#DEFINITION	Reference Metabolome for Leonurus japonicus
#IDENTTFIER	RefMeta-Leonurus japonicus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Leonurus japonicus
#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 Leonurus japonicus 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	1000.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07093	0.4
82.06579	5.7
83.07359	15.9
86.09635	0.3
95.08588	0.4
98.09688	100.0
99.10043	0.5
116.09948	0.4
116.10722	4.6
196.07332	0.3
200.41820	0.2
218.05533	1.0
273.72876	0.2
317.86542	0.2
328.41251	0.2
337.27139	0.3
372.26730	0.2
462.10043	0.2
554.32135	57.1
555.32300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	100.0
72.08148	18.0
74.33379	0.4
76.19009	0.5
86.09697	87.2
96.08118	2.2
98.06047	30.5
98.09677	0.6
104.10732	1.3
112.11275	0.5
114.09157	0.7
124.11196	3.5
126.05505	22.8
138.12779	1.2
140.14333	1.3
141.10249	1.8
143.11784	3.2
148.60257	0.6
151.12314	1.3
157.13420	1.9
164.00133	0.5
165.13969	0.9
167.11786	10.6
167.15401	0.7
169.09698	2.5
169.13391	1.2
171.11279	4.0
171.14873	2.9
177.13823	0.9
183.14915	42.4
185.12839	6.6
185.16467	8.5
185.18050	0.6
193.12166	1.0
195.11272	18.2
197.11284	0.5
197.12894	1.8
199.14442	2.9
209.16486	0.6
210.15955	0.8
211.04327	0.5
211.14398	30.7
212.14032	1.4
213.15945	6.6
223.14331	0.6
233.35179	0.5
239.14008	0.7
239.17641	1.4
245.34413	0.6
262.19205	1.2
266.15213	1.0
270.17984	2.3
280.20282	3.5
282.18515	1.0
282.21872	2.2
284.19659	6.2
284.22620	0.8
294.18243	1.2
294.21582	0.5
298.21298	0.7
307.21362	2.3
308.19653	35.5
310.21216	13.1
312.22800	1.0
325.22324	1.5
326.24542	0.8
335.76215	0.5
338.20764	0.5
338.24387	0.6
341.25693	0.6
351.24084	0.6
353.25714	0.7
355.27219	1.0
361.26059	0.7
369.25006	2.8
379.23093	1.1
379.27069	17.5
381.24808	1.2
383.26489	2.9
395.30258	1.2
397.28143	0.9
405.28928	0.6
407.26508	48.9
423.29825	2.0
450.30975	0.8
466.33917	0.8
478.30060	2.4
482.33408	6.6
492.35385	5.4
494.33652	2.0
496.34952	2.4
506.33575	0.8
520.34906	21.8
521.35571	0.7
563.39545	3.6
568.13184	0.5
581.40149	5.1
591.38593	14.9
593.40363	0.9
595.41553	4.3
619.41766	1.6
633.43958	0.8
662.45953	2.3
690.45422	19.9
692.46710	1.0
694.48798	2.5
704.47418	1.6
718.48383	0.9
732.50232	0.6
761.53601	1.0
775.52606	0.7
789.52203	26.1
803.53876	2.9
844.61731	0.6
860.59814	1.4
866.55945	0.6
888.58984	43.8
889.59546	1.3
902.60699	7.4
973.67029	2.5
1001.67560	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49734	3.4
70.06587	100.0
72.08149	18.6
72.29476	0.6
84.08112	0.9
86.09698	93.1
87.86510	0.9
96.08145	2.3
98.06049	27.8
98.09701	1.2
98.23424	1.0
124.11233	3.8
126.05509	25.5
138.12770	1.5
140.14421	1.0
141.10233	1.5
143.11804	3.0
145.68492	0.7
151.12251	0.7
157.13370	2.8
165.10239	1.0
167.11806	10.3
167.15488	0.7
169.09756	3.1
169.13350	1.3
171.11272	4.2
171.14928	3.2
183.14912	44.2
184.15335	0.7
185.12843	6.1
185.16461	8.9
195.11261	20.1
197.12927	2.3
199.14433	2.6
199.18301	0.8
210.15891	1.2
211.14401	34.0
212.13989	1.4
213.15977	4.9
226.92393	0.7
239.17477	2.0
268.16718	0.9
270.18121	1.9
273.61423	0.9
280.20242	3.1
282.18277	1.4
282.21866	2.0
284.19522	5.6
298.21088	1.2
307.21332	2.5
308.19656	37.6
310.21210	11.7
325.22363	1.4
338.24420	0.8
339.57135	0.8
353.25546	0.7
355.26941	1.1
369.25143	2.1
379.22415	1.0
379.27063	15.9
381.24915	1.4
383.26624	3.0
397.28003	1.0
406.28470	0.8
407.26514	47.9
423.29721	1.6
424.28879	1.0
433.28058	1.0
450.30875	1.2
478.30426	2.5
482.33325	7.2
492.35776	4.1
494.33466	1.8
496.35052	2.3
520.34924	24.2
563.39325	4.5
577.37018	1.3
581.40033	5.1
591.38507	18.5
595.41681	5.6
619.41937	2.0
633.43414	1.3
662.46381	1.9
690.45398	24.3
694.48828	4.1
696.30103	0.8
718.48193	1.3
789.52246	29.9
790.52661	1.1
803.53925	3.7
860.59271	1.4
888.59052	49.4
889.60138	1.9
902.60449	9.0
973.67389	3.3
1001.67389	23.1
1002.66925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40762	0.3
71.01342	0.3
71.04983	0.3
76.62757	0.2
81.03421	1.2
83.04975	46.9
85.02898	98.3
86.03240	0.2
87.00821	0.8
87.04458	1.5
89.03890	1.2
91.05463	0.4
95.04966	0.2
97.02884	1.9
98.23307	0.2
99.04466	0.8
101.06002	0.5
104.07082	0.4
105.01849	0.8
109.02866	1.5
111.04433	28.0
114.49009	0.1
117.03371	3.3
119.83489	0.1
127.03908	7.7
129.01790	0.2
129.05469	13.3
134.03635	0.3
135.04391	0.5
135.53008	0.1
145.02834	10.3
145.04877	0.4
149.05974	1.1
151.07515	0.6
153.05435	1.8
159.02911	0.2
163.03918	1.0
165.09100	0.2
171.06509	100.0
172.06821	0.5
177.05453	32.9
186.05569	0.2
195.06491	1.5
213.03931	0.8
231.05302	1.0
231.08609	17.5
235.09837	0.2
237.07756	0.2
259.09653	0.3
277.10626	0.2
279.08566	0.2
285.07596	0.2
291.07077	0.3
303.15753	0.2
321.09659	0.5
323.07587	0.2
325.09198	0.2
339.10712	6.7
341.08444	0.2
345.12982	0.2
347.18192	0.2
392.22845	0.2
401.10672	0.4
407.13379	1.0
419.11768	0.2
425.10760	1.8
569.18250	0.2
587.15521	0.6
655.17883	0.2
737.64276	0.2
817.22742	0.6
1002.74146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42303	0.4
72.08189	0.4
81.03429	1.3
83.04977	47.0
85.02899	100.0
87.00823	0.7
87.04472	0.7
89.03912	1.3
89.66714	0.4
91.05489	0.8
97.02894	1.5
99.04456	0.7
109.81047	0.4
111.04434	27.7
117.03384	2.8
127.03895	6.0
129.05466	13.0
137.05902	0.5
137.47238	0.5
138.92729	0.4
145.02841	10.7
149.06046	0.6
151.07529	2.0
153.05417	1.0
163.03896	0.8
165.09204	0.7
171.06514	96.9
172.06921	1.0
177.05460	25.0
193.08569	0.9
195.06474	1.1
213.04030	0.5
217.08659	0.5
231.08632	19.0
252.47621	0.5
259.09647	0.7
277.10690	1.6
287.09253	0.5
339.10742	5.9
425.10706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6747
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	0.1
72.05640	0.6
72.08146	18.3
73.06519	0.1
73.63662	0.1
79.05498	0.9
81.03403	0.5
81.07042	0.4
95.04966	0.2
96.05738	0.3
96.21507	0.1
97.07640	11.7
98.23425	0.3
100.11237	0.9
105.04486	0.1
107.04945	0.1
108.05723	0.1
109.06509	0.9
109.75698	0.1
111.08074	0.3
113.05952	0.1
114.10274	21.0
121.02830	0.2
122.03623	0.6
124.05193	0.9
134.03596	0.1
137.02301	0.2
139.07535	2.1
139.08569	0.2
141.01823	0.2
151.03908	0.2
152.04659	3.0
154.06226	0.6
156.04137	0.2
167.07022	1.7
169.08598	0.4
180.04221	0.1
182.15379	0.3
185.08044	1.1
191.93108	0.1
194.08044	0.6
195.06499	70.5
196.06874	0.4
209.16374	0.5
210.14883	0.6
212.09183	0.4
213.07617	0.2
224.43890	0.1
226.18982	0.1
267.12292	0.3
309.14465	0.7
309.17575	0.1
311.14719	0.1
314.62317	0.1
326.17041	100.0
327.17258	0.9
434.01389	0.1
490.69931	0.1
505.19360	0.1
661.49945	0.2
679.51056	4.9
680.50952	0.1
791.48053	0.1
952.24591	0.1
1004.66949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	0.8
83.97621	0.8
91.10666	0.6
131.01285	1.0
151.12286	0.5
154.01801	1.4
156.03351	2.0
171.04488	0.9
172.02838	1.0
174.04427	2.2
189.05431	0.6
199.03929	1.0
208.03001	0.5
210.04340	0.7
222.04321	0.7
223.07637	1.3
225.09103	0.6
233.06230	0.9
235.07637	0.8
239.07150	1.1
243.04405	1.1
249.02211	0.7
251.07243	0.9
257.06290	0.8
261.05441	0.9
265.04926	0.8
266.08176	4.3
268.09705	3.0
269.07983	0.8
275.07144	0.8
276.06705	0.8
279.10123	0.6
284.09387	1.0
294.07321	0.9
296.09308	1.2
300.06750	0.7
302.08530	0.8
306.11453	1.2
322.11038	0.8
346.14331	0.6
366.17044	0.9
379.11246	2.0
381.12790	2.4
399.13766	0.9
407.16296	1.7
420.19400	2.4
436.70352	0.7
476.22443	0.8
494.21732	0.7
499.16837	0.6
566.22021	0.7
567.26318	1.4
589.24750	1.9
690.84454	0.7
726.29578	0.8
883.35425	1.7
901.35773	100.0
902.36298	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	1006.6069
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02945	1.5
70.06587	96.8
70.62749	1.5
70.63074	0.9
72.08141	1.3
81.64082	0.7
86.09701	5.6
86.71013	0.7
87.05578	6.9
96.55089	0.8
98.06048	31.3
107.08581	1.3
115.08681	1.1
120.08099	6.4
124.11227	3.3
125.07118	4.2
126.05497	22.1
128.68454	0.9
138.12772	15.0
138.61575	0.8
139.08685	2.0
140.14342	0.9
151.07550	0.8
153.06577	0.9
154.15904	1.3
167.08157	10.5
167.11801	5.7
172.11182	3.1
181.74554	0.9
181.94310	0.8
183.14908	2.5
184.10770	5.6
185.16469	1.6
193.12071	1.2
195.07668	6.7
195.11296	10.9
211.14464	1.8
212.10280	21.1
217.13351	14.2
233.16400	1.4
245.12816	13.5
254.12923	1.5
264.13486	4.7
272.14832	1.0
281.16034	5.2
291.14691	1.8
292.12939	1.6
297.12296	2.9
309.15573	17.5
314.15033	1.7
325.12042	1.6
334.71353	0.9
342.14389	2.3
358.21140	5.2
359.16837	1.3
361.18793	1.6
378.21240	3.1
389.18069	2.4
406.20782	13.2
428.23172	1.9
439.19580	1.8
446.05182	1.1
455.26089	1.0
457.28076	1.2
508.25348	1.1
519.28979	1.1
525.28223	5.7
536.25488	0.8
553.27386	3.7
569.29968	1.5
570.36066	1.3
638.36572	4.5
650.32788	1.1
666.35736	2.8
735.41443	1.6
746.38098	1.3
763.41809	4.4
765.42419	1.6
859.23920	1.1
862.47772	5.2
876.48981	1.4
878.51129	1.8
930.53387	1.2
947.57086	6.6
958.53955	7.8
975.56555	100.0
976.55963	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	1007.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66665	0.5
80.95578	0.5
81.03426	0.7
83.04984	2.4
85.02898	4.6
89.03909	0.7
91.05475	3.7
95.04971	1.0
97.02885	0.6
98.22752	1.1
109.02897	0.6
111.04449	1.7
117.03407	1.2
119.04945	1.9
129.05515	0.8
136.05240	0.7
145.02841	4.2
149.02176	0.7
151.07526	4.4
163.03995	0.7
171.06516	1.1
177.05434	5.4
193.04677	2.3
211.05914	1.3
227.05505	0.6
245.06476	2.2
287.07446	1.2
313.09097	0.9
317.09976	0.6
329.08392	5.1
329.14786	0.5
335.11057	1.2
343.10101	1.3
353.08472	0.6
355.09940	0.6
371.09583	0.6
390.55695	0.5
445.99466	0.5
497.16354	0.8
521.16846	0.9
529.16943	3.4
539.17499	1.0
547.84937	0.5
553.95435	0.5
557.16766	0.9
565.19684	0.6
691.22083	3.1
733.22809	6.8
759.24854	6.2
777.21875	8.4
787.24011	1.2
839.22369	1.9
921.29761	5.5
963.30945	61.5
964.31665	1.4
1007.29932	100.0
1008.29327	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	1007.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12357	1.0
70.12694	0.8
72.25633	0.5
81.03451	0.8
83.04974	3.3
85.02899	4.2
87.14494	0.6
91.05470	4.3
93.28049	0.6
97.02899	1.2
111.04441	1.1
115.92443	0.6
117.03448	1.7
119.04971	2.1
136.07683	0.6
137.06027	0.6
145.02866	3.6
149.02109	0.6
151.07489	3.7
171.06561	1.2
177.05464	4.4
193.04739	3.3
211.05740	1.1
227.05255	0.7
245.06450	2.0
271.07919	0.7
287.07593	1.7
299.09470	0.9
301.09033	0.6
313.08875	1.2
317.09967	0.9
329.08237	4.0
343.10226	1.2
353.08951	0.6
371.09201	1.0
378.67603	0.5
479.15143	0.7
497.16458	0.6
529.16595	2.9
539.17462	2.4
557.16699	1.1
565.18945	0.7
691.22205	3.0
733.22803	6.5
759.24756	6.4
777.22083	7.4
787.24109	1.4
839.22668	1.3
903.28955	0.9
921.29602	5.8
963.30865	51.6
964.31189	1.8
1007.29889	100.0
1008.29401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98757	0.8
71.44516	1.2
83.05024	1.3
84.10880	0.7
85.02912	3.2
85.72123	0.8
91.05487	1.9
93.94492	0.8
111.04448	1.0
117.03402	0.8
119.04980	0.9
128.33131	0.8
129.05559	0.9
145.02919	2.9
151.07616	3.2
163.03920	2.0
169.51788	0.8
177.05548	3.3
193.04776	4.1
211.05798	1.3
219.06371	1.1
317.09979	2.3
335.11154	2.3
353.12112	1.1
361.09030	0.8
384.53125	0.9
395.13458	2.3
397.11459	1.2
428.91794	1.0
439.11942	5.0
440.12000	0.8
529.16919	15.1
565.19275	2.5
591.17157	2.0
699.22473	1.9
733.23187	1.6
738.76453	1.0
757.23450	0.9
759.24622	39.5
760.24243	1.0
766.88593	0.8
777.22058	7.3
787.24438	1.1
799.89252	0.9
869.40814	0.9
921.29901	3.0
963.30981	52.1
964.30896	2.0
1007.29883	100.0
1008.29919	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	1007.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	0.4
71.04974	0.2
73.02908	2.2
79.05496	1.8
81.03427	1.2
81.07053	1.9
85.02908	3.1
87.04483	0.3
91.03958	1.8
91.05477	1.9
93.07050	1.9
95.04980	0.6
95.08636	0.9
97.02888	3.4
97.06496	0.4
99.04459	0.6
101.02404	1.0
103.03970	0.3
105.07029	1.1
107.08613	1.0
109.02879	0.4
109.10152	0.3
115.03982	0.4
117.07030	0.6
119.08595	0.9
121.10206	0.6
127.03944	0.9
131.08591	0.7
133.10165	0.8
135.11732	0.4
139.67068	0.2
145.10146	0.5
147.11725	0.4
173.98796	0.2
185.04289	0.6
201.03844	0.4
203.05373	0.6
243.08447	1.9
259.08057	0.3
259.20624	0.3
279.06268	0.2
301.09164	0.4
315.10596	0.2
319.09906	0.3
333.20279	1.1
347.09494	3.2
363.08865	1.4
365.10669	0.9
389.18353	0.2
389.22812	0.5
397.18289	0.3
405.13715	6.5
425.08673	0.2
439.19565	0.4
453.21237	0.4
463.14276	1.2
465.21307	0.5
489.15381	0.3
509.92212	0.2
517.19507	0.3
535.28754	3.2
551.28210	2.6
559.23877	0.3
567.27985	0.4
599.27234	0.3
609.29419	0.2
615.26324	0.4
681.34473	0.6
697.33978	4.1
697.45209	0.4
713.33368	3.0
729.34009	0.4
785.35767	0.6
804.09375	0.3
845.49817	1.1
855.42688	0.3
997.11670	0.3
1007.55377	100.0
1008.55292	4.2
1044.84033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.6121
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	100.0
70.15356	0.4
70.15673	0.4
71.06916	0.4
71.19167	0.2
72.08154	8.4
75.51884	0.2
84.04506	1.6
86.09705	15.9
98.06054	1.4
100.07616	0.3
102.05558	2.5
103.05471	0.4
104.99468	0.2
105.07043	0.5
115.08707	0.5
116.07076	0.5
120.08109	11.2
124.11234	0.6
126.05536	0.6
130.04964	0.3
137.07091	0.4
138.12808	0.6
140.14363	0.9
154.08627	0.3
154.16003	0.3
158.04532	0.3
167.11723	0.3
169.13359	26.4
170.09662	0.5
172.11208	2.1
174.12772	1.6
183.14958	0.4
185.16487	2.0
188.14308	1.4
195.11330	0.4
197.12852	27.1
199.10770	23.9
199.18002	1.6
200.11015	0.3
211.14400	0.9
213.16003	1.5
215.13841	1.6
216.11975	0.2
216.14049	0.3
217.13356	5.2
219.14870	0.2
220.40300	0.2
227.10252	41.7
227.17618	0.8
228.10471	0.6
233.16432	2.3
243.13448	0.8
244.12781	0.5
245.12843	6.6
245.15254	0.4
261.15982	1.7
271.18176	0.7
285.19653	0.6
294.18121	0.8
298.19604	0.3
299.17548	0.4
301.15634	0.5
301.22882	0.3
310.21237	11.0
311.21735	0.3
312.19049	1.8
322.17621	0.5
324.15613	0.8
326.17526	1.3
329.15131	0.8
329.22311	0.3
340.18665	14.7
344.19681	2.5
356.16443	0.4
356.21582	0.3
358.21411	0.5
360.22928	0.5
374.17191	1.4
374.24509	0.4
381.28702	2.7
394.23532	0.6
409.28165	8.4
409.33435	0.5
411.26105	0.8
412.25827	0.6
425.27621	1.5
429.28473	1.4
437.23959	0.4
439.25671	1.1
441.24774	0.3
442.23599	0.5
443.26730	0.9
453.27097	6.5
457.28186	4.9
459.26135	0.3
469.24368	0.4
470.29681	0.3
473.31546	0.9
487.25528	2.7
511.32819	0.5
522.36597	1.7
524.34125	0.5
525.34583	0.3
528.35413	3.3
536.31067	0.4
552.34033	2.7
554.32373	0.3
556.34937	10.6
566.35999	0.4
570.36554	3.5
572.34387	3.9
582.32886	0.6
600.33942	10.9
601.34174	0.3
624.41144	1.3
635.37354	0.9
641.43616	1.0
649.39386	0.7
665.42175	1.3
669.43329	9.3
670.43463	0.5
671.41333	0.4
697.39099	0.7
699.40564	2.3
713.42340	0.6
720.45874	0.6
748.46265	1.9
762.47461	0.6
767.46783	0.5
768.46558	0.8
782.52069	0.5
784.49548	0.4
796.46075	3.1
812.48944	1.5
861.53925	2.6
867.52435	0.5
881.55011	1.0
891.51691	0.3
895.52924	4.0
909.54413	6.6
910.54211	0.5
960.37006	0.3
980.61761	1.6
1008.61249	9.3
1009.61865	0.6
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
58.96159	1.5
60.55966	1.0
60.56290	1.0
64.86208	1.1
70.26721	2.3
70.27088	2.3
79.01853	1.8
82.99841	2.9
83.01485	2.4
100.02481	1.0
101.00877	30.6
101.02537	6.9
102.00952	1.2
102.02209	2.5
104.42986	1.0
119.01914	100.0
119.03635	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
55.84131	0.6
56.05001	0.9
57.03443	0.8
58.96166	0.7
59.95475	0.8
60.04524	1.2
60.95141	1.2
70.36092	0.7
82.99854	1.6
85.02899	2.6
101.00880	24.1
101.02569	2.3
101.07951	1.1
102.05527	1.1
119.01919	100.0
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
55.02995	9.1
56.02216	0.8
56.05033	9.3
57.03436	21.4
57.04557	2.5
58.96162	1.1
59.04991	1.1
60.04531	1.0
70.05333	4.4
70.26481	1.1
71.06122	5.7
73.78236	0.9
74.58363	0.8
79.01089	0.8
82.99807	1.6
83.01487	1.0
83.04843	2.2
84.01675	1.6
84.04507	15.3
84.05623	22.8
85.02901	100.0
85.03963	2.0
98.22767	1.1
100.05100	9.0
101.00874	24.9
101.02580	2.4
101.05880	47.1
102.04259	1.3
102.05550	8.3
103.38264	0.9
119.01916	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	100.0
71.06901	0.3
91.05467	3.2
97.24767	0.3
98.06061	1.2
103.05473	0.5
104.05323	3.9
107.04957	1.1
108.08113	1.8
110.51258	0.3
115.08690	2.3
116.07104	0.6
119.04938	2.0
120.08098	9.7
121.06493	0.4
125.07092	2.3
125.10704	0.4
126.05553	0.7
130.06541	0.8
132.08080	0.5
136.07571	20.4
137.07104	0.6
139.08678	0.8
140.07048	0.3
141.10243	1.1
146.06033	1.6
147.04417	0.8
149.07103	0.4
151.08792	0.4
151.90831	0.3
153.10222	26.5
158.09651	0.3
163.03998	0.3
164.07036	0.4
167.08150	2.9
171.07704	1.2
172.11218	1.5
174.09248	0.6
179.11848	0.4
181.09811	0.6
185.09222	7.7
185.10866	0.6
186.09186	1.4
188.10707	6.4
188.12311	0.4
195.07651	3.1
195.11292	0.3
196.06032	5.8
201.10556	19.7
206.09985	0.8
213.08687	18.5
213.88058	0.3
217.13489	0.5
222.09471	0.3
223.10803	0.4
229.10046	15.5
233.12845	18.0
234.08730	0.4
238.12338	0.9
238.15567	0.4
243.11180	0.4
245.13008	0.4
246.12825	0.6
251.12273	2.2
254.11807	0.6
259.14520	0.6
261.12366	8.1
261.15002	0.5
264.13293	1.6
270.12427	0.9
271.11163	0.3
271.14542	0.5
279.11411	0.5
283.14444	2.3
287.13788	0.4
292.12903	0.7
301.70105	0.3
303.13458	0.8
310.13956	3.3
311.14026	1.3
313.11716	0.3
315.13580	0.3
319.14932	0.5
327.16727	0.8
330.14722	0.6
331.13040	1.0
335.17749	0.8
341.11456	0.5
347.14182	0.3
348.17578	0.4
349.15842	0.4
351.17380	0.6
358.14066	1.7
358.17316	1.4
360.15567	0.4
374.15472	0.5
376.17056	7.2
392.16483	0.5
393.19815	0.7
396.74146	0.3
408.19293	0.9
413.21658	0.5
427.19794	0.4
441.18384	0.7
445.20798	3.9
455.19504	0.9
461.22226	0.9
473.20340	7.6
478.19891	0.6
489.21628	3.1
494.20700	0.4
506.24420	0.4
511.23740	5.2
523.22070	0.9
539.23138	8.3
542.25433	0.5
552.24597	0.5
557.24091	0.6
570.25452	0.4
586.23291	0.4
587.28448	0.5
588.25140	0.8
591.24768	1.0
608.28125	2.2
620.27795	0.4
625.29919	0.7
636.27985	5.5
654.26410	0.4
657.27441	1.7
659.75598	0.3
683.29114	0.5
701.29523	1.7
702.30194	0.5
705.30298	1.4
723.32556	0.6
733.30853	0.9
738.31824	0.7
751.31213	9.3
751.44891	0.5
771.35455	1.8
783.33368	0.9
799.34656	5.9
820.37213	0.5
848.36389	3.1
864.36365	0.5
868.36597	0.4
869.35791	0.5
896.36780	0.6
914.37506	1.1
932.70575	0.3
966.41473	0.5
983.42883	5.7
993.40814	0.8
1011.42749	13.4
1012.42383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39278	0.5
70.39606	0.2
172.98155	0.2
182.94052	0.3
230.67538	0.3
416.16891	0.5
444.16968	0.3
529.25568	0.3
580.32385	0.4
628.32391	0.4
660.29272	0.5
773.37292	1.3
850.45831	0.3
872.44214	1.8
879.40686	0.5
886.46552	0.5
910.61993	0.3
916.49213	0.5
968.49469	2.3
985.52802	3.2
1013.52057	100.0
1014.51935	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	1014.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01338	0.3
71.04990	1.5
73.02913	3.3
79.05466	0.2
81.03385	0.6
83.04985	1.3
83.33354	0.2
85.02412	0.2
85.02902	4.3
87.30087	0.2
89.03931	1.7
90.27259	0.2
94.70187	0.2
95.04939	0.3
97.02888	4.8
99.04433	0.5
99.31812	0.2
101.02348	0.3
105.05665	0.3
106.06529	0.4
107.04936	0.4
109.02859	0.3
111.04416	0.8
115.03917	0.5
115.27497	0.2
117.03353	2.0
118.17394	0.2
122.44317	0.2
127.03889	0.8
129.05470	0.8
135.04414	4.4
145.02864	3.3
145.07571	0.4
151.08623	2.2
157.86765	0.2
160.06273	0.8
161.07089	0.3
161.83664	0.2
163.03897	35.6
164.04199	0.3
173.07104	7.8
174.05420	0.4
174.07774	0.5
181.04971	1.2
184.06355	0.3
185.07057	0.2
186.07915	0.3
187.08670	1.6
191.08142	55.6
192.08487	0.7
205.09727	2.6
206.23093	0.3
214.09747	0.4
215.08121	1.9
227.08211	0.2
230.23666	0.2
232.10789	3.8
233.09198	64.3
234.09543	1.0
247.10764	0.3
250.11856	100.0
251.12170	1.0
257.09302	1.2
265.07550	0.2
274.11795	0.9
275.10345	1.8
292.12973	2.1
299.10260	0.6
307.08099	0.5
316.12930	0.3
325.09134	7.2
341.11377	0.7
358.13843	0.7
359.12485	0.5
360.15628	0.4
376.15085	1.2
379.15128	0.7
382.16104	1.2
395.14505	0.3
396.17664	3.5
410.76712	0.3
412.17084	3.3
424.17181	0.3
528.21710	0.6
544.19855	0.2
557.17456	0.3
568.80249	0.3
574.20294	37.7
575.20526	0.8
706.24713	0.3
720.25995	2.7
736.25763	2.1
852.29034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	7.6
73.02927	3.1
77.03925	3.9
79.05492	86.3
81.03421	21.5
81.07054	100.0
83.04988	15.3
83.08614	22.3
85.02898	10.9
85.06550	3.5
91.03970	4.5
91.05476	81.5
93.07043	80.5
95.04964	23.9
95.08598	50.3
97.02881	11.6
97.06522	23.9
97.10161	21.8
99.04440	5.0
99.08080	4.6
103.05443	5.8
105.04533	7.1
105.07022	67.1
107.04948	19.2
107.08595	60.2
109.02848	3.2
109.06519	11.2
109.10165	25.2
111.08064	5.2
113.09660	3.8
115.05463	4.0
117.07024	32.5
119.08581	46.7
121.06516	8.8
121.10149	29.9
123.08074	6.0
123.11698	4.8
125.09596	17.6
127.03928	8.2
128.06242	5.3
129.06993	12.8
130.07784	2.8
131.08566	37.8
133.06555	3.0
133.10130	35.8
135.08043	9.9
135.11665	19.9
137.09644	3.5
139.07619	3.0
139.11140	3.9
141.07095	5.3
141.82147	2.6
142.07825	5.1
143.08557	8.4
145.06488	4.3
145.10135	30.8
147.08035	3.4
147.11673	22.0
149.09596	24.0
149.13255	12.6
155.08536	7.6
157.10158	13.5
159.11678	23.6
161.13258	9.0
163.11174	14.2
164.45610	2.8
169.10118	7.4
171.10269	4.3
171.11678	10.9
173.04494	5.1
173.11798	3.5
173.13266	12.0
175.11189	3.4
177.12691	6.2
179.14278	4.9
181.10109	3.6
183.11749	4.6
185.13271	7.6
187.11209	4.0
189.11230	15.8
195.13762	6.3
197.13210	6.4
209.13148	3.3
211.14777	3.7
215.14375	3.1
217.15854	3.3
227.12750	31.5
229.14334	8.5
229.19510	6.0
239.17963	7.0
247.20866	2.9
255.15923	15.9
257.19019	24.5
258.11499	3.0
267.15762	4.1
269.17462	42.6
275.20062	82.1
293.21075	6.7
349.23740	78.7
360.25620	3.1
367.24490	6.2
413.21793	4.3
423.27319	5.4
431.28281	3.9
439.27048	4.7
445.29568	5.3
449.29044	20.1
463.30563	24.0
495.34869	3.2
503.33588	3.7
511.34451	4.1
525.35510	8.4
529.35217	15.5
543.36768	64.3
561.37604	6.8
580.66327	3.0
605.41626	3.4
607.34698	4.4
611.80682	2.8
623.35413	2.9
623.43109	30.1
641.43799	12.2
669.39679	3.3
687.40784	4.2
705.41705	4.4
1018.58868	10.3
1019.50568	6.3
1029.91553	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	7.6
73.02927	3.1
77.03925	3.9
79.05492	86.3
81.03421	21.5
81.07054	100.0
83.04988	15.3
83.08614	22.3
85.02898	10.9
85.06550	3.5
91.03970	4.5
91.05476	81.5
93.07043	80.5
95.04964	23.9
95.08598	50.3
97.02881	11.6
97.06522	23.9
97.10161	21.8
99.04440	5.0
99.08080	4.6
103.05443	5.8
105.04533	7.1
105.07022	67.1
107.04948	19.2
107.08595	60.2
109.02848	3.2
109.06519	11.2
109.10165	25.2
111.08064	5.2
113.09660	3.8
115.05463	4.0
117.07024	32.5
119.08581	46.7
121.06516	8.8
121.10149	29.9
123.08074	6.0
123.11698	4.8
125.09596	17.6
127.03928	8.2
128.06242	5.3
129.06993	12.8
130.07784	2.8
131.08566	37.8
133.06555	3.0
133.10130	35.8
135.08043	9.9
135.11665	19.9
137.09644	3.5
139.07619	3.0
139.11140	3.9
141.07095	5.3
141.82147	2.6
142.07825	5.1
143.08557	8.4
145.06488	4.3
145.10135	30.8
147.08035	3.4
147.11673	22.0
149.09596	24.0
149.13255	12.6
155.08536	7.6
157.10158	13.5
159.11678	23.6
161.13258	9.0
163.11174	14.2
164.45610	2.8
169.10118	7.4
171.10269	4.3
171.11678	10.9
173.04494	5.1
173.11798	3.5
173.13266	12.0
175.11189	3.4
177.12691	6.2
179.14278	4.9
181.10109	3.6
183.11749	4.6
185.13271	7.6
187.11209	4.0
189.11230	15.8
195.13762	6.3
197.13210	6.4
209.13148	3.3
211.14777	3.7
215.14375	3.1
217.15854	3.3
227.12750	31.5
229.14334	8.5
229.19510	6.0
239.17963	7.0
247.20866	2.9
255.15923	15.9
257.19019	24.5
258.11499	3.0
267.15762	4.1
269.17462	42.6
275.20062	82.1
293.21075	6.7
349.23740	78.7
360.25620	3.1
367.24490	6.2
413.21793	4.3
423.27319	5.4
431.28281	3.9
439.27048	4.7
445.29568	5.3
449.29044	20.1
463.30563	24.0
495.34869	3.2
503.33588	3.7
511.34451	4.1
525.35510	8.4
529.35217	15.5
543.36768	64.3
561.37604	6.8
580.66327	3.0
605.41626	3.4
607.34698	4.4
611.80682	2.8
623.35413	2.9
623.43109	30.1
641.43799	12.2
669.39679	3.3
687.40784	4.2
705.41705	4.4
1018.58868	10.3
1019.50568	6.3
1029.91553	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	1023.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42854	0.6
73.02928	1.9
79.05511	1.9
81.03431	1.9
81.07059	2.2
85.02900	3.8
91.03976	1.6
91.05499	2.1
93.07070	1.5
95.04967	1.2
95.08621	1.4
95.34869	0.4
97.02902	3.4
98.97622	0.4
101.02407	1.3
105.07070	1.0
107.08599	0.6
109.10136	0.6
113.55711	0.4
119.08636	0.7
121.10158	0.5
127.03971	1.1
131.08604	0.6
133.10179	0.7
136.06186	4.1
145.10110	0.4
176.26962	0.5
201.03764	0.8
203.05376	1.2
215.24242	0.4
243.08456	2.3
291.84564	0.4
333.20407	1.6
347.09430	2.2
363.09149	0.8
365.10797	1.4
389.23166	0.6
405.13644	7.2
421.13126	0.5
439.19626	1.4
453.21060	1.5
490.07080	0.5
551.28259	6.3
601.24377	0.7
615.26605	1.0
662.90558	0.5
713.33386	7.4
861.50714	0.9
925.48114	1.0
928.20319	0.5
1023.54889	100.0
1024.54919	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	1023.6574
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82166	0.4
137.14453	0.3
164.06740	0.3
205.13220	0.5
229.42159	0.3
233.12801	0.5
264.16971	0.9
278.18521	0.9
280.44073	0.4
302.18396	3.3
304.19922	0.5
329.19678	0.7
330.17831	0.6
346.21115	0.4
347.20499	0.4
363.19525	0.3
363.23868	1.3
377.25146	1.8
401.25259	2.4
415.26871	2.1
445.28098	0.6
476.31982	1.7
500.32288	0.4
514.33582	3.4
516.31342	0.4
575.39294	0.9
585.37683	1.1
589.40533	0.5
592.32281	0.3
613.40643	0.9
627.42908	0.3
684.44226	1.2
688.46973	0.8
712.47473	0.7
783.50854	2.2
882.58093	1.7
896.59387	1.3
909.58032	0.5
962.09149	0.4
995.66132	5.6
1023.65656	100.0
1024.65027	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	1029.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07787	0.4
72.08153	6.0
74.06055	1.6
79.63456	0.3
82.06541	0.4
84.04494	1.0
84.08124	0.7
85.04002	1.5
86.09695	8.1
87.05579	5.0
88.04005	0.3
91.05471	11.6
91.44683	0.3
95.04918	0.4
96.08122	0.3
97.03990	0.4
97.07613	0.8
98.02393	0.4
98.06045	45.9
98.23685	0.5
103.05441	1.1
105.07013	0.6
107.04946	2.3
108.08096	1.1
109.07618	0.7
111.09155	0.4
112.03944	1.3
113.03529	0.4
115.08660	1.7
116.07084	3.6
117.06982	0.4
119.04930	7.9
120.08096	19.7
121.06534	0.4
122.06017	0.8
124.11217	23.2
125.07045	0.6
126.05502	32.2
126.08228	0.7
126.09133	7.5
127.04974	0.5
127.08663	1.0
130.06512	3.6
132.08066	0.5
136.07562	100.0
137.07054	1.0
137.07965	0.4
138.12762	22.6
139.08649	6.1
140.14348	0.5
144.08109	0.9
146.06024	1.1
147.04385	2.6
147.09146	0.8
148.07536	0.7
149.06039	0.3
151.12305	2.2
153.06651	0.4
153.10211	1.6
155.08167	2.6
155.11804	0.5
156.08119	0.3
157.06490	0.5
160.07530	0.5
163.08640	0.5
164.07086	1.3
165.10234	3.0
166.12236	0.4
167.04514	0.6
167.08156	10.8
167.11784	13.9
168.28984	0.3
169.13315	1.8
170.09592	1.9
171.11272	7.7
172.07568	1.9
172.11195	20.2
174.12805	0.9
175.08675	3.5
177.10258	1.3
178.11008	1.3
179.11821	1.3
180.10138	0.4
181.09698	17.3
182.10098	0.3
183.14885	1.1
184.11063	1.1
187.14430	1.6
188.07059	1.3
188.10672	0.8
188.14313	0.8
189.10217	0.9
191.08105	1.6
192.11386	0.6
193.09761	0.4
193.12109	2.8
194.12852	1.3
195.07674	1.0
195.11281	14.9
196.65721	0.4
197.12823	3.1
199.08804	0.9
199.10796	4.1
200.07036	4.6
201.10320	0.4
204.11456	0.4
205.09789	0.6
205.16876	0.6
211.14415	1.4
212.10320	0.8
212.14078	1.6
215.11848	0.9
215.13742	0.5
216.06522	0.6
216.11441	0.5
216.13367	0.4
217.09747	4.6
217.13290	2.0
219.14917	2.2
219.18585	1.0
222.16013	0.8
224.10263	0.6
227.95244	0.4
229.13344	0.5
230.11751	0.7
231.11275	0.4
233.09367	9.4
233.12817	63.8
234.12335	11.2
236.13937	0.7
238.12352	0.4
240.17230	0.6
243.11275	0.4
244.10872	0.6
245.09154	1.4
245.12830	2.0
247.10890	0.4
250.11824	4.7
252.13475	0.7
255.14963	0.8
260.10184	0.4
260.14008	0.9
261.08862	2.8
261.12323	37.7
262.11868	4.8
264.13501	1.1
266.18512	0.5
268.16455	0.7
269.12732	0.5
271.10757	1.0
271.18027	0.5
278.11377	12.6
278.14990	2.2
280.16580	1.0
284.19763	0.8
288.09665	0.6
289.11850	0.6
292.12827	0.5
294.18069	3.5
295.16681	0.5
296.15991	2.2
297.12442	1.0
298.17706	0.5
299.13907	1.5
302.14984	0.9
306.10840	0.6
309.15503	0.8
312.13425	0.8
312.16586	0.9
312.19376	1.3
314.15012	1.4
316.16690	0.8
327.16968	1.3
330.14484	5.1
330.18210	3.5
333.19415	0.5
337.22284	0.7
342.14514	1.2
343.17740	0.7
344.15936	1.1
347.17102	7.4
352.16599	0.7
357.15308	1.7
357.19489	0.8
358.13937	1.2
358.17590	20.7
359.17328	0.9
361.18729	3.1
362.14902	0.7
363.13458	0.5
365.21875	1.5
371.00873	0.4
375.16513	38.2
375.20300	3.3
380.16013	2.6
381.25150	0.4
383.20810	1.4
387.16550	0.5
390.14392	0.5
391.23392	0.7
397.18704	0.8
398.24463	0.7
407.17136	1.2
408.15488	1.2
409.19327	0.6
409.24432	2.3
425.18240	1.5
426.23657	0.4
427.19528	4.4
435.16769	0.8
444.22391	11.0
455.19153	9.4
455.25040	0.6
471.24902	0.4
472.21878	37.4
473.21167	1.6
477.21082	2.4
478.24500	0.5
479.22861	1.0
489.24734	1.7
494.23886	6.1
504.22406	0.6
505.21097	1.2
512.28723	0.7
522.23401	4.1
558.32684	0.7
573.28870	1.2
574.26746	3.3
576.28168	1.5
591.29187	23.7
592.28998	1.0
593.30780	0.4
601.27899	0.5
602.25909	2.5
603.28613	0.6
604.27411	0.8
619.28601	17.7
620.29395	0.7
621.30286	2.9
625.33398	0.8
636.31366	0.7
637.34027	0.6
641.36316	1.1
651.35065	1.1
654.35669	1.3
655.34760	0.7
659.35278	1.2
669.36072	3.6
672.36896	2.6
673.33087	2.2
690.35956	11.5
700.34949	0.5
701.32782	8.7
718.35498	54.2
719.35760	1.5
732.36975	1.8
738.37695	0.8
755.41187	0.5
765.38965	0.6
766.37238	1.7
783.40332	3.9
786.41693	1.1
798.38727	0.5
803.44183	0.6
814.41388	0.9
815.40619	1.3
831.43884	6.2
832.42938	0.5
833.41559	0.4
843.68793	0.5
882.46875	0.6
886.44849	0.9
888.44934	0.7
895.42517	0.6
897.45490	0.5
898.43787	2.2
899.42645	0.6
902.47693	1.7
912.45746	1.3
913.44147	3.7
914.47101	1.3
915.46942	1.0
916.45575	5.6
930.47156	10.3
932.48328	1.0
957.52234	2.0
967.53137	0.6
968.48920	1.9
983.54022	3.0
984.51953	3.2
985.51379	6.9
994.50165	3.8
1001.54474	25.1
1002.53516	1.2
1011.52954	21.4
1012.51404	13.8
1013.51141	0.8
1029.53931	70.7
1030.54138	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	1.0
50.33202	0.4
51.02376	3.1
53.03945	10.4
58.06596	3.8
59.04998	0.6
59.07365	0.9
59.43964	0.5
60.08162	43.4
60.95860	3.9
62.20391	0.5
69.03432	3.9
70.74293	0.7
74.43023	0.5
74.54355	0.5
77.03928	14.6
81.03414	1.1
82.37872	0.5
84.03353	0.5
86.06059	1.9
87.04459	8.2
89.78086	0.5
91.33727	0.5
95.04965	56.8
96.05281	1.1
102.04674	5.2
102.96877	1.9
103.05464	100.0
104.05802	2.9
104.10738	91.8
105.04510	23.8
106.04848	0.5
120.97901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08150	2.5
78.19759	0.5
79.05077	0.6
81.43198	0.6
84.08138	2.3
86.09699	100.0
90.44908	0.6
91.05484	5.4
98.06047	42.8
98.23350	0.6
104.00846	0.6
105.27676	0.5
107.04894	1.2
112.07595	7.2
114.09143	1.1
115.08657	1.3
116.07084	1.1
119.04935	4.6
120.08092	1.0
121.06488	0.7
124.11221	8.1
126.05508	34.5
126.09138	0.9
136.07571	56.2
137.07932	1.2
138.12790	2.6
139.08694	1.2
151.12329	1.8
157.09706	11.9
158.84282	0.6
165.10318	0.8
167.08083	3.3
167.11787	14.2
169.13326	0.7
177.10246	1.4
178.10992	1.2
181.09711	0.6
183.14911	50.4
185.09206	9.3
186.09157	1.7
188.10709	6.1
190.12270	0.9
193.12117	1.8
194.12910	0.9
195.07611	0.7
195.11287	20.2
195.13002	1.3
197.12921	1.8
201.12404	2.1
204.13954	1.0
211.14401	29.9
212.13901	1.0
213.08762	1.3
224.10272	0.8
233.12811	15.4
233.14905	0.9
235.14471	1.4
237.12404	0.7
242.30472	0.7
246.24292	6.3
249.15945	10.4
253.15562	0.8
256.12723	0.7
261.12317	9.2
262.19061	1.5
264.13510	0.9
277.15555	2.7
280.16840	0.9
280.20291	2.6
281.54715	0.6
282.14594	1.6
298.17654	1.8
302.15359	0.7
307.21292	1.3
308.19672	28.1
320.16055	0.9
325.22501	1.8
330.14575	1.3
332.19873	0.9
346.21420	1.8
348.15527	4.2
357.18582	0.6
358.17755	2.5
360.19250	2.8
364.18866	1.4
374.20599	6.8
375.16769	0.8
395.22998	0.8
419.23151	1.5
431.51651	0.6
443.26566	12.9
443.32370	0.9
447.22418	4.3
457.24747	0.8
459.29532	1.0
461.24304	1.1
471.26013	29.5
488.29004	1.2
544.27692	1.1
556.35022	6.3
560.30786	1.3
584.34381	30.9
610.28687	1.8
624.30450	0.9
626.35779	0.7
643.38306	1.2
653.36688	4.0
667.38458	2.2
671.37543	21.8
683.41315	1.9
695.37640	2.4
705.36829	0.9
719.36041	1.0
723.36969	10.8
725.42310	0.9
752.43372	0.7
768.42139	0.7
785.49298	0.8
830.44788	1.2
831.42963	0.7
903.49786	1.7
917.48145	3.3
931.48999	11.8
933.50366	1.1
1002.56439	16.4
1012.53754	2.7
1030.55920	64.8
1031.55359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
77.63976	0.3
88.59051	0.3
92.04752	0.6
120.08090	0.5
136.07539	0.5
137.06905	0.4
149.06882	0.3
150.07664	0.3
161.06863	0.7
163.08484	0.8
175.08522	1.0
182.02524	0.6
201.10667	0.3
204.06306	0.4
214.04732	0.7
219.09840	0.4
223.08742	0.5
233.12859	0.4
253.09520	0.4
255.11082	2.3
269.09354	0.4
296.13635	0.3
301.11777	0.6
309.12463	0.3
326.14926	1.0
327.11542	0.8
338.14502	0.4
352.16574	1.1
353.10480	0.3
365.16089	0.5
368.14066	0.7
370.15549	3.2
379.17508	0.4
398.16763	0.4
414.14511	0.4
423.19946	1.8
425.16690	0.5
427.17783	0.5
435.20056	2.7
437.21756	0.4
447.20096	0.5
453.15536	0.5
467.19617	0.6
469.25674	0.3
473.21704	1.9
483.20328	5.4
483.26657	0.5
510.21967	0.4
528.22882	0.4
531.20483	0.5
533.21887	3.7
545.20642	0.3
556.25598	0.5
570.27441	0.5
581.20221	0.5
584.28821	0.7
604.25995	0.7
614.25629	0.3
628.25861	0.6
630.27216	13.1
631.27643	0.5
657.28650	0.7
658.26074	0.5
675.29456	0.9
685.27966	0.4
701.30573	3.5
728.27618	0.6
773.30695	0.3
793.33459	6.9
793.47253	0.5
890.39148	0.5
935.41071	0.9
961.42377	3.2
1033.40894	100.0
1034.41052	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	1034.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
72.05625	0.6
72.08150	19.6
73.06538	0.7
81.97831	0.2
82.04175	0.3
85.02892	1.1
90.09172	0.6
93.03408	0.4
95.04961	0.4
97.02852	0.3
97.07645	13.0
108.02077	0.2
110.03651	0.8
111.04410	0.5
114.10279	22.1
115.08662	0.7
125.06007	0.5
132.11314	6.5
137.06000	0.2
138.03149	0.5
140.04752	0.5
142.02609	0.4
145.02881	0.4
153.05431	1.2
153.17519	0.2
163.03889	1.0
164.04208	0.4
171.06493	2.4
177.05455	0.3
180.06491	0.3
181.04936	65.7
182.05301	0.7
198.07706	0.2
199.06078	0.2
253.10606	0.5
295.12839	1.0
297.13174	0.2
312.15491	100.0
313.15796	1.6
502.40613	0.2
720.40540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	4.4
75.04443	0.3
81.03401	2.0
83.04974	2.7
85.02896	9.1
87.00824	0.9
89.03904	4.5
91.05473	0.8
95.04964	0.3
97.02882	6.6
99.04456	0.7
101.02359	0.2
103.03960	0.3
103.05463	0.3
105.01855	1.1
105.07030	0.5
109.02849	1.5
111.04451	1.7
115.03896	1.2
116.00467	0.2
117.03371	10.5
117.04206	0.5
119.04903	0.4
127.03913	3.0
129.04616	0.2
129.05461	1.3
133.04994	0.4
133.06467	0.3
134.03648	0.5
135.04395	1.0
137.05954	2.8
138.60835	0.2
139.03827	0.4
145.02832	37.5
146.03113	0.4
147.04437	0.3
147.06505	0.9
147.08073	0.2
149.05975	4.1
151.07518	0.9
157.06473	0.6
159.02861	0.4
161.05974	0.7
163.03893	1.8
165.05444	1.1
175.07526	0.5
177.05449	100.0
178.05768	0.8
179.07030	2.1
186.05457	0.5
189.03929	1.0
189.05486	0.4
195.06485	1.8
199.07573	0.3
203.07010	1.0
213.03867	0.5
217.08522	0.3
221.08107	1.6
225.07504	0.6
227.06940	0.3
231.04973	1.1
243.08582	0.7
245.08102	1.9
249.06067	0.3
261.09610	0.4
263.09125	3.0
279.10812	0.4
305.09909	0.4
309.09558	0.8
315.10580	0.5
321.09726	0.8
323.11047	1.0
339.10706	29.1
340.10934	0.4
349.09045	0.9
367.10172	1.2
385.11108	0.9
421.89261	0.2
425.10745	2.3
485.16205	0.4
587.15533	0.3
650.57013	0.3
691.95587	0.3
769.20148	0.3
993.54449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.716
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09693	100.0
86.98858	0.5
87.10017	0.5
92.13392	0.4
98.06042	2.5
98.09683	1.1
100.45956	0.4
103.05433	1.3
105.06987	0.5
112.11230	0.5
114.09105	0.7
115.08640	0.6
120.08089	35.3
126.05471	1.0
129.56999	0.4
138.12750	3.8
140.85718	0.4
150.57152	0.4
154.15892	13.0
154.17152	0.7
165.13872	0.8
172.11192	1.3
183.14902	80.2
184.15280	1.1
188.14285	4.6
193.13332	0.6
199.18027	20.5
209.16545	0.7
211.14381	77.2
212.14902	0.8
217.13330	1.3
227.17509	26.6
228.16985	2.4
233.16454	17.3
237.15945	0.7
245.12886	1.6
251.21124	4.2
255.16937	0.6
261.15970	13.6
267.24231	4.8
278.22498	0.5
279.20667	2.6
285.19580	2.2
295.23727	4.6
296.23169	2.5
301.22729	3.9
305.78488	0.5
306.21814	1.6
307.20041	0.6
307.72113	0.4
313.19229	1.1
322.24780	0.8
324.22763	44.2
329.22278	4.4
340.25891	6.4
341.25415	1.2
358.21381	2.3
364.29254	0.5
374.24326	13.6
392.29080	1.8
408.32199	1.7
409.31665	9.9
426.27560	1.0
437.31152	31.1
438.31320	0.6
442.30515	3.7
443.30148	1.4
453.34351	3.3
454.33975	0.8
459.33340	4.3
471.29520	2.3
481.34131	0.7
487.32755	21.0
488.33301	0.6
505.37469	1.7
511.36661	0.5
522.40112	7.6
539.35944	0.9
550.39581	37.4
551.40222	0.9
555.39056	4.6
556.38525	1.6
566.42401	1.6
572.41766	4.4
582.40527	0.6
584.38129	6.6
600.41101	24.1
601.41357	0.7
618.45355	2.4
635.48523	3.8
652.44080	1.7
663.47919	24.5
664.48633	0.6
668.47400	4.5
669.46838	5.4
685.50067	2.2
697.46326	42.4
698.46899	1.4
713.49500	13.0
731.54364	2.2
743.18616	0.5
748.56610	1.5
765.52679	3.4
766.52319	0.5
776.56250	17.4
777.56146	0.9
781.55408	1.1
782.55267	7.1
810.54706	75.9
811.55219	3.4
826.57642	2.4
878.61005	3.5
889.64697	2.4
895.63458	7.6
905.61676	0.8
923.63110	65.4
924.63751	3.6
991.67804	0.9
1008.71631	2.0
1036.71436	9.3
1037.68848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.8
59.07378	1.7
60.08161	47.3
61.08486	0.6
69.03440	0.5
69.88358	0.5
69.88735	0.5
82.22225	0.2
86.06052	0.3
87.04466	1.3
99.74552	0.2
104.10738	100.0
105.11067	1.6
117.12486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26279	0.1
58.06298	0.3
58.06593	5.0
59.07370	1.6
60.08158	46.5
61.08490	0.4
70.90903	0.2
76.28051	0.1
86.09688	0.2
87.04446	0.3
104.10732	100.0
105.10414	0.2
105.11055	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.6407
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05507	0.2
81.07050	0.3
82.06573	3.2
83.07353	7.8
86.09697	30.2
89.35481	0.2
92.71362	0.1
93.07050	0.3
95.08614	0.3
96.08146	0.3
98.09682	78.2
98.98451	4.4
99.10024	0.5
102.32431	0.1
104.10725	3.8
109.10162	0.2
116.10719	4.3
124.99992	20.5
143.01077	0.2
169.31155	0.1
184.07323	100.0
185.07680	0.6
196.07320	88.7
197.07600	0.5
198.08858	0.4
210.08908	0.6
229.59567	0.2
258.11017	0.2
270.10886	0.2
279.21536	0.2
284.69977	0.2
335.25488	0.2
401.12173	0.1
500.31177	1.8
512.31256	1.3
514.40942	0.2
518.32379	23.1
519.32800	0.6
530.32379	21.9
531.32538	0.4
544.33752	0.5
600.62915	0.2
713.38483	0.4
936.17792	0.2
1047.63708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00640	4.4
76.02226	18.9
76.03993	5.3
77.99216	1.4
79.05495	12.7
80.05023	10.7
81.03413	5.6
81.05801	3.8
81.07060	15.9
82.06576	2.9
83.06104	9.0
83.08593	3.0
84.04501	45.3
84.05010	2.6
85.01125	45.2
85.02896	2.5
85.04002	4.1
86.00651	33.9
86.12905	1.4
86.99049	48.9
87.02668	1.7
87.63233	1.3
88.02206	6.8
91.05466	10.4
92.01699	2.2
93.07042	12.9
95.04968	6.0
95.08591	11.2
96.04491	4.5
97.01105	11.5
97.02877	2.4
97.10158	3.8
98.00639	5.9
98.06052	3.2
99.05557	2.0
100.02197	8.4
102.00134	1.8
102.03073	1.7
102.03761	31.5
102.05536	17.7
104.02315	1.4
105.07034	5.8
107.04913	2.2
107.06084	2.1
107.08603	7.3
108.04482	2.6
109.07627	5.0
109.10154	4.6
110.06074	1.6
112.02190	29.4
112.03945	4.9
113.00573	5.2
114.00043	1.8
114.03738	14.8
115.02110	2.4
116.01674	27.8
117.07034	2.7
119.08549	4.2
121.10159	5.6
124.02167	4.3
125.09634	2.7
126.03731	4.2
126.05514	4.3
128.07094	2.0
129.06573	9.9
130.03249	14.2
130.04982	23.9
131.04559	4.5
131.08566	2.2
132.01218	2.3
132.04761	2.0
133.10080	2.4
134.06035	3.4
135.05510	2.5
135.11711	2.7
136.04028	2.2
138.05460	1.6
140.01625	5.5
142.03204	46.0
142.04926	2.4
143.02747	37.0
143.04459	2.6
144.01128	7.9
145.06079	6.3
145.10110	2.9
147.11664	2.1
152.01642	3.2
153.06558	4.9
155.08154	9.5
156.06522	9.9
158.02724	8.0
162.02214	11.8
163.11087	2.4
164.07001	1.8
168.04776	7.0
169.04327	5.6
170.02693	6.8
171.02182	7.2
173.09280	3.8
176.07101	2.0
177.03267	14.8
179.04865	17.2
181.06107	7.4
184.06036	2.4
185.03804	4.1
187.05415	1.9
188.03787	7.8
189.03281	100.0
193.12207	2.9
196.04326	9.7
199.05351	3.6
199.07100	3.9
205.04465	2.4
205.06416	41.3
208.06039	3.3
211.07133	1.7
211.13272	2.4
215.04837	37.7
217.06390	4.3
224.03711	4.1
227.04817	4.7
231.04395	7.5
231.07939	2.6
232.05135	2.5
233.05901	38.4
241.06384	3.1
243.04236	2.5
245.05914	16.4
248.11089	1.7
259.07495	7.1
261.22098	2.3
266.11957	8.6
267.15875	4.3
269.05899	4.2
275.11179	2.2
284.13016	3.5
287.06931	19.5
299.06900	4.5
306.07498	3.8
307.08246	5.7
308.09119	5.9
312.12366	1.9
334.10690	28.9
335.25769	22.0
340.15662	1.8
341.15201	3.0
345.07462	2.3
362.10141	65.2
392.10657	1.9
443.18329	2.2
461.19315	3.7
528.59900	1.8
618.37408	1.7
636.39105	1.9
639.11951	1.5
703.39734	2.8
721.40656	13.1
739.42114	18.7
755.23651	1.8
757.43243	13.5
775.40771	3.3
793.42004	6.4
811.44434	7.3
868.46320	12.9
886.47125	64.3
887.46362	2.8
939.18451	2.1
1048.52283	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03953	5.0
53.75021	0.5
61.08493	0.7
65.03928	1.4
69.40737	0.5
70.62310	0.7
70.62627	0.6
77.03926	6.2
79.05489	52.1
80.05835	0.8
86.33769	0.6
87.00823	16.6
89.30006	0.6
91.05441	0.6
95.04962	26.5
97.51717	0.5
98.46817	0.6
103.05466	32.1
104.05782	0.6
105.01864	1.0
105.04523	11.7
105.07024	100.0
105.11076	2.5
106.06564	1.9
106.07372	2.0
116.65742	0.6
118.06504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.95513	0.7
51.02371	2.1
52.56439	0.8
53.00303	1.0
53.03944	5.5
53.04155	0.9
57.45578	0.9
59.64462	0.7
60.23466	0.8
65.03925	2.8
65.94243	0.7
66.37559	0.7
70.29524	0.8
71.43472	0.8
76.89173	0.8
77.03922	7.8
79.05489	48.5
91.05476	1.6
95.04346	1.0
95.04960	25.3
103.05460	30.3
104.31876	0.7
105.04528	10.8
105.07024	100.0
106.06532	1.6
106.07358	1.9
112.40114	0.8
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	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.43514	0.6
51.02373	1.3
53.03946	5.2
57.19918	0.5
63.99468	0.5
65.03938	1.2
68.23471	0.5
77.03925	10.5
79.05489	53.3
80.05820	1.0
81.03423	0.7
82.28545	0.5
90.65861	0.5
95.04966	26.9
103.05463	35.8
104.05739	1.1
105.04525	10.1
105.07024	100.0
106.07357	3.1
119.27121	0.5
123.80760	0.6
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
51.02371	2.8
51.93103	1.0
53.03942	4.6
57.25249	0.8
60.08157	1.4
61.08474	1.0
61.91188	0.8
65.03923	2.0
70.26694	0.9
77.03909	6.3
78.91735	1.0
79.05486	49.8
80.05824	0.8
87.00813	2.5
91.05479	2.9
95.04960	30.3
103.04763	1.6
103.05456	32.7
104.05740	0.9
105.04504	13.0
105.07019	100.0
105.11069	3.7
106.06593	1.7
106.07362	2.4
106.31858	0.8
124.93310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6717
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	0.1
80.90107	0.1
80.97441	0.1
81.07045	0.3
82.06568	2.5
83.07351	7.3
86.09694	25.8
95.08588	0.3
98.09680	70.0
98.98448	3.3
98.99086	0.2
99.10023	0.4
104.10729	3.4
116.10709	3.4
124.99989	18.5
135.65544	0.1
143.01019	0.3
163.01398	0.1
184.07318	100.0
185.07640	0.6
196.07315	85.6
197.07713	0.6
198.08899	0.3
210.08926	0.6
230.45662	0.1
258.10840	0.2
337.27173	0.2
410.42996	0.1
502.32816	2.0
514.32892	1.6
515.33997	0.1
520.33936	24.6
521.34174	0.5
532.33923	21.9
533.34259	0.6
533.41400	0.1
534.35754	0.3
546.35455	0.2
554.32367	0.3
715.40167	0.3
1051.67139	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	1052.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
81.09895	0.2
87.93285	0.2
88.74126	0.2
90.06888	0.2
92.04792	0.4
95.52112	0.2
114.68096	0.2
115.90372	0.2
138.05281	0.5
150.07690	0.2
165.10147	0.3
177.10054	0.3
189.10109	0.6
191.11530	0.2
203.11653	0.3
205.13185	0.5
214.04869	0.5
223.39951	0.2
233.12816	0.5
234.12196	0.4
255.11192	0.9
259.14362	0.7
271.14301	0.3
274.15405	0.4
300.16788	0.3
302.18329	4.7
312.13348	1.0
324.13361	0.3
329.19583	0.4
330.17911	0.7
333.19119	0.4
345.18875	0.4
354.17886	1.2
368.19620	0.3
370.21259	0.5
373.22452	0.3
380.15948	0.4
401.25314	3.1
411.19897	1.4
422.20654	0.4
425.16412	0.3
425.21353	1.2
427.23758	0.3
437.22018	0.3
441.20963	0.5
451.23438	0.4
458.27805	0.3
463.23480	0.4
465.24692	3.4
481.28461	0.4
484.25769	0.3
493.24332	0.4
497.24005	0.3
506.27332	0.3
509.27942	0.2
524.28516	0.7
535.29376	0.3
548.29041	0.4
554.29785	0.4
564.32214	1.4
575.29541	0.3
576.32062	0.4
578.33209	2.9
588.27991	0.5
590.29004	0.4
597.81982	0.3
618.28973	0.3
619.34894	0.3
647.35199	0.3
649.35760	0.2
659.35760	0.3
661.36920	2.3
665.36914	1.2
677.40033	0.7
687.34955	0.3
717.36139	0.5
718.39874	0.8
748.40363	0.4
764.43494	0.5
824.43005	1.2
881.45294	0.6
895.46204	1.2
911.47302	0.5
925.48480	0.9
937.51917	1.0
994.53925	2.9
1006.54309	0.9
1022.52734	1.9
1024.54419	3.1
1034.53308	0.8
1052.54138	100.0
1053.54480	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	1057.7017
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06091	2.5
74.28711	1.1
74.29130	0.9
82.06583	1.2
84.04513	1.3
84.08169	1.0
86.09701	68.8
98.06049	65.2
98.23335	1.4
100.07658	1.1
115.08691	1.8
123.23827	0.9
126.05502	52.6
126.09133	12.4
127.08739	3.1
138.12775	24.9
138.13824	1.3
140.14388	1.2
151.12392	2.7
152.10751	2.2
153.10275	3.2
154.15985	4.2
155.08107	4.6
165.10303	2.0
167.11807	25.2
167.13216	1.5
169.13347	76.5
170.13789	1.1
171.11281	9.9
177.10220	1.9
178.11024	1.6
181.09740	8.1
181.13390	2.2
183.14915	59.5
185.16605	3.1
187.14505	2.7
193.12071	2.3
195.11284	40.2
195.15053	3.2
196.14545	1.1
197.12846	51.4
199.10745	9.0
199.18056	7.7
206.75310	0.9
207.11530	1.3
209.09131	4.8
211.14403	55.3
212.14127	1.9
213.16049	1.6
215.14018	4.2
223.14499	2.4
225.12401	1.1
227.10341	3.5
227.17618	6.6
239.17877	1.1
248.17711	4.2
250.15630	2.7
251.14076	1.1
251.21323	1.2
252.13574	1.9
266.18585	8.3
267.24353	1.1
268.16708	1.1
278.15149	1.9
282.21851	2.1
293.19885	1.9
294.18094	57.4
296.16266	2.1
296.19882	2.4
296.23343	1.8
298.17767	1.2
307.20340	1.4
308.19913	3.5
310.21176	11.2
311.21021	1.3
312.19119	12.6
322.17575	1.1
323.20853	1.4
324.22787	17.4
340.26410	1.5
351.20462	1.2
361.26160	1.7
362.24634	1.8
367.23575	1.5
377.21954	1.9
379.27014	16.0
383.26678	1.8
391.23834	2.0
393.24924	6.9
395.22855	2.7
397.28348	2.7
407.26483	47.9
409.31885	2.8
411.26291	3.4
425.27597	4.8
437.31223	15.8
464.28894	3.3
480.32104	4.0
490.30237	17.9
490.36646	1.5
492.35880	1.2
508.31299	51.6
520.34961	5.4
522.40405	2.4
528.21869	1.0
529.93060	1.2
538.36041	13.6
550.39642	17.6
570.63458	1.1
587.36023	1.4
603.39050	2.5
605.37195	1.3
621.39435	5.0
623.44958	3.9
633.43488	8.5
647.44806	2.0
651.44348	31.2
663.49323	1.3
689.45135	1.3
690.45874	3.8
718.44775	7.8
734.48633	7.3
735.48016	1.6
746.51819	5.5
764.52539	18.9
803.54205	4.4
813.52637	2.7
831.53351	21.0
831.68005	1.8
847.56897	2.4
916.62408	2.3
926.60815	3.4
944.61761	52.9
945.61664	1.5
1013.68237	1.8
1029.70471	8.7
1039.68970	8.9
1040.70532	1.2
1057.70154	100.0
1058.70142	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	1060.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
79.68026	0.5
82.06602	0.8
86.09699	12.5
86.96657	0.7
92.73048	0.5
94.06584	0.9
96.08127	14.5
98.06048	65.8
98.09702	0.8
98.23454	2.2
101.07193	0.6
104.05324	26.2
108.08113	2.4
112.07615	1.0
114.05562	0.6
115.05491	0.7
115.08713	1.4
116.07117	0.6
125.07163	0.9
126.05509	52.8
127.08730	1.5
130.06526	9.1
132.08093	4.0
135.09250	0.8
138.12772	7.7
141.10201	3.5
144.08160	1.9
149.10857	0.6
151.12250	3.2
153.10219	33.7
155.08113	3.7
156.08086	0.6
159.09157	16.7
164.14424	0.9
165.10210	2.4
167.11790	16.1
168.08153	1.7
169.07668	1.3
169.09801	1.7
170.06010	5.5
171.11250	0.7
172.11607	1.2
177.10339	1.5
177.13844	3.8
179.11896	1.8
181.07700	0.8
181.09764	0.9
183.09441	1.2
183.14922	20.1
185.10988	1.6
187.08733	1.2
193.09779	0.7
193.12109	0.8
193.13626	0.7
194.09709	0.9
195.09514	1.5
195.11275	33.5
195.15001	1.2
197.12828	0.6
201.10550	26.5
209.09174	0.8
209.10880	0.9
211.12396	21.3
211.14481	5.2
212.13908	2.6
217.13705	3.4
219.18697	0.8
221.12912	0.9
223.10664	0.8
223.14432	1.0
224.14020	0.8
226.11952	1.3
227.15567	0.9
228.11752	0.8
229.10045	26.6
232.14575	0.9
237.13861	3.8
239.11777	3.9
239.15466	1.2
246.12862	1.8
250.15611	1.5
252.13489	1.4
255.11537	0.6
256.14615	2.6
256.18094	0.6
264.17166	1.5
267.11334	0.7
268.16568	10.4
268.19199	0.8
272.17688	1.6
278.15033	1.4
280.14841	1.8
282.16068	0.7
284.13928	2.5
292.16824	1.9
298.15845	3.4
300.17191	1.2
306.18228	0.6
307.17563	0.5
308.14264	7.5
308.19809	1.3
309.19089	2.8
310.85785	0.5
311.20981	2.0
314.19006	3.0
324.17404	1.1
325.16968	1.4
326.15311	22.5
339.20273	2.7
342.18430	6.5
343.18170	2.4
347.20807	2.8
352.20526	0.6
365.22083	2.4
381.19327	0.7
385.94110	0.5
395.21005	7.4
397.22589	1.2
399.20688	0.6
408.26270	2.1
411.24194	12.7
421.22855	1.1
423.20557	25.3
424.21121	0.7
436.25702	2.8
437.26367	0.8
438.25745	0.9
439.23737	12.6
439.29575	0.7
440.23145	3.4
454.24564	1.1
456.26559	1.4
480.25876	0.9
484.27600	2.1
494.24899	0.6
497.29120	0.9
505.31744	0.8
508.29596	5.0
525.28314	2.6
528.26581	1.6
534.30969	0.8
536.28967	24.2
553.31433	2.9
581.33002	1.6
593.33447	1.7
597.31830	2.9
607.31775	1.1
622.33594	1.2
625.31653	4.9
636.35437	0.7
638.36743	2.2
664.34802	4.6
678.38086	2.3
694.37439	7.7
722.36853	37.1
723.37598	1.8
735.41345	1.1
748.39337	1.1
753.37885	0.8
761.40381	2.3
779.39172	0.7
793.40308	3.3
819.42810	1.7
822.43756	0.9
835.46130	1.3
846.49036	1.2
850.42474	6.8
851.41748	0.7
866.45636	1.7
874.48700	7.0
892.47388	1.1
904.51019	2.1
932.50482	14.0
933.50360	1.2
935.51727	1.1
947.47827	2.3
963.50641	4.2
989.52600	6.0
1001.34680	0.6
1016.57361	2.1
1032.56848	29.9
1033.57483	2.0
1042.55042	1.5
1060.56396	100.0
1061.56018	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	1062.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00658	2.7
76.04000	0.9
79.05476	0.9
80.05008	0.3
81.03399	1.4
83.04980	3.6
83.06081	2.5
84.04495	22.5
85.02403	0.5
85.02895	8.5
87.04457	0.6
89.03909	4.7
91.05424	0.3
94.06537	0.4
95.04966	3.1
96.04491	0.5
97.02886	10.2
98.06046	1.7
99.02650	0.9
99.04442	1.0
99.05560	1.0
103.03954	0.3
103.05447	0.5
107.04964	1.6
108.04436	0.4
109.02889	1.8
109.07688	0.3
110.06013	1.1
111.04438	2.8
112.03958	20.4
112.07582	0.6
114.05516	0.5
117.03373	3.9
121.01063	1.2
121.06529	0.5
122.05942	0.4
123.04386	0.5
124.07573	0.3
126.05511	2.8
127.02131	4.9
127.03915	1.2
128.03441	0.8
128.07027	0.4
129.05493	1.5
129.06589	8.5
130.04991	100.0
131.04874	0.6
132.05638	0.3
133.04944	1.0
134.06003	0.9
135.02795	0.4
135.04416	9.3
135.05429	0.3
136.03880	0.5
136.07422	0.4
136.99341	0.3
137.04245	0.4
137.05984	0.3
138.05432	0.4
139.02098	1.0
139.03877	0.5
140.03403	0.4
142.04984	1.1
145.02829	8.2
145.06053	3.0
147.02626	13.9
147.06528	0.5
148.07593	0.9
149.00552	5.3
150.01367	0.3
150.05565	0.4
151.02147	1.2
151.03928	1.3
152.04674	4.2
153.06551	0.5
154.04976	0.5
155.01596	18.5
155.08075	0.5
157.04916	0.4
160.00644	0.4
160.05139	0.7
162.05475	0.6
163.03885	67.4
164.04350	0.4
164.07080	0.6
165.03719	1.6
165.05450	0.3
166.90776	0.3
167.01610	10.4
168.02382	4.2
169.03189	1.9
171.07700	0.8
171.79709	0.3
172.06038	0.9
175.02110	13.8
176.07072	1.1
177.03358	0.8
177.05417	0.4
178.08630	1.0
179.01630	0.5
181.03352	0.4
181.04716	1.7
181.06236	0.7
183.04657	0.3
185.02664	16.2
189.08582	0.4
192.43175	0.3
193.03171	82.4
194.03491	0.8
194.08118	0.4
195.07629	0.6
197.02681	0.4
199.07108	1.0
203.01617	0.8
205.07402	0.3
208.06021	2.0
209.02718	0.7
209.05592	0.4
210.05870	0.8
211.04211	15.8
211.07201	1.1
221.02660	1.9
222.07593	4.8
228.06873	4.4
238.05061	1.6
239.03775	1.0
239.10202	0.3
240.08713	0.5
243.04350	0.5
250.05202	0.6
255.06122	0.5
258.09738	1.0
260.71445	0.3
268.06381	0.6
287.03461	0.3
294.07892	2.2
296.05850	20.1
304.06497	0.6
307.08096	0.8
314.06894	12.8
322.07394	2.1
325.09140	14.5
331.09546	58.9
332.09814	0.6
338.07086	0.4
339.09708	0.3
348.05313	0.7
366.06348	2.0
367.09497	0.5
373.10477	1.0
379.09583	1.2
385.10596	12.0
397.10547	4.6
423.08582	0.7
427.11627	0.9
429.12305	0.3
441.09506	12.7
442.12772	0.7
443.11282	1.0
457.12006	0.3
459.11621	0.5
460.13806	82.3
461.13992	1.0
477.13406	0.7
493.14111	0.4
502.14838	6.8
508.14725	0.4
526.14502	0.8
537.55682	0.3
538.14740	1.5
544.16211	0.4
552.16217	5.2
568.15814	0.7
570.17584	1.4
586.17212	0.5
588.18390	1.8
592.17810	0.9
606.19611	3.5
622.18604	1.7
634.18500	0.7
655.17932	4.0
659.83911	0.4
709.18549	1.6
738.24097	1.7
784.22162	33.1
826.23383	1.0
876.24292	1.1
912.27386	0.7
916.25964	1.1
930.28278	2.9
958.27924	0.3
1062.32898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
80.21526	0.2
82.06598	0.4
84.08141	0.2
85.02919	0.2
85.07671	0.3
85.61794	0.2
86.09699	2.4
87.05613	0.6
91.05489	0.3
93.58572	0.2
95.06097	0.5
96.08151	0.6
97.07681	0.5
98.06029	1.3
98.09694	0.5
98.23377	0.2
99.09221	0.2
103.05514	0.3
105.07061	0.2
112.07561	0.5
112.08713	6.8
112.11214	0.4
113.07131	1.0
114.09179	0.6
114.10291	0.3
115.08691	3.5
116.07076	0.4
116.10725	0.6
120.08092	9.9
124.11259	0.9
125.10830	0.3
125.74153	0.2
126.05563	0.8
126.09165	0.3
130.09798	0.6
135.04398	0.3
138.12778	0.5
140.08218	0.9
140.14360	0.3
141.10211	10.3
143.11852	0.5
145.02950	0.3
146.09599	0.3
148.07613	0.2
151.08743	0.3
151.12283	0.2
153.10289	0.5
157.10901	0.4
159.09303	0.3
159.11279	6.0
159.12511	0.4
162.09152	0.4
163.03995	1.0
165.10284	0.3
165.13896	0.2
166.08604	0.3
166.13477	0.3
167.11868	0.7
169.09711	14.1
169.13287	1.0
177.10242	0.4
178.13365	1.0
180.10187	0.3
183.14899	8.1
187.10757	2.7
192.11298	2.8
192.12790	0.3
193.14673	0.3
194.12923	0.3
195.11252	2.1
197.12822	1.2
199.12363	0.3
205.62416	0.2
207.11227	1.0
209.13971	2.2
209.16177	0.3
211.14400	5.8
214.15616	0.3
217.09933	0.9
217.13335	19.6
220.14430	0.5
235.10750	2.4
235.12543	0.2
236.13991	0.2
237.13441	5.2
238.15701	0.3
239.15024	2.3
240.17085	1.1
245.12834	9.2
248.14014	0.3
251.13937	0.4
262.15732	0.4
265.13010	0.2
268.16537	2.7
268.19211	0.2
271.14505	0.3
280.17780	0.8
286.15530	0.3
288.17041	0.4
292.20169	0.3
302.15176	0.6
303.21347	0.3
304.16605	0.4
308.16696	1.3
308.19962	0.8
314.14960	7.3
316.16843	0.9
326.18158	1.8
332.16006	8.1
337.22427	0.9
340.20224	0.4
342.18164	0.2
351.19940	0.2
364.19931	0.3
365.21887	1.0
379.24387	2.6
385.22192	1.0
396.27155	0.3
397.76941	0.2
397.82016	0.2
403.23621	0.9
407.24310	0.6
413.21786	1.5
429.20767	0.2
430.24557	0.6
431.23297	0.6
445.24915	0.4
455.27112	0.3
473.25143	0.7
542.30603	0.6
552.29095	0.2
570.30225	1.7
589.38391	0.7
710.39575	0.4
752.45331	0.3
809.48334	0.2
810.75842	0.3
893.21661	0.2
1047.60425	1.3
1064.62402	100.0
1065.62915	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	1065.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06066	4.1
75.05585	0.3
83.06087	4.8
84.04491	35.4
84.08141	0.7
85.02885	0.4
86.06068	0.5
86.09692	70.3
87.10061	0.3
91.05467	13.2
94.06568	0.3
95.04980	0.2
96.04482	1.0
96.08110	0.5
97.06526	0.5
98.06049	1.9
98.09690	1.2
101.07126	25.0
102.05524	5.2
104.16416	0.2
105.07017	0.2
107.04936	3.8
109.06518	0.4
109.07635	0.4
110.09641	0.4
112.03966	0.7
112.07570	1.8
112.11238	0.8
113.07120	1.7
114.05502	0.3
114.09162	1.6
115.08675	1.4
116.07095	1.2
118.06485	0.5
119.04923	9.2
121.06492	0.9
122.06036	1.6
123.05537	0.5
123.09184	0.3
124.07613	0.4
124.11223	0.9
125.07151	0.6
125.10735	0.3
126.05505	0.8
126.09114	1.3
126.12764	0.3
127.08648	1.7
128.08243	0.4
129.06586	2.7
130.05003	2.1
131.04939	0.3
131.11780	2.0
133.06569	0.3
134.06015	0.5
135.06805	1.1
135.18282	0.2
136.07555	100.0
137.07080	0.8
137.07921	0.7
138.12761	0.8
139.08655	1.2
140.07045	11.7
140.08052	0.6
141.06569	2.9
141.10225	0.6
141.13841	0.5
142.12274	2.4
143.11751	1.1
146.06015	1.8
146.09244	0.5
147.04388	1.5
147.06688	0.3
147.07706	0.3
148.07549	1.9
149.07124	0.3
150.05482	2.4
152.10672	1.9
153.10210	0.7
154.08611	0.6
154.15802	0.4
155.08139	2.4
157.09697	1.2
158.09264	0.7
159.07722	1.3
160.07587	0.8
163.03908	0.4
165.13936	0.7
166.08614	0.4
166.09778	2.3
167.04630	0.2
167.06755	0.3
167.08145	6.7
167.15462	1.0
168.06503	1.0
168.07695	2.0
168.11331	0.6
169.06058	5.1
169.09752	0.8
169.13336	4.1
170.09639	0.3
170.11766	0.7
171.11296	0.7
174.09138	0.9
178.85510	0.2
179.08200	0.5
179.11816	0.7
181.09660	1.7
181.13318	0.5
182.08113	0.5
183.14900	64.5
184.09190	0.4
184.10791	6.7
184.15250	0.6
185.09186	5.3
186.08896	3.2
186.12418	0.2
187.07114	4.0
187.08737	0.3
187.14383	10.7
188.10672	8.0
188.12315	0.4
192.10159	1.9
193.09702	5.5
193.13370	0.5
194.09232	7.1
194.16483	0.4
195.07626	7.8
195.09377	0.4
195.14880	1.1
197.12849	3.2
199.10727	1.5
202.08603	3.0
202.11748	2.2
204.09795	0.3
204.13811	3.9
207.07704	0.3
208.09735	0.7
209.09174	0.6
209.12904	0.4
210.16130	0.3
211.14388	19.6
212.10269	18.8
213.08662	4.9
214.15579	0.3
215.11870	0.2
215.13866	5.7
215.15814	0.4
216.10199	0.5
217.13301	0.5
219.11263	1.1
220.09537	0.4
221.09181	1.2
223.14409	0.5
224.13998	0.4
225.08896	0.7
225.12238	1.6
226.11755	0.4
227.10295	1.1
227.13927	1.1
228.17027	3.9
229.13184	0.3
229.15453	0.4
230.08051	0.4
230.11310	4.8
231.11530	0.4
233.12805	6.2
236.13950	0.9
237.12428	0.7
238.11775	0.4
239.17441	0.4
240.09764	0.4
240.17079	0.5
242.14967	3.2
243.13347	3.8
244.09706	0.3
245.12926	0.3
247.10701	1.5
249.15985	1.0
250.15456	0.3
252.09970	0.5
252.17073	1.0
253.08238	0.3
253.11838	0.3
253.16188	0.3
254.11754	3.7
254.14777	0.5
255.13371	1.8
261.12360	4.6
261.16043	0.7
262.15540	0.7
263.13959	0.3
264.10413	0.3
264.13483	0.9
265.11792	1.1
266.11465	0.6
267.17010	0.4
268.16632	0.7
270.18158	0.3
271.17438	0.2
273.12283	0.3
276.17053	0.6
277.11798	0.7
277.15280	0.4
278.14801	0.3
279.13776	0.3
279.18112	1.2
280.16510	5.3
282.14474	1.3
283.13849	0.2
283.19986	0.3
284.12427	1.0
289.15524	0.4
290.14932	0.4
291.13318	0.5
292.12866	0.8
293.19702	0.2
294.18048	1.6
297.11990	0.3
297.19302	0.9
298.17566	1.3
299.13916	1.9
299.17087	0.7
300.15494	3.0
301.18954	2.2
303.13690	0.3
304.12988	2.4
304.16406	0.4
305.11270	0.6
305.18503	2.0
307.17654	1.5
308.15942	3.2
309.15460	0.9
310.13959	0.4
311.13837	0.3
311.20816	1.4
312.19171	0.4
315.13016	0.3
315.20148	0.4
317.14917	0.4
318.14661	0.3
320.15985	0.4
321.12399	0.5
321.19186	0.9
322.13940	1.0
325.18652	5.7
326.17059	2.2
327.13339	0.5
327.16684	0.6
328.20227	1.0
329.18250	1.1
330.14639	0.8
332.12488	1.1
332.19724	0.4
333.18103	0.7
335.17267	0.8
339.20212	30.1
340.20398	0.3
343.19800	2.1
344.18256	0.3
346.21271	0.6
348.15546	0.4
349.14963	0.4
350.13370	3.3
351.17004	2.1
351.20416	0.6
353.18323	0.8
356.19510	1.6
356.23349	0.5
360.19064	0.3
362.13412	0.3
369.21555	0.3
371.19345	0.6
372.15329	0.4
374.20694	1.7
379.16428	0.7
381.13876	0.3
383.19202	1.3
384.15555	1.0
391.23309	1.2
393.17587	0.3
393.24850	0.3
394.24579	0.3
395.23032	0.8
396.22183	1.1
401.20352	0.4
404.22440	0.3
405.21338	1.0
407.16171	0.4
407.26691	0.8
410.17349	0.4
412.25537	0.7
415.16159	0.3
418.20023	0.7
419.19211	0.5
422.23926	14.4
423.22662	1.0
427.19409	0.3
433.17206	0.5
435.22534	1.0
437.20792	0.3
440.25012	10.7
449.23911	1.0
454.23157	0.9
455.21329	0.7
457.23975	0.5
457.28680	0.3
463.21484	0.5
466.27066	0.3
467.19550	0.7
472.23987	1.8
481.20865	0.7
481.31421	0.4
485.20227	1.0
492.25024	0.4
495.18689	1.2
501.23407	0.4
502.26474	5.1
507.33005	0.6
508.30988	0.3
509.30978	1.1
511.25555	0.6
512.23309	1.2
513.19794	1.8
518.25964	0.5
519.24268	0.3
525.33594	1.8
528.24677	0.5
529.26190	0.7
533.27026	0.3
535.32306	8.7
536.27588	0.8
536.32251	0.5
540.28632	0.5
542.26550	0.3
546.25507	5.2
548.87036	0.3
551.28601	0.3
553.25366	0.5
553.33447	5.8
558.29260	0.7
559.28845	0.7
560.27350	0.5
561.22809	0.4
564.26483	2.2
566.29706	0.4
578.22681	0.8
579.24194	0.4
580.28271	0.5
581.25928	0.6
585.30371	1.5
590.28510	0.4
594.29266	1.0
596.23267	1.4
598.29126	0.7
603.31512	2.1
608.27380	0.3
610.25354	0.7
611.32703	0.4
614.24341	0.4
620.30902	0.9
626.27643	1.4
636.37592	0.3
641.25085	0.4
646.33502	0.4
647.30597	0.9
653.36981	0.6
654.38477	0.5
657.28186	1.1
660.33490	0.4
664.36926	2.4
665.34210	1.0
671.37610	0.8
674.31226	2.4
675.29871	2.4
677.33142	0.6
681.32056	0.6
682.27234	0.4
682.37842	7.2
688.31635	0.4
691.30945	0.5
692.32489	2.0
694.35913	0.4
695.34265	0.6
698.38788	1.3
699.32715	1.7
703.35028	0.5
705.31891	1.2
709.31696	6.4
711.40485	0.3
716.39771	1.8
721.38306	2.4
722.35358	1.5
723.33575	2.4
727.32941	3.2
739.39758	3.8
756.39380	0.6
760.38684	0.6
766.36975	0.4
771.36975	0.8
773.41968	0.4
774.39471	0.3
788.37354	0.3
789.37372	1.0
791.42157	0.4
800.41888	0.7
805.38123	0.7
806.36530	0.8
816.42230	0.5
820.35272	0.5
823.39160	1.1
824.38824	0.6
827.40668	1.0
834.44879	1.1
836.41748	0.9
837.37195	2.3
838.35596	0.7
845.44257	1.4
851.39362	1.7
855.38287	1.7
856.45245	0.5
857.43750	1.1
866.43829	0.6
867.43011	0.4
874.46411	5.0
884.44977	5.9
885.43225	1.3
891.46429	0.4
901.45007	0.3
902.46045	12.5
903.45496	0.3
916.41785	1.0
918.46857	0.9
919.46045	1.1
923.44434	0.4
924.46002	0.6
934.43054	3.8
935.42340	0.5
936.48358	1.1
937.46381	0.9
952.44080	2.8
954.49072	0.7
963.48230	0.6
964.46484	0.4
992.51044	0.3
1002.48517	0.8
1003.48480	0.4
1019.51563	1.6
1020.50153	1.9
1021.49683	0.7
1029.50037	1.2
1030.48523	1.2
1037.52808	8.6
1038.54041	0.4
1047.28235	0.4
1047.51331	10.8
1048.50635	2.4
1065.52295	12.1
1066.52075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	7.6
81.03413	7.8
81.03890	0.5
81.07050	21.3
83.01311	0.5
85.02897	17.2
87.04482	0.5
91.03952	1.1
91.05473	38.0
93.07033	1.8
95.04964	8.1
97.02890	4.6
99.04449	2.1
102.56028	0.4
103.05464	2.3
107.04962	3.5
109.02876	2.8
109.06512	17.0
110.06847	0.4
111.04423	0.7
118.37463	0.4
119.04933	52.6
121.02855	5.7
121.06478	1.0
123.04436	0.9
127.03900	9.9
129.75873	0.4
131.04695	0.4
132.67491	0.4
134.03593	0.6
135.04422	4.2
137.05965	48.0
138.06310	0.8
142.75470	0.4
145.04951	9.6
147.04396	73.3
148.04695	0.9
149.05992	2.2
155.07031	0.7
163.06009	4.7
165.05464	100.0
166.05783	1.2
173.04483	5.3
180.20430	0.5
183.06516	14.6
191.05466	3.2
245.08246	0.7
281.10269	0.5
289.09125	0.8
291.08594	1.7
309.09644	13.1
317.08600	0.6
325.11282	12.2
325.15091	0.8
327.10739	15.8
335.09720	1.0
345.11810	2.8
353.10602	0.5
388.35303	0.4
412.89975	0.5
471.15091	3.3
489.15814	0.9
508.12640	0.4
542.20276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
97.98931	0.3
108.56013	0.2
164.54648	0.3
255.48253	0.3
423.47937	0.3
453.15826	0.4
454.15851	0.3
455.12790	0.5
467.17526	0.5
468.14328	1.0
469.14886	6.6
469.20569	0.4
470.15744	1.0
479.17184	0.4
481.14569	1.6
482.15796	7.1
483.16574	9.4
484.17496	1.5
487.16101	0.4
495.16602	0.8
496.17487	4.9
497.18170	35.5
498.18854	2.9
499.19983	0.4
500.16711	0.5
509.17245	0.3
510.19247	1.6
511.19778	4.0
512.20325	1.1
515.19238	1.9
523.16010	0.5
527.15631	0.5
528.16296	1.8
538.20007	0.5
541.17163	0.9
542.17700	1.9
555.18860	1.1
556.19562	3.3
557.20306	4.3
569.20258	0.5
571.21771	0.7
592.43182	0.3
599.25708	0.4
613.22668	0.4
616.21472	3.3
629.22217	0.9
630.23279	0.6
643.23926	13.5
644.24677	16.8
645.24011	1.2
657.25513	14.0
658.25739	0.5
660.23560	0.6
675.26532	100.0
676.26685	2.1
915.91272	0.3
1030.85535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
108.27979	0.6
108.80082	0.6
112.17027	0.6
232.66766	0.6
503.92517	0.7
515.54132	0.7
1010.50726	1.2
1038.51367	1.7
1040.52307	2.2
1068.51575	100.0
1069.52307	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	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.0
51.02374	3.2
53.03945	10.9
55.01865	0.5
65.03948	2.2
77.03926	13.4
79.05487	100.0
80.05000	2.2
80.05813	1.5
81.03429	0.9
91.05483	4.6
95.04962	58.1
95.42471	0.4
96.05287	0.9
98.23475	0.6
105.04511	26.1
105.07026	0.9
106.04833	0.8
107.04948	56.7
107.08584	1.1
108.04452	1.0
108.05274	1.3
108.08076	0.4
109.06548	0.5
119.06020	0.5
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
50.01594	1.0
51.02382	4.7
53.03701	0.7
53.03945	14.3
55.01867	1.0
61.20560	0.4
65.03919	1.5
71.82719	0.4
73.12486	0.4
77.03923	18.8
79.01857	0.5
79.05486	100.0
80.05018	0.8
80.05811	1.8
81.03402	1.8
91.05470	3.2
95.04962	75.3
96.05293	1.6
105.04507	30.9
105.07045	0.9
106.04874	1.0
107.04948	35.1
107.08604	0.9
108.04462	0.5
108.05257	0.6
117.55694	0.4
119.06024	0.7
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	0.8
51.02380	3.4
53.03947	10.2
53.41464	0.3
55.01868	0.7
60.42323	0.3
63.66162	0.3
65.03942	1.9
71.17113	0.4
71.17452	0.4
77.03927	16.6
77.35915	0.3
77.48286	0.3
78.04262	0.4
79.05489	100.0
80.05014	0.9
80.05808	1.6
81.03410	1.0
91.05468	2.0
95.04966	53.7
96.05309	1.0
105.04514	22.5
105.07059	0.5
107.04951	53.0
107.08566	0.8
108.04533	0.3
108.05269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.58265	0.3
53.03933	0.9
60.29862	0.3
65.03595	0.7
65.03938	11.8
67.05493	1.4
70.71162	0.6
77.03922	0.4
79.05489	15.6
80.05016	1.7
80.05830	0.4
82.11508	0.3
88.15601	0.3
89.03959	0.3
91.05476	100.0
92.05742	2.3
92.06298	2.9
93.05782	0.4
93.68526	0.4
95.04974	3.4
101.28329	0.3
103.05465	0.5
105.04559	1.4
105.07025	28.0
106.04156	0.3
106.07368	0.8
107.04959	5.1
107.08588	32.6
108.04469	1.1
108.08117	1.2
108.08916	0.8
109.06511	16.5
113.00842	0.3
117.67681	0.3
119.06063	11.1
120.06424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02367	0.4
53.03946	1.2
56.10070	0.2
65.03938	12.3
67.05512	2.1
71.43114	0.3
77.03914	0.7
79.05487	18.7
80.05004	1.0
80.05806	0.6
85.44315	0.2
91.05475	100.0
92.05787	2.5
92.06263	2.8
95.04966	3.0
103.05461	0.7
103.86067	0.2
105.04554	1.3
105.07024	28.4
106.06651	0.3
106.07308	1.1
107.04957	3.3
107.08587	32.4
108.04450	0.6
108.08134	0.6
108.08920	1.4
109.06512	15.9
110.06837	0.5
119.06055	10.6
124.05217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12249	0.2
53.03949	0.5
54.81738	0.2
63.02353	0.3
65.03940	11.2
67.05510	1.1
69.43313	1.0
76.60786	0.2
77.03916	0.6
79.05491	10.8
80.05009	0.7
80.05832	0.3
91.05477	100.0
91.13643	0.2
92.05794	2.0
92.06267	2.0
95.04958	1.8
103.05457	0.5
105.04517	0.7
105.07027	30.0
106.04195	0.2
106.06615	0.2
106.07373	0.7
107.04964	1.7
107.08590	33.2
108.04485	0.6
108.08089	0.6
108.08916	1.2
109.06512	16.7
110.06857	0.5
114.65739	0.2
119.06059	11.1
120.06390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	11.5
55.44735	2.7
60.55096	3.2
65.03947	14.8
71.07550	4.0
79.05495	43.8
80.05014	26.7
91.05479	100.0
92.06274	4.6
93.05759	3.2
95.04975	11.1
105.04554	4.8
105.07024	23.8
107.04955	18.4
107.06065	8.4
107.06813	3.6
107.08578	34.2
108.04472	22.7
108.08110	20.4
109.06514	12.7
119.06071	9.9
123.85635	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02375	0.7
53.03936	2.0
55.01877	0.4
61.97158	0.5
64.20734	0.4
65.03935	11.9
66.04256	0.4
67.05498	2.3
69.76854	1.5
77.03927	1.1
79.05489	26.2
80.05010	4.1
80.05802	0.5
82.30303	0.4
85.74518	0.4
91.05473	100.0
92.05759	2.3
92.06291	2.9
93.05768	0.5
94.05036	0.4
95.04960	4.9
103.05452	0.6
105.04498	2.3
105.07024	27.2
106.06557	0.8
106.07362	0.8
107.04958	5.7
107.06075	1.4
107.08586	30.8
108.04470	3.1
108.08098	1.6
108.08904	1.2
109.06506	13.9
119.06057	10.1
119.77425	0.4
120.06289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.7004
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09693	97.3
91.05488	0.8
98.06060	1.0
98.09686	0.8
99.16334	0.6
103.05454	1.9
105.07057	1.2
114.09153	1.5
120.08087	56.4
137.07106	1.1
138.12712	2.5
149.12047	0.5
154.15913	5.0
165.13908	0.7
172.11234	1.0
183.14903	100.0
188.14299	11.5
196.29646	0.5
199.18024	27.1
211.14389	98.1
216.13844	0.5
217.13310	7.4
222.12785	0.8
227.17509	29.0
228.17032	1.7
233.16452	22.4
243.14925	0.9
245.12811	7.8
251.21164	1.1
261.15970	20.4
267.14828	0.6
267.24344	3.4
271.14536	0.6
279.20444	0.9
284.64429	0.6
285.19684	5.1
295.23831	2.8
301.22720	5.4
306.21683	1.1
312.20618	0.8
313.19138	4.2
319.17950	0.9
323.23157	0.5
324.22699	4.5
329.22220	5.5
330.21793	2.4
335.21558	0.5
340.20038	2.9
340.25928	7.2
341.18491	0.6
356.23257	1.6
357.21823	0.5
358.21201	54.6
359.21368	0.7
374.24289	7.3
375.23978	0.9
386.20633	0.7
408.32101	0.9
425.34695	0.7
426.27509	2.5
437.31253	1.2
442.30487	2.4
443.30124	13.8
453.34305	5.6
459.33105	2.4
460.26041	0.8
471.29623	25.6
477.28464	1.9
487.32791	8.1
505.28314	3.4
539.35553	1.2
555.39001	2.6
556.38489	4.3
558.88214	0.6
566.42822	2.7
572.41113	1.9
573.34363	1.2
584.37994	23.8
590.36731	2.3
600.32404	0.9
600.41138	11.3
618.36499	5.2
634.39325	1.1
652.43811	1.2
668.46906	1.4
669.46484	2.1
685.49255	0.8
686.42188	1.7
697.46344	32.4
698.46735	0.8
702.45728	0.7
703.44678	1.8
713.49463	4.6
731.44812	12.5
747.47955	2.9
765.52197	1.0
782.55353	3.1
799.50580	2.4
810.54706	42.2
811.53778	1.5
816.53082	3.2
844.53162	21.6
860.54999	1.2
895.62531	1.9
912.57922	1.9
923.63110	15.1
929.62500	2.7
957.61627	19.4
1042.68140	1.0
1070.69836	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	1073.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06603	2.6
83.07433	0.9
84.04506	3.8
86.06076	1.0
86.09699	5.1
91.05472	7.4
93.06992	0.7
93.91379	0.6
95.11024	0.7
96.04508	1.6
96.08120	10.0
97.01130	0.7
98.06048	32.5
100.07642	0.9
101.07164	1.6
102.05534	3.4
103.05463	0.7
107.04987	1.3
108.08115	1.6
113.07178	2.2
114.75293	0.6
115.08710	4.2
116.07137	2.4
119.04946	4.6
120.08099	13.1
120.08889	1.2
123.05519	0.9
124.07649	0.9
126.05509	18.9
126.09163	8.9
127.08720	3.0
129.06680	0.8
130.06488	0.6
131.08243	1.3
132.08148	1.2
136.07570	65.0
138.12767	20.4
138.13806	0.7
141.06587	5.0
141.10246	1.6
144.08069	0.7
145.02763	0.7
145.09694	4.3
146.09764	1.1
148.07611	3.0
151.12373	1.6
154.08618	15.3
155.08102	5.2
159.07719	2.3
162.09236	2.0
163.03943	0.9
165.10274	1.1
167.08115	1.8
167.11797	9.7
169.09804	2.0
170.09734	2.2
172.11195	14.2
173.09209	7.2
173.10431	0.7
177.13885	1.3
181.09769	2.8
183.07828	1.1
183.15004	1.6
184.06165	1.5
184.10843	3.9
185.09303	0.8
188.10732	0.8
188.14368	1.0
193.09853	2.0
193.12137	1.1
195.11282	9.0
197.12930	1.4
199.12434	1.1
200.10565	0.7
201.08699	4.4
209.09279	1.2
209.12785	0.9
211.14519	2.2
212.10326	7.3
212.13881	4.4
215.11967	0.8
215.13995	1.1
217.13361	18.3
217.15289	1.3
219.11508	0.7
221.09216	5.3
225.12425	1.7
229.16551	0.7
231.11346	1.3
233.12830	42.3
238.12067	1.9
243.13406	1.1
245.12885	8.8
249.12407	0.7
250.11993	0.9
251.14003	1.3
252.13429	1.4
253.17107	1.3
256.12994	0.8
259.10849	1.8
261.12338	15.5
261.14917	1.0
271.10983	0.9
273.12457	0.7
276.13480	1.4
277.12036	1.0
278.11533	1.2
278.15134	0.9
279.13519	1.0
285.19681	1.6
287.10507	0.8
290.14999	1.2
294.14648	0.8
302.13486	1.1
304.12839	6.9
313.19312	0.7
314.11276	0.8
317.15140	1.2
318.14490	13.4
322.14087	3.1
330.14505	2.0
330.18298	3.8
341.14590	1.6
342.18127	1.1
347.17404	2.0
357.15598	1.0
358.17584	11.8
374.17114	1.5
375.16763	2.8
375.20782	1.3
387.20584	1.2
391.19952	2.1
401.18082	7.4
415.19791	9.5
418.20776	0.9
419.19485	2.1
432.22897	0.9
444.22397	3.7
446.20401	1.1
455.26480	0.9
462.23682	1.3
471.22968	0.7
472.21628	4.7
477.20105	1.3
488.25012	3.8
490.23383	2.0
498.23318	7.2
515.26233	2.9
516.24445	10.3
533.27252	1.2
541.27734	3.4
543.25531	0.8
559.28748	8.5
561.19836	0.8
569.26813	4.0
573.26556	1.0
587.28070	7.1
591.28229	1.0
601.26270	1.4
602.29608	3.7
619.27295	1.2
659.32513	2.4
670.32550	1.6
688.32825	4.7
689.33820	0.8
698.32422	2.8
714.34772	1.1
715.37494	1.2
716.32458	17.7
717.32648	0.9
732.36121	2.5
742.35309	1.7
760.37091	2.3
783.39478	0.8
801.41272	8.4
803.41260	1.3
811.39758	6.8
813.39105	2.3
829.40753	40.6
830.40613	1.7
831.40222	4.3
863.39246	1.8
896.42957	1.0
914.43909	2.2
926.45990	2.5
931.46368	4.4
932.46234	1.2
942.43744	2.3
958.46808	1.3
960.44214	11.4
976.47424	2.5
1027.51563	3.1
1029.52954	1.0
1037.51123	2.6
1045.53442	23.7
1046.52942	1.5
1055.51965	24.9
1056.51770	2.4
1073.52917	100.0
1074.53101	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	1074.729
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09695	25.2
98.06050	26.1
108.41453	1.8
126.05499	17.2
126.06221	1.8
126.09153	6.2
138.12755	10.4
151.12251	2.9
154.15778	1.8
162.56750	1.6
167.11783	11.5
169.13339	30.3
171.11305	2.9
177.78754	1.7
181.09691	4.7
183.14899	22.0
191.82785	1.9
195.11293	16.4
197.12822	23.5
199.10826	5.4
199.18114	2.9
202.21405	1.7
211.14394	28.9
266.18655	3.0
294.18121	24.5
308.19434	1.8
310.21338	3.5
312.19098	4.9
324.22775	7.5
379.27032	8.7
387.10385	1.9
393.25076	2.5
407.26590	20.0
437.30869	3.5
464.28104	2.1
467.60175	2.1
480.31064	2.4
490.30106	9.1
508.31464	23.1
538.35779	3.1
550.39386	5.3
554.60040	2.0
621.39716	3.2
633.43219	4.1
647.44897	2.5
648.61804	2.0
651.44098	15.2
718.45068	3.3
734.47607	3.5
746.51740	2.4
764.52582	17.1
831.52600	7.1
944.61987	19.8
1029.69592	4.1
1039.69055	4.8
1057.70117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03999	1.2
81.03430	1.8
82.71256	0.8
83.04977	3.9
83.06104	4.3
84.04021	1.4
84.04503	22.5
85.02916	9.9
89.03473	0.7
89.03938	6.0
91.48121	0.9
95.04964	2.3
97.02888	11.0
98.06067	3.4
99.02659	0.8
99.05573	1.1
108.04513	1.2
109.02911	2.1
109.07669	0.9
111.04440	3.0
112.03962	21.1
117.03373	13.5
121.01112	2.5
126.05517	3.2
127.02139	5.4
127.03979	0.9
128.07056	1.1
129.05550	1.7
129.06599	9.6
129.91879	1.1
130.04996	100.0
131.04837	1.0
133.04918	1.0
134.03644	1.1
134.05994	1.5
135.04393	2.2
145.02838	36.5
145.06052	2.9
147.02612	15.4
148.07507	1.0
149.00557	8.0
149.05952	4.4
151.02112	1.4
151.03915	1.1
152.04657	4.7
155.01582	18.2
163.02106	1.5
163.03868	2.2
165.03787	1.1
167.01636	13.7
168.02444	5.7
175.02112	14.9
177.05457	69.7
178.08717	1.0
181.03268	1.0
185.02666	14.1
193.03181	80.2
194.03494	1.4
195.06458	1.9
199.07310	1.0
208.04326	1.1
208.06070	1.9
209.02672	1.4
210.05807	1.4
211.04227	18.3
221.02646	2.3
222.07536	4.2
228.06897	6.7
238.05235	1.3
258.09784	1.4
294.08075	2.2
296.05862	20.9
314.06921	15.3
319.08420	0.9
321.09637	1.9
322.07452	1.8
331.09549	59.4
339.10715	22.8
366.06235	2.8
373.10703	1.7
376.86670	1.0
379.09204	1.3
385.10696	13.9
397.10477	5.4
423.08588	1.0
427.11798	0.9
441.09509	14.4
442.12747	1.1
443.11093	1.2
460.13824	95.7
502.14966	8.4
511.03864	0.9
538.14746	1.2
552.16589	4.9
568.15997	1.1
588.18170	1.7
606.19250	3.4
636.17688	1.4
669.19208	3.8
723.19971	2.8
738.23969	1.3
798.23706	29.9
840.25171	1.0
944.29340	3.1
1022.80096	1.2
1076.33911	1.2
1108.00452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.5594
Annotation	Prorocentrolide B
Peak:m/z	Relative Intensity
74.66441	0.6
76.27754	0.6
82.06563	1.6
84.04527	2.1
84.08150	1.7
86.09699	14.2
86.75847	0.8
94.06552	0.8
96.04504	0.9
96.08121	20.5
98.06047	61.9
98.09727	1.8
100.07667	0.7
102.03778	1.8
108.08107	1.1
110.09701	0.7
112.07565	0.8
112.11269	0.7
115.08695	1.5
120.04832	1.4
124.07627	1.2
124.11297	1.0
125.07092	1.8
126.05505	41.5
127.08725	2.7
130.03258	1.1
130.06517	9.0
132.08133	3.1
137.10791	1.2
138.12749	8.1
138.89983	0.7
140.81560	0.8
141.10217	4.0
143.07329	1.0
144.08150	1.8
148.04308	1.7
151.12283	4.7
153.06488	0.8
153.10220	24.1
154.10928	1.2
155.08141	4.4
158.08466	1.9
159.09183	17.7
164.07123	0.8
165.10286	2.8
165.14041	0.9
167.11787	16.2
168.08139	1.9
168.12474	0.7
169.07674	1.9
169.09784	1.5
169.13371	6.7
170.06009	6.4
171.09250	0.7
176.03819	1.8
177.10269	2.8
177.13956	3.3
178.11111	1.0
179.11853	2.8
181.09706	29.2
182.08394	0.9
183.14915	17.4
187.08765	1.3
193.09830	1.7
193.12152	2.0
193.13620	1.1
195.09547	1.2
195.11273	28.2
195.15048	0.9
197.10959	1.5
197.12920	3.6
198.12505	2.3
205.13347	0.7
209.09219	1.2
209.10985	1.3
211.12404	27.9
211.14493	6.0
212.14070	2.1
217.10194	2.4
221.12886	1.1
223.12596	1.0
223.14432	1.6
224.14259	0.9
226.11942	0.9
227.08414	0.9
232.14494	1.2
233.13249	4.0
237.13914	4.4
239.11813	3.6
239.15547	1.7
245.09541	26.3
250.15656	2.7
251.16309	1.5
252.13515	2.2
256.14594	1.6
260.14063	1.8
261.12805	1.0
262.12357	1.4
266.18649	4.8
268.16595	9.6
272.17624	0.9
276.17102	1.2
277.16516	1.1
278.14981	22.3
278.17993	1.2
279.18356	0.9
280.20172	0.9
284.13876	1.1
292.16779	0.9
294.18109	6.3
295.17905	2.8
300.17236	1.2
309.19409	2.4
310.15970	1.1
311.20941	2.9
314.15491	0.9
323.17316	1.1
324.13901	1.5
330.18564	2.3
339.20624	1.5
342.14780	11.8
347.20929	2.5
358.17838	5.0
359.17691	1.0
363.23846	12.9
363.28293	0.9
365.22009	2.6
375.20264	9.3
391.23380	7.5
392.23532	1.0
408.26331	3.6
427.23734	9.2
436.26547	3.1
439.20078	13.5
452.26733	1.6
455.23392	3.6
456.23071	1.6
460.29169	6.8
480.25864	1.1
488.28821	1.7
516.26648	1.2
524.29327	3.2
533.31409	1.5
544.25690	1.4
549.31659	7.7
552.28467	11.5
569.31274	3.4
574.11078	0.8
577.31720	1.4
593.35449	0.8
613.31763	0.8
630.37927	1.3
641.30981	3.8
646.37366	3.3
674.36475	9.2
680.34399	1.8
685.40668	0.8
710.36987	5.8
738.36359	30.6
739.37238	1.7
739.85437	0.8
763.51440	1.0
777.40314	0.8
802.42780	1.9
809.39893	1.8
851.45428	1.2
866.42566	4.1
882.45190	2.2
884.50458	3.3
890.49121	3.8
915.51642	1.4
920.49762	2.1
947.07086	0.8
948.49908	17.2
948.67328	1.4
949.50757	2.1
963.48810	0.9
968.57666	1.4
979.51111	5.3
984.56476	6.6
1005.52411	3.3
1012.56036	33.6
1013.56885	2.9
1032.57556	1.5
1048.56604	23.1
1049.56531	1.3
1058.55359	2.4
1076.55933	100.0
1077.56580	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	1078.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04978	41.0
85.02901	83.4
87.04472	1.0
89.03906	2.2
91.05483	0.7
92.92220	0.2
97.02891	1.2
101.06011	0.2
110.16634	0.3
111.04440	23.6
117.03372	4.9
127.03908	5.2
129.04747	0.2
129.05475	10.6
145.02840	11.8
145.09137	0.3
149.05972	1.9
151.07510	1.1
153.05458	1.1
163.03999	0.3
171.06517	100.0
172.06824	0.4
177.05463	32.6
195.06551	0.8
231.08623	27.6
274.46066	0.3
339.10794	2.6
407.13138	0.6
423.48105	0.3
788.97797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.684
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09735	0.3
138.05270	0.6
164.06839	0.3
171.08813	0.2
179.61734	0.3
189.09950	0.3
191.11656	0.4
205.13240	0.4
234.12296	0.4
245.12767	0.3
259.14194	0.3
262.15271	1.3
286.15479	0.6
288.13687	0.4
288.16769	5.3
289.16641	0.3
302.18637	0.3
304.20062	0.4
307.17480	0.3
315.18011	0.5
316.16327	0.6
318.21451	1.7
333.19217	0.8
334.24799	0.4
347.20850	0.7
355.46826	0.3
356.19595	0.3
359.20670	0.4
361.22281	0.5
363.24374	0.3
375.23630	4.1
385.22449	0.4
388.25906	0.3
389.25867	0.4
401.25317	5.4
402.25223	0.4
411.23914	0.5
420.25995	0.4
429.24872	0.5
431.29898	1.8
446.27576	0.6
447.33032	0.4
458.27625	0.8
473.30878	0.3
474.30838	0.4
484.29306	0.7
488.32034	1.9
500.28470	0.6
502.30322	0.7
514.33740	2.3
515.33417	0.3
524.32739	0.3
544.38232	2.4
569.35077	0.3
571.35950	1.0
601.40442	1.9
615.38898	0.4
627.41760	1.8
637.40900	0.3
668.41327	2.5
684.44690	0.6
712.43854	0.3
714.49054	0.9
740.50684	0.5
781.49255	2.0
825.52136	0.5
826.52753	0.3
837.55573	1.3
853.58215	0.3
894.57495	4.0
908.58875	0.4
921.59436	0.6
922.58124	0.4
924.58954	0.6
938.61334	0.9
950.64349	0.7
989.63409	0.4
1007.66254	9.9
1008.66107	0.6
1017.64941	0.5
1035.65698	11.0
1036.64856	0.3
1051.69116	1.9
1079.68298	100.0
1080.68811	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	1087.7283
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09699	91.8
90.08379	3.5
91.85926	3.4
95.44679	3.2
101.00414	2.9
108.80719	3.1
120.08099	58.5
124.84302	3.2
137.07048	2.9
147.65981	3.3
154.15915	6.9
155.55214	3.3
169.91393	3.5
183.14915	100.0
188.14311	11.6
198.22443	3.2
199.17984	28.1
211.12399	5.1
211.14388	89.4
217.13229	8.2
222.12839	4.4
227.17508	32.5
233.16507	26.7
245.12872	8.2
257.30240	3.5
261.15976	21.9
267.24335	3.9
268.22467	3.9
285.19653	4.8
301.22705	5.4
313.18918	3.5
329.22195	9.9
331.00317	4.8
340.25739	4.9
358.21243	50.7
374.24219	5.7
414.64871	3.3
425.40869	3.9
426.27490	4.4
443.30072	12.0
471.29645	25.4
573.33331	5.4
584.37921	14.5
585.28333	3.7
600.41022	8.8
697.46625	16.5
713.49286	6.0
731.43835	9.0
758.69586	3.9
810.55432	29.9
844.52582	14.4
923.62988	24.1
957.61755	28.6
1070.68823	15.9
1123.19128	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	1087.7271
Annotation	Unknow
Peak:m/z	Relative Intensity
75.55079	5.4
85.84786	6.3
86.09697	100.0
98.23500	13.4
111.14183	5.4
120.08090	59.1
183.14905	98.2
188.14307	10.6
199.18004	28.1
211.14404	88.8
227.17540	29.4
233.16492	24.3
246.85831	5.5
261.16006	23.5
267.24277	7.0
329.22485	6.0
340.26102	6.5
358.21158	61.3
374.24484	8.8
443.29834	19.9
471.29343	26.2
487.32819	10.1
551.40784	5.6
584.37885	17.9
600.41010	8.8
697.46344	35.0
713.49402	7.3
731.44586	10.6
810.54816	49.9
844.54468	28.4
912.57684	7.4
923.63110	46.8
957.61603	38.9
1070.68506	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	1089.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
91.70848	0.4
100.46073	0.4
103.21539	0.4
123.75229	0.3
164.46848	0.4
277.79968	0.4
335.25995	0.5
396.11935	0.6
409.13199	0.7
410.13684	1.1
411.14291	2.8
412.15234	1.5
413.15909	0.9
423.14691	1.2
424.15695	2.2
425.16293	6.0
426.16876	4.0
427.17416	0.9
428.18393	0.7
437.12790	1.2
438.12338	2.6
438.38126	0.4
439.13431	8.5
440.19138	3.3
441.13211	0.9
441.19266	16.7
442.19522	1.6
451.13519	0.6
452.14139	3.0
453.15106	9.3
454.15811	3.3
463.14029	0.4
465.15594	0.8
466.16211	0.7
467.17111	14.6
468.17709	8.9
469.18851	7.4
470.19379	0.6
471.16757	0.6
477.15665	0.6
478.15961	0.7
480.14587	1.6
481.14609	8.4
482.15085	2.8
483.15857	0.4
494.15936	0.5
495.11130	0.3
495.16547	17.8
496.16904	27.9
497.17798	2.4
499.20108	0.6
509.18213	1.8
510.18692	0.7
512.20807	0.7
513.18079	0.7
514.17755	0.5
514.22839	0.8
523.19568	0.7
527.22266	0.8
537.18994	0.9
538.18018	0.4
542.21405	0.7
555.22351	15.2
556.22406	1.2
568.19159	1.2
583.21844	42.0
584.22186	4.6
586.20734	0.6
587.24780	0.6
599.21307	0.6
600.21948	0.9
611.21460	1.5
614.23438	0.8
615.24512	2.9
628.21008	0.5
642.23212	18.4
643.23749	100.0
644.23822	3.4
909.86902	0.4
952.23828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03948	12.9
55.01862	2.6
55.05508	1.1
65.03943	7.1
65.42851	0.9
66.04723	3.5
67.05503	2.9
69.03434	3.4
69.33107	3.0
69.33507	2.6
79.05489	60.3
80.67672	1.1
81.03411	19.0
81.07053	66.4
82.07355	1.9
91.05480	20.6
94.03589	1.6
94.04185	33.1
94.65697	1.0
95.04974	2.3
98.22746	1.8
107.04952	11.4
107.16270	1.1
109.02873	4.5
109.06514	100.0
110.06026	2.1
110.06774	2.2
111.04436	2.2
119.06078	1.6
121.04005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02379	1.4
52.93166	0.3
53.03946	15.7
54.04279	0.3
55.01866	2.4
55.05510	1.2
58.84770	0.4
65.03941	5.6
66.04711	2.1
67.05505	3.2
67.90508	0.3
69.03102	0.3
69.03423	2.3
69.98593	1.3
70.86710	0.3
71.21849	0.3
72.18298	0.3
77.03939	0.7
77.04339	0.4
79.05489	74.3
80.05001	0.4
80.05829	2.9
80.06253	0.7
81.03001	0.9
81.03412	29.8
81.07052	100.0
82.03739	0.8
82.06619	0.5
82.07391	3.0
84.96465	0.4
88.93096	0.3
91.05474	8.7
92.05820	0.4
94.04184	9.4
95.04974	3.8
105.04529	0.9
107.04949	3.3
108.05283	4.4
109.02874	14.5
109.06516	51.2
109.10157	1.1
110.03197	0.7
110.06055	2.6
110.06870	1.7
111.04449	0.9
121.03996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02367	1.1
53.03945	9.2
55.01878	1.1
55.05507	11.1
65.03941	7.4
66.04720	2.6
67.05502	100.0
68.05846	1.4
69.03427	0.9
69.07069	6.4
71.01082	0.7
71.42470	0.8
77.03938	0.9
79.05489	54.3
80.05824	1.3
80.06261	0.7
81.03413	16.9
81.07053	61.1
82.06554	0.7
82.07368	1.5
91.05486	4.6
94.04176	4.9
94.07819	1.5
95.04967	3.7
105.04504	1.9
105.07059	0.8
107.04957	1.3
107.05711	0.5
107.08604	3.9
109.02863	0.6
109.06515	54.9
109.07595	3.9
109.10149	53.2
110.06032	4.5
110.06851	1.9
110.10485	1.8
110.38700	0.6
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
52.02819	0.6
53.03936	1.8
55.05511	9.5
61.19444	0.6
65.03939	4.4
66.13431	0.7
67.05502	100.0
68.05826	1.7
68.79403	0.6
69.07060	7.7
71.42806	0.6
75.15125	0.6
79.05493	9.9
80.06263	1.7
81.07055	31.8
82.06569	2.6
91.05467	1.2
94.07816	1.7
98.65901	0.7
99.45033	0.6
107.08575	4.1
109.06520	4.4
109.07633	6.9
109.10150	59.8
110.06039	10.9
110.10459	1.3
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	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	6.5
55.01857	1.0
55.05513	10.9
65.03950	5.3
67.05503	100.0
68.05824	1.4
69.06744	0.8
69.07068	5.7
71.43294	0.7
76.52898	0.5
78.04361	0.5
79.05492	17.4
80.05818	0.6
80.06270	1.4
81.03415	6.1
81.07055	38.1
82.06583	1.2
82.07381	1.0
91.05488	4.5
94.04176	5.2
94.07832	1.2
95.04973	1.1
107.04958	1.9
107.08578	4.0
109.02892	2.5
109.06521	17.5
109.07620	3.9
109.10152	42.3
110.06042	8.5
110.10483	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05510	10.6
59.31804	0.4
65.03941	4.3
67.05502	100.0
68.05827	2.0
69.07064	6.3
77.44127	0.3
79.05045	0.7
79.05491	9.5
79.05947	0.6
80.05003	0.4
80.06270	1.1
81.03417	2.9
81.07053	32.2
82.06571	0.7
82.07375	0.8
91.05466	2.0
94.04193	0.7
94.07822	1.0
104.90807	0.3
107.04919	0.4
107.08588	3.3
109.02856	0.8
109.06522	4.0
109.07664	2.2
109.10151	39.9
110.05421	0.4
110.06051	3.4
110.10492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	3.5
55.01867	0.5
55.05307	0.2
55.05511	10.4
65.03943	4.8
67.05502	100.0
67.70584	0.4
68.05850	1.9
69.07070	5.8
70.70737	0.6
73.39704	0.3
79.05492	11.3
79.05950	0.7
80.06256	1.7
81.03413	4.7
81.07053	32.3
82.00670	0.3
82.06596	1.1
82.07395	1.0
82.33482	0.3
91.05470	2.5
94.04173	3.1
94.07834	1.3
105.07048	0.8
107.04957	1.1
107.08587	3.5
109.02856	2.1
109.06514	7.5
109.07619	1.8
109.10152	39.9
110.06051	5.0
110.10499	0.8
119.06061	0.4
126.64410	0.3
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
50.65632	0.3
53.03943	2.0
55.05508	10.4
59.10706	0.3
65.03928	4.4
67.05498	100.0
68.05820	1.6
69.07065	5.2
69.43040	1.3
77.03896	0.3
79.05485	9.4
79.05943	0.5
80.06262	1.0
81.03421	1.1
81.07049	32.2
82.07381	0.4
91.05485	1.0
94.04186	0.8
94.07839	1.6
95.04975	0.4
97.07672	0.3
105.07005	0.4
107.08585	3.6
109.02881	0.9
109.06515	2.2
109.10146	37.2
110.06017	0.8
110.10434	0.8
112.00146	0.3
120.76006	0.3
121.49387	0.3
126.25267	0.3
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	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03948	1.3
55.05508	10.3
64.19264	0.2
65.03599	0.3
65.03939	4.7
66.04693	0.3
67.05500	100.0
67.26173	0.2
68.05826	1.7
69.07063	4.9
69.74461	0.4
69.74860	0.4
75.63813	0.2
79.05486	7.3
80.06252	1.2
81.03415	1.0
81.07051	28.0
82.06570	0.3
82.07384	0.4
91.05470	1.4
92.05342	0.2
94.04164	0.6
94.07820	1.1
98.33319	0.2
105.07056	0.3
107.08580	2.6
109.02826	0.5
109.06524	1.7
109.07656	0.7
109.10146	35.7
110.06020	1.1
110.10483	0.9
119.06084	0.3
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
50.59735	0.5
53.03942	5.6
55.05508	11.0
59.66967	0.5
65.03619	0.4
65.03938	6.9
65.63169	0.4
67.05499	100.0
68.05836	2.1
69.07061	6.2
69.07402	0.6
69.35870	2.5
76.03742	0.4
76.42371	0.4
78.09264	0.4
79.05484	11.8
79.58501	0.5
80.06275	1.4
81.03413	5.0
81.03838	0.6
81.07050	32.6
82.06570	1.6
82.07369	0.5
91.05454	2.6
94.04167	1.8
94.07809	1.0
95.04956	0.9
105.04484	0.6
107.04914	0.7
107.08593	3.0
109.02899	2.3
109.06506	6.9
109.07645	4.4
109.10146	37.0
110.06036	8.3
110.10493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05511	9.4
61.63171	0.5
64.67872	0.4
65.03940	4.1
65.05865	0.4
65.69035	0.4
66.04695	0.4
67.05502	100.0
68.05833	1.8
69.07069	4.9
69.92311	1.1
69.92635	0.5
73.69655	0.4
76.52024	0.4
76.68219	0.4
79.05495	9.0
80.06283	1.5
81.03423	0.7
81.07055	26.5
82.06597	0.5
82.07363	0.4
91.05476	1.3
94.04185	0.5
94.07821	1.4
97.12680	0.4
105.07069	0.5
107.08597	3.4
109.06516	1.7
109.07647	0.8
109.10152	33.6
110.06047	1.2
110.10497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	1.1
83.04967	3.9
85.02901	9.8
89.03913	3.6
95.08612	0.9
97.02905	4.4
99.04491	1.1
104.02245	0.8
107.05004	1.1
111.04434	1.9
112.37875	0.9
113.61684	0.8
115.03918	3.6
117.03333	2.9
124.07558	2.5
127.03872	1.0
129.05484	1.7
133.04968	1.2
135.04378	5.0
145.02826	5.8
147.06487	0.8
152.07091	2.1
163.03893	42.9
164.07086	1.4
165.12727	1.5
166.08698	2.0
174.09128	1.5
176.06938	1.4
181.04929	2.0
182.08119	2.7
188.06964	1.4
190.08617	1.9
202.08670	2.4
203.09363	1.6
204.10225	2.1
206.08258	1.0
208.09518	0.9
216.10161	4.6
218.11743	2.0
219.08855	1.5
220.09615	2.7
228.10291	0.9
230.11722	1.8
234.11220	14.3
242.11859	1.8
246.11234	1.1
247.12093	1.7
248.12776	1.3
262.14420	1.6
312.19516	1.6
314.17386	1.1
325.09216	6.9
332.18304	1.3
340.18936	4.6
342.02292	0.9
346.19958	1.4
356.22137	1.6
358.20087	15.5
359.20837	2.0
374.23090	4.2
376.21155	49.0
377.21948	13.3
392.24380	1.0
454.29391	1.2
472.30508	3.3
490.31604	100.0
491.31909	1.5
581.74054	0.9
623.76642	0.9
636.36755	1.5
700.29456	4.2
814.39935	43.5
924.22083	1.1
960.45752	6.5
991.28162	1.1
1092.48486	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	1092.6829
Annotation	Unknow
Peak:m/z	Relative Intensity
76.62855	0.3
86.09718	0.4
142.06287	0.3
164.06874	0.9
203.11584	0.3
205.13107	0.4
221.16396	0.4
250.15382	0.3
255.14690	0.5
273.97098	0.3
309.15820	0.6
334.24692	1.5
350.18616	0.8
352.19916	2.9
362.18576	0.3
368.23367	1.2
380.19653	0.3
389.25763	0.4
394.21478	0.7
402.27530	0.6
409.22159	0.4
422.24179	0.4
423.24045	0.3
447.32959	1.4
463.27179	0.6
465.28308	3.5
481.31555	1.6
492.29666	0.4
499.27084	0.8
520.29474	0.4
535.32867	0.5
560.41962	0.6
576.35242	0.4
578.36743	2.3
594.39716	1.6
604.38141	0.4
612.35327	1.1
620.38556	0.6
648.40521	0.4
649.40527	0.4
689.43292	0.4
691.45050	1.5
707.47852	1.4
725.43835	1.2
725.76733	0.3
804.52924	1.6
838.51099	1.4
854.56366	0.6
874.57697	0.3
875.57458	0.4
883.55811	0.5
915.59186	0.4
917.61969	1.1
930.57025	0.7
944.60901	0.4
951.60547	2.2
958.57642	1.1
972.57751	0.4
1064.69067	5.8
1092.68188	100.0
1093.67908	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	1092.683
Annotation	Unknow
Peak:m/z	Relative Intensity
80.36884	0.2
87.05870	0.3
133.77994	0.3
176.69176	0.3
202.41580	0.2
210.56889	0.3
221.16078	0.3
260.13702	0.3
288.13284	0.3
309.15692	0.4
334.24615	0.4
350.18365	0.3
352.19897	1.3
368.23459	0.9
394.20993	0.4
407.31699	0.3
422.24377	0.5
447.33463	0.6
465.28735	1.1
481.31720	0.8
499.26923	0.4
560.42352	0.4
576.36255	0.3
578.37201	0.8
594.40247	0.7
612.35345	0.3
691.45508	1.0
707.48694	0.5
725.43890	0.7
743.47620	0.3
804.54053	0.5
838.52008	0.9
915.59930	0.3
917.62775	0.9
930.57654	0.4
951.60522	1.3
958.57056	0.6
1064.68689	2.7
1092.68262	100.0
1093.67834	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	1098.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10352	0.2
79.05479	0.5
81.03410	1.7
81.07041	0.2
83.04972	0.9
83.28602	0.2
85.02897	3.3
89.03906	5.6
89.04467	0.3
91.05486	0.2
91.45502	0.2
95.04962	0.4
97.02876	2.0
99.04447	0.3
107.04946	1.1
109.02894	1.0
111.04414	0.5
115.03927	0.5
117.03363	4.7
127.03889	0.6
129.05466	0.5
133.04955	0.2
135.04399	10.7
137.05951	0.8
139.03780	0.2
145.02829	9.1
147.04402	0.2
163.03882	100.0
164.04187	0.8
165.05475	0.3
175.03743	0.2
177.05437	0.4
181.04933	5.6
194.18564	0.2
195.06474	0.4
229.64555	0.2
233.08012	0.2
245.08125	0.2
263.09076	0.3
265.06924	0.3
273.07602	0.3
277.07135	0.2
289.06985	0.4
291.08502	0.3
295.08127	0.9
307.04813	0.3
307.08096	2.9
309.09695	0.9
317.10181	0.5
325.09140	16.1
326.17081	0.6
327.17267	0.3
457.13297	0.3
471.14984	0.2
479.15781	0.2
487.12128	1.0
613.04919	0.2
918.43958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	0.4
81.03411	0.6
83.04979	1.6
85.02900	6.7
87.04437	0.2
89.03378	0.3
89.03909	4.1
91.03967	0.8
91.04411	0.1
91.05495	0.3
95.04948	0.4
97.02888	5.3
99.04443	0.5
103.03919	0.2
107.04945	1.0
109.02863	0.3
111.04439	1.5
113.02308	0.1
115.03917	1.2
117.03368	3.7
123.04395	0.2
127.03906	0.9
129.05463	1.9
129.07005	0.2
133.04948	0.5
135.04410	8.5
137.05968	0.8
139.03836	0.2
145.02838	8.1
145.04929	0.7
147.06532	1.2
151.03845	0.1
163.03893	100.0
164.04211	0.9
165.05502	0.3
169.04947	0.2
179.07016	0.3
181.04932	1.7
181.61809	0.1
199.06087	0.1
221.08157	0.2
225.07558	0.5
228.85103	0.1
233.08174	0.2
243.08698	0.7
255.08682	0.4
259.08261	0.1
261.09668	0.3
263.09225	0.2
265.07043	0.3
273.09653	0.3
277.06949	0.2
279.10699	1.1
281.10220	0.1
295.07541	0.6
299.11349	0.3
307.08078	0.9
309.09238	0.4
309.11826	0.8
317.10019	0.3
325.09146	39.2
326.09460	0.5
435.12585	0.2
457.13245	0.4
461.14374	0.3
471.14954	0.7
479.15326	0.3
705.72180	0.1
735.90173	0.1
1062.21228	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	1098.7524
Annotation	Unknow
Peak:m/z	Relative Intensity
85.10172	0.5
86.06039	0.1
86.09690	0.2
88.07622	8.9
96.50600	0.1
98.06009	0.1
102.08595	0.1
102.09164	3.0
106.08656	5.2
120.08105	0.9
141.10208	0.3
154.17334	0.1
157.09688	0.2
167.08124	0.8
169.09705	0.3
185.09232	0.3
212.23735	0.3
230.24768	0.6
233.16646	0.1
240.90750	0.1
256.23611	0.2
256.26331	4.7
274.27365	100.0
275.27704	1.5
314.15005	0.4
332.15979	0.3
360.76459	0.1
417.24725	0.1
445.24466	0.2
494.34326	0.1
558.32751	0.9
683.61047	0.1
712.39722	0.3
726.40582	0.1
797.48883	0.2
825.48633	1.6
1098.52087	1.3
1099.51355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1102.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06587	0.3
84.08147	0.3
85.07694	0.4
91.05470	1.9
95.06116	0.7
97.07671	1.0
98.06061	0.8
99.09193	0.3
100.07650	0.4
103.05487	0.4
109.07666	0.4
111.09238	0.4
112.08718	8.3
113.07164	0.8
113.09483	0.2
114.10291	0.3
115.05461	0.5
115.08681	4.0
115.09397	0.3
117.05765	0.4
119.04938	1.5
120.08100	7.3
121.06560	0.3
121.07610	0.2
124.08768	0.5
124.11248	0.3
125.07101	1.1
126.05527	0.4
127.08669	5.1
130.06511	4.8
132.08086	2.0
136.07568	20.6
137.07143	0.6
139.08670	0.6
139.09743	0.4
140.08223	0.6
142.06567	0.3
144.08125	0.7
146.06082	0.3
147.04442	0.4
148.07616	0.4
148.08749	0.6
152.08177	1.3
154.09818	0.6
155.08139	12.3
157.10901	0.9
159.09171	7.6
159.10439	0.4
160.07608	0.3
164.11818	0.3
165.06671	0.5
167.09439	0.3
167.11879	0.3
169.07722	1.0
169.13342	15.5
170.06007	2.8
170.07137	0.2
171.09192	0.4
171.14999	0.8
172.11209	0.9
174.12932	0.5
175.08641	0.3
179.11821	0.3
180.07857	0.4
181.09743	0.4
184.08766	0.4
184.11205	1.1
192.11301	1.4
193.09689	5.8
195.11206	0.3
196.11371	0.2
197.10782	0.6
197.12840	11.3
198.82509	0.2
199.14526	0.4
203.08240	0.4
206.12906	0.4
209.10954	0.3
211.12274	2.1
214.13605	0.2
217.13364	1.9
219.14963	0.7
221.09079	2.2
221.11127	0.3
227.11797	0.4
229.13596	0.4
233.12981	0.5
236.11826	0.4
238.13416	0.4
239.11742	2.0
242.12894	2.3
244.11133	0.4
245.12790	1.3
247.14598	0.5
252.13414	0.2
256.14435	1.5
257.13080	0.3
261.14020	0.4
263.12909	0.4
265.14661	0.3
266.12973	0.5
267.11478	0.3
271.18253	0.3
278.15106	0.7
281.14075	0.6
284.13928	1.4
290.15060	1.7
291.12451	0.3
296.19705	2.7
298.16589	5.0
299.17682	0.3
300.13608	0.4
302.15134	1.3
303.14386	2.3
306.18347	0.3
317.16037	1.9
318.14453	2.7
326.16174	1.0
335.17087	1.1
338.18774	0.9
360.16611	1.6
383.20883	1.8
414.21487	0.4
429.22452	1.3
432.22589	0.6
437.21991	0.7
443.26953	0.3
446.25174	0.5
457.21918	5.6
474.24249	1.4
484.23441	0.3
489.23019	0.3
494.29126	0.5
514.23792	0.3
518.25128	0.3
604.29211	0.3
615.30310	1.9
621.31604	0.3
643.30566	0.4
712.36188	0.5
811.44336	0.3
1074.58789	0.6
1084.58240	0.3
1085.55786	1.4
1102.58203	100.0
1103.58093	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	111.0556
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
50.22461	0.2
50.65387	0.2
54.03465	0.7
55.01864	0.9
55.04246	0.2
55.05508	1.8
56.04779	0.3
56.05035	5.1
65.03944	0.5
65.54777	0.2
68.05025	0.9
68.17239	0.2
69.03431	2.3
69.04552	1.1
69.06709	0.2
69.07069	0.8
69.54024	0.2
70.06586	2.6
71.42327	0.2
72.35438	0.2
75.16286	0.2
81.04539	4.8
82.05320	94.3
83.06099	95.7
84.04507	2.0
84.05869	0.3
84.06431	1.6
84.08113	1.1
91.78620	0.2
93.04527	0.5
94.02958	0.2
95.01318	0.2
95.02440	0.4
95.04974	0.2
95.06089	3.5
100.02502	0.3
111.00793	0.7
111.04494	2.5
111.05561	100.0
112.03938	0.6
112.05093	1.5
112.05897	2.1
112.07600	4.3
112.08737	0.6
118.03587	0.2
126.05790	0.2
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
53.03936	4.5
55.01661	1.0
55.01873	11.9
55.05509	50.1
57.03428	1.7
65.03933	2.0
67.05500	5.6
69.03427	12.5
69.07051	1.1
70.06580	1.4
70.20413	2.4
71.04991	1.8
75.36467	1.0
77.03911	3.2
79.05488	1.6
81.07048	4.7
82.05300	2.9
82.48442	1.1
82.49178	1.1
82.78758	1.0
83.04972	5.8
83.06102	3.3
83.08618	12.1
84.08150	1.5
91.05476	26.0
93.07039	39.7
94.07372	1.2
95.04961	12.3
95.06059	2.3
95.44361	1.1
96.05785	1.4
101.80379	0.9
105.04488	7.0
111.04437	5.9
111.05596	4.8
111.08073	100.0
112.03965	1.1
112.07582	5.9
112.08357	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03945	4.5
55.01871	8.9
55.05511	47.7
55.15804	0.9
57.03429	2.3
58.39954	0.8
65.03921	1.3
67.05499	3.6
69.03428	8.5
69.07047	1.0
69.50294	3.3
77.03924	3.8
80.51451	0.9
81.07043	3.4
82.05314	1.4
83.04988	4.8
83.06107	1.4
83.08615	12.7
91.05479	21.7
93.07044	39.4
94.07442	1.0
95.04958	13.3
95.06097	1.0
96.05752	1.9
105.04510	4.9
109.08951	0.9
111.04462	6.1
111.05541	2.5
111.08078	100.0
112.03975	1.6
112.07603	2.6
112.08424	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	1111.6554
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09698	34.6
91.05476	2.1
96.08121	0.5
98.06048	41.3
100.04002	0.4
103.05419	1.2
104.94428	0.5
114.09131	1.3
115.08653	1.6
115.74468	0.4
116.07100	0.9
119.04884	1.1
120.08092	23.2
123.09148	1.0
124.11221	9.6
126.05503	39.3
136.07565	14.4
138.12776	4.8
140.14319	1.1
140.38086	0.4
141.10214	52.4
147.04413	0.4
148.69792	0.4
151.12341	2.1
151.31927	0.4
153.10248	0.5
157.12189	0.7
157.13354	7.6
165.10213	0.9
167.11784	17.7
169.09708	82.9
169.13312	2.4
170.09755	1.7
172.11209	10.4
174.12804	0.8
177.10193	1.0
179.08122	1.1
183.14914	46.5
184.11269	0.7
184.28421	0.4
185.12831	3.1
186.09160	1.0
186.12376	1.4
188.10667	5.0
188.14317	2.3
193.12083	1.3
195.11273	59.3
196.11623	0.6
197.09198	1.4
197.12831	2.9
204.13933	0.7
204.27777	0.4
209.16565	0.6
211.14391	35.9
212.14009	1.8
215.15427	0.6
217.13396	3.5
217.16968	0.7
219.14931	5.4
228.17136	0.9
230.11736	0.4
233.12904	0.6
233.16449	3.5
238.12196	0.5
238.12871	0.6
238.15469	8.0
243.14940	0.8
245.12839	4.1
247.14436	2.3
249.15997	4.1
253.17029	1.0
254.18620	10.1
259.17844	0.5
261.15921	3.2
264.17038	0.5
265.16687	1.2
266.14969	77.6
267.15240	0.5
269.16568	1.1
271.14426	0.7
277.15460	1.9
281.19858	0.6
282.18094	23.5
283.14804	0.6
283.17642	3.0
285.19614	1.0
287.17627	0.6
287.21219	0.9
308.19736	1.2
310.21240	0.6
313.19196	0.5
314.18579	0.8
315.16962	0.6
316.16592	2.6
327.17078	0.9
332.19815	1.2
333.22778	1.0
335.20828	0.7
341.18613	0.6
342.18115	1.5
344.19635	1.0
351.23880	40.6
358.21490	0.7
360.22855	0.7
361.22534	0.5
363.20334	1.2
365.22037	0.7
368.19678	1.0
374.20682	15.4
375.20834	0.5
378.25018	1.2
379.23370	66.2
380.23651	1.1
385.22382	1.8
391.23215	0.7
401.25595	5.3
413.21951	3.9
415.23547	0.6
429.24982	3.8
433.28183	0.6
443.25986	0.4
448.29126	0.6
453.28250	0.7
457.28583	0.8
459.29581	4.2
464.32199	0.5
471.26276	0.7
473.27814	0.7
476.29282	1.0
478.29874	0.6
487.29114	8.0
492.31821	1.6
497.27963	0.9
498.30707	15.2
500.32071	0.5
512.28510	0.7
521.27649	1.1
523.29486	0.8
525.32483	0.6
526.30194	24.3
528.31976	1.9
542.29401	0.7
558.36670	0.7
570.36212	0.6
584.34564	3.0
586.36139	1.9
597.37476	9.8
620.34265	4.7
625.37000	88.2
626.37354	2.2
634.35840	4.7
639.38196	1.3
655.37872	1.4
681.39569	0.6
705.43213	1.7
710.46198	0.6
722.42389	1.7
733.42706	19.2
734.42340	0.5
738.45490	11.8
743.41449	0.5
747.44653	2.1
752.43286	3.6
788.43561	1.5
802.45007	1.2
807.51172	1.2
830.47485	0.7
835.50751	8.1
837.51068	0.5
846.51184	3.6
856.49579	0.9
865.51733	5.0
873.51636	0.5
885.50177	0.5
899.50586	1.1
901.51544	5.7
948.58398	1.1
969.27039	0.5
970.57104	1.5
998.57019	25.8
999.57813	0.9
1012.58490	5.8
1083.65771	8.7
1111.65405	100.0
1112.64722	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	1112.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05464	0.3
81.03414	0.5
83.04977	42.2
84.05350	0.2
85.02901	93.7
87.04476	1.0
89.03902	2.3
91.05479	3.1
93.07037	0.4
95.04964	0.6
97.02885	1.7
99.04445	1.0
101.05988	0.6
102.04660	0.3
103.05447	0.7
105.07021	0.7
109.02880	0.4
109.32011	0.2
111.04438	26.2
111.46927	0.2
115.05458	0.6
117.03375	4.8
119.04156	0.4
119.04939	3.7
121.06501	0.4
122.03642	0.7
124.05167	0.2
127.03912	5.3
127.04863	0.3
129.05472	13.6
130.04141	0.5
131.04958	0.4
133.02814	1.7
133.06471	0.9
134.03644	0.3
135.04420	1.2
137.05974	10.2
145.02835	11.4
147.04399	2.7
149.05960	2.6
150.06738	0.7
151.07494	2.1
153.05504	0.8
157.03903	0.3
158.03511	0.2
160.05215	0.3
161.05971	3.2
162.06772	3.2
163.03920	0.7
163.07536	0.6
165.05565	0.5
165.09004	0.2
171.06516	100.0
172.06792	0.6
173.05922	1.0
174.73143	0.2
175.03922	1.4
177.05463	23.7
179.07030	4.7
186.03069	0.3
189.05476	0.5
193.04970	0.5
195.87196	0.2
201.05475	8.0
203.07060	0.4
207.06532	0.3
213.05536	0.5
215.07043	0.3
219.06425	0.4
219.59660	0.2
222.06834	0.3
229.07098	0.4
231.06541	1.3
231.08611	15.3
233.05960	0.6
234.06859	0.4
235.07516	0.2
237.09088	0.4
247.07594	0.3
249.09326	0.3
250.06187	0.5
259.09705	0.3
262.06375	0.4
265.08557	1.1
277.08649	0.8
292.07373	0.3
293.08002	1.0
294.09140	0.2
299.19724	0.2
305.08029	1.4
307.09549	0.9
309.11200	0.9
311.12720	0.3
321.09567	0.5
322.08069	0.4
323.09158	0.7
325.10684	8.4
335.11273	0.3
337.10712	5.5
339.10773	0.8
341.10144	0.7
343.11768	0.6
351.10614	0.4
355.11737	14.4
363.10709	0.9
373.12848	4.9
376.48325	0.2
393.11661	0.5
465.14841	0.3
467.13239	1.7
487.15863	1.9
499.15860	2.7
517.17041	1.5
535.18219	2.0
587.08282	0.2
601.78711	0.2
626.01123	0.2
730.43561	0.3
765.25378	0.9
800.25616	0.2
1112.35376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09699	73.1
87.05584	1.1
96.08122	2.7
98.06049	34.8
111.25848	0.5
112.11266	1.0
112.22984	0.4
113.10793	0.6
115.05447	0.6
115.08716	1.7
116.07111	0.6
117.05728	0.6
122.06039	2.5
125.07104	3.0
126.05508	26.3
130.06519	10.2
130.07442	0.9
132.08096	4.8
137.10690	0.4
138.12759	6.9
139.08652	10.5
141.10219	18.4
142.06552	1.2
144.08081	2.2
149.10808	0.6
150.05533	1.0
151.12337	2.0
154.15939	0.5
156.08145	0.6
157.13399	1.2
159.09169	28.4
160.09589	0.5
165.10303	1.1
165.13887	0.6
167.08147	15.0
167.09506	0.8
167.11794	11.5
168.06618	1.2
169.07623	4.0
169.09717	25.5
170.05977	7.2
171.09233	1.0
172.07260	0.5
177.10210	1.2
177.13899	1.3
178.05037	0.4
178.09676	2.7
178.11130	0.6
179.11778	0.9
180.57156	0.5
181.07573	0.4
183.14919	29.7
184.07513	0.4
184.10846	1.0
185.07173	0.6
185.10809	0.9
185.12894	0.5
187.08739	1.8
189.67918	0.5
193.09737	0.7
193.12141	1.3
194.12968	0.7
195.07631	10.6
195.11282	16.5
197.07080	1.0
199.18132	1.3
201.10327	0.7
204.11459	1.3
209.10796	0.6
209.16640	0.9
210.16060	1.3
211.08806	0.6
211.12369	1.0
211.14392	14.0
212.10280	10.8
212.12256	0.4
212.14232	0.8
214.09747	5.3
219.11324	1.1
220.10858	0.5
221.07228	0.6
221.09207	3.9
224.10287	4.8
227.15428	2.2
227.17490	0.6
228.17085	0.6
236.10172	0.5
237.13861	3.0
239.08241	1.9
239.15405	2.1
240.11449	0.5
242.09235	0.5
247.10880	0.5
248.10472	0.6
249.08752	4.2
250.11980	1.3
251.21463	0.5
254.18797	2.3
255.14799	0.8
256.10794	2.7
256.18170	2.0
262.19321	1.4
264.13556	0.9
265.13010	1.0
266.11505	5.3
266.14819	1.0
268.16757	0.5
272.17773	1.4
273.13599	1.1
280.16760	1.7
280.20328	3.5
282.18173	8.7
283.14035	5.9
284.10327	8.5
292.13126	1.3
294.10809	0.5
300.17120	1.5
301.12921	6.6
301.15802	0.6
307.20993	1.3
308.14139	0.8
308.19644	18.1
309.15823	0.8
320.12744	0.5
325.18881	0.9
325.22501	1.6
327.14636	0.9
334.17746	1.7
336.13583	0.5
351.20490	1.2
353.16257	1.2
353.23480	0.6
360.19293	0.8
362.17276	0.6
365.22125	0.8
367.27219	1.4
377.21664	2.2
379.19998	0.9
381.15176	2.2
381.19794	0.8
382.20917	0.7
388.18591	0.5
395.26517	4.8
396.22449	2.3
397.22693	3.0
398.18665	0.8
405.25174	0.7
414.21420	2.0
422.25092	0.6
424.19528	2.1
448.27524	0.7
450.28854	1.5
452.19342	0.8
466.28479	7.3
469.21960	1.2
476.27692	0.6
480.35562	0.8
483.27246	0.9
492.28601	1.4
494.27722	20.4
495.28519	0.5
508.34988	4.0
509.30765	7.7
511.26193	2.9
527.29150	0.6
537.28619	0.8
563.29779	4.0
565.27936	1.2
580.32373	3.7
582.30701	1.9
591.29193	10.7
591.37946	0.8
594.40228	0.9
605.36383	2.2
607.36121	1.8
608.31836	27.7
609.32782	0.8
622.39258	9.5
650.36719	0.9
667.40118	0.8
678.36499	1.7
679.36365	1.0
688.35272	0.7
695.38794	7.2
705.37726	1.5
720.44116	1.5
721.40607	3.5
748.41309	3.1
759.37604	2.8
763.46320	0.9
764.45459	0.8
776.40643	5.6
780.48077	1.7
791.44458	4.7
792.44598	1.7
793.44019	1.2
808.47046	11.2
809.47290	0.8
815.54205	0.9
833.53351	0.5
834.48871	3.1
861.49554	3.1
872.46155	2.9
889.49188	17.3
905.52264	1.3
974.57471	3.0
984.56793	0.6
985.54376	2.9
1001.62299	0.9
1002.57654	40.5
1003.58929	2.1
1018.61389	0.7
1087.66443	6.8
1098.63501	5.0
1115.66077	100.0
1116.65894	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	1119.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02896	1.8
87.23001	1.2
88.24404	1.2
89.03963	1.5
89.15211	1.2
89.68242	1.1
94.06564	4.7
95.08586	1.3
97.02880	1.9
103.11289	1.1
108.08128	2.3
108.35652	1.1
120.08108	1.9
122.06023	14.4
134.05992	4.5
136.07567	11.0
138.09088	2.0
140.07088	2.8
146.05974	3.0
163.03819	2.8
164.04295	1.4
164.07037	7.4
166.08664	6.3
174.05643	1.6
177.05534	1.4
181.05035	2.9
209.10948	1.1
213.10120	2.0
221.10693	2.4
222.11528	3.6
223.08632	4.2
223.12288	3.2
224.13058	2.8
225.10153	11.4
225.13731	1.9
235.08623	4.0
235.12260	3.9
236.09203	2.3
236.13022	2.8
237.10170	8.7
237.13803	6.9
238.10887	8.4
239.11819	9.2
240.12419	1.4
241.09637	1.8
247.12329	2.4
248.09506	4.8
249.10214	14.0
250.10901	18.7
250.12900	1.2
251.08125	7.7
251.11766	32.6
252.12589	9.6
253.13361	3.8
254.10715	1.6
255.14948	2.5
262.11032	2.1
263.08743	2.1
263.11771	33.9
264.08780	2.3
264.09506	1.5
264.12585	25.9
265.09775	11.9
265.13333	58.6
266.10468	5.2
266.13977	7.2
267.11215	1.6
267.14911	6.0
269.12857	2.9
275.11884	1.6
276.12744	2.2
277.09705	10.0
277.13107	2.2
278.10446	6.8
279.11255	19.5
280.12012	2.9
281.10059	1.6
281.12836	8.9
283.10736	8.7
283.13580	1.6
291.11310	8.7
292.12134	2.5
293.09518	2.2
293.12799	24.2
294.13678	10.3
295.10742	9.1
295.14383	5.3
296.11545	14.5
297.12283	8.4
298.13089	3.1
301.13324	1.6
305.09290	2.9
306.10016	1.5
307.10767	1.3
309.12289	59.7
310.12943	8.3
311.13879	84.1
312.14447	2.3
313.15326	1.4
319.10861	8.0
319.14059	1.7
320.11478	3.3
321.12262	12.6
323.10233	2.4
323.13989	1.6
324.11063	7.6
325.11774	4.8
333.12201	1.6
337.11804	64.3
338.12549	27.1
339.13391	93.0
340.13940	2.2
341.15076	1.9
353.14713	1.5
357.14484	6.8
358.15295	2.3
359.16367	1.7
369.14426	83.2
370.15076	4.9
371.16000	100.0
372.16675	4.3
376.20340	1.7
386.18506	3.0
387.15991	2.2
400.16202	1.8
404.19598	1.4
414.18088	7.1
416.19739	15.9
432.19131	27.0
442.17569	11.6
460.18674	86.0
461.18973	1.6
462.20245	5.1
478.19781	2.4
480.21262	51.9
492.21246	80.8
510.22443	1.6
512.24243	1.8
557.27832	2.8
578.24347	1.5
583.25214	2.7
601.26526	96.0
602.26648	2.6
604.22266	2.3
614.26886	2.9
622.23767	5.8
633.29095	24.5
636.24890	2.9
642.26514	71.7
643.26880	2.0
654.26764	1.6
672.27057	2.6
690.14307	1.3
719.33228	7.9
727.28961	3.2
745.30969	7.5
763.31763	91.2
764.31183	2.2
795.34454	22.2
889.35242	1.5
912.21155	1.5
925.36346	5.2
1119.29980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
77.86688	0.6
79.05479	0.7
83.04986	2.6
85.02906	4.6
89.03914	2.3
91.05492	1.3
95.04939	0.8
97.02882	3.9
105.07005	0.9
111.04446	1.0
115.03956	1.1
117.03394	1.9
119.08553	0.6
121.06474	0.7
124.07598	3.1
126.38479	0.7
127.03921	0.8
129.05453	1.0
133.10126	1.7
135.04428	4.0
135.08063	0.8
136.07585	1.7
145.02882	2.7
151.22136	0.6
152.07066	2.0
163.03888	27.2
164.07083	2.5
166.08568	0.9
168.14052	0.8
174.09166	0.8
176.07149	1.8
182.08170	2.1
182.15396	1.1
186.05434	0.6
188.07129	2.6
188.10716	0.6
189.07832	0.8
190.08652	4.2
198.07054	0.7
201.07883	0.8
202.08636	2.9
203.09404	6.2
204.10149	4.5
206.08115	1.3
208.09702	1.1
212.10791	0.8
214.08655	1.0
215.09421	1.3
216.10196	5.8
217.10970	2.5
218.11786	1.5
219.08969	0.9
220.09752	1.8
221.10455	15.4
221.12468	1.1
222.11317	1.4
228.10205	1.7
230.11768	2.3
234.11215	5.6
235.12021	1.8
242.11818	2.3
252.56883	0.7
256.13272	1.6
260.12869	1.5
262.10733	0.9
274.14346	1.1
298.18115	1.3
312.19458	3.6
322.17902	1.2
325.08984	3.3
330.20816	1.5
340.19098	10.0
356.22354	0.8
358.20068	7.6
364.58817	0.7
385.24808	24.1
386.25546	1.8
403.25891	76.1
404.26520	7.6
454.29163	1.0
476.29648	0.6
481.34329	0.9
499.35306	4.9
517.36340	100.0
518.36633	1.8
679.41675	1.1
727.33978	3.7
841.44708	46.1
842.44910	1.9
846.84534	0.7
847.13556	0.8
849.66516	0.6
987.50964	4.3
1119.55212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.6555
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06570	0.7
84.08138	0.7
86.09698	13.8
91.05472	11.8
93.07010	0.2
95.04966	0.4
96.43330	0.2
98.06047	35.9
98.09669	0.5
98.22691	1.0
100.07589	1.1
103.05412	1.6
105.07013	1.0
107.04946	1.0
108.08096	0.8
109.07617	0.4
114.09047	0.3
115.08676	2.0
116.07066	0.7
118.06516	0.5
119.04935	7.5
120.08094	21.5
121.06472	0.7
124.11221	3.3
126.05505	29.0
126.88187	0.2
130.06442	0.3
136.07565	100.0
137.07063	1.5
137.07956	0.3
138.12770	11.9
139.12247	0.3
140.14365	1.6
144.08022	0.3
148.06415	0.2
148.07564	0.3
149.10774	0.3
150.12708	0.3
151.08659	0.3
151.12300	2.4
152.08218	0.3
152.10541	0.2
153.13835	0.3
154.15855	1.3
164.07013	0.5
165.10226	0.8
165.12596	0.4
165.13881	0.4
166.12224	0.4
167.11787	13.1
167.15433	0.5
168.13884	0.3
169.13348	24.7
169.83995	0.3
170.09641	1.4
171.30286	0.2
172.11195	9.2
174.12788	1.3
177.10234	0.9
178.10948	0.5
179.11787	0.8
181.09880	0.3
183.14912	18.5
185.16444	1.5
188.10696	0.7
188.14316	2.5
190.12277	1.3
193.09747	0.4
193.12106	1.4
194.12892	0.7
194.70566	0.2
195.11273	19.7
196.11580	0.4
196.13303	0.4
197.12836	15.7
198.12837	0.4
199.12334	0.3
200.10638	0.6
201.13908	0.3
204.13837	0.6
211.14398	10.8
212.13928	2.3
213.15985	1.1
215.11804	0.7
217.11252	0.3
217.13345	6.1
218.11844	0.5
219.18575	0.4
227.11896	0.5
229.99492	0.2
233.12830	42.9
233.16277	5.8
234.13106	0.5
235.14389	7.8
237.19615	0.9
238.12361	0.6
239.13852	0.3
243.11276	0.4
243.15022	0.3
245.12846	5.4
249.78639	0.2
253.16985	0.9
260.14017	0.6
261.12335	34.8
261.15906	3.7
262.12762	0.5
262.19370	0.3
263.13901	1.8
264.20828	0.3
266.18494	0.4
271.10947	0.3
271.18112	0.7
278.15036	1.1
280.20154	0.2
285.19598	2.6
287.21222	0.7
289.11884	0.5
292.20166	0.7
294.18115	3.5
297.16119	0.3
297.19269	0.4
298.19183	0.9
301.19415	0.4
301.22766	1.0
303.20715	0.4
308.19708	1.9
310.21301	1.0
311.20972	0.3
312.17084	0.8
313.18985	1.1
315.20764	0.6
324.22714	0.5
326.18649	1.9
329.18582	0.4
329.22318	0.5
330.18130	4.6
330.21872	0.5
331.20303	0.3
332.19632	5.5
335.17545	0.3
341.18668	1.0
342.18091	1.2
344.19556	1.1
357.19211	0.8
358.17545	34.1
358.21033	2.4
359.17352	0.4
359.21289	0.5
360.19113	10.4
374.20694	0.6
375.20218	3.8
377.25690	0.3
379.27084	1.0
391.23376	0.6
398.24338	0.7
405.24982	0.4
407.26471	4.7
408.19037	0.3
411.24002	0.7
421.28403	0.3
426.23755	0.3
427.22913	0.3
429.24890	22.3
430.25436	0.4
441.25027	0.3
445.28101	0.5
455.22977	0.9
456.26151	0.9
457.24310	32.6
458.24908	0.8
460.22382	0.5
471.29785	0.6
473.27380	0.9
474.27267	0.7
476.32135	0.3
497.31372	0.4
504.31616	0.9
505.24448	0.4
511.33133	0.3
520.34027	0.4
525.30261	0.3
526.33514	0.8
531.28845	0.4
540.31995	0.7
542.33240	4.3
554.34021	3.0
556.34821	0.2
559.29120	0.5
568.31226	2.9
569.34033	0.2
570.32751	14.0
571.32587	0.3
572.91217	0.2
585.33710	1.1
587.35712	0.7
592.00232	0.3
592.34686	0.4
604.31104	0.8
618.32440	0.3
620.34216	1.1
638.39417	0.4
639.38672	1.7
651.38330	0.6
653.36774	0.7
667.38165	11.4
668.37640	0.3
684.40594	0.3
689.40192	4.8
717.39600	26.4
718.39905	0.7
736.45062	0.3
752.46796	0.9
764.43640	2.0
766.48584	2.2
780.46362	8.9
785.45850	1.1
786.45667	0.5
814.44659	1.8
816.45886	1.0
828.44501	0.3
830.47467	0.4
835.50311	0.7
863.49988	3.7
879.53943	0.4
885.52026	1.9
899.53461	1.8
913.51746	15.3
914.51642	0.4
927.53186	14.3
976.40332	0.4
976.58777	3.6
981.58453	0.4
982.56781	0.7
994.58582	0.4
1010.57001	3.2
1024.58691	3.7
1026.60681	1.5
1078.63501	0.5
1095.65918	16.1
1096.67273	0.5
1105.64087	0.4
1123.65454	89.7
1124.64758	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	1126.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
77.92140	0.1
79.05476	0.3
81.03412	3.3
81.07057	0.2
82.00568	0.1
82.04185	1.0
82.38877	0.1
85.02901	2.7
89.03925	1.4
91.05482	0.2
92.77616	0.1
93.03406	0.7
95.01337	0.2
95.04961	1.7
97.02888	1.2
97.06537	0.9
99.04434	0.4
105.04520	0.2
108.02081	0.6
109.02875	1.4
109.06495	0.4
110.03671	1.2
111.04420	0.7
117.03366	3.1
119.04989	0.2
123.00753	0.3
123.04422	1.0
125.02341	0.3
125.05967	0.9
126.15626	0.1
127.03905	0.4
133.47981	0.1
134.03555	0.2
135.04395	0.2
137.02321	0.2
137.05966	0.5
138.03117	1.1
140.04678	5.1
142.02606	0.5
145.01671	0.3
145.02843	6.3
149.05994	0.8
153.05449	2.2
155.07019	2.5
163.03903	0.3
165.05490	0.8
171.06520	4.1
171.07959	0.3
177.05461	12.1
178.05725	0.2
181.04942	100.0
182.05254	0.6
199.06007	8.8
265.52689	0.1
325.09143	5.0
339.10770	0.6
343.10214	14.3
507.15762	0.2
594.55798	0.1
655.28516	0.2
691.63983	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	1132.6879
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09701	41.7
87.05567	0.7
87.10025	0.4
96.08125	1.6
98.06047	19.1
98.09680	0.4
112.11228	0.9
113.10774	0.6
115.05421	0.4
115.08685	0.9
116.07081	0.6
117.05769	0.4
118.06538	0.4
122.06020	1.4
125.07118	1.6
126.05511	14.9
126.06443	0.8
130.05641	0.6
130.06523	5.9
132.08075	2.3
138.12766	3.9
139.08655	6.7
141.10225	10.5
142.06541	0.6
144.08075	0.9
150.34526	0.4
151.12303	0.9
153.06593	0.5
154.15883	0.7
157.13319	0.7
159.09169	17.4
160.07501	0.5
165.10300	1.0
167.08154	9.1
167.11795	7.0
168.06612	0.7
168.08156	0.4
169.07573	1.4
169.09715	14.2
170.05989	4.2
171.09192	0.5
177.10251	0.6
177.13820	0.5
178.09740	2.0
178.11063	0.5
183.14908	18.2
184.07484	0.8
185.12767	0.5
187.08656	1.1
193.09645	0.6
193.12035	0.7
194.12962	0.5
195.07629	5.8
195.11266	9.0
197.07124	0.4
199.18021	1.3
204.11224	0.4
210.15948	1.1
211.12544	0.5
211.14421	7.3
212.10278	5.9
214.09727	2.6
219.11241	0.4
221.09169	1.8
221.12668	0.5
224.10400	2.2
227.15364	1.3
227.17429	0.8
237.13956	2.0
238.11804	0.7
239.08052	1.1
239.15440	1.2
247.10823	0.4
248.10088	0.6
249.08662	2.6
250.11920	0.9
254.18700	1.0
256.10757	1.3
256.17950	0.6
262.19150	0.6
263.13892	0.4
266.11374	2.9
272.17596	1.2
273.13455	0.7
280.16702	0.8
280.20172	1.7
282.18158	6.0
283.14090	3.6
284.10208	4.5
292.12802	0.7
300.17041	1.7
301.12900	3.7
307.21121	0.8
308.19662	12.4
309.15607	0.4
325.22458	0.5
334.17532	0.8
336.13147	0.6
351.20975	0.5
353.16003	1.1
353.23248	0.4
360.18909	0.6
365.22110	0.6
367.27036	0.6
368.22165	0.5
369.18869	0.5
377.21674	1.0
379.23553	0.5
381.15421	1.4
388.18631	0.6
395.26477	1.6
396.22318	1.7
397.22446	2.2
414.21045	0.8
422.24188	0.5
424.20081	0.9
435.16748	0.7
450.28503	0.8
451.88474	0.4
466.28641	4.8
469.21796	0.4
483.26840	0.5
494.27664	12.1
508.34750	1.8
509.30865	3.1
511.26489	3.0
534.34906	0.4
563.29834	2.3
580.32190	1.6
582.30121	1.0
591.29114	4.1
608.31818	12.6
622.39191	5.7
634.33038	0.6
679.35864	0.7
684.45068	0.4
695.38928	2.6
705.36963	1.0
720.44141	0.7
721.39862	1.3
748.41058	1.9
759.37402	0.6
763.44360	0.6
776.41028	2.8
780.47986	0.7
791.44318	2.7
792.42731	0.6
808.33661	0.6
808.47107	8.5
809.46802	0.9
815.53265	0.7
834.47626	1.2
861.48645	1.2
872.46008	1.0
889.49091	6.9
974.57306	0.6
985.53748	1.2
1002.57751	13.3
1003.57904	0.6
1087.66199	3.0
1098.63208	4.7
1115.66101	100.0
1116.65942	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	1136.528
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	1.9
81.03413	1.1
83.04986	3.2
85.02895	12.2
89.03902	5.6
91.05448	1.2
95.04942	1.0
97.02892	6.4
107.04975	1.0
108.91159	0.8
111.04441	2.6
115.03928	2.8
117.03351	3.3
124.07588	1.4
127.03870	1.3
129.05464	1.9
135.04396	6.3
136.07535	1.0
145.02864	5.0
152.07036	2.4
163.03889	47.8
164.04311	0.9
164.07060	1.7
165.12750	1.0
168.09384	0.8
174.05496	0.8
174.09120	2.1
175.06219	1.1
176.06998	1.6
181.04984	1.9
182.08147	2.7
188.06975	1.7
190.08643	3.1
201.07788	1.0
202.08655	2.1
203.09392	1.3
204.10219	3.1
208.09691	1.9
216.10207	7.0
217.10890	1.4
218.11714	1.3
219.09015	1.3
220.09659	2.7
228.10132	1.6
230.11714	1.2
234.11249	13.3
235.11880	1.6
242.11732	1.9
244.13297	1.5
246.11162	1.1
247.12192	1.1
260.12741	1.5
261.13681	1.3
262.14386	1.3
274.14566	1.1
312.19666	1.5
314.17517	1.6
325.09198	5.4
340.19046	4.7
356.22192	1.4
356.89600	1.0
358.20145	5.7
390.22821	1.2
395.07172	1.1
402.22757	16.7
403.23492	2.4
418.25705	2.2
420.23788	45.9
421.24478	12.7
436.26874	1.2
516.33160	3.4
517.36572	1.7
534.34229	100.0
535.34167	1.9
679.13458	1.0
680.39569	3.2
744.31757	4.6
858.42590	36.6
859.43640	1.3
1004.48260	5.1
1136.50146	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	1137.671
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06563	0.3
84.08157	0.5
86.09696	34.4
91.05456	1.5
95.04977	0.3
98.06045	39.0
99.85468	0.3
100.07623	0.4
103.05450	1.1
105.07043	1.0
107.04922	0.3
114.05485	0.4
115.05440	0.4
115.08681	0.8
116.07070	0.5
119.04942	0.6
120.08095	14.2
121.06542	0.3
124.11249	0.6
126.05502	33.6
129.06984	0.3
130.06522	0.3
131.04947	0.3
136.07567	9.5
136.11220	0.3
137.10748	0.4
138.12761	6.1
139.12309	0.7
140.14397	0.3
144.08102	0.5
147.61916	0.2
149.10765	0.6
151.12285	2.9
154.15874	0.6
157.08859	0.3
165.10263	1.1
165.13885	0.7
167.11786	17.3
167.15509	0.8
169.13347	23.1
170.09680	1.1
172.11195	7.9
174.12834	0.4
176.89574	0.2
177.10144	1.2
178.11005	1.0
179.11845	0.8
181.13354	0.4
181.43703	0.2
183.14911	22.8
185.16466	1.2
186.09099	0.5
188.10707	2.8
188.12239	0.3
188.12582	0.3
188.14314	4.1
191.04298	0.3
192.11377	0.3
193.12050	2.6
194.12946	1.0
195.11270	26.1
196.14638	0.5
197.12834	18.5
198.12984	0.3
201.13800	0.2
204.13919	1.1
210.16017	0.4
211.14391	20.9
212.13843	1.3
213.16058	0.7
214.15427	0.3
215.15498	0.4
217.13339	4.8
221.12799	0.3
228.17162	0.7
229.91978	0.3
233.12891	1.0
233.16451	1.3
238.12344	0.5
239.13901	0.5
245.12846	4.3
246.11243	0.4
248.17627	1.0
249.15941	3.9
251.21271	0.4
253.16985	1.1
259.14331	0.5
261.12106	1.1
261.16162	0.6
262.19324	0.9
266.18643	3.0
266.21320	0.3
277.15424	1.3
280.20129	1.6
282.21838	1.1
285.19565	2.3
292.16544	0.3
293.19815	1.4
294.18088	23.7
295.18439	0.4
297.19351	0.3
301.19232	0.6
305.15063	0.4
307.21378	0.9
308.19644	18.7
309.19995	0.5
310.21173	5.4
311.20761	0.7
313.19238	0.9
325.22394	1.7
329.18759	0.4
341.18591	1.0
342.18051	1.2
346.21225	2.7
357.18176	0.7
358.17554	1.1
361.26147	0.7
361.98380	0.3
363.23941	0.3
368.23639	0.3
373.22000	0.5
374.20700	4.5
379.27039	7.6
379.31799	0.4
382.25229	0.3
391.23248	1.2
405.25308	0.5
406.27496	0.3
407.26498	20.5
408.26810	0.7
410.24292	0.5
412.22501	0.3
421.28430	0.3
424.29367	1.0
425.25967	0.3
427.27237	0.7
429.28912	0.5
441.25116	0.5
443.26523	9.9
455.26538	1.4
457.28271	0.6
459.29861	0.9
471.25983	18.9
472.26453	0.5
475.32867	0.3
487.29553	0.6
488.28998	0.4
501.25891	0.3
520.35083	0.9
526.33868	4.8
526.41455	0.4
554.33319	20.6
555.33417	0.6
556.34894	4.9
584.34357	27.1
585.35376	0.7
590.33221	0.4
618.32733	2.0
623.39093	0.6
634.36102	0.4
651.38428	1.9
664.04681	0.3
667.41644	3.4
681.39874	1.1
683.41455	0.8
686.39325	0.8
697.43097	0.7
703.41455	2.1
717.39703	0.7
731.41144	16.2
732.40997	0.6
736.46625	0.4
764.46039	0.6
785.46210	0.8
799.47980	1.0
802.47217	0.3
816.50085	0.7
828.47058	0.6
830.48010	4.1
833.53192	0.4
844.49567	11.8
849.51599	0.5
861.52063	2.7
877.51459	2.3
898.55286	0.4
927.53265	0.5
941.53638	0.4
943.57434	0.3
974.61237	0.7
990.59943	2.6
996.58685	0.9
1024.58557	15.1
1025.58057	0.7
1040.61816	1.0
1109.67371	7.7
1119.66357	0.6
1136.65051	1.0
1137.66760	100.0
1138.66467	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	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.03937	3.1
54.62628	0.9
55.01862	2.9
55.05507	1.5
57.03437	15.1
58.06594	2.2
59.04981	2.8
63.67944	1.0
69.03428	100.0
70.03742	1.9
70.06583	8.1
70.74070	1.1
70.74389	1.1
71.01353	20.6
73.02914	7.6
74.93810	1.1
75.04470	2.2
77.01769	1.0
84.04507	1.5
85.02409	1.7
85.02905	31.6
87.04468	6.4
88.07632	1.8
89.03913	1.0
97.02894	25.6
115.03941	7.3
115.05440	18.0
115.09472	5.2
116.07104	1.4
116.10726	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	1151.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
83.30477	0.3
84.14210	0.3
86.09703	66.4
90.53470	0.4
91.05492	1.0
98.06051	37.6
98.23396	0.8
101.91581	0.3
103.05479	1.4
105.07024	1.3
107.04971	0.6
115.08730	1.2
116.07127	0.4
119.04924	1.0
120.07457	0.3
120.08102	14.9
126.05510	31.8
130.06482	0.4
136.07576	9.4
137.72679	0.3
138.12769	7.4
141.10194	0.4
144.08081	0.4
149.10768	0.6
151.12292	2.2
154.15926	1.0
156.08073	0.4
165.10291	1.4
165.12703	0.4
165.13931	1.2
167.11795	17.1
167.15448	0.9
170.09694	1.4
172.11217	7.9
172.12587	0.5
177.10292	1.4
178.11050	1.0
179.11775	0.7
183.14922	45.4
183.66032	0.4
188.10742	2.8
188.14311	4.2
193.12036	2.9
194.12929	0.8
195.11284	24.9
195.15012	0.7
199.18141	1.5
204.13972	1.1
210.16054	0.7
211.14409	37.8
212.13823	1.8
214.12428	0.3
217.13370	4.5
217.17015	0.5
219.18669	0.6
227.17563	0.7
228.17175	1.0
233.12904	0.9
233.16554	1.3
238.12241	0.6
239.13866	0.5
245.12906	2.8
246.11147	0.6
249.15945	3.3
251.21091	0.4
253.17110	1.2
259.14508	0.5
261.12415	1.4
261.16156	0.7
262.19125	2.2
262.85165	0.4
269.16605	0.8
277.15543	1.1
280.20187	3.6
285.19727	2.3
296.23395	2.0
297.16034	0.4
301.19302	0.6
307.21313	1.5
308.19672	40.0
309.19894	0.5
313.19000	0.8
324.22760	4.5
325.22260	2.5
329.18649	0.6
341.18753	1.2
342.18301	1.6
346.21237	2.3
348.26910	0.6
357.18069	0.8
358.17426	0.9
358.21396	0.8
372.22748	0.5
374.20676	4.3
374.41241	0.4
375.27597	0.5
377.25668	0.4
393.28589	8.2
393.33365	0.4
405.25156	1.2
410.24503	0.9
421.28067	17.6
427.27353	1.3
438.30786	1.5
443.26410	9.1
455.26495	3.1
459.29474	0.5
471.25946	17.2
487.29578	0.5
511.32593	0.7
534.37085	0.6
539.32397	0.5
540.35364	5.2
556.34784	5.2
568.34955	21.3
584.34412	24.2
585.35114	0.7
587.15509	0.5
590.33936	0.8
618.32690	1.9
634.36542	0.4
653.43146	0.6
665.39563	1.8
681.43396	4.1
686.38971	1.1
697.43018	1.7
703.41907	2.3
731.41174	15.0
766.48730	0.4
778.47809	1.0
799.47443	1.9
816.50104	1.2
828.46283	0.6
844.49451	13.4
845.50024	0.5
847.54559	0.6
863.53516	0.7
875.53900	3.9
891.53735	1.4
895.02301	0.6
941.55145	0.7
976.63055	0.5
988.60889	1.1
1004.61401	2.9
1010.60254	0.8
1038.60181	17.5
1039.60059	1.0
1054.63281	1.7
1123.69312	9.7
1124.68787	0.5
1133.68408	0.5
1151.68616	100.0
1152.68616	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	1153.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06554	0.5
84.08134	20.8
85.02919	0.3
86.09693	3.6
87.05582	5.0
91.05480	1.2
94.06526	0.2
96.08119	0.4
97.07638	0.5
97.95278	0.2
98.02428	0.2
98.06042	11.9
100.07593	0.2
101.10779	0.3
101.28366	0.2
103.05450	0.5
107.04966	0.5
110.06006	0.2
111.09195	0.7
114.09136	0.3
115.05013	0.4
115.08687	2.6
119.04943	0.4
120.08091	9.2
121.06514	0.3
122.05973	0.4
123.09203	0.3
124.11199	1.8
125.07095	3.1
126.05498	9.3
127.08692	0.3
129.10226	17.6
130.06519	2.0
135.09154	0.5
136.07567	4.6
137.07074	0.4
138.12761	3.9
139.08643	1.7
141.10220	0.5
147.04387	0.3
147.09174	0.2
149.10722	0.2
151.08624	1.1
151.12253	1.1
152.14334	0.9
153.06587	0.3
153.10164	0.2
155.15372	0.2
160.07594	0.4
163.03926	0.7
163.08664	0.3
165.10234	0.6
165.13858	0.4
166.09755	0.5
167.08139	8.5
167.10359	0.3
167.11778	2.8
169.11957	0.3
169.13350	6.3
170.09572	0.2
172.07573	1.1
172.11217	0.7
175.08630	1.7
177.10193	0.6
177.58055	0.2
179.11781	0.7
181.13351	1.5
183.14912	8.7
184.10802	4.7
185.09230	0.3
186.09111	1.5
188.10683	4.9
189.10213	0.5
190.12256	0.5
191.08180	0.2
191.11757	0.2
193.11986	0.4
194.09167	0.2
194.12895	0.3
195.07613	2.4
195.11275	6.0
197.12868	2.5
197.16402	0.3
199.08618	0.4
200.07042	1.2
202.12210	1.0
204.11310	0.3
211.14394	4.1
212.10271	21.3
212.13872	0.7
213.08720	0.4
213.13895	0.4
217.09692	2.3
218.12854	0.5
229.13052	0.7
231.14926	0.8
233.12854	2.2
234.12329	4.4
240.09851	0.3
241.13332	0.6
243.11546	0.2
244.10776	0.4
245.09224	0.7
245.12859	0.4
246.12358	0.5
247.14415	0.8
254.14870	0.2
257.12781	1.8
261.12231	1.8
262.11826	1.3
263.15192	0.3
264.13425	0.6
264.16937	0.4
269.16537	0.2
272.10284	0.5
274.15475	3.2
276.17053	3.2
278.15115	0.3
279.14420	0.2
280.20117	0.2
281.16116	1.7
286.15399	1.6
287.17542	0.3
289.12976	0.2
291.14490	1.7
292.13031	0.3
292.16644	0.3
292.20181	0.3
294.18066	0.6
296.13678	0.2
308.19632	0.7
309.15530	9.5
310.15237	0.2
313.19345	0.2
314.14954	2.8
320.16010	0.2
326.18170	0.7
328.20239	0.4
329.18552	0.2
331.17636	2.5
338.14847	0.4
341.16052	0.8
342.14511	0.5
355.17590	0.3
356.19604	0.7
358.18671	0.3
359.17105	5.2
363.23999	0.2
372.19684	0.3
373.18430	1.2
376.19827	1.0
386.18707	0.3
390.21320	0.4
400.19650	0.3
401.17993	0.2
405.24963	0.2
407.26715	0.4
410.21893	0.4
411.20010	1.1
421.22293	1.1
425.21503	0.3
428.22873	6.4
438.21240	0.3
439.19354	0.4
452.22427	0.3
456.22470	2.6
469.25342	0.2
470.23904	1.3
473.25287	1.3
487.26862	1.1
494.27884	0.2
518.24445	0.2
522.26526	0.3
535.26807	0.5
536.24908	0.3
539.29895	0.2
546.06714	0.2
553.28088	0.2
567.29352	0.9
570.32751	0.4
584.31830	6.0
585.31750	0.3
605.31317	0.2
615.28687	0.4
622.33502	0.2
632.32190	1.2
652.33911	0.4
698.41632	0.5
702.35474	0.4
712.34277	0.2
719.38983	0.8
729.37073	2.0
730.35571	0.3
747.38013	2.1
780.43915	1.2
925.48022	0.6
929.51587	0.3
943.50732	1.3
957.51648	3.0
959.52582	0.2
990.57074	0.4
1054.55054	0.2
1108.61072	0.3
1125.64526	3.0
1135.62646	2.7
1136.60706	2.3
1140.73914	0.2
1153.63953	100.0
1154.63928	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	1155.6276
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05014	0.6
83.78104	0.5
84.08121	0.7
86.09698	5.4
91.05482	2.5
93.07042	1.0
95.04959	0.8
98.06047	41.8
100.07584	0.6
103.05452	3.3
104.05315	5.8
105.07051	0.4
107.04893	0.6
108.08132	2.2
110.09673	0.6
115.08658	1.1
119.04942	0.7
120.08096	62.4
124.11243	3.1
126.05508	31.1
126.76186	0.4
134.14099	0.4
136.07574	10.3
136.08617	0.5
137.07121	0.5
138.12766	10.8
140.14305	0.4
148.07597	1.1
149.10751	0.5
151.12314	1.9
164.06866	0.4
165.10266	1.6
167.11798	13.8
167.13223	0.8
169.13354	18.7
172.11530	1.1
175.08929	0.6
177.10213	1.1
178.11015	0.7
179.11775	0.7
181.09767	0.8
183.14888	2.8
183.18607	0.6
185.16499	0.9
188.10733	1.7
193.12172	1.8
195.11282	24.7
197.12836	16.1
197.14584	0.8
197.33971	0.5
199.12325	1.0
199.18158	0.7
201.10542	1.5
201.13812	0.4
204.11287	0.5
211.14400	2.1
212.13947	1.6
217.13344	28.8
219.11342	1.0
219.18501	0.5
221.16573	1.5
222.09595	0.9
227.11768	0.5
228.21596	0.4
229.10223	0.8
233.12920	1.0
245.12848	23.3
248.17715	0.8
250.12355	0.5
251.21228	0.5
261.12439	1.1
262.15543	0.8
265.19318	0.7
266.18622	2.7
267.11765	0.5
282.21805	0.8
283.14349	4.2
285.19632	0.4
293.19821	1.0
294.18094	21.2
296.17728	1.2
307.20303	1.2
308.14206	0.7
308.19629	0.8
309.22733	0.5
310.21182	4.9
311.13879	0.6
311.20947	1.8
314.18750	1.7
326.15353	4.1
339.94492	0.4
342.18118	17.6
359.20776	2.5
361.26111	0.8
379.26965	6.7
380.19760	3.6
391.23553	0.5
397.22598	0.6
407.21100	1.0
407.26471	18.8
408.19144	6.3
418.89545	0.5
423.29376	0.5
425.22302	0.7
427.26498	0.5
459.24106	0.6
477.24963	13.4
492.35318	4.6
504.25702	0.5
505.24469	17.4
510.76611	0.5
520.34912	21.8
521.35046	0.5
538.30597	2.2
539.23419	0.9
545.31299	0.8
560.28613	5.5
602.30371	0.7
608.28827	4.7
617.40686	1.0
618.32806	0.8
623.39832	0.6
636.28491	26.8
637.29120	1.0
651.38885	7.5
657.33997	0.9
701.37000	0.6
721.37048	1.1
731.41101	1.1
733.34045	2.3
749.36914	8.4
750.37067	0.5
769.43665	0.7
786.45343	0.6
814.45093	5.1
832.40735	0.6
846.42261	0.7
861.52618	1.1
862.45215	8.5
901.46423	1.7
929.45715	5.4
930.48730	0.5
945.49884	0.6
961.53290	0.8
992.55676	0.9
1014.54822	1.2
1024.57874	3.2
1042.54102	12.2
1042.74988	0.9
1043.54553	0.9
1058.57324	1.9
1079.63000	3.0
1127.38782	0.7
1127.63257	10.6
1155.62622	100.0
1156.62500	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	116.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71073	0.3
56.93137	0.4
57.05811	0.7
58.06596	8.5
67.51210	0.4
69.25781	2.3
70.06586	8.3
71.04983	0.6
72.04494	0.4
74.09702	0.4
74.93163	4.2
76.31422	0.3
88.07622	7.0
98.09708	1.6
101.08382	0.8
116.07070	0.9
116.10722	100.0
117.11067	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	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20328	0.1
57.05812	0.5
58.06596	8.1
59.06931	0.2
60.94681	0.1
70.06587	2.3
70.91341	0.1
71.04977	0.4
73.05271	0.1
74.50543	0.1
75.63593	0.1
83.07389	0.2
88.07626	6.7
98.09680	1.0
98.71681	0.1
101.08400	0.5
116.10724	100.0
117.11060	2.7
124.99143	0.1
133.32321	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	116.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05805	0.5
58.06593	8.3
69.75723	0.1
70.06587	1.5
70.69409	0.2
70.69755	0.2
71.04980	0.4
72.08134	0.2
83.07292	0.2
88.07619	7.4
89.07944	0.2
98.09702	1.0
101.08363	0.6
116.10717	100.0
117.10341	0.2
117.11059	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95480	0.4
52.18721	0.5
55.86753	0.4
62.01578	0.8
63.02375	19.2
70.59544	0.5
71.04987	2.0
71.28599	0.5
79.05512	0.4
89.03912	100.0
90.04247	2.9
91.05483	2.9
95.04970	2.7
96.16083	0.4
105.04523	1.5
105.33181	0.5
115.05430	3.9
116.06228	0.5
117.03380	2.2
117.07018	5.7
117.11047	0.8
118.06531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71305	0.5
50.72765	0.6
56.35887	0.5
59.08182	0.6
60.05396	0.6
61.26245	0.5
63.02372	19.8
63.05420	0.5
63.44888	0.5
64.02724	0.6
67.28391	0.5
69.79793	1.5
69.80181	1.0
71.06924	0.7
72.04538	0.6
72.08150	0.9
76.86589	0.5
79.05417	0.6
81.30691	0.5
89.03915	100.0
90.04255	2.8
91.05476	1.8
92.66881	0.5
95.04966	2.0
95.67120	0.6
98.22612	0.5
105.04560	0.8
115.05438	3.2
116.82301	0.5
117.03365	3.1
117.07019	4.6
117.10331	0.6
117.11069	2.3
118.06531	1.7
132.39134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03941	2.4
53.91979	0.3
54.14221	0.4
54.87376	0.4
58.61597	0.4
62.01586	0.7
63.02375	20.0
64.02710	0.4
71.06909	1.2
71.43036	0.7
72.08150	0.6
77.03935	1.6
79.05480	0.7
85.43366	0.5
89.03912	100.0
90.04237	2.9
91.05469	3.9
95.04967	12.5
98.97589	0.6
104.36147	0.4
105.04514	4.9
110.79369	0.4
112.93977	0.4
115.05444	5.2
116.98646	0.7
117.03361	2.8
117.07025	5.2
118.04194	0.6
118.06535	8.5
118.07308	0.8
131.29340	0.4
134.99638	0.6
135.49478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0913
Annotation	3-ethoxybutan-2-one
Peak:m/z	Relative Intensity
53.03947	1.2
55.05486	0.9
56.96545	1.8
57.03428	2.3
63.02377	7.2
63.57172	1.1
71.04988	100.0
71.06924	2.5
72.05312	2.7
72.08136	2.6
76.93362	1.7
77.03913	1.8
79.05495	2.4
81.07072	5.0
89.03910	44.7
90.04266	2.1
91.05464	2.9
95.04987	4.8
98.00710	1.0
98.97560	2.8
99.08083	23.4
105.04506	2.8
105.30166	0.8
105.43997	0.9
108.81311	1.0
115.05448	3.2
116.98609	3.2
117.03390	2.4
117.07000	4.4
118.06528	5.1
134.99661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.6219
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06601	0.5
84.08128	1.6
86.09697	5.2
89.45110	0.5
91.05472	3.2
93.07047	0.7
95.04930	0.6
98.06049	35.5
98.22643	1.5
100.07564	0.8
103.05482	3.7
107.04962	1.4
108.08120	2.1
110.09669	0.6
115.08660	0.6
116.85609	0.4
119.04907	0.9
120.08096	57.3
124.07569	0.5
124.11205	3.9
125.07071	2.9
126.05505	27.5
128.07095	0.5
131.04933	0.6
132.08076	1.9
136.07558	12.8
138.12769	9.2
138.38066	0.5
147.04428	1.2
148.07573	1.7
151.08665	0.6
151.12292	2.3
153.06601	1.7
153.10225	3.0
161.10536	0.5
164.07069	0.5
165.10291	3.1
167.11792	13.6
167.13208	0.7
169.13350	18.2
172.11195	0.6
177.10223	1.0
178.23756	0.4
179.11845	0.9
180.54774	0.4
181.09692	6.7
182.06331	0.7
183.14897	2.8
185.16475	0.7
188.10716	1.3
192.80698	0.6
193.09744	0.8
193.12126	1.5
195.11278	21.8
197.12816	12.2
201.13884	1.9
202.08705	0.6
204.11349	0.7
206.12852	0.5
211.14420	2.4
212.13954	1.3
214.15466	0.9
217.10304	2.6
217.13345	30.2
219.11232	0.7
221.12840	0.7
221.16510	1.2
222.12230	0.5
227.11818	0.6
229.13286	0.9
230.08104	3.8
231.11731	0.5
233.12943	0.4
241.15546	0.5
245.09650	1.3
245.12830	17.7
247.10684	0.9
249.07195	0.5
249.15738	0.6
250.11899	1.6
251.21362	0.8
255.14865	0.6
257.12854	1.6
260.13992	0.7
261.12451	0.8
266.18591	4.7
278.14969	2.4
282.21719	0.7
283.14355	3.9
292.07703	0.5
293.19620	1.3
294.14816	1.0
294.18091	16.4
296.17535	0.6
307.19977	0.5
308.19910	0.6
310.21136	2.6
311.10638	0.7
311.13971	0.7
311.20657	1.0
314.18607	3.7
316.16547	1.0
318.75275	0.6
327.13431	0.8
342.14935	0.7
342.18109	13.5
345.40564	0.6
349.22357	0.9
359.20810	1.7
377.15576	0.5
377.21527	1.0
378.18033	0.6
379.26923	5.4
380.19690	4.1
394.17661	1.2
407.21069	0.8
407.26468	12.1
408.19229	4.0
413.22202	1.0
414.02609	0.5
439.22769	0.5
441.21478	1.5
454.20874	1.4
459.23743	1.4
477.24893	12.7
490.30011	0.8
491.23010	2.2
492.35699	2.4
505.24396	14.1
520.34918	9.1
522.26892	0.6
554.29846	1.3
555.22681	1.3
560.28961	2.4
588.28174	9.7
603.38342	1.6
617.39679	1.0
618.32581	0.9
652.27960	16.0
657.33405	0.6
667.38525	7.2
673.37427	0.7
685.32953	1.3
701.36871	0.6
717.36133	0.7
737.36029	0.8
749.33142	1.3
764.45874	0.7
765.36298	7.3
766.44543	1.0
785.42590	0.8
814.43591	0.6
830.44696	3.3
833.41003	0.6
861.52716	0.7
863.38611	0.7
878.43475	3.6
881.44879	1.0
917.45404	1.5
945.45264	9.0
977.49805	0.7
994.53027	2.0
1024.58264	1.2
1058.53723	10.6
1074.55688	1.4
1079.62305	3.6
1107.62170	25.5
1108.60791	1.6
1143.62280	9.3
1144.62573	0.8
1153.59839	1.2
1171.62146	100.0
1172.62109	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	1172.5816
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06567	0.8
83.06078	1.9
84.04497	22.5
84.08108	0.4
91.05475	7.6
94.06543	0.5
98.06041	9.6
98.22687	1.6
99.09218	1.2
100.07610	1.2
101.07130	16.4
104.04663	0.8
104.05323	11.1
107.04956	2.4
108.08117	5.2
110.09676	0.9
112.08730	0.6
113.07119	0.9
114.05483	1.5
115.08680	55.7
116.07090	1.2
118.06516	0.5
119.04948	4.4
120.08101	1.0
121.06492	1.5
124.11225	6.2
125.07095	0.8
125.10706	0.9
126.05495	5.6
126.12783	0.4
129.06577	5.4
134.06030	0.4
136.07564	52.6
137.07085	1.7
138.09146	2.1
139.08618	0.5
145.06468	0.4
146.05972	0.9
147.04387	2.6
148.07581	1.6
151.12277	1.3
152.08124	0.7
153.10214	76.0
155.11780	0.9
156.08408	0.6
157.06116	2.5
158.09932	0.6
164.07042	0.8
165.10255	1.7
167.11800	4.4
169.13347	33.2
174.09154	1.5
176.07079	0.6
179.11781	0.7
181.09654	2.7
182.12901	4.5
183.07797	0.7
183.09639	0.7
183.11244	6.5
185.11061	0.5
186.09142	3.5
188.10686	16.0
190.12271	4.2
193.09671	0.8
194.12761	0.6
195.11287	6.5
197.12839	22.1
198.12349	22.9
200.10689	0.4
200.13910	3.8
201.10542	57.5
202.08635	0.7
207.14941	1.0
208.10785	1.2
209.09152	2.3
210.12405	1.7
211.10834	0.5
213.10593	0.6
215.11691	0.6
216.10193	1.3
217.13397	0.8
219.11407	0.5
221.09344	0.4
222.09431	2.0
223.18079	0.7
224.13914	0.9
226.11838	88.6
227.12080	0.9
228.13507	2.3
229.10037	43.7
230.08215	0.5
230.12035	0.6
233.12822	46.2
234.13182	0.6
237.13513	0.7
238.11922	0.6
243.11346	1.5
243.14627	1.5
245.12836	0.7
246.12784	2.1
248.10258	0.5
254.11584	0.6
259.18045	0.5
261.12332	27.2
262.15546	1.4
266.18530	0.7
267.11636	4.4
271.14465	3.3
277.09970	1.0
278.15030	1.7
278.18399	0.5
279.18073	0.6
280.16608	5.8
287.17523	4.2
290.14987	0.5
294.18076	4.8
295.11261	1.0
297.19168	6.5
298.15952	0.5
299.13898	1.1
300.13449	0.7
305.16135	0.9
307.17706	1.7
308.16339	3.4
310.15744	1.4
315.16986	1.8
316.16614	1.3
319.14767	1.5
323.17108	3.9
325.18689	26.4
326.15231	3.6
328.16998	0.6
344.16251	1.7
347.14410	1.0
349.22311	1.1
351.17017	1.1
353.18173	1.1
354.14600	0.5
358.17514	3.7
360.19263	0.9
364.16852	4.4
371.17151	1.1
372.15851	0.8
374.15149	0.8
375.13660	0.7
375.20313	1.5
378.17908	0.5
389.18213	2.8
392.16357	14.4
392.21262	0.8
394.24689	1.9
396.19147	0.6
397.22717	0.5
405.21371	0.4
406.17667	1.3
413.22107	0.6
420.16107	0.7
422.23816	4.2
424.18829	1.8
425.22220	2.5
429.25034	0.8
443.23047	1.3
457.24414	2.1
458.24060	1.0
460.25815	0.7
461.22354	2.3
473.22318	0.5
486.23410	7.2
488.25180	2.0
489.21603	5.5
491.23389	0.6
493.30936	2.0
504.28290	1.1
506.24316	0.6
510.20609	0.9
521.23956	0.8
521.30792	17.9
553.27759	0.7
557.30798	5.3
560.29053	3.5
568.27679	1.5
585.30267	31.2
588.28412	11.7
589.28986	0.9
618.36969	0.5
624.28522	3.7
639.35547	0.7
649.30023	1.2
652.27887	14.0
653.28076	0.5
682.35919	1.5
684.36920	1.0
685.33301	2.0
687.34955	1.6
703.34375	1.3
706.31915	0.6
716.34296	2.9
720.36810	2.0
748.36401	9.0
749.41199	2.8
751.34430	0.6
753.42737	1.8
764.40070	0.6
781.42261	14.5
786.37891	1.2
796.17517	0.5
813.39386	1.2
820.40259	1.6
831.32208	0.5
848.40082	14.6
849.40295	1.2
863.06177	0.4
877.38892	5.2
879.40491	0.8
884.47687	1.0
894.43982	0.8
901.80560	0.4
912.46252	5.7
944.48120	3.4
945.46613	0.7
947.47137	0.7
948.46417	3.9
958.44409	0.6
959.42987	1.8
976.45825	24.7
977.46228	0.8
1009.51587	2.0
1030.51465	0.7
1045.51697	0.6
1061.54333	0.7
1073.51245	10.6
1075.52771	1.7
1096.58044	1.8
1127.54419	0.8
1128.57458	0.8
1137.54456	0.7
1144.58813	13.0
1145.58667	0.8
1154.58069	0.7
1155.55371	6.2
1172.58069	100.0
1173.58826	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	1172.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06583	0.7
84.50813	0.3
86.09702	1.9
90.57095	0.3
91.05486	0.6
95.06135	0.5
96.08161	1.1
97.07640	2.5
98.06049	5.9
99.09220	0.8
103.05488	0.8
104.05321	5.8
104.05933	0.5
108.08131	0.7
112.08717	4.0
113.07120	5.3
115.08697	2.9
116.07154	0.7
120.08091	9.4
124.08767	0.6
125.07117	1.9
126.05507	3.9
138.12827	1.2
140.08223	0.8
143.08243	1.2
151.12372	0.8
151.51720	0.4
153.10210	9.3
157.10928	0.4
157.13387	0.7
164.11899	0.5
166.13470	0.6
167.08176	0.6
167.09412	0.5
167.11766	2.9
168.06613	0.5
172.11302	1.7
176.11920	0.8
185.10356	4.4
191.11867	1.3
192.11398	1.2
193.12234	0.4
193.14500	0.8
194.12878	3.7
195.11269	10.1
200.10904	0.5
201.10551	7.1
201.13835	0.4
205.12663	0.4
206.09956	0.8
209.14093	0.6
212.14066	1.6
216.15163	0.5
217.13487	1.3
219.11440	1.1
220.10954	0.5
227.11890	0.9
229.10007	6.3
237.13446	7.3
241.14369	0.4
242.12947	0.9
244.14507	0.6
245.12952	0.9
251.12112	2.3
254.16080	7.0
259.15506	1.8
273.21112	0.4
279.11874	0.9
290.15112	0.4
306.19363	0.6
308.14493	1.4
326.15198	1.9
332.17325	0.6
342.18408	0.4
348.17511	0.5
350.15515	0.5
352.16171	0.5
356.20856	0.9
373.23734	1.6
376.16882	3.4
384.20435	1.1
398.52875	0.4
401.23499	0.5
411.84479	0.3
412.19547	0.4
419.21509	0.6
445.22806	2.1
447.21069	1.4
453.26428	0.4
473.22269	2.9
516.26636	1.6
544.26239	1.5
626.36505	0.4
629.35144	0.6
681.35449	0.4
772.37280	0.7
1155.56494	0.9
1172.59143	100.0
1173.59790	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01576	1.1
51.02378	5.8
51.75602	0.6
53.03708	1.4
53.03944	21.1
53.36123	0.9
55.01877	0.9
58.06593	1.0
70.45948	0.8
72.08141	1.1
77.03922	16.0
81.03400	1.7
91.04945	1.3
91.05473	18.0
92.05758	1.2
93.07033	0.8
95.04960	100.0
96.05293	1.5
98.22700	0.7
103.05461	1.2
104.06274	1.8
105.04504	41.8
116.05798	3.2
117.06992	2.7
118.06536	61.8
118.07320	4.3
118.08682	1.9
119.06097	1.0
119.06857	2.3
119.08575	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	6.6
51.43935	1.0
53.03696	1.6
53.03943	18.4
55.01865	1.7
58.06598	2.3
58.60868	1.0
59.07352	1.1
64.44825	1.1
69.94482	3.5
72.08149	2.8
77.03918	14.2
81.03410	1.3
82.21580	1.2
84.00134	1.0
91.05479	22.0
92.05814	1.3
93.07024	1.1
95.04964	100.0
96.05300	1.4
103.05462	2.2
104.06249	2.8
105.04510	44.5
106.04848	1.3
116.05791	4.9
117.07009	3.0
118.06541	69.1
118.07316	4.8
118.08673	4.0
119.06106	1.5
119.06903	2.8
119.08572	12.7
119.92591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	2.1
51.02375	4.4
53.03947	18.6
55.01861	1.2
55.05492	1.7
58.06577	1.2
63.02390	1.1
65.03951	4.7
71.38274	1.2
72.08150	6.4
76.93365	2.7
77.03928	15.4
89.03907	2.1
90.04259	9.7
91.05474	23.7
95.04964	100.0
95.49023	0.8
96.05286	1.9
105.03800	2.0
105.04511	42.1
106.04831	1.0
117.07019	1.1
118.06538	69.4
118.08659	2.7
119.04922	5.1
119.06120	1.3
119.06908	2.3
119.08553	2.5
119.34649	0.8
129.40179	0.9
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
51.02375	1.2
53.03939	3.2
55.05505	1.8
57.93061	0.8
58.06594	1.4
59.43328	0.8
65.03941	9.2
65.09325	0.9
70.06580	0.9
72.08149	8.9
73.87834	0.8
76.93365	1.4
77.03934	2.5
90.04257	3.8
91.05476	87.2
92.05786	1.1
94.94402	1.1
95.04964	17.2
99.73969	0.7
104.06194	0.9
105.04512	7.6
105.60774	0.7
111.04402	0.9
112.03159	0.7
117.05774	4.0
117.07015	1.5
118.06538	100.0
118.08662	2.4
119.04939	17.3
119.06052	2.1
119.06841	2.0
119.08546	5.0
135.67110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01599	1.0
51.02377	5.0
53.03944	17.1
55.01874	1.1
65.03924	1.3
66.56168	0.7
72.08176	0.9
72.49234	0.8
77.03926	25.4
81.03445	1.1
82.47594	0.7
83.22414	0.8
89.45712	0.7
90.04244	0.9
91.05464	8.4
95.04964	100.0
96.05296	2.2
104.60835	0.6
105.04511	44.3
106.04892	1.0
111.48484	0.7
118.06537	62.7
119.04910	1.0
119.06146	1.0
119.06939	1.8
119.08578	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.5
51.02378	5.2
53.03707	1.2
53.03948	20.0
55.01867	1.3
55.23862	0.8
65.03941	1.3
69.78333	1.8
69.78725	1.4
72.08147	1.5
74.98219	0.8
77.03928	17.0
79.05491	0.9
81.03396	1.4
84.80670	0.9
89.03907	2.2
90.04697	1.7
91.05479	15.7
95.04965	100.0
96.05294	1.8
103.52637	0.8
104.06261	1.8
105.04514	48.2
106.04836	1.0
117.06988	2.2
118.04171	9.9
118.06540	65.9
119.04951	1.7
119.06060	1.0
119.06896	1.7
119.08577	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02385	5.3
53.03703	1.6
53.03943	17.8
55.01863	1.1
65.03944	1.3
72.08143	3.2
77.03927	18.5
79.05511	1.0
81.03419	2.3
88.03886	1.0
91.05477	16.5
93.07005	1.3
95.04962	100.0
96.05295	2.6
103.05477	1.4
105.04510	42.5
117.07018	3.1
118.06535	66.3
119.04922	1.9
119.06136	1.1
119.06881	1.9
119.08582	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	1.5
51.02375	5.3
53.03944	21.0
69.08775	9.6
72.08147	2.5
74.75927	1.2
77.03923	19.3
81.03410	2.8
90.04290	1.4
91.05482	19.7
94.18108	1.1
94.43102	1.3
95.04964	100.0
96.05283	1.9
97.95144	1.3
103.05443	2.9
105.04513	46.2
117.07034	4.7
118.06543	70.3
119.04973	2.7
119.06052	1.2
119.08575	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05539	5.0
67.43221	4.6
67.46012	4.1
70.42030	8.4
91.05470	10.9
101.00869	31.7
103.02398	5.2
107.05239	5.8
107.39923	4.1
114.47865	4.4
119.01907	100.0
119.06025	4.8
120.01997	7.2
125.35147	4.5
137.02911	29.9
138.04033	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53793	3.2
65.03925	4.3
69.31312	18.2
86.52676	3.1
91.05479	23.0
101.00883	22.7
102.00980	3.2
113.28592	3.3
119.01917	100.0
119.06057	13.7
119.08562	3.7
120.02008	3.7
120.05556	8.2
120.21131	3.3
137.02939	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02989	7.1
56.96564	6.2
57.03388	4.0
62.97736	3.2
65.03937	9.3
67.02991	10.8
69.06427	3.6
70.78558	4.2
70.78882	4.8
74.06062	4.6
84.01183	7.9
91.04948	6.4
91.05481	100.0
92.02499	18.1
100.02480	13.2
100.05119	5.4
100.54153	3.9
101.00880	30.2
101.02592	15.4
101.04207	19.4
101.54072	11.0
102.02198	17.9
119.01923	83.1
119.03564	84.1
119.04903	18.0
119.06084	6.7
120.02019	6.0
120.03262	6.4
137.02962	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.05035	1.0
63.51906	0.9
65.03931	4.1
67.05511	1.5
69.52676	3.0
69.53084	2.1
73.57950	1.0
77.03918	1.5
78.04719	2.6
79.05495	7.7
91.05479	87.8
92.05813	2.3
93.07028	4.8
95.04968	6.3
98.23388	2.1
102.09171	3.1
103.05461	11.9
104.06253	13.4
105.04522	1.6
109.06530	1.3
115.05462	5.7
116.47289	0.9
117.06281	1.7
117.07024	19.6
119.06064	7.9
119.08577	100.0
120.05597	3.9
120.08087	4.9
120.08919	4.4
120.10234	2.0
135.64716	1.1
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
51.02369	0.7
53.03942	1.1
54.34321	0.4
65.03937	4.2
71.12434	0.6
77.03917	1.6
78.04310	0.5
78.04711	1.6
79.05487	7.7
91.05476	100.0
92.05807	2.7
93.07042	6.7
94.39894	0.4
95.04977	5.4
96.05288	0.9
102.04687	0.7
103.05463	13.3
104.06249	12.3
105.04490	2.8
106.04826	1.0
109.06502	1.6
115.05453	5.8
117.07012	35.1
118.07319	0.9
119.06067	2.4
119.08574	88.7
120.05567	0.9
120.08093	1.0
120.08907	3.7
121.06525	0.8
131.06055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.43723	0.5
58.29428	0.5
65.03942	5.0
71.43073	0.7
77.03915	1.5
78.04711	1.8
79.05482	6.9
85.70960	0.6
91.05476	100.0
92.05814	3.4
92.20821	0.6
93.07042	6.3
95.04964	5.6
96.05310	1.0
98.67514	0.6
102.04675	0.7
103.05463	16.9
104.06253	13.4
105.04505	2.3
109.06507	1.6
115.05458	7.8
117.07014	43.8
118.07341	1.8
119.04932	1.5
119.06175	3.6
119.08575	85.1
120.04533	0.6
120.05520	0.6
120.08083	2.4
120.08902	3.3
121.06507	1.1
131.06021	1.0
132.56862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
60.25920	0.4
65.03931	3.9
66.89413	0.4
67.05532	0.6
71.43108	0.5
77.03932	1.7
78.04295	0.5
78.04706	1.8
78.93180	0.4
79.05490	7.4
80.62653	0.4
81.41684	0.4
85.28770	0.5
90.16116	0.4
91.05479	100.0
92.05810	3.0
93.07048	6.5
95.04970	5.7
96.05294	1.1
102.04652	0.7
103.05468	16.1
104.06250	14.1
104.06943	0.7
104.09676	0.4
105.04498	3.0
105.06516	0.5
109.06503	1.5
115.05456	8.0
115.06259	0.9
117.07019	42.6
118.07355	1.2
119.06084	2.7
119.08576	91.5
120.08126	0.8
120.08919	3.4
121.06511	1.1
131.06052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.0
65.03943	3.7
70.74824	0.8
77.03928	2.1
78.04708	1.0
79.05492	6.6
91.05477	100.0
92.05808	3.2
93.07052	7.4
95.04964	6.8
96.05334	1.0
102.04631	0.6
103.05466	15.8
104.05598	0.6
104.06258	10.9
105.04525	2.3
109.06509	1.7
112.74908	0.6
115.05450	6.6
117.07018	45.0
118.07346	1.5
119.04941	1.1
119.06222	2.4
119.08575	79.7
120.05469	0.7
120.08150	0.6
120.08904	2.6
121.06505	0.9
131.06078	0.9
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
53.03945	0.7
61.26704	0.2
65.03929	1.7
65.40939	0.3
77.03915	0.3
78.04681	0.4
79.05479	2.4
91.05477	100.0
92.05811	3.2
93.07029	1.4
95.04957	1.3
103.05471	2.6
104.06255	2.2
105.04520	0.5
105.34813	0.3
115.05444	1.5
117.07018	9.9
118.07336	0.4
119.06055	0.8
119.08577	25.3
120.08150	0.3
120.08929	1.0
138.41357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
53.03943	1.4
59.04139	0.5
61.14431	0.5
65.03933	5.0
71.44356	0.7
77.03920	1.3
78.04701	0.9
79.05491	7.0
88.89507	0.4
91.05473	100.0
92.05804	2.6
93.07038	6.9
94.01895	0.5
95.04961	5.5
96.05316	0.9
102.04715	0.5
103.05463	16.4
104.06248	12.0
105.04493	2.0
109.06517	1.3
115.05453	6.6
117.07009	33.2
118.07339	1.2
119.04984	2.5
119.06141	3.3
119.08569	80.8
120.05560	1.4
120.08081	3.4
120.08915	2.9
121.06519	0.6
128.77902	0.4
131.06029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
92.04739	0.2
106.02636	0.1
121.05025	0.1
123.05301	0.4
123.06573	0.1
134.05774	0.1
135.05315	0.2
136.07561	0.1
137.06833	0.2
138.05240	0.1
147.05315	0.1
149.06860	0.3
151.04758	0.1
152.03195	0.1
153.10237	0.1
161.06830	0.3
163.03902	0.3
163.08470	0.4
165.06427	0.1
169.13342	0.1
174.84627	0.1
175.08377	0.4
176.10504	0.1
177.06337	0.3
178.07065	0.1
179.04268	2.1
182.02460	0.2
189.09933	0.1
191.11546	0.9
192.12128	0.1
193.05843	0.1
203.07782	0.1
204.06277	0.1
204.11113	0.3
205.05853	0.2
205.09486	0.3
206.08951	0.2
214.04692	0.2
218.08980	1.1
219.11089	0.2
220.10529	1.6
221.07123	0.1
222.12138	0.2
223.08742	0.2
230.08977	0.3
232.10593	0.2
234.12073	0.2
237.12206	0.1
240.09888	0.1
246.08463	0.5
246.12173	0.3
248.10059	1.1
248.13690	0.3
253.09496	0.3
255.11087	0.3
259.14215	0.2
262.11615	0.1
262.15195	0.2
266.08121	0.1
274.11658	0.2
274.15237	0.1
275.11084	0.3
275.17203	0.1
276.09830	0.1
276.13086	0.8
276.16074	0.1
277.12747	0.3
283.10403	0.3
288.16891	0.5
289.12811	0.1
290.15179	0.1
290.18329	2.0
293.08963	0.1
297.11942	0.1
300.13168	0.1
300.16837	0.3
301.11642	0.1
301.16342	0.3
302.14795	0.3
303.10577	0.7
304.16299	0.1
310.11523	0.2
312.13147	0.4
315.14273	0.2
316.16293	0.2
317.15781	0.8
318.18015	0.1
319.17392	3.0
322.15591	0.2
329.15726	0.1
330.17798	0.1
331.09970	0.1
331.13623	0.3
331.17261	0.2
333.18811	0.2
340.16302	0.2
344.19650	0.4
345.15250	0.1
345.19061	0.2
347.16617	0.1
352.16321	0.1
354.14133	0.3
357.19104	0.1
359.16534	0.2
359.20599	1.1
361.18457	0.2
366.14117	0.2
368.15790	0.1
371.20456	1.1
372.16669	0.6
373.22116	0.2
374.18027	0.7
376.19504	0.3
379.17325	0.2
380.15543	0.2
383.16769	0.3
384.13379	0.1
386.15024	1.1
387.23550	0.3
393.15237	0.2
395.16852	0.3
397.18240	0.9
401.21567	0.6
402.17325	0.6
402.21756	0.1
407.16873	0.1
409.14713	0.7
411.16455	0.2
414.20935	0.4
416.22723	0.5
417.19308	0.2
418.17419	0.4
418.24176	0.7
419.20865	1.5
421.18399	0.3
423.20248	0.5
428.15775	0.1
428.22556	0.2
430.19891	0.2
430.24716	0.2
437.18039	0.6
441.15494	0.1
444.21942	1.1
446.22794	0.2
447.20563	0.1
452.18561	0.1
458.27841	0.4
463.19598	0.4
464.22617	0.3
465.21347	0.2
466.21146	0.1
468.25955	0.1
470.27695	0.4
471.23212	0.7
472.19067	0.1
472.24991	0.4
473.24579	0.3
478.20508	1.0
479.21686	0.1
480.22110	3.3
481.22260	0.2
482.23416	0.3
483.20389	0.3
485.21854	0.3
486.26721	0.1
492.21979	0.2
498.26682	0.1
501.27777	0.3
508.21478	0.8
511.19696	0.1
513.28278	0.7
515.29535	2.8
518.27686	0.7
522.26556	0.1
535.22290	0.3
536.23602	0.4
537.23859	0.3
539.22614	0.1
540.22241	0.2
541.26929	0.1
543.28864	0.2
549.21161	0.2
560.24670	0.3
562.26044	0.2
563.22284	0.2
568.28613	0.1
570.30035	0.4
575.18933	0.1
577.27545	0.9
579.28979	3.3
580.25775	0.3
582.18085	0.1
582.27142	2.5
584.28900	0.1
586.26044	0.1
598.29779	0.3
603.23370	0.1
612.32013	0.1
619.28552	0.1
626.33228	0.1
634.29205	0.2
636.30811	0.3
643.28320	0.7
646.26410	1.6
650.29852	0.1
661.33521	0.1
667.34766	0.3
678.35638	0.1
679.32062	0.2
681.33997	1.5
682.34143	0.1
683.37598	0.1
688.34387	0.2
691.30823	0.2
695.37750	0.3
704.33569	0.2
706.31659	0.1
732.36438	0.1
742.35052	1.1
743.39142	1.0
745.32147	0.1
773.38904	0.2
774.31744	0.1
775.27643	0.1
775.40991	1.5
778.38361	0.1
788.34705	0.6
792.37018	0.1
809.40363	0.1
830.40747	0.2
832.42664	0.2
835.38422	0.2
839.39551	0.1
842.38715	1.6
843.39142	0.2
858.42493	0.2
863.39856	0.2
871.37823	1.0
873.37512	0.1
886.44196	0.1
887.40863	0.1
889.41968	0.1
899.36426	0.2
901.44141	0.1
904.42902	0.5
906.45325	1.5
929.44525	0.1
938.47284	0.5
939.44934	0.1
941.45294	0.7
943.47949	0.3
955.49200	0.3
961.44611	0.2
963.47174	0.1
970.44623	1.3
971.47296	0.1
984.46222	0.7
985.45917	0.1
998.49170	0.4
1001.47772	0.4
1003.49841	0.7
1009.44611	0.1
1012.52124	0.5
1017.48663	0.2
1026.50415	0.5
1029.47083	0.2
1040.50940	0.2
1065.47949	0.2
1067.49939	0.8
1069.49915	0.3
1083.53918	0.4
1118.54724	0.2
1149.52393	0.2
1150.55713	0.1
1166.56702	4.3
1167.55298	0.2
1177.54236	0.3
1194.56201	100.0
1195.56421	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03936	2.5
65.03951	1.5
66.55957	0.8
74.06068	1.1
77.03923	2.6
79.05106	0.7
79.05492	5.4
91.05479	19.6
92.05798	5.2
93.04497	0.9
93.07040	27.9
94.06561	1.1
95.04969	12.0
102.04658	1.2
102.09176	1.8
103.05463	79.6
104.05129	0.8
104.05766	4.1
105.04496	3.4
105.07037	5.3
110.12026	0.8
116.61472	0.7
118.06562	2.0
118.07372	1.2
119.07315	1.8
120.04561	1.7
120.05586	5.7
120.08101	100.0
121.02882	1.3
121.03946	0.8
121.06500	6.0
121.08405	3.8
121.10139	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01595	0.6
51.02375	2.5
53.03947	8.9
54.04278	0.4
54.34478	0.3
55.01880	2.1
55.13582	0.3
56.59618	0.3
59.31788	0.3
62.39569	0.3
65.03923	2.3
66.96366	0.4
71.15307	0.4
77.03926	13.3
79.05485	1.4
80.93225	0.4
81.03426	1.1
81.04534	0.7
85.24008	0.4
91.05478	73.3
92.05804	2.1
93.04530	1.4
93.07041	64.2
93.75769	0.4
94.04176	0.6
94.06584	0.5
94.07362	1.5
95.04965	61.6
96.05293	1.6
100.02459	0.4
101.94827	0.3
102.04684	2.2
103.05464	98.6
103.87486	0.4
104.05820	3.6
105.04511	24.9
106.04837	0.5
111.04449	0.5
121.01678	1.0
121.02917	1.8
121.04110	2.2
121.06499	100.0
122.06829	3.6
126.86268	0.4
135.86444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	2.1
51.02368	4.2
52.51200	1.2
53.03943	15.7
55.01870	20.7
65.03918	2.8
66.90109	1.2
68.58622	1.0
71.22440	1.3
73.56508	1.1
77.03923	25.6
78.04234	1.2
78.04687	2.6
79.05489	30.9
81.03404	5.6
91.05476	100.0
92.01405	1.4
92.05808	2.6
93.07040	54.6
94.07381	2.2
95.04964	72.7
96.05304	2.8
103.05458	31.4
104.05801	1.9
105.04510	31.1
106.04199	1.3
121.06500	86.9
122.06841	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01592	1.1
51.02382	3.0
53.03944	15.4
55.01871	14.0
64.51036	0.8
65.03939	5.5
67.05515	0.8
70.50163	1.7
77.03925	18.9
78.04709	2.1
79.05506	3.7
81.03411	6.1
81.04497	1.2
91.05475	100.0
93.07040	73.8
94.07350	2.5
95.04964	80.0
96.05312	2.0
103.04767	1.3
103.05457	22.1
104.05776	1.4
105.04508	39.6
105.07030	2.3
107.07330	1.0
107.70083	0.9
117.25507	1.0
121.00448	0.9
121.02878	4.2
121.06499	58.1
121.10165	0.9
122.06815	1.6
122.09663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	1.2
51.02384	3.5
51.59460	0.6
53.03942	14.8
55.01863	6.1
55.05490	1.2
65.03929	2.6
67.05485	1.3
67.57619	0.5
71.04661	0.7
77.03918	21.0
78.04700	1.9
79.05482	14.1
80.05837	0.7
81.03418	3.3
85.61034	0.7
91.05469	100.0
92.05795	3.4
93.03400	0.7
93.07031	94.4
94.07362	2.9
95.04956	73.2
96.05304	2.1
98.54264	0.5
103.05453	12.9
105.04505	32.3
105.07007	11.5
106.04832	0.7
107.07336	1.9
119.08570	0.9
121.06493	39.8
121.10130	4.9
122.06814	1.6
122.09633	2.8
123.08064	1.4
133.07646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.9
53.03944	17.8
55.01621	1.6
55.01870	22.1
65.03928	4.4
68.17659	0.9
70.03270	1.0
70.68807	1.5
77.03926	21.8
78.04691	2.4
79.05489	31.3
80.05790	1.2
81.03413	6.1
91.05475	100.0
92.05812	2.8
93.07038	56.4
94.07349	1.7
95.04963	69.5
96.85789	1.3
97.99255	1.1
102.22876	1.1
103.05463	35.9
104.05808	1.3
105.04508	32.7
121.02864	1.7
121.06499	87.0
122.06837	3.2
128.01225	1.0
134.15643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.2
51.02382	4.0
53.03941	13.9
53.79728	0.7
55.01867	6.0
55.05508	0.9
57.02016	1.0
65.03934	17.8
67.05466	0.9
69.47308	3.6
77.03925	13.0
78.04708	1.9
79.05483	16.0
80.04987	1.5
81.03411	3.8
87.30710	0.8
91.05474	100.0
92.05793	3.7
93.03374	1.4
93.07038	88.5
94.06562	1.0
94.07372	2.4
95.04961	80.8
96.05259	2.1
98.23443	1.8
103.05452	18.0
103.06102	1.3
104.83618	0.7
105.04511	35.9
105.07018	24.7
106.04868	1.3
106.06584	1.5
106.07877	1.0
107.04978	0.8
107.07328	22.4
111.04446	5.5
112.03956	0.8
119.08622	1.0
120.08042	0.7
121.01977	0.8
121.02184	0.4
121.02859	19.6
121.03968	10.2
121.06498	50.7
121.07546	2.0
121.10130	6.0
122.06019	3.5
122.06792	1.5
122.09655	25.1
123.08051	2.2
123.37603	1.0
133.07628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03940	5.5
55.05503	6.0
59.39048	0.7
65.03930	1.6
67.05493	1.3
69.34507	2.4
69.34905	1.9
74.40314	0.7
75.32298	0.8
77.03928	6.5
79.05487	56.1
80.05795	0.9
81.07055	3.0
91.05475	33.6
92.05792	1.0
93.07039	61.8
94.07355	0.8
95.04959	21.5
98.23475	1.1
99.56269	0.9
103.05459	20.6
104.05774	0.8
105.04523	11.0
105.07023	100.0
106.07864	7.7
107.07311	6.3
119.08569	14.5
121.02866	2.3
121.04029	1.3
121.06506	3.1
121.10135	50.3
122.09695	5.6
122.10466	1.2
123.08062	10.7
125.37656	0.7
133.07591	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	2.2
53.03944	7.9
55.01886	1.2
55.05503	9.2
65.03934	12.7
67.05502	3.0
69.43525	5.2
77.03922	5.3
79.05486	39.3
79.80010	1.0
80.05032	2.2
80.06265	1.4
81.04515	1.2
81.07047	6.6
91.05476	48.2
92.05807	1.6
93.04511	1.7
93.07036	100.0
94.06558	2.4
94.07374	2.6
95.04961	33.4
103.05463	16.9
104.45588	1.1
105.04507	14.2
105.07024	41.3
106.07809	3.6
107.06655	1.9
107.07335	19.5
111.04421	5.1
119.08576	4.4
121.02869	15.2
121.03989	9.8
121.06503	20.1
121.07629	4.1
121.08382	1.1
121.10136	30.6
122.06025	6.0
122.06844	0.9
122.09683	15.9
123.08038	2.5
133.07599	3.1
137.32298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03949	4.5
55.01861	2.7
56.35884	0.8
65.03927	1.8
70.03219	2.7
77.03914	7.2
79.05487	38.6
81.03389	1.3
81.07059	1.0
91.05473	29.7
92.05776	0.8
93.07034	30.3
95.04960	19.8
96.64127	0.9
103.05460	19.6
105.04538	9.2
105.07023	100.0
106.07896	6.3
109.94567	1.0
119.08562	17.5
121.05620	1.2
121.06499	28.2
121.10133	53.9
122.09650	1.1
122.10423	1.8
123.08054	12.2
133.07617	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01865	2.1
55.05504	1.6
58.09655	0.7
60.88506	0.7
64.20884	0.7
65.03928	1.9
70.64287	1.5
77.03921	4.5
79.05491	34.8
80.05833	0.9
81.03423	1.0
81.07050	0.8
91.05476	25.8
92.05814	1.0
93.07043	27.0
94.72429	0.7
95.04969	24.0
103.05460	22.0
105.04521	10.5
105.07027	100.0
106.07906	5.1
107.07336	1.2
119.08569	14.2
121.02843	1.4
121.03991	1.5
121.06508	19.8
121.10142	48.9
122.06032	1.9
122.06844	0.9
122.09648	2.4
122.10458	1.2
123.08054	10.0
133.07625	8.1
134.07405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	0.6
53.03940	4.5
55.05513	4.5
65.03938	2.1
67.05496	0.7
69.02401	0.5
70.69482	1.1
77.03925	6.2
79.05488	44.1
80.05834	1.1
80.06265	0.7
81.07058	2.7
91.05476	25.3
92.05785	0.8
93.07039	48.9
94.07374	1.3
95.04966	19.1
103.05465	19.5
105.04510	7.6
105.07024	100.0
106.07228	1.1
106.07892	6.0
107.07323	1.2
119.08575	13.6
119.92353	0.5
120.08893	0.6
121.02882	2.0
121.06544	2.6
121.10138	49.2
122.09658	1.4
122.10445	1.3
123.08063	9.6
133.07605	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03945	8.6
54.12138	1.0
55.05510	8.9
67.05504	3.6
77.03933	12.4
79.05493	62.5
80.05843	1.6
80.06271	1.7
81.07050	4.9
91.05483	47.9
92.05795	1.4
93.07045	100.0
94.07383	3.0
95.04972	28.7
98.23440	2.8
103.05470	15.5
105.04517	12.3
105.07030	72.0
106.07872	8.1
107.07377	1.3
119.08592	10.3
121.10146	40.1
123.08067	7.8
133.07599	4.4
133.70224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.6
53.03946	7.1
55.01875	1.1
55.05507	9.9
65.03938	2.4
67.05509	3.5
70.79121	1.1
71.75137	0.7
72.87751	0.7
75.45551	0.9
75.62164	0.8
77.03917	5.1
79.05487	58.3
80.05833	1.2
80.06261	1.1
81.07046	4.8
84.04709	0.8
85.70972	0.8
91.05474	48.7
92.05780	1.3
93.07038	100.0
94.07381	2.8
95.04962	34.1
96.05296	0.9
103.05460	12.8
104.05792	0.8
105.04515	15.3
105.07021	52.6
106.07845	4.9
107.07335	2.1
119.08569	7.8
121.02835	1.1
121.04005	2.1
121.06522	4.1
121.07660	1.7
121.10133	30.2
122.06025	2.0
122.09700	3.8
122.10428	1.3
123.08083	4.2
133.07629	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	1.9
53.03939	5.1
55.01865	1.5
55.05503	2.6
59.11055	1.0
65.03949	5.4
67.05507	1.6
69.79380	1.9
69.79771	2.3
77.03929	4.3
79.05486	41.9
80.05812	1.0
80.06252	1.2
81.04536	1.0
81.07056	1.2
85.75357	1.3
91.05476	33.9
93.04506	2.5
93.07035	51.1
94.06569	2.1
94.07381	2.7
95.04960	33.0
103.04775	1.2
103.05463	23.2
105.04507	12.5
105.07021	100.0
106.07885	6.1
107.07338	5.2
111.55675	1.1
111.57108	1.0
119.08569	13.3
121.02924	5.1
121.03988	3.4
121.06498	29.3
121.07686	1.9
121.10133	49.8
122.06015	3.9
122.09658	7.8
122.10384	1.9
123.08044	12.9
133.07603	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.1
53.03942	3.5
55.01862	2.4
55.05497	0.9
56.49644	0.5
65.03925	1.1
68.26842	0.7
70.29512	1.5
75.20177	0.6
75.71963	0.6
77.03926	5.5
78.04657	0.7
79.05486	36.9
81.03414	1.0
81.07023	1.5
91.05473	25.4
93.07034	25.2
94.07365	1.5
95.04960	20.0
103.05464	23.9
104.05756	0.6
105.04520	7.8
105.07019	100.0
106.07877	6.7
119.08573	14.2
121.06508	20.7
121.10133	57.9
122.06853	0.7
122.10468	1.8
123.08054	11.0
133.07616	9.2
138.13417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
61.89882	0.4
65.03941	13.5
66.04721	77.5
66.63855	0.4
67.05050	1.2
67.05517	0.4
69.26201	0.6
69.26604	1.6
79.01873	0.8
79.05503	0.9
80.05016	5.1
81.07047	1.6
93.03402	1.5
93.05791	0.7
94.04183	100.0
94.06554	1.2
95.04510	2.0
95.06049	0.6
96.04478	1.4
104.05035	0.4
105.07050	1.2
107.07335	3.9
112.03940	0.4
122.03650	8.3
122.06023	3.4
122.06971	0.8
122.09663	6.5
123.05544	8.6
123.08060	0.8
123.09203	0.5
124.48408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03946	1.9
55.01871	4.7
55.05507	4.1
57.03432	1.6
57.07067	0.5
65.03936	4.7
67.05501	34.5
68.05029	0.6
68.05838	0.6
70.15509	0.5
77.03921	0.8
78.03450	0.8
78.73920	0.3
79.05490	4.3
80.04543	0.8
80.05012	14.7
80.06265	0.4
81.03416	2.6
81.07053	14.1
91.05480	1.5
93.07030	4.2
94.04206	0.5
95.01334	0.5
95.04964	11.3
95.06036	0.6
95.08598	15.3
96.04488	5.4
98.22710	0.4
98.25461	0.3
100.02482	0.6
101.00881	1.5
103.05478	1.1
105.03393	5.7
105.04527	1.1
105.07024	2.9
106.02927	1.0
108.05725	1.1
108.62447	0.3
111.05574	1.0
112.03991	1.2
118.03528	0.5
119.01916	9.7
119.02766	0.5
123.04432	100.0
123.05533	27.2
123.08064	6.4
123.09158	1.3
123.09975	0.5
123.11678	2.6
124.03954	9.5
124.04781	2.0
124.05865	0.6
137.02942	5.0
139.04967	0.5
140.03392	0.8
142.03525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02877	0.3
52.60919	0.3
53.03942	1.3
54.29810	0.3
55.01872	3.8
55.05505	1.9
56.79512	0.3
57.07060	0.6
65.03938	3.9
67.05505	18.1
68.05814	0.3
69.07057	0.4
71.62134	0.3
77.03925	0.5
78.03462	0.4
79.05495	3.5
80.05016	6.6
80.12545	0.3
81.03410	2.5
81.07055	15.9
89.96439	0.3
91.05467	0.5
93.07045	1.2
94.04175	0.4
95.04970	8.2
95.06056	0.6
95.08604	4.7
96.04501	2.1
98.22679	0.7
101.00868	0.8
105.03387	6.0
105.04511	0.7
105.07036	0.5
107.92436	0.3
108.05749	1.1
112.03964	0.6
115.60155	0.4
119.01920	5.8
121.10154	0.3
121.44940	0.3
123.04433	100.0
123.05511	10.9
123.08058	3.5
123.09160	1.0
123.10861	0.5
123.11699	4.4
124.03956	5.2
124.04789	2.1
124.05637	0.4
137.02939	2.4
142.03496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03943	1.4
53.60889	0.2
55.01620	0.3
55.01874	4.1
55.05509	1.6
57.03425	0.5
62.11651	0.2
65.03941	3.5
66.18185	0.2
67.05501	16.2
68.05030	0.3
68.05817	0.2
69.65335	0.7
77.03915	0.6
79.05475	1.8
79.63084	0.2
80.05016	3.7
80.06262	0.4
81.03397	1.9
81.07050	5.0
91.05453	0.4
93.07043	1.4
95.04967	8.1
95.08604	4.0
96.04470	1.4
101.00877	0.8
105.03391	5.0
105.04522	0.8
105.07033	0.7
108.05727	0.9
111.05520	0.2
112.03972	0.7
119.01906	4.0
123.04428	100.0
123.05487	7.3
123.08062	3.6
123.09063	0.6
123.11718	0.9
124.03950	3.3
124.04774	2.2
124.05637	0.3
124.07610	0.3
134.86661	0.3
137.02968	1.7
141.40741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.00312	0.3
53.03942	0.7
55.01868	4.0
55.05507	1.0
61.69528	0.3
65.03936	4.2
67.05500	15.1
70.06535	0.5
70.06866	0.6
77.03932	0.7
79.05486	1.5
80.05016	1.5
81.03410	1.3
81.07048	4.9
82.54017	0.2
93.07048	0.7
95.01327	0.3
95.04964	7.1
95.08595	2.6
96.04486	0.9
101.97653	0.2
105.03387	5.7
105.04487	0.6
108.05697	0.6
116.56596	0.3
119.01941	1.3
123.04420	100.0
123.05412	3.2
123.08009	2.6
123.11707	1.1
124.03918	1.0
124.04766	1.8
137.02892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02374	1.3
53.03942	6.6
55.01870	15.7
55.05505	3.7
65.03936	24.6
67.01851	1.9
67.05499	83.2
68.05035	2.1
69.03426	0.9
70.55598	0.8
71.01346	1.8
71.05128	1.4
74.01084	0.9
77.03931	3.3
78.03461	4.9
79.05473	8.0
80.05009	49.1
81.03423	6.6
81.05352	1.5
81.07050	15.2
82.01429	1.0
91.05492	1.4
93.07050	3.6
94.04181	1.8
95.01314	1.7
95.04961	90.8
95.06038	2.7
95.08596	15.6
96.04487	23.8
96.05225	1.4
100.02482	4.9
101.00873	8.2
105.03362	6.0
105.04501	6.4
105.07010	1.4
106.02902	3.1
106.06542	1.3
108.05738	3.6
108.07617	1.7
110.00833	0.9
111.05540	1.1
112.03959	9.1
118.03535	4.3
119.01909	57.9
123.04430	68.4
123.05542	100.0
123.08052	13.7
123.09076	1.9
123.09966	2.0
123.11695	3.7
124.03941	48.3
124.07568	3.4
137.02943	27.5
139.05009	1.3
139.35567	0.9
140.03413	4.4
142.03491	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.53969	0.2
51.56778	0.2
53.00311	0.3
53.03937	0.7
55.01873	4.2
55.05513	1.2
57.07066	1.1
63.21574	0.2
65.03943	4.0
67.05506	15.9
69.07063	0.7
69.49007	0.2
70.62767	0.6
77.03938	0.5
79.05491	3.4
80.05020	1.3
81.03413	0.8
81.07055	17.8
91.05504	0.3
91.84734	0.2
93.07030	0.6
95.04967	8.0
95.08610	3.0
96.04487	0.8
105.03393	6.0
105.04497	0.6
119.01923	2.5
123.04428	100.0
123.11700	4.3
124.03944	1.1
124.04773	1.8
137.02977	0.8
142.03499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52224	0.2
53.00305	0.4
53.03935	0.9
54.11179	0.2
55.01872	4.1
55.05503	1.1
57.07071	0.9
65.03596	0.3
65.03941	3.9
67.05504	16.2
68.05846	0.3
69.07060	0.7
75.92992	0.2
77.03934	0.5
79.05486	3.0
80.05019	3.7
81.03416	1.0
81.07055	18.7
82.07374	0.3
86.64049	0.2
91.05489	0.2
93.07053	0.8
95.01332	0.4
95.04967	8.0
95.06079	0.3
95.08605	4.0
96.04481	1.3
101.00880	0.5
105.03391	6.1
105.04514	0.7
105.06998	0.3
111.05509	0.2
112.03973	0.3
119.01907	4.4
121.10099	0.3
122.01890	0.2
123.04430	100.0
123.05476	6.3
123.07971	1.2
123.09189	0.9
123.11697	4.8
124.03939	2.3
124.04776	1.9
124.07603	0.4
137.02956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02385	0.4
53.03951	1.3
55.56114	0.3
59.12577	0.4
65.03934	0.4
67.05504	1.9
67.41059	0.4
68.05035	1.1
78.03449	10.3
78.03896	0.6
79.05492	0.9
80.05013	44.6
81.04549	0.5
81.05334	0.7
81.07053	2.6
82.01444	1.4
82.99834	0.8
95.04976	1.4
95.06080	1.0
95.08621	0.9
96.04486	18.2
100.02482	7.2
101.00870	8.1
101.02602	0.4
105.04469	0.6
106.02911	18.8
107.03323	0.4
108.05695	0.5
112.03973	1.9
118.03513	4.6
119.01915	46.6
123.05544	100.0
123.08038	1.8
123.11707	0.5
124.03947	25.8
124.05848	2.5
124.07544	0.8
136.04546	0.9
137.02948	19.4
140.03378	0.8
142.03479	2.6
142.47086	0.4
144.24431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03951	1.3
55.56114	0.3
59.12577	0.4
65.03934	0.4
67.05504	1.9
67.41059	0.4
68.05035	1.1
78.03449	10.3
78.03896	0.6
79.05492	0.9
80.05013	44.6
81.04549	0.5
81.05334	0.7
81.07053	2.6
82.01444	1.4
82.99834	0.8
95.04976	1.4
95.06080	1.0
95.08621	0.9
96.04486	18.2
100.02482	7.2
101.00870	8.1
101.02602	0.4
105.04469	0.6
106.02911	18.8
107.03323	0.4
108.05695	0.5
112.03973	1.9
118.03513	4.6
119.01915	46.6
123.05544	100.0
123.08038	1.8
123.11707	0.5
124.03947	25.8
124.05848	2.5
124.07544	0.8
136.04546	0.9
137.02948	19.4
140.03378	0.8
142.03479	2.6
142.47086	0.4
144.24431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67145	0.4
51.02367	0.5
53.03947	2.9
55.01867	5.0
55.05512	5.9
57.03432	2.1
57.07059	0.5
65.03933	4.4
67.05500	32.1
68.05029	0.5
68.05824	0.4
71.77522	0.4
73.98450	0.4
77.03909	0.5
78.03461	1.1
79.05484	5.3
80.05011	14.3
80.06273	0.7
81.03417	2.5
81.07054	14.7
91.05468	2.0
93.07039	4.9
95.04965	12.3
95.06039	0.7
95.08598	14.2
96.04484	6.5
100.02465	0.7
100.11488	0.4
101.00837	2.3
103.05428	0.7
105.03382	6.1
105.04507	1.7
105.07015	2.9
106.02912	0.9
108.05701	1.4
108.07599	0.4
111.05553	0.9
112.03980	2.4
119.01913	17.4
119.02774	0.9
123.04417	100.0
123.05520	32.6
123.08028	7.0
123.09124	1.1
123.09974	0.5
123.11691	2.6
124.03933	12.1
124.04774	3.2
124.05842	0.8
124.07570	0.8
137.02933	8.5
140.03419	1.1
142.03488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03942	2.4
55.05508	5.5
56.72835	0.9
63.33231	0.8
65.03929	1.2
66.92286	1.0
67.05504	22.4
68.05013	1.2
69.03426	1.6
71.44158	0.9
78.03442	2.7
79.05485	3.7
80.05015	50.5
81.05379	0.9
81.07049	7.2
91.05487	1.6
93.07050	5.2
95.04979	5.7
95.06065	2.0
95.08602	12.9
96.04491	20.8
100.02476	2.1
101.00871	7.6
103.05467	1.1
105.07027	5.9
106.02923	2.9
107.04985	0.9
108.05733	4.5
111.05563	3.4
112.03947	7.5
118.03505	1.9
119.01914	60.7
121.50024	0.9
123.05549	100.0
123.08059	75.1
123.09087	3.8
123.09952	1.4
124.03944	43.5
124.05890	3.7
124.07584	1.9
124.08412	2.7
137.02948	31.3
138.23323	0.9
139.05066	1.8
140.03421	3.1
142.03500	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03928	2.3
54.57596	0.9
55.05304	0.7
55.05509	9.8
58.30648	0.8
65.03922	1.1
67.05502	48.7
68.05818	0.8
69.59608	3.7
74.31817	0.8
77.03957	1.3
79.05496	8.1
79.19232	0.8
80.02620	1.0
80.05007	2.0
80.06258	1.9
81.03414	4.9
81.07052	8.8
91.05476	3.2
93.07046	11.6
95.04980	4.3
95.08600	51.0
96.04463	1.0
96.08942	1.3
103.05486	1.2
105.07022	5.4
107.04951	8.8
108.05730	42.9
119.01932	2.0
123.04368	1.5
123.05632	4.2
123.08061	100.0
124.03944	3.2
124.08417	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03932	1.4
55.05508	10.5
65.03936	1.7
67.05498	43.3
79.05482	8.4
80.02617	1.3
80.06264	1.4
81.03410	5.1
81.07050	7.3
83.72187	0.8
91.05454	3.1
93.07031	11.3
95.04971	3.6
95.08597	44.7
103.05505	0.8
105.04499	1.2
105.07018	4.3
107.04939	9.5
108.05726	38.8
109.06048	1.3
123.08056	100.0
124.03961	0.9
124.08427	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	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03941	7.4
54.23363	0.7
55.01855	3.2
55.05256	1.2
55.05510	18.8
65.03943	6.8
67.05502	100.0
68.05026	1.3
68.05836	1.2
69.03419	1.3
69.47141	2.5
72.85888	0.7
75.41181	0.8
77.03925	1.8
78.03444	3.4
79.05486	18.6
80.05013	38.1
80.06264	1.3
81.03423	4.7
81.07053	22.7
82.99862	1.0
91.05476	7.3
93.07043	20.1
95.04966	13.6
95.06058	1.5
95.08604	44.9
95.92843	0.9
96.04488	20.0
96.08900	0.9
100.02461	1.6
101.00871	8.5
103.05457	3.5
105.04500	4.2
105.07021	7.1
106.02923	2.2
106.07365	1.9
108.05727	4.0
108.07690	2.2
111.05565	2.1
112.03967	10.1
118.03573	0.8
119.01917	48.6
123.04496	4.3
123.05547	85.9
123.08061	52.7
123.09095	2.7
123.09970	1.6
124.03948	49.4
124.05857	1.8
124.07586	1.9
124.08397	1.8
137.01906	1.2
137.02950	18.9
139.05003	0.9
140.03415	4.2
142.03500	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03942	7.2
55.01873	4.6
55.05262	1.7
55.05507	22.5
65.03939	6.8
67.05500	100.0
69.03420	1.1
70.61757	1.1
77.03927	2.7
78.03442	2.0
79.05479	16.3
80.05012	12.3
80.06261	1.5
81.03399	4.3
81.07051	15.9
91.05473	8.2
93.07035	19.3
95.04960	13.9
95.08602	44.0
95.88924	1.3
96.04465	5.5
96.08924	1.7
101.00881	1.4
103.05456	3.9
105.04491	4.0
105.07014	10.3
106.07332	1.2
107.04965	2.0
108.05727	6.1
108.07671	1.1
112.03996	1.8
119.01908	11.0
123.04541	1.7
123.05538	28.4
123.08057	62.3
124.03939	13.3
124.05962	1.0
124.08429	1.7
126.36068	0.9
137.02927	2.6
140.03389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03946	1.3
55.05511	5.1
65.03935	0.8
67.05503	14.4
69.23444	1.1
69.23846	3.9
74.94102	0.6
79.05480	5.6
79.41069	0.6
80.02615	0.8
80.05016	1.4
80.06279	1.0
81.03424	6.2
81.07053	13.0
91.05479	1.8
93.07034	5.5
95.04978	2.0
95.08604	13.6
98.22662	1.3
99.63865	0.6
105.07033	2.3
106.38297	0.7
106.68754	0.6
107.04956	13.1
108.05737	41.6
109.06071	0.8
109.20322	0.7
114.30077	0.7
123.08064	100.0
123.11688	2.5
124.03944	1.8
124.08414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03943	0.9
55.05512	5.4
57.03431	0.7
67.05502	15.3
71.37352	0.6
71.91622	0.4
76.71875	0.6
77.03932	0.5
79.05489	4.8
80.02628	2.0
80.05022	0.6
80.06266	1.0
81.03415	7.8
81.07060	2.3
83.75749	0.5
91.05460	2.5
93.07048	7.2
95.04960	2.9
95.08602	13.4
105.04539	0.6
105.07001	2.7
107.04958	11.2
108.05736	48.1
109.06094	1.0
113.33118	0.5
119.01939	0.5
119.25001	0.6
123.05574	1.6
123.08065	100.0
124.08403	3.4
141.17316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	2-Ethylphenol
Peak:m/z	Relative Intensity
53.03935	2.7
55.01848	1.2
55.05507	4.8
57.07055	2.2
65.03925	2.1
67.05504	16.9
68.05027	0.8
68.05825	0.7
69.07060	1.9
69.83733	2.4
74.77032	0.5
77.03908	1.4
78.03442	2.7
79.05489	10.8
80.02608	0.8
80.04543	1.4
80.05013	24.7
80.06267	1.1
81.03412	1.9
81.07050	57.0
82.07384	1.4
91.05473	0.8
93.07029	3.0
95.01316	1.2
95.04968	7.3
95.06109	0.8
95.08597	15.3
95.97807	0.6
96.04485	14.0
98.22747	1.2
98.70885	0.7
100.02461	1.2
101.00857	3.2
101.04653	0.6
105.04494	2.0
105.07006	1.8
106.02873	0.7
106.07412	0.7
107.04944	11.7
108.05730	45.9
108.07677	1.4
111.05554	1.8
112.03951	5.6
112.33124	0.6
119.01908	19.6
121.10106	0.9
123.04535	2.0
123.05551	48.8
123.08057	100.0
123.09967	2.8
123.11691	10.0
124.03944	32.5
124.04877	1.3
124.05846	1.6
124.07579	1.5
124.08425	2.3
137.02948	9.5
139.04988	0.9
140.03412	2.4
142.03513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03942	3.8
55.01851	1.2
55.05502	8.4
57.03416	1.1
57.07069	2.3
65.03921	2.6
66.04715	0.8
67.05498	39.5
68.05007	1.9
68.05820	0.8
69.03416	1.5
69.07050	2.4
70.40336	0.9
71.43805	1.0
73.11524	1.0
77.03915	1.5
78.03455	5.0
79.05481	16.6
80.05010	55.0
81.03403	3.4
81.05327	1.0
81.07049	54.7
91.05469	2.3
93.03370	1.3
93.07028	9.2
95.01278	1.7
95.04958	27.4
95.06006	1.9
95.08021	1.9
95.08597	27.1
96.04483	26.2
100.02462	1.5
101.00858	8.5
103.05459	1.0
104.05652	0.9
105.04501	3.0
105.07024	6.9
106.02911	3.3
106.06595	1.2
106.07356	4.0
107.04949	2.5
108.05727	30.5
108.06910	1.3
108.07658	5.2
111.05581	2.4
112.03971	11.4
118.03529	1.3
119.01910	50.4
123.04533	4.0
123.05542	96.0
123.08055	100.0
123.09910	5.4
123.11674	8.1
124.03938	62.7
124.05858	2.6
124.07567	2.5
124.08358	1.8
137.02946	22.2
139.05070	1.3
140.03415	6.4
142.03481	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
50.69049	0.5
53.03939	1.9
54.25560	0.4
55.01860	0.6
55.05512	3.4
57.07063	1.4
65.03938	2.0
65.12135	0.4
66.04732	0.5
67.05502	14.2
68.05035	0.7
69.07069	0.8
77.03917	0.6
78.03459	1.1
79.05492	9.4
80.02636	1.4
80.05015	16.0
80.06273	0.9
81.03406	1.7
81.07053	37.2
82.07402	0.7
90.01278	0.5
91.05489	1.1
93.07021	2.4
95.01353	0.7
95.04971	6.3
95.06123	0.6
95.08605	12.3
96.04489	7.3
96.08967	0.5
100.02492	1.0
101.00859	2.6
103.59887	0.5
105.04530	1.1
105.07040	1.3
106.02906	0.9
107.04942	10.3
108.05734	43.1
108.07680	1.2
111.05561	1.1
112.03973	3.1
119.01921	12.3
121.06494	0.6
123.04510	2.0
123.05558	26.0
123.08064	100.0
123.09982	2.3
123.11684	7.6
124.03945	23.4
124.07580	0.8
124.08358	3.3
137.02946	6.0
138.23930	0.5
139.04994	0.6
140.03444	1.8
140.24266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03931	3.3
55.01873	1.4
55.05511	17.5
65.03941	3.2
67.05502	75.4
68.05833	1.2
70.57491	1.2
78.03439	2.0
79.05504	8.0
80.05014	21.8
80.06255	2.1
81.03414	5.9
81.06574	1.0
81.07050	15.6
91.05473	4.3
93.07039	14.9
95.04964	40.9
95.08602	55.1
96.04482	9.5
96.05145	1.6
96.05241	1.4
96.08919	0.9
101.00854	1.4
105.04517	1.0
105.07009	2.5
106.02881	1.1
107.04931	2.3
108.05739	7.6
108.07687	0.9
111.05543	1.1
112.03976	4.6
119.01911	9.9
123.04498	3.2
123.05553	40.7
123.08060	100.0
123.09949	2.3
123.11681	1.8
124.03956	24.1
124.05886	1.5
124.08387	4.1
125.98071	1.0
137.02937	5.4
140.03430	1.7
142.03418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05510	4.6
57.07074	3.9
62.34611	0.4
64.13743	0.5
65.03944	1.3
67.05502	15.2
68.05037	0.5
68.05832	0.3
69.07061	2.4
78.03455	0.9
79.05489	16.6
80.05015	10.5
80.05788	0.5
81.07053	100.0
82.07390	2.8
91.05503	0.4
93.07050	1.9
94.07788	0.4
95.04952	2.2
95.06090	0.5
95.08025	0.9
95.08601	12.5
96.04494	6.6
100.02428	0.6
101.00879	1.1
102.81242	0.4
105.07022	0.9
106.02866	0.4
106.07374	0.7
108.05733	1.4
108.07657	0.7
108.09394	0.9
111.05496	0.5
112.03967	3.5
118.03532	0.5
119.01909	4.3
121.10133	0.9
123.04481	1.3
123.05547	20.0
123.08072	6.1
123.09105	0.8
123.10012	1.0
123.11700	17.1
124.03949	20.0
124.07582	0.7
124.12022	0.9
137.02943	2.2
140.03430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05500	4.7
57.07069	5.5
65.03945	0.7
65.41585	0.4
66.04726	0.4
67.05499	13.2
69.07056	2.7
71.44301	0.5
75.74340	0.4
78.03436	0.9
79.05485	16.7
79.05949	0.8
80.05011	8.8
80.05783	0.7
81.07048	100.0
82.07385	2.7
82.99863	0.4
91.05496	0.4
93.07044	2.2
94.07819	1.3
95.04958	1.2
95.08596	13.9
96.04489	4.9
96.08909	0.7
100.02444	0.5
101.00860	2.2
105.07016	0.7
108.09403	0.7
111.05553	0.5
112.03954	2.0
119.01907	12.4
121.10152	1.0
123.04539	0.9
123.05539	15.9
123.08057	2.6
123.09149	0.7
123.11692	23.4
124.03935	14.1
124.05888	0.7
124.07517	0.4
124.12048	0.7
137.02942	5.2
140.03375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05501	3.1
57.07074	3.6
65.03941	0.6
67.05499	10.0
69.07070	2.1
69.08870	3.6
79.05489	15.9
79.96791	0.5
80.05017	3.7
81.07053	100.0
82.07401	2.7
91.05538	0.5
93.07043	1.2
94.07807	0.8
95.04951	1.0
95.08602	9.7
96.04494	2.3
98.22762	1.0
101.00883	0.9
108.05727	0.8
108.09352	0.7
112.03976	1.2
113.99775	0.5
119.01897	4.2
121.10138	0.7
123.05548	5.6
123.08054	2.0
123.10012	0.8
123.11701	15.5
124.03954	7.6
124.12005	0.5
137.02983	1.4
142.03499	0.6
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
53.03948	1.4
55.05505	3.9
57.07067	4.0
61.09011	0.3
65.03928	0.9
67.05497	13.4
68.05807	0.3
69.07060	2.4
70.86037	0.4
79.05484	15.4
80.05015	3.0
80.05801	0.3
81.07047	100.0
82.07389	2.4
93.07033	1.9
94.07851	0.5
95.04958	1.5
95.08596	11.2
96.04490	1.4
101.00882	0.7
105.07016	0.5
108.05714	0.5
111.05521	0.3
112.03959	0.8
116.87682	0.3
119.01910	3.3
121.06439	0.3
121.10154	0.9
123.04559	0.6
123.05537	5.6
123.08051	4.2
123.11696	15.3
124.03932	6.2
124.11988	0.6
137.02948	1.3
140.03378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.08038	0.3
54.47266	0.3
55.05512	4.0
57.07074	3.5
57.83084	0.3
65.03935	1.0
66.16688	0.3
67.05499	12.6
68.05011	0.5
69.07056	2.3
69.27374	2.2
77.03901	0.3
78.03457	0.5
79.05488	17.1
80.05013	8.5
80.05802	0.7
81.07051	100.0
82.07377	2.9
93.07047	1.6
94.07817	0.7
95.04970	1.5
95.06063	0.3
95.08598	10.5
96.04483	4.1
96.08875	0.3
101.00867	1.2
101.25887	0.3
105.04493	0.3
105.06994	0.6
108.05709	0.9
108.09355	0.4
112.03944	1.7
119.01913	7.8
121.10124	0.9
123.05546	14.5
123.08057	2.7
123.09103	0.6
123.10017	0.6
123.11700	14.8
124.03945	15.7
124.12018	0.5
125.30721	0.4
137.02956	3.5
140.03397	1.0
140.30687	0.3
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
50.18459	0.6
51.32800	0.6
53.03944	2.2
55.05505	4.7
57.07072	5.2
61.24014	0.6
64.93331	0.7
65.03942	0.7
67.05502	11.7
68.05022	1.0
69.07064	2.9
69.70486	0.6
70.84398	1.2
78.03465	1.3
78.64954	0.6
79.05489	15.2
80.05015	23.8
81.07051	100.0
82.07378	2.2
93.07040	2.1
94.07826	1.2
95.04951	0.7
95.06098	2.5
95.08601	15.7
96.04490	12.7
100.02469	2.6
101.00870	5.2
106.02921	1.5
111.05564	1.6
112.03933	4.4
118.03522	1.4
119.01914	45.2
121.10133	1.1
123.05544	49.3
123.08065	2.3
123.09205	1.9
123.11697	24.0
124.03945	20.4
124.05882	1.5
124.07567	2.8
124.08698	1.1
124.12038	1.0
137.02950	25.1
139.04996	1.0
140.03419	1.7
142.03506	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52638	0.1
60.00635	0.1
61.33213	0.1
70.63850	0.2
78.25858	0.1
80.05000	0.2
81.05347	0.2
82.01456	0.3
82.99830	3.0
96.04493	0.3
100.02480	0.6
101.00872	28.7
102.00941	0.8
112.03944	0.1
118.03502	0.2
119.01910	100.0
120.01978	3.2
121.02353	0.4
124.02454	0.4
124.03916	0.9
124.05885	0.5
124.07590	0.2
133.03429	0.2
137.02945	25.8
138.03050	1.0
142.03487	3.8
142.04547	0.3
143.03603	0.2
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
54.59911	0.1
55.69445	0.1
58.99885	0.2
60.00632	0.2
63.16579	0.1
63.51686	0.2
72.78139	0.1
82.01447	0.2
82.99839	2.3
84.06988	0.2
89.84705	0.1
94.45898	0.1
100.02482	0.6
101.00875	30.2
101.02604	0.5
102.00916	0.7
102.34774	0.1
107.59082	0.2
116.07907	0.2
118.03473	0.2
119.01914	100.0
120.01990	3.3
121.02323	0.5
124.02458	0.5
124.03914	0.2
137.02950	25.8
138.03032	0.8
142.03493	4.1
143.03694	0.2
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
56.22404	0.1
57.31344	0.1
60.00652	0.2
68.30472	0.1
80.05028	0.3
81.05311	0.2
82.01443	0.3
82.99840	2.8
96.04466	0.2
100.02477	0.6
101.00876	31.6
102.00917	0.8
104.63488	0.2
112.03967	0.2
119.01914	100.0
120.01994	3.4
121.02362	0.3
124.02451	0.4
124.03946	2.0
124.05879	0.5
137.02948	24.2
138.03043	1.2
139.03360	0.2
139.94510	0.2
142.03485	3.4
143.03693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00640	0.2
62.79955	0.2
70.41940	0.1
70.42258	0.2
80.05016	0.1
82.01433	0.3
82.99836	2.7
100.02451	0.7
101.00881	30.9
102.00946	0.8
105.55658	0.1
111.00425	0.2
118.03542	0.3
119.01920	100.0
120.01995	3.6
121.02365	0.2
124.02473	0.3
124.03971	0.4
137.02956	24.8
138.03044	0.9
142.03496	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92363	0.2
69.04554	0.9
70.40981	0.4
78.03442	0.4
79.03806	0.3
79.05473	0.2
80.05019	1.8
81.04556	0.3
81.05349	0.6
82.01405	0.3
82.05330	1.5
82.99833	2.3
83.76591	0.2
85.17070	0.2
91.65891	0.2
96.04498	1.5
96.06883	0.3
97.02858	0.3
97.03993	0.6
97.04810	0.2
97.07668	0.2
100.02474	0.8
101.00879	24.3
101.02590	0.6
102.00989	0.7
102.02228	0.3
107.03263	0.6
109.04018	1.1
109.71297	0.2
110.04786	8.5
112.03960	0.4
118.03480	0.3
119.01918	100.0
120.02007	3.6
121.02367	0.3
124.02513	0.3
124.03950	6.6
124.05892	2.3
125.03506	0.5
125.04294	0.2
125.07114	4.5
137.02956	29.3
138.03058	1.2
139.03441	0.2
140.03442	0.2
142.03493	4.5
143.03523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.01603	3.8
51.02372	10.4
53.00307	2.4
53.03938	0.8
55.01871	11.3
55.05506	2.2
57.03434	1.1
57.60329	0.7
65.03931	0.9
68.15538	0.8
69.03435	2.6
69.07038	0.8
79.01854	15.5
79.05506	3.5
80.05023	2.9
80.43229	0.9
81.05346	1.1
81.07051	1.8
82.06588	1.6
83.04966	7.0
83.06075	1.0
91.05491	0.9
95.04984	1.5
97.02889	100.0
97.06525	1.5
98.03220	1.2
102.01019	1.8
107.01315	14.2
107.06068	2.3
107.08607	1.3
108.04445	4.4
118.76091	0.7
119.01893	2.1
120.02010	8.5
121.01657	2.5
125.02361	16.4
125.04306	6.4
125.06009	3.1
125.07123	4.2
125.07940	1.1
125.09615	3.1
125.10719	1.2
126.05511	4.1
138.03116	4.0
139.02724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0599
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
53.03732	1.1
53.03936	7.4
55.01872	9.7
55.05508	11.7
57.03435	1.4
63.54425	1.2
67.05490	9.4
69.03429	2.4
69.07063	20.8
69.35907	7.0
71.01334	2.0
77.03919	4.2
79.05487	63.1
80.05014	4.3
80.05800	2.0
81.03413	25.0
81.07037	3.1
81.17360	1.2
82.06576	1.6
83.04975	100.0
84.05315	2.0
95.04966	19.8
95.05537	2.2
96.05766	2.1
97.02899	5.2
97.06525	75.0
102.00953	1.7
105.04523	6.0
107.04961	11.2
107.06056	1.7
108.04482	9.9
110.03636	2.2
119.01904	3.1
120.01995	10.2
121.01690	5.1
125.04322	6.9
125.05992	26.5
125.07072	4.8
125.09665	2.5
125.10751	5.2
126.05521	4.7
126.92258	1.1
131.90446	1.2
138.03101	3.0
139.02687	1.2
141.05449	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0599
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
51.02379	3.3
53.03943	10.7
55.01875	18.8
55.05510	9.7
56.05031	2.1
56.96561	1.0
57.03431	1.7
65.03949	5.7
67.01872	1.2
67.05505	7.4
68.05027	1.6
68.99783	3.3
69.03419	5.5
69.04544	1.3
69.07066	16.2
69.38708	1.0
70.06607	2.6
71.01349	4.5
71.05035	1.1
71.42781	1.4
77.03923	5.3
79.01840	2.5
79.05492	100.0
80.05012	13.3
80.05820	3.5
81.03402	5.2
81.05341	2.8
81.07059	7.0
82.06574	3.5
83.01360	1.5
83.04980	24.1
83.06080	2.8
84.04482	1.5
84.08154	1.7
84.96051	1.3
85.02920	1.9
90.03418	2.2
90.94804	1.3
91.05473	3.7
95.04964	42.5
96.04504	1.5
96.05785	7.0
96.06876	3.0
97.02888	33.6
97.03874	1.4
97.04813	2.5
97.06529	57.3
97.07554	2.3
98.06044	3.2
98.99994	2.1
102.00945	2.5
105.04511	18.0
107.01310	3.1
107.04953	46.7
107.06030	7.9
107.08590	5.8
108.04482	31.7
108.05221	2.7
110.03651	17.7
111.02103	1.4
111.04433	2.7
113.04327	3.7
119.01909	4.6
120.01996	24.8
121.01643	9.5
125.02363	7.0
125.04346	19.6
125.05994	98.1
125.07082	11.1
125.09637	12.6
125.10716	4.4
126.01089	4.3
126.05518	24.9
126.06366	2.6
137.02950	1.2
138.03058	13.3
139.02715	5.0
141.03778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92983	1.1
53.03942	2.2
55.01868	4.3
55.05507	22.0
57.03431	2.0
57.07081	1.9
67.05495	3.5
69.03064	2.1
69.03429	32.9
69.07057	6.0
71.42271	1.2
79.05494	26.1
80.05013	3.2
81.05315	1.3
81.07047	10.9
82.06557	1.4
83.04984	20.3
83.06080	1.3
84.08154	1.2
84.96033	2.4
87.83745	1.2
91.05472	17.8
95.04993	2.6
95.08636	2.0
97.02930	1.7
97.04037	1.7
97.04790	1.1
97.06532	9.2
97.10174	2.9
97.55859	1.2
102.00942	3.0
103.00656	1.3
105.07036	8.1
107.06094	2.7
107.08588	38.6
108.04472	8.3
109.06516	3.9
110.07320	2.9
113.03561	1.5
119.01950	3.8
119.06059	3.0
120.01997	18.3
121.01638	7.6
125.04248	6.0
125.05141	1.4
125.05984	2.1
125.07152	5.7
125.09629	100.0
126.05504	10.6
126.10001	1.6
137.02931	1.8
138.03046	10.8
139.02684	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03916	1.3
55.01861	4.1
55.05511	21.7
57.03427	1.4
57.07063	2.4
65.03236	1.1
65.03940	1.4
67.05501	2.8
69.03425	28.0
69.07068	5.7
71.04975	1.0
71.32764	1.3
79.05492	21.4
80.01962	1.1
80.04986	1.6
81.07059	11.0
83.04974	18.1
83.08614	1.8
84.96026	1.2
91.05476	20.4
92.64704	0.9
95.04962	2.9
95.08602	1.2
97.06541	9.7
97.10155	4.1
99.68423	1.0
102.00967	1.0
105.07034	9.3
107.06077	1.1
107.08590	37.5
108.04469	3.6
109.06504	4.6
110.07300	2.7
119.06046	4.0
120.02013	5.7
121.01685	3.3
125.05050	7.5
125.05949	1.7
125.09628	100.0
126.05481	5.1
126.09973	2.7
138.03075	2.1
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	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
50.44675	1.4
53.03945	41.7
55.01657	1.6
55.01872	19.6
55.05508	2.7
57.03438	8.3
62.53089	1.3
67.01851	2.1
69.03426	78.7
71.01349	3.6
71.04996	20.2
71.41933	1.7
81.03415	100.0
81.07065	3.5
82.03744	1.9
82.06581	4.8
83.01341	11.9
84.02113	1.6
84.08132	3.8
85.02913	7.0
85.03350	1.5
97.02891	92.6
98.98480	1.9
99.04460	12.2
109.02875	48.1
109.04821	2.1
109.06513	2.4
110.03143	1.5
110.06081	2.4
127.01590	7.0
127.03909	51.4
127.04875	2.9
127.07312	2.1
128.07059	2.6
144.18559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03950	24.3
55.01876	12.8
57.03431	3.7
58.56581	1.4
62.86227	1.7
67.01859	4.2
69.01412	1.9
69.03431	18.6
70.06586	2.0
70.85374	4.0
71.05000	10.7
75.12161	1.7
80.29453	1.6
81.03416	45.0
81.04481	2.6
81.07037	2.5
82.06581	4.1
83.01339	3.2
84.08144	4.2
85.02924	2.1
86.06062	2.3
97.02895	100.0
98.03224	1.9
98.98466	5.8
99.04459	8.8
109.02873	20.7
109.04794	3.4
109.07605	2.0
127.01534	3.2
127.03914	33.3
127.05870	4.8
127.07321	4.0
128.07054	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02384	1.3
53.00298	3.6
53.03703	2.4
53.03942	35.1
54.04258	2.2
55.01869	16.1
55.05498	2.5
57.03425	4.9
67.01852	1.7
69.03426	68.7
70.03774	1.7
70.06594	1.9
71.04983	7.9
76.22343	1.2
79.05451	1.6
81.03413	100.0
81.07040	3.6
82.03751	2.5
82.06576	6.2
83.01342	10.1
83.04951	1.1
83.06013	1.3
84.08126	2.8
85.02895	5.7
86.06077	2.5
95.01324	9.8
97.02888	28.9
99.04443	10.7
100.07628	2.8
104.00961	1.6
109.02872	98.8
109.04801	2.9
110.03197	2.0
113.00015	2.2
116.79283	1.3
119.01933	3.7
121.01671	6.1
122.01963	6.9
127.01554	11.4
127.03910	52.1
127.05875	1.7
127.07378	2.5
127.08704	1.2
128.07079	3.1
139.02693	3.0
140.03072	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	127.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.4
53.00278	0.2
53.03944	4.5
55.01870	2.3
55.05511	1.1
56.05017	0.3
57.03411	0.6
58.06572	0.6
62.37566	0.2
65.03924	0.3
67.02979	0.5
67.99876	0.2
68.01380	1.6
68.02485	0.6
68.05018	0.3
69.03075	0.3
69.03424	6.2
70.06573	0.4
71.01333	0.4
71.04989	2.4
71.42087	0.3
72.08144	0.3
79.05508	0.3
80.05023	0.2
81.03412	15.5
81.05307	0.5
81.07044	0.8
82.02922	0.3
82.03752	0.4
82.06580	2.4
83.01350	0.6
83.04974	0.4
83.06064	0.3
84.04484	0.7
84.08138	7.7
85.02886	0.9
85.05148	5.2
85.07619	0.2
85.08451	0.4
86.00928	0.4
86.06034	0.6
95.02444	20.1
96.02782	0.3
97.02880	2.7
98.98450	0.4
99.04456	1.3
100.07612	0.6
103.00640	1.8
104.00945	1.2
104.01985	0.6
109.02869	16.5
109.04814	1.2
109.06470	0.3
109.07619	0.4
110.03241	0.4
110.06031	0.6
113.03482	100.0
114.03125	0.4
114.03832	1.4
115.03899	0.2
119.01911	2.3
121.01659	10.9
121.99432	1.2
122.01966	10.1
123.02102	0.7
127.01575	2.0
127.03915	24.9
127.04996	2.9
127.05869	0.8
127.07272	9.7
127.08699	0.4
127.12292	1.4
128.03384	0.5
128.04263	0.4
128.07083	1.5
128.07980	0.3
128.10712	0.4
137.02937	1.0
139.02679	6.1
140.00429	0.8
140.03018	5.4
141.03070	0.3
142.88562	0.2
144.03258	0.3
145.03622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03946	1.4
55.01875	0.6
55.05505	2.5
57.03432	100.0
58.03773	2.0
62.93131	0.6
67.05502	19.2
67.05861	1.1
69.03438	0.7
69.07055	3.7
69.40939	3.6
71.04987	2.2
71.58356	0.7
77.82699	0.6
81.03420	2.5
81.07053	6.1
81.08469	0.7
82.06573	2.1
83.08601	1.2
84.08150	0.8
85.05180	0.7
97.02911	1.3
100.07619	1.4
102.42254	0.8
107.08627	0.8
109.02866	1.3
109.04827	0.8
109.10148	32.1
110.10545	1.1
120.95502	0.7
127.01563	1.9
127.03905	3.8
127.11194	9.6
128.06242	1.3
128.07126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23278	0.2
56.05033	5.6
57.03426	0.4
69.03421	0.5
69.19341	0.3
69.19745	0.8
84.04498	100.0
84.08129	0.8
85.02898	6.1
85.04823	1.4
87.04457	0.2
95.01340	0.7
98.98849	0.2
102.05527	1.9
112.03965	0.3
120.01070	0.2
130.04993	9.8
131.05313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
55.05489	0.2
56.05033	6.6
57.03428	0.3
60.05647	0.8
61.60936	0.1
67.05504	0.2
69.03427	2.1
69.07050	0.2
70.06590	6.9
71.04994	1.1
72.08161	0.8
82.06567	0.6
84.04502	100.0
84.08136	71.0
85.02898	6.0
85.04810	1.4
85.07844	0.1
85.08007	0.2
85.08469	1.2
86.09725	0.2
86.68635	0.1
87.04467	0.2
95.01335	0.6
102.05541	1.6
102.77000	0.1
104.22662	0.1
112.03973	0.2
112.07595	3.7
112.08740	0.5
114.19656	0.1
121.10529	0.1
130.05000	9.0
130.08638	8.4
130.09668	0.4
130.12267	1.2
131.05249	0.2
131.08971	0.3
149.90071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05495	0.2
56.05031	3.9
57.14665	0.1
59.99825	0.1
60.05645	1.6
60.09763	0.1
65.29383	0.2
67.05492	0.4
69.03423	0.5
70.06589	14.5
70.60371	0.4
71.04988	3.1
71.06927	0.3
72.08139	0.3
81.88209	0.2
82.06595	0.2
84.04505	2.9
84.08139	100.0
85.06493	0.2
85.07943	0.2
85.08471	1.9
86.09703	1.1
88.07612	0.3
112.07616	1.0
112.08705	0.9
130.04916	0.2
130.08641	11.1
130.09702	1.0
130.12308	0.8
130.15903	1.0
131.08969	0.3
132.95807	0.2
137.20294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05028	1.8
57.07076	89.6
58.07409	1.5
66.45987	1.2
69.03425	7.2
69.07043	1.4
69.77095	2.1
69.77435	3.5
74.09718	56.5
84.04502	13.6
84.08144	20.3
88.79297	1.3
112.07600	18.2
123.59328	1.2
130.04984	1.5
130.06567	7.1
130.08598	6.1
130.15916	100.0
131.16278	3.0
131.49603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
57.03415	0.9
65.03918	1.3
69.12452	5.2
70.03733	1.0
72.08144	1.3
85.06406	1.1
85.08458	3.3
91.05478	100.0
92.05822	2.3
103.05456	7.3
104.00030	0.9
104.05753	0.8
113.07940	3.2
115.05427	8.4
116.06238	28.2
117.06626	1.3
128.06200	1.4
129.07002	13.9
131.04916	1.8
131.08562	94.3
132.08904	2.7
143.06032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.05511	10.9
55.14679	3.7
57.03434	64.9
57.07068	26.6
60.05645	12.5
67.05501	36.4
69.03413	4.1
69.07063	11.7
70.03748	11.2
70.70701	5.0
71.04987	36.7
72.04516	5.0
72.08147	26.0
83.21612	5.0
84.04488	6.8
84.08129	7.5
85.04832	16.3
85.06487	6.5
85.08479	29.5
86.09692	9.2
91.05464	43.9
93.07057	7.2
95.04958	13.3
95.08602	93.7
103.05457	100.0
104.05015	4.7
104.05733	4.5
105.04490	6.6
113.07922	32.2
113.09644	5.2
116.06216	8.7
117.05725	10.9
127.59156	4.2
129.06975	8.1
131.04874	23.9
131.06931	7.2
131.08510	39.8
132.04451	6.4
132.06580	5.7
132.08104	23.1
149.54167	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	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02382	0.8
53.03945	2.0
55.05492	0.3
56.05027	0.5
57.03450	1.0
58.02957	0.4
61.29419	0.2
69.03428	0.3
69.60029	0.8
72.93800	0.3
77.03925	3.4
79.05486	1.1
81.03413	0.3
84.04500	0.3
84.08153	0.2
86.06061	0.4
86.09702	2.3
87.04462	0.5
90.90384	0.2
91.05480	0.6
95.04967	11.8
96.04494	1.8
98.23489	0.2
103.05431	0.5
104.04988	69.7
105.03416	1.5
105.04514	4.1
105.05325	1.8
105.07023	4.6
117.05744	0.7
130.04034	0.3
132.04446	100.0
133.04826	2.8
133.06467	2.0
133.07533	0.5
133.10121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01593	0.3
50.56195	0.2
51.02388	0.9
53.03947	1.6
56.05038	0.4
57.03431	0.9
58.02957	0.2
60.05657	0.3
61.58347	0.2
62.56873	0.2
69.07068	0.6
69.08228	1.2
72.93787	0.4
77.03922	2.9
78.03439	0.3
79.05504	0.5
86.06073	0.3
86.09707	2.4
91.05475	0.3
95.04967	10.7
96.04501	2.1
96.05109	0.3
103.05405	0.3
104.04990	69.7
104.32230	0.2
105.03432	2.0
105.04520	5.1
105.05313	1.4
105.07035	2.6
111.13870	0.2
112.07584	0.2
115.05442	0.3
117.05788	0.7
122.06033	0.3
132.04448	100.0
133.04819	2.3
133.06476	0.6
133.07587	0.4
133.10135	0.3
134.11320	0.2
147.79030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
53.83528	0.6
55.05513	16.3
60.05648	13.8
69.07068	8.3
70.37630	1.1
72.08160	2.6
73.06557	18.8
86.06747	1.0
86.09703	100.0
87.10039	1.7
90.09189	8.3
96.10915	0.5
125.99648	0.5
132.10304	1.3
132.11319	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	132.1133
Annotation	4-Guanidino-1-butanol
Peak:m/z	Relative Intensity
52.57562	0.6
53.03947	2.4
55.03005	0.7
55.05508	90.9
56.05023	1.3
56.05840	1.1
58.06590	0.7
60.05644	73.7
61.05360	0.7
61.05991	0.7
69.07064	5.0
70.06577	3.1
71.32066	0.6
72.08146	12.5
72.93768	0.9
73.06551	100.0
73.08471	5.0
74.06873	1.5
75.98415	0.6
79.05490	0.7
84.04490	1.0
84.08118	0.8
85.05948	0.8
86.06197	0.8
86.06728	2.6
86.09699	91.5
87.10052	2.0
90.09189	44.6
97.07629	1.8
105.07021	1.9
110.25859	0.6
114.09165	2.1
114.10243	0.8
115.08685	2.0
115.10639	1.0
117.05769	1.3
132.06569	1.1
132.08153	3.3
132.11313	83.8
133.06528	1.2
133.07570	0.6
133.11668	1.7
133.85645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.18364	0.2
51.02361	0.3
53.03948	0.8
55.01869	1.0
61.22150	0.2
68.64556	0.2
69.66759	0.2
77.03924	2.5
79.05491	17.6
80.05821	0.5
80.34642	0.2
82.36118	0.2
91.05477	0.6
95.04969	4.4
103.04771	0.3
103.05466	10.1
105.04635	1.4
105.07027	100.0
106.07362	3.5
115.05457	0.7
118.04153	3.8
121.85451	0.2
133.06487	45.6
134.06868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	1.0
55.01860	1.0
62.24827	0.3
63.30518	0.3
68.30748	0.3
69.84415	0.8
70.02384	0.3
77.03928	2.3
79.05492	17.5
80.05833	0.5
82.79528	0.3
91.05476	0.6
95.04966	4.9
98.23152	0.8
103.05466	10.1
105.04566	2.2
105.07028	100.0
106.07355	2.5
115.05450	0.9
118.04145	2.7
133.06488	46.7
134.06850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03931	2.5
55.01878	4.6
58.27240	0.6
61.21747	0.6
63.58972	0.5
65.88651	0.7
69.68516	1.9
69.68903	1.4
77.03923	3.4
79.05492	28.9
80.05847	0.8
91.05455	1.6
95.04968	9.1
98.23520	0.7
103.04772	0.7
103.05467	15.7
105.04572	3.2
105.07025	100.0
106.07396	3.7
118.04156	1.9
133.06493	32.9
133.10173	0.8
134.06783	1.5
137.46690	0.7
146.24248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03915	0.3
55.05509	1.0
59.53347	0.3
65.03936	2.8
69.20867	1.1
69.21296	0.8
77.03905	0.4
78.04708	1.2
79.05491	2.7
91.05477	100.0
92.05807	2.7
93.07058	0.7
95.04961	0.5
103.05465	1.8
104.06245	16.1
105.07033	18.9
106.06540	0.3
106.07361	0.5
117.06980	0.7
131.08580	0.8
133.06705	0.4
133.07579	1.7
133.08556	0.4
133.10126	9.1
141.61328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03937	1.3
55.05508	4.3
57.15325	0.7
67.05479	0.9
77.03932	1.0
79.05486	11.1
81.69064	0.8
83.19475	0.9
83.34754	0.7
91.05476	32.1
93.07040	6.9
95.04964	3.6
103.05460	4.9
105.07022	100.0
106.07347	2.9
107.08561	0.9
115.05447	6.5
116.06244	1.7
117.07012	7.3
118.06076	1.7
118.07793	6.8
129.06979	0.9
131.08559	13.5
133.06473	4.1
133.07584	6.4
133.08458	2.5
133.10120	60.5
134.06020	0.9
134.10475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05512	4.5
64.05827	0.3
65.03944	0.9
67.05499	1.4
70.73289	0.6
70.84012	0.4
73.20744	0.3
77.03912	1.0
78.04711	3.4
78.41436	0.3
79.05491	7.8
80.05818	0.4
85.26597	0.3
91.05477	33.3
92.05780	0.5
92.06284	0.9
93.07043	7.8
95.04960	3.3
101.50387	0.3
103.05470	4.4
104.06250	0.4
105.03399	1.4
105.04558	1.8
105.07026	100.0
106.04149	0.9
106.06750	0.4
106.07353	2.6
107.08585	1.5
115.05441	6.7
116.06233	1.3
117.07012	7.0
118.07796	8.3
129.06984	1.2
131.08566	13.7
132.08882	0.4
133.06474	1.2
133.10123	62.5
134.03633	3.0
134.10475	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	0.8
55.05511	3.6
67.05501	0.9
72.85985	0.5
74.12817	0.5
77.03914	0.9
79.05482	9.9
80.90311	0.4
91.05472	29.8
92.05761	0.7
92.06284	0.7
93.07034	6.7
95.04961	3.5
103.05457	5.3
104.06245	0.8
105.04519	1.2
105.07020	100.0
106.06663	0.7
106.07317	2.9
107.08606	1.4
115.05457	5.3
116.06230	1.1
117.07013	8.1
118.06098	1.0
118.07803	8.0
129.07027	0.8
131.08557	13.4
133.06476	4.9
133.07584	3.1
133.08461	2.0
133.10115	55.3
134.05986	0.8
134.10454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05508	3.3
65.03934	0.9
69.47936	1.2
69.48346	1.5
77.03920	2.2
77.36115	0.5
79.05045	0.8
79.05489	12.4
91.05474	30.5
92.06281	0.7
93.07043	5.1
95.04959	3.2
100.88918	0.6
103.05466	6.1
105.04511	2.0
105.07022	100.0
106.06644	0.7
106.07348	2.9
107.08571	2.0
115.05449	10.6
116.06209	1.7
117.07011	11.3
118.07797	9.5
129.06964	0.9
131.08553	17.1
132.08899	0.6
133.06473	8.8
133.07573	3.5
133.10117	79.4
134.05984	0.9
134.10487	2.8
153.85287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	0.8
55.05507	4.2
57.73637	0.5
63.07453	0.4
64.55793	0.6
65.03934	1.0
67.05493	0.9
69.24857	2.3
77.03915	1.2
79.05485	11.3
90.04687	0.4
91.05472	30.4
92.05807	0.6
93.07037	6.9
93.75871	0.5
95.04950	2.8
98.23473	1.0
103.05466	5.7
105.07020	86.3
106.06537	1.9
106.07360	2.2
107.08564	2.3
115.05447	8.0
116.06210	1.9
117.07011	8.7
118.07790	10.8
129.06992	1.4
131.08554	11.6
133.06502	3.9
133.10115	100.0
134.06007	2.6
134.10466	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.36499	0.3
53.03945	1.1
55.05513	2.6
63.55358	0.3
65.03934	0.3
67.05502	0.8
77.03913	1.5
79.05488	12.9
79.05952	0.7
79.47835	0.3
87.49273	0.3
91.05474	21.1
92.05763	0.4
92.06291	0.4
93.07042	4.6
95.04956	3.8
103.05457	7.1
103.06109	0.5
105.04531	1.2
105.07022	100.0
106.07350	2.8
107.08574	1.0
108.25294	0.3
111.60585	0.3
115.05451	5.3
115.30891	0.3
115.84717	0.3
116.06213	1.1
117.07009	6.1
118.04134	1.2
118.07797	6.2
129.07057	0.5
131.08562	7.4
133.06491	19.2
133.07487	1.2
133.10117	64.5
134.10458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.56488	0.4
55.05510	3.5
64.82888	0.4
65.03938	0.8
66.70316	0.4
67.39928	0.5
69.03656	0.4
73.34284	0.4
77.03918	0.9
78.04686	0.4
79.05489	8.0
79.82366	0.4
80.74548	0.4
91.05479	24.3
92.05782	0.5
92.06284	0.5
93.07040	7.5
95.04962	2.6
103.04852	0.5
103.05472	5.3
105.07025	72.0
106.06725	0.4
106.07310	2.0
107.08587	1.3
111.19521	0.4
115.05451	8.6
116.06231	1.1
117.07010	9.2
118.06986	0.6
118.07803	9.1
119.08117	0.4
129.06992	0.9
131.08557	10.1
133.06494	1.5
133.10123	100.0
134.10443	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.67949	0.7
53.03945	1.8
55.05512	3.7
63.46511	0.8
65.03938	0.7
67.05491	1.2
67.13437	0.7
71.43974	0.8
76.45306	1.0
77.03899	1.1
79.05486	13.1
91.05473	36.2
92.05770	1.2
93.07039	8.2
95.04959	4.6
95.70615	0.8
97.75156	0.8
103.05479	7.4
105.04536	1.6
105.07023	100.0
106.07353	2.3
107.08588	1.4
115.05444	11.5
116.06260	1.5
117.07009	14.8
118.07793	17.7
129.07039	0.7
131.08559	17.9
133.06561	1.9
133.07603	5.0
133.10115	91.1
134.05986	1.5
134.10469	2.6
152.84341	0.8
154.34805	0.8
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.68042	0.7
55.05500	2.6
64.08076	0.7
67.05477	0.8
68.86615	0.7
69.38087	3.5
77.03902	1.2
79.05497	7.7
91.05478	24.1
93.07050	6.3
95.04981	2.3
98.22728	1.8
103.05497	4.0
105.07030	63.9
106.07373	1.4
107.08611	1.4
115.05451	8.5
116.06225	1.8
117.07011	11.2
118.07801	9.2
131.08565	8.9
133.10126	100.0
134.10478	3.2
143.38551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	2.3
65.03934	0.5
67.05495	0.9
68.48129	0.3
70.14642	0.4
71.43378	0.5
77.03905	1.5
79.05486	11.5
88.63262	0.4
91.05474	23.0
92.05756	0.4
93.07033	5.2
95.04955	3.3
99.92410	0.4
103.05462	6.2
105.04541	1.1
105.07021	77.8
106.07364	1.6
107.08572	1.6
115.05445	7.3
116.06221	1.4
117.07017	10.1
118.04139	1.0
118.07798	8.8
129.07019	0.6
131.08556	8.1
133.06503	10.3
133.10117	100.0
134.06033	0.5
134.10474	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
53.03944	0.8
55.05498	2.9
65.03942	1.1
65.13087	0.6
67.05486	1.4
79.05494	8.4
91.05476	26.5
92.05790	1.0
93.07043	5.3
94.94320	0.8
95.04971	3.7
98.22717	2.3
103.05456	5.4
105.04510	1.7
105.07024	77.8
106.07344	1.8
107.08614	1.7
115.05457	9.3
116.06223	1.8
117.07015	10.6
118.07798	12.3
120.54861	0.7
130.09427	0.7
131.08565	10.9
133.06479	3.5
133.07590	3.6
133.10118	100.0
134.06038	1.1
134.07079	0.9
134.10432	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	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03941	2.2
54.23623	0.6
55.01868	1.9
63.02372	4.8
77.03925	3.1
79.05488	19.5
89.03911	100.0
90.04254	2.1
91.05469	3.5
93.07047	0.8
95.01623	1.2
95.04965	9.8
98.23429	1.8
105.04517	4.2
105.06973	0.8
107.04946	20.3
107.06087	0.9
107.08596	1.6
115.05434	1.2
117.03373	32.0
117.06972	1.0
135.04408	56.5
135.08054	2.6
136.02145	10.6
136.04752	1.5
136.06190	2.5
136.07634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02367	0.8
53.03933	2.7
53.63574	0.7
54.50124	0.6
55.05501	0.9
57.89496	0.7
63.02376	4.1
65.03911	0.9
69.31001	4.8
70.72594	0.7
77.03920	3.3
79.05483	22.4
82.24026	0.7
84.66082	0.7
89.03906	100.0
90.04245	2.3
91.05477	10.0
93.07033	5.8
95.04961	11.3
98.22672	1.8
105.04510	5.1
105.07020	3.0
107.04937	19.2
107.08577	10.7
108.08938	0.8
109.01104	0.9
109.06485	1.6
115.05458	2.3
117.03368	36.0
117.07040	1.9
119.06049	1.0
119.08524	1.2
135.04404	67.2
135.08017	8.1
135.11664	2.0
136.02141	10.9
136.04814	1.0
136.06158	5.8
136.07080	1.0
145.03969	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02380	0.8
53.03939	2.5
55.01870	0.8
55.05506	0.9
63.02362	4.4
65.03929	0.8
67.05499	2.3
77.00606	0.8
77.03924	2.4
78.86942	0.7
79.05044	1.5
79.05488	25.0
81.07036	1.8
89.03912	100.0
90.04217	1.2
91.05473	13.8
93.07033	10.6
95.01664	0.9
95.04967	12.5
105.04523	4.2
105.07042	5.6
107.04952	18.6
107.06054	1.4
107.08599	12.7
109.01097	1.5
109.06517	1.4
115.05437	3.3
117.03370	33.1
117.07014	3.3
119.06053	1.3
124.00679	0.9
135.04408	56.5
135.05370	2.1
135.08043	8.1
135.11690	3.1
136.02156	20.1
136.04730	0.9
136.06187	5.0
145.03951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02385	1.1
53.03934	1.7
55.01865	1.2
55.05499	2.4
63.02372	5.6
65.03932	2.4
67.05495	1.4
70.93502	1.7
77.03917	2.1
79.05490	23.8
81.07056	1.1
89.03912	100.0
90.04253	1.8
91.05476	15.3
93.07040	9.2
94.41550	0.8
95.04964	13.4
105.04535	4.4
105.07020	3.9
107.04952	16.5
107.06073	1.5
107.08587	16.4
108.08089	1.0
109.01091	2.1
109.06505	2.6
115.05479	2.7
117.03374	34.1
117.06974	1.6
118.03773	1.0
119.06071	1.0
119.08540	1.5
120.32942	0.9
135.04414	58.4
135.05434	3.3
135.08052	11.9
135.09093	1.8
135.11694	3.5
136.02158	27.8
136.04817	1.7
136.06163	13.5
137.04517	1.0
145.03915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02382	1.3
51.44981	0.8
53.03938	1.5
54.66882	0.9
55.01867	6.4
60.47107	0.8
63.02374	4.5
65.03928	3.1
65.82841	0.8
67.05496	1.9
69.03405	2.1
70.79491	1.7
72.80405	0.9
77.03928	3.4
79.05489	37.0
89.03915	100.0
90.04253	2.5
90.98717	0.9
91.05479	29.6
92.06269	0.9
93.07016	4.8
95.04960	11.5
105.04528	5.6
105.07030	10.8
107.04951	22.4
107.08584	14.9
109.06511	5.0
115.05458	6.7
117.03373	35.9
117.04206	2.0
117.07024	6.7
118.01993	0.8
119.06064	2.7
135.04411	59.1
135.08040	14.4
136.02158	8.4
136.04768	1.2
136.06183	6.7
145.03941	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	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.02382	0.9
53.03952	1.3
55.01875	5.1
55.05497	1.7
65.03926	2.6
67.05504	2.4
69.03449	0.7
69.07066	0.7
77.03922	1.4
79.05492	23.3
80.05021	0.7
81.03433	0.8
81.07046	3.0
85.51353	0.6
89.03925	2.6
91.05480	32.8
92.06253	1.2
93.07043	12.8
95.04964	6.9
105.04510	2.1
105.07027	15.3
106.07352	0.6
107.04942	4.7
107.06091	0.8
107.08593	23.0
108.04488	0.6
108.08911	1.2
109.01124	3.6
109.06523	4.3
115.05457	11.4
117.03431	0.8
117.07004	8.1
119.03599	0.9
119.04940	12.9
119.06058	2.3
119.08562	1.6
120.05724	17.6
126.76004	0.6
133.06493	4.6
135.04420	4.1
135.05557	3.0
135.08054	100.0
135.11632	3.3
136.02162	42.8
136.03874	1.4
136.06175	11.5
136.07455	1.3
136.08406	3.0
137.04567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03933	1.3
55.01870	1.4
56.86114	0.6
59.58052	0.6
63.02372	1.6
65.03929	4.2
67.05492	1.7
69.00983	0.7
69.03429	1.2
77.03930	0.9
79.05488	22.8
80.05000	0.7
80.05811	1.0
89.03911	21.6
91.05473	100.0
92.05785	1.1
92.06281	0.9
93.07030	4.0
95.04958	5.6
100.83598	0.6
102.04695	1.0
105.04510	2.3
105.07021	24.5
107.04948	8.0
107.08585	48.2
108.08926	1.5
109.01076	0.9
109.06510	13.2
110.06821	0.8
115.05448	79.3
116.05600	0.8
116.06230	3.5
117.03369	7.4
117.07009	47.1
118.07345	1.4
119.06055	10.5
119.08508	0.9
120.05695	1.6
129.04521	0.8
132.70930	0.7
133.06497	2.2
135.04431	14.2
135.08043	84.9
136.02148	17.3
136.05280	0.7
136.06169	5.2
136.07419	0.9
136.08397	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	135.0805
Annotation	Chavicol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01875	4.6
55.05486	0.6
65.03936	2.5
67.05497	1.5
69.03420	1.3
69.73531	0.5
75.48965	0.5
77.03925	1.1
78.46899	0.5
79.05490	20.8
80.05013	0.7
81.03405	0.8
81.07056	2.4
89.03904	5.0
91.05478	27.3
92.06266	1.3
93.07032	7.8
94.04111	0.7
95.04962	5.9
95.37642	0.5
98.97604	0.5
105.04523	1.8
105.07030	12.3
107.04952	6.0
107.06074	1.1
107.08592	16.7
108.65015	0.5
109.01110	2.1
109.06519	3.3
115.05453	10.4
116.06242	0.6
117.03378	1.3
117.07008	7.3
119.04937	14.6
119.06041	2.5
119.08555	0.6
120.05721	21.1
133.06476	5.8
135.04402	4.0
135.05550	2.0
135.08049	100.0
135.11638	2.7
136.02162	32.0
136.03899	1.2
136.06180	6.2
136.07474	1.2
136.08427	3.3
137.04633	0.7
153.34726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
55.01863	3.9
65.03933	7.9
67.05495	3.5
69.03423	4.7
70.39684	4.5
70.95506	1.7
76.03931	1.8
79.05494	35.8
80.05014	1.9
91.05477	90.0
92.05788	2.3
93.07036	6.1
93.29313	2.0
94.02947	2.6
94.04031	2.3
95.04964	8.9
105.04464	3.0
105.07027	21.9
107.04956	7.8
107.08585	42.5
109.01108	6.5
109.06516	12.4
115.04645	3.1
115.05444	47.7
117.07019	28.2
119.03564	3.9
119.06059	8.6
120.05727	3.5
135.04433	4.3
135.05525	2.9
135.08052	100.0
136.02161	88.2
136.03819	3.9
136.06172	42.0
136.07475	4.1
136.08447	2.7
136.11243	2.3
137.04562	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02362	1.6
53.03941	3.9
55.01873	14.6
59.64293	1.1
63.02368	2.5
65.03945	8.1
67.05503	6.1
69.03416	5.4
70.04361	3.6
77.03917	4.7
79.05489	74.5
80.05815	1.2
81.07050	1.5
89.03918	25.0
91.05476	100.0
92.06273	2.7
93.07037	14.7
95.04356	1.4
95.04961	19.7
98.23351	1.3
100.43868	1.0
105.04533	6.2
105.07023	31.1
106.04115	1.2
106.07410	1.2
107.04951	26.0
107.08587	52.0
108.05274	1.2
108.08948	1.6
109.06516	14.9
115.05447	28.5
117.03357	10.3
117.07024	25.1
118.07360	1.3
119.06046	11.8
120.05709	2.2
120.60885	1.1
130.72243	1.1
135.03462	1.9
135.04424	23.6
135.05385	1.3
135.08049	62.7
136.02161	27.9
136.06168	5.5
136.07538	2.1
136.08470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03927	3.5
55.01863	6.0
55.05508	6.7
65.03950	6.8
67.05523	6.8
69.07065	2.1
73.64107	1.3
77.03903	1.5
79.05042	2.6
79.05491	42.4
80.05030	1.5
81.07032	2.9
85.28185	1.2
89.03914	1.3
91.05480	76.7
92.05768	2.1
92.06284	2.0
93.07044	45.0
94.02904	1.5
94.04057	2.6
94.06602	1.4
95.04976	12.6
98.22614	2.8
103.05466	1.6
105.04514	5.3
105.07026	33.9
107.04948	4.8
107.06073	2.2
107.08594	100.0
108.08917	3.6
109.01089	7.9
109.06515	16.3
115.05447	12.2
117.07008	12.7
119.03545	4.6
119.06069	10.3
119.08564	15.3
120.09337	4.4
133.06500	1.3
135.04486	2.4
135.05545	4.0
135.06555	1.8
135.08063	36.6
135.11687	23.5
136.02159	85.9
136.03871	3.3
136.05090	2.9
136.06172	55.5
136.07520	4.0
137.04605	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.67690	1.4
53.03951	1.8
55.01875	9.2
55.05513	9.9
60.47443	1.3
60.81171	1.3
65.03636	1.3
65.03938	6.7
67.05502	5.2
69.07070	3.6
70.14582	1.6
70.14915	3.2
77.03955	1.7
78.26454	1.3
79.05495	48.3
79.05954	2.9
79.77437	1.3
80.05028	1.9
80.05843	1.4
81.03413	2.2
81.07044	2.1
83.46452	1.3
87.04450	1.5
88.45017	1.3
88.54171	1.4
91.05479	83.8
92.05797	1.7
92.06292	1.8
93.07047	47.7
95.04963	12.4
105.04513	7.9
105.07034	32.3
107.04968	5.6
107.08595	100.0
108.08933	4.3
109.01103	5.7
109.06519	12.2
115.05460	13.8
117.07024	17.6
119.06078	10.1
119.08578	22.3
120.09369	4.7
135.08049	43.7
135.09084	2.9
135.11688	25.7
136.02165	58.8
136.05182	2.8
136.06203	20.9
136.07550	2.9
136.08499	2.7
137.04617	1.5
137.09628	1.7
137.17421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01867	0.7
55.05259	0.7
55.05507	9.2
57.07067	0.5
61.55043	0.4
62.86476	0.4
65.03934	2.1
67.05497	2.5
69.07062	2.8
71.03181	0.7
77.03913	2.2
79.05486	20.7
80.05850	0.8
81.07053	3.0
89.03903	1.9
91.05473	44.1
92.05799	1.5
93.07037	43.9
94.07356	1.1
94.07862	0.8
95.04952	8.8
95.08607	0.9
103.05450	1.0
104.06258	0.8
105.04494	3.8
105.07024	22.1
106.07266	0.6
106.07887	0.5
107.04935	1.3
107.08583	100.0
108.08913	2.7
109.01112	0.5
109.06508	7.7
117.03355	0.9
117.06980	1.9
119.03593	0.4
119.06068	6.2
119.08567	9.5
120.09358	3.4
133.10156	0.9
135.04366	1.4
135.05363	0.5
135.08054	1.3
135.11681	17.3
136.02144	10.2
136.06180	4.7
136.07217	0.5
136.07567	0.5
136.12045	0.7
137.04587	0.5
137.09576	0.5
147.09189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.32298	1.2
53.03944	2.2
55.01869	2.6
55.05507	2.8
65.03932	2.5
67.05489	1.9
67.63373	1.3
69.03420	1.7
69.55246	1.2
79.05484	17.5
80.05011	3.3
91.05472	33.3
93.07040	19.0
95.04961	6.2
98.22656	4.4
105.04538	3.2
105.07012	15.1
107.04940	3.2
107.08588	36.7
109.01096	8.5
109.06525	3.7
115.05481	3.7
117.07024	5.9
119.03532	3.5
119.06080	3.8
119.08577	7.3
120.09409	1.8
135.04471	2.2
135.05547	5.0
135.06607	3.2
135.08066	17.2
135.09123	2.4
135.11674	7.9
136.02155	100.0
136.03868	2.8
136.06178	45.6
136.07549	5.1
137.04556	3.7
140.98352	1.4
144.53726	1.5
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
53.01650	1.6
53.03947	4.0
53.79953	1.4
55.01873	4.9
55.05511	9.3
57.49568	1.4
59.54031	1.6
65.03932	6.7
67.05509	5.2
69.07066	3.5
69.39577	8.3
72.91149	1.6
77.03928	3.0
79.05492	41.5
80.05011	2.0
81.07064	2.7
91.05480	82.8
92.05781	1.8
93.07045	50.8
94.04050	1.8
94.06531	2.0
94.07349	1.7
95.04968	16.4
105.04517	4.9
105.07024	34.5
107.04955	5.6
107.08591	100.0
108.08939	3.1
109.01110	3.0
109.06493	10.3
115.05448	10.1
117.07019	12.4
119.03544	3.1
119.06065	9.7
119.08575	18.7
120.09344	6.4
135.04408	1.6
135.05603	1.9
135.08055	38.5
135.11697	25.6
136.02155	68.1
136.03831	3.3
136.05107	2.0
136.06180	34.7
136.07381	3.2
136.07553	3.1
136.11163	2.4
137.09618	1.5
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
53.03939	2.7
55.01861	7.3
55.05510	7.8
59.69373	1.5
65.03934	6.6
67.05493	4.1
69.07061	2.1
77.03915	4.3
79.05492	43.0
91.05477	83.8
92.05797	3.3
92.99615	1.6
93.07045	50.9
95.04972	13.1
98.23496	4.6
100.09399	1.6
105.04506	5.3
105.07028	34.5
107.04941	5.6
107.08592	100.0
108.08926	3.8
109.01094	3.2
109.06519	14.0
115.05447	10.1
117.07021	17.4
119.03563	2.6
119.06053	6.6
119.08579	21.6
120.09347	5.0
135.08057	39.5
135.09065	4.0
135.11688	27.6
136.02161	51.8
136.06160	17.1
136.07516	2.7
147.09152	2.0
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
53.03938	2.4
55.05507	10.4
55.45052	0.7
65.03926	2.5
67.05505	5.4
69.07079	4.3
69.12298	5.8
71.02509	0.8
74.67505	0.8
77.03918	2.5
78.90922	0.7
79.05489	29.5
81.07051	6.1
89.03912	5.1
91.05477	43.8
92.05762	1.0
92.06288	0.9
93.07041	66.3
94.07343	1.8
94.07855	1.1
95.04963	12.1
95.08586	1.0
103.05400	0.9
104.06239	0.8
105.04517	5.4
105.07027	14.8
107.04936	4.2
107.08588	100.0
108.08195	0.9
108.08934	2.8
109.01118	1.8
109.06519	6.6
115.05475	1.6
117.03374	1.9
117.07017	2.8
119.06033	4.3
119.08563	7.7
120.05746	1.0
120.09364	1.9
120.96495	0.8
120.98095	0.8
125.28288	0.7
131.38445	0.7
133.10153	1.0
135.04391	4.5
135.05403	1.3
135.08035	5.5
135.11682	19.8
136.02155	19.3
136.06161	8.3
136.07571	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02366	0.9
53.03936	3.7
55.05508	11.3
65.03924	2.5
67.05495	3.0
69.07059	4.4
69.14101	4.7
77.03920	3.3
77.45802	0.8
79.05485	25.3
81.07034	4.4
85.96169	0.7
89.03915	5.5
91.05470	44.7
92.05798	1.5
92.29440	0.7
93.07034	65.6
94.07339	1.6
94.07851	1.2
95.04957	13.0
103.05437	1.3
105.04498	5.6
105.07021	20.6
106.07325	1.3
107.04957	3.5
107.08583	100.0
108.08173	0.9
108.08913	3.5
109.01095	1.5
109.06503	8.6
115.05428	0.8
117.03361	1.4
117.07006	1.8
119.03553	0.8
119.06052	6.4
119.08568	7.8
120.09374	2.1
135.04424	4.4
135.08043	2.4
135.10768	0.7
135.11678	19.9
136.02138	20.5
136.03809	0.8
136.06165	11.4
136.07547	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02376	0.6
53.03939	1.6
55.05513	9.7
57.07076	0.9
64.43461	0.6
65.03936	1.7
67.05495	1.9
69.07070	3.2
69.87070	0.6
70.30536	1.5
72.97866	0.5
77.03915	2.8
79.05048	1.0
79.05492	20.1
80.05809	0.8
81.07034	3.2
89.03889	1.5
91.05479	40.2
92.05794	1.2
93.07041	42.4
94.07338	1.2
94.07865	0.9
95.04964	8.7
95.05548	0.9
95.08607	1.0
96.05377	0.5
103.05463	0.9
105.04506	3.9
105.06358	1.2
105.07029	18.4
106.07877	0.6
107.04918	1.3
107.08590	100.0
108.08927	3.8
109.06512	8.1
117.07029	1.7
119.06065	5.5
119.08580	8.0
120.09363	3.7
124.38898	0.6
129.61520	0.7
133.10118	0.8
135.04353	1.3
135.08072	1.0
135.11687	18.5
136.02151	7.7
136.06148	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05513	11.7
55.41109	0.8
65.03933	1.6
67.05515	2.4
69.07074	4.3
69.24155	4.0
77.03936	2.1
79.05491	25.0
81.07053	4.1
89.03928	2.5
91.05478	40.6
93.07043	52.3
94.07374	1.1
95.04977	9.1
101.30109	0.7
105.04519	3.3
105.07027	18.1
107.04943	1.8
107.08592	100.0
108.08923	4.1
109.01124	1.0
109.06516	8.1
112.42390	0.7
115.05511	1.1
117.07053	2.1
119.06050	4.4
119.08581	7.8
120.09385	2.1
133.10115	1.4
135.04439	1.4
135.08008	1.7
135.11687	15.0
136.02162	18.9
136.06206	3.7
136.07584	1.7
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
50.01593	1.1
51.09776	1.1
53.03929	4.0
53.04180	1.1
55.05505	11.9
65.03936	2.6
67.05500	23.3
69.07073	7.0
69.31740	4.9
69.32145	2.5
69.76730	1.1
77.03913	2.7
78.04694	1.1
79.05486	71.8
80.05818	1.4
81.07043	22.0
89.03912	6.0
91.05469	38.0
92.05782	1.4
93.07037	100.0
94.04091	1.5
94.07340	2.6
95.04970	16.1
104.62546	1.1
105.04521	7.1
105.07026	11.5
107.04922	6.3
107.08587	73.1
108.08898	2.8
109.01098	3.8
109.06504	3.8
115.05421	1.9
119.03555	1.7
119.06029	3.2
119.08588	2.7
135.04422	4.3
135.05475	2.5
135.08096	13.4
135.09085	2.2
135.11684	52.7
136.02153	50.4
136.03818	1.8
136.06161	26.1
136.07381	2.3
136.07544	2.2
136.11165	1.8
136.12086	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67690	1.4
53.03951	1.8
55.01875	9.2
55.05513	9.9
60.47443	1.3
60.81171	1.3
65.03636	1.3
65.03938	6.7
67.05502	5.2
69.07070	3.6
70.14582	1.6
70.14915	3.2
77.03955	1.7
78.26454	1.3
79.05495	48.3
79.05954	2.9
79.77437	1.3
80.05028	1.9
80.05843	1.4
81.03413	2.2
81.07044	2.1
83.46452	1.3
87.04450	1.5
88.45017	1.3
88.54171	1.4
91.05479	83.8
92.05797	1.7
92.06292	1.8
93.07047	47.7
95.04963	12.4
105.04513	7.9
105.07034	32.3
107.04968	5.6
107.08595	100.0
108.08933	4.3
109.01103	5.7
109.06519	12.2
115.05460	13.8
117.07024	17.6
119.06078	10.1
119.08578	22.3
120.09369	4.7
135.08049	43.7
135.09084	2.9
135.11688	25.7
136.02165	58.8
136.05182	2.8
136.06203	20.9
136.07550	2.9
136.08499	2.7
137.04617	1.5
137.09628	1.7
137.17421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.27450	1.3
53.03934	7.6
55.05505	36.1
55.41147	1.3
57.07067	1.7
63.55560	1.1
65.03933	3.9
66.01820	1.1
66.58954	1.0
67.05492	8.3
69.06711	1.6
69.07061	21.4
77.03910	3.6
79.05487	66.2
80.05028	2.0
80.05840	1.2
81.07052	11.6
91.05473	65.0
91.26460	1.1
92.05774	1.6
93.07036	100.0
94.04047	1.6
94.06567	1.2
94.07301	2.8
94.07861	5.9
95.04962	24.0
95.08595	1.3
105.04514	12.5
105.07020	21.0
107.04946	2.0
107.06101	2.2
107.08583	95.0
108.08907	3.2
109.01102	4.2
109.06551	7.9
114.04775	1.2
117.07016	1.5
119.03545	4.1
119.06042	5.2
119.08566	4.7
120.09396	1.8
133.10089	1.8
135.04501	1.2
135.05522	3.4
135.08047	4.5
135.11676	21.4
136.02151	70.5
136.05116	2.8
136.06171	52.9
136.07571	2.3
136.11240	1.3
137.04613	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02387	1.1
53.03940	3.7
55.01860	3.0
55.05506	13.6
57.07070	0.9
65.03934	3.7
67.05499	13.3
69.03406	0.9
69.07068	6.4
69.40246	1.4
69.40656	3.3
77.03931	3.4
79.05488	64.3
80.05029	2.0
80.05807	2.0
81.03443	0.9
81.07050	13.5
89.03913	9.2
91.05473	58.4
92.05776	1.1
92.06284	0.9
93.07039	100.0
94.04057	1.0
94.07346	2.0
94.07871	0.8
95.04961	17.3
103.05431	1.3
105.04505	6.3
105.06345	1.4
105.07024	19.5
107.04945	10.4
107.08587	93.1
108.08170	1.6
108.08923	3.9
109.01106	6.0
109.04984	0.7
109.06506	6.5
111.38088	0.7
115.05437	5.0
117.03395	4.3
117.06998	4.8
119.03543	2.2
119.04903	0.8
119.05208	0.9
119.06023	6.1
119.08561	8.8
120.09357	1.6
130.59145	0.8
133.10094	1.0
135.04398	7.3
135.05504	2.4
135.08057	18.3
135.10641	1.4
135.11679	33.3
136.02155	64.8
136.03851	1.9
136.05113	1.6
136.06174	27.4
136.07521	3.7
136.12044	1.2
137.04567	1.6
148.03491	0.7
152.28159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03936	3.7
55.05508	11.3
65.03924	2.5
67.05495	3.0
69.07059	4.4
69.14101	4.7
77.03920	3.3
77.45802	0.8
79.05485	25.3
81.07034	4.4
85.96169	0.7
89.03915	5.5
91.05470	44.7
92.05798	1.5
92.29440	0.7
93.07034	65.6
94.07339	1.6
94.07851	1.2
95.04957	13.0
103.05437	1.3
105.04498	5.6
105.07021	20.6
106.07325	1.3
107.04957	3.5
107.08583	100.0
108.08173	0.9
108.08913	3.5
109.01095	1.5
109.06503	8.6
115.05428	0.8
117.03361	1.4
117.07006	1.8
119.03553	0.8
119.06052	6.4
119.08568	7.8
120.09374	2.1
135.04424	4.4
135.08043	2.4
135.10768	0.7
135.11678	19.9
136.02138	20.5
136.03809	0.8
136.06165	11.4
136.07547	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.72757	0.2
67.02968	0.5
70.92805	0.3
72.96611	0.2
75.98534	0.2
79.05480	0.6
80.36751	0.2
81.07040	0.5
91.05450	0.4
92.02482	1.0
94.04048	4.4
94.06532	0.4
95.04932	0.2
99.83437	0.2
109.05107	0.8
109.06522	0.4
112.05103	0.4
119.03541	12.7
120.03936	0.3
136.02190	1.9
136.06174	100.0
137.04585	6.3
137.07072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73542	0.2
52.39490	0.2
59.25324	0.2
67.02985	0.4
69.77901	0.6
76.96919	0.2
82.04057	0.2
84.04494	0.2
91.04938	0.3
91.05481	3.3
92.02483	0.6
94.04050	4.0
94.06564	0.7
96.04470	0.3
109.01074	0.3
109.05104	0.8
110.03533	0.2
112.05094	0.2
118.06548	0.2
119.03551	12.3
119.04805	1.0
131.01927	0.8
136.02176	3.2
136.06180	100.0
137.04584	7.8
137.06351	0.6
137.07155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
59.73172	0.4
65.03931	1.0
67.02969	0.5
67.05501	0.8
69.03425	0.7
77.03917	0.4
79.05486	1.3
80.05017	1.4
80.05840	0.5
81.03391	0.5
81.07045	0.9
90.04250	0.6
90.85563	0.4
91.05472	3.5
92.02440	0.6
92.05821	0.4
93.05743	0.6
93.07010	0.4
94.02913	0.5
94.04042	4.1
94.06569	0.9
95.04954	1.7
96.04459	0.4
105.04511	0.8
108.04501	0.6
108.05251	0.6
108.08130	1.9
109.01098	6.5
109.05094	0.7
109.06497	0.7
109.07590	0.6
118.03803	0.3
118.06554	1.2
119.03543	10.8
119.04888	0.6
121.08877	0.4
122.03602	0.5
136.02156	72.2
136.06174	100.0
136.07474	3.5
136.11191	1.6
136.87822	0.3
137.02495	3.0
137.03514	0.8
137.04576	6.1
137.05949	1.6
154.04967	0.6
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
50.98691	0.2
53.03942	0.3
58.30575	0.2
65.03943	0.5
67.02975	0.4
67.05508	0.4
69.03403	0.3
69.48976	1.0
70.09089	0.2
79.05486	1.2
80.05010	0.6
80.05816	0.5
81.03431	0.2
81.07054	1.4
82.04050	0.2
86.85140	0.2
88.55414	0.2
88.56059	0.2
91.05475	1.8
92.02480	0.4
92.04993	0.5
92.42960	0.2
92.90790	0.2
93.05804	0.3
94.02932	0.2
94.04060	3.9
94.06554	2.7
95.04955	0.6
96.04491	0.5
98.22751	0.4
105.04465	0.2
107.04901	0.2
108.04459	0.5
108.08107	0.5
109.01107	1.9
109.05107	0.7
109.06503	1.3
110.03517	0.3
110.06038	0.8
112.05097	0.4
113.00881	0.4
118.06622	0.2
119.03543	11.5
119.04934	0.7
120.03165	0.2
121.08893	0.3
122.03639	0.6
131.01895	2.4
136.02158	19.3
136.06175	100.0
137.02396	1.3
137.04576	10.1
137.05960	1.6
137.07129	7.5
139.05945	0.2
146.14754	0.2
149.02890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.08727	1.3
52.37188	1.0
53.03947	10.5
53.25113	1.2
53.26802	1.1
54.10996	1.0
55.01874	6.8
55.05488	1.2
56.10061	1.1
57.68290	1.1
61.12050	1.1
65.03940	10.1
66.04702	2.9
67.05498	7.8
68.99736	1.5
69.03421	6.8
70.61420	1.7
77.03915	1.8
79.05489	74.8
80.05814	1.9
81.03412	7.1
81.07053	100.0
82.07384	2.4
87.07638	1.2
91.04945	1.8
91.05476	25.3
92.04946	1.4
92.05793	1.6
94.04186	7.9
94.06554	4.2
95.01326	1.7
95.04963	12.3
105.04486	1.8
107.04935	5.4
107.98287	1.3
108.05706	2.7
109.02907	1.6
109.06516	90.1
110.06075	1.2
110.06831	2.4
119.04924	3.5
120.03870	1.4
120.72651	1.3
137.05936	41.6
137.07005	2.3
138.05476	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.6
53.03940	0.5
55.01860	0.7
65.03945	2.2
66.04725	6.6
67.05508	2.1
69.03439	0.5
69.77508	1.3
74.26917	0.6
79.05487	4.4
81.07061	2.9
91.05476	5.4
93.07015	0.5
94.04183	52.9
94.06577	0.9
95.04452	0.8
95.05016	2.5
95.06114	0.5
95.08639	0.7
105.03403	0.9
105.04522	1.1
107.04959	2.1
109.06539	1.2
109.07616	0.9
122.03645	67.4
123.03982	1.6
135.04478	0.7
137.02565	3.1
137.05972	100.0
137.09607	2.3
138.01772	0.6
138.05400	2.5
138.06424	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	1.3
51.83344	1.0
53.03944	12.2
55.01864	7.0
55.05532	1.5
65.03935	7.9
66.04704	1.5
67.05499	9.4
69.03419	7.4
70.67127	1.9
77.03935	1.8
77.91563	1.0
79.05486	83.1
80.05839	1.8
81.03416	11.5
81.07050	100.0
82.07378	1.8
91.05472	25.4
92.05001	4.4
94.04180	11.4
94.06564	12.8
95.01311	1.7
95.04394	1.6
95.04951	13.8
96.04507	1.6
105.04523	1.4
107.04964	5.0
108.05743	2.3
109.06509	87.7
110.06036	7.8
110.06780	2.4
119.04951	4.1
119.06077	2.0
120.03894	3.6
122.03648	1.2
137.02414	2.8
137.05995	37.9
138.05498	45.5
151.31630	1.3
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
51.02391	0.7
53.03943	0.6
65.03918	1.7
66.04727	7.9
69.80092	1.5
69.80481	1.1
77.03912	2.0
79.05495	4.5
81.07031	1.5
81.80226	0.6
91.05462	3.3
94.04182	48.7
95.04971	1.3
105.04524	0.7
107.04951	1.8
109.06496	0.6
122.03641	66.6
123.03963	1.6
135.04430	0.9
137.05968	100.0
138.06253	3.3
143.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03932	3.8
53.92965	1.2
55.01878	3.2
55.05512	12.7
57.07063	1.8
57.28957	1.2
64.27769	1.4
65.03935	5.9
66.04707	3.2
67.05503	100.0
67.65852	1.2
69.03407	2.4
69.07062	5.8
69.69325	2.4
69.69720	2.6
71.73949	1.1
79.05492	16.9
81.03410	1.6
81.07053	53.4
83.91393	1.2
91.05479	27.7
92.04990	1.8
92.05817	1.5
93.07047	10.3
94.04192	21.1
94.06553	6.4
95.04967	47.8
95.05975	1.7
95.08607	36.5
96.04452	1.4
98.23454	2.8
105.07086	1.5
106.04954	1.3
107.04967	1.9
107.08598	10.6
109.06524	11.8
109.10153	47.9
110.06027	4.9
117.07056	2.3
119.04939	2.7
119.06046	1.7
119.08567	7.1
120.04528	1.4
122.03643	28.1
122.07276	5.7
137.02457	16.0
137.05971	55.2
137.06990	2.8
137.09610	57.7
138.01718	2.4
138.02959	1.4
138.05481	33.0
138.06448	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02399	1.8
53.03926	2.8
55.01853	1.7
55.05486	6.6
61.57710	1.6
65.03922	7.4
65.38049	1.6
66.04707	5.9
67.05501	77.4
68.05801	1.9
69.07046	6.4
75.04400	1.7
79.05491	17.7
80.04974	2.0
80.66975	1.5
81.03423	3.3
81.07056	43.0
82.07349	1.7
91.05478	43.3
92.04989	7.2
93.07048	18.7
94.03573	2.7
94.04182	47.7
94.06095	1.8
94.06564	23.1
95.04983	12.0
95.08604	62.0
96.04491	4.2
105.04478	2.1
107.04945	3.8
107.08595	8.0
109.06509	13.1
109.07647	2.7
109.10152	55.5
110.06021	18.2
116.70441	1.7
117.06974	6.8
119.04931	4.5
119.08578	23.9
121.06485	6.5
122.03645	58.7
122.07289	18.0
137.02499	16.0
137.05948	91.9
137.07018	6.6
137.09605	55.4
137.10632	2.5
138.01704	3.6
138.05493	100.0
138.09959	2.5
151.06096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03941	2.7
55.01865	4.1
55.05507	14.7
55.82956	1.0
57.03439	3.1
57.07071	2.9
59.05009	1.6
65.03930	4.2
66.04702	2.0
67.05502	100.0
68.05855	1.5
69.03418	3.0
69.07067	14.9
70.42787	2.3
79.05490	20.6
81.03427	6.8
81.07054	43.8
81.08877	1.2
81.87199	1.3
91.05476	44.6
92.04977	1.8
92.05810	1.4
93.07043	22.2
94.04179	8.2
94.06557	9.9
95.04346	1.3
95.04967	43.3
95.08604	74.7
96.08929	1.7
103.05468	1.6
105.04491	2.9
105.07035	3.6
107.04948	2.4
107.08597	24.2
109.06517	14.4
109.07651	1.4
109.10157	41.0
110.06061	7.8
110.06699	1.4
114.95442	1.1
117.07017	5.4
119.06092	1.6
119.08575	20.7
120.04418	1.0
121.08620	1.0
122.03651	11.9
122.07275	3.3
123.30550	1.2
137.02475	11.8
137.05974	20.0
137.07079	4.6
137.09613	60.0
137.13225	1.8
138.01781	2.9
138.05498	40.4
154.05103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	2.3
55.05512	2.8
55.92211	0.7
57.07067	1.5
65.03941	2.0
67.05499	31.7
69.03434	1.8
69.07069	2.7
69.84907	2.0
77.03922	1.4
79.05485	6.6
81.07050	22.9
82.07410	0.9
88.74979	0.7
91.05476	17.4
92.05022	0.9
93.07047	4.5
94.04173	7.9
94.06557	1.8
94.07864	1.2
95.04973	5.0
95.08596	26.2
103.05476	2.1
104.06240	0.9
105.04494	1.1
107.04939	26.0
107.08614	2.6
108.05247	0.7
109.06515	1.6
109.10148	34.9
110.06017	2.5
110.10507	1.1
117.07005	2.4
119.06028	0.9
119.08578	15.8
120.08894	1.1
121.06509	9.8
122.03651	12.3
122.07276	100.0
123.07610	2.5
135.08028	3.5
137.02490	4.5
137.05966	17.7
137.09601	93.8
137.13162	1.6
138.01738	1.2
138.05461	10.7
138.09995	2.4
156.70868	0.9
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	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03954	1.9
53.27837	0.8
55.01888	1.7
55.05509	13.0
57.03442	1.1
65.03944	5.0
67.05502	100.0
68.05843	1.9
69.03429	16.1
69.03802	1.0
69.07069	4.2
69.56767	3.2
71.01378	0.8
71.44437	0.7
73.99619	0.8
79.05494	9.0
81.03400	1.4
81.07055	28.4
91.05476	12.9
93.07040	7.9
94.04192	1.5
95.04966	15.6
95.08601	24.2
96.04494	0.8
96.05776	0.9
98.23402	1.0
105.04520	1.8
105.07042	1.5
107.04961	1.7
107.08588	6.7
109.06515	13.1
109.10153	44.9
110.10468	0.9
114.15842	0.7
117.07047	1.3
119.08584	6.1
122.07274	2.8
127.07539	1.1
136.10742	0.8
137.02460	2.8
137.05978	3.2
137.06969	0.9
137.09607	34.4
138.05484	4.0
138.09937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02363	0.3
53.03950	0.8
55.01866	0.6
55.05507	3.6
57.07068	1.3
65.03938	1.9
66.04712	1.3
67.05500	35.9
68.05829	0.6
69.03417	0.6
69.07064	2.0
78.38596	0.2
79.05488	13.8
80.05011	0.3
80.05828	0.4
80.06274	0.3
81.03426	0.5
81.07050	100.0
82.07384	2.0
91.05472	7.9
92.05048	0.2
92.05802	0.4
93.07044	5.0
94.04186	6.2
94.06565	0.5
95.04971	2.9
95.08600	23.9
96.04497	0.6
96.08927	0.7
103.05481	0.3
105.04510	0.4
105.07026	0.6
107.04945	0.9
107.08588	4.8
108.05784	0.2
109.06512	39.2
109.10147	27.1
110.06022	0.6
110.06864	0.9
110.10493	0.6
117.06992	0.9
119.04960	0.3
119.06041	0.6
119.08572	4.5
121.06517	0.4
122.03641	9.0
122.07293	2.3
125.92817	0.2
137.02484	3.2
137.05968	13.0
137.07053	1.0
137.09604	25.2
137.13199	1.6
138.01718	0.7
138.05469	3.5
138.06335	0.4
138.09973	0.7
148.59489	0.2
158.66057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41663	1.1
53.03946	7.0
53.25265	1.1
55.01870	7.5
55.05266	1.4
55.05511	19.5
57.03434	2.7
64.09473	1.0
65.03930	4.4
67.05500	100.0
68.05864	1.6
69.03426	35.0
69.07066	8.5
69.85444	2.5
74.62827	1.0
79.05490	14.7
81.03404	9.5
81.07053	22.9
83.04955	2.1
91.05471	28.4
93.07040	18.8
94.04166	2.8
95.04961	29.7
95.05533	2.1
95.08600	25.6
105.04515	2.0
107.04964	1.3
107.08604	6.3
109.06511	11.9
109.10154	27.0
117.07052	2.5
119.08595	9.8
122.03680	3.1
122.07260	1.3
137.02463	3.3
137.05959	5.8
137.06990	1.7
137.09612	35.0
137.10612	1.6
138.05551	1.5
158.98975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.78988	0.4
53.03942	4.6
55.01868	5.8
55.05510	17.0
55.05780	0.9
56.05853	0.5
57.03439	3.5
59.04996	0.5
63.23161	0.4
65.03935	5.0
66.04734	0.7
67.05501	100.0
68.05835	1.9
69.03426	32.6
69.07064	7.2
69.65546	1.6
71.04990	3.3
74.86446	0.6
77.03926	1.2
79.05488	14.8
79.05953	0.9
79.08495	0.4
79.08952	0.5
80.05872	0.5
81.03412	8.9
81.07054	23.4
83.04986	2.0
91.05477	31.1
92.05807	1.1
93.07040	24.7
94.04197	1.5
94.06515	0.5
95.04964	32.3
95.08600	36.5
96.04541	0.5
96.05773	0.9
96.08962	1.2
97.57679	0.4
98.22772	0.7
105.04520	1.7
105.07010	0.9
107.04959	0.5
107.08591	5.5
109.06515	13.2
109.10148	30.7
110.06101	0.4
110.06845	0.5
110.10518	0.9
117.07014	1.9
119.06063	0.7
119.08574	13.4
122.03662	1.7
122.07262	1.3
123.59859	0.5
137.02444	2.1
137.06003	3.9
137.09607	63.7
138.05502	1.8
138.09979	1.4
150.96884	0.6
152.44923	0.5
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
53.03941	0.6
65.03934	1.3
67.05504	1.0
69.32473	0.4
69.32872	0.2
73.92465	0.1
78.03455	0.9
86.98246	0.1
92.05000	6.8
93.05785	0.9
94.06561	18.8
95.06898	0.6
96.04491	2.8
107.52370	0.1
110.06033	11.5
111.06387	0.3
136.03941	0.3
138.05490	100.0
139.04901	0.2
139.05852	2.3
142.62845	0.1
154.05003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36969	0.2
53.03939	0.5
55.25222	0.2
56.67008	0.2
65.03941	1.2
67.05499	1.2
69.78730	0.7
78.03456	0.8
92.05003	8.0
93.05807	0.9
94.06563	20.7
95.05000	0.2
95.06898	0.3
96.04488	2.8
110.06037	12.6
118.78172	0.2
136.03957	0.3
138.05493	100.0
139.05830	2.1
154.04984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	2-Hydroxyphenethyl alcohol
Peak:m/z	Relative Intensity
50.22793	0.6
51.02380	1.6
53.03944	6.9
53.83110	0.7
55.01873	5.1
55.05516	5.9
56.96560	8.2
57.36273	0.8
65.03938	1.4
67.05508	9.6
69.03416	2.0
69.07054	1.9
70.81361	1.5
77.03925	9.3
78.04701	1.0
79.05497	7.8
81.03405	3.8
81.04518	1.0
81.07054	19.4
81.07508	1.5
81.40141	0.7
83.04966	1.4
83.08604	0.9
91.05478	61.8
92.05840	1.2
93.07043	100.0
94.07373	2.2
95.04968	36.1
95.08590	5.4
96.04488	0.8
97.02886	1.0
97.04229	1.0
97.04790	1.7
97.06532	6.4
98.97581	24.1
98.98309	1.3
98.98520	1.6
103.05453	5.7
105.04515	15.7
109.06524	1.1
111.08091	7.4
116.98621	15.9
119.76884	0.8
121.02887	1.8
121.06502	42.2
122.06835	1.5
124.05177	0.9
125.02345	2.8
134.99661	6.7
135.63318	0.8
139.05873	9.9
139.07541	9.9
139.11130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0753
Annotation	2-Hydroxyphenethyl alcohol
Peak:m/z	Relative Intensity
51.02362	3.0
53.03939	9.1
55.01863	9.0
55.05503	9.8
55.87491	3.0
56.96562	9.0
58.64197	2.1
60.56391	2.9
63.36190	2.7
65.03929	3.0
67.05502	16.7
69.03422	3.2
69.07048	7.3
70.89886	2.3
70.98954	4.8
77.03901	13.0
77.08958	2.4
79.05487	26.5
81.03423	18.9
81.07075	4.4
85.02888	3.8
91.05476	64.6
93.07040	99.5
95.04964	65.9
97.02895	3.7
97.06528	100.0
98.97572	35.3
103.05472	8.5
105.04509	20.6
109.06498	6.1
111.06364	3.1
111.08064	18.4
116.98616	18.4
121.02886	16.3
121.06508	50.6
134.99664	6.2
139.03925	8.4
139.05852	13.0
139.07521	26.4
153.74449	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	139.0754
Annotation	5-(hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
51.42175	2.0
53.03942	12.5
55.01862	9.6
55.05510	26.3
56.96568	18.4
59.64571	1.9
61.02938	1.9
65.03933	12.8
67.05501	15.8
68.99806	2.0
69.03421	16.8
69.07069	5.1
70.74399	2.1
77.03925	14.1
79.05491	22.9
79.35650	2.0
80.12763	1.9
81.03397	2.7
81.07066	2.4
82.50913	2.3
83.05009	4.5
83.08611	6.0
89.79691	1.9
90.37099	2.1
91.05476	71.1
93.03394	6.2
93.07043	100.0
95.04962	62.3
95.08590	3.3
97.02878	19.8
97.06528	26.1
98.97581	58.2
103.05415	4.3
105.04502	16.9
107.01325	2.8
109.06498	2.1
110.03561	2.2
111.04439	8.9
111.08075	35.4
116.98611	34.5
121.02861	39.1
121.06503	51.5
125.02341	29.5
126.08241	2.0
130.59363	2.0
134.99680	14.7
135.57336	1.9
136.66318	2.0
139.03941	2.0
139.05827	7.5
139.07544	23.2
140.04689	12.1
140.05714	2.1
143.56702	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78492	2.1
55.01883	2.3
55.05513	15.5
56.96562	33.9
57.03426	8.7
57.07076	15.0
59.04995	15.8
67.05505	12.6
69.03424	18.2
69.07074	16.2
69.69200	8.2
69.69535	3.0
77.03890	2.9
77.15951	2.1
79.05482	18.4
81.07042	18.3
83.04972	20.7
91.05482	9.1
93.07041	59.1
93.07611	4.9
95.04955	6.5
95.08601	42.8
97.06528	43.4
98.22752	4.2
98.97578	100.0
98.98481	4.0
103.05458	2.8
105.07028	25.1
111.08083	9.8
116.98613	60.4
119.08590	3.8
121.02901	2.5
121.10142	65.7
123.08077	3.0
124.08816	3.2
133.07629	3.3
134.99655	21.8
139.05818	5.7
139.11168	61.7
153.00682	2.9
154.33224	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
52.37119	0.8
55.01855	2.6
55.05513	7.5
56.96566	37.4
57.03432	3.1
57.07077	3.5
59.05000	10.3
63.65002	1.0
65.03935	1.4
67.05513	5.5
69.03429	6.7
69.07069	7.3
70.79420	1.9
71.04984	1.0
71.95266	1.8
77.82044	1.0
79.05495	9.8
81.07047	6.3
83.04990	7.1
91.05489	6.7
93.07043	24.3
95.04963	3.7
95.08599	20.9
97.02911	2.2
97.06524	20.1
97.10164	1.5
97.71645	1.2
98.97582	100.0
105.04499	1.7
105.07024	9.4
108.95081	1.1
109.06532	2.1
111.04447	1.7
111.08071	5.5
116.98618	78.9
119.08538	1.7
121.02885	4.8
121.04002	1.6
121.10146	31.9
122.10481	1.1
123.08046	2.2
124.08839	1.7
125.02367	2.6
128.12735	1.0
134.99658	35.2
139.05833	4.0
139.11179	33.0
139.12274	1.7
140.00188	1.8
140.04701	1.2
140.07129	1.1
140.11485	1.2
153.00706	3.7
158.01213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
51.78492	2.1
55.01883	2.3
55.05513	15.5
56.96562	33.9
57.03426	8.7
57.07076	15.0
59.04995	15.8
67.05505	12.6
69.03424	18.2
69.07074	16.2
69.69200	8.2
69.69535	3.0
77.03890	2.9
77.15951	2.1
79.05482	18.4
81.07042	18.3
83.04972	20.7
91.05482	9.1
93.07041	59.1
93.07611	4.9
95.04955	6.5
95.08601	42.8
97.06528	43.4
98.22752	4.2
98.97578	100.0
98.98481	4.0
103.05458	2.8
105.07028	25.1
111.08083	9.8
116.98613	60.4
119.08590	3.8
121.02901	2.5
121.10142	65.7
123.08077	3.0
124.08816	3.2
133.07629	3.3
134.99655	21.8
139.05818	5.7
139.11168	61.7
153.00682	2.9
154.33224	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55650	2.8
70.72689	5.3
74.69678	3.1
100.02499	5.1
101.00877	34.2
118.03519	7.7
119.01919	100.0
124.02442	3.9
136.04532	6.3
137.02991	22.3
141.04958	3.5
142.03516	19.8
160.04597	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69376	3.0
68.08370	2.8
70.08173	2.9
71.18473	4.2
82.99835	4.7
85.92941	3.5
101.00876	29.9
104.95450	3.0
118.03541	8.6
119.01922	100.0
119.02771	5.4
122.25168	3.0
122.78182	3.3
136.04607	7.9
137.02950	19.6
142.03500	19.8
160.04581	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77810	10.9
60.39429	9.9
69.98302	34.4
73.13456	11.2
99.21356	11.4
101.00908	29.8
119.01910	100.0
137.02928	20.7
137.50050	14.5
142.67696	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46373	0.7
52.50981	0.8
55.01852	1.2
55.05505	13.9
57.07071	11.1
58.06594	16.8
59.04992	4.1
63.03090	0.7
65.03957	1.0
67.05505	6.2
69.03420	3.8
69.07055	2.3
69.50787	3.0
71.04987	59.8
72.05307	0.9
73.06552	6.2
75.92005	0.7
79.05480	3.4
81.07069	1.8
83.04971	7.2
83.08613	5.6
84.08136	15.3
85.06052	1.3
85.06538	23.3
91.05463	1.8
97.10162	5.9
102.05499	1.1
102.96844	0.9
105.07058	1.3
107.08582	17.9
120.97822	1.0
125.09613	10.0
128.06209	2.7
143.03323	1.4
143.10663	2.5
144.10181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
56.05038	2.3
57.03441	1.7
58.06598	12.4
60.95847	5.2
60.98716	3.0
69.03423	1.4
70.06588	22.4
70.14568	2.4
71.04988	1.7
73.02905	2.7
78.99756	4.4
81.03404	2.4
83.55048	1.2
84.04498	5.5
84.08140	13.0
85.02894	2.2
88.07568	1.1
96.04453	1.6
97.00813	11.3
97.02865	2.4
97.34592	1.0
98.06048	27.9
98.09685	2.4
98.22778	1.4
99.04446	2.5
101.00895	2.6
102.00932	11.5
102.05521	2.8
102.96863	8.0
103.00614	10.0
119.01904	22.3
120.01994	100.0
120.03268	7.8
120.97921	11.2
121.00787	10.7
121.01647	76.1
121.02361	3.1
126.05521	3.8
137.02946	10.6
138.03062	43.9
138.04276	7.8
138.98946	9.6
139.01788	30.4
139.02715	31.0
143.03583	2.0
144.02150	2.6
144.03265	11.2
144.04736	1.4
144.06517	6.5
144.08098	5.3
144.10187	85.5
145.10510	1.3
156.99951	1.6
162.04314	8.3
162.52998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33548	0.2
55.05498	0.9
57.45985	0.3
58.06598	16.9
70.06599	0.3
71.04971	0.6
71.33979	0.3
72.08147	1.0
84.08139	15.9
85.06534	0.3
98.09676	1.4
99.04471	0.6
101.06028	0.4
102.05527	2.3
116.10698	0.4
144.10191	100.0
145.10583	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
55.05493	0.6
56.05031	0.3
57.01616	0.2
58.06593	15.2
69.77652	0.5
70.06581	0.4
71.04977	0.4
72.08157	1.0
83.04968	0.3
84.08132	13.0
98.09703	0.9
98.21651	0.2
99.04435	0.6
102.05524	2.1
107.51459	0.2
128.07047	0.2
139.50804	0.2
144.10179	100.0
145.10550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51961	0.2
55.05487	0.6
56.04726	0.2
56.05029	0.4
58.06596	16.9
67.06297	0.2
69.77592	0.7
70.06577	0.4
71.04989	0.4
72.08136	1.2
83.04967	0.5
84.08134	15.0
98.09686	1.2
98.23511	0.2
99.04442	0.7
102.05533	2.9
144.10182	100.0
145.10521	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.4
62.01557	0.4
63.02374	6.3
69.26716	0.7
69.27115	2.0
79.05491	0.6
80.63857	0.4
86.36465	0.4
89.03915	100.0
90.04249	2.1
91.05479	1.4
98.23534	0.4
103.05441	0.5
105.07030	5.6
115.05463	1.4
117.03377	47.3
117.07004	2.8
118.03725	1.1
119.04924	0.4
124.68493	0.4
129.07001	0.7
130.07784	2.6
135.04413	0.7
143.08565	0.6
145.02850	1.5
145.06491	1.1
145.10118	7.0
158.05998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62268	0.2
53.03940	0.2
57.03433	0.3
57.59045	0.2
58.06620	0.6
59.06935	0.3
62.01582	0.2
62.92979	0.4
63.02376	4.9
69.03432	0.3
70.85301	0.4
72.08149	1.0
72.12880	0.2
75.02361	0.4
79.05489	0.9
81.03428	0.2
84.08150	0.5
85.02887	0.4
85.08446	0.4
89.03915	100.0
90.04253	2.0
91.05481	1.2
105.07007	1.6
115.05441	1.4
117.03375	51.4
117.07020	1.3
118.03656	1.6
119.04865	0.3
121.96621	0.9
127.24252	0.2
129.04498	0.6
130.07764	1.0
135.04402	0.7
144.10201	0.4
145.02849	1.7
145.06471	2.7
145.07545	0.4
145.10568	4.3
146.05980	0.6
156.40388	0.2
158.05998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.2
59.06932	0.5
63.02371	5.6
67.05521	0.5
69.03432	0.6
69.23277	0.9
69.23685	1.0
72.08146	0.6
79.05490	0.5
84.08130	0.7
85.02905	0.6
85.08457	1.0
89.03913	100.0
90.04253	2.3
91.05480	0.8
97.02872	0.5
99.04485	0.5
99.06371	0.4
100.09238	0.3
104.82111	0.4
105.07021	1.1
115.05486	0.4
117.03373	49.0
117.07015	1.1
118.03733	1.2
129.04500	0.8
130.07799	0.7
134.92760	0.3
135.04362	0.5
144.10117	0.6
145.02823	1.7
145.06473	0.9
145.07555	0.5
145.10559	10.7
158.05959	0.3
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
52.54308	2.3
53.03946	10.6
55.01875	14.9
56.05034	1.9
57.03433	17.1
58.06590	5.4
59.06929	3.5
61.02923	16.5
62.93000	2.8
67.05497	2.0
69.03426	60.7
71.01339	1.8
71.04995	4.5
72.08150	24.6
78.03458	2.7
81.03411	18.4
83.01332	5.4
84.08145	5.1
85.02901	100.0
85.08469	5.7
89.03905	13.4
91.05460	10.6
97.02895	36.2
99.04472	8.6
105.07038	3.8
109.02872	7.1
112.11230	3.0
115.05461	7.0
117.03394	4.2
117.07021	4.0
118.06540	26.0
118.07310	2.5
121.96633	5.2
126.05520	4.7
127.03926	7.5
130.07793	3.6
139.01814	3.0
144.10170	2.3
145.02498	4.2
145.05000	3.4
145.06496	12.7
145.07494	3.4
145.08644	3.1
145.10555	61.1
146.01764	10.3
146.06018	5.6
146.08072	2.2
152.39789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
54.60852	1.0
58.06598	2.1
62.92984	21.6
65.03925	1.3
69.03411	1.3
70.84115	1.4
72.08144	2.3
85.08471	1.8
86.06076	5.1
87.04477	1.5
91.05475	42.8
92.05777	1.9
100.07606	2.5
105.07020	2.1
115.05450	64.4
116.06271	2.8
117.07018	24.8
118.06572	1.3
121.96634	28.7
126.44791	0.9
130.07799	1.9
144.98209	1.7
145.06480	100.0
145.10524	11.5
146.05884	6.3
146.07011	2.0
146.08105	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	145.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60852	1.0
58.06598	2.1
62.92984	21.6
65.03925	1.3
69.03411	1.3
70.84115	1.4
72.08144	2.3
85.08471	1.8
86.06076	5.1
87.04477	1.5
91.05475	42.8
92.05777	1.9
100.07606	2.5
105.07020	2.1
115.05450	64.4
116.06271	2.8
117.07018	24.8
118.06572	1.3
121.96634	28.7
126.44791	0.9
130.07799	1.9
144.98209	1.7
145.06480	100.0
145.10524	11.5
146.05884	6.3
146.07011	2.0
146.08105	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10067	1.2
58.06607	1.1
62.92982	3.3
63.26682	0.9
67.05531	1.3
79.05486	2.6
86.06066	1.6
90.10204	1.0
91.01809	1.0
91.05481	34.6
92.05830	1.3
103.05465	3.2
105.07027	52.5
115.05452	45.2
116.06300	5.7
116.06937	1.1
117.07021	39.3
118.07321	1.0
121.96656	6.2
128.06219	7.2
129.07008	10.7
130.07788	42.5
143.08557	5.1
145.06483	100.0
145.10110	60.7
146.06816	3.5
146.08014	1.2
146.10480	1.2
155.06029	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74295	0.6
53.03939	0.9
59.26683	0.9
62.92974	2.2
65.03938	1.3
65.38645	0.6
67.05475	1.5
70.74123	1.1
79.05489	2.3
86.06095	0.8
87.73203	0.6
88.00494	0.6
91.05474	39.1
92.05770	1.1
103.05463	3.5
105.07024	57.9
106.07369	0.8
109.71794	0.7
115.05447	48.5
116.06297	6.2
117.07014	43.8
117.07657	0.7
121.96630	2.8
128.06221	7.5
129.07001	14.2
129.07951	0.8
130.07777	48.7
131.08128	1.2
143.08540	6.1
145.06474	100.0
145.10106	67.0
146.06873	3.2
146.07877	0.8
146.10451	1.7
155.06035	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
62.92981	1.7
67.05489	1.5
70.75172	1.5
75.06406	0.9
79.05476	3.2
81.98531	0.9
91.05473	36.3
103.05460	3.5
105.07018	72.4
115.05446	49.6
116.06214	3.9
117.07010	48.4
118.07346	1.3
121.96613	2.1
128.06223	8.3
129.07007	16.8
130.07779	57.4
143.08528	7.2
145.06473	100.0
145.10110	84.3
146.06845	4.2
146.10426	1.1
155.06042	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.1
58.06577	2.9
59.06939	6.1
62.92990	16.9
69.84518	7.1
72.08151	4.8
79.05483	3.2
82.06576	2.2
85.08469	3.6
86.06084	5.9
87.04469	2.7
91.05482	49.3
103.05469	3.5
105.07026	87.2
106.07346	2.5
115.05444	48.0
116.06223	7.6
117.07021	52.2
118.06531	3.7
121.96650	28.7
128.06203	8.5
129.07016	18.1
130.07797	60.7
134.62045	2.0
143.08559	9.9
145.06487	93.0
145.07501	4.0
145.10107	100.0
146.05980	5.2
146.07022	2.6
146.08139	4.5
146.10587	2.6
155.06052	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	1.0
59.06913	1.2
62.92985	8.2
67.05489	1.5
71.42755	1.0
74.18530	1.0
79.05496	2.9
82.06551	1.2
84.08107	0.9
85.08444	1.4
86.06065	4.0
87.04460	1.5
91.05478	36.4
100.45383	0.9
103.05468	3.4
105.07026	54.6
115.05450	50.8
116.06297	5.3
117.07013	49.1
118.06565	1.0
118.07332	1.4
121.96635	12.9
128.06224	7.0
129.07013	11.2
130.07790	40.6
143.08575	6.0
144.99803	0.9
145.06482	100.0
145.10106	70.1
146.06876	2.9
146.08084	1.1
146.10515	2.0
155.06064	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92983	3.6
65.03926	2.1
69.11237	0.9
70.05608	2.6
74.31697	0.9
74.56406	0.9
79.05483	2.4
86.06030	1.3
87.04476	1.4
91.05479	43.3
92.05806	1.2
95.04971	1.1
103.05476	5.4
105.07026	65.7
106.07366	1.1
115.05450	49.8
116.06306	5.4
117.07019	45.9
117.07657	0.7
118.07350	2.0
121.96622	6.4
128.06203	6.9
129.06996	17.7
130.07788	48.2
138.75883	0.9
143.08578	7.6
144.48260	0.9
145.06480	100.0
145.10112	78.1
146.06834	3.5
146.10468	2.2
149.57420	0.8
155.06062	1.8
160.64397	0.9
163.68541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1222
Annotation	Ethyl caproate
Peak:m/z	Relative Intensity
55.05511	5.5
57.03433	2.5
58.06586	1.5
58.31862	0.8
60.36707	0.8
61.64859	0.9
65.10963	0.9
65.98111	0.9
67.05492	7.2
69.03405	1.3
69.07026	0.9
69.74806	3.2
70.80740	0.9
71.05000	1.5
71.08627	100.0
72.08138	1.0
72.08971	2.3
79.05514	0.9
81.07052	1.8
84.12350	0.8
85.02876	1.4
89.03918	10.2
90.04203	0.8
91.05492	1.9
97.10193	0.9
98.22727	1.1
99.04418	0.9
99.08088	36.5
104.79120	0.8
105.07021	3.7
109.10144	2.3
110.91419	0.9
115.05459	2.0
117.03397	4.3
117.07029	1.8
122.56380	0.8
127.11178	13.8
130.07794	1.9
145.06464	0.9
145.10504	9.4
146.06021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.93332	0.5
65.03907	0.9
70.49908	0.9
72.08146	2.8
91.05472	24.0
117.05772	4.5
118.06533	100.0
119.06879	2.5
146.01830	0.8
146.05991	13.8
147.04384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	N-Methyl-L-isoleucine
Peak:m/z	Relative Intensity
54.38153	0.3
55.05510	5.0
56.05029	1.0
57.03434	0.5
57.04560	5.3
58.06595	4.9
60.05646	3.3
60.18115	0.3
60.75500	0.3
65.03934	0.9
67.05499	0.5
68.05030	0.3
69.03422	1.5
69.07065	13.5
70.06583	0.8
70.26745	0.5
70.27048	0.3
71.07378	2.8
72.08153	5.2
73.06552	6.3
74.07206	1.7
79.42529	0.3
83.06096	0.9
84.04521	0.7
84.08138	6.5
85.08910	0.4
86.06063	12.9
87.04463	15.4
87.06400	0.4
90.09191	7.6
91.05473	6.6
100.11251	100.0
101.10970	0.5
101.11539	2.1
102.72799	0.3
104.07100	2.0
104.90848	0.4
111.05563	2.0
116.98680	0.3
118.06509	0.4
118.08672	0.4
119.04946	6.1
120.02028	0.4
121.01637	1.6
122.01981	0.7
122.36095	0.3
128.08202	1.2
129.06691	0.4
130.08633	0.6
146.05986	0.4
146.08104	1.4
146.09259	6.7
146.10669	3.6
146.11775	1.8
146.12808	4.2
147.04370	2.5
147.05269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.03261	0.3
55.05502	0.4
61.47778	0.4
63.02385	0.5
65.03935	10.6
69.44347	1.7
71.80295	0.3
79.05520	0.4
81.07050	0.4
91.05476	100.0
92.05806	2.4
95.04945	0.5
105.07028	3.0
117.07020	0.5
118.40150	0.4
119.04935	96.7
119.08562	3.3
120.05262	2.4
147.04401	34.3
147.11681	1.4
147.50452	0.4
148.04765	1.0
158.16017	0.3
159.06349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03939	11.1
69.49010	1.4
69.49412	0.6
72.08145	0.4
91.05476	100.0
92.05813	2.2
95.04956	0.8
111.89590	0.4
119.04935	88.7
120.05245	2.6
127.40353	0.3
136.14381	0.4
147.04402	30.9
148.04736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.01331	0.5
56.05014	0.6
65.03942	21.3
66.68127	0.5
68.99783	1.1
69.62191	1.9
72.08170	1.3
84.04506	19.9
84.05012	1.1
91.05478	100.0
92.05792	2.2
102.05543	0.9
103.05465	1.0
119.04943	34.6
120.05318	1.0
130.05013	5.1
147.04404	72.5
148.04729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.89303	0.3
55.26506	0.3
65.03938	9.6
69.07076	0.4
69.24002	2.4
91.05477	100.0
92.05818	2.6
95.04971	0.6
105.07005	1.8
112.16452	0.4
115.62269	0.3
117.07018	0.6
119.04936	99.4
119.08548	3.3
120.05269	2.4
121.50796	0.3
131.66855	0.4
147.04405	37.7
147.09166	0.5
147.11678	1.4
148.04741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05027	3.4
69.78776	0.5
70.81879	0.9
71.32166	0.5
84.04498	100.0
84.08132	1.1
85.02905	1.4
85.04836	1.3
86.18130	0.5
101.07130	2.9
102.05530	3.6
105.66306	0.5
130.04994	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	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03934	0.3
55.05515	0.4
56.05037	0.6
64.92795	0.4
65.03934	0.9
67.05499	0.4
69.03420	0.3
69.34634	1.3
70.36749	0.2
70.45252	0.2
77.03922	0.5
78.04739	0.3
79.05487	2.5
81.07016	0.3
84.04501	12.1
85.02897	0.3
91.05477	36.6
92.05818	0.7
93.07047	2.3
94.64108	0.3
95.04971	0.7
101.07111	0.4
103.05451	3.5
104.06260	2.4
105.04549	0.3
105.05835	0.6
105.07034	4.2
109.06519	0.3
115.05492	1.2
117.07018	22.0
118.07378	0.6
119.04976	1.5
119.08573	100.0
120.08104	0.6
120.08891	3.2
121.06526	0.4
123.96434	0.4
128.06245	1.3
129.06998	7.2
130.04997	3.0
130.06497	0.5
131.05061	0.3
131.06088	0.6
132.05701	0.7
133.05232	0.7
145.10095	0.3
147.04414	2.4
147.05533	0.8
147.08041	15.3
147.09073	0.7
147.11691	2.4
148.07541	5.5
148.08475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05515	0.4
56.05037	0.6
64.92795	0.4
65.03934	0.9
67.05499	0.4
69.03420	0.3
69.34634	1.3
70.36749	0.2
70.45252	0.2
77.03922	0.5
78.04739	0.3
79.05487	2.5
81.07016	0.3
84.04501	12.1
85.02897	0.3
91.05477	36.6
92.05818	0.7
93.07047	2.3
94.64108	0.3
95.04971	0.7
101.07111	0.4
103.05451	3.5
104.06260	2.4
105.04549	0.3
105.05835	0.6
105.07034	4.2
109.06519	0.3
115.05492	1.2
117.07018	22.0
118.07378	0.6
119.04976	1.5
119.08573	100.0
120.08104	0.6
120.08891	3.2
121.06526	0.4
123.96434	0.4
128.06245	1.3
129.06998	7.2
130.04997	3.0
130.06497	0.5
131.05061	0.3
131.06088	0.6
132.05701	0.7
133.05232	0.7
145.10095	0.3
147.04414	2.4
147.05533	0.8
147.08041	15.3
147.09073	0.7
147.11691	2.4
148.07541	5.5
148.08475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.45251	0.9
53.71244	1.0
55.05508	8.2
55.16645	1.1
56.54836	1.0
62.78951	1.2
64.23499	1.2
64.92805	2.7
67.05489	2.8
69.07046	1.7
71.42590	1.0
73.44543	1.0
79.05489	4.6
81.07051	1.9
84.50652	1.3
90.77536	1.1
91.04944	1.8
91.05478	26.5
93.07045	2.8
95.04956	1.6
100.39474	1.1
103.05462	2.8
105.07027	72.9
106.07333	2.1
107.08569	2.1
117.07007	7.4
119.04922	3.2
119.08575	100.0
120.08904	2.8
123.96470	3.7
129.06917	1.4
131.08563	1.6
132.09349	2.4
145.10141	6.0
147.04378	4.2
147.05539	4.1
147.08028	3.1
147.09171	3.7
147.11676	43.8
148.07544	3.1
148.12062	1.4
157.34859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.29831	1.0
53.03930	1.3
55.05260	1.3
55.05511	15.8
56.05024	1.1
59.38779	1.0
65.03921	2.4
67.05491	3.4
69.07053	3.1
70.15251	2.2
79.05491	7.8
81.07043	2.6
84.04018	2.0
84.04500	29.8
84.05006	1.8
90.14897	1.1
91.05472	38.1
93.07029	4.9
93.57064	1.1
94.21218	1.0
95.04964	1.9
102.05534	1.3
103.05453	3.4
105.07019	100.0
106.07346	1.7
107.08583	3.5
117.07016	9.7
119.04967	3.7
119.08568	91.4
120.08102	1.9
120.08900	2.9
123.07787	1.1
123.96454	1.2
129.07016	1.4
130.04996	8.9
130.06516	1.3
131.08618	1.0
132.09332	3.0
133.05183	2.2
145.10123	6.9
147.04460	5.5
147.05449	1.7
147.11676	43.6
148.07573	16.5
148.08656	2.0
148.12067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05510	14.1
65.03932	1.5
67.05501	2.4
69.07052	3.4
70.57463	1.5
77.03924	1.2
79.05487	7.5
81.07050	1.3
84.04502	21.2
84.08089	0.9
91.05475	41.3
92.05780	1.0
93.07040	3.6
95.04959	1.9
103.05471	5.2
104.06255	0.8
105.07024	100.0
106.07363	2.4
107.08593	4.2
115.05493	1.5
116.06219	0.9
117.07001	9.5
118.07815	1.2
119.04925	2.3
119.08574	84.4
120.08101	1.3
120.08903	2.5
129.06960	1.0
130.05035	5.8
131.08586	1.6
132.09346	3.5
145.10110	5.2
147.04387	3.1
147.05450	1.1
147.06599	1.4
147.07932	1.3
147.11682	44.1
147.90749	0.8
148.07578	7.5
148.12100	2.1
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	Viridiene
Peak:m/z	Relative Intensity
50.39521	1.0
50.90203	0.9
55.05508	7.2
56.69416	0.9
65.03928	5.5
67.05499	1.7
69.07059	2.7
79.05493	8.3
81.07048	2.2
84.04488	1.3
91.05473	71.4
92.05798	1.5
93.07016	2.9
95.04947	3.0
103.05454	3.5
104.90781	1.3
105.07021	90.7
106.07322	2.2
107.08582	4.2
116.06216	1.3
117.07015	11.7
118.07858	1.2
119.04939	37.0
119.08568	100.0
120.05258	2.0
120.08116	1.6
120.08904	2.8
123.96470	1.2
129.06972	1.7
130.07759	1.0
131.08537	2.1
132.09338	5.2
145.10115	8.2
146.91774	1.1
147.04402	16.6
147.05530	3.9
147.08000	3.0
147.09183	3.8
147.11674	61.0
148.07538	5.0
148.12024	1.8
149.23477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05509	7.7
57.09549	1.0
64.92803	3.4
65.03911	1.7
67.05503	6.0
69.07077	2.5
70.06575	2.4
71.04958	1.0
71.42641	1.4
79.05492	10.0
81.07047	5.7
84.04490	2.2
88.88938	1.1
91.05476	48.7
92.04986	1.2
92.05808	2.2
93.07046	5.3
95.04955	1.9
103.05466	3.2
104.90781	1.7
105.07024	100.0
106.07342	3.1
107.08576	2.3
115.05480	1.3
117.07018	10.1
119.04930	4.6
119.08572	91.4
120.04474	1.8
120.08125	1.2
120.08899	4.0
123.96469	5.4
129.06946	1.9
130.09767	2.0
131.08563	1.4
132.09389	1.7
145.10112	4.5
147.04404	7.2
147.05536	5.9
147.08032	5.1
147.09196	3.8
147.11678	49.6
148.07571	4.9
148.12057	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39521	1.0
50.90203	0.9
55.05508	7.2
56.69416	0.9
65.03928	5.5
67.05499	1.7
69.07059	2.7
79.05493	8.3
81.07048	2.2
84.04488	1.3
91.05473	71.4
92.05798	1.5
93.07016	2.9
95.04947	3.0
103.05454	3.5
104.90781	1.3
105.07021	90.7
106.07322	2.2
107.08582	4.2
116.06216	1.3
117.07015	11.7
118.07858	1.2
119.04939	37.0
119.08568	100.0
120.05258	2.0
120.08116	1.6
120.08904	2.8
123.96470	1.2
129.06972	1.7
130.07759	1.0
131.08537	2.1
132.09338	5.2
145.10115	8.2
146.91774	1.1
147.04402	16.6
147.05530	3.9
147.08000	3.0
147.09183	3.8
147.11674	61.0
148.07538	5.0
148.12024	1.8
149.23477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03930	1.3
55.05503	5.8
58.31191	0.7
65.03937	3.2
65.45874	0.7
67.05496	8.6
69.07066	2.8
71.43963	0.8
79.05486	10.8
80.70173	0.7
81.07046	6.4
91.05471	70.3
92.05806	2.1
93.07029	5.3
95.04961	2.5
103.05451	3.2
104.90818	1.2
105.07018	100.0
106.07288	3.2
107.08539	1.4
117.06987	6.7
119.04070	1.1
119.04928	20.9
119.08566	58.6
120.05295	1.6
120.08903	1.6
123.96423	1.7
131.08504	1.0
132.09282	0.8
145.10117	4.5
147.04402	8.8
147.05548	2.1
147.08115	1.1
147.09178	1.6
147.11670	41.4
148.07576	2.6
148.12051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03943	4.0
55.01865	4.8
65.03937	7.5
69.03427	1.5
72.83988	0.7
77.03918	6.1
78.04713	2.0
79.05489	10.0
81.03419	5.2
89.03929	0.7
91.05473	29.2
93.03403	1.9
93.07041	17.2
95.04963	18.8
102.04737	1.0
103.05458	13.4
105.04514	7.2
106.04157	6.1
107.04949	2.5
111.04459	1.7
117.44199	0.8
117.48442	0.7
121.02876	7.9
121.04052	3.6
121.06496	100.0
122.05986	0.8
122.06833	2.7
131.04857	1.0
134.03625	4.3
149.02333	17.1
149.05975	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02365	1.9
53.03940	8.9
55.01859	3.0
57.39527	0.9
65.03935	7.9
67.05488	1.0
68.99772	1.6
69.49468	2.7
72.14442	0.8
77.03922	13.7
78.04678	1.9
79.05478	3.0
81.03411	2.8
84.31089	0.9
91.05473	49.8
92.05792	0.9
93.07040	28.3
95.01247	0.9
95.04961	39.4
96.05289	1.4
97.15361	0.8
98.23501	1.0
103.05464	10.7
105.04507	15.2
107.04941	4.2
111.04447	1.5
119.04861	1.1
121.02876	8.1
121.03989	2.7
121.06498	100.0
122.06841	4.0
131.04921	15.4
134.03625	2.9
149.02338	13.8
149.05969	40.1
152.35869	0.8
163.47884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.53084	1.8
51.02383	3.3
53.03947	13.5
55.01871	7.7
63.53025	1.8
65.03928	2.8
77.03925	19.6
77.10789	1.7
79.05488	17.1
81.03414	49.3
91.05479	100.0
93.07043	98.9
94.07424	2.3
95.01318	10.2
95.04965	51.9
95.05536	3.6
103.05463	13.6
105.04508	23.9
107.04945	15.8
121.06501	74.4
122.08433	1.8
131.04929	6.4
149.05965	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02373	2.2
53.03940	11.6
53.57975	1.2
55.01862	7.0
65.03938	56.3
70.98233	1.9
72.30764	1.1
77.03921	17.7
79.05488	14.3
81.03413	40.7
91.05476	74.6
93.03406	12.5
93.07040	73.6
94.07357	2.9
95.01339	7.6
95.04965	47.9
103.05467	16.0
105.04516	21.4
105.06998	2.4
107.04945	12.8
107.08566	1.4
111.04430	8.6
121.02859	58.4
121.03973	23.5
121.06503	59.0
131.04942	7.1
134.03589	1.6
149.02338	100.0
149.05975	44.0
149.09567	1.6
150.02679	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03943	3.7
55.01867	4.9
65.03932	6.9
69.03425	1.0
70.97595	0.9
75.11341	0.7
76.44386	0.6
77.03924	6.5
78.04704	2.4
79.05490	9.5
81.03413	7.1
91.05476	29.6
93.03412	1.4
93.07037	16.6
95.04965	18.0
103.04856	0.6
103.05465	12.9
105.03359	0.7
105.04488	7.2
106.04170	5.1
106.76384	0.6
107.04931	2.1
111.04441	1.0
119.04979	0.7
119.81649	0.7
121.02872	6.0
121.04016	2.8
121.06498	100.0
122.06844	3.1
131.04951	1.8
134.03653	3.4
149.02336	14.7
149.05971	26.4
150.06320	1.3
151.64027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01861	1.8
55.05506	1.4
55.40583	0.7
58.56199	0.6
63.02366	3.3
65.03939	48.0
66.04270	0.8
67.05494	0.9
69.03423	0.7
71.05927	0.6
71.39658	0.9
77.03924	3.1
78.04700	8.7
79.05486	8.6
81.07026	0.8
84.90353	0.7
89.03913	56.6
89.42458	0.6
90.04241	1.8
91.05472	22.1
93.02864	0.6
93.03401	13.4
93.03957	1.4
93.06129	1.0
93.07048	17.6
95.04975	5.7
103.05466	4.9
105.03387	2.0
105.04509	2.9
105.07025	11.4
106.04175	6.8
107.04947	1.8
107.08602	2.8
109.06507	1.0
111.04432	9.8
115.05421	1.2
116.06232	4.3
117.03372	24.7
119.08614	1.7
121.02859	60.6
121.03970	19.6
121.06490	11.7
121.09364	1.1
121.10142	8.4
122.03222	1.1
123.08083	1.3
124.05224	2.2
129.07014	0.9
131.08563	4.8
133.07591	1.5
134.03636	11.4
134.07259	1.4
135.04391	4.6
149.02336	100.0
149.05977	32.7
149.07031	1.6
149.09619	23.0
149.10805	1.7
150.02730	3.9
167.03381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02383	0.9
53.03942	1.9
55.01868	7.0
55.05500	3.5
65.03941	49.5
67.05492	1.4
69.03430	1.8
69.07066	1.3
69.34108	3.6
77.03931	2.5
79.05492	22.9
81.03407	2.2
81.07043	1.9
85.80610	0.7
91.05478	37.1
92.05757	0.8
93.03407	11.2
93.07043	40.0
95.04964	10.7
103.05463	5.4
105.04521	3.2
105.07024	23.0
106.07826	2.1
107.04946	9.5
107.08603	12.4
108.04498	2.4
109.06501	1.6
111.04433	10.1
115.05449	2.3
116.06219	7.1
119.04937	1.4
119.08579	7.7
121.02863	49.1
121.03972	19.1
121.06505	17.8
121.09280	1.2
121.10146	18.5
123.08064	2.0
129.07016	4.2
131.08566	19.3
133.06519	2.0
133.07568	2.1
134.07253	3.7
147.08051	2.5
149.02336	92.4
149.06004	10.9
149.09613	100.0
150.02672	2.7
150.09964	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	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03928	4.3
55.01865	15.6
55.05496	3.7
60.38935	1.2
65.03595	2.6
65.03934	46.8
66.04255	1.6
67.05485	6.6
69.03422	3.7
69.55720	2.8
69.56129	3.9
77.03909	4.3
78.04686	1.8
79.05483	40.5
81.03411	6.4
81.07053	2.3
89.03907	8.2
91.05473	46.6
93.03400	12.3
93.07034	40.6
94.07380	1.5
95.04966	13.1
103.05443	5.7
103.45705	1.3
105.04486	6.0
105.07021	43.1
107.04942	26.2
107.08586	37.8
109.06528	2.2
111.04423	6.1
116.06192	3.4
117.03382	3.5
119.08596	2.0
121.02851	54.3
121.03965	20.2
121.06488	19.7
121.10125	8.9
122.03217	2.1
129.07005	3.1
131.08566	21.3
133.06439	2.6
134.03638	2.6
134.07205	1.9
149.02328	100.0
149.05966	12.5
149.09602	49.8
149.10808	2.3
150.02657	2.0
157.91267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.19377	0.9
53.03948	2.3
53.98122	1.0
55.01867	7.4
55.05498	2.5
63.02367	2.8
65.03939	49.6
66.04252	1.1
67.05489	2.5
69.03419	2.6
70.50845	1.4
70.70605	0.9
77.03918	2.7
78.04708	12.1
79.05046	1.5
79.05490	25.5
81.07045	3.6
89.03915	73.6
90.04257	1.1
91.05476	39.5
91.74585	0.9
93.03406	12.3
93.07042	35.6
95.04976	9.6
95.08593	4.5
103.05453	7.7
105.03384	3.0
105.04481	4.8
105.07029	14.6
106.04152	7.0
107.04953	4.9
107.08584	7.1
111.04433	10.5
115.05448	1.9
116.06267	6.0
117.03378	25.9
119.08578	4.0
121.02860	57.4
121.03973	20.6
121.06476	10.1
121.10142	10.8
123.08060	1.1
124.05183	2.1
129.06972	3.7
131.08560	23.2
133.06448	1.5
134.03627	13.3
134.07304	1.6
135.04391	4.0
149.02339	100.0
149.05969	35.7
149.09615	26.7
149.10806	1.4
150.02660	3.2
150.06331	2.0
150.09979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03949	1.3
55.01854	2.5
55.05499	2.3
65.03938	45.2
66.04250	0.8
67.05488	1.3
69.03431	3.9
69.26708	1.6
69.27092	2.0
77.03909	1.9
77.43845	0.7
78.04700	0.9
79.05050	0.9
79.05489	17.5
81.07044	2.5
89.03909	9.8
91.05473	28.5
92.05818	0.9
93.03403	11.0
93.07040	40.2
94.07340	0.8
95.04979	6.2
95.08590	1.4
103.05458	4.4
105.04505	2.5
105.07025	17.3
106.04191	1.1
106.07845	1.4
107.04948	2.1
107.08591	22.5
108.04482	0.7
109.06535	4.1
111.04427	10.5
114.80200	0.7
115.05450	1.6
116.06244	3.5
117.03399	3.6
119.06043	1.1
119.08582	1.8
121.02856	55.9
121.03969	18.6
121.06480	10.9
121.10133	18.0
122.03236	1.2
123.08065	1.0
129.06996	1.9
131.08575	7.3
133.07603	1.0
134.03612	2.0
149.02332	100.0
149.05951	7.1
149.07060	1.3
149.09612	23.5
149.10822	1.2
149.13229	1.5
150.02669	2.6
167.03343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02386	1.1
51.42920	0.7
53.03946	1.8
55.01878	1.8
55.05511	4.7
57.03439	0.9
65.03940	40.7
65.58968	0.8
66.04292	0.9
67.05499	1.1
69.03420	3.0
69.19222	4.6
72.54958	0.7
77.03934	2.3
79.05492	20.4
81.07060	1.2
89.03909	3.7
91.05479	27.7
92.05757	0.9
93.03397	10.8
93.07041	66.9
94.07336	1.1
95.04964	8.0
98.22697	1.4
103.05459	3.3
105.03391	0.9
105.04518	3.8
105.07020	9.9
107.04949	2.0
107.08617	4.5
108.04456	1.4
111.04449	9.8
111.75330	0.8
116.06222	1.7
117.03336	1.6
118.66573	0.7
119.08575	2.0
119.89725	0.7
120.14529	0.7
121.02858	52.6
121.03974	17.4
121.06499	7.9
121.10134	11.5
122.03202	1.4
126.05556	0.9
129.07014	0.8
131.08556	6.9
136.84280	0.8
140.31717	0.8
149.02335	100.0
149.05977	5.5
149.09610	15.2
149.13251	0.7
150.02652	2.5
154.95741	0.7
167.03400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01598	0.4
51.02382	0.6
52.03144	1.4
53.03940	1.9
54.96968	0.3
55.01870	5.6
55.05499	0.4
65.03938	17.1
65.07751	0.3
66.04257	0.3
66.77534	0.3
67.05499	16.3
68.05820	0.4
69.03426	0.3
69.27764	1.7
71.01342	0.5
77.03918	3.0
79.05476	1.1
80.02632	2.5
81.03404	0.7
81.07054	1.6
83.06107	0.3
84.02113	0.3
91.05431	0.7
92.04996	0.4
93.03396	1.1
93.07036	1.0
95.01310	0.6
95.04964	12.6
95.08601	1.5
95.63659	0.3
98.03675	0.7
103.05480	0.5
105.04517	3.5
105.07020	2.2
107.04943	0.8
107.08556	0.3
108.02092	24.0
108.05720	0.8
109.02928	1.5
109.06528	0.8
109.10146	0.3
110.06036	0.4
111.04434	5.1
112.01589	0.4
119.06086	0.6
121.02818	0.2
121.03139	0.3
121.03980	2.9
123.04396	1.6
123.05542	0.6
123.08057	11.4
123.09113	0.9
127.03906	0.4
133.06503	0.6
133.10199	0.4
136.01543	3.2
141.05450	14.6
142.05815	0.4
151.03888	100.0
151.05020	51.2
151.07509	3.4
151.08661	2.9
151.11166	2.6
152.04248	2.5
152.05367	1.2
169.03516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03946	0.7
55.01867	0.4
55.05513	2.3
57.03434	0.4
57.07052	0.6
58.26893	0.2
64.96819	0.2
65.03932	0.8
67.05501	7.2
69.03422	0.8
69.07066	1.0
71.05001	0.9
71.44201	0.2
77.03922	0.4
79.05484	3.9
81.03439	1.3
81.06567	0.4
81.07050	8.6
83.04981	0.4
91.05473	2.6
93.07037	5.8
94.04188	0.2
95.04961	3.1
95.08598	7.0
96.32836	0.2
97.06487	0.4
103.05457	0.9
105.04511	0.4
105.07019	6.9
107.04955	4.0
107.08581	1.6
108.05731	11.8
109.05856	0.3
109.06528	3.6
109.10146	1.7
121.06477	1.2
122.07265	3.5
123.08059	100.0
123.11629	2.5
124.08392	2.6
133.06496	2.4
133.10124	1.7
151.02815	0.8
151.03966	0.6
151.07530	22.2
151.11163	6.4
152.07887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.8
55.05509	1.9
57.03463	0.3
65.03930	0.8
67.05499	9.5
69.03426	1.1
70.61916	0.6
71.01366	0.5
71.46904	0.3
77.03921	0.6
79.05484	5.1
80.06243	0.3
81.03413	2.1
81.07050	3.7
91.05469	2.7
93.07043	3.1
94.04191	0.9
95.04966	1.9
95.08600	13.5
96.08910	0.5
103.05463	1.2
105.04516	0.4
105.07020	9.5
107.04945	5.5
107.08604	0.7
108.05724	11.7
109.06529	3.1
121.06499	1.3
122.07285	3.9
123.08057	100.0
124.08362	1.8
133.06477	3.5
137.75955	0.3
151.07526	21.4
152.07880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03936	0.8
54.87852	0.4
55.01876	0.7
55.05490	0.5
58.74056	0.4
65.03911	0.4
67.05508	5.7
69.03432	0.5
70.49436	0.6
77.03920	0.9
79.05493	10.2
79.05943	0.8
81.03418	39.9
81.07056	4.5
82.03709	0.5
83.04967	0.5
91.05483	5.0
93.07047	4.1
94.04190	19.2
95.04974	2.7
95.08609	10.7
99.47681	0.5
103.05473	4.0
105.04557	0.6
105.07030	25.3
107.04950	6.1
107.08574	0.7
108.05746	1.9
109.06528	5.8
118.04160	0.7
123.08067	9.6
133.06496	12.1
136.05217	2.6
151.07541	100.0
152.07896	2.6
168.00099	0.4
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	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03946	5.5
55.01878	5.3
55.02097	1.0
55.05510	12.2
57.03415	1.7
65.03934	7.1
67.05502	76.8
69.03423	29.3
69.07061	1.4
69.58165	2.0
69.58549	1.5
77.03922	2.3
79.05487	28.9
80.04994	0.9
80.06282	1.0
81.03417	9.3
81.07053	53.5
82.07394	1.1
91.05468	17.3
93.07039	30.0
94.07374	1.3
95.01305	1.1
95.04954	18.7
95.05520	1.1
95.08601	81.1
95.18630	0.9
96.08234	0.9
96.08931	1.6
103.05463	2.6
105.04517	2.7
105.07026	35.1
107.04950	4.2
107.08569	4.8
108.02080	5.2
108.05729	4.7
109.02876	1.6
109.06523	14.4
109.10165	2.8
111.04366	1.1
119.04918	2.5
121.06494	1.9
121.10079	1.0
122.07299	1.5
123.03410	1.3
123.04444	2.0
123.08060	100.0
123.11695	2.8
124.08401	2.0
133.06493	6.7
133.10120	4.7
136.05159	1.5
137.48317	0.9
141.05443	3.3
141.09018	1.0
151.02841	4.6
151.03893	24.5
151.05026	13.7
151.07539	44.6
151.08623	2.6
151.11191	7.3
151.12285	1.3
152.03314	1.4
152.07062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03961	0.9
53.46429	0.3
55.01877	0.5
55.05505	1.8
65.03953	0.6
67.05504	9.6
69.03435	1.7
71.01363	0.5
71.11620	0.4
77.03934	0.5
79.05489	5.0
80.02666	0.4
81.03411	2.2
81.07056	4.4
91.05482	2.3
93.07054	4.1
94.04198	0.6
95.04978	1.5
95.08606	13.1
95.09222	0.7
96.37875	0.3
99.02721	0.4
103.05472	0.7
105.04553	0.4
105.07028	8.7
107.04961	5.7
108.05735	12.0
109.06539	2.9
121.06499	1.3
122.07295	3.8
123.08064	100.0
124.08403	2.5
133.06480	3.2
151.07536	19.8
152.07857	0.4
155.89037	0.4
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	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03942	0.4
55.01885	0.4
55.05504	1.7
65.03950	0.4
67.05502	6.8
69.03434	0.6
71.01356	0.3
77.03941	0.5
79.05489	3.3
80.02650	0.3
80.06268	0.4
81.03399	1.1
81.07059	2.2
91.05479	1.8
93.07045	3.0
95.04964	1.6
95.08600	7.3
103.05463	0.7
105.04499	0.6
105.07027	6.3
107.04951	5.9
107.05670	0.3
108.05729	12.7
109.06522	1.4
121.06503	1.0
122.07270	3.9
123.08060	100.0
124.08390	2.0
133.06483	2.6
151.07529	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	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03933	0.6
54.33327	0.4
55.05498	1.4
63.82906	0.5
64.24931	0.4
65.03930	1.0
65.99118	0.4
67.03800	0.4
67.05499	7.1
69.03440	0.6
70.77378	0.7
77.03924	0.7
79.05511	2.5
80.06309	0.4
81.03406	1.0
81.07041	1.9
91.05466	1.3
93.07059	2.7
95.04961	1.6
95.08598	5.7
103.05466	0.6
105.04512	0.6
105.07021	5.1
107.04944	5.5
108.05727	12.7
108.67702	0.4
109.06545	0.9
121.06495	1.0
122.07281	3.9
123.08057	100.0
124.08327	2.2
133.06459	2.3
151.03879	2.7
151.05029	1.4
151.06339	1.0
151.07530	18.0
151.08752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03938	0.4
55.01873	0.3
55.05508	2.1
57.03433	0.2
65.03934	0.6
67.05502	7.0
69.03423	0.8
69.07071	0.2
69.13084	1.1
74.49281	0.2
77.03912	0.5
78.73310	0.2
79.05492	3.6
80.02627	0.3
81.03401	1.3
81.07051	5.2
91.05480	2.3
91.55040	0.2
93.07040	3.2
95.04966	1.7
95.08600	6.8
103.05455	0.5
105.04504	0.4
105.07023	6.6
107.04947	4.7
107.08572	1.1
108.05731	9.9
109.05991	0.2
109.06540	2.2
109.10150	0.6
111.04477	0.2
121.06500	1.1
122.07288	3.9
123.08060	100.0
124.08399	2.2
126.76724	0.2
133.06494	2.2
133.10120	0.9
151.02803	0.3
151.03911	1.0
151.05023	0.6
151.07533	20.2
151.11150	1.9
152.07874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
50.03875	0.2
53.03940	0.6
55.01865	0.8
55.05504	2.1
57.03420	0.4
57.07048	0.3
65.03933	1.0
67.05499	8.3
68.99786	0.3
69.03413	1.4
69.07035	0.5
71.04991	0.4
71.54560	0.2
77.03899	0.6
79.05487	3.9
80.02623	0.4
81.03416	1.7
81.07050	12.5
82.07349	0.3
83.04985	0.4
91.05469	3.1
93.07035	8.6
93.20156	0.2
95.04965	2.9
95.08599	8.2
96.08928	0.4
97.06502	0.2
103.05464	0.9
105.04517	0.5
105.07019	9.4
107.04948	4.4
107.08578	2.2
108.02087	0.6
108.05729	10.6
109.06522	4.2
109.10124	1.3
114.48389	0.2
121.06496	1.1
121.10101	0.3
122.07278	3.7
123.04504	1.1
123.08057	100.0
123.11639	2.2
124.08393	2.7
133.06500	2.6
133.10118	3.6
151.02856	0.4
151.03896	2.5
151.04980	1.0
151.07527	19.4
151.11156	8.0
152.07907	0.6
152.11494	0.2
153.12260	0.2
159.27533	0.2
169.03441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	2-Phenylpropionic acid
Peak:m/z	Relative Intensity
53.03938	1.1
53.31896	0.7
54.86445	0.7
55.01856	1.3
55.05508	3.3
58.24715	0.7
58.64242	0.8
59.89360	0.6
65.03928	3.9
67.05499	15.8
70.75581	1.5
73.55136	0.7
76.31838	0.7
77.03927	2.6
79.05490	41.7
81.03423	1.1
81.07053	6.9
91.05478	40.0
93.07053	5.4
95.04969	6.4
95.08602	39.9
96.08937	0.9
103.05465	8.9
105.04522	2.5
105.07024	100.0
106.07365	1.7
107.04950	4.1
107.08585	18.2
109.06522	14.1
119.06065	6.1
123.04459	1.0
123.08069	17.9
125.86744	0.9
133.06483	52.0
151.07536	97.8
152.07880	1.6
159.25194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	2-Phenylpropionic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	0.9
55.05509	8.4
57.03413	1.3
57.07048	0.5
65.03933	2.4
67.05499	10.8
69.03423	1.8
69.07049	0.6
69.69615	1.9
71.04994	0.9
77.39055	0.6
79.05486	14.8
79.38778	0.5
81.03410	43.2
81.07053	20.7
82.03745	0.6
83.04949	0.8
91.05468	10.7
93.07037	13.6
94.04182	16.6
95.04964	7.0
95.08598	15.2
97.06493	1.8
103.05468	4.8
105.04540	1.1
105.07021	33.1
106.07408	0.8
107.04948	8.8
107.08582	8.8
108.05722	3.5
109.06518	12.6
109.10134	4.7
110.07291	0.6
118.04200	0.9
119.04916	1.5
121.06492	0.6
121.10098	1.1
123.08054	19.3
123.11704	5.4
124.08502	0.8
131.08485	0.6
133.06497	11.4
133.10118	5.1
134.55975	0.5
136.05196	2.9
139.76878	0.6
151.03900	1.9
151.07527	100.0
151.11142	10.7
152.07861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
53.03931	1.3
53.12376	0.4
55.01865	2.4
55.05510	2.1
56.41071	0.4
57.03423	0.8
65.01831	0.5
65.03923	2.5
65.23803	0.5
67.05500	12.9
69.03413	1.4
69.07082	0.5
69.14539	1.8
69.14962	1.2
71.01345	0.7
71.04967	0.4
79.05487	10.8
81.03419	2.5
81.07053	15.3
82.52187	0.5
83.08624	0.4
91.05475	12.0
92.05776	0.5
93.07039	8.2
94.07324	0.5
95.04959	11.0
95.08599	12.2
98.46838	0.4
103.05453	3.3
105.04507	1.3
105.07020	34.1
106.06576	0.6
106.07343	0.9
106.30778	0.5
107.04953	2.0
107.08586	4.3
108.02084	1.2
108.05712	3.4
109.06508	14.6
109.07638	0.8
109.08430	0.4
109.10142	1.8
119.04936	1.1
121.02850	0.6
121.06497	1.4
122.07294	0.9
123.04426	1.8
123.08054	100.0
123.11642	2.3
124.07585	0.7
124.08393	2.3
133.02832	0.6
133.06482	9.8
133.07518	0.9
133.10106	3.6
134.05969	0.7
141.05444	0.6
151.02776	2.2
151.03894	6.3
151.05003	3.3
151.07530	17.6
151.08627	1.6
151.11186	7.1
151.12303	0.6
152.06995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.01867	3.0
55.05513	13.1
57.03423	10.9
57.07060	5.2
59.04993	2.9
59.16463	1.7
63.60376	1.6
65.03925	3.2
67.05501	37.4
69.03419	7.8
69.07058	9.9
70.93032	1.7
71.68089	1.5
72.25874	1.8
74.70602	1.9
79.05491	18.2
81.03407	5.6
81.07052	100.0
82.07407	2.4
83.04976	4.0
83.08578	2.0
86.48470	1.7
91.05469	12.3
93.07040	10.7
95.04970	12.1
95.08596	27.4
103.05460	1.8
105.07027	22.4
106.06553	2.2
107.04951	2.5
107.08590	13.9
109.06513	30.7
109.07646	2.0
109.10145	78.8
110.10474	2.1
111.84605	1.6
117.43703	1.7
121.06470	4.4
121.10132	6.3
123.04427	3.2
123.08064	41.2
123.09003	1.9
123.11697	37.4
131.08600	2.0
133.06485	2.2
133.10112	15.0
134.06073	2.1
136.08826	17.6
141.09088	2.4
142.70518	1.9
151.02818	3.4
151.03964	2.2
151.07516	13.9
151.08661	6.2
151.11172	94.2
152.07074	3.1
152.11525	3.1
155.40997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03944	2.6
54.29888	1.8
55.01867	7.7
55.05510	14.7
55.41415	1.9
57.03435	6.8
57.07088	2.5
65.03938	3.8
67.05501	68.6
69.03422	14.6
69.07050	7.1
71.04981	3.5
77.03921	2.3
79.05490	47.2
79.27867	2.0
81.07054	65.5
82.07413	2.2
83.04969	18.1
85.06531	2.1
91.05475	63.7
92.06358	2.2
93.07036	41.2
95.04968	26.3
95.08605	16.9
97.06510	2.5
98.22721	6.2
98.71251	1.9
105.04493	2.9
105.07024	86.4
105.07738	4.6
107.08588	97.3
109.06503	27.3
109.10138	39.2
123.08065	9.9
123.09309	2.0
123.11683	10.4
131.08568	3.3
133.10120	81.6
151.02820	4.5
151.05054	2.6
151.07515	4.1
151.08640	8.3
151.11172	100.0
152.07054	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	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02365	0.7
52.05850	0.6
53.03935	2.5
55.01868	2.2
55.05507	12.4
57.03435	4.0
57.07066	4.0
57.75407	0.5
59.05000	1.1
65.03943	3.0
67.05501	27.5
69.03421	7.9
69.07063	7.2
71.04988	11.2
77.03929	1.1
79.05489	26.7
80.04993	0.7
81.03418	2.2
81.07052	100.0
82.07397	2.5
83.04965	1.6
85.06525	0.9
91.05477	28.0
92.05844	0.6
93.07039	53.2
94.07367	1.6
95.04966	25.3
95.08598	14.9
97.06554	1.5
99.20889	0.6
103.05492	0.8
105.04540	2.0
105.07021	34.4
107.04952	1.3
107.08587	24.1
107.30783	0.6
108.02109	0.9
108.05732	3.4
109.06512	33.4
109.10146	17.0
119.06047	1.2
121.10117	3.0
122.07272	0.9
123.04405	1.1
123.08060	26.7
123.11694	29.6
131.08582	1.7
133.06485	2.0
133.10120	29.2
133.11162	1.1
136.08890	0.8
141.05461	0.8
151.02798	1.6
151.03897	5.4
151.05032	1.9
151.07587	6.9
151.11171	86.7
152.07031	1.2
152.11487	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.01863	1.5
55.05504	7.5
57.03434	26.1
57.07075	1.3
59.05001	2.0
62.34380	0.8
63.16665	0.9
65.03931	1.6
67.05502	17.5
69.03404	3.0
69.07047	2.6
79.05486	12.1
81.03387	1.6
81.07055	38.5
83.04971	3.9
91.05475	10.6
91.51988	0.9
93.07040	23.2
95.04968	7.7
95.08598	9.8
105.04476	1.8
105.07030	18.7
106.07307	1.1
106.77704	1.0
107.08591	8.8
109.06513	53.2
109.10162	7.5
110.06049	1.1
111.62111	0.9
121.06499	9.9
122.07376	1.0
123.08069	18.2
123.11713	4.5
131.08601	1.0
133.06459	1.3
133.10117	15.9
136.08836	11.7
151.02870	2.2
151.04016	1.2
151.07518	6.3
151.08647	3.2
151.11174	100.0
152.07068	1.7
152.11554	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03924	3.0
54.15924	0.9
55.01852	2.3
55.05504	11.7
57.03430	4.3
57.07056	4.0
59.03659	0.8
59.04988	1.9
59.72154	0.8
65.03938	5.5
67.05168	1.3
67.05500	21.6
69.03419	4.3
69.07059	10.1
70.25446	1.9
70.25809	1.9
71.04982	15.4
77.03905	1.8
79.05482	19.6
81.03411	1.2
81.07047	92.6
82.07364	1.4
83.04987	1.5
83.39542	1.0
85.06522	1.1
91.05472	27.4
93.07034	76.7
94.07346	2.2
95.04962	30.3
95.08591	17.5
97.06450	1.0
97.12840	0.8
103.05403	1.2
105.04513	2.3
105.07020	35.3
106.07304	0.9
107.08578	24.8
108.05717	1.3
109.06509	28.0
109.10139	16.1
115.05429	1.1
115.32287	0.8
117.07040	1.1
119.06051	1.3
121.10120	3.2
123.03310	1.1
123.04453	1.4
123.08060	16.8
123.11700	28.4
124.12045	1.1
131.08557	1.5
133.07509	1.0
133.10118	25.9
134.06003	1.5
136.08757	1.3
151.02884	1.4
151.03886	6.8
151.05026	3.5
151.07498	3.6
151.11165	100.0
152.11537	2.0
157.15196	0.9
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.41032	1.3
51.02374	1.3
53.03941	3.2
54.49091	1.2
55.05508	39.2
57.03427	2.8
57.07065	4.6
57.50634	1.2
59.04990	3.6
59.33451	1.3
63.05137	1.3
65.03932	1.9
67.05501	34.4
67.58691	1.3
69.03421	6.0
69.07063	12.1
70.98469	2.1
71.04978	10.7
73.60877	1.4
77.03927	2.4
79.05488	24.9
81.03408	3.1
81.07052	100.0
82.07381	2.0
83.04977	2.1
91.05476	25.1
93.07043	54.3
94.04222	1.8
94.07357	1.9
95.04959	28.7
95.08604	19.8
97.06522	5.3
103.60909	1.3
105.06346	2.8
105.07023	37.5
107.04944	1.6
107.08582	25.8
109.06513	34.2
109.10149	27.3
119.04922	2.2
121.10111	3.9
123.04351	2.9
123.08060	22.8
123.10798	2.0
123.11698	38.9
124.07586	1.8
133.06398	3.6
133.10112	23.0
151.02827	3.9
151.03935	4.3
151.04976	2.3
151.07536	10.9
151.08641	2.5
151.11172	80.8
152.07053	2.1
152.11519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.77564	0.9
53.03936	2.0
55.05308	0.7
55.05513	9.1
57.03424	3.3
57.07082	4.7
59.04992	1.5
59.54350	0.7
65.03935	2.9
67.05502	21.8
69.03432	5.9
69.07063	8.9
69.54813	3.4
71.04992	14.9
77.03918	2.3
77.11973	0.7
79.05489	17.5
81.03412	1.0
81.07054	86.0
82.07380	1.8
83.04965	1.1
91.05478	23.5
93.07041	74.7
94.07371	1.4
95.04967	29.6
95.08035	0.9
95.08609	14.1
97.06525	1.0
98.22620	1.1
105.04517	2.0
105.07027	35.0
106.07338	0.8
107.08589	23.8
108.02084	1.1
108.05721	1.1
109.06518	29.0
109.10153	16.6
121.10120	2.8
123.08064	10.5
123.11695	26.2
131.08557	2.4
133.06456	0.9
133.10124	28.2
136.08826	0.7
151.02866	1.3
151.03903	3.2
151.05037	2.6
151.07542	2.2
151.11176	100.0
152.07031	0.7
152.11534	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	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03939	2.1
55.01875	4.5
55.05506	15.2
57.03429	3.6
57.07060	1.5
59.04987	1.3
65.03926	2.7
66.71685	0.9
67.05501	25.2
67.93634	0.8
69.03426	100.0
69.07062	3.4
69.36864	3.6
71.04996	12.4
79.05489	17.4
80.05829	0.8
81.03425	1.6
81.07050	72.8
82.07349	1.1
83.04995	1.6
91.05478	18.7
93.07037	25.6
94.04163	1.1
95.04964	22.2
95.08590	11.4
96.05756	5.9
96.48542	0.9
97.06543	5.1
105.04540	1.3
105.06349	0.6
105.07019	22.7
107.04951	1.8
107.08588	23.3
108.08886	1.0
109.06512	43.6
109.10150	13.3
119.06084	1.0
121.10158	1.5
123.08068	11.6
123.11698	9.3
131.08626	0.9
133.10132	11.3
151.08662	2.2
151.11169	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
53.75056	0.3
55.02983	0.4
65.03923	0.5
66.26353	0.3
67.05504	0.4
67.43807	0.3
68.05004	0.6
69.03432	1.8
79.05493	1.5
80.02491	0.6
80.05001	0.4
81.03401	0.3
81.07061	0.9
82.04056	0.5
82.06519	0.4
83.04990	0.4
84.04498	0.5
89.19025	0.3
91.75519	0.3
92.05000	0.5
94.06573	0.7
96.04496	1.7
96.08115	3.3
103.02473	0.6
106.06560	0.9
107.03584	0.7
107.04945	0.7
108.08134	0.6
109.05130	2.4
110.03520	13.6
110.06033	1.4
116.29107	0.3
121.03438	0.3
124.03967	0.6
124.07603	7.9
124.08430	1.7
125.07117	0.4
128.04549	5.7
128.05429	0.5
129.00337	0.4
134.04601	1.6
134.05998	0.8
135.03015	21.4
136.01436	0.9
147.01399	1.6
147.03122	0.6
147.05060	0.5
152.05681	100.0
152.07021	13.0
153.04068	36.9
153.06770	1.6
153.10207	0.3
154.02487	0.8
170.03050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Paracetamol
Peak:m/z	Relative Intensity
51.89962	0.1
55.01858	0.2
56.05009	0.2
56.96548	0.6
57.03420	0.6
59.04992	0.2
65.03931	0.8
66.59317	0.2
67.05492	0.5
69.03417	0.3
70.99843	0.2
71.26312	0.2
77.00915	0.2
79.05475	0.3
81.03423	0.2
81.79505	0.1
82.34259	0.1
85.02885	0.3
91.02436	0.1
92.05003	5.5
93.05246	0.2
93.05779	2.4
94.06559	0.5
96.04504	0.2
97.02887	0.4
100.02483	0.2
101.00868	0.4
106.06558	0.3
107.07346	0.3
108.08119	1.2
109.05236	0.4
110.03528	0.7
110.06044	7.7
110.97558	0.2
111.06306	0.1
115.02425	0.7
117.04019	0.2
119.01894	0.9
122.06042	2.5
123.06808	0.6
124.03932	0.2
124.07577	0.2
125.04721	0.5
128.98630	0.2
129.03966	0.4
133.03452	0.8
134.06017	0.9
135.03033	0.9
135.05055	0.3
138.05490	0.9
140.05006	0.3
143.01947	0.3
147.04958	0.2
152.07059	100.0
153.04077	1.1
153.07433	2.3
154.04924	0.2
159.05084	0.2
161.02951	0.2
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
53.03938	1.1
55.01878	1.2
55.05508	3.2
57.03422	0.8
59.05000	0.6
60.33094	0.4
61.70446	0.4
65.03941	3.5
67.02976	0.4
67.05500	12.7
68.96326	0.5
69.03422	1.5
69.07063	3.3
69.42760	0.4
70.06576	0.4
70.95834	0.6
71.44173	0.5
71.95243	0.4
77.03935	1.0
79.05488	52.5
80.05824	1.1
81.03429	0.9
81.07053	46.2
82.04165	0.5
82.07384	0.5
83.04980	2.8
83.08610	0.6
91.05478	9.7
93.03393	0.7
93.07037	7.6
95.04953	5.4
95.08588	2.3
97.06525	20.2
98.06863	0.6
105.04531	1.1
105.07028	5.0
107.04952	9.3
107.08586	60.0
108.05740	0.5
108.08227	0.4
108.08941	1.4
109.06522	5.5
109.10157	7.6
111.04445	2.9
111.08054	2.4
111.12773	0.4
119.06057	2.6
123.08065	1.7
125.05984	100.0
125.09629	9.7
126.05482	0.6
126.06266	2.2
135.04420	0.6
135.08047	19.9
135.11758	0.7
136.08392	0.6
139.04033	0.5
148.97350	1.2
153.01797	0.7
153.05457	1.8
153.06609	1.3
153.09102	33.1
153.12727	1.0
154.04993	0.9
154.09560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.22834	0.7
53.03946	1.6
55.01870	24.4
55.05507	13.9
55.05701	0.3
55.63190	0.6
57.03426	1.2
57.07073	7.8
65.03943	3.0
67.05502	26.1
68.96332	2.1
69.03426	36.1
69.07061	1.8
69.33875	1.4
69.34263	1.7
70.06588	1.0
70.94260	1.8
70.95852	1.7
71.01347	1.5
71.04992	3.1
71.21404	0.6
71.95235	0.8
73.02920	1.1
73.51788	0.6
77.03912	0.8
78.93511	0.5
79.05489	33.6
80.05785	0.8
80.29060	0.6
81.03448	0.9
81.07052	8.4
83.04976	13.4
83.08621	0.7
85.02895	1.4
85.06538	100.0
86.06886	1.6
87.04467	1.5
91.05476	11.0
93.03400	1.4
93.07042	8.5
95.04958	7.5
95.08610	1.3
97.02257	1.3
97.02885	24.5
97.03486	1.4
97.06536	5.1
97.10181	0.7
98.22715	1.2
101.84804	0.6
105.04519	1.6
105.07024	3.7
107.04950	16.6
107.06053	1.3
107.08589	21.3
108.04472	1.4
109.06516	6.8
109.10164	1.2
110.03712	1.1
111.04435	5.6
111.08084	3.0
115.05423	1.0
117.07020	4.3
119.06030	0.7
123.04411	1.4
123.08035	0.7
125.05999	3.9
125.06990	0.9
125.09614	10.4
126.05533	1.0
130.96292	1.3
135.04419	4.1
135.08044	20.7
136.03966	1.0
136.07571	2.8
137.02313	0.6
148.97360	4.9
152.29245	0.6
153.05460	6.6
153.06589	6.0
153.07797	0.7
153.09099	20.3
153.10225	1.7
153.12614	0.9
154.05002	2.1
154.09743	1.7
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
53.03944	1.9
53.93640	0.4
55.01861	0.9
55.05513	9.6
57.03433	1.2
65.03943	2.6
67.05500	8.4
68.96344	0.8
69.03427	1.5
69.07070	9.1
70.47568	0.7
70.94257	0.6
70.95869	0.6
71.04991	2.2
73.06565	0.5
77.03938	1.1
79.05491	22.3
80.04996	0.5
80.40350	0.5
81.07054	100.0
82.07395	2.3
83.04968	3.5
83.08624	1.3
88.83305	0.5
91.05477	14.3
93.07043	65.9
94.07397	1.6
95.04964	13.3
95.08609	4.8
97.06536	4.8
105.04519	2.1
105.07027	4.9
107.04939	1.7
107.08591	32.3
108.08921	0.9
109.06519	37.8
109.10149	5.0
110.03612	0.5
110.06895	0.9
111.04448	2.1
111.08082	5.8
111.41525	0.5
112.03939	0.7
115.05473	0.6
117.07014	1.2
119.06084	1.8
120.05721	0.6
125.05978	4.0
125.09636	1.7
126.05509	1.0
126.06432	0.5
130.96262	0.6
135.04501	0.5
135.08052	9.7
135.11682	2.9
148.97346	1.2
149.41673	0.5
153.01884	0.5
153.05435	1.3
153.06599	1.2
153.09096	4.7
153.11089	0.6
153.11487	0.6
153.12753	5.7
153.13901	0.9
154.04987	0.9
154.09726	0.8
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	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	2.8
55.05507	15.9
57.03434	4.0
59.04993	0.6
63.25309	0.4
64.63450	0.5
65.03931	4.5
67.05503	8.3
67.84267	0.5
68.96325	0.5
69.03431	5.3
69.07066	5.1
69.76311	1.8
69.76660	0.6
70.94247	0.8
71.04993	0.9
79.05485	33.7
81.03436	0.5
81.07050	24.9
82.07375	0.6
83.01340	0.6
83.04478	0.8
83.04973	11.3
83.08619	1.9
85.06537	2.1
91.05473	19.9
93.03392	1.9
93.07038	8.9
95.04955	3.9
95.08595	11.3
96.05755	1.0
97.02887	2.0
97.06522	20.2
97.10168	1.3
98.06884	0.6
105.04517	1.2
105.07014	11.5
107.04949	5.0
107.08583	50.7
108.08921	1.2
109.06509	13.9
109.10124	0.5
109.75735	0.5
110.03631	0.7
111.04427	3.8
111.08067	1.7
115.05375	1.2
117.06295	0.5
117.06961	3.0
119.06045	4.0
123.04453	0.7
123.08031	1.6
125.05983	20.6
125.09619	100.0
126.06346	0.7
126.09949	2.9
135.04366	1.6
135.08041	33.7
136.08411	1.0
148.97359	1.0
153.05463	2.4
153.06564	2.5
153.09093	59.5
154.04977	0.6
154.09520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1022
Annotation	2814-20-2
Peak:m/z	Relative Intensity
54.53022	0.5
55.05501	1.1
67.02977	0.7
67.05483	0.7
69.07069	1.1
69.97659	1.8
70.06605	0.9
70.95862	1.1
71.95258	9.0
79.05478	1.3
81.04525	1.2
82.05310	0.6
82.06577	1.5
83.04976	2.2
83.06097	29.6
84.04502	0.7
84.08112	0.6
88.96872	0.6
93.07027	1.3
94.06580	3.6
95.04937	0.8
95.06074	1.0
96.04456	0.5
96.08087	0.8
97.06563	0.6
97.07674	2.8
99.05576	1.2
107.08578	1.0
108.04452	0.7
108.06808	1.0
108.08103	0.6
109.07619	1.3
110.08421	2.2
111.05564	1.5
111.08106	0.7
111.56547	0.5
119.06077	0.8
123.05544	13.8
125.10735	3.8
125.75142	0.5
136.03917	0.8
137.07097	0.8
138.07872	40.3
139.08220	0.6
141.35316	0.6
153.06621	2.4
153.10217	100.0
154.04994	1.0
154.09709	1.7
154.10722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03932	1.2
55.01864	1.8
55.05505	7.8
57.03439	4.8
57.07069	2.1
59.05016	1.6
65.03931	1.7
67.05506	31.5
69.03416	1.7
69.07067	46.8
70.06598	1.3
70.95596	0.7
70.95872	0.9
71.04996	1.7
71.95261	9.5
75.39595	0.9
79.05489	24.6
80.44065	0.7
81.07055	33.8
83.04974	3.2
83.08622	5.9
84.04515	0.9
85.06533	1.6
88.96895	1.0
91.05497	4.0
93.07041	40.9
94.07380	0.9
94.30872	0.8
95.04987	2.2
95.08601	15.6
97.06532	15.1
98.22524	0.8
105.07034	0.9
107.08591	45.1
108.04458	1.4
109.06509	1.2
109.10157	33.1
110.03660	1.3
111.08086	5.0
111.11732	0.8
125.06017	0.8
126.05503	1.3
126.06317	1.7
135.11688	100.0
136.03912	1.3
136.12007	2.6
138.03091	0.9
153.05452	2.8
153.07590	5.0
153.10194	2.5
153.12738	81.1
154.04977	1.7
154.09743	2.3
154.13086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	1.6
55.05503	5.9
57.03421	2.4
57.07074	2.0
59.04990	2.4
65.03941	2.0
67.05498	14.4
69.03410	1.9
69.07069	14.7
71.04984	3.0
71.43439	0.8
71.95269	0.7
73.06544	0.9
75.04485	1.6
77.03906	1.1
79.05493	17.3
81.07052	19.0
82.04887	0.7
82.07417	0.8
83.04968	8.9
83.08614	3.3
91.05479	12.5
93.07043	71.1
95.04978	4.4
95.08602	58.7
95.09506	1.2
96.08924	1.1
97.02895	0.8
97.06532	15.9
105.04503	0.9
105.07033	3.2
107.04940	1.5
107.08590	100.0
108.08916	2.9
109.06506	3.3
109.10150	19.3
111.04426	0.8
111.08076	3.3
117.41613	0.8
118.95527	0.7
119.06062	2.0
121.06494	1.7
125.05999	5.2
125.06796	0.7
125.09666	1.3
132.66750	0.7
135.08075	1.6
135.11690	38.4
136.04012	1.1
136.12080	0.9
153.01871	1.4
153.05458	1.2
153.06609	1.0
153.09120	4.3
153.10240	1.4
153.12735	21.0
154.04890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(R)-(+)-Pulegone
Peak:m/z	Relative Intensity
52.70777	1.4
53.03941	6.4
55.01881	7.3
55.05510	87.4
57.03428	4.3
57.07069	4.6
59.04986	6.5
65.03928	6.2
67.05503	23.4
69.03423	5.3
69.07067	61.2
70.70074	2.8
71.04992	26.8
73.06550	13.5
74.55444	1.5
79.05489	51.0
80.05807	1.5
81.03412	4.2
81.07053	100.0
82.07383	2.9
83.04983	18.2
83.08616	13.1
85.06544	2.4
91.05473	33.4
93.03405	2.1
93.07041	69.3
94.07382	1.8
95.04970	14.7
95.08601	21.2
97.06527	37.1
105.07034	16.2
107.04955	9.3
107.08589	81.4
108.04471	2.0
108.08925	1.6
109.06517	10.1
109.10148	31.8
110.03640	1.7
111.04443	6.3
111.08078	11.7
111.11752	1.6
115.05445	5.5
117.06993	9.6
119.06071	3.8
119.08549	2.5
123.08088	2.4
123.11739	2.1
125.05983	6.2
125.09632	3.2
126.05467	1.7
133.06493	1.7
135.04401	2.0
135.08044	15.1
135.10765	2.5
135.11694	31.5
148.97458	1.9
153.05481	4.5
153.06612	2.5
153.09085	4.7
153.12740	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.01858	1.8
55.05510	12.5
57.03441	2.7
57.07063	2.9
57.97313	1.3
59.04996	6.6
61.04744	1.3
65.03941	4.1
66.74195	1.2
67.05500	19.9
69.03413	5.2
69.06725	1.8
69.07065	18.1
69.63499	5.1
71.04981	7.4
73.06543	3.1
79.05489	21.4
81.07053	31.6
83.04968	16.8
83.08603	5.5
91.05473	11.8
93.07035	80.6
93.48061	1.6
95.04942	6.6
95.08597	57.8
95.09215	2.9
96.37955	1.3
97.06525	41.7
105.07021	5.1
107.08584	100.0
108.08884	2.3
109.06532	3.3
109.10147	37.3
111.04433	18.8
111.08060	5.5
119.06033	1.6
119.08565	1.6
121.02874	10.0
135.08104	2.0
135.11681	54.8
153.05420	4.2
153.06609	2.1
153.09111	3.3
153.12727	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01873	6.0
55.05507	12.3
57.03422	2.3
57.07072	5.3
59.04991	0.7
60.43755	0.6
65.03933	1.9
67.05497	100.0
68.05835	1.3
69.03423	7.6
69.07066	9.5
69.96175	1.2
70.02998	0.6
70.61755	1.2
70.95853	6.0
71.04983	7.0
71.08611	1.0
72.04514	0.8
72.05311	0.8
72.93783	8.1
73.02905	5.6
79.05479	3.8
79.11290	0.7
81.03413	13.0
81.07045	18.3
83.04970	6.7
83.08605	0.7
84.04487	1.1
85.02897	2.1
85.04823	1.4
85.06538	1.5
86.06046	0.9
87.08090	1.0
88.85490	0.6
88.96918	1.6
90.94814	1.0
91.05460	6.1
93.07044	5.7
95.04961	15.8
95.05534	1.2
95.08593	16.7
97.02825	0.7
98.98467	7.0
99.04445	5.6
100.03983	1.2
107.08579	2.8
109.06503	3.0
109.10143	73.8
110.07145	0.9
110.10487	1.7
111.04425	3.8
111.08060	6.8
111.98512	1.4
113.05985	4.9
113.96401	2.5
119.08571	2.3
123.04436	0.7
127.07545	2.1
129.05438	1.0
129.99530	1.1
131.96153	2.9
131.97470	1.4
132.95822	6.0
137.05984	0.9
137.07016	0.7
137.09593	7.2
140.04683	0.9
149.97202	4.2
150.00839	0.6
150.96857	9.3
155.07042	8.0
155.08328	1.6
155.10690	2.5
155.97438	0.8
156.13850	1.5
157.88220	0.7
173.98558	0.6
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
53.69765	0.5
55.01873	4.8
55.05260	0.6
55.05511	9.1
57.03426	1.4
65.03940	1.2
67.05502	48.1
68.05857	0.5
69.03424	2.6
69.07052	1.9
70.95867	5.1
71.04982	2.1
72.93791	6.7
73.02952	0.5
76.59386	0.4
78.81280	0.4
79.05489	2.1
81.03412	0.8
81.07056	13.1
83.04964	3.8
83.08607	0.4
85.06529	1.6
88.96896	1.1
90.94809	1.6
91.05472	2.9
93.07038	5.4
95.04964	8.7
95.06000	0.7
95.08022	1.0
95.08603	15.6
98.22720	1.9
98.98469	4.0
99.04438	1.6
107.08574	4.0
109.06506	8.6
109.10150	100.0
110.06082	0.4
110.10477	2.7
111.04434	2.8
111.08064	7.1
111.98475	1.2
113.06001	4.9
113.96389	1.7
117.07129	0.6
119.06047	0.7
119.08601	2.8
127.07555	1.6
129.99507	0.7
131.96175	0.5
131.97427	0.8
132.95839	5.9
137.09605	48.6
138.09953	1.1
139.16011	0.5
149.97203	1.1
150.96889	8.3
155.07024	5.7
155.08432	1.5
155.10641	4.0
169.51636	0.5
172.63535	0.5
172.92520	0.6
173.98505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03945	5.5
55.01868	6.9
55.05507	11.4
57.03429	3.1
57.07071	2.5
65.03934	3.0
66.83954	0.7
67.05500	100.0
68.05831	1.4
69.03428	6.9
69.07066	9.5
70.06593	0.9
70.95868	5.0
71.01340	1.1
71.04983	6.8
72.93787	7.5
73.02905	4.9
79.05489	8.3
81.03413	12.3
81.07053	27.2
83.04974	7.2
84.04492	1.3
85.02895	2.0
85.04831	1.5
85.06564	1.9
87.08083	1.2
88.96906	1.5
90.94822	1.2
91.05479	13.2
93.07043	7.7
95.04967	20.5
95.08598	18.1
98.06078	1.3
98.98461	7.9
99.04438	4.9
99.06419	1.1
107.08598	2.9
109.06509	7.3
109.10148	65.3
110.10487	1.5
111.04432	4.4
111.08076	7.0
111.98474	2.3
113.05988	4.9
113.96381	2.8
119.04910	1.6
119.08573	3.1
127.07566	1.6
129.99590	1.1
131.96126	2.1
131.97435	1.5
132.95854	5.1
137.05959	2.7
137.07007	1.1
137.09607	8.4
140.04660	1.5
149.97205	3.7
150.96898	11.4
155.07034	9.8
155.08183	1.3
155.10645	2.9
155.12616	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03943	5.8
55.01868	3.5
55.05507	9.6
56.30046	0.4
57.03428	2.7
57.07068	4.3
59.04995	1.1
65.03928	2.5
67.05498	100.0
68.05836	1.3
69.03419	5.6
69.07062	11.1
70.95852	0.9
71.04991	5.9
71.23586	0.5
72.93768	0.7
73.02914	5.6
79.05482	4.1
81.03410	17.0
81.07050	17.3
83.04972	2.8
83.08619	1.1
85.06553	0.9
87.08088	0.9
91.05476	4.5
93.07037	5.8
95.04961	15.3
95.08598	14.4
99.04436	5.3
99.08079	0.5
107.08597	3.3
109.06440	2.2
109.10146	80.4
110.10500	1.5
111.04428	0.5
113.05988	1.4
119.08543	3.0
119.38728	0.4
132.95860	1.2
137.09605	8.2
137.85760	0.4
150.96846	1.1
155.07080	1.1
155.08391	0.8
155.10680	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03945	3.9
55.01872	6.0
55.05255	0.7
55.05508	10.1
57.03439	3.8
57.07069	3.5
58.07385	0.3
59.05003	1.0
65.03928	2.7
67.05502	100.0
68.05836	1.3
69.03427	6.7
69.07066	8.6
70.95861	1.0
71.04989	8.8
71.05354	0.7
71.08621	0.7
71.23383	0.6
72.04521	0.4
72.93777	1.3
73.02908	4.6
79.05494	3.4
79.69717	0.4
81.03415	14.0
81.07053	17.7
83.04980	2.1
83.08617	0.9
85.02906	1.6
85.06542	1.7
87.04462	0.4
87.08103	1.4
91.05480	5.7
91.68453	0.3
93.07042	6.2
95.04965	13.9
95.08598	17.7
97.06505	0.7
98.98468	0.5
99.04449	3.9
105.04478	0.4
107.08582	3.9
109.06521	2.4
109.10149	70.5
110.10484	1.4
111.04463	0.5
111.08075	10.4
113.06007	1.6
119.08569	2.9
127.07529	0.5
132.95833	1.3
137.09616	9.8
150.96884	2.0
155.07043	1.3
155.10640	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03946	4.7
55.01869	6.2
55.05507	11.7
55.39728	0.8
57.03430	3.1
57.07075	4.0
59.05004	0.8
65.03947	2.6
67.05502	100.0
68.05847	1.2
69.03432	4.9
69.07068	7.9
70.95859	2.9
71.04995	9.9
71.23543	0.9
72.93800	2.5
73.02912	4.6
73.51792	0.8
75.93195	0.8
79.05512	4.7
81.03412	12.4
81.07052	18.3
82.73399	0.7
83.04974	2.3
83.08589	0.8
85.02905	2.1
85.06525	1.1
86.61307	0.7
89.10923	0.8
90.57947	0.8
91.05478	5.3
93.07042	6.1
95.04965	13.3
95.08604	16.0
98.98465	1.7
99.04436	4.7
105.77584	0.8
107.08581	3.4
109.06506	2.5
109.10150	65.7
110.10487	1.9
111.04444	0.9
111.08084	12.5
113.06010	1.3
119.08591	3.5
132.95807	2.4
137.09607	10.5
150.96857	3.8
155.07037	3.3
155.08171	0.8
155.10677	3.6
168.83990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.076
Annotation	alpha,beta-Dipyridyl
Peak:m/z	Relative Intensity
56.96566	1.7
57.07066	0.4
57.93549	0.6
66.37207	0.3
69.28275	1.8
70.06578	0.6
72.93779	0.4
74.10958	0.3
74.35020	0.3
74.93158	0.5
79.49864	0.3
83.35357	0.4
84.04478	0.4
85.02872	0.4
89.03896	0.5
95.04988	0.5
98.23476	0.7
98.97576	8.6
102.09168	0.6
103.05455	2.7
112.07574	0.7
115.66625	0.3
116.97272	2.4
116.98611	7.7
117.03305	0.5
117.05753	13.0
117.06590	0.6
121.07567	0.3
128.04958	0.8
129.06981	0.9
130.06517	100.0
131.06847	2.5
131.99516	0.4
134.99644	5.1
140.00192	0.4
140.04944	1.2
141.06953	0.5
142.05177	0.6
142.07751	4.3
148.07602	1.1
150.96936	0.6
151.97145	0.6
152.96873	1.0
153.00682	0.6
155.05991	0.4
156.06816	3.2
157.07599	81.5
157.10144	2.8
158.06029	0.5
158.08047	2.3
158.09663	1.6
158.11722	0.6
158.15382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1223
Annotation	S-HNE
Peak:m/z	Relative Intensity
55.05513	1.9
56.96560	2.1
57.03433	100.0
57.07072	2.1
57.93562	1.5
58.03758	1.1
59.05003	10.6
66.15124	0.9
67.05489	5.3
69.03396	1.1
69.07063	4.5
70.71814	2.1
79.05493	10.4
81.06565	2.0
81.07050	40.4
85.06537	1.9
91.05477	2.1
93.07041	26.8
95.04929	1.2
95.08611	6.9
97.06541	2.5
98.97581	18.6
102.09163	2.8
109.10148	24.8
116.97196	3.1
116.98588	10.3
121.10136	33.9
127.11188	22.6
134.99637	4.9
139.11165	15.2
142.07796	6.2
152.96846	1.2
157.10112	3.7
158.09628	2.1
158.15398	4.5
158.17482	1.1
175.34935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1224
Annotation	60046-50-6
Peak:m/z	Relative Intensity
50.54087	1.2
53.03944	2.6
55.01875	5.9
55.05509	74.8
56.96566	8.9
57.03440	8.1
57.06865	1.1
57.07078	12.4
57.93565	3.0
59.05009	6.2
60.06401	1.0
61.82227	1.1
67.05502	17.9
69.03428	8.4
69.07065	100.0
69.63405	4.3
70.07406	1.3
70.95842	1.2
71.04988	5.1
71.08626	17.4
71.57558	1.0
73.06577	6.0
74.93161	9.1
75.94584	2.0
79.05489	32.1
80.59090	1.1
81.07056	16.8
83.04978	75.0
83.08611	3.7
83.43922	1.0
87.04472	3.2
91.05479	4.6
93.06451	2.4
93.07040	38.6
94.07394	1.4
95.04965	2.6
95.08022	2.2
95.08600	29.4
97.06526	24.7
97.10163	25.8
98.23382	1.5
98.97578	37.5
99.08083	6.4
102.09193	6.5
105.07069	1.5
111.11716	1.7
112.07616	2.8
116.97276	10.6
116.98613	34.7
121.10139	13.1
128.06216	1.3
129.07036	5.7
130.06474	1.2
131.25192	1.1
134.99654	23.4
139.11171	27.0
140.00153	1.4
141.06966	1.1
142.07753	14.4
152.96890	3.3
153.00667	3.4
157.07603	2.0
157.10182	9.5
157.12210	10.4
158.01236	1.3
158.09630	6.8
158.15413	7.2
170.80666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93534	0.3
55.01858	0.3
55.05513	0.3
56.05034	11.9
56.96563	2.2
57.07072	16.0
57.93559	0.8
58.07429	0.3
59.26705	0.3
64.38777	0.2
69.03424	0.4
69.07092	0.3
70.06583	0.9
70.95855	0.6
71.95925	0.4
72.93778	0.2
74.09713	42.9
74.93836	0.5
83.06100	1.2
84.04498	100.0
84.08156	0.3
85.02893	0.6
85.04831	1.2
86.06051	0.3
97.06525	0.4
98.97576	10.9
102.09153	0.5
102.50042	0.3
111.04430	0.4
112.07603	1.0
112.11221	0.6
116.97249	3.9
116.98608	9.3
118.94681	0.3
129.07014	0.3
132.95799	0.3
133.96048	0.5
134.99646	7.0
139.12254	0.7
140.07042	0.3
140.10655	1.3
150.96878	0.9
151.97025	1.4
152.96901	0.8
153.00710	1.1
157.04950	0.9
157.06253	0.3
157.07608	0.8
157.13339	2.7
158.09604	0.9
158.11736	2.4
158.15427	0.3
170.97928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
56.96561	2.2
57.03434	8.4
57.07072	24.9
57.93556	0.6
58.07424	0.4
66.03539	0.4
73.13503	0.4
74.09713	100.0
75.10040	0.8
80.15559	0.4
80.30874	0.4
84.04499	9.0
85.02898	88.7
86.03242	0.7
98.97578	16.3
102.05514	1.3
102.09174	0.4
112.07620	0.6
112.11188	0.6
116.97317	2.1
116.98617	9.7
118.56172	0.4
126.78078	0.5
130.06490	0.6
134.16502	0.4
134.99617	3.4
140.10664	0.9
143.08583	0.9
149.95966	0.4
152.96869	0.5
153.00565	0.5
158.09613	1.2
158.11755	20.1
158.15376	0.8
159.12003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
56.05025	1.3
56.96564	0.9
57.03436	10.6
57.07072	27.6
69.67580	0.5
69.78112	1.1
69.78504	1.0
74.09713	95.6
74.58988	0.5
75.10054	0.5
82.10789	0.6
84.04497	12.0
85.02899	100.0
86.03241	1.0
89.03949	0.5
98.97579	7.2
102.05540	3.8
103.05434	0.5
113.61207	0.5
116.97188	1.0
116.98600	4.2
118.61929	0.5
134.99643	1.3
140.10663	0.8
144.32870	0.5
158.11754	53.3
159.12085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41739	0.1
55.05497	0.2
56.05037	0.2
58.06594	3.5
58.60754	0.1
62.79149	0.1
67.05493	0.4
68.08707	0.1
69.07053	0.3
69.09267	0.2
69.71796	0.6
70.06582	0.4
71.04982	0.2
71.07365	0.3
72.04503	0.9
72.08125	0.3
73.06567	0.2
84.08151	1.3
87.04435	0.2
95.04958	0.5
98.06005	0.1
98.09702	1.3
98.97589	0.3
102.05524	0.9
112.11224	1.1
116.07072	0.3
136.56416	0.2
140.10709	0.5
150.43082	0.1
158.11754	100.0
159.12117	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	158.1177
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
56.96559	0.3
58.06599	5.4
59.10118	0.2
67.05502	0.3
69.07053	0.4
70.72662	0.3
70.72992	0.2
71.04978	0.3
72.04510	0.7
72.08155	0.3
73.06550	0.2
84.08148	2.8
90.75503	0.2
95.04965	0.7
98.09689	1.6
98.97578	2.5
102.05538	0.8
103.44707	0.2
110.86821	0.2
112.11256	1.1
116.07094	0.5
116.98611	1.3
120.76805	0.2
134.99648	0.4
140.10728	0.6
158.11758	100.0
159.12120	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23012	0.6
55.05511	1.8
56.05056	0.9
56.96565	10.1
57.04558	2.0
57.07059	1.8
57.93578	3.3
58.06599	12.4
59.19262	0.7
63.78438	0.7
65.96680	0.6
67.05499	0.8
68.05012	1.4
70.06590	34.4
70.72272	0.9
71.01347	1.4
71.04990	86.7
71.06109	45.3
72.05330	1.1
72.08144	3.5
75.94600	1.0
78.29712	0.8
84.04504	2.7
84.08134	7.4
86.70794	0.7
88.07630	14.5
88.08750	19.1
94.22071	0.6
98.07180	1.2
98.09717	2.0
98.97576	55.6
101.00864	1.4
102.09180	2.8
103.00593	0.8
112.07593	3.6
112.08727	1.9
112.11214	0.8
116.01956	1.2
116.07113	2.1
116.97278	11.3
116.98608	36.2
117.99053	0.7
119.01909	5.2
121.01691	2.5
122.07159	0.7
127.08679	2.1
131.99492	0.8
134.02972	4.7
134.04837	2.4
134.95934	1.5
134.99652	14.7
135.03139	1.7
137.02948	1.0
137.71954	0.7
139.02661	1.2
140.07088	0.7
143.01920	1.0
149.03569	0.8
152.04181	0.9
152.05873	1.0
152.96957	4.1
153.00719	2.0
153.04333	1.0
158.01184	1.0
158.09486	4.9
158.11766	100.0
158.12918	74.7
158.15308	8.5
159.12149	1.9
159.13281	1.6
170.97940	0.9
176.05930	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96563	8.8
65.15394	0.5
67.30690	0.6
69.77186	1.1
69.77569	1.3
71.95264	0.7
78.26785	0.5
86.09658	0.6
91.05462	0.9
98.09679	2.2
98.22678	0.6
98.97578	30.9
99.97907	1.9
105.07033	1.3
114.09138	0.6
115.05449	19.9
116.04933	1.2
116.98612	22.2
117.05748	15.9
117.98959	0.6
118.06545	2.5
118.96764	1.2
130.06522	24.7
131.06891	2.1
132.08081	100.0
133.08434	2.7
134.99638	9.8
136.00049	1.1
140.04959	0.7
142.05402	1.2
142.06514	24.1
143.07291	1.3
149.75883	0.6
153.00761	0.8
158.08420	0.8
159.09169	83.5
159.11931	2.8
160.07571	15.3
160.09607	9.3
177.31395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
59.08263	0.3
60.70338	0.4
61.58833	0.4
65.03948	0.6
67.05500	2.9
69.37539	1.4
69.37943	0.9
76.92937	0.4
79.05497	1.4
81.07052	1.3
91.05479	16.7
93.07034	0.8
95.04980	0.5
98.22651	0.5
98.97578	1.5
103.05463	0.7
105.07025	19.1
115.05461	5.0
116.06236	2.3
116.98626	0.7
117.07016	30.2
118.96759	0.7
119.08573	10.1
125.86391	0.4
128.06213	1.1
129.06999	18.3
130.07790	18.6
131.08563	76.3
131.15746	0.4
132.08902	1.8
132.99091	0.4
134.99673	0.6
142.07767	1.7
143.08539	1.7
144.09337	20.7
145.09688	0.6
157.10124	4.8
159.11687	100.0
160.12053	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96557	1.4
57.33458	0.8
61.70545	0.6
67.05494	1.8
70.67594	1.7
76.92873	6.5
76.93271	1.2
79.05515	0.7
84.29558	0.6
90.28254	0.9
91.05486	5.7
98.97588	3.1
99.97937	1.2
103.05411	0.7
105.07026	14.2
115.05438	1.7
116.06233	1.2
116.98637	3.7
117.07028	13.4
117.98978	0.9
118.96752	2.1
119.08582	12.4
128.06239	1.7
129.06999	13.6
130.07814	4.0
131.08572	22.8
131.11806	1.3
134.99657	2.2
135.99989	1.2
142.07750	0.8
143.08632	1.1
144.09346	27.2
154.96507	1.0
157.10136	3.7
159.08028	2.9
159.11688	100.0
160.12036	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03946	0.6
67.05503	3.1
70.80985	0.9
79.05493	2.8
81.07037	3.0
91.05476	17.1
93.07032	1.2
103.05481	0.9
105.07027	17.1
105.92210	0.6
115.05445	4.5
116.06221	1.6
116.98648	0.9
117.07016	48.4
118.07885	0.9
119.08589	5.4
126.15785	0.7
128.06197	1.9
129.07002	9.5
130.07785	13.9
131.08563	85.2
132.08899	1.5
142.07788	0.8
143.08534	0.9
144.09349	11.0
157.10100	2.3
159.08058	2.3
159.11688	100.0
160.12018	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.4
57.33458	0.8
61.70545	0.6
67.05494	1.8
70.67594	1.7
76.92873	6.5
76.93271	1.2
79.05515	0.7
84.29558	0.6
90.28254	0.9
91.05486	5.7
98.97588	3.1
99.97937	1.2
103.05411	0.7
105.07026	14.2
115.05438	1.7
116.06233	1.2
116.98637	3.7
117.07028	13.4
117.98978	0.9
118.96752	2.1
119.08582	12.4
128.06239	1.7
129.06999	13.6
130.07814	4.0
131.08572	22.8
131.11806	1.3
134.99657	2.2
135.99989	1.2
142.07750	0.8
143.08632	1.1
144.09346	27.2
154.96507	1.0
157.10136	3.7
159.08028	2.9
159.11688	100.0
160.12036	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	159.138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24692	0.4
55.05507	1.8
56.96558	1.3
57.07088	1.0
63.11549	0.4
67.05494	4.8
69.07051	0.8
71.04990	35.7
71.08625	51.6
79.05498	0.7
80.09593	0.5
81.07056	13.1
85.06535	1.6
87.00842	0.7
90.04288	0.6
91.05474	14.1
95.08588	1.2
98.09717	0.6
98.97585	3.0
99.08090	27.2
99.97914	0.7
103.05470	3.2
105.07017	2.1
115.05444	4.4
116.06238	7.7
116.98605	2.5
117.01833	0.4
117.07035	2.8
117.98981	0.6
118.96745	0.8
119.08603	1.2
123.11716	1.2
128.06183	0.6
129.06989	4.8
130.07764	0.7
131.04898	1.6
131.08562	7.7
132.08090	0.7
133.06467	0.6
134.93668	0.4
134.99660	1.7
136.00038	0.5
141.07045	0.9
141.12733	48.3
142.07787	0.4
142.13077	1.0
144.05692	10.1
144.09370	3.0
154.96512	1.1
157.09995	0.5
158.07272	0.6
159.08040	100.0
159.11642	9.5
160.08363	3.8
160.09676	2.4
160.12073	0.7
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
56.05040	0.2
57.03437	0.2
58.02946	0.2
58.99850	0.2
59.33845	0.1
59.93103	0.7
67.34448	0.2
69.98989	0.5
72.07716	0.2
77.94153	0.2
82.01462	0.2
82.99817	1.6
83.02229	0.2
85.84003	0.1
95.95167	0.2
99.23790	0.2
100.02482	1.8
101.00872	21.6
102.00929	0.3
105.07096	0.2
114.05544	0.1
117.07010	0.2
118.03519	5.0
118.96754	2.1
119.01911	100.0
120.01988	1.7
121.02348	0.4
124.02422	3.2
132.06580	0.4
136.02817	0.3
136.04541	3.2
136.95399	0.3
137.02948	34.8
138.03052	0.3
138.14948	0.1
139.03369	0.2
142.03488	38.3
143.03632	1.6
151.93134	0.2
154.96420	1.0
160.04546	32.1
161.02971	1.6
161.04839	0.9
165.05013	0.4
178.05597	8.5
179.04001	2.3
179.05647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04557	0.3
58.06595	4.1
58.62447	0.2
69.53404	0.8
70.06583	0.3
72.08142	0.6
82.06569	0.8
83.07361	4.4
84.04499	0.2
84.49325	0.2
86.06068	0.4
87.04464	0.3
88.03980	0.3
88.07626	0.7
96.08156	0.2
98.09689	29.6
99.10043	0.6
100.02467	0.2
100.07591	0.5
101.00864	1.1
101.05999	0.2
103.06339	0.3
109.05709	0.2
116.04741	2.4
119.01926	3.0
127.06293	0.4
137.02959	0.8
137.59981	0.2
142.03467	1.3
142.08650	2.5
160.04645	1.1
160.09682	100.0
161.10008	1.6
178.05560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	2alpha,3beta,4alpha-Trihydroxynortropane
Peak:m/z	Relative Intensity
57.04557	0.3
58.06595	4.1
58.62447	0.2
69.53404	0.8
70.06583	0.3
72.08142	0.6
82.06569	0.8
83.07361	4.4
84.04499	0.2
84.49325	0.2
86.06068	0.4
87.04464	0.3
88.03980	0.3
88.07626	0.7
96.08156	0.2
98.09689	29.6
99.10043	0.6
100.02467	0.2
100.07591	0.5
101.00864	1.1
101.05999	0.2
103.06339	0.3
109.05709	0.2
116.04741	2.4
119.01926	3.0
127.06293	0.4
137.02959	0.8
137.59981	0.2
142.03467	1.3
142.08650	2.5
160.04645	1.1
160.09682	100.0
161.10008	1.6
178.05560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64388	0.1
54.85658	0.1
58.99856	0.1
60.00640	0.2
62.54866	0.1
70.54523	0.2
82.01428	0.1
82.99831	2.3
97.67062	0.1
100.02484	0.5
101.00874	27.1
102.00928	1.7
103.00629	0.3
113.71117	0.1
118.03476	0.1
119.01912	100.0
120.01991	5.9
121.01609	0.6
121.02379	0.4
124.02414	0.1
125.02618	0.2
131.01906	0.1
137.02948	25.9
138.03023	1.2
139.02573	0.1
142.03488	1.0
143.01941	0.2
143.02458	0.1
143.03622	2.9
144.03197	0.8
160.04562	0.3
161.02951	3.7
161.04660	2.0
162.03093	0.2
162.04185	0.5
179.03995	5.2
179.05641	0.4
180.04175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.05510	0.3
56.05027	0.2
56.96558	1.1
57.03425	0.4
58.06595	0.6
59.04982	0.2
59.07378	0.2
60.08149	1.0
69.03425	0.5
70.06593	1.0
71.04984	0.2
72.08155	0.6
73.02917	0.4
73.06544	0.4
75.50155	0.2
81.03402	0.3
82.84198	0.2
82.99825	2.4
84.04484	0.4
84.08138	0.8
85.02901	0.5
86.09695	0.2
87.04472	0.3
97.02882	1.1
98.09705	0.9
98.97579	0.8
99.10064	0.2
101.00879	27.7
102.00921	1.5
103.00642	0.3
115.02438	0.5
116.98611	0.3
118.03505	0.3
119.01918	100.0
120.01988	5.1
121.01625	0.9
121.02426	0.2
129.01862	0.3
129.03992	0.6
132.03407	0.2
133.03445	1.1
137.02957	27.0
138.03018	1.3
142.03517	0.6
143.01898	0.7
143.03629	1.8
144.03264	0.7
147.05034	0.5
148.30902	0.2
157.03464	0.3
159.04979	0.4
160.09663	1.3
160.12212	2.2
160.13504	1.1
161.02951	4.7
161.04788	1.4
161.09996	0.3
161.12489	0.2
161.13759	0.2
162.04279	0.3
177.06064	0.3
179.04008	4.7
179.05492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29753	0.1
56.96564	1.0
58.06588	0.3
60.08155	0.4
69.03398	0.2
69.98670	0.1
69.99011	0.5
72.08147	0.4
73.02906	0.2
82.99834	1.9
84.04488	0.2
84.08134	1.0
84.81386	0.1
85.02973	0.2
87.04462	0.3
97.02899	0.3
98.09690	1.6
98.97564	0.6
99.10014	0.2
101.00870	24.9
101.95026	0.3
102.00925	1.4
102.96838	0.2
103.00633	0.3
103.93415	0.1
104.16525	0.2
112.46147	0.2
115.02457	0.2
116.98618	0.5
117.57494	0.1
118.03567	0.2
119.01907	100.0
120.01978	5.0
121.01641	1.0
121.02393	0.3
129.01854	0.2
133.03436	0.4
137.02940	30.1
138.03027	1.7
138.26460	0.2
142.03470	0.8
143.01868	0.7
143.03635	2.4
144.03246	0.7
160.04582	0.2
160.09703	1.5
160.12236	0.7
160.13356	0.6
161.02946	4.1
161.04646	1.9
161.09943	0.6
161.12460	0.2
162.04280	0.4
172.79056	0.1
179.02408	0.3
179.03984	5.2
179.05592	0.5
180.05391	0.2
184.30507	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65007	0.2
70.53069	0.2
70.94380	0.4
79.23705	0.2
82.01422	0.2
82.99829	2.4
84.08153	0.2
100.02470	0.8
101.00878	30.7
102.00937	1.8
103.00620	0.3
103.01258	0.2
108.78043	0.2
118.03514	0.4
119.01917	100.0
120.01987	5.7
120.02978	0.2
120.03207	0.2
121.01643	0.5
121.02373	0.4
125.02554	0.2
137.02953	25.2
137.50029	0.2
138.03041	1.3
139.03461	0.2
140.00339	0.2
142.03497	0.9
143.03613	2.9
144.03214	0.5
158.01372	0.3
160.04549	0.3
161.02948	3.4
161.04640	2.0
162.04280	0.5
179.04013	4.7
179.05644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87363	0.7
55.01868	3.8
55.05500	2.1
65.03935	1.6
67.05502	0.8
69.03410	1.1
69.07046	0.9
69.22370	4.7
79.05505	4.4
81.07060	0.9
91.05477	23.3
93.07037	6.1
95.04958	1.6
103.05452	3.1
105.07025	84.0
106.07354	2.2
107.04952	2.2
107.08596	1.0
115.05444	3.6
116.06261	1.0
117.07012	4.3
118.07780	2.1
119.04940	28.6
119.08575	14.1
121.06503	7.9
128.06200	6.3
131.04927	2.9
131.08575	8.1
132.05688	2.3
133.06503	7.0
133.10123	54.9
134.10478	1.7
143.08546	7.7
145.06468	2.0
146.07260	18.2
159.08025	0.7
161.06012	7.4
161.09613	100.0
161.13257	5.8
162.10097	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	1.9
91.05466	6.1
93.07041	4.6
98.23441	3.1
99.27631	1.4
105.07025	48.9
107.04955	1.9
117.07033	1.6
119.08605	3.2
121.06492	22.0
128.06216	4.5
131.04936	5.7
131.08574	2.4
133.06491	4.9
133.10124	23.4
143.08545	3.8
145.06490	6.1
146.07253	34.9
146.08351	2.7
156.25450	1.3
159.07965	1.5
161.09612	100.0
162.09944	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.41992	0.9
54.27337	1.0
54.44854	1.0
55.01873	1.8
55.05508	5.6
67.05495	8.4
67.50729	1.1
69.07073	6.0
69.78622	3.6
79.05489	7.3
81.07046	16.6
91.05473	24.3
93.07020	10.1
95.04968	3.2
95.08603	3.6
98.33679	1.0
103.05466	3.6
104.39048	1.0
105.07021	100.0
106.07349	2.2
107.04917	1.4
107.08557	2.5
115.05420	2.0
117.07004	6.9
119.08569	91.5
119.96089	1.3
120.97831	1.4
128.06210	1.2
130.99107	1.0
131.08563	4.7
132.09312	2.2
133.06490	4.3
133.10117	50.0
134.10500	3.0
139.01846	1.4
143.08542	3.0
146.10849	3.0
159.11714	1.4
161.05919	4.6
161.07123	4.6
161.09621	13.9
161.13243	90.8
162.05457	1.9
162.13570	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02375	0.3
55.05512	1.1
63.40941	0.2
67.05501	0.3
69.07066	0.6
69.18797	0.2
71.43163	0.2
77.03919	0.3
79.05476	1.1
81.07043	0.6
91.05481	6.2
91.06341	0.2
92.81084	0.2
93.07050	1.0
95.04955	0.4
103.05473	0.9
104.06233	0.4
105.07025	14.2
106.07360	0.3
107.08559	0.3
115.05426	0.8
117.07045	2.2
119.08578	100.0
120.08923	2.7
131.08553	0.6
133.06506	0.5
133.10124	6.6
145.10121	0.3
146.10831	0.3
161.05984	0.9
161.07133	0.3
161.09625	1.2
161.13257	9.6
162.05489	0.3
173.41232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
55.05512	1.1
63.40941	0.2
67.05501	0.3
69.07066	0.6
69.18797	0.2
71.43163	0.2
77.03919	0.3
79.05476	1.1
81.07043	0.6
91.05481	6.2
91.06341	0.2
92.81084	0.2
93.07050	1.0
95.04955	0.4
103.05473	0.9
104.06233	0.4
105.07025	14.2
106.07360	0.3
107.08559	0.3
115.05426	0.8
117.07045	2.2
119.08578	100.0
120.08923	2.7
131.08553	0.6
133.06506	0.5
133.10124	6.6
145.10121	0.3
146.10831	0.3
161.05984	0.9
161.07133	0.3
161.09625	1.2
161.13257	9.6
162.05489	0.3
173.41232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03933	0.8
63.02381	2.1
68.76791	0.6
77.03925	2.9
79.05487	11.4
89.03911	85.4
90.04254	2.3
95.04955	3.9
102.38461	0.5
105.04510	1.4
107.04946	15.0
117.03371	68.3
118.03699	1.7
119.99675	0.6
135.04405	100.0
136.04730	2.1
145.02844	42.1
145.03917	2.5
146.03178	1.4
163.03891	74.5
164.04271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.02362	0.7
53.03950	0.7
61.23487	0.7
63.02369	2.4
70.74942	1.1
77.03918	1.9
79.05482	9.0
89.03908	81.8
90.04244	1.5
91.05435	0.9
95.04959	3.6
105.04488	1.1
107.04937	13.0
108.05308	0.7
117.03365	66.8
118.03719	1.3
135.04399	100.0
136.04747	2.7
145.02840	41.2
145.03891	2.2
146.03186	1.5
163.03883	74.1
164.04218	1.7
184.76624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
63.02381	2.1
70.75162	0.8
70.75484	0.6
77.03919	2.2
79.05486	10.9
89.03913	72.5
90.04266	2.0
95.04948	3.0
105.04492	1.2
107.04948	12.0
117.03373	63.7
118.03708	1.9
135.04407	100.0
136.04785	2.6
145.02844	44.9
145.03850	1.6
146.03157	1.8
163.03893	75.4
164.04234	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	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
62.77019	0.5
63.02369	2.8
65.96483	0.5
70.75495	0.7
77.03915	1.9
79.05484	12.0
80.87610	0.5
89.03911	88.9
90.04249	1.6
95.04958	4.6
102.02530	0.5
105.04501	1.5
107.04948	13.9
113.72256	0.5
117.03369	75.1
118.03724	1.8
135.04404	100.0
136.04756	2.2
145.02844	42.9
145.03912	2.2
146.03198	1.1
163.03888	71.7
163.59219	0.6
164.04221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
62.21463	0.5
63.02378	2.2
69.40234	2.5
74.39430	0.5
77.03934	1.8
79.05048	0.8
79.05496	12.9
89.03915	75.3
90.04260	1.3
91.05470	1.7
95.04961	4.2
105.04512	1.6
105.07044	0.6
107.04251	0.9
107.04950	13.5
107.08582	1.5
107.42241	0.6
117.03376	57.4
117.07019	0.6
118.03711	1.5
121.10184	0.7
125.74399	0.7
130.06573	0.8
131.04953	0.8
135.04411	100.0
136.04739	2.1
145.02849	39.3
145.03912	2.1
146.03163	1.0
163.03896	71.7
163.11116	1.3
164.04210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.00306	0.7
53.03941	1.0
53.89326	0.5
55.01852	0.7
57.45020	0.4
57.73866	0.5
63.02370	2.6
69.07050	0.8
69.27670	1.1
69.28086	2.4
77.03922	2.1
79.05489	10.7
89.03910	82.8
91.05459	1.2
93.07027	1.3
95.04964	4.6
95.75867	0.6
98.31244	0.5
103.77135	0.5
105.04482	2.0
105.07030	1.3
107.04948	17.0
107.08580	1.0
117.03367	64.6
117.07008	1.7
118.03722	2.0
121.06366	0.5
122.08000	0.5
129.69141	0.4
130.06487	0.5
132.08064	0.7
133.06396	0.6
135.04402	100.0
136.04718	2.4
145.02835	43.7
145.10056	1.0
146.03201	0.8
147.08081	0.7
148.08829	3.7
158.05968	0.5
163.03886	76.3
163.11166	22.4
164.04259	1.8
164.11552	0.6
177.57764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01599	0.4
53.03933	0.8
57.19092	0.3
62.84335	0.3
63.02341	1.7
69.83792	0.4
77.03916	1.6
79.05483	9.5
81.41663	0.4
83.30754	0.3
89.03906	77.3
90.04243	1.9
91.05481	0.7
95.04955	4.1
97.60210	0.3
98.23466	0.6
105.04514	1.6
107.04939	14.6
107.08640	0.5
117.03362	62.1
118.03715	1.7
122.09663	1.1
124.03899	0.4
131.04924	0.5
132.08022	0.5
133.02922	0.3
134.03690	0.4
135.04396	100.0
136.04761	1.9
140.46997	0.4
145.02832	44.7
145.03851	2.1
146.03171	1.6
163.03880	81.0
163.11092	0.7
164.04219	2.2
164.10681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03948	0.8
55.01851	0.6
63.02388	2.1
65.03955	1.0
69.07063	1.1
71.15906	0.7
73.02882	0.6
73.88127	0.6
77.03928	2.2
79.05492	15.3
81.07070	1.3
89.03915	77.0
90.04256	1.9
91.05474	6.0
93.07046	2.8
94.68230	0.6
95.04977	6.7
101.48346	0.6
103.05492	2.1
105.03387	1.4
105.04524	2.3
105.07020	2.1
107.04948	16.4
107.08597	9.5
109.06486	0.8
115.05408	0.7
117.03377	64.9
117.07033	1.9
117.12522	0.6
118.03709	2.0
119.08584	1.1
121.10142	4.4
130.06540	1.8
131.04947	2.4
132.08102	1.8
133.02859	1.6
133.67729	0.7
135.04411	100.0
135.08000	3.8
135.11691	2.6
136.04753	2.3
136.07605	0.9
145.02852	42.0
145.03882	2.1
145.06433	1.0
145.10146	1.2
146.03186	1.2
147.08040	1.2
148.08809	1.1
163.03899	79.9
163.07549	4.3
163.11172	12.7
163.12335	1.2
163.14804	2.0
164.04248	2.2
164.07040	1.3
164.17671	0.6
181.94743	0.7
182.68059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.82072	0.5
53.03941	1.6
57.07059	0.6
63.02373	2.2
65.03937	0.5
69.04210	0.6
69.07066	1.2
69.72896	2.1
75.34375	0.5
77.03925	1.7
79.05487	13.0
81.03396	0.8
81.07063	0.9
87.33762	0.6
89.03912	78.5
90.04247	1.5
91.05476	4.1
92.23154	0.5
93.07055	3.6
95.04960	7.0
95.08578	0.7
103.05437	4.1
105.03402	1.3
105.04494	2.6
105.07003	1.9
106.06461	0.6
107.04942	14.1
107.08584	5.3
109.06466	0.6
117.03371	62.3
117.07022	0.8
118.03710	1.3
119.08613	1.0
121.06493	0.6
121.10168	2.6
124.49320	0.5
130.06538	1.3
131.04956	3.0
132.08084	1.8
133.02818	1.2
135.04405	100.0
135.11707	1.6
136.04761	1.7
136.07565	13.9
145.02847	40.1
145.03903	1.8
145.10117	1.8
146.03159	1.3
148.08838	1.4
163.03891	72.4
163.07539	2.4
163.11160	11.5
163.12288	1.1
163.14809	1.3
164.04231	2.3
164.07037	1.7
164.10681	1.5
180.88654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.4
53.03939	0.7
53.14438	0.4
55.01863	0.6
63.02367	2.2
70.54324	1.0
72.17835	0.4
77.03927	1.9
79.05043	0.7
79.05490	11.3
89.03913	74.1
90.04250	1.4
91.05470	4.3
93.07014	0.8
95.04962	4.5
105.04508	1.4
105.07010	1.5
107.04950	15.3
107.08588	5.8
109.06517	0.9
115.05441	2.9
117.03374	65.7
117.07014	10.7
118.03723	1.4
119.05000	0.4
120.28491	0.5
121.10105	0.6
132.88206	0.5
135.04408	100.0
135.08038	19.3
136.04768	2.1
136.08411	0.5
145.02846	46.6
145.03903	2.2
146.03162	1.3
163.03896	78.2
163.07465	2.6
164.04228	1.8
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	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.85450	0.6
57.61029	0.7
63.02387	1.6
68.13937	0.7
70.74979	0.9
77.03932	1.7
79.05486	12.1
89.03905	77.2
90.04253	0.8
91.05460	0.8
95.04929	4.2
105.04513	1.7
107.04941	14.1
117.03365	65.5
118.03701	2.1
133.02718	0.8
135.04401	100.0
136.04724	2.9
145.02840	37.9
145.03922	2.7
146.03168	0.8
163.03882	61.6
164.04231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.02356	0.7
53.03951	3.1
55.01863	3.5
55.05499	0.7
56.05033	5.8
57.03431	6.7
58.18749	0.7
61.02921	48.6
63.02370	1.2
65.03986	0.6
67.04054	0.7
69.03423	15.3
71.04987	1.5
73.02912	20.4
74.02415	1.5
74.06058	2.8
77.03913	2.7
78.95267	1.0
79.05485	10.7
81.03402	5.2
84.04498	1.6
85.02895	44.8
85.04819	1.2
86.03241	0.8
86.06047	0.8
87.04447	1.2
89.03909	43.8
91.03952	14.0
91.05456	1.6
92.02604	2.4
95.04352	1.0
95.04955	14.7
97.02880	10.4
98.23531	1.0
99.04428	2.8
101.02364	3.1
102.05553	6.2
103.00623	2.3
104.07061	0.8
105.03395	5.7
105.04495	5.8
106.06567	1.7
107.04950	11.1
107.08548	1.7
109.02877	1.1
115.03909	1.1
117.03368	35.7
117.05730	1.4
117.06967	0.7
119.01808	0.9
120.02016	2.0
121.01662	15.9
121.02511	1.0
127.03915	4.9
130.06537	3.3
132.08054	3.6
133.02831	14.7
135.04404	76.9
135.08072	1.4
136.04768	1.8
139.02658	5.8
145.01680	1.4
145.02832	24.5
145.03857	1.1
145.06509	1.6
163.03885	100.0
163.07536	2.1
163.12393	3.4
164.04239	1.4
164.07043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01854	2.8
55.09250	0.8
57.03429	5.8
61.02930	5.3
63.02377	2.7
65.03934	1.2
67.05498	1.2
69.03424	15.0
69.32707	2.3
69.33105	2.9
73.02907	4.1
77.03916	1.5
79.05486	17.1
81.03399	3.6
85.02902	39.9
89.03909	63.2
90.04229	1.4
91.03957	1.6
91.05471	17.6
93.07034	2.6
94.88670	1.0
95.04974	6.7
97.02885	6.8
99.04461	1.1
103.05448	3.7
105.03361	2.8
105.04500	1.9
105.07021	6.1
107.04943	15.1
107.08587	19.3
109.02861	4.1
109.06500	2.7
115.05461	10.1
117.03371	56.3
117.07010	21.1
118.03695	1.0
119.04939	1.0
119.06060	2.6
119.08571	2.2
121.06546	1.5
127.03886	2.4
130.06512	2.2
131.04918	3.1
132.08121	1.4
132.66466	0.9
133.02818	2.9
135.04407	100.0
135.08043	46.6
135.08939	0.8
136.04741	1.5
139.01749	0.9
145.02843	37.8
145.03876	2.2
145.06459	6.2
146.03186	1.2
148.05183	1.5
163.03889	82.4
163.07532	21.3
163.08789	1.4
163.11101	1.0
163.12346	1.4
164.04193	2.1
164.07002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Beta-dolabrin
Peak:m/z	Relative Intensity
50.01582	0.5
53.03938	1.1
55.01664	0.4
55.01871	5.2
55.05494	1.5
65.03925	2.3
65.27666	0.6
67.05496	2.7
67.73245	0.4
69.03418	3.9
69.07057	1.6
69.94083	1.4
77.03912	1.7
79.05488	55.9
80.05000	0.4
81.03429	0.8
81.07033	1.2
84.08115	0.5
89.03908	9.9
91.05472	29.9
93.07034	12.8
94.07370	0.9
95.04948	6.1
95.08587	1.0
98.23439	0.7
99.32865	0.5
105.03364	1.9
105.04519	2.2
105.07024	15.2
106.06551	1.6
107.04945	5.7
107.08585	75.5
108.08920	1.7
109.06520	7.0
115.05454	4.6
117.03371	8.6
117.05724	1.4
117.07011	11.8
117.07812	0.8
119.06037	4.0
119.08559	2.3
120.08114	0.9
121.06501	1.4
121.10130	4.7
130.06522	2.5
130.07715	0.6
132.08087	4.2
133.02859	2.6
133.06525	0.5
134.07298	0.5
135.03355	0.8
135.04405	17.5
135.08043	53.3
135.11662	4.3
136.08379	1.4
145.02838	6.3
145.06448	0.6
145.10141	3.0
159.22659	0.5
163.03902	19.5
163.07526	100.0
163.11185	7.5
163.12323	2.3
163.14827	1.4
164.04207	0.5
164.07983	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	163.0754
Annotation	Beta-dolabrin
Peak:m/z	Relative Intensity
51.02364	0.6
53.03951	2.0
55.01870	13.2
58.21845	0.5
64.19111	0.4
65.03938	4.6
67.05511	2.5
69.03419	3.9
70.49129	1.1
77.03940	1.5
79.05489	61.1
80.05827	1.1
81.07053	5.4
89.03923	0.9
91.05476	57.1
92.05795	1.5
92.06278	1.4
93.03390	4.8
93.07040	9.6
95.04967	4.9
103.05426	0.5
105.03406	1.1
105.04507	1.6
105.07027	23.5
106.06553	0.7
107.04948	7.2
107.08589	79.8
108.08929	2.0
109.06515	13.5
115.05449	20.6
117.07014	27.8
118.07348	0.8
119.06058	8.0
119.08569	1.4
120.05708	3.7
121.06474	1.6
130.06514	1.3
131.13293	0.5
132.08064	1.3
133.06477	1.9
135.08044	100.0
136.08408	3.2
145.06416	0.6
163.03960	2.9
163.07532	63.5
164.07901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02363	1.1
53.03939	1.6
55.01861	2.7
57.03426	1.2
60.13513	0.7
61.02913	1.1
61.65525	0.8
63.02370	2.3
64.40526	0.7
65.03934	2.8
67.05483	1.2
67.78799	0.7
69.03429	1.9
69.07077	2.1
69.55750	3.8
71.63244	0.7
77.03924	3.6
79.05491	30.2
79.31809	0.8
81.07056	1.1
83.01320	1.2
85.02448	0.8
85.02894	4.5
89.03915	72.3
90.04245	1.9
91.05477	39.3
93.07042	5.8
95.04974	7.3
95.08609	0.8
98.23435	0.8
103.05465	2.7
103.69545	0.8
105.03391	2.9
105.04509	2.8
105.07022	13.1
107.04948	18.1
107.08589	44.5
109.06496	6.8
112.11555	0.8
115.05453	22.1
116.06291	1.4
117.03374	60.0
117.07014	41.9
118.03708	1.6
118.07380	1.1
119.06049	4.7
119.08582	2.9
121.06520	1.8
121.10120	2.9
130.06505	2.2
131.04906	2.5
132.08067	3.0
133.02867	2.3
135.04410	100.0
135.08043	82.5
135.11661	0.9
136.04741	2.2
136.08391	2.2
145.02849	38.3
145.03940	2.0
145.06491	13.2
146.03130	1.6
148.05168	2.8
160.17763	0.9
163.03899	78.6
163.07530	37.9
163.11119	1.7
163.12273	2.0
164.08070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	4.9
55.01625	1.4
55.01873	24.8
55.05509	10.5
57.02617	1.4
57.03428	5.9
57.07072	2.7
63.02360	2.2
65.03912	2.4
67.05505	29.7
69.03414	8.2
69.07060	10.7
69.31723	2.9
69.32123	4.2
71.04962	1.8
77.03905	4.7
79.05486	75.7
81.03409	7.2
81.07054	25.7
83.04964	5.4
89.03912	77.6
91.05472	42.4
92.05814	1.7
93.07042	76.2
94.07365	1.4
95.04968	25.3
95.08602	25.6
97.06526	1.5
103.05473	13.9
105.03381	3.6
105.04543	6.4
105.07027	37.7
106.06531	2.6
107.04953	38.5
107.08591	62.2
109.06493	6.3
115.05427	5.1
116.06220	2.6
117.03376	63.0
117.05740	2.3
117.07016	44.5
118.03683	1.5
119.08574	22.4
121.06497	22.1
121.10139	18.9
122.09695	2.0
124.88513	1.5
128.06250	1.4
129.06975	2.5
130.06519	4.9
130.07765	15.3
131.04915	11.3
132.08064	7.3
133.02823	1.7
133.06490	1.9
133.10097	4.7
134.07288	1.6
135.04411	100.0
135.08028	12.8
135.11685	30.5
136.04723	2.7
143.08502	4.0
145.02858	38.8
145.03922	2.4
145.10114	61.0
146.10469	1.8
148.08836	4.6
163.03903	84.1
163.07532	9.2
163.11165	97.8
163.12245	5.1
163.14819	3.6
164.04210	2.7
164.11633	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	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.74792	1.6
55.01871	7.3
55.05500	5.0
65.03931	1.5
67.05495	3.2
69.03428	27.3
69.07051	2.9
71.04990	1.6
77.03918	2.4
77.87708	1.4
79.05487	14.2
80.05009	1.4
81.07042	5.6
83.04974	2.0
87.82497	1.3
89.03902	2.5
91.05469	30.0
93.07042	44.8
95.04969	10.2
103.05460	2.4
105.03384	8.2
105.04462	2.8
105.07026	43.6
106.06595	6.3
107.04946	2.9
107.08589	100.0
109.06500	4.0
115.05408	2.9
116.55626	1.3
117.03360	2.1
117.05745	4.1
117.07001	15.0
119.06064	1.6
119.08573	14.4
120.08138	1.5
120.09393	3.2
121.06489	20.7
121.10139	34.1
123.08082	1.6
128.06210	1.7
129.06972	4.0
130.06528	12.2
130.07768	19.8
132.08087	12.3
133.02821	5.0
133.06503	2.2
133.07544	2.5
135.04419	9.9
135.08015	6.6
135.11688	56.7
136.11969	1.3
143.08546	4.1
145.10118	87.5
146.10452	2.7
148.08821	2.9
163.03900	21.2
163.05107	1.9
163.07510	3.4
163.11165	78.4
163.12296	6.6
164.07045	4.5
173.32095	1.4
177.79196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
55.01862	5.3
55.05498	5.4
57.07067	1.4
67.05510	1.3
69.03424	21.8
69.07056	3.4
71.01775	1.9
77.03901	1.6
79.05489	10.5
81.07034	3.7
83.04975	1.6
91.05479	22.0
93.07040	45.2
95.04938	4.0
95.08598	1.7
103.05454	2.4
105.07021	42.0
105.07733	2.1
106.07328	1.4
107.08586	100.0
108.08938	2.2
109.06503	3.9
115.05430	1.8
117.07005	14.0
119.06075	3.4
119.08568	13.9
120.09328	3.5
121.06499	24.0
121.10130	30.1
122.10459	1.9
123.08054	2.9
128.06224	2.1
129.06978	2.6
130.07776	19.4
133.06512	1.5
133.10059	2.1
135.08055	4.8
135.11687	50.2
136.11984	1.4
143.08504	4.4
145.10118	86.2
146.10498	1.7
148.08797	4.1
163.11169	88.1
164.11505	2.6
177.90897	1.3
178.12466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44317	0.7
53.03942	1.0
55.01877	4.9
55.05514	5.5
57.03428	1.3
58.24218	0.8
62.11182	0.8
62.35252	0.7
62.45299	0.9
65.03925	1.1
67.05498	2.2
69.03064	1.5
69.03426	24.5
69.07055	3.7
70.07887	1.6
70.08225	1.1
71.04984	1.0
77.03926	2.2
79.02316	0.8
79.05495	13.1
81.07065	4.1
83.04962	1.8
91.05475	26.1
93.07042	45.7
94.07365	1.0
95.04975	5.4
95.08602	2.4
95.20347	0.7
98.22773	1.1
103.05452	3.1
105.03385	1.1
105.04508	2.1
105.07027	39.6
106.06557	1.3
107.04928	2.9
107.08589	100.0
108.08929	2.2
109.06509	3.8
115.05427	2.9
116.06197	1.0
117.03328	1.1
117.05785	0.8
117.07010	13.5
119.06086	3.3
119.08579	16.5
120.09370	2.3
121.05637	1.1
121.06504	22.9
121.10139	34.4
123.08044	2.7
128.06247	3.3
129.06985	4.4
130.06555	2.1
130.07780	22.0
132.08083	2.3
133.02855	1.0
133.06474	1.4
133.07613	2.0
133.10104	2.7
135.04399	1.4
135.08080	4.2
135.11685	54.2
136.12036	1.1
137.09641	1.0
143.08540	4.6
145.10117	89.9
146.10455	3.7
148.08829	3.6
163.03894	3.6
163.11171	84.6
164.11559	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03946	1.5
55.01865	5.3
55.05502	6.7
57.03420	0.6
57.07069	1.6
65.03924	1.3
67.05505	2.7
69.03425	26.0
69.07063	2.9
69.37088	0.6
71.04986	1.5
77.03925	2.0
79.05490	15.2
81.07063	4.7
82.96061	0.5
83.04972	2.1
83.13633	0.5
89.03901	0.6
91.05474	27.8
93.07041	51.1
94.07362	0.8
95.04963	6.0
95.08589	2.2
103.05453	3.4
105.03400	1.7
105.04503	1.7
105.07024	44.8
106.06605	1.1
106.07253	0.7
106.07872	0.8
107.04950	2.5
107.08585	100.0
108.08913	1.9
109.06514	4.7
112.60365	0.6
115.05453	2.4
116.06283	0.7
117.03289	0.6
117.05769	1.1
117.07014	12.5
119.06090	2.7
119.08583	16.5
120.09427	1.6
121.06503	21.9
121.10140	35.5
122.10452	1.2
123.08047	2.3
124.40501	0.6
128.06192	2.1
129.07013	4.4
130.06560	2.2
130.07782	21.4
132.08043	3.2
132.28615	0.7
133.02850	1.0
133.06467	2.6
133.07596	2.0
133.10103	2.0
135.08089	4.0
135.11684	54.9
136.12015	1.6
137.09587	0.8
143.08553	4.6
145.10115	92.8
146.10432	2.5
147.09239	1.1
148.08829	3.5
161.09683	0.6
163.03902	2.5
163.07504	1.5
163.11169	86.3
163.12201	3.1
164.11525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42785	1.5
53.03928	1.9
55.01873	4.7
55.05505	4.3
67.05495	3.7
69.03429	28.7
69.07053	5.0
70.13228	3.3
79.05499	13.3
81.07047	8.0
83.04938	1.5
86.69083	1.5
88.87089	1.5
91.04940	3.2
91.05473	33.3
93.07044	49.9
95.04957	6.1
95.08631	2.0
103.05492	2.4
105.03346	1.5
105.04538	2.8
105.07032	50.4
105.07735	2.6
107.04950	3.4
107.08590	100.0
108.08913	1.7
109.06510	5.1
115.05470	2.6
117.05721	2.3
117.07017	16.7
119.06060	2.3
119.08582	16.4
120.09366	3.8
121.06509	21.0
121.10141	35.9
123.08070	2.9
128.06250	2.3
129.07001	4.3
130.06526	5.6
130.07771	19.4
132.08072	4.4
133.10133	1.8
135.04437	2.3
135.08025	3.3
135.11690	60.4
143.08563	4.2
145.10123	99.0
146.10411	3.1
148.08832	4.4
163.03876	4.1
163.07516	3.2
163.11174	93.6
163.12219	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.75876	0.3
53.03938	0.7
53.38693	0.3
55.01859	1.2
55.05501	0.8
57.03427	0.5
57.07052	0.4
63.02375	0.7
65.03925	0.3
67.05495	1.0
69.03410	1.1
69.07067	1.7
69.31728	1.5
77.03928	1.4
79.05490	10.6
81.03392	0.4
81.07048	1.5
83.05018	0.3
83.08620	0.4
85.02888	0.3
89.03915	30.3
89.41473	0.3
90.04237	0.9
91.04937	0.5
91.05477	5.9
93.03392	0.4
93.07044	4.4
95.04959	4.4
103.05466	0.9
105.04501	1.0
105.07023	4.4
106.37354	0.3
107.04949	8.6
107.08590	9.1
109.06496	1.0
115.05453	1.3
117.03375	22.9
117.07010	3.4
118.03717	0.6
119.06071	0.5
119.08591	1.6
121.06491	1.3
121.10134	3.2
130.06548	0.7
130.07793	0.9
131.04924	0.7
132.08095	1.1
133.02831	0.7
133.06493	2.7
135.04410	36.0
135.08051	6.9
135.11700	2.0
136.04755	0.9
143.08559	0.3
145.02850	16.1
145.03922	0.8
145.06470	0.5
145.10115	5.9
146.03207	0.3
147.08032	3.2
148.08821	13.0
149.09167	0.4
161.30635	0.3
163.02484	0.7
163.03899	28.1
163.07568	3.2
163.11169	100.0
164.04289	0.4
164.07048	0.4
164.11523	2.7
173.08493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	0.7
51.50735	0.7
53.03947	1.6
54.29361	0.7
55.01860	2.1
55.05507	9.2
57.07071	3.7
65.03927	1.5
67.05487	2.0
69.03425	7.3
69.07064	15.5
77.03914	1.7
79.05488	20.9
79.47003	0.7
81.07057	7.1
82.07311	0.6
83.04975	1.1
83.08624	4.5
84.08148	1.4
84.49794	0.7
88.95168	0.6
89.03908	12.6
91.05476	20.6
93.07040	41.9
95.04964	7.3
95.08608	6.3
103.05477	1.6
105.03423	4.2
105.04515	2.8
105.07026	22.7
105.07732	1.2
106.06537	2.9
107.04950	4.0
107.08587	100.0
108.08899	2.5
109.06473	4.3
109.10114	0.9
115.05447	1.3
117.03369	10.5
117.05742	1.8
117.07006	4.9
119.06054	2.8
119.08566	9.6
120.08119	1.1
120.09381	1.6
121.06505	8.2
121.10137	48.5
122.09644	1.0
122.10432	1.4
123.08064	2.3
128.06299	0.8
129.06970	1.1
130.06540	6.1
130.07730	5.2
131.04950	0.6
132.08087	6.5
133.02814	4.2
133.07556	0.9
133.10146	1.3
135.04410	20.7
135.08046	3.9
135.11681	28.9
143.08536	1.4
145.02861	6.4
145.10124	19.9
146.88525	0.8
148.08775	1.0
163.03902	27.2
163.04893	1.1
163.07523	1.4
163.08913	1.0
163.11156	27.4
163.12340	4.6
163.14812	24.9
164.04233	1.4
164.07100	1.0
164.11597	0.9
174.37975	0.6
181.09412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03941	2.6
55.05510	16.4
57.07052	1.9
65.03950	1.6
67.05165	2.4
67.05506	33.3
69.07065	18.7
69.98147	2.7
69.98525	1.8
77.03908	3.1
79.05492	81.2
80.05823	1.5
81.07056	54.5
83.08618	10.4
84.08144	1.3
86.51306	1.1
91.05478	16.2
93.07045	85.5
94.07397	1.7
95.04964	7.1
95.08603	61.6
97.10155	2.3
105.03387	3.9
105.04559	2.4
105.07021	5.1
106.06565	4.7
107.04883	1.5
107.08591	80.7
108.08926	1.4
109.10155	5.5
117.05748	3.2
117.07004	1.5
119.08577	3.5
120.08110	1.9
121.10144	100.0
122.10469	2.8
130.06531	10.0
130.07391	1.4
130.07695	1.1
132.08075	9.5
133.10101	1.4
135.04391	3.2
135.11691	13.2
145.10123	2.9
163.03903	6.0
163.11172	13.0
163.12360	7.6
163.14815	82.4
164.15166	3.6
180.06795	1.2
184.95160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84073	0.5
58.06597	0.6
70.12336	1.5
79.44840	0.6
82.01437	0.7
82.99841	5.0
87.33228	0.5
91.05489	1.3
95.04987	1.1
100.02495	1.0
100.11237	1.8
101.00877	39.8
102.00936	1.3
102.62876	0.5
118.03574	0.6
119.01914	100.0
119.04921	1.5
120.01994	3.6
123.04434	2.0
124.02449	5.6
137.02950	20.8
138.03076	0.9
142.03493	67.0
143.03627	2.2
144.64963	0.6
147.04372	0.9
160.04561	16.8
161.04697	0.9
165.05194	0.9
166.08389	25.1
170.63539	0.6
177.13850	0.6
178.74683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03943	7.0
55.01859	6.6
55.78086	1.3
60.28137	1.5
65.03934	17.0
66.04694	2.1
67.05499	5.9
68.99788	6.4
69.03423	11.3
69.54254	6.9
71.01355	1.6
74.03750	1.4
75.44498	1.3
77.03902	3.1
79.05491	32.2
81.03413	15.1
81.07054	89.1
82.07399	2.6
83.01343	2.2
87.06564	1.4
91.05476	90.9
92.05807	2.0
93.07037	6.2
94.04163	4.3
95.01324	4.0
95.04958	18.7
97.02906	2.3
97.06539	2.0
103.05478	1.9
105.04530	3.3
107.04937	6.6
108.05742	1.7
109.02876	2.9
109.06511	88.6
119.04933	51.4
119.05594	1.3
120.05241	1.8
122.54375	1.5
123.04434	5.0
126.18812	1.7
137.05966	93.9
138.06236	1.9
147.04396	100.0
148.04767	2.0
150.03131	5.5
165.05466	68.5
166.05783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
55.01873	4.0
55.05508	4.7
56.49002	0.3
57.03442	0.7
61.10582	0.3
65.03937	1.0
67.05499	39.8
68.05821	0.7
69.03431	0.8
69.07052	0.9
73.13048	0.4
79.05493	1.9
81.03412	0.4
81.06570	0.7
81.07052	11.2
82.99845	1.7
91.05478	2.6
93.07024	2.8
95.04961	5.6
95.08600	14.7
96.08962	0.5
100.02425	0.5
101.00867	19.7
102.00935	0.6
104.29340	0.4
105.07063	0.4
107.08571	4.1
109.06525	3.7
109.10146	100.0
110.10442	2.2
117.06990	0.4
118.03535	0.4
118.78764	0.4
119.01910	81.3
119.08562	4.5
120.01979	3.2
121.10151	0.8
123.04454	0.5
124.02421	3.2
137.02946	28.7
137.05956	1.0
137.09604	45.1
138.03030	1.4
138.09991	0.8
142.03488	53.0
143.03600	2.0
147.08017	0.9
152.78407	0.4
160.04546	17.0
161.04634	0.9
165.05153	3.0
165.07687	0.7
165.09099	14.0
183.06050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.85213	0.7
53.03938	1.0
55.01859	1.9
55.05512	1.6
56.23517	0.6
57.03418	1.0
64.21709	0.7
65.03927	2.6
67.05501	19.5
69.03427	3.8
69.30470	2.6
69.30871	1.6
77.03926	1.8
78.24998	0.6
79.05048	0.9
79.05496	14.8
81.03407	1.9
81.07056	19.1
83.04983	1.4
91.05478	71.0
92.05823	1.4
93.03396	2.0
93.07042	37.6
95.04964	15.8
95.08611	9.9
96.08385	0.6
98.22652	1.2
101.00877	5.9
103.05460	2.6
104.06226	1.7
105.04518	1.9
105.07030	7.2
107.04958	2.0
107.08604	8.7
109.06532	3.5
109.10150	12.2
115.05458	1.5
117.07018	11.0
119.01921	20.5
119.04941	48.8
119.08578	64.3
120.05286	0.6
120.08886	1.2
121.06493	2.4
121.10143	1.0
123.04451	4.4
123.08047	5.1
124.02478	1.6
129.06989	2.4
132.05705	1.3
135.08040	5.7
137.02948	4.5
137.05966	2.3
137.09612	11.9
142.03487	14.5
147.04404	100.0
147.08052	12.0
148.04739	2.9
160.04536	3.1
164.34723	0.7
165.05467	1.3
165.06816	1.0
165.09105	16.9
165.10406	1.3
166.08400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03929	0.6
55.05503	1.6
55.95514	0.4
56.51927	0.5
65.03946	0.9
67.05499	4.4
70.70763	0.9
79.05487	5.3
80.06265	0.9
81.03394	0.6
81.07057	2.4
82.99833	0.5
83.04974	2.0
85.11029	0.5
91.05476	11.6
92.05788	0.5
93.07028	3.6
94.04153	0.5
95.04968	19.5
95.08609	5.7
96.05248	0.7
101.00880	4.8
103.05478	1.2
104.06253	0.6
105.07027	3.3
107.04942	1.7
107.08601	1.6
108.05735	29.2
109.06528	1.2
109.10161	4.0
117.07012	2.0
119.01097	1.0
119.01917	13.0
119.04939	5.9
119.08575	14.4
119.09416	0.8
121.06498	5.3
122.07281	2.0
123.04423	1.1
123.08063	4.4
124.02418	0.7
131.04900	1.5
132.05692	1.6
137.02946	1.8
137.05991	0.8
137.09601	2.3
142.03482	6.7
145.06499	1.0
147.03329	0.7
147.04416	10.1
147.08037	9.9
150.06743	1.7
160.04518	1.6
165.09103	100.0
166.09445	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	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
50.69460	1.2
52.91068	1.3
53.03920	2.7
54.79887	1.1
55.01867	2.6
55.05504	9.7
58.27360	1.0
65.03920	3.2
67.05500	100.0
68.36070	1.3
69.03426	51.6
69.07059	3.7
70.94115	1.6
77.03915	1.4
78.00358	1.2
79.05481	7.9
81.03400	3.2
81.07053	28.1
91.05476	22.1
93.07043	13.4
94.07870	1.2
95.04971	18.7
95.08600	54.1
96.08965	1.3
101.00899	1.7
103.05420	1.6
105.07044	8.6
107.04950	2.5
107.08591	9.6
107.48359	1.1
109.02876	5.5
109.06511	15.3
109.10149	94.5
110.10466	1.2
117.06995	3.5
119.01920	6.3
119.08575	30.0
121.06483	1.3
122.07268	3.5
123.04464	2.3
123.08062	46.1
127.07548	1.4
129.06984	2.1
135.08037	1.2
137.02969	1.5
137.05988	3.9
137.09608	87.7
138.09903	2.7
142.03481	3.9
147.08054	8.6
153.94362	1.1
165.09103	79.3
166.09422	2.6
183.09377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55322	0.1
55.01865	0.4
55.02972	0.2
56.05025	0.5
57.03436	0.7
57.04553	0.7
58.06588	0.1
58.99869	0.7
59.61973	0.1
59.63982	0.1
59.99954	0.1
60.00634	0.1
61.02920	1.0
65.92631	0.1
67.05468	0.1
69.03419	0.7
70.99844	0.2
71.30083	0.1
71.52173	0.2
73.02907	0.6
77.00925	0.4
79.05473	0.2
80.04996	0.1
80.52700	2.7
80.94961	0.2
81.03405	0.8
81.04523	0.4
82.99815	2.3
83.00262	0.2
84.04008	0.2
84.04498	4.2
84.05006	0.3
84.99396	0.1
85.02893	2.3
86.52689	0.3
89.00880	0.1
89.53212	2.1
90.52940	0.3
91.05475	0.3
92.05786	0.3
92.52680	1.8
93.02770	0.1
93.07042	0.2
93.53460	0.5
94.04081	0.1
94.54246	0.2
95.04956	0.5
95.53178	0.1
96.04482	0.1
96.05302	0.4
97.01385	1.1
97.02885	0.5
98.01431	0.8
98.52671	0.4
99.01147	0.2
99.02917	0.2
99.53462	2.3
100.02483	0.3
100.11251	0.4
100.52413	0.2
101.00868	29.1
101.53201	8.6
101.53911	0.1
102.00945	1.4
102.03279	0.5
102.05535	0.5
102.53973	0.3
103.02464	0.2
103.54789	0.1
105.03745	0.1
105.04456	0.1
105.53460	0.2
106.01389	0.3
106.52406	0.1
106.54224	0.1
107.02206	0.4
107.53188	3.0
108.03278	0.3
108.04491	0.3
108.53979	0.9
108.70915	0.1
109.02879	0.3
109.04040	0.2
109.05109	0.4
110.03515	2.1
110.05951	0.1
110.53738	0.3
111.53483	0.1
112.02459	0.1
113.00837	0.3
113.02560	0.1
113.03968	0.1
113.53208	1.4
114.04070	0.5
114.04729	0.1
115.02423	4.9
115.04101	0.6
116.02506	3.4
116.53710	0.4
117.02193	0.9
117.02921	0.1
117.03191	0.1
117.03982	1.2
118.03401	0.1
118.04121	0.4
119.01907	100.0
120.01989	4.6
120.05251	0.4
120.08116	0.2
120.45838	0.1
120.53939	0.2
121.01630	0.4
121.02338	0.5
121.05083	0.2
121.06485	0.4
121.07514	0.1
121.52924	0.2
121.97556	0.2
122.04479	0.2
122.06017	0.1
122.07151	0.2
122.53672	0.6
123.01537	0.1
123.04426	0.3
123.06698	0.4
124.02432	7.6
124.04792	0.6
125.02577	0.6
126.02197	0.1
128.04559	1.6
130.03482	0.7
131.01915	1.0
131.03557	1.2
131.05528	1.0
131.54214	0.2
132.03250	0.3
132.05054	0.4
133.03465	2.6
133.05196	0.4
134.03569	1.6
134.53705	0.1
135.03075	0.6
135.04994	1.0
136.05138	0.4
137.02942	27.7
138.03052	1.6
138.04129	0.2
138.05478	0.1
139.01122	0.9
139.02440	0.2
140.05589	0.2
142.03484	67.9
143.02010	0.7
143.03589	7.3
144.03183	1.3
144.05025	0.2
145.03476	0.5
146.02966	0.1
147.04977	0.1
148.04556	0.7
148.06395	0.2
148.07576	1.2
149.03214	0.2
149.04591	4.1
149.06544	0.7
153.04063	1.0
155.01868	0.2
156.05045	0.9
157.02190	3.7
157.03448	2.8
160.04538	68.4
160.96089	0.1
161.03014	1.2
161.04648	13.4
162.04193	2.0
162.06174	0.3
165.05092	0.7
166.03488	6.1
166.05026	0.8
166.07225	20.8
166.08501	5.7
167.05640	10.2
167.07024	0.4
167.07863	0.2
167.09039	0.2
168.06055	0.2
169.03406	0.2
171.04980	0.1
173.02913	0.2
174.06113	0.6
175.03214	1.0
175.04553	0.8
178.05592	2.8
179.04063	0.2
179.05682	0.3
183.03659	0.1
183.06187	0.7
184.04535	61.1
185.02934	0.3
185.04652	2.5
185.07639	0.2
186.06268	0.1
188.07733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
57.03437	0.6
57.04548	0.4
58.99854	0.7
61.02921	1.1
65.92670	0.3
69.03440	0.7
70.82243	0.7
70.99839	0.4
71.52165	0.6
73.02932	0.5
80.52705	2.4
81.03396	0.7
81.04527	0.4
82.99827	4.5
84.04503	4.5
85.02903	2.0
89.53225	1.8
92.52686	1.3
93.53470	0.7
96.43320	0.4
97.01396	1.5
98.01485	1.0
99.53458	2.9
101.00877	45.0
101.53209	9.8
102.00986	1.3
102.03279	0.5
102.05543	0.4
102.54017	0.4
107.02184	0.8
107.53204	3.7
108.53983	1.2
110.03540	1.5
113.00845	0.4
113.02587	0.4
113.53199	1.0
114.04038	0.6
115.02435	5.1
116.02555	2.4
116.53751	0.7
117.02164	0.6
117.04014	1.1
118.04105	0.5
119.01913	100.0
120.01981	4.5
121.02362	0.5
122.53728	0.9
124.02450	14.1
124.04843	0.6
125.02542	1.6
128.04579	1.2
129.04088	0.4
129.37595	0.4
130.03473	0.6
131.01895	1.5
131.03685	0.8
131.05569	0.9
133.03473	2.2
133.05170	0.5
134.03607	0.9
135.04977	0.5
137.02956	19.0
138.03049	1.1
139.01158	1.3
139.02332	0.4
142.03496	75.7
143.01935	0.6
143.03587	9.8
144.03247	1.3
145.03487	0.5
148.04591	0.7
148.07620	1.5
149.04614	3.2
149.06609	0.5
153.04115	0.7
155.01912	0.4
156.05060	0.7
157.02202	4.1
157.03493	3.3
157.82112	0.4
160.04550	63.6
161.03088	0.7
161.04662	13.0
162.04155	1.8
166.03484	9.3
166.04979	0.8
166.07246	13.3
166.08572	3.7
167.05643	5.5
175.03250	0.7
175.04567	0.8
175.81447	0.4
178.05571	1.1
184.04552	62.4
185.03023	0.7
185.04712	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	166.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.8
70.14532	0.8
92.56986	0.2
94.06347	0.9
100.11253	7.8
153.18707	0.3
166.08386	100.0
167.08722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19259	21.5
69.19678	9.0
87.97869	5.5
100.11227	5.7
103.18808	5.1
120.02045	5.0
153.36697	5.9
166.08406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
54.11181	0.1
70.98651	0.2
77.03916	0.3
79.05483	1.7
80.05806	0.2
81.03404	0.2
81.07045	0.2
82.07365	0.3
91.05466	1.2
92.05807	0.3
93.07034	2.8
95.04984	0.4
95.58678	0.1
100.11273	0.1
102.00994	0.2
103.05457	11.5
104.05801	0.3
105.04480	0.2
107.04951	2.4
110.06780	0.3
118.06543	0.3
119.01952	0.1
120.02022	0.4
120.08092	100.0
121.07639	0.2
121.08434	2.1
131.04906	2.4
138.06297	0.3
143.03569	0.4
148.04755	0.6
149.05965	0.5
166.05826	0.4
166.08499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.81384	0.1
69.90253	0.2
77.03917	0.2
79.05489	1.3
91.05462	0.9
93.07040	2.5
95.04965	0.3
102.00956	0.2
102.61932	0.1
103.05460	11.7
104.05835	0.3
105.04533	0.2
107.04948	2.0
118.06539	0.2
119.01899	0.1
120.02085	0.4
120.08096	100.0
121.07635	0.2
121.08442	2.0
131.04912	1.9
143.03593	0.2
149.05972	0.8
162.16100	0.1
162.93707	0.1
166.08609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
53.03938	2.5
55.00399	0.6
55.01856	1.5
67.05496	1.5
70.55078	1.3
77.03930	2.4
79.05487	10.6
80.10786	0.5
81.03410	100.0
82.03725	1.4
83.04984	2.3
85.02909	1.4
91.05478	7.5
93.07037	16.4
94.46519	0.6
95.04958	9.5
97.06528	6.3
103.05462	2.5
105.04487	3.0
107.04947	5.2
109.02872	16.6
109.06584	0.6
110.03647	1.1
111.08095	0.6
121.05612	1.3
121.06492	26.4
122.67477	0.7
123.04418	1.2
125.05988	5.2
139.07510	1.1
149.05965	26.8
167.07018	6.2
177.05640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24503	2.1
51.75488	2.3
53.03939	5.0
55.01876	3.0
55.05496	4.9
57.54869	2.2
65.03930	2.4
67.05494	14.9
69.03417	3.4
69.07063	6.0
69.20507	14.3
71.04975	7.0
77.03894	3.1
79.05493	28.3
81.03419	14.4
81.07039	8.5
83.04969	8.7
85.16306	2.6
91.05474	38.8
92.05801	5.1
93.06442	4.6
93.07042	74.3
95.04956	29.2
95.08599	14.6
97.06516	9.2
103.00640	7.5
103.05495	2.6
105.04492	9.0
105.07022	9.6
107.04944	10.7
107.06035	2.3
107.08582	27.4
108.04475	4.6
109.06508	12.6
109.10148	4.1
111.08067	3.4
116.06158	3.1
121.01662	38.0
121.06502	58.7
121.07510	5.5
121.10127	25.2
123.04429	3.1
123.08063	19.3
124.05221	22.7
125.05967	13.1
131.08560	8.1
135.04474	5.8
139.02722	12.3
139.07516	3.1
139.08595	2.2
144.03233	17.7
149.02327	6.6
149.05984	42.8
149.07091	6.4
149.09581	13.3
150.05415	3.7
151.03926	3.2
152.04755	12.4
152.06595	10.3
157.57857	2.3
162.04315	6.0
167.07019	100.0
167.08235	6.7
167.10626	40.1
167.11853	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Phenyllactate
Peak:m/z	Relative Intensity
51.02373	1.3
51.70787	0.7
53.03944	6.2
55.01863	2.5
55.05496	1.4
65.03244	0.7
67.05506	3.8
69.51704	2.7
69.52108	1.7
77.03931	8.8
79.05487	7.3
81.03414	5.6
81.07056	1.8
91.05477	46.3
92.05778	0.7
93.07039	100.0
94.07369	2.2
95.01336	1.0
95.04965	23.2
95.08611	1.9
97.06538	2.4
103.05441	4.9
105.04511	8.5
105.07030	0.9
107.04970	4.2
109.06503	2.5
111.08077	2.4
114.09851	0.7
121.06499	56.8
122.06844	1.2
123.04466	1.1
131.04924	1.7
137.06004	1.4
139.07587	2.1
149.05966	37.1
150.06291	1.4
167.07014	6.6
167.08244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	20312-36-1
Peak:m/z	Relative Intensity
51.02372	1.3
53.03947	5.7
55.01856	4.2
55.05508	10.1
56.40292	1.2
65.03941	1.7
67.05489	9.9
68.99780	1.7
69.03415	4.7
69.07037	1.2
70.54898	2.2
71.01350	1.8
77.03925	12.9
79.05485	11.2
81.03430	2.0
81.07044	2.8
83.04971	2.5
83.08598	2.5
85.02888	2.8
85.44925	1.1
91.05476	52.8
93.07039	64.8
94.04156	1.9
94.07343	1.9
95.04963	40.8
95.08614	5.2
97.06537	13.1
103.05463	7.3
105.04503	12.6
107.04963	3.9
108.05695	1.2
109.06499	3.3
111.08078	26.6
121.06498	100.0
122.06767	1.5
123.04417	5.4
123.08032	1.3
125.05974	6.7
128.30750	1.2
131.04889	1.9
139.07523	15.6
149.05966	42.6
158.94693	1.1
159.02144	1.1
167.07030	58.2
168.07283	1.4
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	Phenyllactate
Peak:m/z	Relative Intensity
50.01580	0.6
51.02380	1.6
53.03946	6.2
55.01874	3.4
55.05506	1.3
63.45162	0.5
65.03949	0.7
67.05499	3.5
77.03927	11.4
79.05490	8.5
80.28138	0.5
81.03407	6.0
81.07048	1.4
91.05479	49.1
92.05802	1.3
93.07041	100.0
94.07350	1.7
95.04964	27.6
95.08600	2.0
96.05291	0.6
97.06535	2.9
103.05465	5.2
103.85972	0.6
105.04513	10.3
107.04969	3.8
107.05572	0.6
109.06510	2.6
111.08084	2.3
121.06500	55.9
122.06805	1.0
123.04456	1.6
131.04941	2.3
137.05962	1.7
139.07547	1.5
149.05972	30.4
150.06358	0.7
163.39986	0.5
167.07047	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	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.24503	2.1
51.75488	2.3
53.03939	5.0
55.01876	3.0
55.05496	4.9
57.54869	2.2
65.03930	2.4
67.05494	14.9
69.03417	3.4
69.07063	6.0
69.20507	14.3
71.04975	7.0
77.03894	3.1
79.05493	28.3
81.03419	14.4
81.07039	8.5
83.04969	8.7
85.16306	2.6
91.05474	38.8
92.05801	5.1
93.06442	4.6
93.07042	74.3
95.04956	29.2
95.08599	14.6
97.06516	9.2
103.00640	7.5
103.05495	2.6
105.04492	9.0
105.07022	9.6
107.04944	10.7
107.06035	2.3
107.08582	27.4
108.04475	4.6
109.06508	12.6
109.10148	4.1
111.08067	3.4
116.06158	3.1
121.01662	38.0
121.06502	58.7
121.07510	5.5
121.10127	25.2
123.04429	3.1
123.08063	19.3
124.05221	22.7
125.05967	13.1
131.08560	8.1
135.04474	5.8
139.02722	12.3
139.07516	3.1
139.08595	2.2
144.03233	17.7
149.02327	6.6
149.05984	42.8
149.07091	6.4
149.09581	13.3
150.05415	3.7
151.03926	3.2
152.04755	12.4
152.06595	10.3
157.57857	2.3
162.04315	6.0
167.07019	100.0
167.08235	6.7
167.10626	40.1
167.11853	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
53.03942	2.0
54.23790	0.5
55.01862	0.8
55.05508	0.7
62.41455	0.5
62.76231	0.4
65.03929	0.7
65.34626	0.5
67.05480	0.9
68.05027	0.5
68.99804	0.7
69.07066	0.9
71.04974	0.5
71.43995	0.5
77.03908	2.9
78.04713	0.5
79.05504	2.8
81.03407	2.5
81.07055	0.9
91.05482	21.7
93.07042	50.9
94.07364	0.8
95.04968	10.3
95.08591	1.3
97.06543	1.4
98.98500	0.8
100.15593	0.5
103.00637	1.5
103.05480	2.8
105.04514	3.1
105.07027	0.7
107.04946	1.4
107.08603	2.5
108.04501	0.8
109.06520	5.8
109.10107	0.6
111.08047	0.5
119.06063	0.8
121.01662	5.8
121.06503	100.0
121.10140	1.6
122.06808	2.2
123.04437	1.2
123.05521	0.5
123.08102	0.7
125.07079	0.5
126.05495	0.7
139.02686	2.0
144.03206	3.6
149.02315	1.6
149.05974	39.9
150.06378	0.8
152.04704	0.5
162.04265	1.1
167.07028	6.1
167.08337	1.7
167.10660	1.3
167.11885	1.0
167.15543	0.6
174.17900	0.5
177.92032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
53.03944	3.0
55.01864	1.2
67.05503	0.7
69.07099	0.7
70.68047	1.2
77.03934	3.1
79.05493	11.8
81.03417	100.0
82.03745	1.3
83.04984	2.6
85.02893	2.2
91.05481	8.8
93.07043	14.2
93.07606	1.1
95.04969	7.4
97.06534	5.9
103.05450	1.8
105.04529	2.6
107.04955	5.5
109.02884	17.2
109.06499	0.8
121.06506	23.6
123.04398	1.2
125.06010	5.1
131.04974	0.9
139.07558	1.9
149.05983	24.1
149.07195	1.2
167.07021	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	167.0703
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
50.46745	0.5
53.03944	3.2
55.01861	1.4
55.05512	0.6
56.81765	0.5
67.05491	1.1
77.03912	2.6
79.05483	12.5
79.47740	0.5
80.05820	0.5
81.03412	100.0
82.03744	0.6
83.04980	2.0
85.02890	2.6
91.05473	8.1
93.07038	18.0
95.04961	7.4
97.06525	6.6
103.05456	2.1
103.15456	0.5
105.04501	2.2
107.04944	6.6
109.02869	17.8
110.03717	1.0
111.08076	1.0
121.06497	26.9
122.06855	0.7
123.04433	1.3
125.03642	0.5
125.05986	4.7
131.04898	0.6
137.12976	0.5
139.07536	1.4
149.05963	23.0
150.06337	0.6
164.13251	0.7
167.07022	6.0
172.71751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
53.03943	2.4
55.05495	3.5
57.03428	2.5
59.04987	7.6
59.16114	1.4
61.34177	1.9
63.24643	2.0
67.05499	10.5
68.99783	4.8
69.03418	3.9
69.07066	11.0
71.04983	14.3
77.03916	2.7
79.05492	22.1
81.03396	5.8
81.07056	9.5
83.04983	12.4
84.47360	1.6
84.96028	6.1
91.05472	11.2
93.07049	22.5
95.04960	37.8
95.06104	1.6
95.08610	26.2
96.05267	2.1
97.06535	21.2
98.98483	3.8
103.00629	10.5
105.07027	9.3
107.04958	2.3
107.08597	11.0
107.71324	1.8
108.04470	2.6
109.06494	3.9
109.10141	1.7
111.08043	2.4
118.59303	1.6
119.08564	1.8
120.26459	1.9
121.00821	2.6
121.01677	44.6
121.06478	7.4
121.07663	3.2
121.10139	29.1
123.04418	4.0
123.08070	30.1
124.05209	77.6
125.06019	16.2
125.09616	5.6
126.05489	2.0
131.08546	4.8
139.02696	16.4
139.11166	3.3
144.03227	29.2
144.04218	2.0
149.02348	2.8
149.06006	3.4
149.07065	4.0
149.09575	4.9
162.04231	9.8
167.06953	3.4
167.08279	6.3
167.10661	100.0
168.11116	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.55018	0.9
53.03935	2.6
55.01857	3.4
55.05513	7.9
57.03435	10.2
57.07088	0.8
59.04964	0.9
65.03931	1.8
67.05501	14.7
68.99804	2.3
69.03436	4.4
69.07066	4.8
70.06583	5.4
70.60651	1.6
71.04984	3.8
74.56773	0.9
77.03917	3.3
78.04707	1.0
79.05489	50.3
80.39962	0.8
80.67522	0.8
81.03404	2.9
81.07051	41.5
83.04970	3.9
83.08623	0.9
85.02881	1.3
85.06532	5.2
87.04488	1.4
91.05480	38.1
93.07040	100.0
94.07372	1.4
95.04961	10.3
95.08601	28.5
96.34353	1.0
97.02900	2.4
97.06521	5.8
101.37460	0.9
103.00648	1.2
103.05456	2.5
105.04514	2.8
105.07027	20.9
107.04958	8.5
107.08588	34.2
109.06518	8.0
109.10148	9.5
111.08077	11.7
114.73164	1.0
116.06230	4.1
117.07016	2.8
119.08577	26.0
121.01671	1.1
121.06489	3.7
121.10138	50.4
122.69650	1.0
123.08081	5.6
125.05978	3.2
125.09656	1.1
129.06987	2.7
131.08568	30.7
135.08037	0.9
137.09613	10.4
137.10564	1.5
139.11182	2.0
144.03178	1.1
149.09621	28.0
167.07019	2.2
167.08461	1.6
167.10678	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01868	1.0
55.05508	2.6
57.03424	1.3
57.07074	1.5
59.04987	0.9
63.77388	0.6
65.03928	3.6
67.05500	3.9
67.14288	0.6
69.03408	1.5
69.07053	1.6
69.61845	2.1
71.04977	0.9
75.04461	4.7
77.03914	2.1
78.04695	1.1
79.05482	15.4
80.71510	0.6
81.03407	1.0
81.07048	16.2
83.04970	2.4
87.04468	1.4
91.05466	12.5
93.03381	1.9
93.07033	88.4
94.07356	1.6
95.04968	5.3
95.08585	7.3
97.06540	3.0
98.22744	1.0
103.00604	0.8
103.05484	1.0
105.04536	3.0
105.07021	16.9
106.07836	1.3
107.04933	1.3
107.08575	7.2
109.06525	1.7
111.04436	1.7
111.08068	25.4
119.08549	3.4
121.01653	2.4
121.02829	1.0
121.06486	1.2
121.10130	100.0
122.10484	2.4
123.04408	0.7
123.08070	4.2
123.11693	2.8
125.05953	4.0
125.09560	0.7
131.08539	2.1
133.07588	2.3
139.10184	1.0
139.11165	9.0
144.03188	1.4
149.02296	1.8
149.09590	7.7
157.59216	0.6
167.07018	3.1
167.08270	0.7
167.10660	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	0.8
55.01869	1.4
55.05502	1.7
56.14449	0.6
57.03426	1.0
57.07059	1.5
59.05013	5.4
65.03949	0.8
67.05512	3.8
69.03429	0.9
69.07080	1.5
70.98531	0.8
73.02905	3.4
74.92204	0.6
77.03922	1.1
79.05050	1.1
79.05491	15.5
81.03419	1.0
81.07054	33.0
83.04962	0.8
85.27338	0.6
87.04472	1.0
91.05467	6.1
93.07043	30.0
93.51889	0.6
95.04958	3.3
95.08608	20.6
97.06528	5.5
103.05476	1.4
105.04505	0.8
105.07033	13.8
107.04949	2.8
107.08598	9.1
109.06519	1.9
111.08077	3.8
119.08569	2.0
121.01656	1.5
121.06537	2.9
121.10145	100.0
122.10509	1.4
122.75833	0.6
123.08085	3.5
123.11707	14.1
123.32532	0.6
125.05982	6.4
125.09673	0.7
131.08540	1.4
133.07637	2.3
139.11189	14.5
149.07167	1.1
149.09607	8.4
152.04732	0.7
167.07039	1.6
167.10681	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.18687	0.2
53.03942	1.0
54.32965	0.3
54.46444	0.3
55.01862	0.8
55.05508	4.8
57.03447	1.4
57.07074	1.7
57.68384	0.3
59.05000	5.5
65.03935	1.2
67.05499	4.0
68.99794	0.3
69.03420	2.1
69.07066	1.9
71.05003	0.5
73.02915	1.9
75.04480	1.3
77.03919	1.2
78.04701	0.5
79.05486	18.4
81.03417	0.5
81.07051	31.9
82.07372	0.4
83.04974	5.2
83.08611	1.5
85.06532	0.5
87.04460	1.0
91.05473	9.1
93.03411	0.5
93.07037	49.9
94.07392	0.9
95.04975	3.6
95.08598	14.9
96.08922	0.3
97.06519	5.1
97.10177	0.6
103.05468	1.5
105.04535	1.3
105.07024	17.5
106.07862	0.8
107.04946	1.5
107.08582	7.1
107.09258	0.6
109.06492	2.3
109.10142	0.5
111.04462	0.4
111.08070	11.6
119.08580	3.2
121.01644	0.6
121.06538	1.8
121.10133	100.0
122.10458	2.0
123.04421	0.3
123.08069	3.6
123.11700	10.3
123.30325	0.3
124.11981	0.3
125.05982	6.1
125.09599	0.9
131.08592	1.3
133.07600	2.1
139.11165	12.6
140.11525	0.3
144.03223	0.4
149.02301	0.4
149.09605	6.4
149.13249	0.3
167.07002	2.0
167.08307	0.6
167.10655	7.1
167.14278	1.4
189.41475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	5.0
55.01867	4.2
55.05510	83.1
57.03428	4.5
57.07066	4.7
59.04996	8.4
65.03939	5.9
67.05502	30.4
68.99770	1.6
69.03429	65.3
69.07063	19.8
69.58352	4.8
70.06582	2.6
71.04992	4.8
71.13416	1.3
77.03929	5.6
78.04696	1.9
79.05489	47.3
81.03420	5.4
81.07056	33.7
81.07508	2.6
81.71494	1.2
83.04979	86.7
83.08620	26.9
85.06551	7.2
85.61953	1.2
89.13482	1.3
89.62752	1.2
91.05478	30.1
93.03402	3.0
93.07041	100.0
94.07372	2.5
95.04964	19.5
95.08600	28.8
96.08934	1.7
97.02891	86.9
97.06522	15.1
97.10150	9.7
98.98508	1.3
99.08116	2.3
103.00624	3.1
103.05468	2.1
105.04519	5.7
105.07024	20.8
107.04961	7.1
107.08584	30.4
109.06490	6.6
109.10154	14.1
111.04449	6.6
111.08075	25.8
112.08872	5.1
113.09660	2.0
116.06239	2.0
119.06070	1.9
119.08585	5.2
121.01637	8.9
121.06503	20.2
121.07358	2.1
121.10138	69.0
123.04425	2.1
123.08060	15.5
123.11693	7.0
125.06004	5.8
125.06942	1.4
125.09631	11.9
129.06998	1.4
131.08559	13.7
133.07718	1.4
137.08542	1.2
137.09598	2.0
139.02704	3.6
139.11206	3.6
144.03195	6.2
145.67992	1.3
149.02348	2.3
149.05978	8.1
149.07030	2.2
149.09612	29.1
149.10806	1.5
149.13257	4.3
152.04701	1.7
162.04384	1.6
167.03349	1.6
167.06998	14.9
167.08261	2.2
167.10661	20.7
167.11971	2.2
167.14319	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01868	4.5
55.05508	80.0
56.05851	1.1
57.03434	4.7
57.07069	4.4
59.05003	8.1
65.03928	3.7
67.05502	15.3
69.03423	24.3
69.07069	9.3
71.01353	1.2
71.04985	2.9
74.78015	0.8
75.04454	1.5
77.03915	1.6
79.05485	20.5
81.03394	2.6
81.07055	28.1
82.46280	0.8
83.04976	100.0
83.08611	29.4
84.05289	1.3
85.06538	7.1
91.05471	11.1
93.03383	1.4
93.07037	54.4
94.07348	1.1
95.04969	4.8
95.08604	13.1
97.02892	1.1
97.06523	6.0
97.10154	8.8
98.98427	1.1
99.04472	1.0
99.08070	1.9
103.00568	1.3
105.04509	1.6
105.07019	10.1
107.04937	3.2
107.08588	24.9
109.06518	3.7
109.10151	15.9
111.04406	1.5
111.08074	28.7
112.08881	6.0
113.09618	3.0
119.05989	1.1
119.08572	2.5
121.01682	7.3
121.02479	1.0
121.02870	1.2
121.06508	4.8
121.07664	1.1
121.10136	45.1
122.10440	1.1
123.04408	2.1
123.08062	5.3
123.11699	10.2
125.05988	2.7
125.09615	13.6
126.37164	0.9
131.08559	4.9
137.09665	1.1
139.02646	2.8
139.11154	2.9
144.03180	5.3
149.02307	3.1
149.05966	2.1
149.07095	1.1
149.09616	11.7
149.13242	4.2
162.04323	1.8
167.03343	1.2
167.07025	10.3
167.08231	1.4
167.10645	10.7
167.11902	1.5
167.14299	32.5
175.09645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03939	0.5
54.61928	0.3
55.01868	0.9
64.61663	0.3
65.03935	5.2
67.05487	0.9
68.02611	0.3
68.99778	3.6
69.98486	0.6
71.04977	0.5
75.19889	0.3
79.05508	0.4
81.03417	1.2
81.07041	1.0
82.06519	0.3
84.02135	0.3
85.02901	0.6
85.94599	0.5
89.43172	0.3
91.05478	0.9
93.03414	2.0
93.07030	0.5
94.50868	0.3
95.04967	0.5
95.08602	1.1
97.02885	1.2
98.03668	3.3
109.02909	1.6
109.06521	0.7
110.03657	0.8
111.00793	26.2
111.04434	6.5
112.01118	0.4
113.05992	0.6
115.05442	5.0
123.04447	0.5
123.08055	0.7
125.02361	0.6
125.05975	1.7
126.03121	32.1
131.16469	0.3
133.06418	0.3
141.05449	100.0
142.05717	1.5
142.06694	2.6
151.03900	1.0
151.07552	0.8
151.08652	1.3
163.97723	0.7
169.04948	42.6
169.07428	1.4
170.06041	9.9
170.09587	0.5
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	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03946	0.9
55.01868	0.8
55.05500	2.9
56.96559	1.1
59.30459	0.4
65.03934	71.7
66.00755	0.5
66.04279	0.5
67.05498	9.7
69.03423	1.5
70.06593	1.8
71.80583	0.4
79.05491	4.7
79.75713	0.5
81.03417	3.3
81.07050	7.4
82.06574	0.4
83.04975	10.3
83.06069	2.1
85.02883	1.0
85.94602	0.8
91.05490	2.8
92.05017	0.5
93.03397	29.6
93.05826	0.5
93.07044	3.9
94.03720	0.5
95.04956	6.5
95.06020	0.6
95.08596	13.2
96.06869	0.8
96.08096	1.0
97.06528	1.0
97.07601	1.0
103.05445	0.6
103.95627	0.8
104.17933	0.4
105.04505	0.6
105.07025	7.6
107.04959	1.2
107.08589	0.6
108.02094	0.9
108.05734	0.7
109.02884	2.8
109.06502	7.5
109.07631	2.4
109.10162	0.5
110.03652	12.7
111.04431	100.0
112.04790	1.8
117.03842	0.5
119.01943	0.9
121.06489	1.6
121.08437	2.0
122.08777	0.6
123.04435	3.6
123.08057	18.2
124.07600	1.8
124.08701	15.1
125.05979	28.3
126.03096	0.5
133.06491	5.3
133.07445	0.8
134.06007	2.6
136.05200	0.7
141.05473	1.5
151.02713	0.5
151.03900	18.7
151.04994	2.0
151.07526	23.5
151.08604	1.3
152.07008	3.3
154.02562	0.7
163.97655	0.7
169.04945	6.3
169.07448	0.5
169.08632	4.5
169.09818	0.6
169.13367	0.7
170.08089	1.6
170.09418	1.7
186.99408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32655	2.3
59.10315	2.5
62.11175	2.7
67.33315	2.6
70.64605	3.4
95.95043	2.8
111.94860	2.8
119.23360	2.5
124.03713	9.0
124.45799	2.4
138.79326	2.6
151.04774	100.0
152.03191	35.4
169.05907	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	169.0859
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03947	1.0
55.05508	9.7
55.43792	0.6
65.03944	1.0
66.37666	0.5
67.05499	35.2
69.03409	1.4
69.94366	2.1
71.04983	1.0
77.03917	0.7
79.05042	1.0
79.05488	14.7
81.03404	2.2
81.07051	31.7
81.64914	0.7
83.04974	2.1
83.08595	0.8
91.05480	10.5
93.07036	12.8
95.04955	4.3
95.08599	100.0
96.08933	2.0
97.06524	2.4
99.04454	0.6
103.05450	1.3
105.04493	1.0
105.07022	22.8
107.04947	1.4
107.08585	6.4
109.05768	0.9
109.06515	17.9
109.10195	0.9
111.08064	1.7
119.06055	1.1
121.10152	0.6
123.00820	1.5
123.04423	1.6
123.08062	22.3
123.11691	3.1
125.05948	1.5
125.09634	1.3
133.06473	5.6
141.05420	1.7
141.07042	0.7
151.07526	12.6
151.11136	0.8
169.08696	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	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03941	1.1
55.05501	6.5
65.03942	8.3
67.05502	28.2
67.52877	0.7
68.05824	0.8
69.03439	0.9
69.07080	0.8
69.94962	0.9
69.95287	1.6
73.73946	0.7
74.80393	0.7
77.03934	0.8
79.05486	13.1
81.03407	1.3
81.07053	25.3
83.04974	1.6
85.06516	0.7
91.05473	7.3
93.03392	4.0
93.07040	13.7
95.04965	3.3
95.08600	100.0
96.08932	1.8
97.06506	1.2
97.27939	0.8
103.05456	0.8
105.07029	20.3
107.04946	1.5
107.08573	2.3
109.06512	16.4
110.03627	1.1
111.04443	7.9
122.07330	0.9
123.04427	2.3
123.08057	18.6
125.05996	2.7
133.06500	5.0
141.05429	1.6
141.06940	1.7
151.03909	1.4
151.07549	13.0
169.08632	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03931	1.8
55.01859	1.8
55.05514	6.5
60.94273	1.2
65.03938	2.5
67.05504	31.3
69.03430	5.7
69.15463	8.9
79.05489	21.4
81.03428	5.8
81.07053	40.7
83.04979	32.7
91.05483	7.0
93.03426	2.0
93.07051	15.6
95.04970	3.4
95.08605	100.0
96.08917	3.1
97.06550	1.9
103.91634	1.4
105.07032	26.6
107.08575	2.5
109.06518	22.2
111.04453	3.7
123.08070	28.5
125.05988	10.8
127.07615	1.9
133.06496	6.1
151.07520	16.0
169.08723	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	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.09277	1.5
53.03941	1.8
55.05519	9.7
56.96572	2.5
65.03939	27.1
67.05507	32.0
69.03436	10.8
69.07077	1.4
69.59368	7.0
70.16296	1.4
79.05489	40.6
81.03407	13.6
81.06573	3.3
81.07057	61.1
83.04980	92.4
84.15122	1.4
85.02919	2.2
90.93254	1.5
91.05481	14.5
93.03405	12.0
93.07045	20.9
95.04979	7.9
95.08603	100.0
97.07682	2.2
103.05550	1.6
103.95625	1.8
105.04565	1.7
105.07032	35.4
107.04974	3.6
107.08611	3.7
109.02919	2.2
109.06515	27.2
109.07637	3.8
109.56232	1.3
110.03661	4.1
111.04442	38.4
114.61906	1.6
119.01955	5.7
121.06429	2.4
123.04504	2.3
123.08065	54.3
124.07753	2.2
124.08713	19.0
125.05983	30.9
127.07553	5.9
133.06467	13.0
134.06029	5.4
141.05449	3.2
151.03926	5.7
151.07535	34.7
151.08688	2.4
152.06990	10.7
155.05315	2.8
163.97687	2.0
169.04933	3.9
169.08578	3.8
169.09857	1.6
170.09319	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.96308	1.4
55.05513	8.8
57.03469	1.8
64.72326	1.5
64.76522	1.4
65.03943	17.4
67.05507	30.1
69.03433	5.6
79.05495	21.6
81.03413	12.6
81.07060	47.6
83.04979	34.1
91.05473	9.6
93.03412	12.9
93.07053	15.5
95.04952	7.4
95.08607	100.0
96.08925	1.8
97.06524	2.2
105.07031	28.7
106.07396	2.2
107.08604	2.5
109.06518	20.0
110.03703	3.6
111.04448	16.9
123.08076	36.3
125.05992	19.4
127.07545	2.1
133.06476	5.2
141.05438	1.9
151.03949	3.4
151.07556	19.1
169.08545	2.0
178.30273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
51.03231	2.6
53.03925	2.2
54.34905	2.4
55.01855	3.4
55.05504	13.3
56.96556	3.2
57.21985	2.5
59.04992	2.7
67.05508	15.1
69.03426	100.0
69.03805	5.2
69.07055	4.2
69.79570	6.6
71.04973	12.0
79.05495	10.5
81.07053	54.9
85.06545	5.4
89.08244	2.3
91.05492	9.9
93.07027	26.0
95.04961	14.0
95.08630	12.6
97.06517	16.6
98.23357	2.9
105.07068	12.6
107.08585	26.2
109.06522	36.5
109.10158	9.2
111.56572	2.6
113.31680	2.6
121.10148	9.2
123.08086	11.0
123.11717	13.2
133.10094	10.3
135.42540	2.3
139.11172	24.7
140.87926	2.3
141.05418	3.0
151.08620	6.0
151.11137	21.0
151.12158	2.6
154.07693	4.2
169.07655	4.9
169.10100	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	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03934	2.7
55.01857	1.2
55.05260	1.1
55.05510	17.3
57.03429	1.3
57.07074	8.3
59.04980	2.1
65.03934	4.2
67.05501	32.1
67.05863	1.8
67.21854	0.8
69.03429	4.0
69.07066	10.2
69.69301	2.3
71.01363	1.0
71.04989	6.9
77.32409	0.8
79.05482	15.1
81.07051	100.0
82.07384	2.1
83.08606	2.1
85.06532	7.8
89.76477	0.8
91.05476	3.8
93.03393	1.0
93.07032	8.5
95.01305	1.1
95.04952	13.3
95.08604	18.0
96.64205	0.9
97.06504	1.2
97.10162	2.9
99.04456	1.5
99.08085	0.9
105.07040	5.3
106.95390	0.8
107.08559	4.5
109.02903	0.8
109.06506	7.7
109.10143	12.5
111.04401	1.7
111.08067	2.8
113.05990	1.7
121.10105	2.9
123.00777	5.9
123.04426	1.5
123.08044	2.2
123.11698	48.9
124.05185	1.0
124.12009	1.1
125.09608	3.2
127.07529	1.0
128.33289	0.8
133.10118	2.6
137.02293	0.9
137.55481	0.8
138.06750	4.2
139.03889	3.5
139.11224	0.9
151.11147	5.8
154.06233	13.8
156.85237	0.9
169.08681	4.2
169.09825	0.9
169.12256	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	169.1223
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	2.5
55.05510	22.5
55.61163	0.6
57.03431	1.8
57.07070	5.0
59.04984	1.4
60.12218	0.6
65.03947	3.0
65.45510	0.5
67.05503	29.7
69.03417	3.0
69.07066	10.9
69.60208	1.3
69.60607	1.3
71.04990	8.4
79.05489	13.8
79.88110	0.5
81.07053	100.0
82.07394	1.7
83.08625	1.4
85.06539	5.9
91.05466	3.2
93.07043	8.5
95.04971	9.6
95.08604	18.8
97.06558	0.9
97.10162	2.7
99.04469	1.0
99.08107	1.0
105.04521	0.7
105.07019	4.4
107.08584	2.9
109.06492	4.4
109.10157	4.8
111.08084	4.4
121.10149	0.6
123.08065	1.5
123.11701	13.6
125.09632	0.6
127.11209	1.8
133.10147	1.3
147.88974	0.6
151.11206	1.5
153.80405	0.6
167.76755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03937	2.4
55.01865	1.0
55.05508	21.5
57.03432	1.0
57.07074	4.8
59.04994	0.9
65.03929	1.9
67.05502	27.8
69.03416	1.7
69.07069	6.1
69.32944	0.9
69.33349	2.0
71.01343	0.6
71.04985	7.9
71.62617	0.5
79.05486	14.8
81.07052	100.0
82.07389	1.3
83.08604	1.5
85.06544	4.4
89.99728	0.6
91.05451	2.7
93.07043	9.3
95.04967	8.7
95.08603	20.5
97.06477	1.0
97.10171	3.6
99.04446	1.7
99.08092	0.7
105.07025	5.0
107.08588	3.3
109.06532	3.7
109.10148	2.9
111.08099	2.6
113.06007	0.8
114.00612	0.6
121.10163	0.8
123.08054	1.7
123.11699	14.5
133.10153	2.1
135.67773	0.6
151.11133	3.1
169.07635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01873	0.5
55.05510	21.6
57.03431	1.4
57.07072	5.0
58.97120	0.5
59.04995	1.6
63.57061	0.5
65.03926	1.6
67.05502	27.6
69.03431	2.1
69.07062	8.6
69.07403	0.8
71.01360	1.0
71.04990	7.6
73.40131	0.5
79.05491	13.2
81.07054	100.0
82.07387	1.3
83.08627	1.4
83.68119	0.5
85.06535	3.4
89.06049	0.5
91.05472	2.6
93.07040	7.7
94.07819	0.5
95.04964	10.1
95.08602	22.7
97.10155	2.6
99.04461	1.7
99.08092	1.1
105.07021	4.0
106.58872	0.6
107.08588	3.8
109.06520	7.6
109.10163	3.8
111.08076	1.5
113.06007	3.1
119.69946	0.5
121.10137	1.3
123.08060	2.0
123.11700	35.2
124.12057	1.1
127.07600	0.8
133.10161	1.5
151.11157	4.4
155.23038	0.5
167.88301	0.6
169.12256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03939	1.7
54.08174	0.6
55.01852	0.8
55.05260	0.9
55.05508	15.2
57.03432	1.6
57.07067	4.7
58.44561	0.6
59.04995	1.4
65.03948	3.4
67.05501	29.9
69.03424	3.9
69.06704	1.0
69.07061	9.3
69.19907	3.1
71.01360	1.5
71.04991	7.7
79.05489	15.5
81.07052	100.0
82.07395	2.3
83.04994	1.0
83.08622	0.8
85.06534	4.7
91.05488	5.9
93.03420	1.1
93.07041	13.4
94.04236	0.7
95.01340	1.8
95.04958	10.1
95.08604	16.8
97.06525	1.3
97.10162	2.2
99.04474	1.5
105.04568	0.7
105.07010	6.6
107.08572	4.4
109.06518	8.2
109.10146	10.1
111.04436	2.3
111.08094	2.4
113.05998	1.8
118.96661	0.6
121.10130	4.0
123.00785	6.9
123.04447	1.0
123.08079	1.6
123.11699	32.7
125.09589	1.6
127.07592	0.7
133.10110	4.5
137.02374	2.0
138.06718	4.3
139.03883	3.5
139.11185	1.7
141.01834	1.3
141.05528	0.7
151.11162	8.7
152.89177	0.7
154.06241	9.0
169.08710	3.1
169.12239	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	169.1223
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
53.03939	1.8
53.43738	0.5
53.67700	0.5
55.05509	16.1
57.03435	2.4
57.07065	5.6
59.04994	1.3
65.03937	1.8
66.04706	0.6
67.05500	27.2
69.03418	3.5
69.07065	7.3
70.50724	1.4
71.01351	0.9
71.04996	7.9
71.08649	0.5
75.21527	0.6
75.29098	0.5
79.05482	14.4
81.03410	0.6
81.07052	100.0
82.07388	2.0
83.04970	0.8
83.08608	1.4
85.06539	3.4
91.05493	4.6
91.43527	0.5
93.07034	11.0
95.04961	9.9
95.08603	22.9
95.09220	1.3
97.06561	1.3
97.10175	1.7
99.04454	2.9
99.08096	1.2
105.04517	0.6
105.07040	5.3
107.08578	5.3
109.06514	9.2
109.10157	6.9
111.08074	2.3
113.06008	3.5
121.10133	3.0
123.08066	1.7
123.11696	43.6
124.12041	0.8
125.09654	1.0
133.10123	3.1
141.06946	1.1
151.11159	6.1
154.07741	1.6
169.07593	1.3
169.10078	1.9
169.12227	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
55.05509	12.8
57.03409	3.2
57.07065	3.9
67.05500	15.5
69.03426	100.0
69.07059	5.9
71.04986	11.7
71.42813	3.0
79.05486	12.2
81.07051	53.6
83.04983	3.1
85.06557	2.6
91.05462	10.6
93.07034	32.2
95.04958	21.4
95.08598	10.2
96.05751	3.3
96.62949	3.0
97.06519	13.9
105.07016	17.9
107.08589	21.0
109.06510	45.1
109.10137	13.6
121.10146	9.2
123.08034	10.2
123.11699	15.4
130.85689	3.1
133.10097	10.0
139.11168	35.4
141.05460	2.9
141.06949	4.8
151.08553	3.2
151.11147	15.0
153.06905	3.8
154.07753	10.4
169.07576	6.9
169.10133	30.1
169.12233	3.2
170.10834	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	171.1166
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.25533	0.5
55.05504	3.5
69.07074	0.5
71.43630	0.8
72.04507	13.2
74.03578	0.5
83.08624	3.9
89.07140	8.8
111.52299	0.5
115.05460	1.2
128.06210	10.7
129.07027	4.5
141.06975	18.1
142.07805	3.0
143.08542	18.4
153.06927	1.7
155.05981	0.7
155.08543	6.7
156.09331	100.0
157.09673	3.1
169.10020	0.8
171.08078	10.8
171.11668	99.5
171.14819	7.9
172.11977	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	171.138
Annotation	8-Methyl-6-nonenoic acid
Peak:m/z	Relative Intensity
55.05509	33.4
57.03428	0.8
57.07071	8.1
67.05491	4.1
69.03417	4.1
69.07066	100.0
71.04972	2.1
72.04515	11.4
73.06552	1.0
79.05476	1.4
81.07051	10.0
83.08617	40.0
89.07158	5.9
91.05476	2.3
93.07037	7.9
95.08598	18.7
97.06530	15.3
97.10178	3.5
107.08590	8.2
109.10151	6.4
111.08072	6.3
119.44031	0.8
125.13245	4.1
128.06210	1.1
135.11699	8.9
141.06961	1.0
143.08562	1.4
153.12737	8.9
156.09349	3.9
170.58195	0.9
171.11685	4.7
171.14931	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	172.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
57.03428	11.6
70.06612	1.0
71.08627	28.8
71.24084	0.8
84.04490	8.3
85.02900	95.7
88.11263	100.0
98.06036	1.6
102.05531	4.5
124.41852	1.0
127.74706	0.8
136.80026	0.8
172.13310	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.2
60.01515	0.5
69.21319	3.2
70.06577	1.0
71.08624	17.8
72.00587	0.5
78.53828	0.6
78.86134	0.4
84.04506	3.1
85.02897	67.8
86.03270	0.5
88.11260	100.0
89.11594	0.9
98.06047	2.6
98.88749	0.5
102.05527	0.7
116.07063	0.8
172.13309	30.6
173.13611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0809
Annotation	Cleroindicin D
Peak:m/z	Relative Intensity
52.67441	1.4
53.03930	2.4
55.05506	83.8
55.93500	5.3
56.05853	1.5
56.96544	6.0
58.82937	1.3
59.05001	16.5
65.03291	1.2
67.05482	3.4
69.03415	5.1
70.93590	2.0
70.95856	16.4
72.93783	100.0
73.02872	1.9
73.06528	1.7
80.81775	1.4
83.04971	88.6
84.05275	1.7
85.06538	2.4
87.04446	5.4
88.96893	1.8
89.02383	8.6
89.94018	5.0
89.96284	1.6
90.90374	23.1
90.94820	85.0
92.48811	1.3
99.04447	4.5
101.06009	59.4
103.03320	3.0
103.31193	1.4
108.91371	2.7
108.95850	24.5
111.04434	81.9
111.98469	10.6
113.05990	8.3
113.96405	11.6
116.98556	1.8
125.96075	4.2
127.07547	10.6
129.04568	2.4
129.05469	37.2
129.99477	4.8
131.92960	5.7
131.96088	1.9
131.96410	2.2
131.97430	21.2
132.95816	25.7
137.05905	2.4
146.89894	1.5
147.06459	1.6
149.94067	19.5
149.96046	25.3
149.97110	5.6
149.98378	10.2
150.96878	41.2
155.07016	67.9
155.97429	10.1
167.97073	27.5
168.97862	2.2
171.79230	1.7
172.94231	2.7
173.05832	3.1
173.08083	81.5
173.98500	12.3
190.95294	3.5
193.34744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01887	2.2
55.05506	43.2
56.09840	2.0
57.03419	2.6
57.07045	2.1
59.04982	5.5
67.05500	100.0
69.03425	12.7
69.07059	8.8
71.04980	7.8
71.43909	1.8
72.93776	11.8
73.02922	3.7
79.05495	4.1
81.03405	11.4
81.07053	16.9
83.04971	31.6
85.02876	5.3
85.06567	2.1
87.04462	4.6
90.94818	7.4
91.05479	15.4
93.07019	11.2
95.04952	11.0
95.08598	38.9
99.04427	4.7
101.06011	21.9
105.07011	5.6
107.08587	4.0
109.10147	100.0
111.04433	36.2
113.06050	4.3
115.05447	3.6
117.06992	10.1
119.08604	13.5
119.55634	2.1
127.07543	4.2
128.06204	2.3
129.05479	11.4
129.06990	3.3
131.08560	9.0
137.09619	13.5
143.08522	6.0
145.06493	5.1
145.10129	14.1
155.06004	2.8
155.07066	21.9
155.08391	4.4
155.10649	4.5
158.07256	2.5
158.10947	5.4
167.97255	2.5
173.05959	7.2
173.08128	33.0
173.09613	9.9
173.13187	14.0
183.71545	1.8
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
53.03939	3.2
55.01862	12.5
55.05504	36.5
57.03437	4.0
57.07066	2.3
57.10792	2.1
59.04991	8.1
67.05502	100.0
69.03423	15.6
69.07066	8.6
71.04996	29.0
71.37509	2.0
72.04507	2.9
72.93786	5.4
73.02908	4.0
79.05489	7.3
81.03407	6.3
81.07047	16.9
83.04980	24.7
85.02914	13.7
85.06541	3.1
86.03244	3.9
87.04456	3.0
88.11265	4.4
89.11603	6.8
90.94827	5.7
91.05481	26.9
93.07037	26.1
95.04951	14.4
95.08600	96.2
96.08920	2.2
99.04436	5.1
101.06005	21.1
109.06536	3.2
109.10153	85.2
111.04439	31.7
111.08059	21.3
113.05988	5.6
115.05408	3.1
117.07002	4.3
119.08587	16.4
127.07571	4.0
129.05504	6.8
131.08575	7.5
133.85919	1.9
137.09613	20.1
143.08539	2.4
145.10086	2.9
155.06996	18.8
155.10672	3.3
158.10889	2.3
173.05965	6.1
173.08148	21.9
173.09500	3.8
173.13347	8.4
174.83730	2.0
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
50.09178	0.6
55.05259	0.9
55.05511	14.4
57.07065	0.7
59.04995	2.5
67.05511	3.3
69.44164	1.9
69.44571	1.4
71.33257	0.6
72.93787	4.6
76.02203	0.9
79.05479	1.3
79.35592	0.6
81.07041	0.8
83.04981	12.3
87.04470	1.5
87.07136	0.7
89.02382	1.4
90.90375	3.7
90.94820	3.4
91.05477	7.3
92.38192	0.6
95.06097	0.9
101.06018	7.1
103.03274	1.9
105.07029	10.1
108.95866	1.3
111.04440	12.4
113.06062	1.5
115.05447	1.4
116.06222	1.4
117.07010	5.7
118.08627	0.9
119.08591	12.1
127.07520	0.9
128.06230	2.1
129.05493	5.4
129.06990	11.1
130.07793	4.5
131.04909	1.0
131.08563	33.1
131.92967	0.9
132.06528	0.7
132.08926	0.8
133.10095	3.1
142.07733	1.4
143.08551	20.7
144.09355	13.5
145.06480	1.9
145.10121	48.3
146.10396	0.9
149.94044	3.4
149.96046	0.8
155.05859	1.3
155.07033	10.6
156.09293	1.8
157.10100	1.5
158.07277	2.1
158.10905	32.1
159.11218	1.2
167.95081	0.8
167.97139	1.5
171.11696	1.9
173.05971	6.5
173.08180	11.3
173.09674	5.8
173.13252	100.0
173.17285	2.8
174.13568	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.01596	0.4
50.86709	0.5
55.05507	3.9
57.03416	0.5
57.07063	1.5
59.04981	0.7
67.05502	2.9
69.08248	0.5
70.06576	0.5
76.02248	0.5
79.05495	3.9
81.07048	4.4
83.04973	3.5
91.05477	16.1
92.05795	0.5
93.07041	3.0
95.08609	2.1
101.06011	1.8
103.03293	1.0
103.05418	0.5
105.07021	10.5
107.08578	1.3
111.04429	3.3
113.04006	0.5
115.05464	1.6
116.06232	1.4
117.07012	16.0
119.08571	4.5
127.07450	0.4
128.06255	0.5
129.05502	1.0
129.06999	6.2
130.07823	2.6
131.08559	100.0
132.08807	2.1
133.10057	0.4
143.08559	1.6
144.09308	2.1
145.07622	0.5
145.10114	18.7
146.10429	0.5
155.07071	2.0
158.10883	1.7
163.98157	0.4
171.11674	1.2
173.05931	1.2
173.08266	2.7
173.13249	77.7
174.13719	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	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
52.44361	0.4
53.03933	0.6
55.01873	2.5
55.05509	18.5
56.05040	1.3
56.05849	0.5
57.03432	1.5
57.07071	4.1
59.04997	1.2
60.66806	0.4
67.05501	4.5
69.07065	39.4
69.57710	2.1
70.06593	0.9
71.04986	1.0
71.08632	0.6
72.08166	0.5
73.06538	1.2
79.05489	7.4
81.07051	6.9
83.04985	5.2
83.08602	0.9
87.04482	0.9
91.05466	1.1
93.07037	14.4
95.08604	9.4
97.06530	6.2
97.10168	14.1
98.22750	1.0
98.98469	1.8
101.05988	0.6
105.07006	1.1
111.11713	1.9
115.11234	0.7
119.08592	1.6
121.10138	10.0
132.95844	0.5
133.10149	0.4
138.12793	2.7
139.11177	5.2
156.13831	100.0
157.14166	2.4
163.78453	0.4
171.95676	0.5
174.08514	0.6
174.14890	28.1
175.14928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30804	0.2
55.05502	0.2
69.04527	0.3
69.07092	0.8
69.80099	0.3
69.80497	0.4
70.06594	0.2
79.05474	0.2
80.05018	0.7
81.07050	0.2
91.05470	1.4
93.07056	0.3
95.08586	0.3
96.87654	0.2
98.23305	0.2
98.98477	1.8
105.04526	1.3
105.07026	1.5
106.06544	1.6
107.06110	1.1
107.08617	0.2
108.06850	0.8
115.05441	0.3
117.07064	0.2
118.05276	0.4
119.05000	0.4
119.06065	0.9
119.08577	3.6
120.05563	0.8
122.07101	0.3
129.06987	0.4
131.06009	1.0
131.08554	0.3
132.05566	0.6
133.06349	4.3
133.07579	1.3
133.10136	2.7
134.07141	3.7
135.05518	0.3
144.05730	0.2
145.10114	0.4
146.07126	4.1
147.06647	7.1
147.11671	0.6
148.07492	0.3
148.08678	1.9
157.06361	0.4
158.07120	4.1
159.07913	6.5
160.05151	0.4
160.12437	0.2
164.05728	0.2
173.08249	0.2
174.09024	3.2
175.09781	100.0
175.14758	3.3
176.10176	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03961	0.7
54.96857	0.4
55.01877	1.2
55.05506	2.4
55.10055	0.5
57.03435	20.1
59.61187	0.5
59.81630	0.4
60.05661	0.9
62.25566	0.5
65.03957	1.5
67.05503	10.6
69.03426	0.7
69.07088	1.4
69.43409	2.4
70.06586	3.2
74.43043	0.5
77.01655	0.5
77.03929	0.5
79.05499	5.5
81.07076	1.5
91.05476	16.9
92.05866	0.7
93.07063	2.0
95.04960	11.3
95.05527	0.8
95.08576	0.7
98.22706	1.1
98.98465	13.7
98.99084	0.9
103.05463	1.0
105.04568	0.5
105.07025	22.3
105.07733	1.1
106.07326	0.5
107.04945	8.9
107.08620	2.1
115.05482	0.8
116.06248	1.6
116.07053	0.6
117.07007	6.1
118.07841	0.7
119.04965	1.2
119.08578	46.5
120.08899	1.0
121.01036	0.5
121.06496	3.6
128.06187	2.5
129.06995	5.0
131.04944	3.9
131.08591	2.8
132.05710	1.8
133.06485	27.9
133.10120	10.1
134.06778	0.5
135.08063	2.1
141.07001	0.8
142.07768	7.0
145.06483	10.0
145.07576	0.7
145.10135	2.0
146.07262	35.8
147.08044	69.0
147.11674	13.5
148.08388	1.4
148.66263	0.5
157.07599	2.4
157.10132	7.8
160.08820	8.5
173.09657	0.8
175.11172	100.0
175.14694	6.7
176.11478	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.81430	0.3
54.88396	0.3
55.05528	0.4
60.05649	37.2
70.06592	100.0
70.17317	0.4
70.17644	0.8
71.04995	2.9
71.06099	0.3
71.06933	1.0
72.08154	4.3
74.36787	0.3
84.08125	0.5
85.01397	0.7
88.07662	0.8
97.07636	0.5
98.06086	0.6
98.98468	4.9
101.00870	2.0
103.02452	1.6
112.08731	3.6
113.07146	0.4
114.10297	1.0
115.02483	0.7
115.08698	1.0
116.07092	26.1
116.97232	0.4
117.07484	0.4
119.01929	3.6
121.01637	0.5
121.03490	0.5
130.08789	0.8
130.09764	11.1
133.03468	3.5
133.05153	0.4
137.02907	0.9
144.13800	0.6
145.03464	0.9
151.04564	1.3
157.10867	1.1
158.09253	6.4
158.12877	1.3
175.04547	6.1
175.06139	0.7
175.11903	21.6
176.16440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95306	0.4
56.15206	0.3
60.05648	36.4
65.66306	0.3
70.06590	100.0
70.81657	0.6
71.04986	1.6
71.06920	1.4
72.08160	4.3
76.12703	0.4
84.08141	1.1
94.49453	0.3
97.07655	0.7
98.06073	0.5
112.08723	4.6
113.07087	0.5
114.10290	0.5
115.08689	0.6
116.07088	25.6
130.09752	11.6
141.06523	0.5
157.10878	0.9
158.09253	6.2
175.11897	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	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90991	0.3
57.02357	0.3
57.07064	0.5
60.05645	35.0
60.08161	1.8
67.05501	1.0
69.89064	0.4
70.06586	100.0
71.04984	2.0
71.06932	1.1
72.08146	4.4
84.08140	0.9
85.06524	2.4
85.06894	0.2
88.07610	0.6
97.07635	0.4
98.06051	0.9
98.98456	4.4
101.00864	1.8
103.02448	0.6
112.07587	0.5
112.08717	4.1
113.07131	0.5
114.10295	1.0
114.86039	0.3
115.02418	0.6
115.08698	0.9
116.07080	26.4
116.18008	0.3
119.01909	6.7
120.02057	0.4
121.01643	0.4
127.61726	0.3
130.09750	12.3
130.61888	0.3
132.02097	6.6
133.03452	2.5
137.02907	1.7
144.13829	5.3
145.03439	0.4
147.96059	0.3
151.04547	0.4
157.10825	1.3
158.09242	6.9
159.55888	0.3
173.23006	0.3
175.04530	3.0
175.11888	20.3
176.01079	1.0
176.16449	3.1
183.31065	0.3
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
55.05510	6.6
60.05634	1.0
67.05495	2.1
69.07061	8.5
70.06580	1.9
70.07505	2.7
79.05482	2.5
81.07052	6.4
83.08616	1.0
86.78916	0.9
91.05472	11.8
92.05760	0.9
92.90443	0.8
93.07011	4.1
95.04992	1.1
95.08604	5.2
98.98462	36.5
102.82272	0.8
105.07029	30.2
107.08575	5.8
115.05403	1.0
116.07057	1.3
116.97243	1.8
117.07006	3.2
119.08574	63.5
121.10130	1.6
131.08549	10.9
133.10121	86.4
134.10454	1.7
145.10121	6.0
146.10869	5.1
147.08087	1.4
147.11674	16.9
151.93944	1.3
157.04189	1.1
157.06352	1.3
157.10095	3.0
159.11678	1.1
160.12486	2.1
173.13260	1.8
175.07477	2.2
175.08698	1.2
175.09846	1.8
175.11211	5.7
175.14813	100.0
176.15198	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05508	10.2
56.05858	0.7
57.07058	1.3
59.04991	3.7
61.01126	0.6
65.03926	0.6
67.05501	2.6
69.07066	25.1
70.06593	2.0
70.07394	2.1
70.07788	0.6
70.83070	0.8
74.35758	0.5
77.00601	7.6
78.98519	0.8
79.05483	2.3
81.07050	5.8
82.07407	0.6
83.08625	4.1
86.09715	0.7
91.05482	10.7
93.03718	2.0
93.07048	4.1
95.01643	22.0
95.08604	4.8
96.99559	1.7
98.98463	32.1
99.02647	6.0
100.44801	0.6
101.04242	0.8
105.04522	0.6
105.07027	23.2
106.07350	0.9
107.08610	5.2
109.03181	3.9
113.02726	0.9
115.05463	1.0
115.10722	0.5
116.97208	1.4
116.99511	1.3
117.03716	5.1
117.07021	3.2
118.00848	1.2
119.01606	1.9
119.08575	88.0
120.08924	2.0
121.03212	0.6
121.10148	3.1
122.10458	0.5
129.06992	0.9
131.05241	4.3
131.08571	4.8
131.77509	0.5
131.99594	0.6
133.03163	2.1
133.10124	72.4
134.10498	1.9
143.05167	1.0
145.10124	7.2
146.10869	0.7
147.04317	0.6
147.11678	10.8
152.96950	0.7
157.14163	6.4
159.11623	0.8
160.05220	0.8
160.12488	4.1
173.13274	3.0
175.07571	3.7
175.14816	100.0
176.15179	3.0
186.21043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	0.5
55.05511	5.9
57.07063	1.0
65.03942	0.5
67.05498	2.1
69.07064	13.8
69.27467	2.6
79.05476	2.9
81.07049	10.8
83.08624	3.2
90.74089	0.5
91.05475	10.4
91.06027	0.4
93.07047	4.2
95.04946	0.8
95.08606	9.1
98.98472	3.0
103.05443	0.6
105.07021	22.3
107.08573	5.1
115.05451	1.3
117.07018	3.8
118.33640	0.6
119.08573	71.3
120.08900	1.0
121.10115	2.9
123.22941	0.5
129.07013	0.6
131.08574	4.2
132.05652	1.4
132.09352	0.7
133.10121	79.0
134.10741	0.8
135.11693	0.9
145.10109	8.8
146.10858	1.0
147.08067	1.0
147.11674	20.7
159.11769	0.7
160.05186	1.0
160.12454	6.1
173.13223	1.5
175.03865	0.5
175.07565	1.8
175.09775	1.9
175.14810	100.0
176.15137	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54630	0.5
53.03928	0.8
55.05507	9.6
56.87193	0.5
57.07069	1.3
60.93965	0.5
67.05499	2.5
68.12366	0.6
69.07065	23.8
70.06600	0.7
71.21977	0.5
79.05506	3.2
81.07047	11.4
83.08607	5.3
86.87841	0.6
91.05476	14.6
93.07037	5.5
95.08595	9.0
98.98457	8.1
103.05475	1.3
104.06248	0.7
105.07023	33.0
107.08595	7.5
109.10169	0.6
115.05454	2.1
117.07008	4.8
119.08572	92.2
120.08875	1.3
121.10143	3.4
129.07016	1.2
131.08549	6.4
132.05690	2.1
132.09320	0.7
133.10118	87.7
134.10487	1.9
145.10115	6.4
146.10878	2.2
147.06828	0.5
147.08031	2.7
147.11676	12.4
158.10866	0.8
159.11642	0.8
160.05199	2.0
160.12462	4.3
172.47212	0.5
173.13234	3.1
175.07538	5.8
175.14809	100.0
176.15129	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.19956	0.6
54.44587	0.6
54.58105	0.6
55.05508	10.3
57.07059	1.1
65.03932	0.9
67.05507	3.3
69.07063	21.0
74.46387	0.7
77.03941	1.1
79.05482	4.3
81.07049	17.4
83.08605	4.8
89.77162	0.7
91.05469	14.3
93.07037	7.6
95.04967	1.2
95.08591	11.2
98.23505	1.6
98.98450	9.0
103.05430	1.0
105.07019	42.8
107.08576	7.5
109.10153	0.6
115.05440	3.3
117.06994	5.2
119.08570	92.8
119.92939	0.7
120.08875	1.4
121.10116	2.8
129.06970	1.0
131.08585	7.0
132.09354	1.2
133.10117	82.6
134.10440	1.9
145.10114	7.3
146.10883	1.9
147.11676	17.0
159.11612	0.7
160.05203	2.8
160.12476	3.9
163.74686	0.6
173.13298	3.3
175.07501	4.8
175.09750	2.9
175.14803	100.0
176.15187	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40060	1.0
60.05644	29.5
69.57215	0.9
70.06585	88.6
71.05006	1.2
71.06919	7.5
72.08148	2.6
72.69327	1.1
88.07610	1.4
99.64053	1.0
101.62284	1.1
102.18969	0.9
104.39557	0.9
105.45567	1.0
112.08715	3.6
114.09175	2.1
116.07085	20.9
117.07454	2.5
129.38612	1.4
130.09738	8.4
132.02100	100.0
133.02357	1.2
150.44046	1.0
158.09262	4.2
175.11891	17.8
176.01071	18.8
176.09160	11.5
176.12169	2.3
181.08485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
58.97461	0.5
63.02370	1.4
63.05935	0.5
69.63538	1.1
69.63927	1.3
77.03906	0.6
78.04682	2.8
89.03909	48.6
90.04243	0.7
91.05471	3.3
95.04961	1.5
103.03933	0.5
103.05473	1.5
105.03371	0.6
106.04171	3.8
110.40005	0.5
117.03368	84.5
118.03711	1.5
119.04900	0.8
134.03610	10.5
135.04402	5.8
145.02835	100.0
146.03156	2.9
149.05966	25.6
162.03114	2.2
162.25684	0.5
163.03896	2.3
177.05458	23.6
177.59265	0.6
178.05809	0.7
178.12234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
58.71561	0.5
63.02346	0.9
65.05667	0.5
68.51943	0.5
69.07067	0.5
70.75034	0.8
74.91032	0.4
77.03938	0.6
78.04713	3.5
89.03912	47.6
90.04185	0.8
91.05479	3.2
95.04964	1.1
103.05457	1.4
105.04475	0.5
106.04178	3.5
106.07378	0.9
107.08627	0.5
117.03371	81.1
118.03706	1.5
119.04951	0.8
119.08626	0.6
120.08872	1.0
121.06501	0.8
124.05225	0.8
134.03621	9.3
134.10466	2.1
135.04391	4.7
145.02838	100.0
146.03174	2.1
149.05968	24.2
150.06245	0.7
152.42218	0.6
162.03107	1.7
163.03877	1.6
176.15131	2.1
177.05463	25.5
186.05489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03940	0.6
55.01879	0.5
55.05495	0.4
55.63741	0.3
57.03424	0.3
61.23609	0.4
63.02383	1.4
65.03928	0.5
67.05496	1.9
67.62436	0.4
69.07056	1.2
69.70278	1.6
77.03935	0.7
78.04709	3.5
79.05499	2.9
81.03448	0.4
81.07052	3.7
81.52074	0.4
83.08612	0.5
89.03912	48.7
90.04225	0.9
90.68047	0.3
91.05476	5.7
93.07035	4.7
95.04964	2.1
95.08573	1.1
97.06512	0.8
97.32278	0.4
98.98457	3.4
103.05463	1.6
105.03379	0.5
105.04485	0.7
105.07032	2.1
106.04166	3.8
107.04972	0.6
107.08582	2.3
109.06519	0.5
111.08078	0.4
117.03371	83.9
117.07014	1.4
118.03717	1.4
119.04917	0.7
119.08562	0.8
121.06458	0.8
121.10129	1.8
124.05205	0.7
125.22105	0.3
129.04457	0.4
131.08592	2.2
133.10117	2.6
134.03625	8.6
134.35423	0.4
135.04407	7.3
135.05382	0.7
135.08046	1.3
135.11671	1.4
145.02837	100.0
146.03166	2.9
147.04282	0.4
149.05974	25.3
149.09563	0.7
149.13220	1.3
150.06363	0.5
158.06006	0.6
159.11671	2.7
162.03149	1.1
163.03899	2.5
177.05452	24.3
177.10326	0.9
177.12729	8.3
177.16310	0.8
178.05849	0.7
181.25366	0.4
186.05490	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	0.6
55.01876	0.7
55.05512	0.7
56.96554	0.5
58.05992	0.3
61.33020	0.4
63.02377	1.3
64.86468	0.4
67.05501	1.5
69.07065	0.9
69.25867	2.0
75.48521	0.4
78.04717	3.4
79.05489	2.5
80.05008	0.6
81.07065	1.8
89.03914	47.5
90.04266	1.0
91.05473	5.3
92.32878	0.4
93.07044	4.5
95.04961	2.7
95.08597	1.2
98.98463	6.5
103.05459	1.7
105.03384	0.7
105.04516	0.9
105.07041	2.3
105.07653	0.4
106.04176	3.5
107.04959	0.5
107.08595	3.0
107.51849	0.4
109.06548	0.5
109.60159	0.4
117.03374	79.1
117.07017	1.2
118.03714	1.5
119.04952	0.6
119.08575	1.5
120.08915	0.7
121.06506	1.6
121.10117	2.1
124.05194	1.0
129.06999	0.5
131.08574	2.7
133.10100	1.6
134.03633	9.9
134.10463	0.6
135.04422	7.0
135.08043	3.0
135.11707	1.6
144.09322	0.6
145.02841	100.0
146.03151	2.5
149.02367	0.9
149.05975	26.5
149.09608	0.6
149.13278	1.0
150.06296	0.6
158.05986	0.8
159.08000	0.7
159.11688	2.8
162.03076	1.5
162.04297	0.5
162.10382	0.8
163.03893	2.3
176.15152	0.7
177.05457	24.2
177.08914	0.9
177.10249	1.6
177.12741	10.0
177.16379	0.7
178.12254	0.4
186.05475	2.2
187.44299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.81423	0.4
60.05661	0.4
63.02381	1.3
65.60746	0.4
70.06589	0.7
70.41176	0.5
70.41514	0.8
77.03913	0.6
78.04688	3.2
85.49467	0.4
89.03913	46.2
90.04271	0.7
91.05488	3.1
95.04976	1.1
98.98470	0.9
103.05465	1.8
105.04498	0.7
106.04164	4.2
107.04941	0.7
117.03374	81.9
118.03730	1.9
119.04911	0.5
121.01623	0.5
121.06487	0.7
124.05170	0.6
129.04433	0.4
133.02438	0.8
134.03632	9.4
135.04414	5.6
145.02841	100.0
146.03162	2.1
149.05971	23.9
150.06329	0.8
162.03172	1.3
163.03897	2.3
177.05463	23.9
178.05771	0.7
180.48120	0.4
190.15073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.30093	0.5
63.02365	0.8
65.03927	0.5
69.28514	2.1
69.28913	0.9
78.04715	2.3
79.05487	0.5
89.03914	45.4
90.04263	0.7
91.05474	2.9
95.04975	0.9
96.88879	0.5
98.22723	1.1
98.98441	1.2
103.05464	1.4
105.04523	0.5
106.04175	3.5
117.03375	81.3
118.03721	1.5
119.04933	0.6
124.05188	1.0
129.04509	0.6
134.03633	8.4
135.04413	4.8
145.02843	100.0
146.03189	2.4
149.05971	24.9
162.03113	1.7
163.03903	1.8
177.05453	22.6
178.05824	0.7
199.98740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96573	0.6
63.02373	1.2
65.03921	0.5
67.05495	0.6
69.10041	2.7
71.04984	1.0
77.03919	0.8
77.58150	0.4
78.04704	2.9
79.05483	1.5
81.07057	1.1
89.03911	45.7
90.04243	0.9
91.05469	3.6
93.07030	1.5
95.04960	2.1
98.23438	0.9
98.97581	3.0
98.98461	6.6
100.89232	0.4
101.35989	0.6
102.97523	0.4
103.05470	3.2
105.04522	0.7
105.07035	4.4
106.04146	2.2
107.04995	0.6
116.98638	2.5
117.03371	76.6
118.03711	1.5
118.96750	0.6
121.06498	1.4
124.05242	0.8
131.04921	2.1
131.08559	0.5
133.06377	0.4
134.03615	10.7
134.99640	1.2
135.04407	5.1
145.02834	100.0
146.03169	2.5
147.04469	0.4
149.02336	1.4
149.05971	26.1
150.06343	0.6
153.78412	0.4
159.04387	2.6
159.08105	0.5
162.03113	1.3
163.03946	2.7
177.05449	28.4
177.10339	0.9
178.05789	0.8
186.05473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.90424	0.9
53.03939	2.4
54.92957	1.0
55.05508	14.0
57.07063	2.0
65.03928	1.1
67.05502	42.4
69.07072	10.1
77.03944	1.2
79.05489	62.1
81.07053	38.2
83.08617	10.4
88.02200	1.8
89.03860	1.4
91.05473	19.2
93.07040	80.7
94.07344	1.5
95.04977	5.5
95.08601	47.1
96.08959	1.6
97.06492	1.6
97.10148	3.7
98.22704	2.1
98.98463	7.0
105.04500	2.0
105.07029	6.0
107.04945	4.1
107.08591	42.0
107.73613	1.3
109.06511	1.7
109.10151	19.5
117.03432	1.3
117.07000	4.3
119.08572	1.7
121.10140	100.0
122.10449	2.2
130.78815	0.9
131.08551	5.0
133.10130	6.0
135.11684	36.9
136.12025	1.5
145.02818	1.7
149.02296	1.4
149.13210	5.9
159.11690	8.9
177.10223	3.1
177.12766	24.6
177.16371	51.0
190.92397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	1.1
55.05510	11.2
57.03421	1.6
57.07065	3.1
67.05502	9.1
69.07065	37.6
71.13614	0.9
71.43183	1.3
79.05494	13.4
79.29216	1.1
80.04983	1.1
81.07059	13.3
83.08624	14.5
89.03901	1.7
91.05464	9.2
93.07040	35.5
95.04970	3.6
95.08607	33.1
95.09208	1.9
97.10176	2.6
98.98480	4.9
105.07037	8.2
107.04964	6.1
107.08591	71.8
108.08954	1.1
109.06514	2.5
109.10149	16.1
117.07027	1.3
119.06058	1.4
119.08572	3.6
121.06504	2.8
121.10143	100.0
122.10442	1.7
123.08112	1.3
123.11692	1.1
131.08543	1.6
133.10110	2.4
135.08049	3.2
135.11687	22.9
145.02838	2.0
147.08054	1.4
149.09587	2.8
149.13264	9.9
159.11676	3.5
162.10402	2.9
177.10437	4.9
177.12769	27.4
177.16376	70.9
178.08534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05510	11.2
57.03421	1.6
57.07065	3.1
67.05502	9.1
69.07065	37.6
71.13614	0.9
71.43183	1.3
79.05494	13.4
79.29216	1.1
80.04983	1.1
81.07059	13.3
83.08624	14.5
89.03901	1.7
91.05464	9.2
93.07040	35.5
95.04970	3.6
95.08607	33.1
95.09208	1.9
97.10176	2.6
98.98480	4.9
105.07037	8.2
107.04964	6.1
107.08591	71.8
108.08954	1.1
109.06514	2.5
109.10149	16.1
117.07027	1.3
119.06058	1.4
119.08572	3.6
121.06504	2.8
121.10143	100.0
122.10442	1.7
123.08112	1.3
123.11692	1.1
131.08543	1.6
133.10110	2.4
135.08049	3.2
135.11687	22.9
145.02838	2.0
147.08054	1.4
149.09587	2.8
149.13264	9.9
159.11676	3.5
162.10402	2.9
177.10437	4.9
177.12769	27.4
177.16376	70.9
178.08534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.55552	0.3
69.61830	0.7
78.46513	0.3
80.04996	0.3
88.65254	0.3
89.03920	0.9
90.04229	1.5
91.05496	0.5
91.18864	0.3
92.04986	0.7
93.05791	0.4
93.06999	0.4
98.23522	0.3
100.04932	0.3
105.07040	0.4
107.08599	0.6
117.03385	1.2
117.07040	1.5
118.03732	3.4
118.06535	10.1
119.07320	9.4
119.08598	0.3
120.40282	0.3
132.08081	0.6
134.09647	62.7
135.09984	1.4
136.04720	0.4
145.02817	0.7
145.24187	0.3
146.03180	6.0
150.06313	1.4
160.11223	1.0
162.09140	1.7
162.54974	0.3
163.09947	1.1
178.05939	1.8
178.12257	100.0
179.12643	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71298	0.5
53.85587	0.5
54.44516	0.4
57.64706	0.4
59.10068	0.4
81.07050	0.5
82.99837	1.2
94.73104	0.4
100.02462	1.5
101.00874	17.7
102.00972	0.5
107.45139	0.5
116.01920	0.4
116.65791	0.4
118.03512	0.8
119.01914	100.0
120.01990	3.5
121.02384	0.5
124.82825	0.5
126.07838	0.4
133.03484	3.1
133.06517	0.5
133.10138	0.5
134.02975	0.9
135.08084	0.5
136.02133	0.5
137.02954	35.4
138.03069	1.2
142.03503	1.9
143.01907	0.8
151.04514	2.3
156.05084	3.1
160.04466	0.6
161.02957	19.2
161.04265	0.7
174.06134	1.0
174.98596	0.7
179.00797	1.2
179.04012	28.8
180.04121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28774	0.5
61.84182	0.5
63.75050	0.6
67.33427	0.6
69.19466	3.6
71.86708	0.6
82.99861	1.7
91.05468	1.1
94.85361	0.5
96.04489	0.7
97.91099	0.6
98.22551	0.7
100.02458	1.7
101.00879	24.8
102.00949	1.4
115.02426	0.7
119.01919	100.0
120.01986	4.1
120.15661	0.5
121.06467	0.6
133.03482	5.7
133.10216	0.7
134.02997	0.8
137.02954	32.4
138.03058	1.7
142.03545	0.9
143.03697	0.6
151.04549	1.5
156.05055	2.7
157.04549	0.9
159.77441	0.7
161.02962	20.9
161.09549	0.7
174.06221	1.1
174.98538	0.9
179.04007	31.9
180.04041	0.9
180.36629	0.6
197.02913	0.9
199.26578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
50.32082	0.6
51.57280	0.6
53.03935	1.1
55.01868	3.4
55.05509	4.0
57.03431	1.5
60.54813	0.5
65.03925	2.2
67.05500	19.0
68.99775	1.0
69.03425	9.7
69.07054	1.4
69.10164	0.6
71.01338	1.9
77.03913	2.1
78.04776	0.6
79.05486	34.5
80.05833	0.6
81.03408	2.5
81.07053	29.1
83.04966	1.9
83.08590	0.7
85.06535	1.3
89.03932	0.6
91.05472	18.9
92.06275	0.6
93.07040	14.2
94.07828	0.8
95.04968	6.7
95.08599	44.4
97.02885	32.5
97.03378	0.4
97.06521	4.5
99.08062	1.0
103.05458	5.7
105.07021	100.0
106.07354	1.8
107.04934	1.8
107.08585	14.3
108.05729	2.0
109.06508	12.9
109.10148	2.0
115.05464	3.6
117.06973	4.0
119.04915	1.2
119.06078	1.2
119.08563	10.6
120.08933	0.8
121.06490	3.6
121.10129	2.7
123.04446	0.8
123.07153	1.5
123.08057	30.0
123.11661	0.7
124.08358	1.0
132.05667	1.0
133.06477	65.3
133.10104	6.6
134.06830	1.8
135.04381	4.2
135.08035	4.1
135.11694	5.9
137.05907	0.7
137.09541	1.1
147.04430	1.0
149.05989	1.7
150.06744	15.5
151.06334	1.3
151.07529	19.0
151.08748	1.1
161.05965	14.6
161.09604	1.1
161.13240	15.4
179.07033	27.6
179.14282	16.7
193.77910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	nocapyrone F
Peak:m/z	Relative Intensity
53.03932	1.3
55.05493	2.0
55.30825	0.7
57.07072	1.6
59.05001	1.3
67.05498	13.2
69.03424	0.9
69.07056	1.2
70.03115	1.7
70.03436	0.8
75.29034	0.7
79.05486	4.2
81.03437	4.2
81.07053	40.1
83.04976	1.6
91.05474	1.8
93.07035	4.0
95.04956	3.2
95.08597	6.4
105.07008	6.4
107.04903	0.9
107.08576	2.9
109.06522	13.9
109.10150	100.0
110.10503	2.0
119.08572	1.1
121.10099	0.9
123.04438	2.4
123.08075	2.6
123.11701	19.0
133.06538	1.0
133.10117	5.4
137.09589	1.0
151.11171	68.8
152.11536	1.4
161.09618	1.5
165.50406	0.9
169.12241	4.0
179.10657	23.5
179.42555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	1.6
55.01860	1.7
55.05510	8.9
56.20986	0.8
57.03428	6.9
62.00767	0.8
63.86863	0.7
65.03928	1.4
67.05498	35.9
67.05863	1.8
69.03410	1.7
69.07064	7.6
71.04991	4.0
77.03905	1.3
79.05484	28.0
81.07049	100.0
82.07376	1.4
83.04977	4.6
83.08606	4.7
85.06537	4.5
91.05470	21.5
93.07038	30.7
95.04951	2.7
95.08597	64.2
96.08926	1.1
97.06526	14.5
99.08082	12.2
105.07020	22.8
105.07730	1.3
107.08582	11.5
109.06503	6.1
109.10152	7.9
111.08061	6.6
117.07002	1.4
119.08568	36.3
120.08916	0.9
121.10125	11.2
123.08030	6.2
123.11678	1.0
131.08537	1.0
133.10114	22.8
135.11676	16.2
137.09621	4.3
137.13185	1.7
151.11140	3.9
155.50035	0.8
161.13240	56.1
162.13538	1.8
179.06400	1.8
179.10762	1.9
179.14290	71.6
180.14606	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.10857	0.9
53.03936	2.9
55.01855	2.8
55.05508	13.8
57.03434	10.5
57.07063	3.5
65.03950	1.6
67.05499	35.6
69.03407	2.6
69.07066	11.5
71.04984	12.8
77.03898	1.6
79.05048	2.1
79.05492	37.1
80.05822	1.4
81.07053	100.0
81.61872	1.1
83.04987	5.5
83.08613	6.6
85.06534	6.6
91.05475	28.8
93.07042	30.2
95.04995	5.2
95.08601	71.7
96.08929	1.1
97.06535	13.4
98.22609	2.1
99.08100	5.8
105.04491	1.7
105.07023	22.6
105.96964	1.0
107.08585	16.1
109.06509	7.8
109.10139	8.9
111.08084	7.6
117.07007	1.5
119.08574	35.2
121.10148	10.6
123.08083	9.5
123.11633	1.7
133.10124	18.7
135.11682	13.3
137.09604	4.9
151.11159	2.3
161.13252	39.4
179.14301	61.8
180.14645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.11556	2.0
53.03946	5.2
55.01862	8.8
55.05510	35.4
57.03416	6.3
58.46171	1.9
59.04992	2.1
60.56683	1.8
65.03913	3.4
65.69022	1.9
67.05502	100.0
69.03426	2.6
69.07069	22.7
77.03925	3.4
79.05045	3.1
79.05492	63.4
81.03416	26.4
81.07053	96.0
83.04980	45.6
83.08621	14.7
84.92991	2.3
85.06543	2.3
91.04946	3.5
91.05481	57.0
93.07038	46.5
93.14789	2.1
95.04974	20.8
95.08601	70.9
97.06536	38.3
97.10159	3.3
98.23487	5.3
99.08097	3.0
105.04509	4.7
105.07031	33.6
107.04946	8.9
107.08595	18.3
109.06517	18.8
109.10162	14.3
109.14191	2.0
109.16077	1.9
111.08098	12.2
113.09624	8.5
117.07008	2.4
119.08575	35.3
121.10159	12.6
123.04424	2.8
123.08066	6.7
133.10130	25.3
135.11664	6.7
137.05882	2.5
137.09602	3.6
161.13252	32.3
179.06424	3.4
179.10678	2.7
179.14307	84.4
180.14674	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	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01860	6.7
55.98122	2.9
56.96567	7.0
57.03426	5.4
60.04520	11.5
61.02925	15.1
65.03937	8.7
69.03427	26.6
69.45731	2.7
71.04977	5.8
71.42110	3.7
73.02907	10.3
79.05502	5.8
80.28148	2.8
81.03404	11.8
84.04494	3.3
85.02902	100.0
87.04468	4.7
91.03955	9.3
91.05460	4.4
92.24135	2.8
95.04945	4.4
96.04504	7.3
97.02892	29.8
98.97591	21.4
99.04449	6.7
100.31960	3.0
103.03979	3.7
105.04411	2.9
106.06548	5.4
107.08617	3.7
109.02876	9.1
109.55043	2.7
110.03596	5.2
111.04432	3.5
116.98627	26.1
120.08085	3.4
121.06516	5.3
124.03947	3.5
127.03915	21.8
134.06006	7.8
134.99644	16.2
135.04417	11.1
135.08041	4.3
145.04947	8.5
148.07600	4.1
152.07034	6.9
153.00812	2.9
153.05412	4.2
162.05482	4.8
162.09061	3.8
163.03911	11.5
171.06526	4.4
180.03891	3.0
180.06538	15.7
180.08754	13.3
180.10164	10.1
180.13786	5.1
181.04916	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	181.0494
Annotation	stipitaldehyde
Peak:m/z	Relative Intensity
53.00307	0.8
53.03938	2.4
54.04697	0.8
55.01848	1.3
55.05496	0.8
55.30166	0.5
56.96562	5.3
57.03426	0.9
65.03939	38.7
67.05501	14.4
68.99760	0.9
69.03415	2.5
69.07059	0.9
77.03922	1.9
79.05483	5.2
81.03408	2.0
81.07058	0.6
82.04196	18.8
83.04967	0.7
85.02902	21.0
85.03415	1.2
85.06420	0.6
86.07184	3.5
89.03912	5.1
91.05482	2.6
93.03400	5.9
93.07040	1.7
94.13511	0.5
95.04963	9.6
97.02850	1.0
97.06527	8.9
98.97578	39.0
100.04250	0.5
101.53891	0.6
103.05407	0.5
103.20612	0.6
105.04488	2.0
107.04949	2.0
107.08582	1.5
108.02090	10.8
108.08095	0.5
109.93435	0.5
110.03650	15.9
110.06765	0.5
111.04434	7.5
114.03178	0.7
115.33475	0.6
116.98614	26.2
117.03358	5.1
121.02832	0.6
121.03987	1.5
121.06533	0.9
121.10109	1.9
123.00779	7.0
123.04360	0.7
125.05976	7.0
129.05530	0.6
134.99651	12.3
135.04401	11.0
135.05360	1.0
135.08043	1.0
136.07545	0.7
137.02299	2.2
138.03117	9.1
139.03914	1.3
140.00217	0.8
142.02592	4.2
145.02843	6.0
153.00746	1.6
153.05460	8.3
153.35114	0.5
158.01288	1.3
163.03896	25.3
163.11218	1.0
164.04164	0.7
164.11877	0.5
166.02615	0.7
171.06519	26.0
181.04941	100.0
181.14484	2.9
182.05327	2.0
182.19080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
50.18916	0.5
53.00290	0.4
53.03923	1.3
55.01857	1.7
55.05508	0.7
56.96553	1.7
57.03396	0.5
63.02346	0.5
65.03937	17.0
67.05504	6.5
68.02631	0.5
68.99783	0.4
69.03419	2.1
69.07059	0.6
70.58733	0.8
71.04970	1.3
77.03921	0.9
78.44671	0.4
79.05048	0.6
79.05486	9.4
79.75124	0.4
81.03391	2.0
81.07041	1.6
82.04195	8.5
83.01323	1.2
83.04974	0.5
85.02415	0.6
85.02899	9.4
86.07182	2.2
89.03911	19.8
91.05473	7.3
93.03414	3.0
93.07023	1.7
95.04960	4.2
95.08598	0.6
97.02911	0.6
97.06510	3.4
98.76701	0.5
98.97578	12.5
99.04442	1.9
105.04506	1.3
105.07021	2.9
107.04946	6.6
107.08587	9.0
108.02091	3.7
109.06491	0.9
110.03649	6.3
111.04446	4.4
115.05445	1.5
116.98614	10.2
117.03372	23.6
117.07059	2.4
118.03694	0.5
119.04951	0.5
119.06059	0.8
119.08607	0.5
121.03918	0.8
121.06541	0.8
121.10123	1.3
123.00761	1.9
123.04333	0.5
125.05981	3.8
134.99667	4.3
135.04401	42.2
135.08025	6.9
136.04747	1.1
136.11975	0.4
137.02348	0.8
138.03113	3.9
139.03894	1.2
140.00209	0.5
142.02567	1.9
145.02840	25.5
145.03894	0.9
146.03120	0.8
149.05922	0.5
152.07080	0.6
153.00713	0.7
153.05470	2.9
163.03889	100.0
163.07484	2.7
164.04259	2.6
167.07727	0.5
171.06522	9.4
181.04942	44.7
181.08467	1.2
181.14503	1.2
182.05351	0.8
182.50327	0.4
197.79984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
57.35364	0.3
63.02377	0.6
63.63997	0.3
65.03925	1.2
66.03995	0.3
69.61848	1.1
70.30916	0.3
73.27845	0.3
77.03903	0.6
78.31155	0.3
79.05499	3.4
82.30303	0.3
85.02917	0.4
89.03914	18.5
91.05475	1.1
92.87577	0.3
95.04969	6.7
97.06570	0.5
105.04475	0.4
107.04946	5.8
107.08560	0.3
110.03639	0.5
111.04430	0.6
117.03378	22.6
123.04408	1.0
135.04413	37.0
136.04790	0.7
138.32558	0.4
139.03915	0.6
139.07478	0.5
145.02841	24.4
146.03210	0.5
163.03897	100.0
164.04256	2.4
181.04956	2.0
181.08510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03939	2.5
54.04704	0.8
55.01863	1.8
56.96569	4.2
57.73706	0.6
59.11533	0.5
65.03938	38.1
66.04273	0.6
66.30783	0.6
67.05500	13.5
68.99776	1.0
69.03432	3.2
69.07053	1.6
69.47546	1.3
69.47961	1.9
71.01325	0.6
71.04981	1.4
77.03904	2.1
77.81667	0.5
79.05493	6.2
80.02627	0.6
81.03400	1.9
81.07043	1.9
82.04198	14.4
83.04863	1.1
85.02406	1.2
85.02898	18.5
89.03927	3.4
91.05490	4.4
92.02618	0.7
93.03399	6.2
93.07026	2.7
95.04971	7.8
97.02875	1.3
97.06528	7.8
98.97579	36.7
99.04463	1.7
105.04505	2.2
105.07022	2.1
107.04925	1.1
107.08573	6.4
108.02091	8.9
109.06543	1.1
109.10177	0.7
110.03655	15.2
111.04462	5.2
115.05421	1.1
116.98611	23.5
117.03394	2.8
117.07004	1.9
119.06030	0.9
121.02819	0.7
121.03893	0.7
121.06471	0.6
123.00780	5.4
125.05981	8.0
134.99661	10.2
135.04399	6.3
135.08040	4.8
137.02316	2.6
137.05956	1.6
138.03120	9.6
139.03925	1.1
139.07437	1.5
142.02620	4.0
145.02884	3.2
153.00674	0.9
153.05457	10.3
158.01262	0.6
163.03902	14.4
163.07510	2.1
164.04115	0.7
171.06508	26.5
179.07036	1.0
181.04939	100.0
181.08409	2.4
182.05266	1.9
200.18752	0.6
203.11176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
51.02372	1.1
53.03946	2.7
55.01857	4.3
55.05512	1.5
56.96565	15.3
57.03434	1.6
57.64598	1.0
65.03935	35.3
67.05502	18.2
68.99780	2.1
69.03419	9.0
69.07022	1.3
71.04992	2.0
71.43745	1.6
77.03908	1.6
78.27174	1.1
78.70939	1.1
79.05486	25.5
81.03398	4.5
81.07053	7.1
82.04196	16.6
83.04959	2.3
85.02898	20.7
85.03410	1.6
89.03902	3.6
91.05472	35.4
92.05804	1.6
93.03378	5.5
93.07041	10.9
95.04960	12.0
95.08611	1.8
97.02881	7.6
97.06509	9.6
98.97575	93.6
99.04455	1.5
103.05416	1.3
105.03284	1.1
105.04511	3.1
105.07018	15.1
107.04985	6.0
107.08582	87.9
108.02078	8.7
108.08140	1.2
108.08907	1.7
109.02810	1.0
109.06503	17.7
109.10114	1.6
110.03652	13.1
111.04449	7.4
115.05446	11.5
116.98611	77.3
117.03354	2.6
117.07011	23.3
119.05003	1.1
119.06030	4.8
119.08550	2.3
121.03939	1.8
121.06464	3.9
121.07626	1.1
121.10090	1.9
123.00758	4.0
123.04413	4.8
123.08036	2.8
125.05991	9.1
125.09598	4.5
133.06410	1.2
134.99644	48.6
135.04439	9.9
135.08044	90.5
136.08395	2.0
137.02316	4.3
137.05974	4.9
138.03107	8.6
140.00139	1.8
141.05513	1.2
142.02621	3.8
145.02814	4.2
145.06506	6.8
151.07506	1.3
153.00691	7.6
153.05435	6.8
153.09077	2.8
158.01253	2.3
163.03877	17.2
163.07544	19.5
163.11151	2.5
171.06517	25.8
181.04938	100.0
181.08406	9.8
181.12112	1.8
182.05278	2.6
182.08096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
55.01873	0.7
56.17377	0.3
61.69929	0.4
64.33887	0.4
65.03942	1.1
65.10335	0.4
67.01534	0.4
67.05502	3.0
68.92834	0.4
69.50551	1.6
74.64155	0.4
75.11664	0.3
77.40688	0.3
79.05497	2.3
81.03403	0.6
82.04189	0.4
85.02902	1.6
89.03942	0.4
91.05479	2.9
93.07037	4.5
95.04962	100.0
96.05310	1.1
97.06532	3.5
98.97585	3.8
105.04514	0.4
105.07033	0.6
107.04932	0.6
107.08600	3.4
109.06522	1.2
111.04456	0.4
111.08060	3.3
115.05441	0.6
116.98606	2.8
117.03390	0.5
117.06987	1.1
121.06505	4.9
123.03523	0.8
123.04422	16.7
124.05218	0.8
134.99675	1.1
135.04398	1.1
135.08044	8.1
139.07535	6.1
145.02829	1.1
153.05447	0.3
163.03879	4.5
163.07535	4.1
171.06584	0.5
181.04967	1.6
181.08585	7.6
181.10095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	p-Propoxy benzoic acid
Peak:m/z	Relative Intensity
50.59714	0.2
54.75425	0.2
55.01864	0.2
56.96563	2.7
62.03079	0.2
65.03940	1.5
67.05489	0.7
69.03435	0.2
69.18507	1.0
79.01704	0.2
79.05495	2.2
81.03374	0.3
81.98206	0.2
82.04189	0.5
83.04967	0.2
85.02886	0.8
89.03909	1.2
91.05472	6.1
92.06268	0.2
93.03378	0.2
93.07028	0.7
95.04947	0.5
95.46111	0.2
97.02862	0.2
97.06522	0.5
98.22627	0.3
98.97578	20.2
105.04491	0.2
105.07030	2.5
107.04950	0.8
107.08588	11.3
108.02121	0.3
109.06498	1.8
110.03650	0.5
111.04424	0.4
115.05448	5.8
115.06233	0.4
116.98615	15.5
117.03360	1.4
117.07016	7.7
119.06065	1.0
121.06537	0.2
121.10118	0.8
124.58407	0.2
125.05979	0.5
133.06493	0.5
134.06975	0.2
134.99654	8.6
135.04501	2.6
135.08043	100.0
136.08385	2.0
138.03088	0.3
140.00203	0.5
145.02824	1.3
149.05905	0.3
153.00711	1.1
153.05441	0.3
158.01202	1.0
163.03903	6.8
163.07518	4.3
163.08827	0.2
163.11121	0.2
171.06523	1.3
176.02322	0.2
181.04955	3.9
181.06364	0.2
181.08440	0.4
181.09857	0.3
181.12257	0.2
182.19093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01870	12.6
56.96564	6.9
60.28452	0.5
65.03938	33.2
67.05502	13.7
68.99787	1.3
69.03421	2.0
69.07059	1.4
69.21901	4.4
77.03922	4.6
79.05488	9.6
81.03403	2.1
81.07025	0.9
82.04198	17.4
83.04967	1.2
85.02899	20.3
85.54742	0.6
89.03908	2.1
91.01152	0.6
91.05477	16.8
93.03395	6.7
93.07041	18.2
95.04967	13.1
97.02874	1.0
97.06524	8.8
98.22710	1.3
98.97582	54.0
103.05460	25.7
103.05998	0.4
105.04511	4.7
105.07034	5.1
107.04956	10.0
107.08578	0.8
108.02100	9.6
109.06514	0.6
110.03661	16.1
111.04445	7.4
116.98616	41.0
117.03367	2.6
117.99078	0.6
120.05707	1.8
121.02837	1.3
121.06502	52.1
121.10107	0.6
122.06789	1.1
123.00791	5.2
125.02316	1.1
125.05980	8.6
131.04874	1.4
134.45778	0.7
134.99652	16.5
135.04413	5.4
135.08046	9.7
137.02318	2.1
137.05962	0.8
138.03111	14.6
140.04665	1.6
142.02608	3.8
145.02852	3.1
149.05972	65.9
150.06342	1.2
153.00676	1.7
153.05461	54.4
154.05783	1.1
157.15912	0.6
158.01250	1.7
163.03911	12.4
163.07555	2.5
166.06236	2.3
171.06516	25.4
181.04944	100.0
181.08481	11.6
182.05299	2.6
187.86955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
52.40100	1.0
55.05508	7.0
57.07052	3.3
58.02691	2.1
58.02959	31.5
64.13760	1.0
67.05157	1.4
67.05504	16.4
69.07065	59.9
70.06573	3.4
70.97921	1.8
74.06084	1.7
79.05485	7.2
81.07047	16.6
83.08601	5.2
84.08139	8.8
86.06106	1.3
91.05482	3.4
93.07030	9.4
95.04984	1.5
95.08607	6.5
97.06505	3.2
98.06050	2.5
98.09669	2.7
98.97573	6.7
98.98438	1.3
99.97910	2.3
100.07614	5.9
105.07032	11.6
107.08581	16.5
109.06489	2.8
109.10155	47.5
112.07597	1.4
114.09164	13.1
116.98608	2.1
117.98946	1.1
121.10186	1.9
123.11687	8.8
126.09144	14.0
133.10117	28.6
135.11705	16.4
138.12769	19.9
147.11652	5.4
151.11194	10.7
153.12732	12.5
154.15855	1.5
164.14355	2.3
165.12698	2.8
172.67868	1.4
182.15396	100.0
183.15723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
53.03939	2.2
55.01873	2.1
62.20410	0.9
64.42260	0.6
64.59242	0.7
65.03922	1.7
65.54109	0.7
66.04705	1.1
67.05509	1.7
69.03422	2.4
71.01141	1.1
71.04977	0.9
79.05489	17.3
81.03420	5.2
81.07050	36.1
91.04940	1.2
91.05476	13.5
93.07037	1.0
94.04182	3.2
94.19070	0.8
95.04951	6.0
107.04949	2.0
109.02876	4.4
109.06510	100.0
110.03645	12.0
110.06867	1.3
111.04471	3.6
119.04931	6.5
121.06555	1.3
135.04311	0.7
137.05966	78.7
138.06279	1.8
139.03831	1.1
141.31287	0.8
147.04390	7.8
152.42116	0.7
165.05450	11.4
180.23064	0.7
183.06520	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	183.0653
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
51.02348	0.6
53.03932	1.8
55.01865	2.5
65.03927	2.7
66.04716	0.6
67.05508	1.1
69.03429	1.6
69.54077	1.4
69.54470	1.3
71.04977	1.0
77.03901	0.8
79.05488	15.3
81.03409	5.0
81.07056	38.2
82.07367	0.9
83.01311	1.1
83.04960	0.7
91.05470	12.5
93.07024	1.4
94.04185	2.6
95.04964	6.9
99.04404	0.7
105.04520	1.0
107.04955	2.7
108.05783	0.8
109.02885	3.3
109.06516	100.0
110.03657	11.1
110.06860	2.0
111.04430	3.5
119.04948	5.5
119.21273	0.6
121.06503	1.5
123.04467	1.0
127.03898	0.8
137.05974	84.6
138.06297	1.6
139.03917	1.5
147.04401	10.1
155.07040	1.4
165.05475	13.6
183.06512	16.7
185.47298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03951	2.0
55.01872	6.4
55.05500	7.3
57.03443	1.2
60.36046	1.0
65.03924	2.8
65.89397	1.4
67.05498	66.7
68.33690	0.9
69.03423	19.5
69.07062	4.0
70.95618	1.3
71.04987	2.9
71.28835	1.1
75.44004	1.0
79.05482	8.7
81.03428	1.8
81.07049	19.9
85.06547	1.1
91.05475	21.1
93.07040	14.2
95.04971	11.7
95.08598	49.1
95.77642	1.1
97.06510	1.6
98.98451	6.7
103.05486	1.5
105.06997	8.6
107.08608	9.8
109.02867	2.5
109.06514	12.1
109.10145	68.1
117.07018	4.8
119.06036	1.2
119.08568	37.1
119.09426	2.4
120.08904	1.3
121.06508	1.5
121.10115	1.7
123.04459	2.1
123.08057	100.0
124.08387	2.3
125.05978	2.1
127.07592	1.2
129.06979	2.7
137.06013	2.0
137.09601	80.4
138.09903	2.4
147.08040	17.0
154.68163	0.9
155.10559	1.3
165.09090	29.9
165.10423	2.0
183.10201	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54630	0.5
56.96556	1.5
61.59492	0.4
69.79591	1.4
73.49999	0.5
82.99829	3.6
86.09692	0.5
95.46359	0.4
98.97579	1.6
100.02498	0.7
101.00880	39.0
102.00967	1.1
109.51553	0.5
115.02441	1.1
116.98621	0.9
117.03976	0.5
119.01917	100.0
120.01992	3.9
120.14506	0.4
124.02455	1.8
133.03458	0.8
137.02953	23.8
138.03053	0.8
138.08023	0.5
142.03496	20.4
143.01901	1.3
143.03633	1.6
157.03439	1.9
160.04568	6.8
161.02946	10.0
161.04300	0.8
175.04514	0.9
179.04002	9.2
179.05481	0.9
184.04387	4.7
184.05975	0.7
184.13341	0.9
185.03015	1.3
202.05652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64132	0.2
57.02512	0.2
60.00631	0.2
70.92492	0.2
73.74134	0.2
75.87865	0.2
82.99815	1.6
101.00876	22.0
101.95016	0.2
102.00925	1.1
115.02419	0.2
118.03503	0.3
119.01915	100.0
120.01995	3.6
121.02344	0.4
124.02431	1.3
125.02516	0.2
137.02953	35.6
138.03049	1.4
142.03496	18.9
142.89575	0.2
143.01903	0.3
143.03661	1.7
157.03387	0.3
160.04549	6.9
161.02956	6.8
161.04787	1.5
162.03082	0.3
162.04341	0.3
164.03900	0.2
165.05048	0.3
179.04007	9.8
179.05632	0.6
180.04132	0.3
184.04536	1.6
184.09721	0.3
184.17026	0.3
202.05534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12526	0.3
71.31656	0.6
71.94116	0.3
80.91145	0.4
81.03408	0.4
82.99828	2.5
86.09700	1.6
91.98547	0.3
95.06009	0.3
100.02511	0.4
101.00876	33.3
102.00962	1.5
119.01914	100.0
120.02007	4.0
121.02432	0.4
124.02426	2.2
124.99983	1.2
133.01651	0.8
134.76596	0.4
137.02951	21.5
138.03030	0.6
142.03496	19.2
143.01901	0.6
143.03604	1.5
154.44655	0.3
156.03215	0.7
157.03514	0.7
160.04527	5.7
161.02957	8.0
161.04611	1.5
179.02431	0.5
179.04010	9.6
179.05492	0.5
184.04515	1.9
184.07333	1.2
202.05634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.06257	0.5
56.05045	1.2
58.06603	1.0
60.08161	19.6
71.07374	8.9
86.09701	100.0
87.10048	0.6
89.60912	0.5
97.68159	0.6
98.23080	4.9
98.98456	16.0
101.95054	2.4
102.96860	0.7
104.10745	4.0
104.72876	0.5
119.53861	0.5
119.96071	1.3
122.16953	0.5
124.99995	76.4
134.19493	0.5
137.97096	0.5
143.00967	0.6
161.04587	0.6
184.07332	98.0
185.07674	0.6
197.70085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.72847	0.5
56.05043	1.2
58.06615	0.9
60.07872	1.1
60.08163	19.3
71.07374	10.0
86.09702	100.0
87.10044	1.0
92.77984	0.6
98.22683	2.0
98.98465	19.9
100.42326	0.5
101.95026	1.8
104.10733	5.0
119.96017	0.7
124.99998	83.9
143.00990	0.8
154.64484	0.6
184.07335	97.7
185.07584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.86506	0.4
56.05022	1.3
58.06605	0.8
60.08160	18.4
71.07366	12.6
77.07979	0.4
80.97434	0.4
82.57489	0.4
83.39072	0.4
86.09699	100.0
87.10024	1.1
98.22670	1.3
98.98462	18.3
101.95020	2.7
104.10726	5.1
119.96077	1.6
124.99992	78.1
126.00300	0.4
137.97084	1.1
143.01004	0.9
143.03595	0.5
158.15381	0.4
161.04622	0.4
166.02658	0.6
184.07326	86.2
185.07619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89426	64.7
71.00281	89.4
83.12515	65.4
85.13919	67.7
119.01984	92.6
120.02068	100.0
127.29002	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	Genipic acid
Peak:m/z	Relative Intensity
53.03938	4.2
67.05474	3.9
71.03732	7.1
77.03910	5.5
79.05489	30.2
81.03408	100.0
83.04966	8.0
83.18886	3.6
86.09718	7.7
89.32261	4.2
91.05489	20.3
93.07034	57.2
95.04967	21.5
97.06522	15.5
103.05461	6.3
105.04487	5.1
107.04966	20.2
107.06072	7.5
109.02859	24.6
109.20773	4.2
111.08074	4.4
121.06487	73.6
123.04410	3.8
125.05992	15.8
126.01086	11.0
139.07552	7.8
149.05975	65.4
149.07050	6.4
163.01894	4.4
167.07063	18.0
185.05899	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	185.0808
Annotation	Genipic acid
Peak:m/z	Relative Intensity
51.96677	3.2
55.01880	3.3
55.68945	3.3
63.39781	3.6
77.03912	5.4
79.05495	31.7
81.03411	100.0
83.04976	9.6
85.02895	7.7
91.05472	19.5
93.07040	40.8
95.04948	23.4
97.06510	17.2
103.05463	7.9
105.04520	8.8
107.04944	21.0
109.02873	18.1
111.08078	3.1
115.77971	3.2
121.05628	3.6
121.06505	75.0
125.05975	18.7
130.05009	12.9
139.58842	3.5
149.05969	57.6
149.07057	6.0
167.07047	25.4
186.11215	12.0
188.40393	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03932	3.6
54.00176	1.5
54.33546	1.8
55.01854	3.1
55.05498	6.4
57.03425	7.3
59.04984	2.2
67.05505	16.1
68.99731	1.8
69.03438	2.1
69.07062	3.9
70.06587	11.6
71.04989	2.9
71.15334	2.9
73.04567	1.7
77.03934	3.2
79.05490	46.2
81.07056	39.7
83.04971	3.3
89.03909	15.1
91.05476	36.7
93.07040	100.0
95.04960	13.4
95.08601	51.3
95.49044	1.8
103.05473	1.9
105.04507	2.9
105.07029	17.7
107.04936	4.5
107.08588	15.1
109.06504	3.2
109.10157	9.9
111.08056	10.4
116.01658	1.7
116.06227	5.3
117.03383	21.6
119.08565	12.5
121.06488	4.5
121.10141	38.9
123.08038	2.2
129.07031	4.0
130.06595	2.6
131.08560	30.1
137.09605	19.7
139.11176	4.6
145.02846	27.1
147.82195	1.6
149.09627	18.1
158.05945	5.6
167.10643	7.4
170.62270	1.6
185.11726	5.8
186.05519	4.0
193.96808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.05503	6.7
57.07063	5.3
59.05002	4.3
64.48914	2.6
67.05499	7.6
68.99781	4.4
69.07054	6.7
71.43274	3.5
75.04463	3.4
79.05485	21.4
80.79015	2.7
81.07053	56.3
86.09681	3.1
89.03899	4.3
91.05433	6.6
93.07041	47.7
95.04954	5.2
95.08597	26.4
97.06517	8.9
102.96851	4.2
105.07014	20.6
107.08579	7.9
111.08120	3.1
117.03384	6.4
118.62653	3.0
119.05993	3.4
120.97909	3.9
121.07666	3.4
121.10141	100.0
123.08063	3.2
123.11675	10.1
125.05963	5.8
129.06886	3.2
131.08589	3.0
139.11191	12.6
145.02817	8.1
149.07097	3.0
149.09608	7.4
157.10170	2.5
167.10677	3.8
185.13191	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	185.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.7
57.07063	5.3
59.05002	4.3
64.48914	2.6
67.05499	7.6
68.99781	4.4
69.07054	6.7
71.43274	3.5
75.04463	3.4
79.05485	21.4
80.79015	2.7
81.07053	56.3
86.09681	3.1
89.03899	4.3
91.05433	6.6
93.07041	47.7
95.04954	5.2
95.08597	26.4
97.06517	8.9
102.96851	4.2
105.07014	20.6
107.08579	7.9
111.08120	3.1
117.03384	6.4
118.62653	3.0
119.05993	3.4
120.97909	3.9
121.07666	3.4
121.10141	100.0
123.08063	3.2
123.11675	10.1
125.05963	5.8
129.06886	3.2
131.08589	3.0
139.11191	12.6
145.02817	8.1
149.07097	3.0
149.09608	7.4
157.10170	2.5
167.10677	3.8
185.13191	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	185.1172
Annotation	8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.05498	13.9
58.72166	7.9
67.05475	14.3
68.36918	7.6
69.03422	9.5
69.07058	16.4
70.30038	8.7
70.30365	16.9
70.52049	8.9
79.05493	17.6
81.07059	76.3
83.05003	13.5
89.03909	22.4
91.05437	11.0
93.07043	61.3
95.08597	29.1
98.23378	11.3
102.94911	9.3
102.96848	19.2
105.07044	16.6
107.08578	15.7
111.07964	8.9
113.82035	7.8
117.03406	39.7
119.06081	10.9
120.97907	12.6
121.07616	24.4
121.10132	100.0
123.11710	18.9
129.07014	9.6
137.07034	10.6
138.03087	8.9
138.98911	13.7
139.11159	22.4
144.11511	8.3
145.02823	37.7
149.07108	25.5
165.30998	8.7
167.08185	13.4
185.09299	26.3
185.13150	9.4
186.05585	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	185.1324
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.01883	1.4
55.05515	1.3
57.07084	0.9
69.07064	0.8
70.55961	1.1
79.05493	4.5
91.05487	1.7
91.34306	0.6
102.09208	1.2
102.96859	4.2
105.07031	1.8
107.06091	0.9
112.68307	0.6
115.05444	3.0
117.07011	1.1
119.08578	3.3
120.97896	3.0
121.07562	1.3
128.06210	9.1
129.07008	17.5
129.07951	1.4
130.07372	0.7
131.04909	0.9
137.07082	0.8
138.98923	1.8
141.06966	17.5
142.07770	71.7
143.08559	24.4
144.05711	0.7
144.09325	1.4
145.06447	1.2
145.10127	1.0
149.07088	1.8
152.06210	3.9
154.07719	1.0
155.08543	35.4
156.05740	1.0
156.09343	24.8
157.06482	2.1
157.10115	86.0
158.10423	2.4
159.08009	0.9
162.04269	0.9
165.07025	1.5
167.08533	7.8
169.06441	1.8
169.07675	1.1
169.10098	4.3
170.07285	12.0
170.10893	99.6
171.07982	1.3
171.11246	3.3
183.07988	1.2
183.11533	0.7
185.05954	1.2
185.09618	67.7
185.13234	100.0
186.10155	2.6
186.13570	3.3
186.18385	1.6
190.44002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.01884	1.6
55.05518	1.2
55.38752	0.6
59.05884	0.7
60.95847	1.2
70.74298	1.4
77.03938	1.0
79.05493	3.0
91.05509	1.4
93.07069	1.0
102.96846	3.7
105.07079	1.4
110.03457	0.7
113.84011	0.6
115.05482	2.2
119.08590	2.9
120.97904	4.3
121.07608	2.0
126.02361	0.7
128.06229	5.8
129.07002	12.7
138.98944	3.1
140.29121	0.7
141.06978	14.4
142.07776	58.1
143.08557	22.4
143.44151	0.8
144.09326	1.7
145.10059	0.9
149.07085	1.6
152.06180	2.1
153.06969	1.1
154.07712	1.7
155.08553	32.1
156.05675	0.7
156.09341	27.2
157.10124	92.6
158.10486	1.5
165.07062	0.9
166.07744	1.0
167.08580	5.5
169.10121	4.2
170.07333	6.1
170.10901	98.3
171.11244	2.9
185.09634	38.1
185.13246	100.0
186.10098	1.5
186.13560	3.9
196.16383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1125
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
56.05035	0.8
57.07072	15.9
63.35798	0.7
69.03410	1.1
70.31249	0.8
70.68326	0.8
74.09718	5.8
81.03410	0.9
84.04497	17.6
85.02900	34.0
85.03414	1.7
87.04452	1.6
94.07367	0.8
95.01328	2.6
97.74295	0.7
102.05540	17.0
102.06230	0.9
108.05268	0.9
109.32269	0.7
109.47617	0.8
112.03957	2.0
115.66155	0.6
122.06853	1.1
130.04996	100.0
131.05376	1.0
150.06319	1.0
158.11758	1.8
170.21169	0.7
186.11241	84.3
187.11620	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66914	0.2
68.05042	0.3
69.11551	0.4
69.11968	0.9
70.06588	100.0
71.06921	0.9
89.03896	1.1
100.47956	0.2
117.03371	2.0
121.00761	0.3
122.06021	0.2
130.06526	0.3
135.04434	0.3
139.01842	0.5
140.07065	0.4
140.14336	0.4
145.02837	2.8
158.06003	0.7
163.01855	0.6
168.13818	2.6
181.02858	0.9
186.05496	0.5
186.11378	0.4
186.14880	1.2
187.07529	0.4
191.97755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
55.01876	11.8
57.62265	1.4
58.06591	1.7
67.05507	1.3
69.03422	2.3
69.28994	7.4
70.06590	1.6
71.01353	19.2
72.04516	2.0
72.08148	2.0
81.03418	2.8
83.01333	2.2
83.08631	2.5
84.08122	1.8
86.18807	1.2
87.15599	1.2
88.02220	5.5
88.03967	1.9
91.05476	65.7
98.22730	2.6
99.04446	1.4
103.05473	3.9
105.07018	2.1
109.06502	1.5
112.11240	1.8
114.09171	5.1
115.05451	34.0
116.06248	21.4
117.03396	1.4
117.07030	18.6
118.03695	1.5
128.00795	3.2
128.06239	7.9
128.07053	1.4
129.06995	27.5
131.04907	15.7
131.08565	86.3
137.87267	1.4
141.06989	84.8
142.03264	1.2
142.08562	1.3
144.05707	29.7
145.06471	6.3
146.03204	1.4
155.06073	1.7
157.06483	17.3
158.07289	15.9
159.06975	3.5
159.08052	81.0
160.08432	2.1
163.91205	1.2
169.06470	17.7
169.07672	4.7
171.14911	4.5
172.05244	1.7
187.06291	3.8
187.07532	100.0
188.07887	4.0
188.17578	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	187.1329
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.12836	0.9
53.03946	1.7
55.01888	0.9
55.05257	1.3
55.05509	16.4
57.07068	3.3
61.32754	1.0
64.65897	0.9
65.03935	1.2
67.05499	23.1
69.03426	3.0
69.07063	8.2
69.66174	2.0
69.66548	3.2
71.04984	11.4
71.08614	1.1
74.11005	0.8
79.05484	6.7
81.07051	100.0
82.07379	1.7
83.08605	2.8
84.38099	0.9
85.06541	11.0
89.06023	1.6
91.05473	2.3
91.34145	0.8
93.07038	10.0
95.04971	8.1
95.08598	19.0
97.10150	8.2
98.22693	1.0
99.08066	2.2
99.65855	0.8
101.27122	0.8
105.07003	4.8
107.08601	4.3
109.06496	3.4
109.10136	6.3
111.08101	1.1
113.05996	1.4
114.09125	1.1
119.08564	1.9
123.11695	44.7
125.09641	1.4
127.11183	3.3
129.06996	3.1
131.08582	2.6
133.10127	5.1
144.05663	1.2
144.09302	2.2
145.10132	2.0
151.11185	5.4
159.06911	1.1
159.08086	1.6
159.11688	4.9
160.43237	0.9
169.12244	2.8
172.05147	1.3
172.08809	1.4
177.67656	1.1
187.07541	5.6
187.11153	14.6
187.12698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.03956	2.3
55.05506	15.8
57.03422	1.9
57.07067	5.1
67.05503	21.8
69.07076	9.0
71.04983	11.6
79.05495	4.8
81.03419	1.8
81.07048	100.0
83.08601	2.9
85.06520	4.2
88.02222	5.6
91.05488	3.0
93.07036	9.4
95.04947	6.8
95.08592	19.9
97.10173	11.6
103.05453	2.2
105.07045	5.7
107.08563	3.2
109.06523	3.2
109.86169	2.0
117.06983	2.2
118.03720	2.2
119.08559	3.6
123.11692	43.8
129.07024	3.9
131.08563	5.7
133.10110	5.0
141.07040	2.1
144.05675	5.2
144.09326	2.7
145.10118	6.8
146.03221	2.5
151.11192	3.4
159.08054	2.6
159.11705	6.8
169.12199	2.7
172.05211	3.0
187.03810	2.7
187.07498	18.1
187.11165	21.2
187.14827	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.03920	1.0
55.05510	14.7
57.03432	2.2
57.07076	5.6
59.05009	1.3
65.10406	1.0
67.05161	1.5
67.05504	22.2
69.03426	2.9
69.07072	7.7
71.04993	10.8
79.05500	7.4
81.07053	100.0
82.07407	1.2
83.08622	2.8
85.06534	6.0
85.22561	0.9
88.02219	2.5
89.06042	1.2
90.04250	1.8
91.05492	3.1
93.07042	9.2
95.04948	8.5
95.08596	25.0
97.10168	8.3
99.04472	1.0
99.08072	1.5
104.57660	1.0
105.07034	3.5
107.08582	4.1
108.72818	1.1
109.06552	3.5
109.10169	1.6
111.08090	2.6
113.06048	1.3
117.03441	1.3
117.14914	0.8
117.15869	1.0
118.03704	3.6
121.10178	1.0
123.08109	1.1
123.11705	43.5
124.12041	1.7
127.03957	1.0
131.08592	1.6
133.10143	2.7
134.54640	1.0
140.93655	0.9
145.10162	2.8
146.03218	4.0
151.11201	4.2
159.06999	1.5
159.11671	1.8
169.12257	2.7
171.49484	1.0
187.06004	1.2
187.07581	4.5
187.11151	2.1
187.14842	2.5
188.17546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05499	1.9
57.07067	5.3
65.03947	0.7
67.05496	9.7
69.07061	3.4
79.05494	6.8
79.65081	0.7
81.03423	1.2
81.07056	8.2
83.08610	1.7
88.02212	5.7
91.05471	22.8
93.07035	7.9
95.08598	7.1
103.05488	1.0
105.07024	24.9
107.08598	4.8
109.10130	1.1
115.05463	2.1
116.06256	1.7
117.07011	19.9
119.08572	18.4
121.10138	2.9
123.44247	0.7
128.06218	1.2
129.06993	6.0
130.07771	5.6
131.08559	60.8
132.08861	1.7
133.10126	5.1
141.07001	0.9
143.08548	5.3
144.09344	3.8
145.10112	94.1
146.10518	1.7
157.10107	3.3
158.10884	2.4
159.06926	1.1
159.08084	1.5
159.11682	18.1
169.10147	1.2
172.12428	1.7
185.13335	1.4
186.22203	1.1
187.07559	2.7
187.11320	4.5
187.14803	100.0
188.15179	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	187.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14147	0.8
55.05499	1.7
57.07077	4.3
58.76286	0.8
67.05493	1.5
67.30824	0.8
71.08635	1.2
79.05487	2.6
81.07047	3.3
83.08622	2.0
83.27016	0.8
88.02215	8.0
91.05473	3.7
93.07008	1.9
95.08604	1.3
100.72638	0.8
104.99255	1.2
105.07030	8.2
107.08614	1.5
109.07623	1.1
116.06267	0.7
117.07015	5.9
119.08575	8.2
128.06215	0.9
129.06981	3.7
130.07732	5.8
131.08566	10.4
133.10106	2.1
143.08545	7.8
144.09338	3.3
145.10120	100.0
146.10448	2.7
157.10098	6.9
157.48692	0.9
158.10895	5.2
159.07005	2.2
159.11681	12.6
172.08821	1.6
172.12485	6.9
186.22159	2.9
187.07564	5.9
187.11258	5.3
187.14810	59.7
188.15154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.62657	0.4
52.15189	0.3
53.58435	0.3
55.05497	0.5
57.07059	0.9
57.14286	0.4
67.05495	0.6
71.43527	0.4
74.39424	0.4
79.05488	1.2
81.07051	2.3
83.08591	1.0
88.02208	3.6
91.05473	2.7
104.99257	0.7
105.07018	5.8
108.49843	0.5
115.05453	0.7
117.07011	4.6
119.08561	8.0
128.06180	1.3
129.06995	1.7
130.07773	4.9
131.08554	5.0
133.10138	1.9
141.06924	0.6
142.07755	0.5
143.08540	7.0
144.09326	2.0
145.10104	100.0
146.10435	2.1
146.91833	0.5
157.10100	7.8
158.10909	5.8
159.06969	1.0
159.11676	11.3
170.10942	0.7
172.10995	0.5
172.12456	9.2
173.13118	0.4
185.13258	0.7
186.22156	0.8
187.07510	2.6
187.11192	1.3
187.14798	68.2
188.15189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05519	0.4
57.07073	0.9
61.67981	0.3
65.26681	0.4
67.05493	0.6
76.02251	0.4
79.05484	1.0
81.07050	1.6
83.08613	1.4
88.02222	4.5
91.05493	2.0
93.07065	0.6
100.70808	0.4
103.05418	0.6
104.99264	0.8
105.07032	5.3
116.06236	0.5
117.06267	0.7
117.07016	5.0
119.08563	6.8
128.06201	0.8
129.06999	1.8
130.07782	4.1
131.08554	4.0
133.10153	1.7
142.07814	0.5
143.08557	7.6
143.59903	0.4
144.09338	1.6
145.10117	100.0
146.10457	2.1
146.91795	0.6
157.10130	7.9
158.10876	4.9
159.06953	1.0
159.11679	10.5
170.10841	0.7
172.12459	9.5
173.13170	0.4
185.13251	0.6
185.20740	0.4
186.22235	0.9
187.06180	0.5
187.07541	4.3
187.11212	1.4
187.14812	70.9
188.15179	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.14796	0.3
53.94468	0.3
67.54420	0.4
69.61535	1.2
69.61938	0.7
74.13670	0.3
80.92796	0.3
81.01067	0.3
91.05467	4.7
92.75704	0.4
98.22747	0.7
115.05449	6.0
116.06235	0.6
117.05749	1.5
117.07012	4.3
118.06534	66.1
119.06901	0.8
128.04973	0.7
132.08099	0.7
142.06520	6.0
143.07297	12.0
144.04411	1.1
144.08075	24.3
144.74368	0.3
145.06470	0.5
146.05997	100.0
147.06322	1.9
155.06023	1.7
160.07556	1.1
161.69849	0.3
170.06007	8.7
177.89032	0.4
178.43654	0.3
188.07059	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	188.0706
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
59.02926	0.3
64.50889	0.3
70.06615	0.3
70.47585	0.8
73.67771	0.3
75.38099	0.3
78.04046	0.4
91.05474	4.5
94.32171	0.3
96.09212	0.3
99.04257	0.3
99.37639	0.3
103.05475	0.5
115.05453	6.1
116.04934	0.4
117.05724	1.5
117.07022	4.6
118.06536	72.4
119.06870	1.3
132.08060	0.5
142.06522	6.0
143.07300	11.7
144.04451	0.7
144.08080	24.7
145.06508	0.6
145.08429	0.6
146.05998	100.0
147.06354	2.0
155.06032	1.4
160.07550	1.2
170.05995	9.8
188.07054	19.6
189.07321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00142	0.3
60.29681	0.3
70.57586	0.6
70.57921	0.6
89.09433	0.3
91.05482	4.2
115.05460	5.5
116.06272	0.4
117.05769	1.6
117.07009	3.9
118.06537	69.3
119.06856	1.2
125.32440	0.3
132.08067	0.4
137.53114	0.3
142.06529	5.9
143.07295	11.9
144.04437	0.6
144.08080	23.6
145.06572	0.6
145.08392	0.5
146.06000	100.0
147.06331	1.6
155.06013	1.0
157.78964	0.4
160.07581	1.2
170.06006	9.0
177.49324	0.3
188.07063	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12205	0.3
69.64823	1.3
73.49981	0.3
77.02441	0.4
88.49963	0.3
91.05469	4.2
114.89906	0.3
115.05451	5.6
116.06245	0.6
117.05766	1.7
117.07002	4.7
118.06538	69.1
119.06860	1.1
128.05005	0.4
130.12401	0.3
132.08101	0.7
137.36720	0.3
142.06522	6.8
143.07300	12.9
144.04430	1.0
144.08083	25.0
145.06477	0.8
145.08423	0.4
146.06000	100.0
147.06360	1.7
155.06020	1.0
160.07588	1.0
170.05997	9.3
188.07056	18.4
189.07489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1758
Annotation	N8-Acetylspermidine
Peak:m/z	Relative Intensity
53.24883	0.8
53.76970	0.8
56.05038	1.2
56.96560	0.8
58.06601	41.2
60.04515	3.4
60.08162	3.5
70.06593	4.6
70.06914	0.9
70.35509	1.4
70.35826	1.0
72.04519	16.3
72.08155	71.6
75.09221	1.3
84.04565	0.9
84.08141	44.8
85.08483	1.2
96.04456	1.2
100.07619	38.5
106.64206	0.9
112.11241	34.5
114.05529	1.4
114.09166	87.4
115.09526	2.2
116.07155	1.3
117.10242	3.7
119.01920	2.2
120.01971	1.0
121.01632	2.0
129.13873	2.6
130.08630	4.8
130.12216	1.8
131.11816	11.3
142.03490	1.9
142.04971	1.1
143.11752	5.9
146.02985	1.2
159.84441	0.9
160.04608	1.8
170.16467	2.5
171.14920	100.0
172.15268	2.2
184.03526	0.9
188.17581	91.5
189.13338	0.9
189.15982	2.7
189.17737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39439	0.5
61.01127	4.3
67.02962	0.5
69.55510	1.9
75.02686	1.0
77.00601	30.9
78.00597	0.6
79.02172	2.4
90.01778	0.6
93.03735	1.2
95.01640	100.0
95.92549	0.6
96.01561	0.7
96.99549	0.8
99.02648	5.6
101.04240	2.9
113.01963	0.9
113.02682	5.7
117.03688	4.2
118.03213	8.3
119.01617	4.9
121.03175	6.1
145.06813	2.5
147.04710	33.2
149.02347	1.0
165.05812	4.7
189.09384	6.5
189.13942	1.3
205.92622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1121
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
50.27496	3.7
55.01871	4.8
55.05510	31.2
55.11855	4.0
57.03432	51.8
57.07073	85.0
61.02925	15.5
67.05492	14.6
69.03420	15.6
69.07063	34.3
69.84285	7.7
69.84624	8.6
71.04987	7.5
71.08635	5.3
73.02916	12.1
79.05486	27.0
81.07048	48.4
83.04977	12.0
83.08617	17.1
85.02916	20.2
85.06542	42.1
87.04480	3.9
91.05487	12.4
93.07043	15.7
94.97375	3.7
95.04948	6.2
95.08622	10.8
97.02885	4.4
98.23304	5.6
99.08109	9.3
103.03959	3.8
107.08585	8.6
109.06514	5.9
111.04405	4.1
111.08060	11.2
123.08060	5.2
125.09619	4.7
127.07555	100.0
129.09116	4.9
141.09157	5.8
153.09094	30.3
171.10127	4.9
199.41318	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56425	0.6
55.01868	4.7
55.05498	2.9
60.49224	0.6
63.21985	0.7
66.49459	0.7
67.05509	1.0
69.03429	1.5
69.07071	1.4
69.35059	1.2
69.35461	2.3
79.05475	2.0
80.24332	0.6
81.07045	1.2
83.04984	1.9
85.88377	0.5
91.05475	4.7
93.07017	2.3
95.04932	1.3
105.07024	7.8
107.08581	2.0
115.05474	0.9
117.07007	2.1
119.08570	21.9
121.06474	1.1
121.10118	3.7
128.06195	1.7
129.06972	1.9
130.07704	0.8
131.08562	5.0
133.06474	2.0
133.10120	20.7
135.08023	2.9
141.06978	1.8
143.08560	3.3
145.06448	2.8
145.10123	2.6
146.10858	1.0
147.08040	10.6
147.11687	10.9
149.09596	2.7
155.08453	0.8
156.09357	9.2
159.08037	29.0
159.11694	3.1
160.05125	1.3
160.08847	4.8
161.05974	2.8
161.09592	3.9
161.13239	18.3
171.11658	8.5
173.09605	2.6
174.10393	67.3
175.10739	1.4
187.11159	1.5
189.05374	1.2
189.09238	3.6
189.12726	100.0
189.16351	2.2
190.13054	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.3
61.36580	1.4
69.03419	6.7
69.07062	1.8
70.69579	2.2
79.05477	3.8
81.07067	2.8
83.08614	3.0
84.08160	1.7
85.02933	1.5
91.05482	9.0
93.07049	2.1
95.04960	1.8
97.10145	4.6
98.23326	1.6
105.07020	18.3
107.08605	3.9
115.05432	2.4
117.07001	5.8
119.06872	1.9
119.08573	25.1
125.09618	4.7
128.06198	5.1
129.07008	3.3
130.07767	4.6
131.08548	10.6
131.38239	1.5
132.09386	1.3
133.06471	3.4
133.10132	6.5
135.08064	1.4
141.06956	9.8
143.08537	6.5
145.06506	2.1
145.10117	21.1
146.06038	1.3
146.07353	1.4
147.08060	9.5
147.11682	32.3
147.12837	1.6
155.08545	3.4
156.09343	53.5
159.08070	8.3
159.11696	11.4
160.08827	2.2
161.09622	2.8
161.13240	3.3
171.11681	62.4
172.12032	2.0
173.09631	1.6
174.10410	10.1
189.05391	2.0
189.09132	7.1
189.12733	100.0
190.13176	2.3
209.67349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11329	1.0
55.05487	3.4
56.05022	1.3
58.06575	2.2
67.05492	1.8
69.03426	6.1
69.07036	2.3
69.21740	5.6
71.04980	1.1
71.79566	1.0
72.08141	1.8
79.05489	2.1
81.07025	2.0
83.04945	1.4
84.08107	2.2
85.02893	2.0
91.05470	9.3
93.07029	2.2
93.21757	0.9
95.04983	1.7
95.08620	1.3
100.07603	1.1
105.06340	1.7
105.07020	21.9
107.08567	3.1
109.06505	1.2
114.09194	2.0
115.05439	2.4
115.09557	1.0
117.06999	5.8
119.04913	1.4
119.08572	36.1
121.06445	1.1
121.10117	1.2
128.06197	5.2
129.06972	5.1
130.07732	2.9
130.08615	1.0
131.04883	1.5
131.08562	10.1
133.06454	3.4
133.10136	11.0
135.08029	3.1
141.06970	7.4
143.08543	5.9
144.09297	1.7
145.06454	2.3
145.10109	17.3
146.07259	1.0
146.10873	2.5
147.08035	12.6
147.11670	34.9
153.06931	1.0
155.08545	2.1
156.09335	35.5
157.06413	1.3
157.09637	1.0
159.08046	13.4
159.11639	7.0
160.05151	1.2
160.08766	4.5
161.05949	1.8
161.09605	5.7
161.13237	13.1
171.08040	1.1
171.11670	44.1
172.15192	1.7
174.06844	1.3
174.08997	1.7
174.10374	18.3
189.05406	2.2
189.09102	3.6
189.12718	100.0
190.13010	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	189.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.6
58.06611	0.3
60.08158	22.7
61.46529	0.3
64.87604	0.3
67.05501	2.8
69.07058	0.4
70.06586	4.7
71.42142	0.3
74.02433	0.7
74.07194	1.9
75.37153	0.3
77.29513	0.3
84.08134	100.0
85.06529	1.2
85.08469	0.5
86.09724	0.7
93.85602	0.3
104.78739	0.3
115.08661	0.4
116.07074	1.9
130.08627	34.9
131.08995	0.4
144.10162	0.3
144.11282	1.2
144.13818	3.2
150.45975	0.3
158.34837	0.3
189.13365	0.8
189.15958	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.10439	0.4
55.05502	5.8
56.22268	0.6
57.03427	2.1
57.07064	1.5
59.91118	0.5
65.03939	0.7
67.05500	4.7
69.06759	0.5
69.07068	6.3
71.42791	0.5
79.05492	4.9
81.07052	13.5
83.08608	2.2
91.05473	13.2
93.07047	6.2
95.04941	0.6
95.08601	19.2
97.10148	0.8
103.05511	0.6
105.07025	41.0
106.07368	0.7
107.08586	10.1
109.06481	0.6
109.10151	5.8
117.07009	1.6
118.07821	0.6
119.08577	42.3
120.08940	0.6
121.10140	6.6
126.46593	0.5
128.06215	1.2
129.31819	0.5
131.08553	5.1
133.10123	47.7
134.10526	1.2
141.06969	0.9
143.08583	2.8
143.09534	0.5
145.10075	4.2
146.10846	1.1
147.08006	2.1
147.11682	18.9
149.02306	1.1
156.09344	3.1
159.08182	0.6
159.11649	1.4
160.12465	1.2
161.09612	0.8
161.13242	7.7
171.11678	1.8
174.14041	1.5
187.14857	0.6
189.05411	0.7
189.09044	1.4
189.12778	8.8
189.16373	100.0
190.16679	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
54.41957	0.6
55.05502	7.6
55.83814	0.5
57.07059	0.7
59.25000	0.5
61.34732	0.5
66.02779	0.5
67.05501	5.0
69.07063	11.2
71.43575	0.5
73.25662	0.5
79.05482	3.4
81.07064	7.0
83.08609	4.0
91.05476	13.3
93.07034	5.7
95.08601	25.0
97.10178	0.6
103.05486	0.7
105.07027	26.9
106.07347	0.8
107.07924	1.0
107.08589	12.1
109.10143	4.2
115.05402	0.7
117.07019	2.1
119.08573	100.0
120.08912	2.1
121.10136	5.6
123.08138	0.6
131.08551	6.6
133.10123	44.6
134.10930	0.7
142.98634	0.6
143.08537	1.2
145.10115	8.4
146.10956	2.7
147.08043	0.9
147.11688	30.5
148.11998	0.8
149.02347	0.7
159.11688	3.3
160.08759	0.6
160.12454	2.4
161.13246	7.7
166.53253	0.5
174.10413	1.1
174.13953	2.4
189.12752	3.3
189.16380	76.0
190.16743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03949	0.7
55.01859	4.4
55.05508	1.5
57.03439	1.0
61.06876	0.7
61.27160	0.7
65.03937	0.7
67.05495	8.1
69.03420	2.1
69.07074	1.4
70.56467	1.6
71.04987	3.0
77.03925	1.4
79.05482	23.0
81.07053	2.2
83.04962	4.0
91.05470	35.7
93.07036	11.4
93.07596	0.9
95.04942	5.7
96.05718	0.9
97.06534	0.9
103.05453	2.2
105.07024	21.0
107.04939	12.5
107.08578	15.5
108.05721	1.5
109.06493	3.5
111.04432	0.8
115.05447	3.3
116.06230	3.9
117.07008	21.2
117.17947	0.7
119.08578	15.4
121.06492	11.2
121.10126	6.6
123.08076	1.1
128.06242	2.4
129.06992	13.2
130.07808	5.8
131.04907	1.4
131.08553	100.0
132.05714	0.8
132.08907	2.0
133.06485	1.8
133.10168	1.1
135.04424	4.1
135.08064	4.6
135.11658	1.6
143.08531	4.0
145.06482	8.5
145.10107	50.4
146.10382	0.8
147.08041	14.4
148.36247	0.8
149.05983	2.6
149.09601	22.4
153.07027	1.0
155.08565	4.2
158.07137	1.0
160.05014	2.9
163.06195	1.3
163.07520	20.6
163.11159	8.3
167.06857	0.9
173.09599	29.1
173.13177	1.5
191.10645	76.9
191.14261	3.0
192.11012	1.3
201.98431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Ligustilide
Peak:m/z	Relative Intensity
53.03940	3.0
55.01845	1.3
55.05497	3.9
55.27431	0.7
57.03428	1.4
65.03926	1.7
67.05502	11.8
69.07056	2.7
73.61536	0.9
77.03912	1.6
79.05489	23.7
80.05028	1.6
81.03413	2.1
81.06564	1.6
81.07050	38.5
83.04981	3.4
91.05476	49.6
93.07034	15.6
94.07823	1.1
95.04962	6.2
95.08598	3.8
97.02892	1.9
97.06541	1.2
98.22673	3.2
99.04430	1.8
101.27428	0.9
103.05487	4.9
105.04511	2.0
105.07023	55.6
106.07292	1.3
107.04942	11.9
107.08572	10.5
109.06511	2.6
109.10149	1.9
111.04442	4.2
115.05413	4.2
116.06223	2.2
117.07011	31.4
119.04933	1.8
119.07749	1.6
119.08575	23.8
120.08099	2.2
120.08920	1.5
121.06470	2.9
121.10139	4.0
123.04423	4.0
128.06197	1.6
129.06970	4.0
130.07776	15.2
131.04924	3.8
131.08592	10.2
133.06435	1.3
133.10109	2.7
135.04404	53.1
135.08035	3.2
135.11652	4.4
136.04776	1.5
143.08516	6.8
144.05705	1.1
145.06447	3.0
145.10114	100.0
146.10651	1.7
147.11679	8.0
149.05981	6.6
149.09579	2.0
149.13336	1.1
155.08539	3.9
156.74304	1.0
158.07259	3.5
161.09564	1.8
163.07574	1.0
163.11156	4.3
163.14841	1.5
173.09595	22.8
173.13274	4.0
176.12009	1.5
187.40433	1.0
190.16730	1.1
191.08127	1.2
191.10548	27.9
191.14264	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	191.118
Annotation	Cytisine
Peak:m/z	Relative Intensity
53.03933	1.9
55.01865	1.3
55.05517	5.7
57.03444	1.6
57.07072	1.7
62.99714	1.2
65.03944	1.1
67.05499	6.0
68.04047	1.0
68.05027	1.0
68.14762	1.0
69.03426	9.1
69.04548	1.4
69.07067	9.1
71.04973	1.6
71.43604	1.0
79.05473	6.3
80.05020	9.6
81.04538	62.1
81.07058	7.3
82.05321	1.3
83.04977	8.4
83.08619	2.1
85.06538	1.5
87.43728	0.9
91.05475	12.9
93.04527	2.7
93.07037	8.6
94.06567	3.8
95.02432	4.9
95.04955	2.8
95.06096	8.2
95.08591	6.3
97.06523	2.2
103.05482	1.2
104.04980	1.7
105.07030	21.5
106.05289	2.8
107.04939	2.8
107.06076	40.5
107.08585	43.0
108.06858	2.1
109.06515	3.8
109.07619	1.1
109.10141	2.9
113.03492	10.0
115.05479	2.0
117.07027	4.7
118.06527	4.0
119.06065	13.1
119.08588	10.3
120.06834	2.0
121.06597	4.9
121.07606	7.8
121.10151	17.6
123.05579	1.2
123.08047	3.6
129.06998	3.4
130.06506	1.6
130.07770	1.0
131.06047	2.5
131.07315	5.6
131.08557	16.5
132.06866	1.6
133.06654	1.2
133.07599	4.3
133.10123	46.4
134.08385	1.4
135.08051	10.5
135.11714	3.4
136.11192	3.0
137.09645	0.9
143.08527	4.2
144.08035	0.9
144.09328	1.6
145.06505	2.1
145.07558	6.8
145.10114	12.8
146.05991	1.3
146.07141	3.9
146.09605	8.1
147.05504	1.7
147.08046	2.1
147.09155	1.6
147.11681	6.5
148.06299	3.6
149.07097	3.7
149.09633	3.8
149.10710	1.9
149.13237	11.5
156.08060	2.3
157.07625	1.7
158.08405	4.0
158.10913	8.0
160.05057	11.1
161.09598	4.2
162.07849	1.0
163.12300	78.7
164.12665	1.6
173.08299	1.5
173.10793	26.2
173.13213	23.4
174.09154	2.1
176.11916	1.1
179.47423	0.9
191.07039	3.0
191.11787	100.0
191.14302	74.2
192.12178	1.4
192.14671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70904	0.7
53.03931	2.2
55.05502	5.6
57.03207	0.7
57.03432	6.9
57.07079	1.0
67.05483	2.9
69.03411	3.7
69.07061	5.0
71.04978	3.2
79.05479	3.2
81.07050	3.9
83.04531	1.1
83.04977	13.7
84.28815	0.8
85.06518	2.0
91.05473	3.9
93.07045	8.9
95.04900	0.9
95.08594	6.3
97.06522	1.8
105.07031	9.1
107.08591	16.5
109.06504	2.9
109.10113	1.7
117.07019	2.3
119.08565	12.1
121.06462	2.0
121.10122	14.6
123.08053	3.7
129.07010	2.4
130.07729	1.7
131.08562	14.6
133.10121	12.8
135.08046	19.0
135.11679	8.4
136.08762	0.9
137.09567	1.6
143.08542	7.9
144.09279	2.4
145.10126	13.1
147.11705	3.3
149.09602	16.3
149.13229	3.2
158.10912	13.6
161.09596	7.5
162.10287	1.0
163.14780	4.2
171.05455	0.8
173.13242	36.2
175.11130	1.2
176.11958	12.1
191.14290	100.0
192.14673	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01858	2.4
55.05505	7.8
57.03432	7.8
57.07054	2.6
65.03967	1.3
67.05505	4.4
69.03419	3.5
69.07069	10.4
69.83517	3.3
71.04998	1.8
79.05490	10.7
81.07055	7.8
83.04986	9.0
83.08602	3.1
85.06523	1.2
85.60326	0.9
91.04945	1.3
91.05479	16.2
93.07042	24.1
95.04960	2.9
95.08610	7.1
97.06516	1.7
98.23386	1.8
105.04515	1.0
105.07028	22.0
107.04943	2.5
107.08590	36.5
109.06522	4.8
109.10123	1.7
115.05489	1.9
116.06210	1.6
117.07016	3.9
119.06068	1.3
119.08577	18.2
120.08060	1.2
121.06505	6.1
121.10142	26.9
121.10991	1.8
123.08031	4.7
123.11679	2.0
129.06995	4.5
130.07733	2.7
131.08560	27.1
133.06453	1.1
133.10130	22.1
135.08031	17.1
135.11682	10.2
137.09601	1.4
143.08546	6.5
144.09341	3.5
145.10120	15.2
147.07980	2.4
147.11671	8.2
148.08727	1.3
149.09615	17.8
149.13242	11.6
155.76274	1.0
158.10924	12.3
161.09616	7.2
162.10414	1.4
163.11140	2.5
163.14804	8.7
171.28836	1.1
173.09686	1.2
173.13257	38.6
175.11200	2.8
176.11942	10.3
191.11612	2.7
191.14299	100.0
192.14687	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05505	7.6
57.03430	3.9
67.05497	4.0
69.03423	5.5
69.07056	4.3
69.40623	4.5
71.04978	3.1
71.30541	1.0
79.05473	4.4
81.07074	4.7
83.04979	14.6
83.08604	1.4
85.06540	1.7
91.05448	7.3
93.07052	6.8
95.04964	1.6
95.08616	8.7
97.06517	1.4
105.07031	8.9
107.04942	1.1
107.08594	15.5
109.06509	3.0
109.10127	2.3
117.07044	1.6
119.08570	12.6
120.08177	1.3
121.06497	2.1
121.10132	9.8
123.08074	2.8
129.38124	1.0
130.07730	1.5
131.08575	16.9
131.97379	1.1
133.10110	12.9
135.08057	23.9
135.11702	6.7
136.08795	1.5
143.08554	9.1
144.09315	1.6
145.10110	13.0
146.09532	1.1
147.11646	4.0
149.09624	21.1
149.13258	4.1
150.02649	1.0
158.10889	13.3
161.09602	7.1
163.14809	3.4
173.13257	34.4
173.14764	1.7
174.13483	1.1
175.11136	1.0
176.11937	7.4
191.11885	6.4
191.14299	100.0
192.06616	1.1
192.08333	1.4
192.14667	1.6
211.30771	1.2
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
53.03935	1.7
55.05509	8.4
57.03419	4.6
57.07069	2.0
59.04979	2.8
59.82191	1.3
67.05505	6.4
69.03430	11.2
69.07062	9.6
69.12285	5.0
69.12684	2.5
71.04983	2.6
79.05488	11.1
81.07063	10.9
83.04979	7.9
83.08613	5.2
85.06552	1.9
90.32381	1.3
91.05476	22.7
93.07040	17.6
95.04956	6.1
95.08604	10.7
97.06525	6.8
103.05481	1.9
105.07024	39.8
107.04944	1.6
107.08587	47.0
109.06519	6.7
109.10131	9.0
111.08078	2.0
115.05441	1.4
116.06173	1.7
117.07027	6.4
117.07741	1.3
118.07845	1.6
119.08580	20.7
121.06504	6.4
121.10143	27.6
123.08086	6.5
123.11669	1.7
129.06998	5.0
130.07793	2.8
131.08560	51.5
133.10123	100.0
134.10390	1.6
135.08070	16.9
135.11699	3.9
143.08562	10.6
144.09322	3.6
145.06471	1.3
145.10120	28.7
147.08035	2.5
147.11697	12.2
149.09625	10.3
149.13258	21.6
150.10406	3.5
158.10899	15.1
160.05051	5.8
161.09622	3.8
163.07460	2.7
163.11171	4.1
163.14804	4.1
173.09659	3.0
173.13243	53.8
174.13528	1.9
176.12088	2.0
191.10626	8.0
191.14301	86.2
192.07545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38906	1.0
53.03939	2.5
55.01865	3.6
55.05508	9.7
57.07058	2.6
60.57168	1.2
62.59196	1.1
65.03921	2.3
67.05505	9.5
69.03423	31.1
69.07065	14.6
69.90266	4.0
71.04972	1.2
77.03901	1.4
79.05488	61.7
81.07052	54.2
83.04967	14.2
83.08598	2.7
85.06532	3.8
89.82674	1.1
90.64523	1.1
91.05473	25.6
93.07039	24.3
95.04953	9.9
95.08591	8.3
95.83353	1.1
97.06522	5.6
98.22675	2.2
103.05466	1.6
105.04509	3.5
105.07021	26.5
107.04948	34.0
107.08586	77.2
109.06493	7.5
109.10155	10.3
110.07294	1.5
111.08063	2.1
115.05421	3.5
117.07024	6.4
118.07783	1.5
119.06059	2.6
119.08568	10.0
121.06506	18.4
121.10137	27.6
122.07297	4.8
123.08041	3.6
129.07002	2.9
131.08563	20.5
133.06479	2.3
133.10118	82.7
134.10434	1.7
135.08044	16.0
135.11688	6.2
137.09605	23.8
143.08540	4.1
145.10147	10.4
147.11668	14.4
149.09639	5.6
149.13261	16.5
158.10912	9.7
161.09592	4.7
163.14810	5.3
173.13245	20.8
176.11971	1.8
191.14293	100.0
192.14684	3.0
202.09485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03924	0.6
55.01862	4.0
55.05494	1.4
57.07060	0.6
63.59784	0.5
66.80598	0.5
67.05490	1.1
69.03423	0.5
69.07065	16.9
69.65284	2.1
77.03934	0.5
79.05489	2.3
81.07040	1.8
83.04974	2.0
83.08601	1.0
84.28759	0.6
91.05460	4.1
93.07036	13.6
95.04960	1.4
95.08592	2.0
97.06524	1.9
98.23318	0.8
105.07009	3.2
107.08588	10.0
109.06505	0.7
109.10124	0.9
117.06999	1.5
119.06076	0.8
119.08581	3.1
121.06499	16.9
121.10137	7.5
123.08064	1.8
131.08562	3.8
133.10120	6.1
135.08046	6.0
135.11627	2.3
137.09610	1.4
143.08549	0.6
145.10132	3.0
147.11678	27.3
149.09590	3.0
149.13240	7.1
158.10905	1.8
161.09605	7.3
163.11203	0.7
163.14821	1.6
173.13269	9.7
176.11977	3.0
191.14296	100.0
192.14635	2.2
213.04103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.72964	1.5
53.03928	1.7
55.05499	6.5
57.03429	9.6
57.07063	3.5
60.95198	1.6
67.05481	3.4
69.03418	2.2
69.07069	9.1
70.51223	2.5
72.08989	1.5
79.05485	8.9
80.36147	1.7
81.07051	7.5
83.04966	5.9
83.08602	1.4
86.89417	1.4
91.05477	13.0
91.49332	1.3
93.07042	21.4
95.04940	1.6
95.08595	9.6
97.06524	3.3
97.24670	1.3
101.31953	1.5
103.05444	1.4
105.07014	18.9
107.08588	33.2
109.06496	5.6
109.10149	2.5
117.06982	2.3
119.08555	14.7
121.06506	3.1
121.10118	23.6
123.08041	3.9
123.11691	3.4
126.29185	1.5
129.06973	3.4
130.07741	1.8
131.08543	24.0
133.10107	20.6
135.08055	13.6
135.11702	9.3
137.09592	2.0
143.08531	7.4
144.09277	5.8
145.10097	15.2
147.08099	1.6
147.11658	5.7
149.07181	1.8
149.09616	11.4
149.13258	11.1
158.10890	12.4
161.09601	5.7
163.11156	1.8
163.14815	6.0
171.11668	1.8
173.13240	36.8
175.11230	2.2
176.11917	13.2
183.74370	1.3
191.10593	3.3
191.14287	100.0
192.14664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01863	3.0
55.05499	11.0
56.76449	1.9
57.03425	4.8
57.07073	5.0
67.05499	3.8
69.03407	3.4
69.07060	11.5
70.98913	2.4
71.04983	2.2
79.05486	13.8
81.07053	8.1
83.04979	9.2
83.08625	4.3
91.05463	20.4
93.07044	35.2
95.04941	3.1
95.08597	9.1
97.06521	2.5
103.36136	1.7
105.07023	25.1
107.04987	2.4
107.07858	2.9
107.08582	57.4
109.06509	5.7
109.10151	3.4
117.07018	6.4
118.07911	2.0
119.08564	23.3
119.14898	1.7
121.06502	7.4
121.10138	35.2
123.08032	6.4
123.11726	3.0
129.06990	3.5
131.08566	27.0
133.10121	34.1
135.08040	15.6
135.11661	10.8
137.09602	2.3
143.08496	8.6
144.09331	3.9
145.10135	15.8
147.11664	8.7
149.09627	23.0
149.13245	12.5
158.10933	13.0
161.09625	5.9
163.14789	12.1
173.13239	33.5
176.11960	7.7
191.14293	100.0
192.14575	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	0.7
53.74385	0.6
55.05512	4.6
57.03435	10.5
57.66553	0.7
67.05493	2.1
69.03408	0.8
69.07061	3.6
69.96281	0.9
69.96614	1.4
71.04963	1.1
79.05476	2.0
81.07042	2.1
83.04973	8.0
83.08577	0.9
85.06538	0.9
91.05476	4.7
93.07030	7.2
93.66858	0.8
95.08604	2.5
97.06516	1.2
105.07011	5.4
107.08576	15.2
109.06506	1.9
109.10131	1.1
117.07004	1.6
119.08568	8.7
121.06525	0.8
121.10128	7.7
123.08044	1.6
126.67702	0.8
129.06969	1.9
130.07722	0.8
131.08557	10.2
133.10124	7.0
135.08026	6.5
135.11684	6.0
143.08549	5.4
144.09319	2.5
145.10114	12.0
147.08058	1.1
147.11662	1.6
149.09608	6.3
149.13248	3.1
158.10895	10.3
161.09624	8.8
163.14828	3.9
171.11708	0.8
173.13242	32.7
174.13634	1.0
175.11128	4.1
176.11948	16.6
189.12766	1.4
191.14287	100.0
192.14635	1.8
201.62097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01864	1.3
55.05510	6.3
57.03437	1.1
57.07065	1.6
62.08999	1.0
63.28353	0.9
65.03928	1.3
67.05494	6.5
69.03072	2.0
69.03426	30.8
69.07058	21.4
71.04976	2.2
77.03930	1.3
79.05486	10.6
81.07052	8.3
83.04982	6.2
83.08598	3.4
85.06521	3.6
91.05474	19.3
91.34493	0.8
93.07049	11.5
95.04945	4.1
95.08604	15.6
97.06512	5.8
103.05469	3.1
105.04533	1.0
105.07015	23.4
106.43715	1.0
107.04940	2.5
107.08586	31.8
109.06522	8.3
109.10140	3.5
111.08096	3.1
115.05426	2.2
116.06213	3.0
117.07017	9.7
119.07748	1.7
119.08567	19.2
120.08071	1.0
121.06480	7.1
121.10136	22.1
123.08060	5.3
128.04976	1.7
128.06143	1.5
129.06987	7.2
130.06511	0.9
130.07761	2.7
131.08554	31.7
132.95738	1.0
133.10110	15.5
135.08041	25.6
135.11674	8.4
136.08672	0.9
137.09575	2.1
143.08548	14.3
144.09320	4.5
145.07620	1.2
145.10126	17.2
146.05975	3.9
147.08011	1.2
147.11693	9.8
148.11163	9.1
148.12242	1.3
149.01212	2.0
149.09616	10.0
149.13211	8.4
150.96854	1.2
155.04942	1.3
157.10092	1.8
158.10905	13.5
160.05080	1.1
161.09592	2.6
163.11148	3.5
163.14848	6.5
173.05931	2.6
173.13251	39.7
176.11978	2.0
191.03487	1.0
191.06830	1.5
191.10556	3.3
191.11993	4.6
191.14288	100.0
191.18030	2.2
192.10219	1.4
192.13774	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.82880	1.2
54.20523	1.3
55.05499	5.5
67.05490	3.3
69.03422	15.3
69.07052	4.7
69.28077	1.3
70.58573	2.6
71.04955	2.3
79.05499	6.9
81.07040	2.9
83.04971	9.2
86.05109	1.5
91.05482	11.8
93.07050	6.6
95.04979	2.0
95.08608	4.2
97.06519	3.4
105.07022	20.6
107.08582	50.8
109.06480	1.7
109.10165	1.5
111.08066	2.9
115.05404	1.5
117.07036	1.7
119.06039	1.6
119.08568	8.2
121.06499	3.0
121.10134	18.3
123.08054	4.5
131.08549	24.0
131.09464	2.0
133.10121	72.9
135.08032	11.6
135.11705	2.3
143.08560	5.0
144.09233	1.9
145.10088	8.2
147.11685	5.9
149.09627	4.9
149.13235	12.4
158.10910	7.1
161.09621	4.7
163.14777	1.9
173.13260	33.2
176.11949	3.2
191.14293	100.0
192.14598	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
57.07067	2.4
65.03954	1.2
67.05499	2.7
69.03426	15.2
69.07066	5.7
69.29668	1.6
69.30077	3.1
71.04972	1.4
79.05486	9.1
80.05013	0.7
81.04541	5.9
81.07065	3.8
83.04980	12.8
83.08615	1.7
85.06526	1.5
91.05473	13.1
93.07053	9.3
95.04959	3.3
95.06083	1.1
95.08603	5.4
97.06512	3.5
100.01030	0.7
105.07020	20.7
107.04973	1.3
107.06114	4.6
107.08587	59.6
108.08924	0.9
109.06501	2.5
109.10148	2.5
113.03487	1.0
117.07011	2.8
118.07838	0.9
119.06050	2.2
119.08572	8.8
121.06498	5.1
121.10129	20.1
122.07278	1.4
123.08045	2.1
129.06998	1.9
130.07829	1.1
131.08557	19.2
133.10123	48.3
135.08052	10.8
135.11676	2.7
143.08540	4.5
144.09320	1.6
145.06429	0.8
145.10120	10.2
147.08028	1.3
147.11696	6.9
149.07088	0.9
149.09610	3.5
149.13260	11.4
158.10928	6.3
160.05070	3.5
161.09587	4.4
163.11171	1.5
163.12315	8.3
163.14735	0.9
171.11720	1.1
173.10779	2.9
173.13245	23.5
176.11961	2.2
179.99529	0.7
191.11882	9.3
191.14299	100.0
192.14659	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	0.5
53.07880	0.3
55.01870	5.2
55.05493	0.9
57.07078	0.8
64.47543	0.3
67.05490	0.8
69.03426	0.6
69.07067	15.9
69.84518	1.0
77.03916	0.9
79.05482	2.6
81.07047	2.1
83.04971	1.9
83.08626	0.6
85.06570	0.3
91.05474	5.0
93.07040	14.8
95.04962	0.9
95.08596	2.3
97.06547	1.8
103.10194	0.3
105.07013	3.3
107.08589	10.0
109.06531	0.7
109.10134	1.4
115.05413	0.6
117.07007	1.5
119.08591	2.9
120.38187	0.3
121.06500	18.8
121.10134	7.2
123.08070	1.9
131.08568	2.9
132.42876	0.3
133.10115	6.2
135.08055	7.5
135.11679	2.8
137.09593	1.5
143.08557	0.9
144.09296	0.4
145.10081	2.1
147.11679	25.3
148.12068	0.6
149.09633	3.4
149.12114	0.6
149.13254	8.9
158.10893	2.2
161.09619	7.2
162.10075	0.4
163.11124	0.6
163.14799	1.3
173.13252	9.2
176.11935	2.7
191.14296	100.0
192.14641	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	2.1
55.05509	8.3
57.03434	2.4
57.07066	2.6
59.05003	1.5
65.03944	1.3
67.05504	9.7
68.18547	1.1
69.03423	11.2
69.07066	10.2
69.23647	3.3
69.24066	3.1
71.04996	2.8
79.05486	17.1
81.07056	8.8
83.04972	11.5
83.08613	2.5
85.06550	2.1
89.67250	1.1
91.05480	34.0
93.07037	19.3
95.04947	6.1
95.08598	9.5
97.06534	9.0
101.49310	1.0
103.05450	1.2
105.07024	48.5
107.04922	4.0
107.08589	56.5
107.87396	1.3
109.06516	8.1
109.10174	7.3
111.08084	1.5
115.05412	3.9
116.06256	3.4
117.07018	13.1
119.08574	25.3
120.08103	1.5
121.06495	9.7
121.10139	30.0
122.07327	1.3
123.08047	7.3
128.06218	1.3
129.06995	10.4
130.07799	5.8
131.08560	78.5
132.08908	1.9
133.06401	2.6
133.10123	94.4
134.10379	1.4
135.08060	15.7
135.11661	5.4
143.08562	11.9
144.09322	4.1
145.06425	1.1
145.10118	38.5
147.08031	3.4
147.11679	18.3
148.08800	1.5
149.09613	12.9
149.13249	21.0
155.08559	1.2
158.10912	19.9
160.05045	33.9
161.09612	4.0
163.07510	5.3
163.11121	3.9
163.14810	4.4
171.11684	1.4
173.09676	6.8
173.13254	59.0
176.12027	2.6
190.15227	1.1
191.06882	1.6
191.10561	18.6
191.14294	100.0
192.07698	5.1
192.13629	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01854	3.4
55.05513	9.1
56.96564	1.9
57.03423	6.4
57.07060	6.2
58.04357	1.6
65.03899	2.2
67.05505	11.6
67.93749	1.6
68.84937	1.8
69.03417	4.4
69.07062	18.9
70.77383	2.5
71.04974	6.0
79.05487	16.6
81.07049	19.3
83.04967	5.8
83.08589	6.7
85.06538	3.3
91.04935	3.3
91.05471	37.4
93.07040	34.3
95.04962	10.1
95.08588	19.0
97.06518	7.4
98.04980	1.6
105.07021	76.4
107.04949	1.9
107.08588	46.9
108.08916	2.2
109.06510	11.9
109.10128	15.7
111.08064	2.3
115.05434	3.1
117.06995	13.2
119.08565	48.8
119.98164	1.7
121.06482	6.0
121.10136	33.0
123.08074	7.7
129.06963	9.3
130.07803	3.7
131.08553	69.2
133.06451	3.8
133.10118	95.7
135.08044	21.9
135.11655	9.6
143.08534	15.0
144.09314	6.4
145.06494	3.9
145.10103	42.0
147.11678	29.2
148.08766	3.5
149.09608	11.0
149.13246	26.1
158.07307	2.0
158.10909	25.8
160.05078	2.0
161.09607	2.7
163.11133	6.0
163.14798	9.6
171.11665	2.6
171.99774	1.8
173.07126	5.5
173.13249	89.1
176.11951	2.4
191.06999	6.3
191.08444	2.8
191.11784	5.7
191.14293	100.0
192.14569	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24092	0.8
55.01864	5.8
55.05510	6.0
56.96554	1.1
57.03420	2.4
57.07062	1.9
65.03951	0.9
67.05506	7.0
69.03426	4.5
69.06712	1.1
69.07066	15.6
71.04980	1.4
79.05486	10.1
81.03393	1.1
81.07053	13.7
82.74452	0.8
83.04980	5.6
83.08601	3.5
85.06559	1.3
91.05474	15.6
93.07039	19.7
95.04980	6.7
95.08599	9.9
97.06542	5.3
103.05437	1.3
105.04517	1.4
105.07023	23.5
107.04943	3.9
107.08588	30.0
109.06508	7.1
109.10152	8.3
111.08074	1.9
115.05454	2.1
117.07005	10.6
117.31049	0.9
119.06055	1.1
119.08561	14.8
120.08088	1.4
121.06500	16.2
121.10133	18.7
122.07255	2.6
123.08071	5.5
123.11657	2.5
129.07027	2.0
130.07796	2.4
131.04980	1.3
131.08554	18.4
133.06419	0.9
133.10120	35.7
135.08040	21.5
135.11682	9.9
136.08850	0.9
137.09604	3.2
143.08510	4.7
144.09346	1.4
145.06474	5.7
145.10117	14.1
147.08020	2.1
147.11668	26.3
148.08777	1.2
149.09605	8.8
149.13237	15.2
150.10384	15.3
158.10866	7.9
161.09605	6.2
163.07561	1.2
163.11208	3.2
163.14825	4.3
169.03534	1.1
173.05954	2.4
173.09612	2.0
173.13239	23.9
176.11928	2.1
191.06740	4.8
191.10590	3.9
191.11833	2.8
191.14291	100.0
191.17949	3.3
192.14639	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.17508	0.8
53.03940	1.7
55.01870	4.8
55.05503	5.0
57.03423	2.7
57.07059	2.6
67.05503	6.1
69.03422	6.0
69.07063	13.7
71.04986	2.4
74.12811	1.0
79.05490	14.6
80.04977	1.3
81.03360	0.9
81.07053	12.7
83.04961	3.8
83.08602	3.4
85.06512	1.3
91.05474	12.7
93.07040	20.4
95.04953	6.4
95.08600	9.9
97.06514	5.3
103.05468	1.1
105.07018	24.5
107.04953	6.2
107.08587	26.2
109.06488	6.8
109.10153	7.9
111.08075	1.3
115.05407	1.9
117.07000	9.0
119.08572	15.6
120.08080	1.6
121.06493	15.1
121.10132	19.7
122.07300	1.9
123.08043	4.8
123.11717	2.2
129.06975	2.6
130.07748	1.0
131.08557	19.4
131.75610	1.0
133.10115	42.7
135.08047	21.8
135.11658	9.3
137.09639	3.0
143.08508	4.8
144.09300	2.1
145.06480	4.6
145.10112	14.4
147.08015	1.1
147.11676	20.7
147.29897	1.0
148.08720	1.2
149.07071	1.0
149.09628	8.7
149.13242	13.1
150.10394	16.6
158.10861	6.0
160.04990	1.0
161.09599	6.6
162.05568	0.9
162.10416	1.3
163.07495	1.5
163.11162	2.9
163.14798	3.1
173.05916	2.6
173.09549	1.6
173.13249	25.9
176.11928	3.1
185.23805	1.1
191.03223	1.1
191.06815	5.3
191.10393	4.5
191.11847	2.7
191.14290	100.0
192.14664	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	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
53.02347	0.1
61.94232	0.1
65.03923	0.2
70.94534	0.3
82.77133	0.1
85.59467	0.1
92.04981	0.2
105.04482	0.2
110.95961	0.1
127.91878	0.1
132.05566	2.8
133.06346	0.5
133.08842	0.2
135.05525	0.4
148.11195	2.1
160.05052	100.0
161.05434	1.7
170.73213	0.1
192.07671	18.1
192.13800	6.6
192.23639	0.1
193.07971	0.3
193.14099	0.2
195.55487	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	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
70.61862	0.3
79.85484	0.2
100.18411	0.2
106.06544	0.3
110.23215	0.2
132.08069	1.7
133.08868	2.8
146.09645	0.3
148.11195	28.9
149.11502	0.6
149.16234	0.2
161.11945	0.4
174.12762	0.7
176.10698	0.7
177.11467	0.4
182.72099	0.2
192.13812	100.0
193.14191	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	192.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.9
69.39815	0.8
69.40208	0.5
72.08144	1.5
86.09700	11.3
88.43980	0.3
91.05476	100.0
92.05821	1.1
100.11250	32.1
101.12036	0.9
132.95839	0.3
148.11194	1.0
150.96916	0.8
192.13818	3.6
192.17473	38.7
193.17778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.05507	2.7
57.03436	1.2
67.05499	2.1
69.03429	0.3
69.07061	2.5
71.04988	0.5
74.97847	0.3
79.05489	3.3
81.03421	0.4
81.07045	4.5
82.34431	0.3
83.04998	0.5
83.08625	0.5
85.06543	0.5
87.04460	0.4
91.05471	6.3
93.07037	6.2
95.04965	1.0
95.08604	2.5
97.06525	0.5
98.23496	0.8
99.08095	0.7
103.05509	0.3
105.07022	26.1
106.07348	0.4
107.08585	6.9
109.06519	1.3
109.10175	1.1
111.08093	0.4
117.07023	0.8
119.08575	26.0
120.08922	0.6
121.10139	6.2
123.08057	2.8
123.11706	0.4
127.07547	0.4
131.08572	1.0
133.06494	0.8
133.10133	4.3
135.08089	0.4
135.11717	1.8
137.09602	1.4
142.07921	0.3
145.10103	1.8
147.11674	100.0
148.12022	2.2
149.13264	4.3
151.11168	0.5
157.10107	0.6
164.50113	0.3
165.12750	6.7
175.11182	1.6
175.13394	0.4
175.14825	4.4
183.65865	0.3
193.12224	12.1
193.15878	5.6
194.15427	0.9
195.42276	0.3
199.59225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02389	2.1
51.32479	1.7
53.03934	4.0
55.01872	3.6
55.05508	14.8
57.03436	85.5
60.81799	1.7
63.84746	2.2
65.03945	2.1
67.05163	2.6
67.05502	30.0
69.03420	4.8
69.07054	4.2
71.05000	3.2
74.11855	1.9
79.05488	24.2
81.02962	4.0
81.03413	51.3
81.07053	20.2
83.04996	3.6
83.08598	7.5
85.06535	7.5
91.05476	57.6
93.07042	58.1
94.88898	2.1
95.04964	34.7
95.08601	12.8
97.06516	6.4
103.05430	4.4
105.04508	3.4
105.07023	70.0
107.04951	5.5
107.08573	13.1
109.06535	9.8
109.10158	17.3
115.05470	3.0
117.07023	10.9
119.04908	3.2
119.08572	100.0
119.09427	4.9
120.05297	3.1
120.08945	2.2
121.06499	50.4
121.10120	22.4
123.08041	7.1
129.07005	6.2
131.04964	2.5
131.08522	6.9
133.06479	15.1
133.07365	2.4
133.10118	60.6
134.69426	2.1
135.08025	8.6
135.08977	1.9
135.11713	3.9
137.09605	45.2
141.06850	2.2
142.07768	9.0
145.06497	2.5
145.10078	4.1
146.07275	5.7
147.08073	16.2
147.11678	48.6
149.02344	2.7
149.09648	3.6
149.13303	2.7
151.07576	2.9
151.11195	3.4
157.10132	12.1
160.08829	8.7
161.05907	3.5
175.11179	52.3
175.14818	7.9
176.11526	2.6
193.04794	3.1
193.10074	2.9
193.10367	3.5
193.12234	28.5
193.14046	4.4
193.15839	10.4
194.15404	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.42069	0.3
53.21654	0.3
55.05499	2.7
59.04992	0.4
66.55840	0.4
67.05502	1.4
69.07072	1.5
69.56248	1.4
71.04987	0.5
73.27629	0.3
77.03923	0.5
79.05478	2.7
81.07057	4.2
87.04453	0.4
91.05469	5.1
93.07045	5.4
95.04967	0.7
95.08604	1.5
97.06554	0.4
98.23389	0.7
105.07025	26.1
107.08588	7.2
109.06496	0.7
117.06990	0.6
119.08572	26.2
120.08920	0.5
121.10126	2.9
123.08058	1.2
123.11691	0.6
127.07512	0.7
131.08557	0.7
132.09332	0.4
133.06479	0.6
133.10123	1.4
137.05992	0.6
137.09563	0.5
145.10135	1.3
147.11676	100.0
148.11989	2.6
149.13246	3.4
160.72714	0.3
162.61610	0.3
165.12744	7.0
175.11198	1.8
175.14789	1.0
182.66905	0.3
193.12230	12.0
193.15874	3.3
194.15361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.8
57.03432	17.0
57.07079	2.9
67.05485	6.8
69.07075	19.9
69.43718	10.7
71.04984	2.4
79.05471	5.3
81.07067	10.7
82.36198	1.8
83.04972	11.0
83.08619	5.7
85.06532	8.2
86.26952	2.1
87.30485	2.0
91.05453	12.9
93.07045	16.0
95.04996	2.2
95.08610	19.2
95.91208	2.1
96.11946	2.0
97.06580	2.0
97.10151	2.2
98.06093	1.8
99.08071	7.1
105.07030	21.1
105.49808	2.1
107.08595	20.7
109.06514	9.8
109.10141	11.2
119.08588	33.0
121.10136	48.6
123.08079	29.7
123.11701	4.6
131.08582	3.5
133.06532	2.8
133.10112	41.5
135.11696	20.4
137.09616	13.6
137.13271	2.6
145.17865	2.4
147.08018	5.9
147.11668	8.1
151.11122	3.3
175.11172	3.2
175.14813	42.4
193.05046	2.8
193.10312	2.7
193.12225	15.1
193.15875	100.0
194.15434	9.8
210.36586	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05508	4.6
55.76626	0.6
57.07076	4.7
59.04995	0.9
62.25322	0.7
66.13985	0.6
67.05502	8.6
69.06711	0.8
69.07065	10.7
69.27551	4.1
70.82494	0.7
79.05490	3.0
81.03428	1.3
81.07047	8.3
83.04968	1.3
83.08611	3.0
83.91880	0.6
85.06515	1.9
91.05470	7.9
93.07044	7.0
95.04944	1.4
95.08030	1.2
95.08604	21.5
105.07027	20.1
107.08589	9.3
109.06495	2.3
109.10149	23.0
111.08099	0.6
115.05431	1.1
116.24437	0.7
117.06993	2.4
119.08575	59.1
120.08865	0.9
121.10143	4.3
123.08041	3.3
123.11753	1.6
131.08524	2.7
132.05690	0.7
133.06543	1.7
133.10121	76.8
134.10831	0.7
135.11687	15.5
137.09628	6.3
145.10112	5.6
147.11673	17.9
149.13242	6.7
151.11221	0.8
151.14825	4.2
159.11661	1.5
160.11249	0.7
160.12434	3.5
161.05957	1.5
173.13226	1.9
175.14810	100.0
176.15179	2.5
193.08615	3.2
193.12276	0.8
193.15883	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05510	7.8
57.07067	4.3
59.04976	1.0
61.77996	0.8
65.13513	0.9
67.05162	1.2
67.05500	14.7
69.07059	10.5
70.51450	1.5
75.52841	0.9
79.05486	5.8
81.03414	15.5
81.07051	8.8
83.05000	1.8
83.08605	6.2
85.06534	2.0
91.05480	12.6
93.07033	8.1
95.04956	7.5
95.08599	25.5
103.05470	1.1
105.07018	18.3
107.04990	1.0
107.08585	10.0
109.06507	3.2
109.10148	24.9
115.05511	1.6
117.07001	3.1
119.08574	64.5
120.08860	1.0
121.10159	5.5
123.08069	3.4
123.11652	1.7
129.06998	2.0
131.08545	2.7
133.06442	1.6
133.10121	79.6
134.10660	1.2
135.11688	17.9
137.09619	7.5
141.56728	0.9
145.10086	6.7
147.08012	1.2
147.10579	1.8
147.11681	22.0
148.80479	0.9
149.13257	8.7
151.14784	4.9
159.11725	1.2
160.12498	4.6
165.12627	1.0
173.10455	0.9
173.13217	1.2
175.14813	100.0
176.15170	2.1
193.08598	1.4
193.12218	2.8
193.15895	19.2
194.15378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	1.6
55.05503	14.0
56.13140	1.1
57.03432	29.1
57.07078	1.7
64.86105	1.2
67.05499	9.3
69.03434	2.9
69.07062	19.8
71.04489	1.6
71.04984	1.9
77.25919	1.2
79.05502	5.7
81.03376	2.8
81.07062	12.6
83.04983	8.6
83.08603	4.2
85.06544	6.5
87.69484	1.1
91.05456	7.1
93.06518	1.8
93.07040	17.4
94.99302	1.3
95.04936	1.5
95.08596	18.2
97.06516	3.4
97.10146	2.2
99.08097	15.4
103.05377	1.5
105.07023	27.3
107.08579	18.6
109.06512	13.3
109.10130	10.8
109.86067	1.3
111.08059	2.0
119.08572	38.2
121.10133	78.8
123.08061	38.8
123.11693	4.8
123.63762	1.1
125.09554	1.6
131.08548	4.7
133.07579	1.7
133.10118	42.5
135.11684	24.9
137.09599	16.2
137.13242	2.2
145.10086	2.5
145.87439	1.4
146.40399	1.3
147.07990	3.3
147.11691	9.9
149.09631	1.4
149.13240	1.7
151.11131	4.7
165.12778	1.5
175.11238	3.4
175.14807	53.2
193.08542	3.1
193.10229	3.0
193.12189	15.5
193.15866	100.0
194.16190	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71548	1.3
53.03937	1.7
55.05511	15.0
57.03436	34.0
59.69759	1.2
67.05505	7.1
69.03415	2.1
69.07074	20.0
69.33995	5.9
69.34350	1.9
71.04989	1.7
75.39684	1.4
75.60300	1.1
79.05499	7.0
81.03411	4.6
81.07059	12.6
83.04984	8.3
83.08622	5.7
85.06532	8.2
91.05470	9.4
93.07048	16.4
95.04976	3.0
95.08614	20.7
97.06528	2.3
97.10154	2.3
99.08083	16.9
101.98466	1.2
103.05459	1.3
105.07027	25.2
107.08603	18.3
109.06511	16.3
109.10165	12.7
111.08074	3.4
117.07000	1.7
119.08579	35.6
121.06503	2.4
121.10142	81.0
123.08067	36.7
123.11687	4.9
125.09571	1.5
129.45122	1.4
131.08549	4.4
133.06511	2.3
133.07567	1.6
133.10124	51.4
135.11691	23.4
137.09598	16.9
137.13277	2.9
146.10887	2.8
147.08055	4.6
147.11688	11.2
149.02348	3.9
149.09599	3.4
149.13234	1.7
151.11235	6.3
157.10069	1.4
165.12695	1.7
175.11320	2.5
175.14824	55.1
193.05022	2.6
193.08571	2.6
193.10103	4.5
193.12234	15.7
193.15883	100.0
194.16170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	0.9
55.05257	0.7
55.05506	9.0
57.03435	3.6
57.07058	1.3
58.47867	0.4
59.04987	0.5
67.05493	4.9
69.03410	1.6
69.07062	9.2
69.32017	2.5
70.07442	0.4
71.04973	2.1
79.05492	3.4
81.03387	0.7
81.07049	7.7
83.04974	11.4
83.08627	3.0
85.06537	4.0
85.77812	0.5
91.05473	4.2
93.07038	8.4
95.04939	1.6
95.08600	18.6
97.06519	2.7
97.10194	2.3
99.08086	4.1
105.07020	8.8
107.08578	13.4
109.06512	5.6
109.10145	10.0
111.08064	3.7
117.07011	0.8
119.08569	22.8
121.10138	16.8
122.07244	0.5
123.08060	12.7
123.11707	3.2
124.14220	0.4
125.09573	1.0
129.06934	0.5
131.08583	1.3
133.06464	0.9
133.10117	27.4
135.11687	23.5
136.12004	0.6
137.09616	9.2
137.13260	1.6
145.10139	0.9
147.08090	2.8
147.11679	4.1
149.09520	0.6
149.13245	2.0
151.11148	2.0
151.14795	0.8
152.11107	0.5
160.12483	0.7
165.12807	0.7
165.16388	0.7
175.07521	0.6
175.14806	29.8
176.15141	1.2
178.07785	1.4
192.40367	0.4
193.08562	1.4
193.10114	1.5
193.15866	100.0
194.16127	2.5
199.79240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.72706	1.1
55.05505	10.3
57.03426	4.0
57.07057	1.2
67.05499	6.7
68.62702	1.2
69.03425	5.1
69.06741	1.5
69.07066	11.5
71.04993	1.7
71.44768	1.3
79.05485	3.8
81.03412	1.7
81.07056	10.3
83.04977	11.4
83.08597	2.5
85.06546	5.5
91.05460	6.3
93.07037	10.1
95.04962	2.4
95.08594	19.8
96.36155	1.0
97.06499	3.1
97.10142	1.7
99.08085	6.1
105.07027	14.4
107.08573	13.0
109.06544	7.5
109.10146	10.8
111.08058	4.1
114.43384	1.3
119.08574	23.8
121.10141	25.4
123.08061	18.4
123.11694	4.3
131.08594	1.5
133.06490	1.9
133.10126	36.8
134.06046	1.4
135.10643	1.6
135.11678	25.5
135.20718	1.0
137.09615	11.9
147.08031	3.1
147.11681	3.9
149.13254	2.2
150.00188	1.1
151.11145	3.8
157.86168	1.3
159.11609	1.5
175.14807	39.2
189.75185	1.1
191.81839	1.1
193.04922	2.2
193.08453	1.6
193.10017	3.2
193.15865	100.0
194.15205	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.33525	1.1
53.07284	1.0
55.05503	8.2
57.03428	3.4
57.07072	2.0
66.07722	1.1
67.05511	6.9
69.03424	2.8
69.07063	9.4
69.89111	4.0
71.04999	1.7
79.05482	3.1
81.03424	1.3
81.07050	8.5
83.04976	11.3
83.08599	3.0
85.06539	3.0
91.05492	3.9
93.07054	7.4
95.04950	1.9
95.08606	15.5
97.10150	1.6
98.23514	1.1
99.08083	4.1
105.07037	9.4
107.08589	10.3
109.06521	5.8
109.10153	9.2
111.08062	3.4
119.08579	19.7
121.10139	18.6
123.08070	12.4
123.11704	2.2
125.09637	2.5
133.10121	27.4
133.96359	1.2
135.11681	20.2
137.09610	11.4
137.13261	1.8
142.25485	1.2
145.10110	1.1
147.08063	3.1
147.11685	3.5
149.13286	2.0
151.11165	2.5
175.14835	28.9
193.08514	2.5
193.10077	2.4
193.15878	100.0
194.15236	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	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.05497	4.7
57.07069	5.4
60.82734	1.0
67.05499	10.9
69.07061	11.4
70.79147	2.0
74.80839	0.9
78.73859	1.0
79.05479	3.5
81.03415	2.0
81.07050	7.4
83.08616	3.4
85.06522	1.5
88.54899	1.1
91.05463	9.2
93.07027	9.7
95.04957	1.6
95.08593	22.7
103.05472	1.2
105.07021	20.3
106.21641	1.0
107.08590	9.0
109.06504	2.6
109.10146	24.3
115.05431	1.3
117.07001	2.0
119.08566	66.6
121.10165	5.5
123.08040	3.1
123.11719	1.9
131.08578	1.4
133.06470	2.1
133.10115	76.5
134.10469	1.6
135.11684	18.2
137.09625	6.9
145.10066	5.8
147.11671	18.2
149.13217	6.3
151.14821	4.4
159.11769	1.5
160.12498	3.0
161.05998	1.2
173.13248	2.9
175.14806	100.0
176.15073	2.6
193.08556	2.8
193.15860	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.61275	3.4
55.05510	21.8
57.03434	27.0
57.07076	5.5
67.05502	23.5
68.57451	3.2
69.07059	22.3
79.05485	14.9
81.03425	11.9
81.07052	39.0
83.08598	8.0
85.06526	5.9
91.05466	19.3
93.07030	28.5
95.04974	15.2
95.08601	53.2
97.06556	4.5
105.07035	43.7
107.04899	2.8
107.08588	40.0
108.10706	3.0
109.06522	28.1
109.10146	39.8
111.08111	3.2
119.08577	61.8
121.10148	100.0
123.08073	33.9
123.11713	13.8
131.08559	8.6
133.06528	7.1
133.07565	4.5
133.10118	66.2
135.11667	28.1
137.09599	21.7
137.13206	7.0
145.10132	6.5
146.96530	3.1
147.11659	17.1
149.02296	3.4
149.13268	13.8
165.16420	7.2
175.11290	4.5
175.14821	87.4
193.04964	6.3
193.10081	10.9
193.12233	11.5
193.15894	80.2
194.15399	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
57.49776	0.4
60.13498	0.4
63.02381	0.8
64.17562	0.3
65.03932	0.5
67.97646	0.4
71.41821	0.4
75.42674	0.4
77.03903	0.5
78.04718	1.0
79.05476	1.1
89.03915	26.8
91.05474	2.4
93.03432	0.6
93.07029	0.5
95.04979	1.0
96.04494	0.4
103.05471	1.3
105.03400	0.7
106.04188	2.5
107.04926	0.6
111.04456	0.7
117.03374	49.8
118.03716	0.6
119.04968	0.7
119.88493	0.4
121.06497	1.4
123.04385	0.4
124.05172	0.6
125.05981	0.7
126.45375	0.4
134.03627	7.7
135.04413	7.8
135.11674	0.4
145.02840	95.1
146.03180	2.0
149.05971	23.6
150.06374	0.6
152.20862	0.4
153.05420	0.7
162.03136	2.9
163.03894	11.0
177.05460	100.0
178.05827	2.8
186.05426	1.0
194.15408	0.6
195.06477	0.6
196.65303	0.4
212.51360	0.4
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
63.02380	1.0
69.23897	3.7
78.04724	1.3
79.05504	1.1
89.03915	30.3
90.99734	0.5
91.05482	2.7
93.07016	0.6
95.04970	1.6
103.05480	1.4
106.04179	2.7
117.03379	56.4
118.03689	0.9
121.06483	1.6
125.05981	0.7
134.03629	10.2
135.04424	5.8
139.07460	0.9
141.34038	0.7
145.02843	99.9
146.03177	1.6
147.04411	0.7
149.05977	25.9
153.05417	0.8
162.03122	2.3
163.03903	8.8
177.05466	100.0
178.05862	1.6
186.09729	0.6
195.06490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0644
Annotation	(-)-Gynuraone
Peak:m/z	Relative Intensity
52.33200	0.8
53.03945	7.6
53.93326	0.8
55.47134	0.8
64.96017	0.8
65.03945	4.7
66.04710	2.6
67.05495	1.9
68.99789	0.8
69.18890	3.9
69.19292	1.8
71.04971	1.0
75.04447	1.0
76.40728	0.8
77.03933	2.7
78.04691	1.6
79.05490	19.2
81.03412	22.5
81.07041	8.4
89.03898	1.8
91.05453	1.1
92.02628	1.9
93.03423	1.5
94.04154	2.2
94.46246	0.8
95.04966	14.3
96.05747	11.8
105.04530	4.0
106.04147	1.8
107.01304	2.6
107.04932	2.0
108.05733	3.6
109.02900	5.6
109.06513	11.9
111.08071	3.1
113.05976	2.4
117.03362	3.4
121.02858	4.4
122.03643	11.7
123.04237	0.9
124.05212	19.1
124.51694	0.8
128.04716	1.2
134.03645	2.1
137.02333	7.9
139.07533	21.2
141.01822	1.2
145.02834	6.6
149.05962	2.2
151.03885	8.8
152.04674	36.2
156.04135	3.0
162.61423	0.9
167.07021	7.5
177.05446	7.2
185.08102	6.9
195.06519	100.0
196.06854	1.5
196.17046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
55.01898	0.8
60.89621	0.7
63.02382	1.0
65.03938	0.7
67.05511	0.8
69.76814	1.9
69.77200	1.3
70.80659	0.7
74.38985	0.7
75.20631	0.6
77.03947	0.7
78.04729	1.8
79.05508	1.4
81.07056	1.3
89.03912	26.8
89.04465	1.4
91.00169	0.7
91.05489	2.9
93.07040	1.2
95.04916	0.9
97.06504	0.9
98.23415	0.9
103.05473	0.9
105.29584	0.7
106.04148	1.4
107.04928	1.2
117.03374	51.0
121.06477	0.8
134.03633	8.3
135.04401	6.5
135.11714	1.1
145.02835	97.6
146.03172	2.5
149.05962	22.2
162.03093	1.5
163.03896	8.8
177.05453	100.0
178.05807	2.0
195.06511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.24079	0.4
53.15841	0.3
63.02374	0.8
69.15204	2.8
75.05522	0.4
77.03934	0.4
78.04704	1.1
79.05480	1.1
86.62070	0.4
89.03905	26.3
91.05469	2.5
93.03382	0.5
93.07027	0.6
95.04947	0.9
100.15967	0.4
103.05448	1.4
105.04512	0.4
106.04149	2.0
107.04944	0.5
117.03362	50.8
118.03683	0.9
118.88398	0.4
119.04897	0.4
121.06474	1.1
134.03618	7.7
135.04387	4.6
145.02826	89.7
146.03162	1.4
149.05956	23.0
150.06261	0.4
152.97508	0.4
155.82303	0.4
162.03087	2.1
163.03883	8.7
177.05443	100.0
178.05794	2.8
185.35431	0.4
186.05426	0.5
195.06459	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
63.02365	1.0
65.03951	0.6
71.23048	0.6
73.31439	0.5
75.71388	0.6
77.03939	0.6
78.04729	1.6
79.05503	0.9
81.07067	0.6
89.03912	29.6
91.05475	3.2
93.03419	0.9
93.07059	0.7
95.04981	0.8
95.40739	0.6
103.05479	1.2
106.04185	2.2
107.04943	0.9
111.04497	0.8
117.03374	57.9
119.04974	0.7
121.06506	1.0
125.05960	0.9
129.04434	0.8
134.03621	9.4
135.04414	6.2
145.02843	92.8
146.03206	1.7
149.05974	24.4
153.05472	2.3
158.02025	0.6
162.03125	2.1
163.03885	8.4
177.05464	100.0
178.05806	2.1
186.05501	0.9
194.15244	0.7
195.06552	2.1
202.39027	0.7
203.36168	0.5
204.76485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
59.32098	0.5
61.08794	0.5
62.01571	0.6
63.02378	0.7
77.03921	0.6
78.04712	1.8
79.05463	0.7
85.02908	0.7
89.03908	26.7
89.06013	0.7
91.05471	3.0
91.16206	0.6
93.07008	0.9
95.04971	1.8
98.09710	1.1
100.02505	0.9
103.05457	1.1
105.04504	0.6
106.04172	1.9
106.07325	0.5
107.04927	1.4
117.03366	50.3
118.03684	1.6
119.01965	0.5
121.06493	1.5
125.06011	0.6
134.03612	8.7
135.04405	8.0
135.05347	0.6
145.02831	89.9
146.03146	2.3
149.05960	23.6
162.03136	2.1
163.03877	10.7
177.05449	100.0
178.05780	2.6
189.00009	0.7
194.15408	1.4
195.06473	1.4
195.15715	0.8
196.07335	14.4
209.03346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	3.1
55.01859	4.0
55.05508	22.4
57.03442	9.0
57.07072	2.8
65.03922	2.9
67.05501	70.4
67.93538	1.2
68.96326	1.6
69.03407	3.2
69.06762	1.6
69.07068	17.1
69.55215	6.1
71.05006	7.0
77.03880	1.2
79.05490	59.0
79.67928	1.2
81.03415	29.8
81.07053	100.0
83.04976	31.5
83.08617	12.5
85.06530	4.4
89.06028	3.6
91.04949	2.1
91.05477	34.7
93.07041	70.3
95.04952	13.2
95.08601	42.7
95.09212	1.8
97.06521	16.9
98.22746	2.8
99.08054	2.1
105.04485	2.4
105.07009	13.7
107.04977	4.0
107.08589	27.7
109.06497	4.1
109.10146	4.0
111.08051	8.1
112.47969	1.4
117.07016	15.4
119.08560	4.9
121.06506	11.5
121.10115	9.4
123.08037	3.8
123.11672	2.1
124.27670	1.4
131.08557	21.0
133.10118	20.5
135.08047	6.7
135.10771	2.2
135.11691	26.4
136.12112	1.4
148.97324	2.2
149.09627	2.1
149.13254	16.6
151.11183	1.9
153.09184	1.3
159.11667	18.6
165.06998	1.4
177.12796	13.2
180.09319	1.4
189.87354	1.3
195.11716	4.3
195.13791	23.8
195.15631	3.9
196.16898	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	196.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35916	0.3
70.48693	0.4
71.31549	0.6
91.18049	0.3
114.12800	1.7
128.55205	0.3
129.41464	0.3
196.07327	100.0
197.07753	1.8
219.04828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01870	0.8
55.05504	1.5
57.07067	0.8
59.05001	1.8
61.44305	0.3
65.03918	0.6
67.05492	2.4
69.07059	1.1
70.54230	0.5
70.54586	0.4
70.95857	1.5
71.04992	0.5
72.93775	0.9
79.05497	3.0
81.07051	2.4
83.04978	0.4
83.08624	0.9
91.05476	11.3
93.07040	8.3
95.04967	2.1
95.08601	1.8
103.05464	0.5
105.04585	0.3
105.07022	19.3
106.50887	0.3
107.08587	100.0
108.08909	2.1
109.06502	2.7
109.10145	4.7
111.08098	0.3
111.98459	1.1
117.07042	0.7
118.07805	0.6
119.04927	1.1
119.06049	1.6
119.08582	4.7
120.58616	0.3
121.06498	2.9
121.10138	1.1
123.04398	0.6
123.08025	0.9
123.11721	1.3
129.99518	0.7
131.08574	2.4
132.95856	2.0
133.10121	57.7
134.10469	1.1
135.11685	13.4
137.05957	1.6
137.09604	2.1
139.07535	0.7
143.08533	0.6
146.07314	1.6
150.96875	2.4
151.07555	0.8
151.11177	3.2
155.97443	1.1
161.09607	14.3
173.98454	1.5
179.10657	22.4
180.10976	0.6
193.21941	0.4
197.11714	42.8
198.12054	1.1
198.18523	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05504	1.1
56.49640	0.3
57.07076	0.7
69.07064	1.3
69.14705	0.3
69.68314	1.4
70.77087	0.4
70.95858	1.1
72.93799	0.5
79.05474	0.5
81.07049	0.5
83.08619	0.9
91.05442	0.5
93.07018	0.3
97.10204	0.5
105.07018	0.9
111.98477	0.7
119.08546	0.7
121.10159	1.8
128.06194	0.9
129.06964	1.0
132.95805	2.2
141.06972	4.9
142.07732	1.5
143.08504	1.0
150.96884	2.6
151.91203	0.5
152.06223	0.5
153.06979	3.6
154.07780	5.7
155.08539	9.2
155.97417	1.3
156.09332	6.3
157.10107	2.2
165.07028	2.4
166.07770	1.6
167.08551	38.6
168.09314	3.2
169.06380	0.7
169.10123	19.2
170.10562	0.5
173.98434	2.4
179.08514	1.4
179.10844	0.4
180.09297	1.7
181.06439	0.6
181.10103	5.0
182.07428	3.6
182.10898	53.7
182.40092	0.4
183.07921	0.5
183.11296	1.7
195.11656	3.9
196.12459	0.5
197.09595	12.2
197.13240	100.0
198.09966	0.6
198.13586	3.4
198.18526	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05499	1.1
63.93888	0.3
64.09530	0.3
66.81254	0.3
69.03442	0.3
69.07074	0.3
70.12410	0.9
70.95850	0.5
75.12395	0.3
79.05491	0.4
81.13246	0.3
83.08595	0.5
85.55427	0.3
91.05462	0.5
105.07011	0.6
111.98470	0.5
113.67326	0.3
119.08570	0.7
128.06207	0.6
129.06995	0.7
132.95831	0.7
136.80867	0.3
141.06966	2.6
142.07753	1.2
143.08496	1.0
150.96864	1.0
152.06194	1.0
153.06996	2.2
154.07773	2.8
155.08549	5.8
155.97424	0.5
156.09344	6.2
157.10141	2.6
165.06960	3.4
166.07796	1.7
167.08554	40.0
168.09268	2.2
169.10115	10.5
179.08556	0.5
180.09355	1.4
181.10104	5.2
182.10904	60.7
183.11230	1.5
195.11734	2.6
197.13243	100.0
198.13582	3.7
198.18526	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	198.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19611	1.3
70.06588	2.1
97.91000	1.4
98.04983	1.4
98.09698	13.2
115.37257	1.5
136.05235	100.0
136.53976	1.4
198.05267	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84856	0.4
53.03916	0.6
55.01855	1.0
55.05512	5.4
57.06815	0.5
57.07072	4.5
61.02926	0.7
67.05506	1.2
69.03416	1.4
69.07069	5.5
70.09642	1.3
71.04960	0.5
71.08630	1.1
72.04507	0.4
72.08144	1.1
73.02927	0.5
74.09695	0.7
79.05486	1.4
81.03412	0.6
81.07059	2.0
82.06599	0.6
83.08621	5.0
83.97607	0.4
85.02413	0.5
85.02905	8.0
85.10168	0.5
86.06056	0.8
86.09707	0.5
93.07040	1.2
95.04968	2.6
95.08581	1.0
97.02888	1.8
97.06522	1.1
97.10156	2.7
100.07600	1.1
100.59808	0.4
105.04522	0.7
107.08568	1.0
109.02855	0.5
111.08066	0.7
114.09183	0.6
116.97213	0.5
121.10136	0.7
123.04434	1.0
125.02334	1.4
127.03904	1.1
131.21429	0.4
139.61029	0.4
140.04680	8.4
145.04951	1.6
155.07011	1.2
156.17435	0.6
159.58907	0.4
181.05043	0.5
198.18524	100.0
199.18840	2.1
218.82153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03947	1.5
55.01878	1.3
55.05508	2.3
55.77937	0.2
57.07071	1.1
63.00064	0.2
64.30219	0.2
65.03940	3.0
65.64947	0.2
67.05499	3.4
67.86434	0.2
68.99770	0.2
69.03419	0.3
69.07072	1.9
69.20826	0.5
69.21228	0.6
71.08625	0.3
72.04512	0.4
72.08150	0.3
74.09713	1.3
77.03928	2.4
79.05486	0.7
81.03409	0.4
81.07053	0.5
83.04966	0.3
83.08626	1.3
84.08967	0.2
92.02614	0.3
93.03388	1.0
93.07040	0.4
94.04143	0.2
95.04964	30.2
95.08619	0.4
96.05316	0.5
96.18594	0.2
97.02882	1.9
97.06568	0.3
97.10159	0.6
98.97574	0.3
100.07620	0.8
105.04508	4.6
107.01313	0.3
107.08596	0.4
108.02097	0.5
110.03667	1.7
111.04447	1.9
111.08040	0.2
116.97219	0.7
116.98615	0.3
120.02095	0.8
121.02862	2.0
121.03894	0.3
121.10164	0.2
121.41393	0.2
123.04427	12.2
125.02348	13.0
129.06990	0.2
137.02289	0.5
138.03094	0.3
139.03880	0.7
140.04674	100.0
141.05054	1.7
143.08578	0.3
149.02367	0.5
153.05542	0.4
155.07022	12.0
156.07405	0.3
166.02597	0.4
167.03362	1.3
171.06483	0.3
171.11661	0.3
173.08099	0.9
181.04968	4.6
184.03662	0.2
198.18523	23.6
199.01814	0.2
199.06091	1.2
199.07628	0.3
199.11050	0.7
199.18909	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03947	1.5
55.01878	1.3
55.05508	2.3
55.77937	0.2
57.07071	1.1
63.00064	0.2
64.30219	0.2
65.03940	3.0
65.64947	0.2
67.05499	3.4
67.86434	0.2
68.99770	0.2
69.03419	0.3
69.07072	1.9
69.20826	0.5
69.21228	0.6
71.08625	0.3
72.04512	0.4
72.08150	0.3
74.09713	1.3
77.03928	2.4
79.05486	0.7
81.03409	0.4
81.07053	0.5
83.04966	0.3
83.08626	1.3
84.08967	0.2
92.02614	0.3
93.03388	1.0
93.07040	0.4
94.04143	0.2
95.04964	30.2
95.08619	0.4
96.05316	0.5
96.18594	0.2
97.02882	1.9
97.06568	0.3
97.10159	0.6
98.97574	0.3
100.07620	0.8
105.04508	4.6
107.01313	0.3
107.08596	0.4
108.02097	0.5
110.03667	1.7
111.04447	1.9
111.08040	0.2
116.97219	0.7
116.98615	0.3
120.02095	0.8
121.02862	2.0
121.03894	0.3
121.10164	0.2
121.41393	0.2
123.04427	12.2
125.02348	13.0
129.06990	0.2
137.02289	0.5
138.03094	0.3
139.03880	0.7
140.04674	100.0
141.05054	1.7
143.08578	0.3
149.02367	0.5
153.05542	0.4
155.07022	12.0
156.07405	0.3
166.02597	0.4
167.03362	1.3
171.06483	0.3
171.11661	0.3
173.08099	0.9
181.04968	4.6
184.03662	0.2
198.18523	23.6
199.01814	0.2
199.06091	1.2
199.07628	0.3
199.11050	0.7
199.18909	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03935	2.3
55.01852	1.5
55.05307	0.3
55.05507	3.9
57.07077	2.4
59.51985	0.4
60.85452	0.4
61.26926	0.3
65.03937	3.1
67.05501	2.8
69.07066	3.7
69.30428	0.4
69.40447	1.9
70.06574	0.4
71.04970	0.6
71.08624	1.0
72.04514	0.8
72.08121	0.4
74.09711	3.1
77.03918	1.9
79.05476	2.6
81.03394	0.5
81.07037	1.6
82.06573	0.4
83.08613	3.6
84.08945	0.5
85.02919	0.4
86.06040	0.7
86.09682	0.7
91.05415	0.5
92.02621	0.4
93.03427	0.8
93.07025	0.9
95.04962	29.5
95.08585	0.7
96.05260	0.5
97.02879	2.4
97.06525	1.3
97.10165	1.4
98.23540	0.6
98.97568	2.2
100.07604	1.2
105.04517	4.5
110.03661	1.6
111.04424	2.0
114.09138	0.5
114.83109	0.4
116.97216	2.0
116.98617	0.8
120.02033	1.0
121.02866	1.8
121.07621	0.4
121.10136	0.3
121.73302	0.3
123.03512	0.9
123.04414	13.2
125.02347	12.1
125.09643	0.4
131.40279	0.4
131.99542	0.6
134.99658	0.8
139.03928	0.8
140.04671	100.0
141.05037	1.6
143.08537	0.6
155.07021	12.9
156.07385	0.5
157.10164	1.1
166.02576	0.6
167.03401	1.1
171.11639	0.6
173.08075	1.2
175.98540	1.6
181.04951	5.3
198.18518	46.2
199.06044	1.2
199.11142	0.5
199.14865	1.9
199.18869	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	199.0601
Annotation	Syringic acid
Peak:m/z	Relative Intensity
51.02380	0.6
53.03951	1.9
55.01873	1.4
65.03933	2.9
67.05502	2.4
69.70310	0.8
77.03928	3.2
81.03403	0.5
82.04203	0.4
91.89560	0.2
92.02554	0.3
93.03408	1.2
95.04964	28.5
96.05305	0.4
97.02904	2.0
105.04517	4.2
107.01299	0.3
110.03654	1.8
111.04449	1.5
120.02118	0.4
121.02863	2.1
121.03987	0.3
123.04420	11.5
125.02345	14.9
137.02345	0.4
138.03079	0.4
139.03876	0.6
140.04675	100.0
141.05014	1.4
147.86156	0.2
148.01579	0.4
149.02322	0.5
149.03442	0.4
153.05486	0.3
155.07016	11.6
166.02609	0.7
167.03403	1.5
170.49159	0.3
173.08087	1.0
181.04941	4.4
182.92900	0.2
198.18452	1.3
199.06024	0.7
199.18840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03943	2.2
55.01862	1.2
55.05511	1.7
57.07055	0.9
59.92221	0.2
65.03935	3.0
66.81491	0.2
67.05499	3.0
69.07072	1.9
69.20047	1.3
69.20457	0.4
70.07371	0.3
71.15987	0.2
71.65892	0.2
72.08147	0.6
74.09703	1.2
77.03915	2.4
79.05470	0.3
81.03405	0.6
81.07063	0.4
83.04978	0.4
83.08620	1.4
91.05526	0.3
92.02565	0.3
93.03390	1.0
95.04963	28.3
96.05312	0.6
97.02888	2.0
97.06493	0.3
97.10175	0.7
98.97560	0.4
100.07618	1.0
103.87163	0.3
105.04511	4.4
107.01293	0.3
109.02835	0.4
110.03659	1.8
111.04441	2.0
111.08083	0.3
116.97195	0.8
116.98598	0.3
120.02036	0.7
121.02864	1.9
121.03886	0.5
123.04426	11.7
124.73412	0.3
125.02350	15.0
137.02272	0.4
138.03156	0.4
139.03880	0.7
139.84285	0.3
140.04674	100.0
141.05013	1.4
149.02391	0.3
154.06192	0.3
155.07021	11.4
163.08752	0.4
166.02594	0.8
167.03409	1.7
173.08102	1.0
181.04953	4.3
182.05342	0.3
198.18521	23.2
199.06020	0.8
199.10872	0.4
199.18871	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	201.0756
Annotation	Rehmaglutin C
Peak:m/z	Relative Intensity
52.39682	3.2
53.03935	7.8
55.01871	10.1
55.05507	11.8
56.96561	48.9
57.03435	4.9
57.07064	4.1
61.02914	10.5
64.38819	2.9
65.03952	7.0
67.05500	12.1
68.09864	3.0
69.03429	19.5
70.06575	5.7
70.86967	5.4
71.01353	36.2
71.04989	10.8
73.02911	15.0
79.05499	13.7
81.03420	14.4
81.07049	31.7
83.04974	26.0
84.08111	4.7
84.96048	19.9
85.02887	22.9
85.06540	4.9
87.04452	8.1
89.00787	3.9
91.05464	16.4
91.35914	3.7
93.07043	7.4
95.00793	3.4
95.04955	100.0
97.02881	36.1
97.06546	8.5
98.97575	93.0
99.04448	8.2
99.97917	3.7
107.04953	3.7
109.02892	7.6
109.06501	46.8
110.01234	4.9
110.97558	13.5
111.04420	31.8
113.06002	3.8
115.02283	3.7
116.98617	50.5
119.04943	8.9
120.01553	5.4
121.02886	22.4
121.50503	3.7
123.04411	15.8
125.05966	5.3
127.03909	4.5
128.02330	7.1
128.98608	17.3
129.02065	14.4
134.99678	18.8
137.05962	70.3
138.02530	8.1
139.03894	93.2
143.00121	7.5
145.01608	4.5
145.03384	5.0
146.99644	14.1
147.04376	8.3
153.05508	3.9
155.00098	3.6
155.07082	8.4
156.02525	5.5
157.03389	3.6
158.99635	24.2
159.02934	3.9
160.03891	9.7
161.01247	10.1
162.35942	3.9
165.05460	54.2
165.06770	4.8
171.03151	5.2
175.02795	7.3
177.00681	26.1
180.03624	3.6
183.03226	4.6
183.06508	14.5
185.01126	3.9
186.04652	3.5
211.02899	6.8
221.01222	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	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05500	3.1
58.26726	0.9
59.93093	1.7
67.05486	1.3
69.07045	4.7
69.18951	7.7
77.94140	1.4
79.05473	2.9
81.07047	6.5
82.40851	1.3
85.49997	1.1
91.05477	11.5
93.07040	9.8
95.04952	2.6
95.08585	1.3
96.68401	1.1
105.07021	15.2
107.08588	2.7
107.47243	1.2
109.06504	3.6
115.05439	2.7
116.06248	2.0
117.06996	4.8
118.96763	15.5
119.08549	5.7
121.06487	4.6
121.10123	1.0
128.06200	2.2
129.06984	4.0
130.04074	1.2
130.06509	1.5
130.07776	2.3
131.08565	33.4
133.10107	2.0
133.99059	3.4
141.06938	1.7
142.07797	2.7
143.07549	1.1
143.08536	4.9
144.05695	2.2
144.09335	1.5
145.06482	22.1
145.10121	21.1
146.07278	7.6
154.96465	5.4
155.08536	3.2
157.10121	4.5
158.07219	3.1
158.10875	3.7
159.08047	65.1
159.11700	15.3
159.97025	1.7
160.08371	1.4
168.09390	1.7
171.08023	12.2
171.11613	1.7
172.08783	5.6
173.05934	1.3
173.09599	10.2
173.13248	13.4
177.98058	9.5
184.03406	2.6
185.09528	6.0
186.10274	39.3
186.11560	6.0
201.03729	1.5
201.05424	6.6
201.12717	100.0
201.16336	14.3
202.13121	2.2
209.30252	1.2
224.03867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1387
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
57.05802	0.7
70.13588	0.5
84.29765	0.2
94.06559	0.3
114.22410	0.3
118.06554	0.4
118.96750	0.3
119.87244	0.2
130.06520	9.9
135.47931	0.2
143.07292	1.5
144.08116	1.6
145.08862	0.9
156.06908	0.3
156.08069	0.8
157.08844	0.6
158.05907	0.3
171.09148	5.4
185.10732	2.8
186.11514	100.0
187.11858	2.5
201.13863	25.2
202.14209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1386
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
53.43892	0.2
54.02246	0.2
57.05773	0.6
68.34029	0.2
69.94015	0.2
69.94325	0.3
80.11400	0.2
81.07004	0.2
85.02843	0.1
115.05431	0.2
117.06984	0.3
118.96729	0.5
129.06998	0.2
130.06512	9.8
131.07108	0.2
143.07306	1.8
144.08075	2.1
145.06458	0.2
145.08813	1.0
145.09990	0.3
154.06483	0.5
156.08035	0.8
157.08856	0.4
158.03520	0.2
159.11729	0.4
171.09161	5.9
173.06012	0.3
177.98013	0.4
185.10712	2.4
186.11505	100.0
187.11859	2.1
201.05498	0.6
201.13857	25.0
202.14188	0.4
221.34320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.48023	0.7
55.05497	1.6
57.07078	4.3
59.93105	1.5
67.05495	4.5
69.07056	3.7
77.94128	0.9
79.05480	5.7
81.07053	6.2
91.05464	7.2
93.07046	6.4
95.08598	12.7
103.80721	0.9
105.07023	12.8
107.08590	11.7
108.13702	0.9
109.10138	2.9
114.55183	0.8
115.05455	1.2
116.06222	1.4
117.07015	9.4
118.96750	14.7
119.08572	15.0
120.46662	0.8
121.10143	4.6
128.06209	1.9
129.06999	5.3
130.07744	3.8
131.08554	27.6
133.10114	15.5
133.99075	3.4
136.95386	1.5
142.07742	2.3
143.08554	6.2
144.09323	11.4
145.10107	46.2
154.96451	4.9
155.08507	1.1
157.10123	13.6
158.10904	5.6
159.11676	93.3
160.12006	2.6
171.11658	9.7
172.12431	6.6
173.13234	26.8
177.98050	10.9
186.14015	6.5
201.05394	1.7
201.16359	100.0
202.16660	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	201.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51256	0.7
55.05506	1.3
57.07084	4.5
57.56020	0.7
59.93106	1.5
67.05510	4.1
69.07051	3.4
69.47367	3.4
77.94128	1.0
78.29928	0.7
79.05485	2.9
81.07067	6.1
91.05473	7.4
93.07054	4.9
95.08608	11.1
105.07027	11.9
107.08585	8.8
109.10143	3.8
115.05435	1.1
116.06249	1.0
117.07030	9.6
118.88010	0.8
118.96761	13.8
119.08582	12.3
121.10135	2.5
128.06169	1.6
129.07039	3.8
130.07793	2.9
131.04829	1.1
131.08569	22.8
132.09409	0.8
133.10129	16.5
133.99106	2.4
142.07797	1.7
143.08575	7.8
144.09344	11.6
145.10124	41.0
146.10855	1.5
147.11649	1.8
154.96448	4.7
156.09355	0.9
157.10143	11.4
158.10902	6.5
159.11691	89.7
160.12050	2.5
167.92493	1.0
171.11679	9.6
172.12497	8.2
173.13249	22.5
174.13588	1.0
177.98071	7.6
186.13986	6.5
201.05412	1.5
201.12657	2.4
201.16380	100.0
202.16754	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75941	0.4
52.22131	0.5
56.86590	0.5
62.06083	0.5
64.33958	0.5
70.06586	0.6
70.09412	0.8
72.56777	0.5
82.99869	1.3
84.04496	20.1
97.01363	1.1
97.28129	0.5
101.00864	8.9
102.00960	0.5
102.09167	0.8
107.62256	0.5
108.04261	0.5
114.03999	0.9
115.02433	3.3
117.03967	1.0
118.03469	0.5
118.91524	0.5
119.01905	13.9
124.02450	2.4
128.07042	0.9
130.03510	1.9
132.05009	0.7
133.03459	1.2
135.05035	0.7
137.02950	1.9
139.02336	2.4
142.03491	16.0
143.03653	0.5
148.04559	0.9
150.06154	0.7
157.03458	18.5
158.03680	0.7
160.04541	21.5
161.04631	0.9
166.03481	7.3
167.02003	0.8
175.04486	4.8
184.04539	100.0
184.32446	0.5
185.02939	8.2
185.04698	3.5
202.05588	66.5
202.18016	1.4
203.03976	2.8
203.05782	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	1.3
57.37111	1.5
68.05009	3.1
69.03431	1.1
69.79234	1.3
70.06596	10.5
71.06109	3.7
71.42092	2.1
71.64606	1.4
72.08144	3.8
82.06541	1.8
84.04025	2.1
84.04504	37.9
88.08695	3.4
98.06043	2.6
101.00870	8.1
102.09150	2.0
114.05543	9.8
115.02460	7.5
116.07085	3.7
119.01915	29.7
128.07071	2.6
130.03517	3.5
130.05005	6.8
133.03496	3.6
137.02971	8.4
139.02428	3.0
139.08604	1.6
142.03487	16.5
142.04976	8.9
144.10213	2.2
148.04530	2.1
157.03455	29.3
158.12842	2.1
159.07626	3.2
160.03255	2.2
160.04572	40.7
161.02986	1.7
166.03537	6.1
167.01714	1.7
172.10753	1.9
175.04518	17.9
184.04552	100.0
185.02945	11.8
185.04657	3.4
202.05605	89.6
202.08658	6.1
203.03975	6.1
203.05591	4.2
203.14998	4.4
207.06136	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0863
Annotation	Simazine
Peak:m/z	Relative Intensity
50.31586	0.1
51.63581	0.1
55.01866	0.2
67.06339	0.1
69.60987	0.6
72.08150	0.1
84.04493	0.1
84.08130	0.4
91.05469	0.6
96.04505	0.2
103.05455	0.3
105.07007	0.2
112.11232	0.2
115.05475	0.2
118.06537	3.6
119.04913	0.3
121.06500	0.6
128.10728	0.2
129.06946	0.2
130.06514	0.2
131.04922	0.5
133.06525	0.3
134.05595	0.1
141.07018	0.2
144.05730	0.2
145.06471	0.5
146.05998	12.5
147.06859	1.0
147.07903	0.3
157.06462	0.7
157.07619	0.3
159.06773	0.7
159.08066	0.4
160.07549	0.3
174.09137	9.2
184.07518	0.2
202.08618	100.0
203.08977	2.4
205.89253	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	202.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87234	0.4
51.52764	0.4
55.01863	0.4
55.05505	2.7
56.96562	0.6
57.03424	0.6
63.38888	0.4
68.05021	1.2
69.03423	2.9
70.06590	8.1
70.62194	0.4
70.70181	0.6
72.08153	17.8
79.05476	1.3
81.07066	3.0
84.04504	2.9
84.08137	0.9
84.60030	0.3
84.89388	0.4
86.06060	11.4
86.09698	3.7
87.04465	30.3
95.04980	0.5
98.06051	36.9
100.02476	0.4
101.00865	0.7
102.05534	0.4
102.09119	0.5
110.09648	1.0
112.07592	0.5
112.11229	0.6
114.05533	1.5
116.98611	0.6
119.01945	3.0
130.05031	1.1
130.08646	0.5
132.06566	0.5
132.10187	1.4
137.02954	0.9
138.09160	0.8
140.10698	27.5
141.11034	0.5
142.03497	1.1
142.04985	0.8
146.81801	0.4
156.10181	0.9
157.13358	0.5
158.11755	100.0
159.12088	1.8
160.02783	0.6
161.02962	1.0
179.03954	0.7
179.99115	0.5
184.09755	0.7
202.08766	0.5
202.10736	0.8
202.14362	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	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00083	1.1
52.88375	1.0
69.04213	1.2
70.47699	2.2
71.94623	1.0
79.16575	1.0
84.04466	1.1
105.66948	1.0
114.05495	1.6
116.81343	1.1
122.79865	1.0
142.05032	1.3
203.05247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70202	0.3
61.00832	0.5
61.01126	6.4
61.70928	0.3
62.99039	0.7
67.05500	0.6
68.08154	0.3
68.64907	0.3
69.07055	0.4
71.42715	0.5
77.00599	31.6
79.02162	3.4
79.05508	0.6
81.07053	0.7
84.04487	0.6
84.08114	0.5
91.05485	1.1
93.07044	1.5
95.01637	100.0
95.08589	1.5
96.01588	0.9
96.99557	3.7
99.02642	2.0
101.04214	0.6
105.07022	2.7
107.01624	4.5
107.08559	0.7
109.03196	1.5
109.10179	0.7
112.11239	0.9
113.02678	5.2
115.02116	2.8
117.03690	1.4
117.07028	0.7
118.03219	3.3
119.01599	1.1
119.08585	2.2
121.03175	15.9
121.06483	2.6
121.10140	0.6
128.06281	0.4
129.07001	1.1
129.13872	0.5
131.05147	0.6
131.08571	1.0
133.03154	21.6
133.10138	1.1
139.04243	0.7
142.07741	0.9
143.08551	0.6
145.06790	32.9
146.07077	0.3
147.08052	0.8
147.11691	1.8
151.04185	2.9
157.06497	0.7
157.10136	1.1
159.11681	1.3
161.02599	0.4
161.09607	0.8
161.13229	0.7
174.13713	0.4
175.07552	1.2
175.11159	0.8
179.03696	15.7
185.09673	1.0
203.06985	4.0
203.10469	1.9
203.14320	1.9
203.17926	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	203.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72561	0.4
55.05499	0.7
56.08365	0.5
57.07064	0.7
58.06602	0.8
59.56266	0.4
61.01124	6.6
69.62066	0.4
70.06588	1.1
71.42435	0.5
72.08147	0.9
74.09704	1.5
77.00601	33.3
77.76709	0.4
78.28465	0.4
78.98516	0.7
79.02155	4.4
84.04514	2.8
84.08134	1.8
91.05470	0.7
93.06977	1.1
95.01639	100.0
96.01588	1.2
96.99565	3.2
97.02084	0.7
99.02658	1.5
101.04195	0.6
103.02148	0.9
103.05457	0.6
107.01617	4.1
109.03185	1.6
111.09847	0.4
112.11227	2.8
113.02689	4.5
115.02141	2.7
117.03676	1.8
118.03211	1.8
119.01607	1.1
119.08575	0.5
120.96503	0.6
121.03181	15.8
121.06509	5.0
122.95979	0.6
129.07028	0.6
129.13882	1.8
130.04977	0.8
130.06537	0.9
131.05186	0.6
133.03162	18.6
135.01108	0.6
145.06792	29.0
151.04189	3.0
157.06406	0.5
157.07559	1.3
160.18785	0.4
175.07642	0.5
179.03702	12.2
185.05972	0.5
186.11241	2.1
188.37991	0.5
203.07190	2.6
215.92395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1279
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.05509	17.2
57.03430	4.9
57.07064	4.2
57.93927	2.3
59.04985	2.2
64.57832	2.0
65.03926	6.7
67.05497	35.0
68.68333	2.1
69.03425	26.3
69.07067	26.3
70.06566	2.7
71.04982	12.6
75.98347	1.9
79.05487	55.8
81.07052	32.9
83.04973	19.8
84.08128	2.7
85.02933	2.4
85.06528	3.8
86.09689	6.4
87.04452	5.6
87.21759	2.2
89.54476	2.4
90.00056	2.3
91.05476	21.9
93.03376	4.4
93.07039	100.0
95.04958	6.2
95.08605	58.8
97.02885	60.2
97.06528	13.3
105.07020	14.9
107.04965	4.1
107.08585	19.8
108.54411	2.1
109.10114	12.1
111.04436	14.2
111.08060	4.2
112.11219	6.5
115.03904	2.3
119.08567	9.0
121.06493	3.8
121.10140	81.9
122.10403	3.5
123.08030	8.4
125.05984	8.7
129.07001	6.7
129.13872	3.1
131.08548	18.3
133.10121	4.3
135.48543	2.3
139.11189	14.6
147.04468	2.5
147.08047	2.9
149.09602	23.2
157.10097	5.0
157.12238	5.2
160.05115	2.4
161.05937	3.1
161.09583	3.0
167.10669	40.9
175.11102	2.9
185.09605	3.2
203.06996	10.2
203.10603	3.6
203.14291	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	203.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.4
57.07072	29.5
59.14155	0.7
62.39136	0.7
69.49251	1.9
69.49635	1.8
74.09715	86.1
83.06105	2.2
84.04501	100.0
84.49200	0.8
85.02887	5.1
85.04803	0.9
85.16846	0.8
102.05545	6.0
130.04996	45.4
140.10728	1.0
157.13367	19.9
186.11241	66.4
187.11575	1.2
203.13928	10.1
214.41136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Khusilal
Peak:m/z	Relative Intensity
53.03932	1.2
54.23059	0.6
55.01874	0.6
55.05511	4.8
57.03424	1.0
57.07067	0.9
59.04996	1.6
67.05499	1.2
69.03442	1.5
69.07067	3.3
79.05492	4.0
81.03422	7.4
81.07044	5.5
83.04965	1.0
83.08633	0.8
91.05472	6.8
93.07034	2.8
95.05010	1.8
95.08600	2.7
103.85645	0.7
105.07024	14.3
107.08572	3.4
109.06516	3.9
109.10169	1.1
117.07019	3.0
119.08578	25.7
120.08926	0.8
120.96568	0.8
121.06515	1.5
121.10137	2.6
122.07290	3.3
123.08037	1.2
128.06213	2.7
129.07011	2.1
131.04967	0.9
131.08560	6.0
133.06500	2.9
133.10129	21.0
135.08047	8.6
141.07010	1.5
142.07784	5.4
143.08562	6.1
144.09331	3.1
145.06464	2.6
145.10147	7.4
146.07263	3.0
147.08054	6.8
147.11673	7.7
149.02356	1.3
155.08557	1.5
156.09349	2.6
157.10088	7.7
159.08051	8.9
159.11696	18.0
160.07541	1.0
160.08792	4.8
161.09621	45.7
161.13226	8.8
162.09993	0.9
170.09581	1.0
170.10922	12.0
173.09624	10.7
173.13269	1.7
174.10370	12.9
175.11191	7.9
175.14821	12.4
185.09615	1.7
185.13266	12.8
187.11238	4.5
188.11963	18.5
203.10736	11.0
203.14311	100.0
204.14630	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Khusilal
Peak:m/z	Relative Intensity
51.34254	0.5
55.05500	2.4
57.03425	1.0
57.07064	1.1
59.04980	2.7
65.54057	0.6
67.05499	2.0
69.03416	1.9
69.07053	3.2
73.31551	0.5
74.24163	0.6
79.05504	3.2
81.03413	3.7
81.07053	5.6
83.04957	0.7
91.05486	5.0
93.07026	2.2
95.04943	1.0
95.08608	3.8
97.06546	0.9
105.07019	10.4
107.08574	3.8
109.06517	3.7
109.10133	1.0
115.05471	0.8
116.12424	0.7
117.07007	2.8
119.08569	23.8
121.06449	1.5
121.10116	1.8
122.07285	1.9
128.06226	2.1
129.06982	2.2
130.07751	1.1
131.04941	0.6
131.08554	3.7
133.06474	2.5
133.10120	18.7
135.08032	9.9
135.11710	1.0
141.06990	1.2
142.07809	2.9
143.08565	5.8
144.09338	3.0
145.06468	1.9
145.10120	7.1
146.07268	4.7
147.08028	6.8
147.11668	6.2
155.08507	2.7
156.09306	1.7
157.10097	9.4
159.08049	8.9
159.11673	18.7
160.08855	4.5
160.12395	1.5
161.09605	47.3
161.13216	7.5
162.09984	1.0
170.10887	10.4
173.09608	11.0
173.13243	1.1
174.10387	11.4
175.11212	7.1
175.14812	11.1
184.97435	0.6
185.09532	0.8
185.13248	12.3
187.11211	4.3
188.11954	19.3
203.10724	9.4
203.14299	100.0
204.14670	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.33890	1.2
55.05510	11.4
56.63853	1.3
57.07063	5.6
62.06080	1.4
67.05503	22.2
69.07066	15.5
69.72939	3.5
71.08586	1.3
79.05488	9.2
81.07054	37.6
83.08604	5.4
84.49653	1.5
91.05481	17.9
92.46768	1.3
93.07043	22.7
95.08601	68.8
97.10159	2.3
100.31171	1.3
103.05477	1.7
105.07025	71.2
106.07311	1.7
107.08588	27.5
108.08868	1.4
109.09422	2.9
109.10150	50.2
117.07022	2.1
119.08576	74.0
120.08995	1.5
120.96489	1.3
121.06486	2.1
121.10139	20.2
123.11700	8.9
127.16169	1.3
131.08540	3.8
131.37677	1.6
132.09331	1.6
133.10124	52.8
133.91269	1.4
135.11670	5.3
145.10101	6.9
147.11679	95.4
159.11674	2.4
160.12416	3.3
161.13254	25.1
175.14790	6.3
179.97852	2.4
203.17952	100.0
203.21936	17.5
204.18196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05510	8.7
57.07066	2.3
61.82610	1.0
65.03939	1.0
67.05502	19.1
68.32303	0.9
69.06711	1.4
69.07062	15.0
69.52994	4.3
72.69015	1.1
77.36692	0.9
79.05485	8.9
81.07049	33.1
83.08617	4.8
84.08106	1.1
91.05473	14.4
91.75941	1.1
93.07043	17.3
95.04949	1.1
95.08598	73.7
96.08925	2.1
97.10148	2.9
98.22685	1.9
105.07023	56.4
107.08581	18.3
109.10145	42.8
111.11703	1.3
112.11211	2.5
115.05409	1.8
117.06999	3.5
119.08573	52.8
120.96555	1.3
121.10136	24.7
123.11703	22.0
128.06200	1.4
129.06987	3.4
131.08540	4.6
132.09369	1.3
133.10110	34.2
135.11642	5.2
139.11166	2.6
143.08560	1.6
145.10078	7.9
147.11671	71.2
148.12093	1.7
157.06476	1.8
157.10065	1.8
159.11716	3.2
160.05170	1.4
160.12471	4.8
161.09604	1.7
161.13248	15.9
173.13260	3.5
175.07518	3.5
175.14864	3.3
181.72453	1.0
185.05864	1.5
185.13223	1.2
203.03615	1.1
203.06876	6.2
203.10614	2.3
203.14345	3.3
203.17934	100.0
204.18269	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
50.71479	1.4
54.90530	1.7
55.05503	8.2
58.79902	1.4
64.86359	1.6
67.05499	10.5
69.07071	21.1
69.48568	1.5
69.48894	7.8
79.05479	8.6
81.07056	31.5
83.08640	3.1
84.87747	1.6
88.22569	1.5
89.76859	1.6
91.05476	21.8
93.07047	17.9
95.08605	27.3
105.07030	59.5
107.08580	19.8
109.10144	24.0
117.07018	3.8
119.08579	41.4
121.10151	17.4
123.11691	5.4
131.08556	4.7
133.10121	46.0
135.11652	3.8
145.10118	10.7
147.11679	83.7
148.12032	2.1
159.11665	4.3
160.12453	9.7
161.13264	22.6
175.14821	2.2
203.17949	100.0
204.18307	2.6
218.01295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1383
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
50.12040	0.7
51.95630	0.6
53.03935	1.5
55.01651	0.8
55.01872	8.4
55.05504	3.3
56.05031	0.8
57.07063	0.8
65.03935	1.2
67.05499	13.3
68.05021	2.4
69.03387	0.9
69.05807	1.1
69.07070	3.9
70.06588	4.0
71.05000	1.0
71.44125	0.6
77.03931	0.7
78.32558	0.6
79.05047	1.1
79.05491	21.1
80.04990	1.9
80.05836	0.8
81.07061	12.2
82.06571	2.3
82.07368	1.0
84.04499	1.2
84.08131	1.7
91.05476	12.2
93.07040	22.9
94.06565	15.6
95.04971	5.5
95.08601	3.9
96.04475	0.7
96.08127	3.3
98.06079	0.8
105.04552	1.3
105.07023	6.4
106.06544	3.8
106.07279	1.4
107.04959	7.9
107.07380	0.7
107.08605	8.6
108.08118	3.2
108.08852	0.8
109.05280	1.5
109.06496	2.8
109.10173	1.5
110.06039	2.0
110.09695	1.4
110.10465	1.1
112.07610	5.9
117.07026	2.6
118.06543	2.7
119.08578	6.0
120.04456	1.6
120.08113	14.4
120.08893	1.1
121.02840	0.8
121.06480	1.2
121.10146	1.1
122.06020	13.2
122.09623	1.0
123.11621	0.7
130.06496	1.1
131.08517	1.5
132.08136	0.8
133.08850	1.4
133.10118	1.8
134.05940	1.7
134.09616	2.7
135.08035	2.6
135.11656	2.6
136.07571	21.9
136.08629	1.3
144.08034	1.2
145.06456	0.9
146.09639	3.2
147.10400	1.3
147.11656	1.1
148.07561	16.4
148.11064	1.6
148.12148	1.3
149.02362	4.5
149.08362	5.1
157.08783	1.0
160.07582	1.5
160.11160	1.6
161.08344	0.7
162.09108	2.3
170.09737	0.9
170.17795	0.7
174.12738	3.5
175.09901	1.3
176.14325	11.3
186.12781	6.3
204.13821	100.0
204.18028	2.7
205.12346	0.8
205.14192	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	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.7
57.07079	5.8
59.79306	0.6
65.03928	3.8
69.03451	0.8
70.02667	1.4
73.02920	0.7
74.02441	0.8
78.95290	0.9
80.66196	0.6
81.03423	1.7
85.02906	2.2
91.05483	3.2
92.96725	0.5
93.03397	1.0
93.07046	0.8
97.02890	2.1
101.07173	1.5
103.05421	1.0
105.07076	1.0
109.02892	1.5
111.04449	1.4
115.05450	3.2
117.05778	1.4
117.07023	3.6
118.06539	44.7
118.19054	0.6
119.06888	1.1
119.97855	0.8
121.02877	6.5
121.03999	2.7
121.06491	2.4
122.06835	3.1
123.97469	0.6
127.03898	0.7
130.06494	3.1
131.08571	0.9
132.08084	10.5
135.08047	0.8
142.06522	4.3
143.07291	5.7
144.04404	1.1
144.05612	0.6
144.08086	21.5
145.06500	0.8
146.06004	100.0
147.06360	2.3
149.02341	50.3
155.06111	1.2
159.08017	1.0
159.09181	9.5
160.07602	1.9
164.79677	0.7
170.06009	7.4
181.97896	1.1
187.07645	0.8
188.07063	87.0
189.07388	1.6
205.08461	1.3
205.10146	0.8
205.15808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07074	1.4
65.03933	1.4
69.36343	2.6
74.02419	1.3
87.20820	0.6
88.50612	0.6
91.05465	1.9
92.54198	0.5
97.02898	0.9
115.05434	2.5
117.05761	1.1
117.07003	2.4
118.06533	41.1
119.06834	0.7
121.02856	2.5
121.03917	0.7
121.06495	1.0
122.06834	1.3
130.06488	3.3
132.08078	9.9
134.36293	0.5
142.06482	4.5
143.07297	4.9
144.04385	1.3
144.08086	22.6
144.48491	0.6
146.05997	100.0
147.06337	2.0
149.02328	16.2
159.09172	9.6
160.07564	1.4
170.06026	7.8
188.07054	85.6
189.07312	1.4
189.73259	0.7
205.09628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	2.1
55.01627	1.8
55.01873	28.8
55.05490	3.2
57.03433	1.5
57.07058	3.0
65.03919	3.1
66.97963	0.9
67.05502	6.7
69.03426	6.9
69.07064	11.2
70.27357	0.8
71.04982	1.3
71.42350	0.8
77.03928	1.7
79.05483	8.6
79.67352	1.0
81.03411	6.6
81.07048	7.3
83.01342	1.4
83.04978	6.6
85.02876	1.7
91.04935	1.7
91.05472	20.2
93.07039	19.1
95.04960	9.6
95.08602	3.1
97.06535	6.8
99.04437	1.4
103.05444	2.0
105.04530	1.6
105.07022	21.5
107.04940	9.9
107.08581	24.5
107.09267	2.0
109.06503	9.2
109.10136	1.5
111.04486	1.2
115.05439	3.7
116.06239	1.2
117.07011	13.5
118.56165	0.9
119.04961	2.4
119.08570	15.2
121.02863	7.1
121.06506	28.4
121.10130	15.9
123.04414	1.0
123.08095	5.6
128.06198	2.3
129.06984	6.8
130.07770	4.2
131.04893	2.7
131.08556	14.9
132.05771	1.0
133.06480	3.6
133.10117	15.9
134.07236	1.3
135.04372	1.7
135.08038	20.5
135.11674	15.7
136.05185	2.6
136.08827	1.5
137.05948	1.6
137.09621	1.8
141.06932	2.8
143.08545	3.8
144.09315	8.0
145.06476	50.9
145.10117	27.9
147.08031	12.1
149.02335	12.0
149.05977	17.4
149.09608	36.1
149.13220	10.2
150.06660	1.2
151.11160	8.2
154.07724	1.2
157.10120	1.7
159.08054	8.1
159.11679	35.4
160.08775	3.6
161.05937	1.8
161.09563	5.0
162.06758	2.1
162.10393	4.9
163.07538	10.6
163.09792	1.6
163.11168	32.1
164.11517	1.2
169.10167	1.5
172.08838	5.5
175.11147	1.6
177.09146	12.2
177.12729	58.1
178.13112	1.5
182.66328	1.1
187.07487	3.4
187.11171	15.9
190.09816	2.3
205.08580	21.7
205.12219	100.0
206.12569	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03934	4.9
55.05507	10.9
57.07064	2.6
57.11504	1.7
61.46707	1.7
65.03926	4.6
65.16276	1.5
67.05500	27.2
69.07064	13.5
69.59227	8.1
77.03949	1.4
79.05489	25.8
81.03412	3.1
81.07048	31.5
83.04971	4.5
83.08595	2.5
91.04946	2.4
91.05476	34.0
93.03367	2.8
93.07042	29.4
94.07849	1.6
95.04970	7.8
95.08602	57.1
97.02879	2.8
97.06480	3.1
98.23452	2.9
99.04412	3.1
103.05447	4.4
105.06348	3.1
105.07021	49.1
107.04942	5.4
107.08591	36.4
108.09371	4.8
109.06482	6.6
109.10175	8.2
111.04420	4.2
115.05415	1.8
117.07018	32.9
119.08573	38.4
121.06451	4.8
121.10140	6.7
122.46272	1.6
123.04414	6.7
123.08049	6.5
123.11691	31.3
124.12039	1.7
127.37719	1.5
128.06210	3.3
129.06993	10.3
130.07784	4.4
131.04893	5.6
131.08562	45.4
133.10120	17.6
135.04404	28.8
135.08041	4.6
135.11681	18.6
137.05977	2.9
141.06972	2.0
143.08517	2.8
144.09337	20.1
144.69423	1.6
145.06453	3.7
145.10098	12.2
149.02324	10.3
149.05981	19.8
149.09535	2.2
149.13223	5.2
154.07751	2.9
157.10110	2.5
158.07275	1.8
159.08034	7.0
159.11681	100.0
161.13239	5.4
163.07504	9.8
163.11171	2.8
169.10149	10.6
169.11412	1.8
172.08836	2.9
177.12714	9.2
187.11163	59.0
205.12224	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.52291	1.1
55.05511	11.7
57.03417	2.5
57.07072	5.8
59.04975	2.3
65.03926	2.0
67.05502	12.2
69.03420	3.1
69.06713	1.9
69.07067	29.1
69.49748	6.3
71.04979	1.9
77.03897	1.4
77.36710	1.3
79.05478	13.6
81.07053	18.9
83.04964	5.5
83.08621	11.8
85.06506	3.2
91.05476	15.5
93.06452	1.4
93.07039	28.0
94.32581	1.4
95.04964	3.6
95.08599	41.0
97.06525	6.2
98.23414	2.5
99.08070	3.7
105.07021	41.6
107.04958	2.9
107.08584	64.5
107.67894	1.3
108.08960	1.2
109.05799	2.2
109.06492	11.7
109.10155	18.5
111.08073	5.1
117.06981	9.0
119.08569	50.6
121.02901	2.5
121.06490	8.5
121.10133	55.0
123.08075	21.3
123.11682	9.9
127.77585	1.2
129.06996	2.6
130.07761	4.7
130.37445	1.3
131.08571	20.8
133.10121	37.3
135.08052	14.6
135.11691	14.0
137.09616	3.3
143.08575	8.3
144.09367	3.1
145.10115	70.9
146.10480	2.4
147.11684	26.1
149.02325	13.8
149.09618	12.1
149.13277	6.8
157.10088	6.3
158.10909	7.3
159.11688	19.7
160.24144	1.3
161.13252	33.7
162.10471	1.4
163.11191	12.3
163.14789	25.9
172.12445	3.8
173.13208	1.4
174.14113	2.5
175.14806	42.0
177.12744	2.1
177.16376	25.8
183.49185	1.3
187.14803	50.3
205.15866	100.0
206.16151	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	205.1588
Annotation	Mayurone
Peak:m/z	Relative Intensity
55.01886	0.6
55.05507	8.4
57.07079	3.5
59.05000	1.5
65.03943	1.6
67.05505	8.7
68.29198	0.6
69.03420	1.9
69.07069	29.4
69.07451	1.5
69.14416	0.7
70.95229	1.4
71.04980	1.3
71.08611	1.2
79.05490	13.8
81.07055	38.9
83.04984	4.2
83.08626	5.4
85.06538	1.4
91.05476	8.6
93.07045	37.1
95.04977	2.5
95.08607	22.8
97.10155	3.0
103.05492	0.9
105.07034	10.5
107.04942	0.8
107.08592	33.4
109.06525	4.2
109.10149	14.1
111.11726	1.3
115.05447	1.0
117.06995	2.1
119.08565	8.6
121.02914	1.5
121.06519	4.9
121.10143	76.3
122.10446	1.5
123.08062	8.2
123.11695	5.0
125.09627	1.2
130.07776	0.7
131.08592	4.2
133.10118	3.1
135.08049	33.9
135.11690	14.2
137.09619	2.2
137.13310	1.0
143.08507	1.5
144.09399	0.9
145.10120	6.3
147.11681	16.8
149.02333	7.9
149.09610	20.3
149.13254	22.9
157.10115	1.2
159.11670	4.6
159.67816	0.7
161.09612	1.1
161.13240	5.0
162.10414	2.2
163.11189	7.0
163.14813	7.5
172.12460	1.0
175.11171	8.6
177.12767	1.2
177.16376	7.5
187.14807	14.8
189.12706	0.8
190.13542	7.4
205.15874	100.0
205.19293	9.0
206.16223	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.63302	0.5
53.03949	0.6
55.01860	0.9
55.05504	3.5
57.07061	0.6
59.04993	0.7
63.31105	0.6
67.05511	2.9
69.03416	1.8
69.07066	16.3
71.04975	1.1
73.06519	0.5
79.05492	4.2
81.07051	7.0
81.32928	0.5
83.04979	3.9
83.08617	3.8
83.45107	0.6
85.06529	1.2
85.73215	0.5
91.05476	4.4
93.07040	8.3
95.04957	0.6
95.08601	8.9
97.06515	0.9
97.10162	0.7
98.22662	1.6
103.05447	0.5
105.07027	8.9
107.04950	0.8
107.08588	13.0
109.06517	4.7
109.10148	3.2
111.08081	0.8
117.06989	1.2
119.08578	9.3
119.13731	0.5
120.78823	0.5
121.06500	4.4
121.10136	12.6
123.08067	7.6
123.11718	0.6
125.09635	1.4
129.06992	0.7
131.08578	4.6
133.10117	2.1
135.08049	29.9
135.11671	6.2
137.09634	2.6
143.08508	1.1
145.10115	7.8
147.08015	0.5
147.11676	15.9
148.12019	0.7
149.02374	3.7
149.09610	20.1
149.13226	2.0
157.10100	0.9
159.11676	3.1
161.09686	0.6
161.13283	3.6
162.10411	1.8
163.11185	8.1
163.14825	5.8
172.12471	1.4
175.11169	7.8
177.12801	1.2
177.16376	8.1
187.14813	13.3
189.12726	1.1
190.13538	7.9
205.15869	100.0
206.16191	1.9
206.19000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.77003	1.2
55.01872	2.3
55.05256	1.6
55.05506	15.3
55.57639	1.1
56.96563	1.5
57.07062	5.7
65.03928	2.2
67.05502	10.4
69.03416	3.4
69.07062	10.0
70.05257	3.1
70.05585	2.3
71.06112	2.1
79.05488	8.2
81.03414	1.9
81.06638	1.4
81.07063	15.4
83.04984	33.4
83.08627	7.9
85.06542	3.8
90.07460	1.3
91.05448	10.0
93.07047	14.5
95.05022	1.2
95.08603	41.2
96.51876	1.3
97.06518	5.8
99.08066	2.7
103.05402	1.4
103.13750	1.2
105.07031	17.9
107.08593	39.4
109.06511	12.5
109.10150	37.4
111.08082	10.7
117.06989	2.3
119.08580	13.8
121.02876	4.9
121.03975	1.3
121.06498	5.2
121.10133	52.5
123.08066	50.0
123.11710	2.1
125.09624	6.0
129.06932	1.3
131.08583	6.8
133.10143	8.0
135.08049	100.0
135.11655	11.5
137.09607	16.9
137.98816	1.5
143.08536	3.2
145.10130	20.1
147.11673	13.8
149.01236	2.3
149.02344	35.0
149.09615	27.0
157.10121	1.9
159.11638	8.2
161.13264	15.4
163.11206	6.3
163.14848	11.4
172.12427	2.1
177.12743	2.1
177.16405	19.8
187.14806	23.2
205.09778	1.5
205.15875	66.0
225.46591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03943	1.2
53.98030	1.1
55.05509	18.4
56.96570	1.1
57.07075	11.3
57.29100	1.1
63.39891	1.0
65.03929	2.8
67.05505	14.5
69.07065	16.2
69.15712	1.1
69.69294	4.9
69.69640	1.5
71.08628	2.2
77.44362	1.1
79.05492	14.8
81.03455	1.3
81.07059	40.5
83.08614	6.9
85.02876	1.4
87.24700	0.9
89.69844	1.0
91.05463	7.4
93.07043	44.2
95.04960	2.4
95.08601	34.8
96.08929	1.1
97.10162	11.7
98.23402	1.4
105.07021	9.0
107.08586	44.4
109.06483	1.8
109.10149	31.0
109.10893	1.9
111.04433	1.2
111.11688	1.8
117.07018	3.0
119.06035	1.3
119.08556	5.5
121.02889	3.9
121.03914	2.1
121.06503	1.7
121.10139	22.3
123.11702	100.0
131.08546	4.3
133.10138	1.6
135.08035	1.2
135.11684	61.0
136.12027	1.7
137.13284	1.6
145.10126	7.3
147.11664	2.7
149.02348	31.4
149.09581	1.7
149.13254	64.2
159.11743	7.1
161.13255	2.6
163.14772	5.7
175.14783	2.0
177.12756	1.4
187.11073	1.3
187.14835	5.1
194.04185	1.0
205.12222	4.3
205.15923	4.8
205.19496	28.8
205.22409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05503	7.2
56.96560	2.0
57.07069	5.9
65.03920	2.1
67.05501	8.1
69.07065	7.6
71.06116	1.0
79.05492	7.9
81.07050	30.6
83.08624	2.4
91.05487	3.6
93.07037	22.4
93.07605	1.6
95.08599	12.8
97.10170	1.8
105.07017	2.0
107.08582	23.2
107.09254	1.7
108.35989	1.1
109.10141	14.5
121.02879	2.8
121.06511	1.4
121.10132	7.4
123.11695	100.0
124.11996	2.0
135.11684	55.4
146.06010	1.5
149.02321	23.9
149.13240	14.0
149.14323	1.5
163.02797	1.1
163.14803	1.9
174.74246	0.9
180.00359	0.8
205.12210	1.6
205.15889	2.0
205.19478	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.89309	0.5
53.03936	0.7
55.05257	0.7
55.05507	8.9
56.96564	0.9
57.07082	3.8
65.03937	1.8
67.05502	9.0
69.03410	0.6
69.07066	20.2
71.08620	0.9
77.03904	0.5
79.05491	13.4
81.07053	50.5
83.04996	0.5
83.08616	5.4
91.05473	6.9
93.07040	51.0
95.04960	2.1
95.08602	22.5
95.09216	1.1
97.10155	4.6
105.04531	0.8
105.07026	5.3
107.08588	28.7
109.06535	1.2
109.10150	17.6
111.11724	1.3
119.08590	2.9
121.02850	1.1
121.10138	100.0
122.10477	1.7
123.08065	1.9
123.11715	8.4
131.08568	1.0
133.10161	0.9
135.08041	4.0
135.11673	15.1
135.12646	0.9
137.13240	0.8
145.10085	1.2
147.11673	3.1
149.02341	10.7
149.09628	2.9
149.13249	34.0
159.11717	0.6
161.13246	0.8
163.11188	1.0
163.14803	3.3
175.11092	0.9
177.16426	1.5
187.14786	2.2
190.13437	1.0
205.12146	0.6
205.15875	12.7
205.19490	14.2
205.21310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
52.34532	0.2
56.05030	0.3
57.07067	0.4
58.50434	0.2
65.03928	0.3
65.23895	0.2
70.06564	0.5
71.42380	0.2
72.08143	0.4
79.05480	0.2
81.03410	0.3
81.07051	0.3
84.08127	0.6
90.45650	0.2
91.05476	1.6
95.04955	0.6
95.06106	0.3
96.04490	0.2
98.09695	1.9
104.04967	0.5
105.03371	1.2
105.07002	0.3
117.03725	0.9
119.04949	1.4
132.04431	2.7
133.02838	0.4
135.04382	0.3
136.07547	0.2
137.05980	0.4
144.10172	2.5
147.04425	1.0
149.02307	0.9
150.02676	1.6
150.05484	2.6
160.03827	0.4
171.06642	0.8
175.03865	1.0
178.04979	100.0
179.05365	1.9
180.05481	0.2
188.07068	0.3
191.14200	0.2
198.07686	0.2
206.04474	36.1
206.11717	1.6
206.15266	0.6
206.65363	0.3
207.04730	0.8
207.06624	0.7
225.90942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
65.63068	0.1
67.14738	0.1
70.57742	0.2
91.05470	0.3
114.45253	0.1
118.80854	0.1
119.04921	0.2
131.07280	0.2
132.08096	0.3
133.10095	0.2
145.08871	0.4
146.09644	0.8
147.10423	0.2
148.11166	0.4
153.50256	0.1
160.11209	0.5
161.11983	5.7
162.12798	0.4
175.03867	0.2
188.10680	1.1
190.08618	8.2
191.09398	4.5
193.10936	0.2
204.10179	0.4
206.11755	100.0
207.12108	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
58.99858	1.0
61.25283	0.4
67.99911	0.4
68.25030	0.4
70.63736	0.4
70.64075	0.4
79.00353	0.6
84.04492	0.8
85.06511	0.7
90.95555	0.4
97.01383	11.5
98.22709	0.4
99.02967	1.1
101.00879	1.7
106.01385	1.0
112.02457	3.9
114.04029	4.4
115.02422	31.5
117.03988	5.3
119.01913	2.9
124.02434	11.3
124.03321	0.9
125.02520	0.6
130.03493	12.0
132.05049	2.5
133.03455	11.1
135.05011	3.0
141.05029	0.8
142.03485	56.1
143.03629	1.7
148.04544	6.7
159.06128	2.0
160.04538	100.0
161.04639	2.6
162.03986	1.4
166.03491	1.0
169.04593	2.2
177.05072	1.4
178.05560	0.8
179.06657	2.3
180.05040	21.7
182.06583	1.0
183.06099	0.9
184.04550	8.1
187.05537	0.8
189.04996	1.0
190.03438	0.6
192.59924	0.4
195.04346	0.6
195.06134	9.5
197.07666	1.6
198.06105	27.9
200.07680	2.9
202.05589	1.8
207.06131	30.2
208.04550	12.4
208.06374	1.4
209.04634	0.5
213.07172	6.8
225.07181	38.5
226.05557	17.3
227.05743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48058	0.2
58.01458	0.4
58.99620	0.3
58.99879	0.7
71.00001	0.4
71.84586	0.2
72.12133	0.2
77.00904	0.3
79.00343	0.5
82.01988	0.3
84.04503	0.9
94.01443	0.3
96.02996	0.3
97.01392	11.1
99.02956	0.9
101.00891	1.1
106.00758	0.3
106.01448	0.9
107.02230	0.3
109.02499	0.2
112.02468	3.8
114.04023	4.0
115.02428	28.4
116.02510	0.8
116.05606	0.2
117.03174	0.3
117.03992	5.1
118.04185	0.2
119.01925	1.8
124.02432	11.8
124.30772	0.2
125.02509	0.3
130.03499	10.4
131.01880	0.4
132.05048	2.0
133.03461	10.5
134.03551	0.3
135.05029	3.2
141.05054	1.2
142.03488	55.2
143.03560	1.6
144.05054	0.4
148.04535	6.9
150.06094	0.3
159.06152	1.5
160.04544	100.0
161.04677	2.7
162.03915	0.4
162.05054	0.4
162.06161	0.4
166.03514	0.7
169.04601	1.8
177.05066	1.3
178.05595	0.7
178.60551	0.2
179.06638	2.3
180.05048	20.8
181.05147	0.7
181.08220	0.4
182.06569	1.0
183.06213	0.4
184.04553	6.5
187.05690	1.0
189.05051	1.1
192.18411	0.2
195.06143	9.0
196.06274	0.4
197.07718	2.2
198.06108	30.1
199.06281	0.9
200.07672	2.8
202.05641	2.0
207.06136	34.1
208.04536	11.2
208.06325	1.0
209.04620	0.2
213.07195	7.7
214.07263	0.2
221.07739	0.4
225.07190	38.2
226.05576	15.7
226.07411	1.3
227.05852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03933	0.8
55.01868	1.1
57.82498	0.8
65.03931	10.9
66.70503	0.6
67.05521	0.7
67.67133	0.7
69.03422	1.8
69.07052	1.1
70.45841	0.7
71.04987	0.8
73.22054	0.7
76.03133	1.3
77.03909	1.5
79.05486	2.5
80.06269	1.2
81.07058	1.7
83.04961	0.8
85.02895	0.9
85.06539	0.9
89.03906	4.7
90.04682	1.8
91.05471	100.0
92.05821	2.0
93.03350	0.8
93.07056	2.1
95.04970	3.1
95.08618	1.8
101.03876	1.6
103.05460	2.8
104.02600	2.3
105.03408	1.8
105.07017	4.4
107.04942	3.2
107.08601	1.9
108.05719	1.7
109.06519	1.5
109.10116	1.0
117.03357	1.9
118.04153	6.9
119.04931	96.2
119.08554	2.9
120.05282	1.0
120.08167	0.7
121.02874	2.8
121.06488	1.1
121.10155	1.7
123.04426	1.2
123.08092	1.9
129.03349	2.4
129.04428	1.8
131.04875	1.1
132.02058	7.3
133.02785	1.2
133.10117	2.5
134.03615	0.9
135.04414	3.9
136.05182	2.7
137.09508	0.8
143.08534	1.4
145.02864	2.7
145.10074	1.0
146.03607	7.1
147.04393	75.9
147.11661	4.5
148.04761	1.4
149.02319	11.1
149.06047	0.8
149.09587	1.9
149.52406	0.8
150.03040	1.1
151.07521	1.5
157.03978	9.2
160.01477	1.0
161.05930	1.3
161.09602	1.4
161.13219	3.1
162.03123	1.4
163.03853	2.1
164.04677	5.4
165.05443	1.5
165.12761	1.4
171.11823	0.8
174.03108	4.2
175.03886	90.0
176.04294	1.7
177.01819	1.5
178.02570	0.8
179.07027	8.8
189.05461	0.9
189.09018	1.0
189.12729	3.0
192.04172	16.1
206.15149	0.9
207.06497	45.6
207.10083	4.2
207.13759	4.7
207.17247	0.9
217.58025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02378	0.5
55.01870	0.9
63.02363	0.6
63.74393	0.6
65.03941	8.9
70.61535	1.3
70.61884	0.6
76.03139	1.2
77.03928	1.3
78.04716	0.7
79.05482	1.5
80.06281	1.4
82.21143	0.6
84.08152	1.2
89.03932	4.3
90.04690	2.1
91.05479	100.0
92.05782	1.4
93.07053	0.7
95.04972	0.9
101.03918	2.9
103.05457	1.7
104.02608	2.3
105.03405	0.7
105.06989	0.7
107.04945	1.7
108.05738	1.5
117.03382	2.7
118.04167	6.8
119.04941	95.9
120.05281	1.7
121.02866	1.4
129.03358	2.3
129.04457	2.0
132.02055	9.3
133.02806	1.6
134.03615	1.0
135.04398	4.4
136.05196	3.0
145.02841	2.5
146.03622	3.8
147.04408	76.4
148.04890	1.0
149.02339	11.7
150.03070	1.1
157.02722	0.8
157.03979	10.7
160.01450	0.8
162.03134	1.1
163.03870	1.6
164.04672	4.9
174.03110	3.3
175.03903	80.5
176.04277	1.7
177.01845	2.1
179.07030	7.3
191.03383	0.6
192.04175	12.5
196.13237	0.6
206.11749	1.8
207.06506	31.4
207.12044	2.2
207.13879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
52.36862	1.6
55.01870	14.0
55.05514	6.5
57.03440	8.9
65.03954	1.9
67.05482	7.4
69.03427	3.6
69.07068	4.8
69.38569	5.3
69.38979	2.7
79.05479	11.0
81.03413	14.6
81.07053	8.1
83.04976	7.7
85.06548	3.1
91.05480	36.4
93.07028	14.6
95.04967	9.6
95.08614	7.8
97.06545	2.3
99.04469	3.0
103.05495	3.2
105.07024	47.8
105.07740	2.5
107.04977	5.4
107.08605	10.6
109.06514	12.2
109.10179	4.7
115.05462	4.1
117.07003	11.7
119.04946	5.0
119.08574	74.1
121.06504	16.5
121.10124	4.9
123.04443	2.9
123.08060	11.5
123.11745	2.3
128.06203	15.9
129.07011	29.9
131.05011	2.1
131.08554	7.1
133.06488	13.5
133.10123	32.7
135.08049	6.5
135.11690	3.5
137.06012	3.8
137.09602	12.3
142.07753	1.6
143.08556	31.4
145.06483	22.4
145.10130	2.7
146.07265	3.0
147.04416	2.0
147.08043	100.0
147.11659	22.1
149.06053	2.0
149.09622	4.6
150.06754	4.2
151.07533	13.1
151.11183	7.1
155.06018	2.5
156.09346	2.8
159.08072	3.2
161.09613	62.7
161.13235	14.4
163.07588	5.4
163.11224	5.9
165.09142	6.8
165.12796	4.4
171.08044	13.0
171.11743	5.3
173.61186	1.8
174.10423	2.7
179.08545	2.5
179.10655	5.8
189.09091	31.1
189.12732	29.1
191.08588	4.0
192.09334	16.1
193.10129	2.5
207.10127	21.1
207.11734	25.5
207.13838	34.7
207.17247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
50.84594	1.1
53.03941	2.5
55.01868	16.5
55.05502	8.4
57.03433	10.4
57.07072	2.2
59.05008	1.5
62.71133	1.1
63.26321	0.9
65.03945	1.1
65.51547	1.0
67.05497	8.6
68.93767	1.0
69.03426	3.2
69.07059	5.0
71.04981	2.1
72.58356	1.1
76.73341	1.2
79.05489	11.1
81.03413	13.5
81.07049	12.1
83.04975	11.4
85.02911	3.8
91.04939	2.2
91.05478	32.2
93.07039	15.4
95.04958	7.9
95.08606	8.5
97.06529	4.7
99.04456	5.8
103.05461	3.6
105.07021	51.9
107.04975	4.3
107.08594	11.4
109.06518	12.7
109.10137	4.4
111.08042	1.3
114.34486	1.1
115.05464	4.7
116.06284	1.1
116.07078	1.2
117.07012	9.6
119.04939	6.6
119.08576	79.9
120.08935	1.8
121.06507	18.3
121.10133	4.6
123.04391	3.3
123.08056	13.3
123.11715	3.4
125.28794	1.2
128.06209	19.6
129.07002	23.7
130.07774	1.1
131.04897	2.3
131.08543	8.2
132.05708	1.8
132.09367	1.7
133.06494	15.6
133.10123	31.1
135.08037	7.7
135.11723	3.2
137.05943	5.2
137.09604	19.5
137.13255	1.3
139.07587	1.5
141.07001	1.7
143.08556	36.1
143.09630	2.4
145.06480	23.9
145.10112	3.7
146.07243	2.2
147.08040	100.0
147.11678	32.6
148.08450	2.2
149.05978	1.5
149.09628	6.0
150.06757	5.9
151.07533	13.6
151.11176	11.9
155.06023	2.0
156.09343	5.7
159.08061	7.8
160.08812	1.3
161.09608	62.8
161.13228	22.5
163.07538	4.0
163.11172	4.9
164.08350	3.4
165.06995	1.3
165.09129	7.5
165.12715	5.5
171.08049	11.6
171.11656	6.1
172.33498	1.1
174.10405	6.6
178.07808	4.2
179.08583	5.6
179.10631	4.0
179.14291	2.7
188.67546	1.2
189.09108	34.7
189.12727	65.4
190.13145	2.0
191.08560	8.0
192.09335	32.0
193.10059	1.9
207.08005	6.1
207.10094	23.0
207.11707	46.1
207.13815	67.5
208.08810	1.7
208.12268	2.8
222.25125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02374	1.0
53.03938	3.9
55.01868	1.5
55.05507	8.8
57.03413	0.7
57.07072	0.8
59.04987	0.6
65.03930	1.9
67.05499	27.0
68.66811	0.6
69.07054	6.9
69.31573	2.9
70.61707	0.6
71.04986	2.7
73.06556	1.5
76.77161	0.6
77.03911	3.5
79.05486	48.6
80.05832	0.6
81.03425	1.1
81.07050	22.4
83.04992	3.4
83.08614	3.4
85.02896	0.6
85.06530	2.5
85.91555	0.6
87.04436	0.6
91.04884	0.8
91.05472	59.3
93.07035	100.0
94.07372	1.5
95.04963	22.3
95.08591	8.6
96.90917	0.5
97.06512	1.7
97.10156	1.5
98.23407	1.5
99.04443	0.8
103.05450	1.1
105.04514	6.8
105.07018	34.4
107.04922	1.2
107.08584	12.6
109.06499	5.4
109.10148	1.0
115.05411	0.7
117.07008	5.8
119.04931	3.4
119.08568	19.8
121.06499	2.4
121.10113	2.8
123.08060	3.6
127.07550	0.9
128.06213	1.3
129.06993	10.6
130.07784	0.9
131.08546	1.7
133.06448	0.7
133.10118	10.9
134.05789	0.7
137.09605	0.9
143.08556	5.8
145.10100	8.9
147.04410	2.7
147.08026	1.8
147.11668	57.7
148.11987	1.0
149.09605	0.9
156.09341	0.8
159.11548	0.7
161.09621	4.7
161.13249	30.5
165.12697	0.6
168.04883	0.6
171.11674	21.9
175.03889	2.2
179.14207	0.8
189.11072	0.4
189.12721	10.8
207.06500	1.8
207.11775	1.4
207.13786	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05497	4.3
57.07062	2.7
67.05508	8.0
69.03427	5.4
69.07067	3.1
70.27972	0.9
70.93011	1.0
71.04980	1.7
79.05495	9.1
81.07053	20.1
83.04970	2.0
85.02900	100.0
85.06525	1.8
91.05466	12.9
93.07042	11.2
95.04942	4.2
95.08610	9.1
103.05452	1.6
105.07024	30.5
107.04929	3.4
107.08586	11.9
109.06499	6.5
109.10149	17.0
111.04422	1.5
115.05440	1.0
115.35817	1.0
117.07013	3.3
119.04937	1.9
119.08575	28.0
121.06516	1.8
121.10143	21.1
123.04413	1.0
123.08065	7.4
123.11703	57.7
124.12018	1.1
125.05982	10.9
128.06210	2.0
129.06981	2.6
130.07767	3.9
131.08582	10.3
133.06470	4.1
133.07454	1.1
133.10107	3.9
137.09598	1.6
141.05440	2.0
141.06949	2.9
143.08537	4.1
145.06473	1.7
145.10120	8.2
146.10881	4.0
147.04390	1.9
147.08035	10.8
147.11674	31.9
148.11885	1.0
149.09610	17.7
151.07567	8.2
156.09325	10.5
159.08063	2.4
160.08846	2.3
161.09630	2.9
161.13248	4.7
163.11139	7.5
165.12732	3.1
171.11630	3.9
173.09590	1.2
174.10394	7.1
186.55322	1.1
189.12743	28.4
207.06516	2.6
207.13785	53.2
208.14005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
52.09164	2.1
55.01841	2.2
55.05503	11.4
58.56743	2.2
65.03931	3.9
67.05495	6.2
69.03413	2.8
69.07066	6.9
71.43473	2.4
73.62904	2.0
77.03360	2.1
79.05483	7.5
81.07038	8.4
83.04951	2.8
85.02895	3.2
91.05486	32.7
93.07030	9.0
93.37417	2.2
95.04951	4.1
95.08600	15.3
96.18603	2.1
105.07021	32.7
107.08604	10.5
109.06523	4.2
117.06987	2.3
119.04941	26.6
119.08577	46.3
121.06478	3.4
121.10126	16.2
123.08086	11.0
123.11651	3.0
125.50043	2.0
129.06970	3.4
131.08565	4.8
132.02074	2.7
132.74734	2.2
133.06503	11.5
133.07407	2.3
133.10112	28.5
135.08020	7.1
135.11697	6.7
137.09599	7.1
143.08563	4.2
145.10085	2.5
147.04396	23.7
147.08023	4.2
147.11678	43.1
149.09602	24.3
151.07495	3.4
156.09248	5.3
157.03865	3.8
159.07974	2.5
161.09619	5.3
161.13257	100.0
165.12787	6.7
171.11661	7.4
174.10339	5.5
175.03899	22.6
179.06978	5.0
189.12738	63.1
192.04080	3.8
206.70834	3.1
207.06418	14.5
207.10092	2.8
207.13789	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05513	9.2
57.07069	5.8
58.13684	1.5
59.04985	3.2
65.03922	2.6
67.05504	34.3
69.03426	7.2
69.07060	5.2
70.93587	2.2
71.05002	4.6
71.09035	2.1
78.09455	1.4
79.05487	12.3
81.07053	13.6
83.04978	7.4
85.02898	28.7
85.06551	9.8
87.00714	2.9
91.05475	40.0
93.07054	20.5
95.04966	8.5
95.08608	100.0
96.08968	1.7
96.42774	1.5
97.06559	2.3
103.05473	2.4
104.03340	2.9
105.07029	29.9
107.04953	3.6
107.08599	24.9
109.06496	7.6
109.10179	10.3
111.04460	2.0
111.08065	2.8
113.06001	5.2
115.05447	2.1
117.07008	5.3
118.04166	2.7
119.04942	25.7
119.08573	46.2
121.06495	6.5
121.10147	28.7
123.08070	66.9
123.11703	28.6
125.05993	5.2
129.07013	2.1
131.08575	8.8
132.02008	3.0
133.06474	2.6
133.10153	8.1
135.08075	3.6
135.11711	4.5
137.09607	7.3
137.13263	3.6
141.06978	2.4
143.08543	3.5
145.10117	8.1
146.03670	2.4
146.10884	2.2
147.04410	19.9
147.08054	11.1
147.11685	34.6
149.02315	3.7
149.09616	69.7
151.07556	5.3
151.14816	5.6
156.09344	7.3
157.03972	2.1
159.08105	3.0
159.11630	2.9
161.09581	5.4
161.13258	22.5
163.11156	5.5
164.04784	2.4
165.09123	2.2
165.12735	12.7
171.11655	5.1
174.10417	9.3
175.03909	25.6
179.07062	1.6
179.14310	4.6
189.12743	35.0
192.04204	5.2
207.06470	14.0
207.13811	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1697
Annotation	2-Dehydrococcinelline
Peak:m/z	Relative Intensity
53.92413	0.6
55.01869	18.2
55.05503	6.2
57.03433	0.9
57.07074	0.8
67.05501	2.4
68.05028	20.5
69.03419	2.9
69.05809	5.0
69.07065	25.4
69.07445	1.3
70.06235	1.2
70.06590	16.4
71.42862	0.6
71.64246	0.7
79.05486	2.0
81.07053	3.3
82.06550	0.9
83.04980	1.3
83.08569	0.9
84.17333	0.6
89.02819	0.6
91.05444	0.7
93.07030	3.1
95.08612	3.5
96.04489	87.0
96.08122	0.8
97.04776	0.7
97.06512	1.7
97.10166	1.1
106.06544	5.9
108.08114	3.1
108.08868	0.6
109.10167	1.2
111.11713	2.9
121.06474	0.9
124.07584	26.9
125.08334	1.4
133.08838	1.3
138.09076	1.6
139.11200	4.9
152.10690	2.3
152.14310	3.0
158.05951	1.0
162.13730	0.6
165.07042	0.9
179.08531	1.3
180.17430	2.0
185.70169	0.7
190.08624	0.9
190.15881	1.5
191.14322	0.7
193.09938	0.9
194.10913	1.0
200.58488	0.7
208.16963	100.0
209.09628	4.4
209.13321	1.2
209.15347	1.5
209.17267	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02383	0.6
53.03959	2.1
55.01871	3.5
55.05524	0.6
61.51371	0.5
63.12642	0.4
65.85373	0.4
65.86032	0.4
67.05512	0.7
69.03432	0.7
69.43846	2.2
71.04993	0.6
72.87389	0.4
77.03931	2.1
79.05492	4.8
81.03413	1.1
81.07066	1.0
83.04975	1.8
90.03477	0.5
91.05474	17.5
91.35806	0.4
93.07041	11.9
95.04964	9.4
103.05470	8.3
105.04514	4.0
105.07024	1.0
105.36837	0.5
107.04947	2.4
107.08578	1.9
109.05169	0.4
109.06552	0.6
109.10145	0.7
119.04948	0.9
121.06499	100.0
121.10084	1.2
122.06818	1.9
123.08095	0.5
124.41398	0.5
125.06023	0.5
126.00202	0.8
126.01061	9.1
131.04901	5.1
131.08542	2.2
134.03624	0.9
135.08073	0.6
145.10155	0.9
147.04384	3.4
149.05969	82.9
149.09525	2.5
150.06290	2.0
163.07500	0.6
163.11139	1.1
167.07004	1.3
167.14284	0.9
191.06929	1.2
191.10638	0.9
206.67366	0.5
209.05919	5.2
209.08034	42.1
209.11456	1.4
209.15242	1.6
210.08357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03936	1.9
54.49729	0.7
55.01860	0.8
55.05514	0.7
67.05496	0.8
69.84646	0.7
77.03915	3.4
79.05499	4.9
81.03424	3.4
81.07045	1.2
91.05477	21.0
93.07042	44.6
94.07385	0.7
95.04970	11.0
95.08609	1.1
97.06476	1.0
98.22607	1.6
103.05461	3.0
105.04512	3.8
105.07027	1.2
107.04958	3.7
107.08595	1.5
109.06458	0.9
117.06975	0.7
121.06500	82.8
121.10094	1.1
122.06832	1.2
126.01062	1.6
131.04938	1.9
131.08562	1.6
133.60735	0.7
134.03601	2.3
139.07541	2.1
145.10088	0.9
149.05972	100.0
149.09619	2.0
150.06310	2.5
163.11101	0.7
167.07028	19.1
173.09598	0.7
187.73691	0.7
191.10657	1.7
209.05847	2.3
209.11745	1.3
209.15361	1.4
217.06245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
55.01857	3.0
55.05499	8.6
65.03944	2.4
67.05502	18.0
69.03424	20.4
69.07067	3.7
69.61904	1.1
70.62113	1.2
70.77946	1.1
71.04988	5.1
74.51664	1.2
79.05491	9.3
81.07050	15.3
83.04985	6.7
91.05464	15.9
93.07034	29.4
93.07602	1.9
95.04962	38.9
95.08603	5.4
97.06523	6.8
103.05453	2.2
105.07020	43.4
107.04994	2.6
107.07924	2.3
107.08587	31.0
107.09264	2.5
109.06515	13.6
109.10208	2.3
111.04410	2.0
115.05457	2.3
116.06210	1.5
117.07003	12.1
118.06489	1.2
119.06039	1.5
119.08563	11.1
121.06503	15.8
121.10139	19.5
123.08123	1.3
123.11695	1.5
125.09570	1.5
126.01025	1.5
129.06947	2.0
130.07791	8.8
131.04906	1.5
131.08537	6.4
133.10117	5.8
135.08049	4.8
135.11676	16.6
143.08572	4.3
145.10104	87.0
147.08017	1.9
147.11684	11.2
149.05989	10.5
149.09610	10.2
149.13261	2.8
151.11174	6.6
153.09117	2.6
155.08566	3.8
158.07251	5.6
163.11168	100.0
165.12753	3.9
167.10823	1.3
167.14282	1.4
173.09599	24.8
173.13231	1.7
191.10651	39.9
191.14333	3.6
209.05899	16.3
209.09521	3.8
209.11732	14.6
209.15399	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	5.6
55.05517	5.8
57.03427	1.8
61.81228	0.8
67.05167	1.1
67.05502	17.5
69.03432	2.5
69.07069	9.3
69.65606	1.1
71.04584	1.3
71.04987	18.2
71.30937	0.9
76.48473	1.0
77.01390	0.9
77.03928	2.7
79.05487	44.8
81.03403	1.8
81.07053	7.2
83.04974	10.7
85.06532	4.9
87.04462	1.3
91.04947	1.7
91.05479	27.9
93.07039	39.8
95.04968	14.4
95.08601	2.3
95.58294	1.0
97.02876	1.1
97.06538	7.3
98.23456	3.7
99.04430	1.0
103.05466	2.1
105.04521	1.2
105.07027	22.1
107.04944	32.8
107.08586	39.7
109.06516	7.4
111.04420	7.3
115.05397	1.3
117.06994	8.3
119.08567	14.0
121.06493	34.0
121.10137	25.2
123.04421	3.2
123.08061	1.9
125.05958	11.1
126.01050	1.7
129.07010	6.4
130.07776	2.8
131.08557	75.2
132.08919	1.5
133.06554	1.3
133.10103	1.3
135.04439	2.2
135.08047	4.7
135.11688	6.6
137.05972	2.6
137.09647	1.0
137.27647	1.2
139.07581	3.0
141.05452	2.3
145.06454	2.5
145.10117	41.5
147.08058	9.2
147.11723	2.2
149.05971	21.1
149.09604	100.0
150.09946	2.7
153.05473	7.0
155.07079	1.3
155.08563	1.3
163.07524	7.6
163.09782	2.0
163.11165	38.2
165.09111	16.3
167.07028	6.2
167.10664	14.6
173.09610	11.4
181.12178	1.7
191.10660	52.5
202.54265	1.1
209.11719	66.5
210.11931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.11733	1.1
52.11972	1.0
53.03958	1.8
55.01867	5.1
55.05499	3.0
58.96094	1.1
63.94136	1.1
65.03935	1.2
67.05501	18.6
69.03413	2.9
69.07062	8.3
69.19339	6.7
71.04987	19.9
77.03912	2.4
79.05484	43.3
79.33113	1.0
81.03391	1.5
81.07054	9.4
82.07909	1.0
83.04964	10.4
85.06524	4.1
86.11913	1.1
87.04491	1.6
91.05465	20.8
93.07034	29.7
95.04946	14.4
95.08601	1.7
97.06511	6.9
98.23462	2.7
103.05441	1.7
105.07021	22.0
107.04249	2.4
107.04945	33.3
107.08582	43.5
109.02914	1.1
109.06506	3.7
111.04429	7.7
111.99380	1.2
116.06213	2.7
117.07015	9.1
119.08563	13.9
121.06498	24.1
121.10136	28.2
123.04427	3.6
123.08051	3.4
125.05984	13.4
125.09637	1.5
127.71265	1.2
129.06982	7.3
130.07751	1.2
131.08554	78.9
135.04356	1.8
135.08020	4.5
135.11688	7.5
137.09639	1.5
141.05460	1.8
145.06480	3.1
145.10110	41.0
147.08046	7.0
147.11728	1.1
149.05949	2.5
149.09602	100.0
153.05469	5.6
155.08511	1.8
163.07541	6.5
163.11174	31.6
165.09103	16.3
167.07028	3.6
167.10657	14.4
173.09608	10.1
191.10645	52.5
192.10954	1.5
209.11710	67.2
222.35272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01880	0.8
55.05510	2.8
57.03435	39.6
57.07050	1.1
58.72071	0.9
59.04987	1.5
65.98165	0.8
67.05164	1.4
67.05505	22.7
69.07060	4.8
69.74411	0.8
71.04978	3.3
71.18859	1.0
71.72056	0.8
79.05488	4.0
81.07058	10.2
83.04971	1.5
85.06554	2.0
86.81364	0.9
88.29182	0.8
91.05474	2.6
91.41101	0.8
93.07050	8.4
95.04958	1.2
95.08601	29.8
97.06554	1.1
99.04401	1.0
105.07029	2.4
107.08598	14.0
109.06510	1.5
109.10152	100.0
110.10453	1.2
111.08083	1.0
119.08576	8.4
121.10143	8.0
123.11678	5.4
126.01038	2.2
131.08589	3.5
133.10097	4.2
135.11693	13.9
137.09645	7.4
145.10147	5.2
147.11670	1.9
149.09599	1.7
149.13260	2.8
153.12766	2.9
163.11150	1.0
163.14839	8.0
165.12788	4.3
167.14314	18.1
173.13239	20.7
179.08592	1.4
181.12404	1.0
191.14302	35.0
195.11751	0.9
209.05931	4.3
209.13501	3.8
209.15350	86.7
210.15640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.06267	1.1
53.03953	2.1
55.01870	4.1
55.05509	86.4
57.03424	2.5
57.07075	3.8
59.04998	4.4
67.05500	13.9
69.03426	7.7
69.07060	6.4
69.46807	4.8
71.04992	5.5
72.06795	1.2
79.05490	7.6
81.07052	17.8
83.04977	100.0
83.08616	40.9
84.51462	1.4
85.06528	3.0
91.05457	8.3
93.07046	12.7
95.04964	20.0
95.08611	9.4
96.06444	1.1
97.06533	14.5
97.10159	7.2
98.23381	2.7
99.04466	2.3
99.08102	1.2
105.07021	8.7
107.08584	23.3
109.06513	40.3
109.07216	2.4
109.10152	27.8
111.04443	2.0
111.08065	12.5
112.08823	1.4
113.09623	2.0
114.89552	1.1
119.08578	3.7
121.06505	8.0
121.10120	13.6
123.08081	5.0
123.11699	15.1
125.09620	15.3
126.01060	12.0
126.63970	1.6
131.08582	4.9
133.10143	12.0
135.08051	5.3
139.11185	1.4
145.10127	2.4
146.96463	1.4
149.05960	6.7
149.09619	5.3
149.13258	9.0
151.11174	36.1
153.09111	12.2
163.14803	2.1
167.14311	74.3
173.13275	5.1
183.43185	1.3
191.14340	5.8
197.63232	1.4
209.04439	1.2
209.05963	12.3
209.15344	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.29516	1.1
53.03923	3.0
55.01867	4.4
55.05507	70.9
57.03423	2.3
57.07059	2.0
59.04992	2.7
59.80697	1.2
63.37292	1.3
65.56871	1.2
66.40251	1.3
67.05490	11.2
69.03416	8.5
69.07052	7.5
71.04992	6.3
79.05480	10.1
81.07050	17.0
83.04974	100.0
83.08613	34.1
85.06539	4.7
91.05485	6.2
93.07046	13.1
95.04958	46.2
95.08594	10.9
97.06519	14.7
97.10139	8.0
98.22673	2.8
99.04454	9.6
99.08102	2.3
103.05469	1.4
105.07024	8.5
106.04224	1.4
107.04887	1.3
107.08590	20.6
109.06509	30.4
109.10149	27.8
111.04458	1.6
111.08064	10.3
113.09647	2.0
117.07039	2.2
119.08564	3.0
121.06479	3.1
121.10147	15.1
123.08042	3.7
123.11695	10.9
125.06026	1.6
125.09612	15.2
126.01073	3.7
131.08545	9.5
133.10117	15.0
135.08032	4.8
135.11693	3.6
137.09631	1.8
139.11247	1.3
145.10121	4.5
147.07988	1.6
149.05966	2.8
149.09612	4.5
149.13226	9.5
151.10051	2.2
151.11182	37.1
153.09077	14.0
163.07550	2.0
163.11157	3.3
163.14806	2.2
167.14305	71.4
173.07085	4.1
173.13260	5.8
191.08211	9.3
191.10573	2.0
191.14297	5.6
209.05997	7.2
209.09613	2.7
209.11662	4.6
209.15346	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
53.03952	1.1
55.01869	1.0
55.05505	2.1
55.57437	0.7
57.03433	44.1
57.07063	0.9
59.04995	2.4
60.98409	0.7
67.05501	24.6
69.07073	4.9
69.16023	2.0
69.16435	3.2
71.04983	3.5
79.05488	2.9
81.07047	10.6
83.04982	2.0
83.08598	1.1
85.06528	1.2
91.05481	2.9
92.47532	0.8
93.07047	7.7
95.04952	1.3
95.08604	28.2
97.06512	1.7
98.22688	1.6
99.08072	1.1
99.68681	0.7
105.07015	2.2
106.04137	0.7
107.08589	16.4
109.06506	1.7
109.10148	100.0
110.10486	1.2
111.08083	1.0
119.08573	8.7
121.06492	1.5
121.10136	7.6
122.07256	0.8
123.08069	2.2
123.11695	6.8
125.09612	0.8
125.13192	1.3
131.08572	2.5
133.10109	4.2
135.08089	1.0
135.11687	16.1
137.09615	8.2
145.10118	7.3
147.11702	1.9
148.76598	0.7
149.09645	4.2
149.13249	2.9
151.11177	1.6
152.58740	0.8
153.09120	1.2
153.12718	3.1
158.10806	1.2
163.11096	1.3
163.14836	8.2
165.06963	2.1
165.12746	5.3
167.14311	23.6
173.13254	21.3
176.11862	0.9
179.08568	1.7
191.14296	35.1
194.10892	0.8
209.05884	3.0
209.09573	3.0
209.13586	3.7
209.15343	99.1
210.15726	2.5
224.32156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	1.6
57.03433	44.9
57.07072	1.5
59.04996	1.1
64.69193	0.6
66.00293	0.5
67.05500	23.5
69.07065	5.0
69.31358	3.5
71.04995	2.2
72.97803	0.5
79.05487	2.4
80.70067	0.6
81.07053	9.7
82.28770	0.5
82.85197	0.6
83.08636	1.4
85.06551	1.6
91.05466	1.6
93.07037	5.4
95.08599	28.4
97.06575	0.6
99.08089	0.7
105.07049	2.2
107.08588	13.8
109.06507	0.9
109.10149	100.0
110.10504	1.2
111.11729	0.6
113.09662	0.9
119.08572	8.6
121.10149	8.2
123.08061	1.0
123.11710	6.7
125.09599	1.4
125.13268	0.9
125.20531	0.7
131.08575	3.0
133.10112	4.1
135.11690	15.6
137.09604	8.8
145.10132	4.3
147.11691	1.6
149.09587	1.7
149.13246	3.7
151.11179	0.9
153.09076	0.7
153.12712	3.2
158.10915	1.1
163.14819	7.3
165.12735	3.9
167.14316	22.4
173.13249	23.1
175.27681	0.7
176.11990	0.7
179.08482	0.8
181.15892	1.3
191.14294	36.0
192.14645	1.1
194.10950	0.8
209.15353	83.7
210.15753	1.7
228.47656	0.7
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	7,8-Dihydro-alpha-ionone
Peak:m/z	Relative Intensity
51.96237	0.6
55.05503	2.3
57.03432	43.5
57.10323	0.7
58.70029	0.6
59.04996	1.7
67.05501	25.5
69.07065	4.4
71.04987	2.3
79.05492	2.1
81.07052	10.5
83.08588	1.2
84.74973	0.6
85.06534	1.2
91.05459	1.6
93.07039	4.3
94.42252	0.6
95.08604	26.9
105.07029	2.4
107.08587	14.8
109.10148	100.0
110.10499	1.9
117.07034	0.8
119.08578	8.8
121.10117	8.0
123.11696	7.4
125.09633	1.0
125.13233	1.5
131.08568	2.7
133.10147	3.3
135.08110	0.7
135.11690	15.7
137.09595	7.1
145.10110	4.7
147.11705	0.8
149.09602	3.0
149.13258	2.7
151.11195	0.7
153.12720	2.8
158.10938	1.2
163.11148	0.8
163.14807	8.3
165.07037	0.7
165.12749	4.4
167.14311	20.6
173.13251	19.8
176.12009	1.0
179.08524	0.9
181.15857	0.7
191.14294	31.0
195.77872	0.7
209.09636	1.9
209.15347	77.0
210.15694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.46568	1.0
51.86286	1.1
55.05501	4.4
57.03143	2.0
57.03431	40.8
57.07062	3.2
59.04995	2.1
65.03934	1.0
67.05500	23.8
69.07050	5.3
69.56187	4.0
70.45866	1.1
71.04982	2.3
77.03928	1.3
79.05068	1.5
79.05473	7.0
81.07053	20.2
83.04971	2.8
83.08603	1.4
85.06535	2.1
91.05457	4.0
93.07035	7.7
95.06119	1.3
95.08600	32.4
97.06517	2.3
105.06979	3.7
107.08584	13.3
109.06489	2.8
109.10149	100.0
110.10500	1.6
111.08065	1.2
113.09612	1.1
117.07018	1.3
119.08562	8.9
121.10126	7.9
123.11712	5.5
125.06030	1.4
125.09631	1.3
131.08540	5.2
133.10129	3.7
133.45479	1.1
134.18895	1.2
135.11678	15.5
137.09589	9.4
144.81956	1.2
145.10077	3.2
147.11655	2.0
149.09560	3.8
149.13191	3.7
151.11234	1.2
153.12746	2.2
158.10915	1.4
163.11162	2.2
163.14812	8.7
165.07051	2.1
165.12721	4.3
167.14316	21.1
173.13261	23.8
179.08563	3.3
191.14304	33.7
194.10889	3.4
194.73825	1.3
209.05884	4.0
209.09760	2.2
209.13385	5.3
209.15341	89.0
210.15678	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	2.6
55.01862	2.5
55.05508	61.1
57.03426	2.0
57.07074	2.5
59.04990	3.5
67.05500	7.0
69.03426	5.9
69.07067	8.4
69.26682	8.3
71.05004	2.8
79.05476	6.3
81.07048	15.5
83.04976	100.0
83.08614	28.4
85.06539	2.9
91.05487	6.8
93.07031	11.8
95.04952	14.9
95.08595	7.9
97.06515	15.3
97.10168	5.9
99.04427	1.7
99.08102	1.9
105.07011	7.5
106.04179	2.1
107.08580	21.3
109.06506	41.1
109.10149	19.9
111.04428	2.0
111.08068	14.0
111.41023	1.3
113.09655	1.6
119.08547	3.1
121.06490	2.6
121.10141	25.2
123.08065	3.7
123.11681	8.5
125.05975	2.0
125.09604	10.2
131.08589	2.0
133.10135	11.1
135.08051	3.6
135.11664	1.7
145.10124	1.3
147.11775	1.8
149.05966	2.0
149.09616	2.9
149.13234	12.2
149.14357	1.8
151.11179	23.3
153.09111	16.3
163.14835	2.9
167.14305	59.1
173.13246	3.3
191.14301	4.5
201.54738	1.2
209.15349	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.42731	0.8
55.01866	2.5
55.05511	11.1
57.03438	2.3
57.07076	5.8
57.24844	0.8
59.04995	1.4
60.42602	0.9
65.03967	1.1
67.05506	10.3
67.36246	0.8
69.03429	4.7
69.07066	7.0
70.06631	1.1
71.04983	5.5
74.47322	1.0
79.05491	10.5
81.07057	15.8
83.04978	17.1
83.08611	6.1
85.06523	1.3
91.05481	8.2
93.07039	14.8
95.04961	10.9
95.08610	15.4
97.06534	3.3
97.10182	1.7
98.57695	1.0
99.04451	1.8
99.08076	1.7
99.93835	0.9
103.05456	1.0
105.07030	8.4
106.04140	1.8
107.04961	2.6
107.08591	18.1
109.06516	100.0
109.10159	14.9
111.08075	3.8
113.51260	0.8
115.05421	1.4
117.06992	3.7
117.12722	0.9
119.08565	2.9
121.06511	4.8
121.10143	13.5
123.08059	11.9
123.11742	2.9
125.05981	1.0
125.09605	4.6
129.06999	1.1
131.08556	6.0
133.10143	6.8
135.08044	26.4
135.11667	6.5
137.09610	2.3
139.07608	1.0
143.08575	1.8
145.02692	1.0
145.10097	10.8
147.11676	3.0
149.05997	3.9
149.09624	7.4
149.13234	5.0
150.10329	1.4
151.11179	19.6
153.09105	5.7
158.10904	2.3
161.09637	1.5
163.11154	9.7
163.14813	2.4
165.12743	3.3
167.14314	7.0
173.09601	1.8
173.13237	7.8
176.41304	0.8
179.03209	1.0
179.08556	1.8
191.10690	3.7
191.14296	23.3
209.05913	12.9
209.09784	1.4
209.11479	1.4
209.13332	2.8
209.15298	16.6
209.17165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.1
55.01865	6.1
55.05260	1.9
55.05507	27.1
57.03431	3.0
57.07061	2.2
57.36968	1.3
59.04991	2.1
59.73451	1.3
65.03938	2.2
67.05495	20.0
69.03414	6.5
69.07064	11.9
69.47554	6.6
71.04984	22.4
77.03909	1.8
79.05045	2.6
79.05488	44.8
81.03397	3.5
81.07053	15.1
83.04973	37.7
83.08606	9.8
85.02899	1.8
85.06524	5.5
91.04936	2.5
91.05467	30.7
93.07040	47.9
95.04959	80.9
95.08595	5.2
97.06520	9.6
97.10168	2.2
99.04451	14.0
99.08064	2.1
103.05441	2.0
105.04510	2.5
105.07019	26.4
107.04942	28.5
107.07843	2.5
107.08584	49.4
109.06508	10.3
109.10158	7.8
111.04455	7.3
111.08052	4.0
116.06212	2.1
117.06989	8.0
119.08554	13.3
121.06495	41.4
121.10131	32.5
123.04427	4.4
123.08072	4.9
123.11708	4.8
125.05981	9.1
125.09608	5.2
126.01046	14.3
129.06999	7.3
130.07748	2.8
131.04868	1.8
131.08556	76.8
133.06490	1.5
133.10129	5.2
135.04431	3.2
135.08035	4.8
135.11705	8.9
137.05939	2.3
137.09570	1.7
139.07524	3.1
143.08577	1.8
145.06451	4.0
145.10104	42.7
147.08066	7.8
147.11627	3.0
149.05984	32.6
149.09602	100.0
150.10065	1.8
151.11165	12.6
153.05472	7.4
153.09109	18.5
155.08540	1.7
163.07506	6.9
163.11176	38.0
163.14792	1.7
164.01680	2.2
165.09094	18.5
167.07079	9.1
167.10655	16.9
167.14307	24.6
173.09561	11.6
173.13188	1.5
179.10582	1.4
191.10645	60.0
191.14311	4.5
192.10965	1.6
209.05951	11.0
209.11693	73.4
209.15242	19.8
210.02129	1.2
210.11961	1.2
210.77730	1.4
214.94014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01845	0.3
55.05509	1.1
55.96295	0.2
57.03432	2.4
57.07057	0.8
59.04997	0.6
67.05503	1.6
67.84728	0.2
69.03423	0.4
69.04551	0.3
69.07066	1.4
70.41592	0.5
71.04668	0.3
71.04990	2.2
79.05489	1.6
81.03419	0.4
81.07055	3.2
83.04965	0.8
83.08599	0.9
84.05604	0.7
85.06548	0.6
91.05470	1.2
93.07040	2.6
95.04961	17.8
95.08598	1.5
97.06524	3.1
99.04451	3.7
99.08066	0.6
103.05448	0.3
105.04502	0.4
105.07030	1.7
106.04164	0.4
107.08582	3.2
109.06512	13.1
109.10152	2.7
111.08072	2.3
119.08571	1.3
121.06455	0.5
121.10140	2.5
123.08054	2.5
125.05966	0.4
125.09620	0.9
126.01059	0.5
131.08536	1.1
132.06779	0.3
133.06339	0.3
133.10123	3.7
135.08046	2.1
135.11685	0.8
139.11148	0.5
140.02667	0.4
141.02138	1.0
144.02110	0.3
145.10097	0.9
146.07054	0.3
147.06621	0.4
147.11679	0.5
149.05945	0.5
149.07018	0.3
149.09590	0.6
149.13268	1.1
151.11157	1.4
153.09105	11.8
158.10927	0.8
163.11192	0.4
163.14783	0.6
165.12741	1.3
166.01657	1.0
167.03758	1.4
173.08212	4.3
173.09604	0.5
173.13242	2.3
174.09004	1.1
175.09789	7.9
175.11319	0.4
177.05472	0.2
180.01958	0.6
180.03343	0.3
181.02773	0.7
187.08156	0.2
191.09235	1.7
191.14293	8.8
201.73837	0.2
207.04321	0.8
208.05127	2.1
209.05875	100.0
209.15344	7.4
210.06215	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01861	2.4
55.05511	9.1
57.03193	1.2
57.03438	17.9
57.07066	4.1
59.04980	3.7
60.31065	1.4
64.19495	1.3
64.93603	1.3
65.03928	1.7
67.05513	8.6
69.03406	3.4
69.07076	8.8
70.79389	2.3
71.04987	12.3
79.05502	10.8
81.07053	19.5
83.04974	7.8
83.08620	7.3
85.02831	1.1
85.06527	3.4
91.05483	9.6
92.30935	1.1
92.71062	1.4
93.07045	16.2
95.04964	100.0
95.08607	12.6
96.05299	1.7
96.18205	1.4
97.06524	22.7
99.04444	19.0
99.08073	3.1
103.05469	2.5
105.07026	9.7
105.39760	1.3
106.04152	3.1
107.04909	1.6
107.08587	26.1
109.06512	82.0
109.10160	18.7
110.06792	1.6
111.08073	16.7
113.09640	1.3
114.44486	1.2
117.07016	1.5
119.08578	6.3
121.06480	4.9
121.10133	16.5
123.08054	23.3
123.10362	1.1
123.11678	3.7
125.06001	2.3
125.09617	6.2
126.00997	1.7
131.08548	8.6
133.09181	1.9
133.10120	26.6
135.08025	13.7
135.11667	4.0
137.09593	2.8
139.11143	3.9
143.08525	1.5
145.02763	1.8
145.10098	4.4
147.11661	3.8
148.07559	1.4
149.05952	4.8
149.09636	6.7
149.13240	9.1
151.11182	13.4
153.09097	70.3
158.10883	3.7
163.07558	1.3
163.11143	3.7
163.14751	5.2
165.12726	2.5
167.14333	3.1
173.13243	20.1
175.09740	2.0
177.05521	2.4
191.14302	58.8
192.14757	1.5
194.10793	1.3
209.05890	25.4
209.09615	3.6
209.11513	1.9
209.13434	2.2
209.15329	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.11000	0.3
50.45210	0.2
53.03930	1.3
55.01625	0.3
55.01875	4.5
55.05509	24.7
57.03434	1.4
57.07074	3.1
57.28579	0.2
59.04993	0.6
65.03925	0.4
67.05501	13.4
69.03431	0.8
69.07067	4.0
71.04983	1.3
71.35726	0.3
79.05487	11.7
81.06555	0.6
81.07052	18.5
83.04977	100.0
83.08611	3.1
84.05305	1.0
85.06541	2.4
91.05477	5.6
93.07040	21.6
94.07362	0.3
95.04968	1.5
95.08601	16.9
97.06519	1.4
97.10162	1.3
99.08086	1.0
105.04533	0.4
105.07009	2.2
106.00192	0.3
107.08587	15.7
109.06506	1.7
109.10150	6.0
111.04425	0.7
111.08073	6.6
113.09691	0.3
117.07037	1.4
119.08577	1.6
121.06518	1.6
121.10138	8.7
123.08087	0.8
123.11713	0.9
125.05979	0.6
125.09635	1.7
126.01029	0.3
127.07527	0.3
131.08553	3.1
133.10135	1.2
135.08069	2.8
135.11700	1.7
137.09608	0.5
139.07570	0.8
145.10091	1.3
147.11659	1.3
149.09645	2.4
149.13245	9.4
151.11227	0.5
153.09114	1.1
163.11147	0.5
163.14809	6.7
165.12697	0.3
167.14293	0.3
173.13254	3.3
179.08551	0.4
181.10147	0.3
181.15851	1.4
191.14310	5.2
196.05125	0.3
208.68817	0.3
209.05881	0.6
209.09805	0.7
209.11829	0.8
209.13359	0.6
209.15332	8.7
209.17207	0.5
211.20175	0.3
223.76466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01865	6.1
55.05260	1.9
55.05507	27.1
57.03431	3.0
57.07061	2.2
57.36968	1.3
59.04991	2.1
59.73451	1.3
65.03938	2.2
67.05495	20.0
69.03414	6.5
69.07064	11.9
69.47554	6.6
71.04984	22.4
77.03909	1.8
79.05045	2.6
79.05488	44.8
81.03397	3.5
81.07053	15.1
83.04973	37.7
83.08606	9.8
85.02899	1.8
85.06524	5.5
91.04936	2.5
91.05467	30.7
93.07040	47.9
95.04959	80.9
95.08595	5.2
97.06520	9.6
97.10168	2.2
99.04451	14.0
99.08064	2.1
103.05441	2.0
105.04510	2.5
105.07019	26.4
107.04942	28.5
107.07843	2.5
107.08584	49.4
109.06508	10.3
109.10158	7.8
111.04455	7.3
111.08052	4.0
116.06212	2.1
117.06989	8.0
119.08554	13.3
121.06495	41.4
121.10131	32.5
123.04427	4.4
123.08072	4.9
123.11708	4.8
125.05981	9.1
125.09608	5.2
126.01046	14.3
129.06999	7.3
130.07748	2.8
131.04868	1.8
131.08556	76.8
133.06490	1.5
133.10129	5.2
135.04431	3.2
135.08035	4.8
135.11705	8.9
137.05939	2.3
137.09570	1.7
139.07524	3.1
143.08577	1.8
145.06451	4.0
145.10104	42.7
147.08066	7.8
147.11627	3.0
149.05984	32.6
149.09602	100.0
150.10065	1.8
151.11165	12.6
153.05472	7.4
153.09109	18.5
155.08540	1.7
163.07506	6.9
163.11176	38.0
163.14792	1.7
164.01680	2.2
165.09094	18.5
167.07079	9.1
167.10655	16.9
167.14307	24.6
173.09561	11.6
173.13188	1.5
179.10582	1.4
191.10645	60.0
191.14311	4.5
192.10965	1.6
209.05951	11.0
209.11693	73.4
209.15242	19.8
210.02129	1.2
210.11961	1.2
210.77730	1.4
214.94014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.60107	1.1
53.03951	5.7
55.01857	6.7
55.05508	48.4
57.03431	10.2
57.07073	1.2
59.04994	2.1
65.03941	1.3
67.05163	2.0
67.05499	29.1
68.64393	1.1
69.03427	9.3
69.07059	9.9
69.37239	4.8
71.04985	4.6
75.66295	1.1
77.03928	2.0
79.05487	36.2
79.05948	1.8
80.39510	1.1
81.03410	100.0
81.06567	1.6
81.07050	37.1
83.04974	52.3
83.08611	36.4
85.02872	1.5
85.06532	2.9
91.05473	35.0
93.07032	21.5
95.04963	36.8
95.08603	13.7
97.02884	3.8
97.06512	6.1
97.10168	7.3
97.10715	1.7
99.08084	2.3
105.07023	25.4
107.04945	6.7
107.08593	10.7
109.06552	5.6
109.10141	1.6
111.04451	2.3
111.08063	10.6
115.05460	1.5
117.07005	2.2
119.04942	1.5
119.08573	19.5
121.06487	2.1
121.10114	8.5
123.08046	2.4
125.09600	3.3
129.06995	10.9
131.08537	14.9
133.06464	4.8
133.10115	12.5
137.09607	3.1
142.07777	3.5
145.10068	2.0
147.08041	4.0
147.11658	14.1
149.09624	7.2
155.08485	1.5
157.10117	15.9
165.12724	4.7
175.11156	16.4
193.12227	34.1
194.12572	1.2
211.11304	2.1
211.13182	15.4
211.14812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.92379	1.3
53.03936	4.4
55.01871	6.7
55.05508	41.7
56.96572	2.1
57.03439	9.7
65.03921	3.3
67.05162	1.9
67.05499	27.9
69.03423	11.0
69.07073	10.3
70.12933	2.7
71.04978	5.4
79.05043	2.3
79.05486	37.0
81.03411	100.0
81.07052	40.1
82.03723	2.0
83.04974	52.2
83.08618	33.5
85.06551	3.0
91.05476	34.0
91.49084	1.3
92.81729	1.3
93.07035	16.3
95.04965	35.4
95.08593	13.3
97.02898	3.4
97.06500	6.0
97.10158	6.8
102.12826	3.7
105.07008	23.8
107.04919	8.0
107.08597	11.0
109.06506	5.2
109.10138	1.4
110.06095	1.6
111.04406	2.2
111.08082	13.9
113.05943	1.3
115.05460	1.3
117.06985	2.1
119.08585	18.8
121.10134	6.1
123.08024	3.4
123.11770	1.5
125.09612	1.6
129.07001	12.5
131.08548	12.2
133.06438	2.8
133.10127	11.2
135.08040	1.3
137.09657	2.5
142.07776	2.6
145.10123	1.6
147.08023	5.3
147.11688	15.7
149.09651	7.0
151.11235	1.6
155.08530	1.7
157.10130	15.6
162.29980	1.4
165.12781	2.1
169.10118	2.7
175.11171	15.1
182.10925	1.7
193.12227	35.7
196.12538	1.9
201.03003	1.2
211.05603	2.1
211.11304	2.3
211.13237	11.2
211.14905	4.3
225.02692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.28801	1.5
55.01862	3.1
55.05504	7.8
57.07072	3.6
62.36531	1.6
65.03921	2.1
67.05502	16.3
69.03430	100.0
69.07053	2.4
71.04996	7.3
77.60398	1.7
79.05488	8.5
81.03393	1.6
81.07051	44.9
83.04945	1.6
91.05490	9.8
93.07043	23.8
95.04973	17.5
95.08598	8.7
96.05781	2.5
97.06528	7.9
105.07020	17.0
107.08594	25.4
109.06519	52.4
109.10156	12.7
119.08634	2.2
121.10147	2.2
123.08056	13.4
123.11701	19.0
133.10129	15.8
137.05956	3.1
151.11166	51.4
152.91737	1.7
192.54268	1.6
211.11140	3.4
211.14836	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	211.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39346	0.4
55.05501	1.3
67.05500	0.5
69.07053	0.7
79.05465	0.6
81.07027	0.5
105.07003	0.9
115.05446	0.6
119.08598	2.8
128.06226	0.9
129.06999	1.3
141.06982	5.4
142.07764	1.2
143.08566	3.2
152.06186	0.6
153.06981	4.6
154.07774	4.2
155.08551	10.1
156.09309	2.5
157.10103	1.5
165.07008	1.6
166.07761	2.4
167.08553	16.8
168.09328	14.1
169.10121	31.8
170.10902	4.2
171.11655	1.1
178.07791	0.7
179.08543	0.9
180.09256	0.6
181.06516	1.9
181.10103	26.3
182.07304	0.9
182.10901	25.7
183.08121	1.0
183.11681	31.9
184.11966	0.7
193.10172	2.0
195.11674	1.1
196.08838	5.3
196.12469	32.8
197.12845	1.2
209.13171	1.2
211.11382	17.2
211.14798	100.0
212.11568	1.0
212.15137	2.2
229.60847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.40434	2.1
55.05510	14.2
56.96537	2.6
57.03436	2.5
57.07056	8.2
59.05004	14.3
67.05492	15.0
67.67978	2.5
69.03421	4.2
69.07063	35.8
71.04988	64.9
71.19538	2.0
79.05502	12.0
81.07050	41.3
83.08617	14.9
85.06535	10.7
91.05453	6.0
93.07043	41.1
95.04952	3.1
95.08027	3.7
95.08599	53.8
96.83150	2.1
97.06522	22.5
97.47806	2.0
99.04426	4.8
99.08094	12.9
105.07008	13.9
107.08585	37.8
109.06502	4.7
109.10152	22.6
111.08070	5.5
113.09635	3.0
115.07594	12.9
119.08578	34.0
121.10133	27.6
123.08045	7.2
123.11691	80.3
125.09586	3.1
127.07565	4.5
133.10109	34.8
135.11679	85.6
137.09573	8.2
137.13217	3.1
139.15106	2.2
141.09042	5.1
141.12737	8.4
147.11682	6.6
149.13232	18.2
151.14859	3.5
153.12737	23.1
155.10657	10.2
175.14806	48.0
187.27135	2.3
193.15871	15.2
211.07440	2.9
211.11072	4.8
211.16910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.6
69.03425	12.6
69.07064	1.6
70.06586	1.1
70.54669	1.1
78.35571	0.6
82.06555	1.2
84.08138	9.0
89.81396	0.6
94.06541	0.9
98.06064	5.1
101.00886	1.0
112.07599	87.0
113.07928	1.2
119.01913	1.9
122.04604	0.9
128.02415	0.6
130.06519	2.9
140.05524	8.9
144.05141	0.8
148.07672	0.7
152.05580	0.9
158.06625	72.9
159.06827	2.3
162.06163	1.0
162.09100	1.6
170.05190	0.8
170.06627	13.2
176.07675	44.1
177.07889	1.9
184.07961	0.7
185.05347	1.1
186.06096	1.0
188.07669	43.6
189.07721	0.8
194.06673	2.0
200.07651	5.0
211.09239	0.8
212.07658	100.0
213.07820	4.9
218.08763	0.7
230.08720	74.3
231.08914	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	213.047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.2
62.89392	1.0
67.71883	1.0
69.07050	1.1
70.06596	2.1
70.47768	1.7
70.48108	1.5
71.06121	1.4
82.99858	3.8
84.08123	2.4
85.04034	6.1
85.08466	1.1
86.09705	9.0
97.06532	1.5
101.00876	37.1
107.23292	0.9
110.00909	5.9
111.04031	1.8
112.02484	4.1
112.07559	1.7
116.98608	1.4
119.01918	92.8
120.01974	1.8
124.03570	2.2
127.03525	3.3
128.01933	15.1
129.02713	2.9
129.05099	6.7
130.03494	18.6
137.01953	3.7
137.02951	18.5
138.02713	10.2
141.03798	1.4
142.04616	5.7
143.03049	2.9
144.05046	1.5
145.04575	7.3
146.02974	1.9
147.06139	2.1
148.04561	3.0
153.05075	2.9
155.03011	36.4
156.03796	100.0
157.04001	1.5
159.04915	5.2
163.05623	9.6
166.04639	19.6
167.05411	37.7
169.04546	2.0
171.01323	1.4
171.06142	15.4
173.04089	7.5
174.04855	24.3
183.04919	7.7
184.05670	18.7
185.06451	29.7
186.06567	1.0
186.09805	7.0
187.05705	1.6
188.02794	1.3
189.07256	1.8
199.04430	1.8
201.05946	31.8
202.06653	1.5
203.07523	3.2
204.10820	2.0
206.03786	1.2
213.04649	4.0
213.07748	2.1
214.09282	2.6
219.07010	8.9
231.05716	37.8
231.09140	1.8
232.05791	1.3
232.10281	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	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03937	1.2
54.45625	0.5
55.01858	0.8
55.05501	2.4
57.22485	0.5
60.86334	0.6
60.86653	0.5
67.05495	1.4
67.65235	0.5
69.03420	2.3
69.07051	0.9
73.92477	0.5
74.33851	0.5
77.03909	0.8
79.05486	5.3
81.03406	4.5
81.07047	1.6
87.00833	0.9
88.07603	0.8
91.04939	0.9
91.05471	10.8
93.07040	5.4
95.04958	4.4
99.04435	0.6
101.14346	0.6
103.05463	1.1
105.04553	0.6
105.07014	13.4
107.04951	1.2
107.08555	4.0
109.02871	4.1
110.03651	5.2
115.05449	2.2
116.06219	1.6
117.06989	1.7
119.04947	4.9
119.05788	0.7
119.08549	1.2
121.06490	6.2
123.04400	2.2
125.02338	0.5
127.03912	4.3
128.06206	10.1
129.06992	11.6
130.07790	0.9
131.08554	18.7
133.06506	1.0
135.08052	0.6
140.95335	0.6
141.06995	5.4
142.07762	10.7
143.08549	19.4
144.09308	1.2
145.06470	1.7
145.10117	1.6
151.03906	2.5
152.06194	0.7
153.06956	2.1
154.07747	1.5
155.08527	11.1
156.09326	9.1
157.06490	2.5
157.10107	18.6
158.07257	3.8
159.08023	1.7
159.11667	1.5
165.05650	1.1
165.06996	15.9
166.07718	1.1
167.08513	2.3
168.09290	1.0
169.06465	1.5
169.10129	3.4
170.10899	9.6
171.08040	11.4
171.11674	7.6
172.08842	6.8
173.09576	1.7
179.08553	2.8
180.09312	14.6
181.10062	0.9
183.08032	17.9
183.11662	1.8
184.08829	2.5
185.09633	6.5
185.13225	24.5
186.13562	0.5
193.10027	0.8
195.11674	18.1
196.12187	0.7
197.09563	2.5
198.10376	34.5
199.10733	1.0
209.11815	0.5
211.11125	0.7
213.03889	6.1
213.12717	100.0
214.13033	3.2
225.84677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03952	2.3
55.01865	3.9
55.05506	26.1
57.03434	10.7
57.07074	3.5
65.03939	2.3
67.05502	77.0
69.03437	2.0
69.07059	30.2
69.07581	10.3
70.06594	2.1
71.04991	6.6
75.83943	2.0
79.05489	45.5
81.03445	3.5
81.07052	100.0
83.04979	5.7
83.08617	20.5
85.06569	4.6
91.05474	24.4
93.06455	3.0
93.07038	54.3
95.04958	10.1
95.08604	31.6
97.06526	15.5
97.10133	2.9
105.04517	1.9
105.07011	13.2
107.08589	31.3
109.06496	1.9
109.10164	3.6
111.08062	11.3
116.98633	2.8
117.06973	13.3
117.41734	2.0
119.08564	6.5
121.10135	16.6
123.11731	3.4
127.03927	3.2
128.06204	2.7
129.06984	4.6
131.08595	9.7
133.10097	18.5
135.08104	3.8
135.11691	14.0
142.07797	4.2
143.08559	6.0
145.10117	5.9
149.07082	2.3
149.13251	34.5
156.09357	2.5
157.10132	11.2
159.11690	16.8
170.10928	2.5
171.11649	14.3
177.12753	7.4
195.13806	6.1
213.05473	3.0
213.12785	8.0
213.16333	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	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.20820	0.7
53.03938	1.6
55.01868	14.4
55.05505	73.8
57.03425	2.0
59.04988	2.2
65.07629	1.0
67.05498	27.2
69.03424	7.7
69.07062	13.5
69.66105	2.4
70.06567	0.9
71.04986	67.2
79.05487	20.3
81.03413	1.6
81.06569	1.6
81.07048	33.1
83.04988	4.6
83.08608	47.0
85.06538	7.0
87.04465	10.3
91.05460	5.4
93.07037	19.0
95.04946	1.1
95.08594	13.1
97.06521	96.2
97.10159	66.6
97.10660	0.9
97.10815	1.1
98.06856	1.0
98.10487	1.0
98.23445	1.0
101.06007	1.1
101.09627	2.4
105.07022	3.9
105.78069	0.8
107.08583	21.4
109.06522	1.6
109.10143	15.6
111.08097	5.0
113.05975	1.0
117.07009	3.6
119.08564	1.5
121.06490	1.9
121.10129	2.2
125.09615	42.5
129.06956	2.3
131.08525	4.6
133.10153	4.8
133.91791	1.0
135.08051	6.2
135.11688	6.1
142.07870	1.0
143.08566	1.3
147.11656	1.5
149.09547	1.0
149.13289	5.3
149.14281	1.0
151.11205	1.9
153.09082	1.9
157.10143	2.1
159.11734	5.1
171.11694	1.9
177.12732	6.6
185.09570	0.9
189.11194	9.9
195.13780	42.9
195.15582	2.1
209.58035	0.9
213.05547	2.0
213.09084	2.4
213.14813	100.0
214.15131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13692	0.2
51.02380	0.4
51.31443	0.3
55.05505	1.1
69.07058	0.7
70.81927	0.5
76.33820	0.3
79.05482	0.8
81.07050	0.9
83.67743	0.3
91.05473	0.5
93.07040	0.5
95.08627	0.3
98.97585	0.4
105.07047	0.7
115.05462	0.7
117.07004	0.5
119.08561	0.8
121.10132	0.3
128.06210	4.0
129.06995	44.8
130.07309	0.7
131.08524	0.7
133.10114	0.4
141.07001	1.1
142.07764	5.6
143.08554	11.7
144.08827	0.3
145.10124	2.0
149.07149	0.4
149.13255	0.3
155.06006	0.3
155.08513	0.7
156.09346	6.7
157.10112	5.8
159.11725	0.6
169.10078	1.6
170.10883	0.5
171.11674	100.0
172.12030	3.0
183.11682	0.9
184.12425	0.9
185.09584	0.3
185.13226	1.9
198.14047	0.7
213.16360	60.9
214.16710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00168	0.5
52.36815	0.5
55.85926	0.5
58.06595	0.5
69.06709	0.8
69.07065	10.8
70.06584	0.7
72.04520	0.6
72.08144	0.9
77.00882	0.6
82.99809	3.1
84.08142	2.8
86.09701	93.4
87.10018	0.6
97.06528	11.0
100.02481	1.7
101.00873	29.4
112.02457	1.0
113.00927	0.5
114.09094	0.8
118.03516	8.2
119.01914	100.0
120.02000	3.1
130.03522	2.5
131.01917	4.5
136.04568	1.6
137.02948	29.1
138.03055	0.7
142.03503	1.4
144.05055	2.2
144.08698	2.1
144.54893	0.5
149.02937	1.6
154.03481	1.7
155.05498	1.8
158.06606	0.6
160.04562	0.7
162.09792	1.9
168.08626	4.3
172.04578	2.7
172.71449	0.6
173.02959	1.3
173.06607	2.4
179.05490	0.6
186.09749	66.7
187.09906	2.4
190.09264	0.7
191.04015	1.5
191.07668	2.0
196.08208	2.4
197.06552	4.8
204.10797	25.4
214.09224	30.2
215.07613	6.6
215.09421	1.1
232.10289	72.4
233.08401	2.7
233.10559	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	214.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51812	0.8
55.01874	0.7
55.05511	0.9
67.05500	4.3
68.05010	1.0
68.99752	0.9
69.03422	3.4
69.07056	4.6
69.17781	2.3
69.18188	1.6
72.93765	0.7
79.05478	1.7
80.05022	2.3
81.07054	3.0
82.06570	1.3
84.08154	1.5
90.56455	0.7
90.94804	0.6
91.05470	5.9
92.75076	0.7
93.05773	1.9
93.07046	4.0
94.05991	1.5
94.06560	22.1
95.04966	5.1
96.04485	1.4
97.06526	1.8
103.05455	1.2
105.04483	1.0
106.06522	0.8
108.04456	1.4
108.08105	15.9
109.06504	5.5
110.06026	16.5
111.08047	2.4
112.03954	1.7
112.07589	4.9
117.05769	0.9
118.06556	1.7
119.04931	1.3
121.06424	0.8
122.06017	81.1
123.04422	4.7
123.06846	1.2
124.07576	2.9
126.09137	1.7
128.00763	3.2
129.01114	3.8
131.04944	1.2
132.95833	1.1
134.05995	1.0
136.07564	40.4
137.05951	3.0
138.09163	1.8
139.07509	2.3
140.07051	100.0
141.07356	1.2
146.06041	1.0
150.96848	2.6
151.07520	0.7
154.04964	0.8
154.08618	35.4
164.07045	7.0
165.05460	4.9
165.06731	0.9
168.06514	1.0
168.10170	2.4
169.08646	3.9
179.54219	0.8
182.08118	21.7
191.97189	1.4
193.90103	0.7
196.07944	0.5
196.09666	15.1
197.08035	1.2
214.07639	6.9
214.10715	54.3
215.07021	1.9
215.11026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01861	1.0
55.05509	47.1
56.05024	1.0
57.03422	2.0
57.07064	1.8
65.20848	0.8
67.05502	30.4
67.05868	1.5
69.07065	44.3
69.61945	1.2
69.62355	2.6
71.05004	4.5
73.06547	3.1
79.05483	14.4
81.07053	74.6
82.07382	1.0
83.04993	4.1
83.05380	0.7
83.08617	36.6
84.08131	1.4
85.02889	1.2
85.06532	6.1
87.04467	0.9
90.94801	1.1
90.99895	0.7
91.05478	14.0
93.07041	18.4
95.04958	2.7
95.08602	100.0
96.08931	1.1
97.06522	12.2
97.10164	13.6
99.08075	3.6
101.05986	2.2
105.04462	0.9
105.06361	1.1
105.07027	18.4
107.08593	8.1
109.06504	3.7
109.10160	7.6
111.08069	3.4
113.04489	0.8
113.06001	0.9
115.07531	1.5
119.07749	1.6
119.08577	26.4
121.10142	7.7
123.08075	7.2
127.07568	2.5
131.04855	1.9
133.10133	16.0
135.10767	1.1
135.11693	14.4
137.09636	3.8
137.12257	1.2
137.13252	17.2
141.06950	0.8
141.09088	1.5
161.13251	39.4
173.02327	1.5
178.15904	1.3
179.14290	10.0
183.47432	0.8
196.16946	14.0
214.05530	0.8
214.17998	56.0
215.07039	1.8
215.10703	0.9
215.18367	1.0
233.00548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1231
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
55.01866	5.7
55.05516	6.9
56.05019	3.1
70.55129	1.6
71.08630	30.2
72.04514	22.5
82.02937	16.8
83.04969	9.1
84.04496	9.2
85.02888	1.3
88.11265	23.3
89.05999	1.2
100.03973	95.0
101.02370	2.9
101.06005	4.2
111.04432	12.9
114.05499	2.3
128.03432	59.1
129.05515	2.3
130.04991	3.4
130.06502	1.0
139.98466	0.9
142.04996	2.4
142.12244	3.6
146.04475	4.8
155.07025	12.1
158.06006	2.3
170.11749	67.6
173.08073	8.3
198.11285	1.6
199.09525	0.9
200.12834	3.4
216.12296	100.0
217.10674	6.6
217.12993	3.2
217.15323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1548
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.30805	0.4
54.99357	0.3
55.05516	1.0
56.05032	3.7
63.47085	0.5
69.03426	0.5
71.08631	22.9
71.21777	0.7
83.04974	1.8
84.04504	80.5
85.02895	4.0
85.04820	0.5
86.41298	0.4
88.11269	100.0
89.11614	0.5
90.90106	0.4
95.01347	0.4
98.06008	0.8
99.31667	0.5
102.05534	3.5
111.04443	1.8
112.03970	0.5
130.05000	22.8
153.13890	0.5
155.07021	1.8
171.14919	14.2
172.13246	0.5
173.08063	0.8
200.12819	61.8
201.13107	0.9
217.10727	0.9
217.15494	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	217.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54662	0.6
55.05512	1.7
55.36876	0.5
56.05029	4.6
70.67578	0.8
70.67921	0.7
71.08630	36.4
83.04993	2.7
83.06092	3.2
84.04501	100.0
85.02900	6.6
88.11266	95.6
89.06025	1.0
89.11607	0.9
96.15626	0.6
98.65838	0.6
101.06026	0.7
102.05540	5.4
108.85680	0.6
111.04431	3.0
130.05002	44.4
133.07503	0.7
142.69992	0.6
155.06990	3.8
167.19621	0.6
171.13542	1.2
171.14925	18.8
173.08139	2.5
200.12814	74.9
201.13000	0.9
217.10648	2.3
217.15448	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01343	39.0
71.11377	34.0
72.08160	50.1
84.04504	27.9
84.08150	79.3
94.06558	67.8
104.53555	24.9
107.39903	23.7
109.79429	22.0
114.09126	31.4
119.45498	22.9
143.11816	61.0
160.09727	47.6
196.75883	26.0
203.14299	75.9
219.02928	28.3
219.08401	44.8
219.17442	100.0
220.04395	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38619	63.8
69.05780	58.6
71.01821	100.0
84.08139	71.5
90.00222	53.8
90.67142	54.3
94.41013	53.6
219.02686	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.0
55.05512	3.3
56.96563	2.2
57.03464	1.6
59.05013	3.2
60.04534	5.0
61.02925	6.7
68.99793	8.0
69.07072	1.8
70.04465	5.0
70.06595	25.2
71.01353	100.0
71.06925	5.4
72.08168	4.0
73.02911	3.8
74.06079	2.3
75.04481	27.2
78.51722	1.5
81.35712	1.7
83.04952	1.9
83.30937	2.1
84.08157	11.3
85.02918	2.5
86.06081	3.1
86.06686	1.5
86.09702	5.7
87.04465	3.9
94.06565	5.0
98.97602	7.4
99.00816	4.5
101.00889	5.7
101.02402	6.2
103.00652	4.2
103.03938	33.0
105.02246	1.9
111.00809	11.3
111.04443	2.3
113.02386	4.1
116.98586	4.9
117.01850	9.0
119.01904	23.3
119.08616	2.1
121.01678	11.9
121.10162	3.5
125.02337	1.8
127.00259	8.0
129.01852	7.7
129.10194	2.1
130.08667	2.3
131.01865	4.9
131.03403	62.3
132.10237	2.1
133.04948	3.2
133.10144	3.0
137.02953	5.4
139.02698	2.6
141.01816	4.6
142.02608	1.8
145.01291	10.0
145.03691	2.1
145.04965	6.3
147.03221	5.6
149.04428	2.0
156.10208	5.4
157.04910	15.5
158.11861	1.8
158.53975	1.7
159.02888	72.7
165.04231	3.2
173.02963	3.3
174.08514	1.8
174.11249	3.6
177.00861	8.6
177.02534	2.6
177.04349	4.4
185.08733	1.9
186.43768	1.8
191.04121	2.2
195.03677	3.4
195.05354	9.6
196.04794	2.1
201.02457	12.6
203.14308	12.0
216.55632	2.0
218.10982	1.8
218.17543	4.4
219.01778	25.5
219.03598	11.8
219.05432	3.7
219.17464	42.3
219.19482	3.0
220.02121	2.7
237.02516	2.0
237.06409	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	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03938	0.9
55.01873	0.8
55.05495	2.9
57.03431	2.3
65.03931	0.8
67.05505	4.5
69.07054	2.0
71.04971	3.1
71.43568	0.8
72.08134	3.4
75.95515	0.8
79.05490	4.0
81.07047	6.7
83.04991	1.3
85.27489	0.7
91.05470	17.0
93.07042	7.8
94.07240	0.8
94.22332	0.7
95.04956	2.1
95.08607	5.7
97.06545	1.3
103.05467	4.3
105.07025	10.7
107.04941	1.3
107.08602	6.0
109.06520	2.1
109.10144	3.4
111.04473	0.9
111.08102	1.0
115.05457	13.3
116.06242	4.7
117.07035	7.1
118.07738	1.1
119.08581	9.1
121.06492	1.9
121.10134	5.0
123.08089	1.5
125.09605	1.0
128.06213	11.1
129.07001	47.2
130.07736	3.6
131.04921	9.3
131.08562	46.9
132.05719	1.0
132.08894	1.3
133.06464	1.5
133.10115	10.0
135.08052	3.4
135.11653	2.6
137.05981	5.4
141.06984	38.9
142.07590	0.9
143.04903	2.6
143.08530	3.4
144.05707	5.8
145.06474	11.7
145.10126	6.1
146.03603	1.0
146.07271	5.1
147.04395	1.0
147.11711	1.8
148.05139	1.8
148.11172	3.9
149.06029	0.9
149.09636	1.0
151.07576	1.2
153.06979	1.2
155.04848	1.4
155.06001	2.1
155.08508	1.8
157.06476	23.0
157.07565	0.9
157.10109	1.4
158.07256	23.5
159.04390	4.2
159.08052	28.4
159.11684	13.1
160.05186	6.7
160.08769	0.9
161.05936	1.4
161.09605	5.2
161.13234	3.2
162.06673	0.9
163.07524	3.2
163.11180	1.4
168.05699	1.4
169.03485	1.2
169.06458	13.6
169.07663	1.2
170.07245	6.9
171.04419	1.5
171.08057	1.7
173.05974	6.2
173.09575	2.0
173.13199	4.7
174.06752	85.1
175.07510	12.0
175.11131	1.0
175.14819	1.7
176.04654	1.1
176.08211	0.9
177.12744	1.5
183.11711	1.4
185.05951	1.7
186.06763	21.3
187.07326	1.1
188.08290	5.5
189.09094	100.0
190.09583	1.1
191.06987	3.9
191.10658	7.1
191.14374	1.4
201.05234	1.2
201.09093	40.9
201.12738	4.7
201.16365	5.0
202.09375	0.9
203.14255	2.5
219.06670	2.6
219.10146	90.4
219.13414	11.1
219.17349	19.9
220.10509	2.3
237.15027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
53.03926	1.7
55.01855	2.8
55.05505	12.2
57.03420	2.9
65.03935	1.3
67.05491	5.3
69.03426	11.2
69.07050	4.2
72.08122	1.4
79.05489	8.7
81.07039	6.7
83.04980	12.3
83.08601	5.0
85.06561	1.2
90.51057	1.3
91.05470	15.1
93.07037	10.4
95.04951	3.9
95.08583	3.1
97.06505	2.4
99.04381	1.8
105.07012	18.0
107.07915	2.4
107.08585	24.4
109.06483	8.7
109.10120	2.5
111.08069	5.0
113.06038	1.5
115.05441	3.2
116.06127	1.7
117.06999	6.8
119.08569	23.5
121.06461	6.6
121.10114	16.4
123.08049	2.9
129.07007	4.2
130.07748	1.7
131.08556	18.1
133.06430	3.5
133.07387	1.5
133.10123	17.7
135.08040	75.1
135.11639	7.3
137.09647	2.3
142.07761	3.2
143.08571	4.8
144.09325	5.5
145.06465	2.2
145.10098	15.7
147.08003	4.4
147.11659	15.0
148.08852	4.6
149.09615	11.9
149.13242	7.4
151.11147	2.5
157.10100	4.5
158.07248	2.0
158.10866	6.8
159.08002	4.9
159.11693	16.2
160.08818	1.9
161.09627	6.2
161.13235	7.8
163.07478	2.9
163.11153	10.6
163.14809	3.0
168.09317	1.5
171.08034	3.5
172.08824	4.8
173.09596	6.0
173.13245	22.5
175.11174	25.5
176.11900	1.9
177.09045	5.4
177.12729	18.6
183.11668	2.6
186.10402	8.5
189.05463	1.3
189.09111	2.2
189.12631	1.3
191.14305	21.8
201.12703	21.9
202.05521	1.4
203.14317	2.1
204.09322	1.5
204.11392	3.1
219.11911	4.3
219.13777	100.0
219.17393	8.8
220.14238	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	219.1379
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
53.89220	0.7
55.01873	7.1
55.05497	2.3
56.17398	0.8
57.03424	1.5
65.03933	0.7
67.05157	0.6
67.05491	3.0
67.50160	0.7
69.03418	2.2
69.07056	2.6
70.95673	1.2
71.04976	1.4
73.16280	0.6
77.03919	0.8
79.05482	4.9
81.07054	4.1
83.04980	2.1
91.05463	7.3
93.07049	7.5
95.04962	1.3
95.08600	2.6
97.06524	1.5
99.04416	0.7
105.06349	1.0
105.07029	13.4
107.04913	1.0
107.08594	11.5
109.06506	4.9
109.10139	1.8
109.59702	0.6
115.05454	1.4
116.96075	0.7
117.07010	4.9
119.04948	0.7
119.08564	8.6
121.06487	7.2
121.10140	7.8
123.08041	3.9
129.06999	3.8
130.07710	0.8
131.08563	16.7
133.10124	7.7
135.08047	27.3
135.11673	4.0
136.08389	0.9
137.09576	4.8
142.07764	0.8
143.08510	3.3
144.05814	0.8
144.09329	4.6
145.06458	1.6
145.10133	5.6
147.08051	2.6
147.11661	4.3
149.09615	10.5
149.13271	3.4
151.11172	3.6
155.08493	1.0
157.10114	2.0
158.10928	3.2
159.08031	2.8
159.11684	18.4
161.09604	7.3
163.07506	2.1
163.11174	6.1
163.14799	1.1
164.11880	0.9
165.12740	1.4
168.09320	1.5
172.08768	0.8
173.09605	1.2
173.13252	11.9
175.11154	5.0
176.11977	3.6
177.09106	3.2
177.12733	20.3
183.11737	0.8
186.10382	2.3
191.14273	10.5
201.12749	17.0
204.11447	2.8
219.13786	100.0
220.14172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03944	1.5
53.36338	1.2
55.05507	10.5
56.76078	1.2
57.07070	3.5
59.04985	1.2
59.46461	1.0
60.44273	1.0
62.88345	1.1
67.05504	8.0
69.03432	2.5
69.07063	9.6
69.43579	1.8
69.43977	5.0
71.04988	12.1
71.69511	1.2
72.08138	1.4
77.03902	1.8
78.61411	1.1
79.05489	17.6
81.07054	24.4
83.04983	3.6
83.08625	2.7
91.05470	36.2
92.03345	1.0
93.07037	27.1
95.04977	3.2
95.08591	12.5
97.06526	5.9
97.10167	1.5
103.05477	2.2
105.04514	1.7
105.07021	91.7
107.08575	18.9
109.06518	3.0
109.10131	9.5
115.05449	2.4
117.06985	8.7
118.07819	2.3
119.08557	19.5
120.60788	1.2
121.06497	5.5
121.10141	11.7
123.08100	1.8
123.11707	3.6
123.36863	1.2
125.09624	16.5
128.06131	1.4
129.07004	2.0
130.07771	2.8
131.08562	22.3
131.09471	2.2
133.10115	100.0
134.10448	1.7
135.08037	6.4
135.11700	4.2
137.09592	2.9
143.08543	3.3
144.09363	3.0
145.10103	26.0
147.11658	9.0
149.09575	1.7
149.13234	1.8
157.10077	2.6
158.10921	1.2
159.11682	21.1
161.09589	1.8
161.13248	10.2
163.11198	3.4
173.13252	5.1
175.14839	2.1
175.77496	1.2
191.17784	1.2
201.16377	13.1
203.14308	2.9
219.13918	2.0
219.17409	34.1
220.17844	1.4
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	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.21244	1.3
53.03942	1.9
55.01852	1.5
55.05504	11.3
56.96553	10.6
57.03432	1.9
57.07068	4.2
59.80667	1.2
63.51036	1.3
66.27374	1.3
67.05495	11.7
69.03429	2.0
69.07064	23.0
69.34883	5.3
69.35295	2.9
71.05006	6.8
72.08146	3.9
79.05481	11.3
81.07057	15.5
83.08617	7.1
85.06544	7.2
85.91870	1.3
91.05473	18.5
93.07034	21.6
95.04944	4.9
95.08035	1.9
95.08607	27.9
97.06538	2.9
97.10094	1.7
98.22652	2.4
103.05489	1.8
105.04548	1.4
105.07022	63.3
107.08588	34.2
109.06506	3.7
109.09413	2.6
109.10146	28.0
111.08051	5.0
113.09623	2.0
117.07045	6.8
118.97413	1.4
119.08576	83.9
121.06493	4.3
121.10147	19.3
123.08065	5.0
123.11685	2.3
125.09602	2.7
127.11174	4.5
129.06985	1.6
130.07747	2.2
131.08571	15.3
133.09160	2.5
133.10118	28.1
133.39505	1.2
135.08034	6.0
135.11670	10.9
136.92134	2.2
137.09547	4.1
143.08498	1.4
144.09319	4.2
145.10115	30.0
147.11700	9.0
149.09613	6.8
149.13196	4.9
154.93155	3.3
157.10081	2.9
158.10873	1.6
159.11687	38.3
161.13249	100.0
162.13539	1.3
163.11140	6.2
163.14824	1.4
172.94212	11.2
173.13249	9.8
175.14816	11.3
177.09073	1.3
177.12752	2.6
177.16345	7.2
190.95268	9.3
191.14294	9.2
191.17929	6.2
201.12735	3.0
201.16376	38.5
203.14351	3.5
213.96844	2.9
219.11737	2.3
219.14052	9.6
219.17419	69.3
220.17752	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	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03939	0.8
54.30945	0.3
55.01858	1.1
55.05259	0.6
55.05509	9.2
56.96568	0.5
57.03435	0.8
57.07066	0.8
65.03944	0.9
67.05500	23.3
67.17300	0.3
68.75197	0.4
69.03418	1.2
69.07062	5.6
70.05323	0.3
70.05640	0.5
71.04967	1.3
72.08115	0.4
77.03906	0.9
79.05488	28.8
81.03410	2.9
81.07052	22.0
82.07397	0.4
83.04972	1.3
83.08617	3.2
85.06530	0.8
91.05475	29.7
93.07040	26.7
93.07515	0.3
94.07363	0.4
95.04964	5.2
95.08601	12.7
97.06511	2.3
97.10189	1.8
98.77176	0.3
99.08100	0.7
103.05444	0.5
105.04498	1.9
105.07020	11.0
107.04952	8.5
107.08588	14.6
109.06519	1.8
109.10158	5.1
111.08094	0.9
113.09663	0.7
115.05455	0.5
117.07018	9.6
119.08578	9.3
121.06492	4.6
121.10142	8.6
123.08074	2.1
123.11698	1.2
125.09552	0.5
131.08559	16.2
133.10123	4.9
135.07993	0.8
135.11684	4.4
137.09608	1.6
145.10118	7.0
147.11684	1.0
149.09607	0.5
149.13248	0.8
153.12718	0.6
157.10109	0.5
159.11699	3.9
161.13242	1.4
163.16367	0.3
172.94244	0.7
173.13216	1.7
175.14711	0.5
177.12715	0.6
190.95305	0.4
191.18071	0.5
199.14857	0.4
201.16374	2.8
203.14279	0.6
219.17426	100.0
220.17775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54446	0.2
57.07053	0.3
67.05521	0.2
68.86057	0.2
69.47025	1.0
72.08140	0.3
87.04454	1.8
95.04922	0.2
104.04968	0.4
105.03365	1.0
119.08630	0.3
132.04448	2.3
133.02861	0.2
134.09659	3.6
144.55406	0.2
148.11200	0.5
150.05511	1.6
160.03862	0.6
176.10774	0.3
178.04982	100.0
179.05333	1.7
205.15816	1.1
206.04475	21.5
207.04810	0.5
219.17358	0.2
220.06042	28.8
220.13318	4.2
220.18022	0.5
221.06416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.68045	0.6
55.05528	0.8
56.01402	0.7
57.07073	7.1
58.20044	0.7
59.05004	5.2
59.69188	0.6
67.05502	5.9
69.07079	4.8
70.02945	7.7
72.04516	14.2
73.02921	4.6
74.02444	1.2
81.07045	0.9
83.04973	1.3
85.06542	9.9
86.09720	1.6
87.08110	2.2
90.05553	100.0
91.05946	0.8
95.04967	7.1
96.08135	2.1
98.02413	16.7
100.03970	1.9
103.07578	7.3
107.57671	0.7
113.05999	2.3
116.03452	14.1
124.07585	18.6
126.96618	0.7
131.06972	1.4
142.08650	8.5
145.10074	0.7
146.02739	0.9
156.10164	0.9
160.09703	2.4
166.08624	1.9
174.11246	2.7
184.09694	17.6
202.10744	29.1
202.12622	1.6
205.15843	5.3
220.11778	24.3
220.17914	2.2
241.81773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
68.24766	0.5
69.63531	1.5
69.63937	1.3
72.08145	0.7
73.02903	0.6
75.80648	0.5
81.07091	0.9
87.04463	59.6
88.04775	0.5
91.05450	0.8
93.07121	0.6
98.22594	0.7
105.07047	0.5
107.08652	0.5
117.07026	0.6
118.06529	6.6
119.07320	6.8
132.08038	0.8
134.09645	100.0
135.09949	1.1
148.11174	1.2
205.10934	0.7
205.15891	2.3
220.13312	85.4
221.13643	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Ritalinic acid
Peak:m/z	Relative Intensity
57.05056	0.2
60.49253	0.2
61.04891	0.2
64.60920	0.2
67.07235	0.2
71.34354	0.2
74.87383	0.2
81.07036	0.2
87.04460	4.4
87.82516	0.2
90.28550	0.2
94.56803	0.2
118.06529	0.4
119.07323	0.3
124.03977	0.2
132.08084	2.2
133.08861	2.9
134.09645	6.8
136.06145	0.3
138.05396	0.2
146.09596	0.6
148.11200	19.0
149.11574	0.6
159.10365	0.2
170.77701	0.2
174.12773	3.5
175.13542	2.0
202.11781	0.2
204.10201	2.2
204.14615	0.3
205.10968	1.3
205.15872	1.6
220.13303	100.0
221.13663	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.15199	0.1
62.14317	0.1
69.39031	0.5
70.59466	0.1
82.45718	0.1
91.13311	0.1
106.06542	0.2
117.05816	0.1
118.06532	12.0
119.07294	0.4
130.06540	0.2
132.08072	2.5
132.09067	0.2
133.08859	1.5
134.09648	0.9
144.08075	0.4
146.09624	3.4
147.10411	0.4
148.11195	0.2
160.11191	0.6
161.11977	0.2
162.09134	6.3
163.09814	0.2
176.10756	4.5
176.14330	29.6
177.11465	1.6
177.14688	0.5
178.12291	0.1
185.67723	0.1
189.15092	0.1
190.12241	3.4
191.12881	0.2
202.15900	0.9
204.13844	0.4
220.16943	100.0
221.17279	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	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05499	0.7
57.07077	0.5
69.48730	0.8
69.49134	1.7
72.08114	0.5
82.02926	1.6
88.97381	0.5
94.06553	3.4
98.22575	0.6
101.65990	0.5
103.05421	0.5
104.04998	0.7
107.04935	0.4
115.05487	1.0
120.08079	0.9
130.06519	52.7
131.06889	0.7
132.04442	35.9
133.04808	1.1
147.09138	0.7
148.07513	0.7
157.07602	21.2
158.06001	70.3
159.06377	1.2
175.08656	100.0
176.07106	2.5
176.08940	2.1
186.05472	1.8
203.08275	0.8
204.06560	3.8
205.15872	1.5
206.16135	0.8
220.17979	1.0
221.09201	22.8
221.15283	0.7
221.18146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.97749	0.6
54.09670	0.7
57.07069	1.7
69.42426	2.5
72.08134	1.6
73.02925	0.9
74.02428	1.1
74.37537	0.8
75.02701	2.0
81.07047	0.9
82.02941	1.9
82.12135	0.7
83.04946	0.7
84.04471	2.1
90.05531	2.1
93.07034	1.7
94.06560	4.5
95.08552	0.7
98.22785	1.7
100.02485	1.7
103.05457	1.0
105.07008	1.2
115.05445	0.7
118.03495	1.4
119.01894	2.7
119.08561	1.2
120.08105	1.5
121.06501	11.5
130.06525	69.3
131.04843	0.8
131.06828	2.1
132.04445	42.6
137.02986	1.3
138.09068	0.7
141.96561	0.7
145.10106	1.0
147.09218	1.1
148.07532	3.7
150.09142	0.9
156.06769	0.9
156.97473	4.0
157.07603	34.2
158.06006	76.5
159.06354	2.0
174.98553	5.7
175.08661	100.0
176.07144	1.3
176.09010	1.9
179.00699	1.3
185.07112	1.1
186.05515	2.4
197.99069	1.4
198.98566	1.6
203.08162	10.0
204.06348	4.7
204.10031	0.7
204.14697	0.8
205.13310	0.8
205.15849	3.3
206.16219	2.2
216.99551	2.0
220.17894	2.3
221.01677	6.3
221.09219	21.0
221.12646	1.5
222.11177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
56.05035	5.7
57.07092	0.2
65.29229	0.1
67.05499	0.1
69.15269	0.3
69.15685	0.5
70.02967	0.2
77.03930	0.3
79.05477	0.2
84.04502	47.6
85.04836	0.4
90.05560	0.8
91.05444	2.0
93.07045	5.0
94.06565	0.2
95.04974	0.9
98.02454	0.2
103.05462	2.1
105.04566	0.3
107.08559	0.1
109.10184	0.2
117.06969	0.1
119.08636	0.2
121.06501	100.0
122.06820	1.5
125.07932	0.3
129.07072	0.2
130.06528	2.8
132.04442	1.9
133.31616	0.1
138.09138	15.4
139.09410	0.2
147.07968	0.1
157.07623	1.1
158.06015	3.5
159.06364	0.2
165.09302	0.1
175.07236	0.3
175.08679	4.5
176.07082	0.1
176.09018	0.1
185.09950	0.2
203.08156	0.2
203.11060	0.4
204.10175	1.5
206.16203	0.5
221.09489	1.2
221.12881	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03931	2.0
55.05510	7.7
57.03430	1.6
57.07047	2.6
59.02092	1.3
59.05008	1.3
66.65721	1.4
67.05491	4.8
69.03410	2.7
69.07059	15.6
71.04977	4.4
79.05485	7.0
79.65550	1.3
81.07058	10.8
83.04987	1.7
83.08615	5.2
84.99943	1.3
85.02865	1.3
85.06554	6.5
91.05467	10.9
93.07053	11.8
95.04915	2.2
95.08614	12.1
97.06512	2.9
97.56659	1.2
105.07027	36.3
107.08593	20.5
109.02815	1.6
109.06492	6.8
109.10139	6.2
111.08097	1.6
117.07003	2.2
119.08574	95.2
121.06474	6.5
121.10138	24.2
123.08060	12.8
123.11730	2.6
131.08574	4.2
133.06425	1.7
133.10120	44.8
135.08076	3.4
135.11662	7.7
137.08694	1.5
137.09554	6.8
139.07552	1.5
143.08549	1.8
145.10117	4.5
147.08040	6.9
147.11688	26.3
149.09610	2.0
151.07570	3.5
153.09068	2.7
157.10089	3.3
159.11702	8.4
161.09653	11.3
161.13252	100.0
162.13603	3.1
163.11171	2.2
165.09100	27.8
172.98004	1.8
173.13103	1.6
175.11195	2.8
175.14818	16.8
179.10715	1.7
185.13249	4.8
191.14337	1.7
198.00513	1.3
203.14302	20.8
203.17899	3.7
221.09425	2.6
221.11812	7.8
221.15327	62.9
221.18884	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	221.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05499	1.5
57.03427	1.9
57.07053	0.8
59.05001	0.5
67.05505	2.4
69.03435	1.0
69.07072	3.3
70.01737	1.0
70.02097	0.4
71.04990	0.7
79.05496	3.2
81.07047	3.1
83.04976	1.0
83.08634	0.5
85.02853	0.5
85.06536	1.0
91.05463	4.2
93.07040	4.9
95.04952	1.4
95.08617	3.7
97.06525	3.0
98.22701	0.4
105.07027	6.7
107.04902	0.4
107.08597	8.4
109.06519	2.7
109.10172	2.4
111.08100	0.7
113.05965	0.4
115.05422	0.4
117.07038	1.1
119.06125	0.6
119.08582	12.4
121.06499	1.5
121.10146	5.0
123.08068	2.9
123.11714	0.8
128.06253	0.5
129.06969	1.3
131.08553	1.9
133.06491	0.5
133.10126	9.5
135.08051	13.9
135.11679	4.1
137.05997	0.4
137.09619	3.7
143.08540	1.6
144.09245	0.6
145.10136	2.2
147.08090	2.0
147.11688	3.4
149.09622	10.7
149.10802	0.7
150.10335	1.3
151.07565	2.9
151.11142	3.7
153.09001	0.4
155.08531	0.4
157.10126	1.7
159.08046	0.9
159.11685	2.3
160.08829	0.6
160.12619	0.4
161.09621	5.9
161.13245	6.8
163.11209	2.0
165.09116	1.1
165.12762	1.7
170.10895	1.2
173.09586	0.8
174.10423	0.7
175.11200	1.5
175.14813	8.2
177.12743	6.8
179.10670	0.8
179.14325	1.0
185.13235	3.5
188.11963	0.9
189.12753	3.3
191.08546	1.7
191.10663	5.6
193.15901	0.5
203.14301	20.9
204.14714	0.5
205.12186	0.6
206.10902	5.1
206.12842	0.9
221.13330	7.0
221.15341	100.0
222.15709	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
55.01854	0.9
55.05499	1.9
56.96546	1.0
57.03436	1.1
57.07058	0.7
59.04977	0.6
67.05486	2.2
69.03412	1.2
69.07058	2.5
70.93520	1.1
71.04984	0.8
78.87353	0.6
79.05506	2.8
81.07040	2.6
83.04942	0.8
83.08611	0.9
84.76991	0.7
85.06517	0.8
91.05476	4.4
93.07051	4.9
95.04964	0.9
95.08597	3.2
97.06524	2.4
97.15022	0.6
98.95271	0.6
105.07027	5.7
107.08590	7.5
109.06509	1.5
109.10155	1.6
117.07036	0.8
119.08569	9.1
121.06489	1.8
121.10130	3.5
123.08048	2.3
131.08572	1.4
133.06520	0.8
133.10123	8.7
135.08046	11.8
135.11667	2.9
137.09641	3.5
142.07851	0.7
143.08594	0.8
145.10120	1.2
147.08041	2.2
147.11687	2.9
149.09613	10.7
150.10446	1.4
151.07510	1.5
151.11179	3.1
157.10114	1.6
159.11646	1.4
161.09592	5.6
161.13240	5.5
163.11150	1.6
165.09119	1.0
165.12718	1.0
170.10802	1.0
173.09618	0.8
175.11086	1.0
175.14804	6.0
177.12732	6.9
178.09770	0.6
179.14308	1.0
185.13217	2.2
188.11977	1.5
189.12703	3.9
191.10620	7.2
192.94836	1.0
203.14308	15.3
205.12219	0.8
206.10889	2.9
206.12885	1.4
206.16251	1.0
221.13396	4.2
221.15338	100.0
222.15645	2.0
223.00850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
55.01864	0.5
55.05496	1.7
57.03419	1.2
57.07065	0.7
67.05479	1.8
69.03418	1.2
69.06769	0.3
69.07068	4.0
70.01678	0.9
71.04976	0.5
79.05498	3.5
81.07056	3.1
83.04977	0.7
83.08604	1.0
85.02950	0.5
85.06528	1.1
91.05463	4.8
93.07040	4.1
95.04973	1.2
95.08609	2.5
97.06548	2.3
105.07036	8.8
107.04937	0.9
107.07915	0.7
107.08589	7.7
109.06512	2.5
109.10149	1.2
111.08070	0.4
113.05993	0.5
117.07015	1.1
117.20079	0.4
119.08575	13.3
119.09426	0.8
121.06514	1.2
121.10144	6.6
123.08076	3.2
123.11679	0.5
131.08565	1.9
133.06499	0.7
133.10127	10.2
135.08046	12.3
135.11678	3.6
136.08771	0.7
137.09604	2.7
142.07793	0.4
143.08537	0.9
145.10085	1.3
147.08028	2.2
147.11691	3.9
149.09622	10.8
150.10384	2.1
151.07565	1.5
151.11165	3.1
153.09097	0.5
157.10106	1.1
159.08055	0.6
159.11673	1.9
160.08820	0.4
161.09601	4.4
161.11893	0.5
161.13257	9.8
162.13742	0.4
163.11203	2.2
165.09108	3.2
165.12723	1.2
169.08739	0.4
170.10916	1.2
172.75591	0.3
173.09706	0.7
174.10431	1.0
175.11172	1.1
175.14813	6.9
177.12746	7.6
178.09943	0.8
179.10657	0.8
179.14268	0.8
185.13202	2.2
188.12012	1.8
189.12732	4.4
191.08739	1.0
191.10654	7.4
193.10152	0.5
193.15854	0.5
203.14310	17.8
204.14687	0.5
206.10890	3.6
206.13025	1.1
221.13504	3.4
221.15352	100.0
222.15681	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03956	0.6
55.05502	3.1
67.05505	2.5
69.07059	6.3
70.54525	0.5
71.08643	0.7
71.22421	0.5
73.31918	0.4
79.05486	2.5
81.07056	7.7
83.08628	1.6
85.02898	0.7
91.05473	6.5
93.07045	6.2
95.08601	8.7
97.06575	0.6
105.07028	18.4
107.08585	7.5
109.06512	1.2
109.10158	2.2
117.06985	1.1
119.08578	52.5
120.08932	0.7
121.10166	3.8
123.08044	1.5
123.11708	0.8
125.06031	0.7
131.08597	2.6
133.10127	31.6
134.10458	0.9
135.07997	0.7
135.11649	2.8
137.09633	0.8
143.08559	0.5
145.10103	3.9
146.10921	1.1
147.11687	20.0
149.13315	0.7
151.07558	2.3
157.10045	0.7
158.81848	0.5
159.11714	1.2
160.12473	1.0
161.09642	1.4
161.13297	3.8
163.11176	0.6
163.14809	0.6
165.09084	1.1
175.14821	100.0
176.15169	2.3
177.16397	1.4
185.13277	1.5
193.15831	3.5
203.14276	3.7
206.16219	0.8
221.15356	30.2
221.18828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05503	30.4
57.07071	10.9
59.05007	8.2
64.10484	3.8
64.94949	4.5
67.05493	48.4
69.07060	54.6
69.98647	7.5
71.04990	12.7
79.05484	27.4
81.07050	86.9
81.07505	7.3
83.04978	26.8
83.08620	12.9
85.06523	6.6
85.10159	5.1
91.05447	25.6
93.07038	66.9
95.04964	9.0
95.08595	89.3
97.06560	4.5
97.10159	12.2
99.08079	7.5
105.07015	65.8
107.08582	95.1
109.06503	11.4
109.10149	76.1
111.08089	8.0
111.11711	5.7
119.08563	68.4
121.10125	37.2
123.11713	24.8
125.09621	12.7
128.40825	3.5
131.08586	7.0
133.10110	44.3
135.08083	5.9
135.11684	40.6
137.09619	8.9
137.13293	5.1
139.11166	8.3
145.10135	5.9
147.11664	61.0
151.11163	6.2
157.10094	4.8
159.11627	7.3
161.09637	6.5
161.13255	32.0
163.11166	5.9
163.14833	20.1
165.12727	10.3
175.11134	4.7
175.14816	55.1
177.16367	9.5
180.30608	4.0
180.43474	3.9
191.08510	4.8
203.10695	8.6
203.14439	4.4
203.17934	100.0
206.10942	4.6
221.11519	7.2
221.13274	10.3
221.15535	19.8
221.18991	85.0
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
51.32050	0.8
53.03942	1.6
55.05508	10.0
57.07067	3.8
57.12329	0.9
59.05003	0.9
66.97448	0.7
67.05505	11.1
69.07063	8.8
71.04989	24.0
71.43143	1.0
73.06548	1.2
77.92480	0.8
79.05492	20.9
80.59858	0.9
81.07053	78.1
83.04978	2.4
83.08614	5.6
85.06517	1.2
91.05469	11.9
93.07040	41.1
95.04958	3.4
95.08602	28.3
97.06524	2.6
97.10153	3.1
99.08064	4.6
105.04538	1.5
105.06475	0.8
105.07027	29.8
107.08588	61.3
109.06517	2.9
109.10150	24.4
111.08098	1.1
113.09637	1.8
117.07002	1.9
119.06084	1.1
119.08575	48.2
121.10129	9.1
123.08037	1.2
123.11698	17.4
123.12531	1.5
125.09618	2.0
127.11234	5.6
131.08600	0.9
133.10118	25.0
135.11687	100.0
136.12027	2.3
137.09621	4.5
137.13263	2.7
140.85732	1.0
145.10100	2.1
146.06023	0.9
147.11681	22.8
147.82538	0.9
149.13254	7.5
151.11186	3.2
159.11613	1.3
161.09549	0.9
161.13280	10.7
163.14825	4.9
165.12769	2.7
175.14838	2.8
177.16400	1.6
203.17947	34.0
221.15381	2.8
221.17311	2.6
221.19012	45.0
221.22018	2.2
222.19438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03918	5.0
55.05496	31.1
57.07059	13.5
59.04999	4.6
67.05500	45.4
68.82588	4.3
69.07066	48.4
69.20210	18.9
69.20609	11.9
71.04993	13.8
79.05501	29.4
81.03408	5.6
81.07048	100.0
83.04978	22.4
83.08619	11.9
85.06546	7.6
91.05450	29.3
93.07038	76.2
95.04962	13.9
95.08605	98.0
97.06524	6.6
97.10161	7.3
105.07025	80.7
107.08589	87.0
109.06520	6.5
109.10154	82.8
111.08065	9.0
111.11701	7.2
119.08578	69.0
121.10148	40.1
121.77780	3.9
123.08035	5.7
123.11702	24.2
125.09658	11.5
133.10114	40.1
135.08099	5.7
135.11688	50.0
137.09618	14.1
137.13237	8.0
139.11174	10.0
147.11681	56.9
149.13150	5.8
151.11151	10.8
152.97350	4.9
157.10066	8.4
161.09584	7.1
161.13234	34.0
163.14835	18.3
165.12801	10.4
174.13832	5.0
175.07509	8.2
175.14803	40.0
177.16367	7.0
193.10017	5.9
203.10570	8.7
203.17940	92.8
206.10857	7.1
221.09833	6.5
221.11722	12.5
221.15520	29.1
221.19017	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	1.1
54.59372	1.0
55.05502	9.6
57.01546	1.2
57.07057	3.4
58.88170	1.0
59.04990	1.1
65.88710	1.0
67.05496	8.2
67.05801	1.3
69.07066	7.6
69.27928	1.9
69.28333	4.1
71.04991	16.2
79.05488	13.1
81.07052	40.5
83.04986	2.3
83.08597	4.6
85.06538	1.4
91.05453	8.5
93.07035	32.4
93.07608	2.4
94.07352	1.1
95.04957	2.3
95.08600	23.0
97.06521	1.2
97.10172	2.1
99.08103	4.4
105.07027	18.2
107.08590	52.2
109.06493	4.9
109.10155	16.8
111.08047	1.7
113.09667	1.4
117.06982	1.8
119.07747	2.0
119.08571	32.5
121.06479	4.3
121.10139	8.0
122.05948	1.1
123.08047	2.8
123.11686	13.6
125.09582	1.0
127.11209	3.9
131.08571	1.7
133.10124	22.2
135.11681	100.0
136.12004	2.4
137.09604	4.0
137.13268	3.2
139.11256	1.7
145.10156	2.8
147.11668	16.4
149.13295	6.4
151.11176	3.9
159.11681	1.3
161.09598	1.3
161.13252	12.2
163.11182	1.3
163.14806	4.5
165.12781	3.1
175.14894	3.6
177.16348	1.6
179.14371	1.3
183.86890	1.1
203.14474	1.0
203.17940	30.8
206.16136	1.9
221.07912	1.1
221.13086	9.7
221.15338	2.9
221.18994	40.8
221.22018	2.8
222.19400	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03927	2.4
55.05503	11.4
57.07060	4.4
65.03917	1.3
67.05504	10.8
68.09585	1.2
69.03415	3.0
69.07057	14.3
71.04987	18.2
79.05488	18.8
81.07052	72.5
83.04962	2.2
83.08599	4.3
85.06525	1.4
91.05437	11.2
93.07037	45.0
95.04926	3.7
95.08594	27.0
96.60706	1.3
97.06534	4.9
97.10171	2.0
99.08068	4.7
105.04511	2.1
105.07021	36.7
105.33350	1.2
107.08583	61.0
109.06517	3.4
109.10147	23.5
111.08050	1.9
113.09641	1.3
117.06984	1.7
119.08569	48.9
121.06478	5.0
121.10124	12.4
123.08057	1.6
123.11703	13.9
126.33408	1.4
127.11182	5.2
133.10120	22.8
135.11682	100.0
136.12047	1.7
137.09596	4.3
137.13196	2.7
145.10118	2.1
147.11682	26.3
149.13257	7.7
151.11137	3.5
159.11668	2.1
160.12468	1.5
161.13252	10.9
163.11140	1.5
163.14816	5.5
165.12733	3.0
175.14803	2.6
177.16371	2.4
179.14302	1.7
203.14191	1.6
203.17931	34.0
221.09442	1.6
221.13167	2.4
221.15424	3.1
221.18983	52.9
221.21187	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	9.0
57.07067	1.6
67.05500	7.5
69.07069	8.3
69.21223	6.5
71.04623	2.4
71.04990	23.9
79.05486	24.7
81.07052	80.5
83.08621	3.0
91.05474	10.2
93.07036	42.6
93.61487	1.2
95.04969	3.3
95.08607	20.8
97.06532	2.0
99.08092	3.6
100.70153	1.3
105.07032	24.6
107.08591	51.5
109.06514	1.6
109.10146	16.9
113.09578	1.7
119.08574	37.0
121.10153	8.5
123.08065	1.5
123.11702	10.3
127.11182	3.8
133.10104	20.4
135.11684	100.0
137.09618	2.6
145.10155	1.5
147.10577	2.1
147.11679	18.4
149.13229	6.4
151.11137	2.8
160.12448	2.0
161.13242	9.6
163.14801	4.2
175.14819	3.4
203.17928	34.1
221.15535	2.5
221.18971	44.4
229.85059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01871	0.7
55.05517	0.3
61.03674	0.3
69.50014	0.4
70.06618	0.4
73.02936	0.7
74.03245	0.4
77.03956	0.4
78.90720	0.3
79.05482	0.3
87.04461	0.5
88.04787	0.5
91.05471	0.7
93.07003	0.4
95.08590	0.5
103.05433	0.9
104.04995	0.5
104.37938	0.3
104.99717	0.3
105.61932	0.4
106.06535	0.4
115.05418	0.4
118.06516	0.9
119.07303	0.4
120.08095	12.0
121.06492	0.6
123.04404	0.6
130.06516	100.0
131.06822	2.0
132.04437	18.8
134.09636	0.7
134.61436	0.5
136.89561	0.3
146.05989	0.5
148.07555	28.4
149.02301	0.9
149.07889	0.6
158.06000	29.2
159.06300	0.7
165.09059	0.3
176.07053	80.8
177.07433	1.3
204.06500	2.0
222.07634	4.5
222.11227	0.7
222.14917	2.3
223.05861	0.4
225.04347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
57.03425	0.9
70.69128	0.4
77.03931	0.8
85.02896	7.2
91.05475	4.4
93.07037	8.0
95.04965	1.7
97.47241	0.2
103.05460	5.5
105.04513	0.8
121.06494	100.0
122.06818	1.4
138.09126	7.8
150.38802	0.2
204.10181	10.2
222.11234	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	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05507	70.4
58.99583	5.3
70.82298	0.5
72.23190	0.4
76.02229	1.7
79.05473	0.6
81.07041	0.5
83.08613	100.0
84.08960	0.9
86.99050	5.5
91.05489	0.5
101.09650	14.2
102.75946	0.4
105.00080	8.4
105.06999	0.5
108.70695	0.4
119.95956	0.4
120.08114	3.8
121.06485	1.1
122.02712	1.6
123.04426	0.6
130.06517	28.7
131.06863	1.0
132.04446	5.7
133.04869	0.7
134.09607	0.5
142.60274	0.4
145.60094	0.4
147.04352	0.5
148.07555	9.1
149.02347	1.2
158.05988	9.7
159.08357	1.2
163.03954	0.4
165.09093	0.8
176.07051	25.5
177.07542	0.6
178.08522	0.5
204.06633	0.6
205.08926	11.5
222.07622	2.5
222.11414	1.8
222.14871	1.9
225.04257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1489
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
53.22863	0.6
55.01871	3.2
55.05513	2.8
56.05030	1.5
57.03446	0.9
58.26304	0.7
65.03939	1.1
66.60182	0.6
67.05502	14.0
68.05031	2.4
69.03425	9.3
69.07070	1.6
70.05402	0.8
70.06593	24.0
71.04990	100.0
71.43222	0.8
72.05336	0.7
79.05495	18.9
80.05028	3.0
81.03425	2.2
81.07043	5.2
82.06590	3.0
83.04988	1.5
84.08147	1.8
86.06065	11.9
91.05482	9.0
92.05017	1.7
93.07017	5.7
94.06573	2.2
95.04961	6.7
95.08612	2.6
96.04504	3.5
96.08127	7.8
97.06536	0.9
98.06051	14.1
98.09694	3.1
100.07617	29.5
105.07032	3.0
106.06560	1.3
107.04964	2.1
107.07381	0.8
107.08585	10.3
108.04480	3.0
108.08138	1.1
109.05270	1.4
109.06507	3.1
109.10143	4.7
110.06033	4.6
110.09693	1.4
111.04420	1.0
111.08005	0.8
112.07607	1.0
113.07941	0.8
115.05454	2.4
117.07019	6.5
118.06523	1.0
119.07316	1.1
119.08572	6.9
120.05782	0.7
120.08105	3.3
122.06057	0.9
122.09679	1.2
123.04421	1.3
123.08106	1.3
124.07594	5.8
124.11246	1.6
125.06063	0.8
126.09165	1.2
131.04895	0.8
133.08897	2.2
134.06044	1.4
134.08824	0.5
134.09659	14.3
135.08047	72.6
136.08408	1.3
136.11201	5.4
137.09613	21.5
144.08113	1.1
146.09657	1.9
147.10507	0.9
148.07550	1.1
148.11201	1.7
149.02338	0.9
150.09183	3.5
152.10698	24.1
153.09109	1.7
154.12268	1.5
160.11194	1.0
162.09105	6.4
164.10736	1.9
174.12743	6.0
175.13557	0.9
176.10764	3.5
176.14342	15.0
179.09427	1.5
180.10179	6.3
186.12762	1.0
194.15382	2.6
204.13826	37.8
222.14879	71.4
223.13123	1.1
223.15157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55303	3.6
68.32916	4.9
70.12433	6.0
70.12771	6.1
95.06101	10.0
98.97558	8.3
109.50850	4.5
116.98624	7.7
119.01951	4.5
121.06519	4.6
126.88746	4.0
142.03465	4.7
148.05602	4.1
149.02333	15.3
156.97490	6.7
160.04564	5.3
182.03075	5.3
182.85179	4.2
196.04639	3.6
200.04047	8.8
222.98811	100.0
223.05814	5.7
223.11876	3.8
224.12659	4.1
225.04324	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	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05520	11.6
57.03442	12.3
57.07072	6.5
59.05001	4.6
64.64663	1.6
67.05494	12.9
69.03433	5.1
69.07069	30.0
69.07437	1.9
71.05006	2.6
71.84523	1.6
79.05499	17.1
81.07052	25.2
83.04971	5.9
83.08599	12.2
85.06550	4.4
87.04459	2.6
91.05466	17.4
93.07037	40.5
95.04971	3.7
95.08604	44.3
97.06519	4.7
97.10162	2.5
99.08087	5.3
105.07027	64.8
107.04954	1.7
107.08591	79.6
109.06519	10.6
109.10155	23.0
111.08089	5.0
117.06994	8.7
119.08578	41.3
121.06514	14.0
121.10136	71.1
121.10987	3.5
123.08054	12.3
123.11710	17.4
125.09591	2.2
130.07788	4.9
131.08568	21.6
133.10120	25.5
135.08066	16.4
135.11684	17.3
137.09671	3.0
137.13249	3.7
143.08551	5.4
145.10117	73.4
146.10439	2.5
147.08066	2.4
147.11673	40.2
149.02328	1.9
149.09601	14.8
149.13248	43.2
151.11150	3.0
153.09132	1.8
157.10176	5.6
158.10902	3.4
159.11678	15.4
161.13246	23.8
162.10403	2.4
163.11165	17.1
163.14812	100.0
165.12798	5.0
172.12500	4.3
175.14842	5.8
177.12833	2.0
177.16360	26.0
187.14812	59.7
188.15181	2.2
205.15868	77.1
206.16313	2.6
223.14844	2.3
223.16895	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	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76013	12.8
57.03413	13.2
57.91924	12.1
58.02953	26.5
58.79947	12.3
60.18406	14.6
69.46741	51.1
73.02911	21.5
82.06591	13.1
84.04542	14.6
84.08162	13.8
87.04437	29.3
99.98574	12.5
101.02362	45.5
110.76385	14.7
115.03906	60.2
129.01842	100.0
143.03403	22.7
147.02843	20.2
157.01300	36.3
161.04437	61.3
163.60754	13.0
164.09109	14.6
188.09129	16.7
189.03912	34.0
206.10115	16.3
224.09224	34.4
226.04312	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93674	0.5
53.03936	1.6
54.90756	0.5
55.01859	1.6
55.05509	1.4
57.03441	0.7
59.04992	0.6
65.03941	0.6
67.05499	9.2
68.05023	12.2
69.03417	3.4
69.05799	3.5
69.07074	3.0
70.06583	7.9
70.13004	1.7
79.05495	1.0
80.04988	0.6
81.03407	3.8
81.07043	2.2
83.04967	1.7
84.95035	0.5
91.05473	1.4
93.07039	2.5
94.06551	0.7
95.04970	3.9
95.08598	4.7
96.04482	44.1
98.22816	0.9
106.06550	1.0
107.08553	0.8
108.08101	2.8
109.06490	0.9
109.10155	7.4
118.06557	0.8
119.08596	0.8
122.05997	1.2
122.09705	0.7
124.07573	2.8
136.07545	1.6
137.08556	1.0
137.09604	2.6
139.11075	0.6
150.09114	1.3
152.10753	0.9
164.10709	0.6
165.02437	4.7
178.03195	2.5
178.15926	1.4
181.06480	0.6
182.07288	0.8
196.04292	2.7
197.09666	1.2
206.02780	0.7
206.15384	100.0
207.15704	2.3
224.03728	11.5
224.09164	1.9
224.16429	4.1
225.09003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sparanone B
Peak:m/z	Relative Intensity
53.03943	0.4
55.01871	0.4
55.05506	0.2
57.07049	0.2
65.03940	6.5
67.05502	2.8
68.02673	0.2
69.03416	0.7
69.11649	1.3
70.06572	0.6
71.04976	0.3
79.05489	0.7
81.03419	0.5
81.07032	0.4
82.04195	2.5
82.06588	0.2
83.04967	0.3
85.02905	4.4
91.05463	1.6
93.03401	2.3
93.07027	0.3
95.04961	1.6
96.93996	0.2
97.02902	0.3
97.06532	2.0
99.04427	0.2
105.04491	0.3
105.07056	0.4
108.02070	1.2
109.06516	0.2
109.10184	0.3
110.03649	3.6
111.04458	1.7
119.04909	0.9
119.08544	0.3
120.02090	0.3
121.03978	0.3
121.06504	0.4
123.00775	0.5
125.05983	2.4
126.01057	0.6
137.02324	1.0
137.06038	0.4
138.03107	4.0
142.02588	1.3
147.04384	0.9
147.08101	0.2
148.05179	0.3
151.03903	0.3
153.05452	5.8
161.09547	0.3
164.04721	0.5
165.09111	0.3
166.06268	0.3
170.02080	0.8
171.06520	8.3
175.03946	1.3
181.04941	91.8
182.05313	1.9
191.87852	0.2
192.04190	0.7
196.06989	0.2
207.06490	1.7
209.04398	0.3
210.05228	0.5
225.07558	100.0
226.07886	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	225.0757
Annotation	Sepedonin
Peak:m/z	Relative Intensity
50.01590	1.4
52.34680	1.1
53.03938	2.4
55.01867	2.6
55.05499	4.3
57.03423	2.6
57.07076	1.4
58.06627	1.2
65.03945	10.2
67.05488	4.8
69.03411	4.9
69.07037	2.7
70.06603	1.5
71.04981	2.2
76.03117	1.2
76.16093	1.2
76.48331	1.1
77.03923	2.5
78.34012	1.1
79.05489	9.0
81.03393	3.5
81.07056	17.7
83.04961	4.4
83.08614	1.6
85.02899	5.4
86.09694	2.5
89.03908	1.8
91.05473	71.6
93.03393	2.7
93.07030	5.4
95.04971	9.4
95.08607	2.4
97.02911	2.3
97.06526	4.3
98.09690	3.2
99.04476	1.7
100.11229	1.4
103.05408	1.6
105.03355	2.9
105.04489	1.5
105.06984	3.4
107.04935	3.5
107.08612	1.8
108.02169	1.3
108.05726	3.6
109.06512	26.7
110.03669	2.3
111.04431	3.9
118.04150	8.6
119.04940	66.6
119.08532	2.9
121.02818	1.8
121.06526	3.1
121.10100	1.9
123.04420	5.6
123.08048	3.0
125.05949	2.7
126.01035	3.4
132.02084	6.1
133.02811	1.8
135.04376	3.7
136.05173	3.1
137.05968	29.5
138.03110	4.4
139.03934	1.5
145.02769	2.4
146.03667	2.1
147.04401	53.2
147.07993	1.6
148.04919	1.4
149.02368	8.2
149.09587	1.5
151.07526	1.9
153.05505	5.9
153.09142	1.6
157.03949	7.2
162.03033	1.6
163.03877	2.8
164.04736	6.7
165.05457	13.6
171.06491	6.9
174.03114	1.6
175.03897	83.8
177.01839	4.2
179.06989	5.4
180.04094	1.5
180.10181	1.6
181.04944	73.7
182.15401	3.1
183.06497	15.2
192.02541	2.4
192.04167	31.7
198.14879	3.3
207.06506	100.0
208.06760	1.6
225.04076	3.2
225.07547	76.9
225.14668	2.1
225.19412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sepedonin
Peak:m/z	Relative Intensity
55.01892	1.9
55.05507	2.3
59.96185	0.9
65.03946	5.1
67.05509	1.9
69.03437	1.1
77.03956	0.9
79.05509	1.7
80.06284	1.8
81.07068	1.7
83.04976	3.0
85.02932	1.3
89.03919	3.2
90.86273	0.9
91.05479	62.8
92.05798	1.5
93.07049	1.9
95.04974	10.1
95.08611	1.3
97.06533	1.0
98.09701	0.9
99.04493	1.0
103.05489	3.5
105.03407	1.3
105.07039	2.2
107.04944	1.8
107.08596	2.1
108.05714	1.9
108.52584	0.8
109.06549	1.5
109.10170	1.3
111.04459	0.9
117.03429	1.5
118.04169	7.0
119.04943	62.1
119.08611	2.5
120.05273	1.2
121.02882	1.4
121.06519	2.1
121.10126	1.0
123.04436	3.5
123.08068	2.4
129.03366	1.6
132.02060	5.8
133.02892	1.0
133.10104	1.1
135.04439	2.5
136.05176	1.9
139.11090	0.9
140.15433	0.8
141.12892	0.8
145.02866	2.7
146.03583	2.5
147.04407	48.3
147.11710	1.7
149.02335	9.4
153.05507	1.0
157.03964	7.0
158.04239	0.9
163.03897	4.7
164.04662	6.8
174.03174	1.6
175.03906	83.9
176.04327	1.6
177.01868	2.8
179.06989	5.9
181.05000	8.6
183.06606	2.1
192.04166	27.9
193.04907	3.7
207.06522	100.0
207.13869	1.5
208.06914	2.9
225.07509	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	225.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.9
55.05507	2.3
59.96185	0.9
65.03946	5.1
67.05509	1.9
69.03437	1.1
77.03956	0.9
79.05509	1.7
80.06284	1.8
81.07068	1.7
83.04976	3.0
85.02932	1.3
89.03919	3.2
90.86273	0.9
91.05479	62.8
92.05798	1.5
93.07049	1.9
95.04974	10.1
95.08611	1.3
97.06533	1.0
98.09701	0.9
99.04493	1.0
103.05489	3.5
105.03407	1.3
105.07039	2.2
107.04944	1.8
107.08596	2.1
108.05714	1.9
108.52584	0.8
109.06549	1.5
109.10170	1.3
111.04459	0.9
117.03429	1.5
118.04169	7.0
119.04943	62.1
119.08611	2.5
120.05273	1.2
121.02882	1.4
121.06519	2.1
121.10126	1.0
123.04436	3.5
123.08068	2.4
129.03366	1.6
132.02060	5.8
133.02892	1.0
133.10104	1.1
135.04439	2.5
136.05176	1.9
139.11090	0.9
140.15433	0.8
141.12892	0.8
145.02866	2.7
146.03583	2.5
147.04407	48.3
147.11710	1.7
149.02335	9.4
153.05507	1.0
157.03964	7.0
158.04239	0.9
163.03897	4.7
164.04662	6.8
174.03174	1.6
175.03906	83.9
176.04327	1.6
177.01868	2.8
179.06989	5.9
181.05000	8.6
183.06606	2.1
192.04166	27.9
193.04907	3.7
207.06522	100.0
207.13869	1.5
208.06914	2.9
225.07509	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	225.0908
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
51.61780	0.9
54.45090	0.9
55.05493	1.3
67.05489	1.6
69.03426	2.2
69.07048	1.1
70.67172	1.1
70.67506	1.3
81.07014	1.8
83.04965	1.1
83.08573	1.4
84.58604	1.0
91.05465	1.9
91.21325	1.1
95.04961	1.1
105.07021	1.1
107.08562	1.2
128.06203	1.4
129.06989	3.1
141.07004	5.0
153.06963	6.7
154.07759	16.4
155.08540	2.8
167.08524	1.6
168.05673	1.7
169.10124	8.6
178.07794	6.4
179.08545	10.3
181.06445	25.1
182.07249	76.4
183.07983	7.4
193.34871	1.0
195.07993	2.7
197.09595	64.5
198.09930	1.3
225.09077	100.0
225.19594	1.5
226.09401	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	225.0909
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
55.01856	0.8
69.03443	1.2
69.73067	1.7
81.07072	0.7
90.34728	0.5
91.05491	2.1
95.08585	0.7
98.22817	0.8
105.07010	0.8
109.10194	0.8
115.05502	1.3
128.06206	1.6
129.06981	3.6
141.06998	5.4
145.06497	0.7
152.06213	1.5
153.06987	7.5
154.07764	18.0
155.08502	2.4
165.07051	1.9
167.08568	1.9
168.05676	4.1
169.10127	8.8
178.07767	7.2
179.06113	3.9
179.08540	10.5
181.04875	1.3
181.06480	28.5
182.07266	90.3
183.08018	7.4
195.08018	2.7
196.08829	2.4
197.09604	76.9
198.09991	1.7
207.05547	2.7
210.06807	1.6
218.90070	0.6
225.06638	7.7
225.09073	100.0
226.09415	2.5
238.24620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01848	0.8
55.05499	1.4
57.07069	1.8
67.05503	5.8
69.03442	1.2
71.04988	1.3
75.29055	0.7
79.05482	2.3
81.07053	21.5
85.02900	100.0
85.06515	1.0
91.05463	4.2
93.07039	3.2
95.04980	1.0
95.08608	6.1
97.10655	0.7
99.60122	0.8
100.11251	1.2
105.07014	4.2
107.08581	5.2
109.06510	1.6
109.10157	10.5
111.04433	0.8
119.04955	1.2
119.08566	2.6
121.06483	1.0
121.10132	8.2
123.08103	1.1
123.11699	81.0
125.05977	6.3
131.08595	1.8
133.10078	1.2
141.02132	6.3
141.05338	1.1
145.10121	1.6
147.08025	3.2
147.11696	2.2
149.09604	7.8
151.07484	2.4
161.09596	1.0
167.10660	1.0
169.08539	1.2
175.03831	1.0
180.03145	0.9
181.04958	3.4
189.12737	4.0
191.09245	2.1
207.04353	7.7
207.06384	1.5
207.12025	0.7
207.13788	17.2
207.15569	0.6
208.02760	0.9
225.05415	24.7
225.07524	4.5
225.12834	0.8
225.14661	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	225.1962
Annotation	N,N'-Dicyclohexylurea
Peak:m/z	Relative Intensity
55.01855	0.7
55.05263	0.9
55.05508	11.6
61.04047	28.3
69.07056	1.3
70.06580	3.9
70.35876	0.8
70.70631	0.6
79.05486	0.8
81.07058	1.2
83.08616	19.2
91.05476	0.8
95.08603	0.7
98.97545	0.6
100.11250	48.5
101.95011	0.7
131.98085	0.7
139.11163	0.7
143.11789	13.0
178.99715	1.0
181.06517	0.6
182.07210	0.8
197.09718	0.9
197.29807	0.7
225.09151	1.3
225.19595	100.0
226.19926	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	226.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.4
58.06598	20.5
70.06593	2.1
71.58081	0.3
72.08147	3.8
82.99883	0.6
84.04487	1.5
84.07663	0.4
84.08133	9.7
90.17921	0.4
98.09697	4.5
100.11245	5.1
101.00857	1.9
115.02420	0.7
119.01929	4.0
120.02011	0.8
137.02940	1.2
141.10985	0.4
142.01758	0.4
142.03448	1.3
143.01897	0.6
143.03700	0.8
144.03320	0.4
156.05060	0.4
157.05894	1.9
158.06589	0.4
160.02791	0.4
160.04541	1.9
161.02893	0.8
161.04594	0.6
166.03526	0.6
167.03511	0.5
167.07942	0.9
174.06154	0.3
182.10208	0.5
184.04575	2.9
184.08165	9.6
185.03041	0.8
185.04694	5.1
186.04321	0.7
191.98351	0.4
199.06917	1.5
200.07530	0.4
200.11276	1.3
202.05496	1.3
202.09241	49.5
203.05754	2.9
203.09442	1.6
207.35217	0.4
217.07935	4.3
220.10345	1.3
221.39339	0.3
225.10818	0.5
226.09222	65.2
227.09467	2.5
244.10300	100.0
245.10521	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01871	8.3
55.05499	7.7
56.06684	2.6
57.03439	3.2
67.05502	9.3
69.03424	3.3
69.07055	4.2
70.06604	3.4
71.01333	3.1
71.04990	12.4
71.42208	3.4
79.05483	22.8
81.03411	100.0
81.07048	8.3
83.04979	10.1
83.08597	3.6
85.02898	3.6
91.05468	28.5
93.07042	62.9
95.04963	40.2
95.08584	6.4
97.06495	14.4
99.04446	9.7
100.11243	11.9
103.05455	6.4
105.04508	8.8
105.07045	4.7
107.04938	12.3
111.08076	7.6
119.08543	3.3
121.06499	87.5
123.04420	67.0
125.05988	20.6
126.01128	5.3
137.05997	4.2
139.07547	28.1
139.56006	3.1
149.05988	40.5
151.07478	3.8
163.08641	3.9
167.07021	59.1
167.08333	5.6
210.07571	24.8
218.47650	3.0
227.02214	3.4
227.06935	7.0
227.10344	10.3
227.17531	7.2
228.23257	5.3
233.12314	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	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.05495	0.9
67.05503	2.7
69.03416	2.6
70.93149	1.9
79.05480	3.0
91.05470	6.9
93.07043	1.0
95.04958	6.5
98.43232	0.9
100.11230	1.7
103.05420	0.8
104.26598	0.9
105.07019	5.3
105.13145	1.0
107.04929	3.1
115.05435	3.5
117.07053	2.1
121.06494	13.0
121.11763	0.9
128.06233	7.4
129.06979	4.0
131.08539	1.2
134.82903	0.9
141.06967	8.7
142.07793	5.6
143.08551	10.9
145.06482	30.7
152.06183	1.4
153.07010	3.9
155.08557	3.2
156.09331	11.6
157.06474	2.7
157.10124	2.7
158.07288	6.4
159.08086	5.3
165.06998	22.2
166.07776	36.1
166.85878	1.0
167.08348	1.3
169.06471	11.2
170.07259	1.2
171.08043	11.9
171.11673	8.2
179.08539	2.9
181.10107	16.4
183.08028	11.3
184.08829	25.7
184.10497	1.3
185.09592	9.9
188.95926	0.9
191.08505	1.0
194.07259	3.9
195.08168	1.0
197.05891	5.2
197.09587	1.2
199.11176	48.7
200.11551	1.4
209.09592	20.7
211.07628	1.5
212.08308	29.9
213.08766	1.4
227.10655	100.0
228.11015	2.5
245.05467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.05504	2.4
57.07055	0.9
60.08153	1.8
67.05508	1.2
69.03422	1.1
71.43336	0.6
79.05482	2.2
81.07075	0.6
83.04978	4.1
91.05448	2.1
93.23534	0.7
95.08614	1.4
95.27985	0.6
100.11250	2.8
102.38202	0.7
105.07014	3.5
107.08614	0.6
115.05454	1.0
121.06488	3.6
128.06236	3.9
129.06998	2.6
131.08549	1.2
135.06558	0.6
141.06967	2.5
142.07762	3.5
143.08554	9.9
145.06462	5.0
153.06973	0.9
155.08533	2.5
156.09341	14.3
157.06526	1.2
157.10117	3.1
158.07260	4.8
159.08069	3.9
165.06956	3.9
166.07776	7.6
169.06458	4.3
171.08034	6.6
171.11674	9.3
173.05969	0.6
179.08501	1.3
181.10136	3.8
182.07262	1.5
183.08047	4.9
184.08833	18.2
185.06001	1.1
185.09549	3.2
197.09592	1.9
198.06665	0.8
199.11171	100.0
200.11479	2.0
200.94374	0.6
209.09505	1.9
211.07579	1.2
212.08322	2.7
227.10651	40.3
228.11057	0.7
228.23282	1.4
228.26833	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	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.05509	2.8
57.03424	1.6
60.08149	1.4
67.05476	1.4
70.01373	3.2
72.21102	0.9
79.05472	2.7
81.07047	2.1
83.04969	3.2
83.08594	1.2
91.05495	2.4
95.04939	1.3
99.39975	1.2
100.11256	6.2
105.07017	3.5
105.86947	1.0
115.05470	1.8
121.06506	4.0
121.07553	1.1
128.06195	3.8
129.06967	3.5
141.06975	2.8
142.07816	6.4
143.08556	12.0
145.06467	4.4
154.07784	1.1
155.08578	2.3
156.09329	18.6
157.06422	1.9
157.10135	3.4
158.07245	4.3
159.08047	4.8
165.07010	5.3
166.07784	8.8
169.06464	6.1
171.08044	5.7
171.11717	9.5
181.10138	4.0
183.08034	4.8
184.08838	21.5
185.09558	6.7
197.09561	1.9
198.06717	1.6
199.11168	100.0
200.11539	2.7
209.09509	3.5
211.07477	1.3
212.08284	4.7
227.10641	42.8
227.17490	2.1
228.10925	1.4
228.23201	2.3
228.26921	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.74155	1.7
54.53146	1.8
55.01859	2.4
55.05502	4.1
57.03442	2.0
57.07063	6.0
58.94891	1.5
64.05777	1.6
67.05504	25.0
69.07068	7.6
69.53796	3.9
69.54183	4.6
71.04986	22.5
79.05489	27.2
81.07066	5.0
83.04973	9.1
85.06541	100.0
86.06869	2.6
91.05473	24.4
93.07038	23.7
93.42608	1.8
95.04956	7.2
97.06522	3.7
98.22723	2.2
98.90422	1.7
99.08097	4.0
102.59425	1.7
103.05518	1.6
105.07020	20.4
107.04940	13.6
107.08589	35.3
107.70371	1.6
109.06506	6.9
111.04433	15.8
117.07016	7.6
119.08565	15.8
121.06490	14.6
121.10125	19.9
123.08042	2.3
125.05993	5.9
129.07028	7.8
131.08562	70.3
132.08955	1.7
135.11700	4.4
137.09593	6.2
145.10114	30.4
146.63188	2.0
147.08043	8.5
149.09605	64.9
153.05489	4.1
163.07513	3.2
163.11182	23.3
165.09059	12.4
167.07007	2.4
167.10675	31.7
173.09669	5.6
181.96739	1.9
191.10652	47.2
206.40866	2.0
209.11700	44.3
227.12793	19.6
235.17088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.2
55.05513	4.8
57.07069	7.3
65.03934	3.1
67.05500	28.8
68.57687	1.7
69.07053	6.3
70.99424	2.2
71.04991	17.3
71.56226	1.7
77.03931	1.6
79.05482	31.0
79.05888	2.6
81.07059	5.8
83.04977	7.9
84.69951	1.8
85.06538	100.0
91.05478	22.5
93.07032	27.5
95.04971	8.6
97.06532	3.4
99.08103	4.8
105.07021	22.3
106.65704	1.6
107.04942	14.7
107.08594	29.4
109.06537	4.9
111.04455	13.0
116.06316	2.4
117.07017	6.2
119.08586	14.9
121.06503	15.5
121.10149	17.9
123.04464	3.1
124.97540	1.6
125.05991	5.2
129.07008	6.3
131.08563	67.3
135.08012	2.4
135.11726	5.5
137.09608	7.7
139.07596	2.3
141.05466	2.5
145.06505	2.9
145.10107	31.6
147.08022	5.1
147.11714	1.8
149.06010	3.3
149.09604	73.3
150.10008	2.0
153.05472	4.3
155.07117	2.9
161.52107	1.7
163.07594	2.7
163.11185	25.1
165.09125	13.3
167.10664	32.1
173.09637	6.4
179.10686	2.0
191.10649	56.9
206.21521	1.6
209.11711	46.8
227.12744	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	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.98428	1.5
53.03943	2.5
53.17538	1.5
55.01876	9.8
55.05511	22.7
56.16513	1.7
57.03413	5.3
57.77491	1.5
67.05501	26.6
69.03414	2.7
69.07063	13.6
71.04977	4.0
71.43060	2.4
79.05057	2.2
79.05492	40.9
81.03389	4.5
81.06580	1.8
81.07053	30.8
83.04946	5.7
83.08625	16.0
85.06506	1.9
91.05472	9.4
92.18159	1.8
93.07044	54.0
95.04957	13.7
95.08603	69.2
97.02854	5.9
97.06508	5.0
99.04425	5.4
100.11206	5.4
103.05420	2.0
105.04443	2.3
105.07014	13.1
107.04942	11.7
107.07959	2.1
107.08592	35.8
109.06478	3.9
109.10126	5.4
111.04435	2.7
117.06999	11.4
119.08582	15.4
121.06515	10.1
121.10136	16.2
125.05924	6.6
125.06786	1.7
128.06183	3.4
133.10089	5.6
135.07980	4.6
135.11685	72.6
136.11955	2.1
137.01689	1.6
139.07478	3.8
141.06918	2.9
142.07654	2.4
143.08577	8.5
145.06432	1.6
145.10118	39.2
155.08527	1.7
156.09267	4.2
157.10074	6.9
160.13956	1.8
163.11182	100.0
166.07706	2.6
170.09572	2.3
170.57837	1.8
171.08044	2.1
171.11617	6.1
173.09592	2.3
181.12215	24.4
183.08041	2.2
184.08763	3.0
185.09639	4.0
185.13252	3.4
194.10915	1.9
197.09567	2.3
199.11154	7.9
199.14748	2.2
209.09561	4.1
209.11612	2.4
212.08154	2.8
212.14265	21.0
213.15013	2.8
227.10538	19.7
227.12663	96.6
227.17691	7.1
228.17456	55.0
228.23033	2.6
234.00034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.03943	1.4
54.84436	0.4
55.01864	1.0
55.05511	5.5
56.02649	1.3
57.03432	0.8
57.07066	1.0
62.92575	0.4
65.03937	0.9
67.05500	24.6
69.03435	2.7
69.07059	3.8
71.04989	100.0
72.05293	0.7
79.05482	10.9
81.03400	0.6
81.07050	32.4
83.04987	1.4
83.08615	4.4
85.06553	3.1
88.56473	0.4
91.05475	5.4
93.07039	14.3
95.04961	2.2
95.08602	19.5
97.06518	3.3
97.10167	1.6
98.48268	0.5
99.08100	1.1
100.11227	2.7
105.07026	3.9
107.08585	6.9
109.06524	1.3
109.10165	3.6
111.08086	2.2
111.11731	0.4
113.06038	1.0
117.07019	4.3
119.08615	1.7
120.67216	0.5
121.06505	0.8
121.10151	2.5
123.08109	0.5
123.11719	0.6
125.09657	1.0
127.07580	0.5
128.06256	0.5
129.07004	1.4
131.08566	4.2
133.10126	5.8
135.08104	0.7
135.11684	10.4
141.06989	0.8
142.07750	0.9
143.08557	1.8
145.06511	0.6
145.10199	0.8
149.09691	0.5
149.13239	5.3
155.08568	0.6
156.09370	1.1
157.10143	1.9
159.08035	0.9
159.11697	8.1
165.07022	1.8
166.07776	2.1
171.08057	0.6
171.11650	3.3
175.14859	1.2
177.12804	1.9
181.10136	1.4
184.08827	0.8
185.09650	1.2
185.13286	1.3
193.15863	0.7
194.07190	0.5
195.13805	1.2
199.11192	2.4
199.14772	0.6
209.09561	2.2
209.15399	1.4
210.18645	0.6
227.06950	0.6
227.10841	3.3
227.14548	2.8
227.17906	3.6
228.17137	0.7
228.23273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.73273	1.7
52.55900	1.7
52.92616	1.6
55.05509	10.6
57.03426	5.3
57.07064	6.8
59.04992	7.8
62.83064	1.7
64.48103	1.8
65.03926	2.0
67.01866	2.0
67.05492	10.2
69.03410	4.9
69.07059	14.2
71.04983	25.6
71.44036	2.2
73.06544	1.9
79.05479	7.7
79.22986	1.6
81.07047	21.9
83.04974	8.2
83.08609	9.3
85.06525	10.2
91.05464	12.5
92.17030	1.8
93.07038	26.7
95.04958	100.0
95.08589	19.6
97.06514	25.7
97.10098	2.9
99.04433	12.3
99.08088	26.0
100.11234	9.7
105.07008	16.6
107.08585	27.3
109.06513	22.4
109.10134	13.4
111.04387	4.3
111.08076	9.1
113.06017	2.6
113.09615	2.7
115.07564	9.1
117.06985	1.8
119.08549	8.7
121.06509	3.1
121.10136	24.2
123.08070	4.1
123.11681	8.0
125.09611	10.0
127.07533	14.6
131.08548	7.5
133.10115	40.7
135.08006	5.9
135.11671	8.0
137.09593	5.4
139.11124	10.9
143.10634	4.5
145.10114	4.0
147.11691	9.3
149.09621	5.6
149.13232	14.9
151.11180	3.1
153.09091	26.3
157.10158	1.9
163.14816	5.7
165.12706	2.6
167.07082	6.5
171.10191	18.3
171.11575	3.3
173.13286	13.2
191.14256	11.5
199.11179	1.9
208.30403	2.1
209.08057	3.4
209.15250	16.2
227.07092	2.6
227.10625	4.7
227.16321	53.5
236.98505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03933	2.2
55.01859	3.8
55.05498	10.8
57.03422	5.4
57.07061	9.0
59.04976	6.9
65.03931	2.2
67.05499	27.1
67.37489	1.6
69.03410	4.6
69.07071	18.0
71.04993	39.6
73.06555	2.6
77.03909	2.0
79.05485	28.9
81.07057	20.5
83.04977	8.2
83.08596	6.1
85.06538	87.2
89.16743	1.6
89.54161	1.4
91.05479	18.9
93.07037	37.5
95.04966	100.0
95.08604	19.2
97.06526	25.3
97.10123	3.6
98.23501	3.9
99.04442	11.4
99.08090	31.5
100.11253	8.0
105.07018	27.3
107.04945	9.1
107.08591	48.0
109.06519	20.7
109.10150	9.1
111.04431	11.1
111.08069	5.4
113.06018	3.0
113.09654	2.0
115.07549	8.3
116.06188	2.1
117.07010	5.2
119.08560	18.4
121.06521	12.0
121.09274	2.1
121.10136	39.1
123.08042	3.2
123.11682	7.4
125.05989	6.7
125.09634	9.4
127.07542	13.1
129.06966	4.7
130.07730	1.7
131.08565	46.7
133.09189	2.7
133.10120	35.0
135.08064	9.0
135.11687	12.4
137.09590	7.0
139.07520	1.8
139.11162	17.4
143.10643	4.6
145.10115	21.8
147.08026	4.7
147.11658	9.8
149.05992	1.7
149.09612	50.6
149.13252	9.1
151.11162	6.3
153.05391	2.4
153.09108	29.7
163.11209	18.7
163.14772	6.5
165.09065	7.1
165.12704	3.0
167.07033	2.2
167.10666	22.6
167.14310	3.0
169.08469	3.8
171.10178	19.5
173.09586	5.8
173.13240	16.0
179.10678	2.2
191.10637	41.4
191.14287	11.5
209.11713	42.9
209.15271	16.3
227.12906	14.6
227.16354	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.18635	1.2
55.01875	2.2
55.05506	8.5
57.03432	4.4
57.07071	4.7
59.05001	7.9
67.05497	13.9
69.03427	4.6
69.07071	12.0
71.04995	30.8
73.06585	2.3
79.05484	15.4
81.07056	20.0
83.04993	4.9
83.08612	4.0
85.06538	35.2
86.09700	2.7
91.05466	10.7
91.65795	1.2
93.07039	30.5
93.07610	2.6
95.04965	100.0
95.08610	14.7
97.06528	20.2
97.10177	3.4
99.04461	12.5
99.08092	33.3
100.11260	4.5
105.07023	18.6
107.04977	3.1
107.08594	30.5
107.72935	1.3
109.06522	20.2
109.10129	10.3
111.04422	7.1
111.08081	7.2
113.06001	2.5
113.09631	3.4
115.07563	11.2
117.07027	3.8
119.08569	12.2
121.06516	4.4
121.10136	27.2
123.07223	1.5
123.08064	2.7
123.11687	7.1
125.05973	3.8
125.09626	8.9
127.03969	1.3
127.07571	15.5
129.07019	1.4
131.08557	27.6
133.10129	37.6
135.08075	6.6
135.11694	7.4
137.06012	1.4
137.09615	5.8
139.03806	1.3
139.11169	15.4
143.10609	3.7
145.10107	11.0
147.11676	8.3
149.05978	1.5
149.09610	23.2
149.13211	8.8
151.11197	5.3
153.05515	2.2
153.09105	32.9
153.10277	2.5
158.10904	3.3
163.11195	7.1
163.14821	6.6
165.09105	4.6
165.12778	3.6
167.10713	8.3
171.10193	16.8
173.09566	1.5
173.13254	13.8
177.45494	1.5
191.10678	17.9
191.12305	1.7
191.12627	1.5
191.14293	12.4
199.11276	1.9
209.11746	12.4
209.15254	14.8
227.10622	4.7
227.12782	3.9
227.16362	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03925	1.9
55.05517	10.9
57.03433	22.1
57.07051	3.0
59.04980	3.5
67.05501	23.4
69.03407	8.4
69.07063	13.4
69.19737	12.5
71.04990	48.0
71.08624	2.3
79.05482	11.3
81.03395	3.9
81.07048	46.2
83.04959	5.6
83.08608	5.0
85.06517	8.1
89.97091	2.0
91.05479	12.8
93.07041	43.9
95.04947	8.7
95.08040	3.4
95.08602	51.2
97.06531	9.8
97.10117	2.2
97.22507	1.9
99.04472	19.2
99.08102	13.3
100.11230	9.5
105.07015	23.6
107.08583	39.7
109.06506	9.6
109.09435	2.8
109.10144	48.0
109.20393	2.1
111.08068	5.9
115.07568	2.6
117.07001	1.8
119.08579	16.0
121.10136	29.2
123.08060	17.8
123.11703	15.0
125.09588	7.2
127.07523	3.4
127.11254	2.0
131.08571	11.8
133.09192	2.9
133.10120	40.3
135.08032	4.7
135.11673	15.7
137.09613	18.2
137.13258	3.7
139.11177	20.5
141.06927	2.2
141.09064	5.5
142.07701	2.4
143.08533	2.7
145.06471	4.6
145.10056	3.2
147.11671	19.8
149.09610	2.9
149.13246	29.9
151.10039	3.7
151.11172	42.5
151.89389	1.7
153.06964	2.9
153.12730	4.5
155.10678	2.4
156.09305	3.0
157.12206	2.6
158.10913	2.6
161.13225	16.0
163.14780	11.3
165.06993	2.1
165.12714	9.6
166.07784	2.2
167.14305	4.0
169.12283	2.4
173.13217	15.8
174.13391	1.9
179.14282	8.1
184.08788	2.8
191.14290	16.5
197.15373	5.8
199.11092	5.4
209.15317	55.1
227.06967	3.4
227.10672	14.9
227.16359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1747
Annotation	erythrinan
Peak:m/z	Relative Intensity
54.58480	0.1
55.05476	0.5
66.92237	0.2
67.05471	0.3
69.07044	0.3
70.02239	0.1
79.05453	0.2
81.07034	0.9
83.04945	0.2
91.05450	0.2
93.06999	0.2
95.06084	0.2
95.08591	1.1
97.06501	0.3
97.69386	0.1
105.07022	0.3
105.41626	0.1
109.10181	0.2
110.69572	0.1
119.08550	0.2
121.10098	0.2
133.20180	0.2
135.11630	0.2
156.08061	1.4
158.09579	0.4
159.16920	0.2
161.13222	0.3
170.09618	1.3
171.10429	2.1
172.11150	0.4
179.14297	0.2
182.09673	0.2
184.11186	1.5
185.11980	1.4
186.12686	0.3
192.89674	0.2
198.12759	2.4
199.13531	0.6
200.14330	0.3
212.14328	34.8
213.15076	4.9
226.15804	0.5
227.17004	0.2
228.17461	100.0
228.50107	0.1
229.17793	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	229.0495
Annotation	2,7-Dihydroxyxanthone
Peak:m/z	Relative Intensity
55.01860	1.5
55.05512	0.7
57.03409	0.7
57.07085	1.7
58.06587	0.5
67.05215	0.4
67.05502	4.4
68.99783	7.6
69.07075	0.4
70.06588	3.1
71.01368	0.4
71.42825	0.4
72.04462	0.3
72.08114	0.4
74.62631	0.4
79.05486	0.4
81.03423	0.5
81.07026	1.0
83.08599	0.4
88.07616	3.2
91.05479	3.8
93.07022	0.7
95.04952	1.6
95.06077	0.5
95.08613	0.6
99.00824	4.7
102.09177	3.3
103.05460	25.6
104.05790	0.4
105.03384	22.0
105.07009	0.9
107.08561	0.4
109.06534	0.4
109.10161	2.6
114.45404	0.3
115.05455	0.6
117.07020	0.5
119.08566	1.1
121.10114	0.4
127.00264	20.5
128.06232	0.4
129.06992	0.6
131.04951	0.8
131.08511	1.0
133.10095	0.6
141.65900	0.4
143.08543	0.5
145.01311	41.2
145.10107	0.9
145.36659	0.4
146.01636	0.5
147.04387	0.8
147.08026	1.3
147.18488	0.3
155.08560	0.8
157.10101	0.5
159.08034	0.5
159.11678	0.9
168.09366	0.5
169.10023	0.3
171.11884	0.4
173.05983	1.7
173.09544	0.6
173.11771	1.0
173.13312	1.0
175.60046	0.3
177.05463	2.8
183.11618	0.7
187.11177	0.5
201.05458	8.2
201.12741	0.5
205.25252	0.4
211.11156	0.5
212.14354	0.6
213.14630	0.5
228.17340	1.8
228.23193	15.3
229.04939	100.0
229.12413	2.2
229.16077	2.0
229.17743	0.8
229.19662	0.7
229.23555	5.4
230.05237	2.8
230.18985	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	229.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
56.05027	1.8
56.96557	2.0
57.03410	0.5
58.06343	0.5
58.06601	4.9
58.99850	0.7
59.07373	1.2
60.08160	6.9
65.08567	0.4
65.69098	0.5
68.05008	1.1
70.06588	36.4
72.07071	0.5
72.08145	1.3
82.01439	0.7
82.99863	0.7
83.06084	1.0
84.03002	3.4
84.04497	7.5
84.08134	11.6
86.06051	1.0
86.07159	0.5
96.08111	1.2
98.06052	0.6
98.97578	6.4
100.02479	4.5
100.07611	0.6
101.00867	2.9
101.02539	0.4
102.04043	10.8
103.02435	0.4
104.01971	0.8
114.04007	0.9
114.05524	4.0
114.09176	2.5
116.05571	1.4
116.07082	1.4
116.98618	6.1
118.03513	14.9
119.01911	9.3
119.03645	0.5
120.01953	0.5
120.05113	3.0
121.01659	1.7
121.07253	0.4
124.02438	1.2
124.07575	3.8
126.03980	0.8
126.09167	1.1
130.03520	0.9
132.05043	2.4
134.99675	2.9
136.04538	10.0
137.02948	2.4
139.02666	0.5
141.05078	9.3
142.03493	7.1
142.08624	32.8
143.06647	9.9
143.09016	0.5
144.05090	2.5
144.10185	3.1
144.29082	0.5
150.06148	2.4
157.03482	1.4
159.03271	0.5
159.06149	9.2
160.04553	5.4
160.06386	0.7
161.07706	17.1
162.06123	1.0
165.05159	0.5
166.03485	5.4
170.08118	1.7
171.00594	0.5
172.01572	0.5
176.04016	0.8
177.01007	2.3
181.00491	0.8
182.02354	1.2
183.03186	0.8
183.06116	2.3
184.04544	46.6
185.02907	0.9
185.04628	0.6
185.07710	1.3
186.06122	1.1
187.01056	0.6
187.02905	1.0
187.05640	22.4
188.04172	0.5
188.05812	1.0
200.03421	1.4
202.05595	24.3
203.02510	0.7
203.05786	0.6
205.06696	16.9
206.06985	1.1
211.05606	6.8
211.09286	1.5
212.04048	0.9
212.07704	1.7
219.01926	0.6
223.01550	0.6
228.23225	1.1
229.06717	35.9
229.10474	3.7
229.15459	100.0
230.05026	7.7
230.08606	3.0
230.15778	2.3
247.01456	3.1
247.03537	0.8
248.06136	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84867	4.0
67.05502	21.0
67.46977	4.7
70.06593	35.6
71.43822	5.0
71.44163	4.4
76.00177	4.0
79.05499	19.1
81.03420	13.1
81.07059	15.7
83.04436	4.4
91.05483	13.7
93.07029	11.5
95.04966	6.9
95.08583	31.6
103.05480	6.7
105.07027	90.4
115.25579	4.5
116.07116	5.2
123.08063	100.0
124.08341	5.2
131.08621	7.1
133.06491	11.6
151.07547	76.7
168.13826	12.6
183.08035	7.0
186.14952	9.8
229.08604	17.4
229.12138	6.2
229.15805	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	229.1224
Annotation	Furoixiolal
Peak:m/z	Relative Intensity
55.01853	1.7
55.05494	1.5
57.03412	1.4
57.07055	1.5
61.52396	0.6
65.03929	1.8
67.05160	0.9
67.05499	11.5
67.08930	0.6
68.99787	1.2
69.03413	2.1
70.00687	1.6
70.01010	0.7
70.06575	1.2
71.04981	0.8
71.94167	0.6
79.05485	6.4
81.07053	19.4
83.04970	1.0
83.08558	0.9
88.07624	1.6
91.05475	52.0
93.06522	1.1
93.07041	12.3
95.04967	17.0
95.08601	1.8
97.06521	1.7
99.00807	1.4
100.54063	0.7
102.09151	1.2
103.05450	9.7
104.06232	1.6
105.03401	5.2
105.04501	1.5
105.07024	13.2
107.04938	2.1
107.08559	1.1
109.06514	11.6
109.10152	9.1
111.23982	0.7
115.05429	2.6
117.07008	14.8
119.04942	4.0
119.08576	60.7
120.02386	0.7
120.05756	0.9
120.08905	1.4
121.06503	20.2
121.10102	0.8
123.04433	3.9
127.00256	5.5
128.06184	3.4
129.06995	13.8
130.07735	1.0
131.04948	1.4
131.08568	9.8
131.11482	0.6
132.05716	1.0
133.06467	3.1
133.10101	1.4
137.05978	3.4
141.06981	2.0
142.07771	2.2
143.08537	4.0
144.09300	1.5
145.01309	10.5
145.06480	4.2
145.10112	5.7
146.43797	0.6
147.04379	3.8
147.08038	100.0
148.08379	2.1
153.06984	2.5
154.07701	0.9
155.08525	5.5
155.10582	0.7
157.10103	2.1
159.08051	6.8
159.11682	5.9
161.05937	2.1
167.08630	1.3
168.09314	5.0
169.10091	2.8
171.08040	1.6
171.11693	0.8
172.08781	2.4
173.05878	0.7
173.09668	3.1
173.11714	1.6
173.13098	3.6
178.07750	0.7
181.09973	0.7
183.11679	8.1
185.09601	1.5
186.10464	0.6
187.07614	3.5
187.11176	12.0
193.10146	1.8
196.08821	1.8
199.07535	0.8
199.11133	0.9
200.11876	0.9
201.05463	2.0
201.09113	0.8
201.12724	11.4
211.11205	5.8
228.23164	5.1
229.04933	24.8
229.12242	29.4
229.14017	1.3
229.15886	6.0
229.19565	1.1
229.23566	4.2
230.05463	0.9
230.12402	0.8
230.18942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Furoixiolal
Peak:m/z	Relative Intensity
53.03941	1.4
55.01870	1.9
55.05503	1.0
55.51216	0.7
57.03405	0.7
57.07076	0.8
65.03936	1.3
67.05496	4.3
69.03431	1.5
70.06604	0.9
71.04367	0.8
71.04990	0.9
77.03902	1.0
79.05490	7.1
81.03426	0.6
81.07051	16.6
82.07413	0.6
83.04967	0.8
85.26220	0.6
91.05470	50.7
93.07033	12.5
95.04955	15.8
95.08604	1.8
97.06521	1.7
98.92853	0.6
102.09143	0.7
103.05445	2.9
104.06248	1.7
105.03398	1.2
105.04488	1.6
105.07021	11.2
107.04917	1.4
107.08554	0.8
107.40642	0.8
109.02885	0.9
109.06509	11.1
109.10137	1.9
110.10496	0.9
115.05457	2.7
115.07573	0.7
116.06265	0.6
117.07011	14.7
119.04928	4.5
119.08567	59.3
120.05707	1.3
120.08857	1.3
121.06496	18.8
123.04418	2.7
127.00323	0.8
128.06209	3.9
129.06990	14.7
130.07732	0.9
131.08548	7.7
132.05711	1.4
133.06471	2.1
135.04456	0.6
137.05971	2.6
141.06967	2.5
142.07758	2.4
143.08571	4.3
144.09317	1.7
145.01291	1.3
145.06493	3.3
145.10144	3.5
147.04405	3.2
147.08031	100.0
148.08401	1.5
149.06091	0.8
153.06964	1.9
154.07739	1.6
155.08565	5.2
157.10132	2.1
158.07248	1.1
159.08081	4.7
159.11708	3.6
161.05956	2.6
167.08580	1.3
168.09312	4.5
169.10081	1.8
172.08769	1.7
173.05983	1.3
173.09604	2.3
173.13196	2.8
181.10109	0.9
183.11702	7.7
185.09581	1.4
186.10384	1.3
187.07530	2.5
187.11153	11.0
193.10054	2.3
196.08809	2.1
199.11078	0.9
199.59961	0.7
200.12039	0.7
201.08992	0.9
201.12726	8.9
211.11143	6.1
212.06537	2.3
228.23138	3.1
229.04907	2.6
229.12201	32.9
229.23512	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	229.1222
Annotation	Myrrhone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01863	1.7
55.05504	14.6
57.03438	1.2
57.03706	0.9
59.05006	1.4
65.95753	1.0
67.05495	10.0
69.01597	1.0
69.03429	6.9
69.07063	3.8
71.22754	1.1
79.05488	4.0
81.07051	7.3
83.04977	44.3
85.06537	1.4
91.05483	14.2
93.07038	11.7
95.04955	4.5
95.08614	2.8
97.06532	2.7
97.80632	1.1
103.05479	1.4
105.04523	1.4
105.07030	17.7
107.04940	1.9
107.08588	4.0
109.02856	1.2
109.06487	2.6
109.10136	4.6
115.05466	4.1
116.06182	1.5
117.06999	9.4
119.08579	14.5
121.06500	14.7
121.10129	1.9
128.06242	6.3
129.06987	5.5
130.07776	1.3
131.08560	8.7
133.06464	3.8
133.10081	1.9
135.04422	5.9
141.06960	5.4
142.07773	4.0
143.08574	9.4
144.05640	1.3
144.09222	1.1
145.06493	11.3
145.10127	9.9
146.07233	1.9
147.08020	4.4
152.06108	1.4
153.06950	2.9
154.07704	1.5
155.08533	5.5
156.09303	5.0
157.10077	5.6
158.07262	1.4
159.04428	1.4
159.08044	17.1
159.11696	4.7
161.05963	4.5
165.07022	1.1
167.08525	2.0
168.09358	5.5
169.10103	7.1
170.10857	1.2
171.08041	5.8
171.11687	12.9
172.08781	3.4
173.05965	29.7
173.09592	5.6
173.13240	3.9
174.06761	2.6
178.07872	1.4
181.06468	4.3
181.10141	1.6
183.07996	2.4
183.11662	5.1
185.09596	1.8
185.13190	2.5
186.10387	4.4
187.07539	5.9
187.11131	5.8
193.10104	2.0
194.11139	1.0
195.08052	1.8
196.08832	9.6
198.46030	1.1
199.07523	4.4
199.11223	1.9
201.09152	1.8
201.12746	9.7
201.16309	1.2
211.11162	14.2
211.14694	5.6
214.09892	2.2
222.95450	1.0
229.04866	1.8
229.08536	3.2
229.12225	100.0
229.15718	18.0
229.17967	2.4
230.12592	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	229.1223
Annotation	Dihydropinosylvin monomethyl ether
Peak:m/z	Relative Intensity
50.20158	0.7
53.03946	1.1
55.01865	2.1
55.05510	1.1
57.03424	0.6
65.03938	1.1
67.05502	3.0
68.51188	0.5
69.03423	2.5
71.42699	0.6
74.06593	0.5
77.03925	1.0
79.05482	7.5
81.07051	14.6
83.04981	1.4
91.05474	46.3
93.07037	11.3
95.04343	0.8
95.04955	15.4
97.06540	1.6
103.05463	2.3
104.06239	1.7
105.03421	0.7
105.04502	1.5
105.07020	13.0
107.04959	1.9
109.02870	0.8
109.06509	10.5
109.10185	0.6
115.05438	1.3
117.07013	14.9
119.04934	4.6
119.08572	55.7
120.05704	0.9
120.08921	0.9
121.06499	17.3
123.04459	3.4
128.06212	4.1
129.06995	13.1
130.07768	0.6
131.08562	9.1
132.05685	1.0
133.06496	2.4
135.04436	1.1
137.05991	2.8
138.90889	0.5
141.06972	2.2
142.07753	2.3
143.08521	3.3
144.05743	0.7
144.09344	1.0
145.06482	5.6
145.10109	3.5
146.07155	0.6
147.04420	3.5
147.08037	100.0
148.08369	1.7
149.06041	0.9
151.03857	1.3
153.06927	1.4
153.46655	0.5
154.07790	1.5
155.08543	4.6
157.10123	2.7
158.07275	0.6
159.08052	5.9
159.11682	4.5
161.05977	2.0
167.08534	1.5
168.09314	5.1
169.10114	1.9
171.08086	0.8
171.11652	1.1
172.08745	1.3
173.05948	0.9
173.09602	2.2
173.13261	3.4
178.07732	1.0
181.06499	0.8
181.10132	0.7
183.08076	0.9
183.11655	7.2
185.09631	1.0
187.07524	2.6
187.11177	12.4
193.10008	1.7
196.08800	3.2
199.07539	1.1
200.11876	1.3
201.09038	1.0
201.12727	11.9
211.11133	6.7
229.08565	1.2
229.12216	43.0
229.23531	0.8
230.12573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.7
55.05508	12.0
57.03436	18.8
57.07075	2.3
59.04994	5.2
65.03944	1.3
67.05500	100.0
68.05833	1.2
68.99777	2.2
69.02316	0.7
69.03438	0.9
69.07065	1.7
70.03989	1.7
71.04644	0.7
71.04980	4.3
79.05486	1.5
81.07053	14.9
83.08615	6.6
85.06538	2.1
91.05468	7.4
93.07024	3.1
95.04985	1.1
95.08597	7.2
99.00800	1.6
103.05458	6.7
105.03387	6.4
107.08598	2.0
108.77127	0.7
109.10149	87.5
110.10532	1.5
111.08065	3.4
117.07011	0.7
119.08604	6.0
127.00260	7.2
137.09612	3.9
145.01324	11.4
155.10643	3.2
173.11725	23.6
201.05444	1.7
228.23210	1.3
228.26733	1.1
229.04939	29.9
229.12161	1.1
229.14272	24.1
229.19418	0.7
229.23415	1.3
230.05231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
54.09100	0.5
55.01862	0.8
57.03425	0.9
58.06587	5.8
59.07374	1.6
60.08162	7.2
68.05035	1.1
69.03423	1.2
70.06586	34.2
71.42229	0.5
72.08176	0.6
73.02908	0.5
81.03403	1.0
84.04485	1.2
84.08136	0.7
85.02905	2.2
86.07194	3.6
93.48841	0.5
94.68865	0.5
96.08119	1.8
97.02908	0.5
98.06071	0.9
99.04432	0.5
102.04037	1.1
114.05534	3.4
114.09125	2.3
116.07080	1.3
118.03500	1.0
119.01913	2.6
124.07594	2.8
126.09100	0.8
136.04597	0.5
137.02963	0.5
141.05115	1.1
142.03500	0.7
142.08626	34.5
143.06564	0.5
144.10184	35.7
145.04929	0.6
159.06094	0.5
161.07727	1.4
170.08107	1.8
184.04530	4.1
187.05621	2.7
202.05582	2.1
205.06668	1.9
205.67732	0.4
211.05650	0.6
229.06772	3.6
229.15450	100.0
230.08803	0.6
230.15759	1.6
248.05984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01869	4.0
55.05505	5.4
57.03413	1.9
57.07055	0.7
57.39443	0.6
59.05001	0.9
64.83914	0.6
65.03925	0.8
67.05495	16.3
69.03384	0.7
69.07055	4.1
70.06623	0.8
71.44074	0.9
77.03899	0.9
79.05484	7.1
81.03412	7.5
81.07050	6.7
83.08605	2.8
85.06551	0.8
86.06037	0.9
91.05468	12.1
93.07036	11.4
95.04957	5.9
95.08592	22.5
96.08896	1.3
97.06528	1.3
103.05483	1.7
105.03393	1.5
105.04485	0.9
105.07018	11.9
107.04939	24.1
107.08583	5.6
109.06522	3.9
109.10137	13.6
115.05403	1.1
117.07012	6.4
119.04939	1.7
119.08562	32.1
121.06492	16.7
121.10130	19.2
123.08060	5.4
127.00281	1.4
128.06189	1.8
128.92061	0.9
129.06989	4.5
130.07735	0.7
131.04919	3.3
131.08542	11.1
133.06506	4.4
133.10115	24.9
135.08044	3.8
135.11696	2.2
141.06998	1.7
142.07751	1.5
143.08560	5.2
144.09335	1.3
145.01317	1.7
145.06465	19.8
145.10101	9.8
147.08028	57.5
147.11664	9.1
148.08429	1.0
153.07001	1.2
154.07707	1.3
155.08505	4.5
156.09288	0.9
157.10112	4.5
158.07199	1.5
158.10799	0.9
159.08052	9.1
159.11674	5.9
160.08859	1.1
161.09621	3.8
161.13245	1.4
167.08543	1.8
168.09338	2.5
169.10086	7.2
170.10915	1.4
171.08032	4.4
171.11638	2.7
172.08795	1.8
173.09613	17.0
173.11708	1.7
173.13298	3.2
174.10452	1.0
181.06403	1.3
181.10176	1.6
182.10912	1.4
183.11688	5.9
185.09601	4.4
185.13257	3.5
186.10353	4.9
187.11179	6.4
187.14819	2.5
193.10139	0.8
196.08789	3.1
196.12526	2.1
199.11137	8.5
200.11931	1.6
201.12730	3.5
201.16406	3.5
211.11115	4.5
211.14789	7.9
214.13483	6.6
228.23256	2.4
229.05014	4.3
229.12518	11.7
229.15865	100.0
229.19540	4.9
229.23473	2.0
230.16199	2.6
240.53136	0.7
244.45969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
55.05489	3.0
55.38913	0.7
57.03435	1.7
57.07059	3.6
62.06102	1.0
67.05496	4.6
69.03419	1.0
69.07049	2.6
70.61194	1.3
71.08611	1.5
77.03941	1.3
79.05470	6.7
81.03412	7.7
81.07047	3.6
83.08611	2.6
91.05473	10.7
93.07032	10.0
95.04968	6.5
95.08597	15.5
97.06536	1.2
103.05467	1.8
103.83860	0.7
105.07026	11.7
105.38853	0.8
107.04251	1.8
107.04945	27.0
107.08582	5.6
109.06502	3.2
109.10159	4.6
115.05431	2.2
116.06124	1.0
117.06969	4.5
119.08570	28.5
121.06497	16.6
121.10123	19.8
123.08064	5.9
128.06165	1.5
129.06970	3.4
131.04915	4.4
131.08546	7.1
133.06538	5.5
133.10117	27.0
133.90492	1.0
135.08032	4.9
135.11652	3.5
135.98286	0.8
141.06961	1.9
142.07736	2.1
143.08534	4.4
144.05603	0.9
145.06474	18.0
145.10080	8.1
147.08031	62.9
147.11649	9.2
148.08401	1.4
153.06935	1.5
155.08536	3.4
157.10107	3.3
158.07272	1.2
159.08012	7.3
159.11676	3.8
160.08826	0.9
161.09621	3.0
161.13307	2.4
168.09366	1.9
169.10085	6.0
171.08038	4.4
171.11734	2.2
172.08813	2.7
173.09605	18.4
173.13248	1.6
174.10304	1.4
178.07571	0.9
181.10139	1.4
183.11674	3.9
185.09570	4.5
185.13213	3.0
186.10347	4.5
187.11171	5.9
187.14801	2.4
193.10187	1.2
196.08862	4.2
199.11133	10.7
200.11951	2.0
201.12717	3.6
201.16362	4.3
211.11183	2.7
211.14810	6.5
214.13467	8.0
229.12462	12.7
229.15851	100.0
230.16190	2.1
230.24779	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	229.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22656	0.7
55.01871	9.1
55.05501	3.8
57.03414	0.8
57.07052	1.2
64.07154	0.8
66.08743	0.7
67.05504	6.0
69.03417	1.5
69.07063	3.9
71.42757	0.8
79.05490	5.6
81.03408	8.5
81.07044	2.9
81.39323	0.7
83.08593	1.8
91.05474	11.5
93.07043	10.4
95.04958	5.9
95.08601	16.2
97.06499	0.7
105.07025	9.2
107.04947	27.5
107.08586	3.2
109.06518	3.3
109.10128	4.8
112.57072	0.8
115.05421	1.3
117.07016	4.2
119.08576	32.0
121.06492	15.9
121.10136	19.4
123.08042	6.0
128.06213	1.1
129.07004	4.2
131.04904	4.0
131.08572	8.4
132.05673	0.9
132.11256	0.8
133.06509	4.0
133.10124	25.1
135.08029	7.4
135.11633	2.5
141.06978	1.5
142.07741	0.8
143.08565	4.5
144.09317	0.8
145.06474	16.6
145.10120	8.6
146.07249	1.3
147.08038	59.6
147.11674	8.3
148.08452	1.0
149.09601	1.0
153.06944	1.5
154.07739	1.3
155.08549	4.7
156.09320	1.0
157.06340	0.9
157.10107	4.9
158.07280	1.6
158.10867	1.0
159.08035	10.0
159.11713	3.5
160.08818	1.4
161.09613	8.5
161.13268	1.1
167.08536	2.3
168.09306	2.6
169.10127	6.4
171.08029	2.7
171.11674	1.4
172.08794	3.1
173.09615	22.4
173.13187	3.2
174.10329	1.2
174.19940	0.8
178.07672	0.9
181.06461	3.2
181.10150	1.5
182.10796	1.1
183.11678	6.6
185.09628	9.0
185.13255	4.5
186.10368	6.5
187.11165	8.6
187.14789	1.9
193.10095	2.7
196.08818	10.3
196.12469	1.8
199.11148	9.4
200.11916	2.3
201.12682	6.1
201.16348	3.5
211.11188	9.0
211.14775	7.2
214.09908	1.0
214.13513	8.2
229.12370	27.5
229.15854	100.0
229.26341	1.0
230.16205	2.5
230.24821	1.9
244.38019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01620	0.7
55.01871	11.7
55.05500	3.6
57.03441	2.7
57.07073	6.0
58.06596	6.6
59.04998	0.6
60.08164	23.0
61.08493	1.4
62.06073	0.8
66.34441	0.5
67.05506	5.7
69.03411	1.4
69.07056	2.7
70.02057	1.5
70.02386	0.5
71.08630	2.9
77.03911	1.2
79.05488	6.6
81.03416	10.4
81.07057	3.7
83.08620	1.6
83.65780	0.6
85.10179	1.1
91.05482	13.0
93.07039	9.7
95.04964	5.2
95.08603	16.5
97.06528	1.5
98.22763	0.8
103.05434	1.9
105.03425	0.7
105.04551	1.0
105.07025	11.7
107.04952	23.7
107.08589	5.0
109.06510	3.8
109.10150	6.9
111.35330	0.6
115.05463	2.2
117.07014	6.9
119.04944	1.0
119.08578	32.8
121.06511	15.2
121.10139	17.9
123.08051	5.3
128.06213	1.4
129.07004	4.2
131.04919	3.0
131.08565	7.9
133.06529	3.9
133.10121	23.8
135.08031	6.3
135.11687	3.3
141.06989	1.6
142.07793	2.4
143.08551	6.0
144.05725	0.9
144.09344	1.0
145.06474	18.4
145.10124	9.8
147.08041	53.9
147.11650	7.4
148.08366	0.9
149.09581	1.0
153.06976	1.9
154.07709	0.7
155.08565	5.2
156.09283	1.3
157.06506	1.1
157.10088	4.2
158.07254	2.3
158.10919	1.2
159.08038	9.1
159.11673	4.9
160.08784	1.8
161.09607	10.4
161.13242	0.6
165.06978	0.7
166.07753	0.6
167.08522	2.4
168.09372	2.9
169.10112	6.3
170.10948	0.6
171.08054	5.1
171.11671	1.9
172.08829	3.5
173.09608	25.7
173.13229	3.0
174.10210	1.3
178.07730	1.4
181.06468	5.0
181.10104	2.2
182.10924	1.1
183.08086	0.9
183.11684	8.1
184.08748	0.7
185.09602	11.9
185.13173	3.0
186.10391	7.5
187.11180	9.0
187.14749	1.7
193.10109	4.8
195.08093	1.0
196.08829	12.8
196.12466	1.9
199.11201	9.2
200.11945	3.1
201.12759	9.3
201.16333	3.9
211.11180	9.8
211.14757	5.9
214.09888	1.7
214.13503	7.1
228.26851	69.7
229.04884	1.7
229.12340	37.8
229.15854	100.0
229.27194	31.6
230.12544	1.3
230.16209	3.5
230.24776	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	229.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73951	0.3
56.16252	0.3
57.38865	0.3
58.06596	2.0
60.08151	0.4
68.98260	0.3
70.06589	2.1
72.08141	1.0
72.52713	0.3
75.98603	0.3
84.04483	0.6
84.08129	2.4
84.91203	0.3
86.07188	9.9
86.07710	0.6
86.09707	0.9
98.97579	0.8
100.07614	0.3
101.00882	3.3
102.03931	0.3
109.81006	0.3
113.00854	0.3
116.07048	0.8
116.98632	0.4
118.03529	0.5
119.01911	10.2
130.73842	0.3
131.01910	0.5
133.03444	0.4
137.02965	2.8
138.59406	0.3
142.08656	1.8
144.10187	100.0
144.99825	1.2
145.10526	1.1
155.09346	0.6
157.99416	0.3
161.07751	0.5
168.99805	1.0
172.99234	0.3
183.08742	2.6
183.11253	0.3
184.04526	1.1
187.00883	2.4
196.99391	0.3
202.05565	0.9
203.09416	0.3
205.01924	1.2
215.00354	1.3
229.06889	0.4
229.09425	1.5
229.15387	4.7
247.10329	1.9
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
54.98643	0.6
56.22475	0.3
56.96566	37.3
67.07790	0.4
69.85931	0.4
70.06583	1.7
71.95251	0.8
72.04531	0.4
72.08149	0.9
72.96036	0.6
74.97619	0.4
83.97610	0.5
84.08148	2.4
84.96031	0.7
86.09703	4.8
89.31639	0.4
98.97580	100.0
99.97934	1.2
100.07608	3.2
100.11249	1.4
101.00886	1.4
102.00960	0.9
103.00635	0.4
110.00823	0.4
110.97553	0.7
114.09212	0.5
116.00217	1.7
116.98621	60.7
117.90802	0.4
119.01923	3.4
120.01989	2.9
121.01705	0.9
124.00719	0.6
126.02296	2.6
128.01982	0.4
134.01254	2.3
134.99655	23.3
137.02913	0.7
139.50916	0.4
140.00217	0.4
140.03822	2.3
142.05409	2.6
142.08614	0.4
144.03322	0.8
145.04662	0.4
146.99686	0.5
153.00734	2.2
153.01920	0.5
155.03023	1.3
156.03792	3.4
158.01289	0.5
158.04886	3.7
159.11285	1.3
160.06462	6.9
163.05598	0.5
166.04625	0.7
167.05412	1.7
170.04895	1.3
170.12668	0.4
171.03320	2.7
174.04852	0.5
176.06004	0.9
177.00777	0.4
178.07495	1.9
183.05002	0.4
185.06503	1.4
188.01053	0.9
188.05916	3.6
189.00748	0.7
189.02623	0.9
189.04349	10.5
198.00880	0.4
201.04021	0.5
201.05994	1.4
202.07504	1.1
206.07011	9.0
207.05408	6.2
207.07176	0.7
212.05980	0.9
212.07770	0.9
213.04449	0.9
216.00598	0.6
216.55678	0.5
220.08473	0.7
224.08031	9.5
229.15501	1.4
230.06960	10.7
230.15860	1.2
230.18633	1.3
231.05640	7.8
248.08051	20.8
249.06609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60979	3.3
55.01862	11.5
55.05511	81.0
55.73780	3.0
56.04820	3.7
56.05038	43.0
57.03411	3.4
57.07083	3.5
67.01882	3.7
67.05502	67.0
68.05029	3.5
69.03425	32.4
69.07066	17.5
70.02947	4.5
70.06585	14.7
70.83478	4.5
71.04980	12.0
71.06936	3.9
72.08164	3.6
79.05486	58.4
81.03403	6.2
81.07053	77.5
81.54591	2.9
82.06591	5.6
83.04967	8.2
83.08611	25.4
84.04466	4.1
85.02889	5.8
85.06546	6.4
86.06052	4.3
91.05489	14.6
93.07039	57.2
95.04967	3.9
95.08604	26.6
96.08118	9.1
97.02884	6.6
97.06532	10.0
97.10166	45.2
98.06020	6.0
100.00094	3.3
105.04523	7.2
105.07030	13.0
107.06073	7.1
107.08572	51.1
109.06516	5.4
109.10159	13.7
111.08064	5.8
117.07009	9.6
119.08590	3.2
121.06400	9.8
121.10133	8.9
125.09634	27.1
126.01070	38.1
131.08548	9.9
132.05569	45.0
133.10109	6.7
135.08052	9.1
135.11687	22.0
141.02118	27.9
142.02896	6.3
143.03700	4.1
147.06664	25.0
148.07428	80.9
149.08221	57.5
149.13220	36.7
151.04965	3.9
151.56453	3.4
153.09137	4.3
159.11684	12.4
167.02486	9.2
169.01624	47.2
171.10176	9.0
177.12773	12.5
183.04306	44.6
184.05086	13.5
186.04289	30.2
194.15395	52.1
195.13776	16.0
212.16435	100.0
213.14848	22.8
230.04491	7.2
230.10201	3.7
230.17502	17.8
231.06584	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	230.1902
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.03954	0.1
54.49808	0.1
57.03424	0.1
66.22450	0.1
69.03424	2.1
81.03410	1.2
85.02902	1.2
87.00835	0.6
97.02885	1.1
98.06033	0.2
99.04407	0.2
105.01881	0.2
108.04458	0.3
109.02866	0.3
110.10479	0.2
120.23667	0.1
121.47754	0.1
126.05486	0.2
126.84940	0.1
127.03905	0.7
130.06506	1.1
131.07277	0.4
144.08015	0.2
145.08882	0.3
158.09619	1.4
159.10469	0.2
172.11205	1.7
173.11978	3.3
173.13435	0.2
174.12514	0.1
186.12753	1.8
187.13535	9.1
188.14272	0.9
200.14299	1.8
201.14999	0.4
202.15836	0.2
214.15878	11.0
215.16635	2.1
228.17480	0.3
230.19003	100.0
231.19322	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
58.99848	0.9
67.01845	0.8
68.98285	1.1
69.82056	1.9
70.06582	2.5
70.99828	1.3
72.04547	0.6
72.08144	1.9
74.06057	0.6
82.99842	2.6
84.08128	2.2
85.01379	3.4
86.09693	3.1
86.99309	1.2
91.02432	1.7
92.65623	0.5
98.97567	1.6
99.62909	0.7
100.07608	4.6
101.00866	21.4
103.02431	13.1
113.00865	0.8
115.02432	0.7
116.98587	1.0
117.03983	5.3
119.01908	68.3
120.01967	2.2
121.03469	6.4
125.21408	0.6
127.02422	1.7
129.00333	3.1
131.01897	2.5
133.03455	5.5
135.05025	5.3
137.02943	16.2
138.02835	0.7
143.01909	1.1
145.03452	28.5
146.03497	0.7
147.01372	14.3
149.02931	7.5
151.04503	1.9
155.03049	1.0
156.03773	2.5
161.02943	15.4
163.04509	15.8
165.02446	4.5
166.04825	0.7
167.04018	1.2
167.05377	1.7
171.01363	16.9
171.06117	0.7
172.01559	0.7
172.09615	1.4
173.02959	1.8
174.04787	0.7
179.03996	4.4
183.03491	0.9
185.02928	0.9
185.06473	1.1
187.04524	2.2
189.02423	100.0
190.02544	4.0
191.04120	0.9
201.05931	1.0
205.05524	0.9
207.03468	16.8
207.05397	0.9
212.03983	2.1
217.02016	0.7
230.15965	0.6
230.18622	2.0
231.03505	19.2
231.05988	4.0
249.02034	1.0
249.04518	9.5
251.26062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	18.4
55.01857	5.4
57.03423	6.7
61.02910	2.5
67.01862	3.1
68.99779	4.5
69.03424	100.0
69.07043	2.2
71.04992	14.6
79.05470	3.4
81.03413	48.8
81.07045	2.2
83.04989	2.1
85.02896	58.3
87.00826	28.2
88.08830	1.4
91.05487	4.3
93.07021	2.3
95.04961	1.6
97.02872	16.2
98.23479	5.3
99.04446	20.9
105.01872	5.2
105.07016	3.7
107.08544	1.8
109.02870	26.8
111.00783	1.6
111.04419	1.4
114.91647	1.4
117.06976	1.4
119.08568	5.2
119.49587	1.3
121.06538	2.0
121.10124	1.6
122.67069	1.4
127.03909	44.6
129.07001	3.0
131.08582	3.0
142.07765	1.8
143.08595	3.6
145.04936	1.7
145.10199	1.8
147.07977	3.4
149.09625	2.2
157.10191	2.6
175.07564	2.3
185.06015	2.5
185.13289	5.2
213.03905	6.2
213.12715	2.2
220.58560	1.6
231.04509	2.4
231.06763	11.6
231.10066	2.0
231.13773	8.4
249.14966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03940	4.9
55.01869	4.4
55.05509	4.2
67.01862	6.5
67.05489	12.5
69.03417	11.3
69.07062	3.4
69.77221	8.7
69.86111	2.5
79.05485	22.1
80.05776	2.6
81.07053	45.6
83.04967	10.3
85.02871	3.4
91.05469	40.3
93.07038	96.9
95.04961	67.6
95.08595	13.8
97.06533	4.3
98.98460	3.1
105.04498	7.1
105.07019	23.2
107.04977	2.6
107.08563	14.5
109.02861	3.1
109.06511	57.4
111.08049	4.8
116.06234	3.7
117.06987	5.1
119.08574	16.9
121.06497	60.9
121.10132	33.6
122.07291	5.6
123.04433	6.9
123.08053	19.4
129.06993	8.1
131.08545	27.4
133.06502	5.4
135.04378	3.9
135.08046	10.7
137.05965	7.0
142.07787	5.2
143.08575	12.2
145.01292	6.9
145.10133	7.7
147.08029	14.9
147.11687	7.9
148.08742	6.8
149.05998	13.5
149.09608	85.1
151.07555	3.4
157.10117	14.4
159.11668	3.7
161.09633	10.5
164.50626	2.5
165.06944	4.7
170.10910	3.1
171.08029	4.6
171.11688	3.1
173.09590	11.5
174.10443	2.8
175.07541	39.1
175.11113	4.6
175.14754	5.7
180.09346	3.6
183.08020	3.3
185.13280	11.2
187.11153	3.1
189.08998	2.6
189.12663	3.4
195.03212	2.6
195.11739	7.0
198.10387	4.5
203.10681	3.7
203.14282	10.0
213.12695	34.0
214.12738	2.5
216.11859	2.7
230.24835	3.2
231.06435	17.5
231.13785	100.0
232.14346	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03928	1.9
55.01861	3.9
55.05497	5.4
67.01862	8.0
67.05502	11.6
68.99780	2.6
69.03427	11.3
69.07057	2.4
69.78105	3.0
69.78465	4.0
77.03926	3.0
79.05480	18.0
81.03419	1.9
81.07053	45.1
83.04971	5.1
85.02879	3.5
91.05475	39.1
93.07039	100.0
95.04962	66.6
95.08593	16.5
97.06525	4.8
98.22778	3.2
103.05476	3.3
105.03343	1.9
105.04506	5.7
105.07028	23.0
105.39703	1.6
107.08582	15.6
109.02879	3.3
109.06512	46.6
111.04448	2.1
111.08068	3.5
115.05453	2.5
117.07018	5.8
119.08584	15.4
121.06495	69.9
121.10136	41.6
122.07259	6.8
123.04408	6.6
123.07364	1.8
123.08084	16.7
128.06264	2.8
129.07016	5.3
131.08562	27.7
133.06470	2.1
133.10120	3.7
135.04405	5.6
135.08083	15.3
137.05960	5.8
139.07516	2.0
142.07730	2.0
143.08534	10.9
145.01343	9.8
145.10106	5.0
147.08040	11.7
147.11658	12.6
148.08818	6.1
149.05980	17.6
149.09615	89.8
151.07568	2.9
155.08569	3.1
157.10127	11.6
159.07997	2.3
159.11691	2.5
161.09593	10.0
161.13226	1.7
165.06961	3.4
171.08037	5.0
171.11749	3.3
173.09602	9.4
174.10446	2.3
175.07532	45.3
175.11186	3.8
175.14836	4.4
180.09305	3.9
185.09578	2.0
185.13205	9.8
187.11182	4.2
189.05487	2.3
189.12733	3.2
195.11693	5.7
198.10379	6.1
203.14267	13.3
213.12740	33.1
216.48853	1.7
223.52986	1.8
230.24818	2.0
231.06546	12.8
231.10110	6.0
231.13782	99.7
232.14084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03930	1.8
55.01860	2.7
55.05495	3.0
57.06815	2.5
57.07070	26.8
58.06584	4.6
58.07399	3.0
58.47911	1.6
62.06088	17.1
62.71364	1.4
67.05511	8.7
69.03426	7.8
69.07056	1.8
69.57220	3.8
69.57611	3.4
70.96214	1.4
71.08626	11.0
77.03934	2.8
79.05487	17.4
81.03411	2.1
81.07057	37.2
82.42964	1.5
83.04964	4.8
85.10159	4.2
91.05478	28.8
93.07040	76.9
95.04964	50.8
95.08598	11.3
97.06512	3.6
105.04483	2.4
105.07018	15.3
106.44122	1.5
107.08577	14.2
109.02857	4.2
109.06512	40.2
110.96301	1.3
111.08073	2.2
116.06211	3.3
117.06988	2.3
119.08569	10.8
121.06493	48.6
121.10142	33.7
122.07302	4.1
123.04424	4.5
123.08054	12.7
129.06990	6.0
131.08557	23.1
133.06508	2.3
133.10121	3.6
135.04411	4.8
135.08035	12.5
137.05998	4.2
138.79337	2.0
143.08549	4.4
145.10094	5.7
147.08041	8.7
147.11665	8.4
148.08865	8.3
149.05986	15.5
149.09605	70.0
151.07515	2.6
156.09303	2.1
157.10156	8.2
159.11696	2.1
161.09593	8.3
161.13226	2.8
165.06943	2.4
170.10854	2.7
171.08005	3.8
171.11717	3.0
172.08876	2.2
173.09624	10.3
173.13174	2.3
174.10370	1.9
175.07538	34.8
175.11122	2.3
175.14830	3.3
177.65527	1.5
180.09338	2.7
183.07996	3.7
185.13257	10.0
187.11151	2.2
189.09055	2.2
189.12810	3.1
195.11719	4.6
198.10339	5.2
203.14328	12.5
212.23659	8.5
213.12723	23.1
213.23888	2.6
230.24777	100.0
231.06534	3.1
231.13788	81.4
231.25110	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	231.1379
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	0.8
55.05260	1.0
55.05511	15.7
57.02650	0.7
57.31489	0.6
67.01865	2.8
67.05498	1.4
69.03430	3.7
79.05492	3.9
81.03419	1.1
81.07057	5.9
83.04978	100.0
85.02912	0.8
91.05472	3.8
93.07037	11.1
95.04984	2.2
95.08572	3.4
97.02911	0.8
105.07019	5.4
107.08622	2.0
109.06522	6.5
119.08588	2.6
121.06519	4.6
121.10136	4.0
123.08118	0.7
127.00270	1.1
128.67886	0.7
129.07002	1.4
131.08585	2.6
133.06506	0.8
133.10147	0.9
135.08083	1.4
142.07823	1.1
143.08531	1.2
145.01340	4.3
145.10126	1.4
147.08075	2.6
149.05969	7.4
149.09607	11.6
151.07582	0.8
161.13377	0.7
173.09612	0.8
175.07581	2.0
185.13225	1.2
189.09148	0.8
197.97871	0.7
203.14323	1.9
213.12759	1.6
231.06480	6.6
231.13806	11.1
231.17336	0.8
247.39246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03934	4.5
55.01879	3.7
55.05497	4.8
57.07061	4.8
57.83937	1.4
65.03922	1.9
67.01853	4.1
67.05503	8.4
68.99800	1.7
69.03427	24.1
69.07088	1.5
70.26970	2.9
71.04977	2.2
71.08617	1.7
79.05480	13.9
81.03406	7.3
81.07057	30.9
83.04966	6.3
85.02898	8.4
85.06536	1.5
86.35010	1.5
87.00777	1.9
91.05476	32.0
93.07042	66.0
95.04966	53.6
95.08601	11.5
97.02864	5.8
97.06490	1.9
99.04452	2.3
99.17286	1.5
103.05493	1.7
105.03399	2.1
105.04494	3.5
105.07034	18.5
107.04951	2.9
107.08589	13.3
109.02868	5.6
109.06513	35.8
109.63279	1.5
111.04431	2.6
111.08036	2.3
115.05459	3.8
116.06232	3.5
117.07009	6.2
119.04964	2.0
119.08558	13.8
121.06512	45.7
121.10146	30.5
122.07243	6.6
122.10494	1.4
123.04415	4.7
123.08076	10.4
127.00252	2.9
127.03921	4.4
128.06233	4.0
129.07013	8.9
131.08560	22.3
133.06522	3.3
133.10106	5.9
133.95198	1.5
135.04445	8.0
135.08018	12.0
137.05954	4.4
139.07497	2.5
141.06955	6.0
142.07773	25.8
143.08554	10.2
145.01268	5.0
145.06459	3.1
145.10075	4.4
147.04433	1.7
147.08066	9.7
147.11685	7.7
148.08786	4.0
149.05984	11.3
149.09616	100.0
150.09972	2.6
151.07542	1.4
152.06190	2.9
155.03229	1.3
155.04813	1.6
155.08490	3.5
156.09254	3.4
156.17426	4.5
157.10126	17.8
158.07240	2.0
159.08109	2.6
159.11618	1.9
161.05911	2.4
161.09621	8.7
161.13271	3.0
163.07549	1.6
165.06998	6.0
167.08548	3.1
170.07269	10.5
170.10899	3.4
171.08020	5.1
172.08832	2.2
173.09622	6.0
174.10303	2.9
174.18550	15.2
175.07550	31.9
175.11096	3.1
175.18849	3.2
180.09328	2.5
183.07971	1.7
185.08154	1.4
185.09610	29.6
185.13228	11.5
187.11189	3.2
189.09123	3.3
189.12677	2.8
195.11716	4.4
198.10413	6.0
203.03391	3.3
203.10658	2.8
203.14351	10.8
213.09114	58.4
213.12631	23.9
230.24792	20.0
231.06616	11.4
231.10284	17.2
231.13777	90.4
231.25121	7.3
232.14177	2.3
232.22688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03939	0.5
55.05506	11.8
56.12618	0.2
57.05815	1.4
57.06054	0.3
59.24566	0.2
69.03427	0.4
69.50342	0.2
69.55308	0.6
69.55705	0.4
72.08150	100.0
73.08488	0.6
86.09701	5.4
87.63010	0.2
96.60165	0.3
132.10194	3.7
185.16504	0.8
198.68976	0.3
211.94859	0.2
231.06525	0.3
231.17062	2.1
232.17282	0.2
233.27364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05509	10.6
56.05027	0.3
57.05814	1.3
67.01865	1.0
68.99778	0.3
69.03416	0.3
70.06580	0.3
70.74475	0.4
72.08150	100.0
73.08490	0.7
81.03412	0.4
85.02901	0.4
86.09701	5.4
97.02890	0.3
98.44982	0.2
99.00820	0.2
105.03422	0.4
105.07036	0.9
116.07078	0.2
127.00285	0.6
132.10191	3.1
145.01331	1.4
171.04521	0.2
185.16479	0.7
231.06508	2.1
231.17041	2.1
232.16986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41239	0.6
69.07071	3.8
70.06586	8.9
82.99843	1.1
84.08147	1.1
85.02869	0.8
86.09699	46.6
89.71240	0.7
93.38091	0.7
96.25379	0.8
97.06516	5.8
98.97564	1.6
100.02429	0.9
100.97180	0.9
101.00872	15.4
101.01526	0.9
115.13132	0.8
116.10764	0.8
118.03516	4.5
119.01913	42.1
120.02010	2.2
130.03482	1.3
131.01874	2.0
137.02959	9.0
144.05011	1.3
144.08661	0.9
145.03432	1.0
156.72865	0.7
168.08725	2.4
172.04539	1.3
173.02962	1.0
173.06638	0.8
186.09747	33.7
187.09879	1.2
196.08134	2.0
197.06572	2.8
200.37823	0.8
204.10803	10.4
205.03900	1.1
214.09229	38.9
215.07651	3.5
217.05690	0.8
227.06050	0.8
232.05882	2.7
232.10274	100.0
233.05290	0.8
233.08560	1.8
233.10490	3.2
241.56767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04020	0.9
55.01712	0.5
55.01937	0.9
55.05304	3.8
55.05607	13.3
56.05113	0.7
57.03513	1.2
57.06894	0.5
57.07140	0.7
63.02764	0.5
64.72165	0.4
65.04027	0.6
66.22153	0.5
67.05215	1.9
67.05610	10.7
69.03520	0.8
69.06532	0.6
69.06754	2.5
69.07174	15.5
69.27009	2.2
70.06278	0.7
70.06696	5.0
71.05103	2.5
71.87808	0.5
73.06640	0.8
79.05611	3.7
81.06642	3.3
81.07170	29.0
82.06690	0.6
83.05096	2.0
83.08197	1.6
83.08734	13.3
84.08250	1.6
85.02989	0.7
85.06113	1.0
85.06655	4.5
91.05595	4.5
93.07153	6.6
95.05038	0.6
95.08723	34.7
97.06647	5.6
97.10286	6.0
98.09790	1.2
98.23538	1.0
99.08208	1.9
100.04149	0.5
101.06139	0.9
104.69688	0.5
105.07021	6.5
107.08587	3.3
109.06626	1.9
109.10277	3.5
111.08183	1.8
113.06026	0.5
113.09741	1.0
115.07642	0.8
119.08562	11.0
121.10156	3.2
123.08078	2.9
133.09161	1.1
133.10112	8.3
135.11681	4.9
137.09622	2.5
137.13240	6.9
141.09227	1.1
148.11182	3.0
149.13333	1.1
153.56705	0.5
159.60741	0.6
161.13242	20.3
164.06317	0.5
178.15904	1.2
179.14310	11.6
183.74609	0.5
196.16957	14.5
197.15341	4.7
197.17027	0.6
214.18002	100.0
215.18341	1.7
232.16919	7.1
232.19026	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.206
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
55.05499	0.4
56.99545	0.2
57.07083	0.3
67.04243	0.3
67.05495	0.4
69.07053	0.4
70.02078	0.3
70.02411	0.5
70.06593	3.7
79.05482	1.2
81.07047	1.1
83.04964	0.3
83.07351	0.7
84.08100	0.3
88.07638	0.5
91.05476	0.5
93.07033	0.7
94.06562	0.4
95.07324	0.9
95.08627	0.2
96.08132	0.5
97.06561	0.3
98.23348	0.4
105.07027	1.5
106.06577	0.4
106.07854	0.3
107.07307	0.4
107.08561	0.7
108.08116	1.3
109.06466	0.2
110.09691	0.6
119.08584	0.7
119.17469	0.2
120.07301	0.5
120.08093	5.0
121.08878	1.9
121.10161	0.4
122.09649	1.5
131.08536	0.4
133.08789	0.3
134.09639	1.6
135.10405	0.5
145.01198	0.5
145.10173	0.3
146.09650	1.5
147.10432	0.3
148.11192	2.9
149.12022	0.3
150.12779	5.7
160.11165	1.1
161.11967	0.3
162.12778	0.5
162.76018	0.3
174.12761	4.9
174.14169	0.3
175.13519	0.3
176.14308	0.4
188.14348	3.6
190.15889	3.2
191.07036	0.5
202.15926	2.0
203.16687	7.5
204.17311	0.4
232.20592	100.0
233.11656	0.7
233.20906	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44334	33.8
50.96480	37.0
53.80057	36.2
59.10073	35.4
70.27483	64.7
70.27820	77.5
81.62879	36.4
83.72957	35.9
84.08096	61.6
86.09674	77.5
87.18696	41.2
98.23450	39.9
101.00874	40.3
119.01926	84.5
133.03452	69.6
133.44881	37.7
161.02855	43.7
191.03958	58.9
233.06299	100.0
251.83154	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.092
Annotation	34M
Peak:m/z	Relative Intensity
55.01849	0.3
64.11636	0.3
66.92472	0.3
67.05492	0.4
68.96489	0.3
69.03397	0.7
71.04977	0.3
71.96825	0.2
73.31680	0.2
75.57497	0.2
79.05476	0.7
81.07046	0.5
91.05482	1.5
93.07031	0.6
95.04958	0.6
99.04453	0.4
104.04962	0.4
104.92889	0.3
105.05746	0.7
105.07031	1.5
106.06524	1.0
107.08568	0.4
109.06473	0.4
116.06232	0.3
117.06982	1.1
119.08566	0.9
121.06486	0.6
123.86941	0.3
128.06235	0.5
129.06993	0.8
130.07770	0.4
131.04955	0.3
131.08572	1.3
133.05238	0.8
133.06461	0.4
133.07550	0.3
133.10112	0.8
135.07988	0.4
141.06931	0.6
143.08536	0.4
144.09370	0.4
145.06488	0.6
145.07570	3.4
145.10104	3.2
146.05997	2.0
158.07343	0.5
159.08014	0.6
159.11694	2.1
160.06313	5.7
160.07579	0.6
161.07106	2.0
163.11255	0.3
169.10118	0.7
172.06290	0.7
173.07098	31.1
173.09595	2.9
174.05447	0.7
174.07913	1.7
175.07480	0.7
187.08698	0.6
187.11183	3.0
187.14786	0.6
191.08136	100.0
192.08467	2.1
195.51076	0.3
205.09714	4.2
205.11948	0.4
215.10638	2.4
215.14316	0.5
233.09200	56.5
233.11230	2.0
233.12782	1.7
233.15430	0.9
234.09503	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01871	1.3
55.05493	2.0
57.03433	2.4
59.09685	0.9
67.05504	5.4
68.99771	1.7
69.03425	6.7
69.07046	2.6
69.09081	0.9
71.04965	3.2
77.03933	1.2
79.05499	11.0
81.07044	5.3
82.91132	1.0
83.04952	1.4
84.66816	0.9
86.09684	2.1
90.73148	1.0
91.05476	13.1
93.07043	8.2
95.04969	6.8
95.08572	1.8
97.06520	1.3
99.04441	4.3
103.05450	2.5
105.07022	27.0
107.04950	10.8
107.08578	4.1
109.06528	4.5
111.04486	1.0
112.86192	1.0
115.05444	2.7
116.06204	1.2
117.07014	14.9
119.04957	4.6
119.08565	9.2
121.06517	10.4
121.10149	2.2
125.05983	1.7
128.06232	2.8
129.07025	7.4
130.07782	8.9
131.04950	5.1
131.08560	12.9
133.06453	3.3
133.10095	3.6
135.04431	1.2
135.08029	4.2
135.11668	1.5
137.05937	2.5
141.07014	4.7
143.08585	8.7
144.05722	1.7
144.09305	4.0
145.06470	7.8
145.10112	50.9
147.08067	2.3
147.11641	5.3
148.08797	1.2
149.05968	1.8
151.07500	1.2
154.07768	3.9
155.08505	2.0
158.07249	5.3
159.04376	7.9
159.07997	6.6
159.11694	15.6
160.05118	1.9
161.05956	3.0
161.09592	1.3
163.07559	1.6
163.11180	37.3
169.06448	2.2
169.10078	8.1
171.08041	1.3
171.11722	2.1
172.08829	3.1
173.09610	100.0
174.09927	1.2
175.07480	3.3
177.05420	2.7
182.07242	1.4
187.07558	3.5
187.11165	35.1
187.14684	1.1
189.09103	3.7
189.12700	3.6
191.07018	1.8
191.10672	5.3
197.09650	6.5
200.04649	1.5
205.12291	5.9
215.07127	5.0
215.10655	24.8
215.14069	1.6
233.04330	1.3
233.07993	2.8
233.11707	35.5
233.15324	2.3
233.17206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01880	2.6
55.05509	3.3
61.88973	0.9
65.03937	1.3
65.05842	0.9
67.05505	7.7
68.99786	1.1
69.03426	7.7
69.07073	5.1
69.15150	6.0
71.04996	2.9
73.90186	1.0
77.03932	1.3
78.68121	0.9
79.05495	12.2
81.07045	7.0
82.21102	0.9
83.04973	2.2
85.06546	1.5
86.53832	1.0
91.05479	15.5
93.07043	10.4
95.04980	8.3
95.08609	3.2
97.06518	2.9
99.04449	5.0
100.15520	1.1
103.05463	1.7
105.04503	1.2
105.07026	33.3
107.04958	13.1
107.08583	5.5
109.06493	5.0
111.04440	1.1
111.08088	3.9
113.05965	1.1
115.05480	3.0
117.07015	16.2
119.04962	8.9
119.08575	12.0
121.06516	11.3
121.10150	2.9
123.08068	1.7
125.06002	1.6
128.06195	5.0
129.07005	8.7
130.07808	10.0
131.04939	2.4
131.08569	15.0
133.02809	1.2
133.06458	4.9
133.10159	3.4
135.08055	6.8
135.11674	2.2
137.06010	2.7
141.06992	4.3
142.07767	1.6
143.08557	8.5
144.09338	3.5
145.06482	7.1
145.10118	62.4
146.09576	1.1
147.04315	1.0
147.08058	3.7
147.11697	6.2
148.08864	2.6
149.05957	2.0
149.09637	1.9
153.06989	1.5
154.07742	3.7
155.04906	1.3
155.08546	2.3
156.09348	1.3
157.10255	1.4
158.07268	4.4
159.04390	1.1
159.08084	4.9
159.11682	20.8
160.05154	1.0
161.05939	1.8
161.13409	1.1
161.86952	1.0
163.07515	2.1
163.11176	49.5
164.11499	1.4
165.09201	1.3
169.10126	8.4
171.11812	2.5
172.08836	3.0
173.09615	100.0
174.06845	1.2
174.10013	3.0
175.07513	1.5
175.11375	1.1
176.07034	1.7
177.12848	1.7
179.08502	2.2
182.07263	2.2
182.69728	1.5
187.07567	2.8
187.11165	36.8
189.09109	1.9
189.12762	3.7
191.03403	10.8
191.10529	6.2
191.14336	3.1
197.09596	7.2
205.12234	4.9
215.07239	2.6
215.10658	28.0
215.14157	2.0
233.06201	1.0
233.08099	4.2
233.11725	30.1
233.15250	14.0
233.17265	1.1
234.14879	2.7
234.18541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01120	4.7
61.55858	0.3
61.72757	0.3
62.99037	0.4
66.63532	0.3
67.05490	0.4
70.94154	0.6
73.06537	0.6
75.02672	1.3
77.00598	26.4
79.02153	3.1
91.02155	0.5
91.05789	0.4
93.03722	0.8
93.07015	0.3
95.01633	100.0
96.01580	1.0
96.99565	1.0
97.02065	0.7
99.02645	6.9
101.04214	3.8
103.02140	0.6
109.03179	0.4
111.77788	0.3
113.02677	5.5
117.03689	4.8
118.03201	8.3
119.01601	4.7
121.03167	5.2
144.04791	0.5
145.06786	19.3
145.50508	0.4
146.05983	0.9
147.04709	12.4
165.05811	2.1
177.05522	0.7
178.06203	0.5
189.09395	4.2
191.07262	1.1
233.12143	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.58162	0.4
55.05533	0.5
56.05032	18.1
56.25388	0.4
56.46104	0.4
57.03436	3.2
58.06599	3.8
60.35494	0.4
64.96886	0.4
69.14180	2.9
70.06580	0.7
72.08161	2.9
74.02419	0.5
74.06077	100.0
75.04486	1.0
75.06418	0.6
84.04507	3.7
84.08128	0.8
84.68996	0.5
86.06061	0.5
86.09701	25.3
87.04483	0.4
98.23424	0.9
101.07121	2.6
101.52997	0.4
102.05498	0.4
112.80236	0.4
115.60543	0.4
126.12687	0.5
130.06593	0.5
131.30176	0.5
132.10201	16.6
134.08153	0.9
142.12288	0.6
145.04929	0.5
148.07649	0.6
169.13394	1.8
172.09671	0.4
187.14417	8.4
196.91565	0.4
215.13893	3.3
233.15004	6.9
234.11188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
53.03946	0.5
55.01862	0.4
55.05509	11.3
67.05502	0.3
69.03416	0.6
79.05479	0.3
83.04974	100.0
84.05322	0.8
91.05469	1.4
93.07051	1.5
95.04967	0.4
96.70818	0.3
100.66154	0.3
100.85768	0.3
105.07053	0.7
107.08606	0.4
109.06529	0.4
113.41013	0.3
114.07412	0.3
121.06493	1.8
121.10120	1.6
123.08053	0.5
123.11708	0.5
129.06924	0.3
131.08553	5.5
133.00600	0.3
135.08038	1.0
149.09604	8.8
151.11150	2.4
159.08107	0.5
177.09091	18.7
178.09456	0.7
215.14362	0.3
228.95671	0.3
233.13138	0.7
233.15195	1.8
233.19164	0.3
233.25684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
53.03941	0.7
55.01870	2.1
55.05509	13.8
57.07070	0.4
59.05006	0.5
63.80507	0.4
66.81419	0.3
67.05486	1.6
69.03429	2.1
79.05485	1.5
81.07045	1.5
81.15550	0.4
82.19990	0.4
83.04976	100.0
84.05299	1.0
85.06512	0.7
91.05464	3.5
91.70638	0.4
93.07033	3.5
95.04955	1.9
95.08588	2.4
97.06530	0.4
98.22695	1.0
98.97546	0.5
104.51971	0.4
105.07024	4.1
107.08593	1.9
109.06517	1.6
109.10136	0.6
111.08072	0.5
116.06249	0.9
119.08554	2.0
121.06498	4.1
121.10142	2.4
123.08052	6.3
123.11679	0.9
129.06996	0.8
131.08559	9.7
133.10103	1.5
135.08049	1.3
137.09610	0.7
143.08566	0.5
144.22807	0.4
145.10054	1.3
146.06067	0.6
147.11653	2.2
149.09602	15.7
151.11160	2.9
159.08044	2.8
159.11630	0.4
163.11125	0.5
175.11212	0.5
177.09099	18.0
178.96097	0.5
187.14819	1.5
205.15874	2.5
215.14240	0.6
216.06310	0.4
233.13347	1.0
233.15341	27.3
234.15782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03956	0.8
55.01862	0.9
55.05505	6.4
60.14236	0.5
67.05496	2.7
67.32784	0.4
69.03417	1.0
69.07064	0.5
79.05495	1.2
81.07053	2.5
83.04973	43.4
91.05479	1.6
93.07036	3.7
95.04955	1.1
95.08600	5.0
105.07021	4.3
107.04972	0.5
107.08595	1.0
109.06463	2.5
109.10130	2.6
111.68262	0.5
117.07022	1.3
119.08547	2.2
121.06488	1.6
121.10135	1.3
123.08055	100.0
124.08384	0.9
125.09634	0.7
127.88827	0.4
129.77954	0.5
131.08566	3.8
133.10114	2.6
135.08054	0.8
136.38312	0.6
137.09607	1.7
140.49364	0.5
145.10103	2.6
147.11653	1.4
149.09604	4.3
151.11172	0.9
157.10031	0.6
159.08046	1.3
159.11673	0.7
161.13025	0.5
163.11266	0.5
165.09119	1.3
173.09547	0.8
173.13240	0.8
175.11154	0.6
177.05417	1.3
177.09084	4.1
178.06285	0.7
179.02092	0.5
187.11197	0.6
187.14836	2.0
191.10678	0.7
197.13109	0.5
205.15817	1.3
215.14354	2.2
222.67694	0.5
233.15327	19.4
248.84152	0.5
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	Turmeronol B
Peak:m/z	Relative Intensity
53.03951	0.7
53.93142	0.5
55.01873	2.9
55.05507	16.3
57.07065	1.2
67.05506	3.2
69.03425	2.0
69.07047	0.9
74.01637	0.6
77.00580	0.7
79.05482	1.7
79.08694	0.5
81.07049	3.0
83.04974	100.0
84.05314	1.3
85.06522	1.0
91.05468	3.6
93.07031	2.9
95.01640	1.8
95.04970	2.2
95.08603	3.9
98.22656	1.8
103.81450	0.5
105.07025	4.5
107.04972	0.5
107.08576	2.6
109.06503	2.8
109.10135	1.7
116.06166	0.6
116.98616	1.0
119.08570	1.7
121.06506	2.6
121.10150	2.3
123.08058	63.1
123.11690	1.3
124.08431	0.8
131.08551	8.8
133.10106	1.9
135.08026	0.9
137.09587	2.0
145.10126	1.5
146.06026	0.8
147.11632	3.5
149.09599	12.8
151.11203	2.9
159.08017	2.0
165.09102	1.3
177.05388	0.7
177.09099	16.2
178.96039	0.9
187.14789	1.1
205.15833	1.8
215.14255	0.8
233.15337	36.8
250.00638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
53.93142	0.5
55.01873	2.9
55.05507	16.3
57.07065	1.2
67.05506	3.2
69.03425	2.0
69.07047	0.9
74.01637	0.6
77.00580	0.7
79.05482	1.7
79.08694	0.5
81.07049	3.0
83.04974	100.0
84.05314	1.3
85.06522	1.0
91.05468	3.6
93.07031	2.9
95.01640	1.8
95.04970	2.2
95.08603	3.9
98.22656	1.8
103.81450	0.5
105.07025	4.5
107.04972	0.5
107.08576	2.6
109.06503	2.8
109.10135	1.7
116.06166	0.6
116.98616	1.0
119.08570	1.7
121.06506	2.6
121.10150	2.3
123.08058	63.1
123.11690	1.3
124.08431	0.8
131.08551	8.8
133.10106	1.9
135.08026	0.9
137.09587	2.0
145.10126	1.5
146.06026	0.8
147.11632	3.5
149.09599	12.8
151.11203	2.9
159.08017	2.0
165.09102	1.3
177.05388	0.7
177.09099	16.2
178.96039	0.9
187.14789	1.1
205.15833	1.8
215.14255	0.8
233.15337	36.8
250.00638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hofmeisterin III
Peak:m/z	Relative Intensity
53.03938	0.6
55.05511	11.1
57.07059	0.6
59.04995	2.2
62.98262	0.6
66.44601	0.4
69.07037	0.5
70.00171	0.6
70.00508	1.0
74.07311	0.5
79.05468	0.5
83.04979	100.0
84.78802	0.5
85.06554	1.4
91.05476	1.3
93.07076	1.2
95.08598	1.0
98.22760	0.6
98.97588	0.8
103.05483	0.6
105.07030	2.3
107.08600	0.8
116.98608	0.5
119.08568	0.5
121.06544	0.8
121.10149	0.8
131.08574	1.5
133.10153	1.3
136.94972	0.8
142.07759	0.8
145.10161	1.9
146.06006	1.0
149.09624	1.1
159.08063	0.7
159.11688	1.0
161.09789	0.6
162.47928	0.6
173.09804	0.6
174.05473	0.5
175.11136	3.9
177.05505	1.3
178.06284	1.5
178.96062	1.8
186.95296	0.6
187.14848	1.2
191.07140	1.0
191.10638	0.7
215.14348	1.7
224.02203	0.5
233.09207	0.6
233.13197	0.7
233.15314	4.8
234.09344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1487
Annotation	Crispine A
Peak:m/z	Relative Intensity
53.06300	0.6
55.05508	1.0
57.03426	0.9
59.38135	0.5
63.80684	0.6
63.82031	0.6
79.05481	1.2
81.07043	2.8
93.80135	0.6
94.04024	0.9
117.05762	1.0
118.06535	4.8
119.03563	1.2
120.08096	1.4
130.06485	0.6
131.07294	1.0
132.04419	1.0
132.08083	8.2
133.05255	0.8
133.08893	6.4
134.09660	1.2
136.06184	50.8
137.04532	1.0
144.08067	0.9
146.06000	19.5
146.09612	0.8
148.07539	0.8
148.11214	2.3
160.07559	2.0
161.08322	3.1
162.07907	0.6
162.09105	3.4
162.12788	3.1
172.11163	0.7
174.09114	0.8
176.07024	0.9
176.10693	10.2
177.11496	13.4
190.08632	25.9
190.12254	12.2
204.10236	2.4
205.10986	2.1
206.15466	0.9
216.13855	1.0
234.15086	100.0
235.15181	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	235.111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.6
57.07074	5.3
61.01146	12.8
67.05509	0.6
69.03387	0.6
69.86682	0.6
70.06589	1.1
70.63291	0.5
71.42202	0.6
72.08134	0.7
79.05474	0.6
81.07036	0.6
84.04498	35.3
85.02895	1.0
85.06538	0.5
87.02696	1.8
89.04250	100.0
91.05463	0.8
93.07030	0.5
96.04474	2.5
97.19102	0.5
98.06051	5.9
102.05548	0.9
105.07061	0.7
106.06889	26.6
124.07591	10.1
130.05011	5.0
169.48494	0.5
172.07909	8.7
179.10695	3.6
187.10754	0.7
217.12555	1.0
218.08449	19.3
235.11105	9.2
235.16895	12.4
236.12872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
53.03942	3.4
55.01862	0.9
55.05520	4.4
57.03421	0.6
57.07074	2.6
63.78627	0.8
65.03941	1.3
67.05502	26.8
69.03429	16.2
69.07063	4.2
69.54711	1.5
69.55112	1.5
71.04996	1.5
76.83401	0.6
77.03927	2.7
79.05490	38.8
81.07055	15.9
83.04972	1.5
83.08620	2.5
84.78429	0.6
85.06537	1.9
85.97735	0.6
91.05478	43.2
91.77381	0.6
93.07041	100.0
94.07348	1.0
94.30443	0.6
95.04967	17.2
95.08603	11.7
97.06522	1.7
97.10163	1.1
99.08102	0.8
105.04519	6.3
105.07034	8.4
107.04948	1.4
107.08586	21.4
109.06532	2.0
109.10162	3.8
117.06982	2.0
119.06055	0.9
119.08571	9.0
121.06489	0.9
121.10138	28.7
123.08064	1.7
123.11655	0.8
129.07028	1.2
131.08582	4.0
132.00699	0.8
133.10130	11.2
135.08052	2.6
135.11693	6.6
137.09618	0.9
143.08527	0.7
145.10107	2.0
147.08022	0.8
147.11655	1.7
149.09579	1.1
151.11166	0.9
153.09093	1.0
157.10161	1.7
161.09599	1.2
161.79684	0.7
171.11708	2.0
173.13223	1.0
175.11172	1.4
175.14795	4.0
179.10623	1.2
182.76779	0.6
189.12743	1.3
189.16380	2.2
195.11971	0.7
199.14830	2.5
217.15904	3.3
235.13179	2.4
235.16907	26.1
235.20544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1281
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
58.90474	0.2
70.06568	0.3
71.45682	0.2
91.05495	0.2
93.64402	0.2
93.95104	0.2
97.02885	0.4
105.07022	0.5
117.05680	0.2
120.08074	0.2
128.06264	0.2
132.08089	0.7
133.08882	0.6
133.10109	0.7
143.08571	0.4
144.08070	0.6
145.08861	0.9
147.04312	0.2
148.11197	3.9
158.09631	2.0
159.10451	1.8
160.11177	1.3
161.12048	1.2
174.12778	29.0
175.13107	0.7
188.10690	22.1
189.11098	0.5
190.08646	1.0
190.12276	0.6
191.09476	1.0
202.08623	0.3
205.10927	0.4
206.11754	40.3
207.12050	0.7
218.11743	3.8
236.12794	100.0
237.13135	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	2.8
55.02995	0.8
55.05502	1.3
57.03434	5.8
57.07065	0.8
59.05003	1.0
61.02921	11.4
62.52301	0.7
69.03426	19.5
69.60257	2.6
71.04984	2.5
72.08147	6.0
73.02901	5.1
79.05479	0.9
80.04992	1.7
81.03416	7.7
85.02898	100.0
87.04459	2.2
91.03949	6.8
91.05479	0.8
91.17887	0.8
93.07042	1.2
97.02887	20.6
97.07652	4.4
99.04449	5.0
101.02369	1.0
103.03957	1.3
106.02922	2.6
109.02862	9.1
109.59721	0.7
114.10284	15.7
115.03973	1.2
117.90424	0.8
121.06524	1.5
124.03943	15.8
127.03900	17.9
142.70654	0.7
145.04948	17.2
163.06024	1.9
220.10759	3.7
237.13316	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	237.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02991	4.9
55.05499	5.3
60.05633	1.0
67.05508	0.6
69.07066	0.9
69.39150	0.6
69.70078	2.3
72.05636	3.2
72.08147	37.7
78.03436	2.5
79.05481	1.3
80.05010	10.0
81.07048	1.8
91.05453	0.8
93.07024	1.0
95.04925	0.5
95.08569	0.9
96.04482	1.0
97.07639	24.5
106.02899	11.5
109.10131	0.6
111.04432	0.6
114.10278	100.0
115.10621	0.7
120.08083	2.6
121.03972	1.7
121.06477	1.0
124.03939	95.8
126.01019	1.3
130.83461	0.6
131.04865	0.9
135.08070	1.1
139.04997	4.9
140.50735	0.6
163.07558	0.6
168.74298	0.6
175.09460	1.7
177.05444	0.6
178.08585	1.8
192.10023	0.6
193.10519	2.0
220.10802	16.4
237.13420	75.0
238.08540	0.7
238.13785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03949	7.3
55.05520	22.3
55.79579	7.7
56.05027	7.8
62.31168	6.3
67.05502	37.1
69.03418	6.7
69.07066	47.2
79.05493	21.0
81.03432	6.5
81.07065	41.2
82.48677	5.8
83.08643	10.8
91.05007	5.9
91.05452	34.6
93.07047	100.0
95.04942	9.4
95.08594	35.3
97.06540	12.2
104.07071	13.3
105.07043	18.4
107.08594	67.1
109.06505	12.6
109.10161	53.4
111.08056	8.8
114.10321	12.2
117.06975	9.3
118.06489	6.2
119.08603	18.9
121.06570	11.9
121.10109	17.1
123.11744	6.4
124.03967	18.7
129.50380	7.5
131.08589	14.6
133.10202	18.6
134.02681	8.1
135.08090	10.3
135.11678	59.0
144.33824	6.1
145.10120	21.7
147.11684	9.4
149.09578	10.2
158.00932	6.6
159.11707	14.3
161.63191	5.9
163.11157	9.7
173.30458	6.2
177.05453	7.6
177.12735	7.6
181.10184	6.6
182.06964	6.0
184.33414	6.3
191.14351	7.3
193.10141	10.0
201.16516	10.0
219.13789	15.4
219.17477	25.3
237.08920	6.7
237.14789	12.0
237.16675	11.2
237.18561	13.4
245.77365	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	237.1847
Annotation	[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
Peak:m/z	Relative Intensity
53.03923	0.4
55.05498	0.9
57.03415	0.6
60.92429	0.4
60.92738	0.3
67.05499	2.6
67.33738	0.4
69.07063	1.4
70.68485	0.7
77.00933	0.4
79.05480	1.3
81.07042	2.5
83.04981	0.5
83.08601	0.9
88.22740	0.4
91.05460	1.0
93.07051	2.8
95.08582	2.6
97.06525	5.6
105.07003	3.1
107.08588	2.9
109.06492	1.1
109.10136	3.4
111.08071	17.1
119.08615	1.9
121.06497	0.7
121.10119	3.8
123.08031	1.2
123.11686	1.4
131.08524	0.6
133.10112	0.6
135.08046	4.7
135.11679	3.1
137.09618	1.1
143.08505	0.5
145.10101	1.3
147.11676	5.7
149.02310	0.6
149.09625	1.0
157.16624	0.4
159.11644	1.7
161.09586	1.5
161.13245	0.8
163.11169	10.1
173.13210	0.5
175.14806	0.6
176.11992	1.0
177.12743	0.6
177.16473	0.5
189.12735	13.1
190.13084	0.5
195.11755	0.6
201.16467	1.0
204.15077	17.2
205.15378	0.6
209.13228	0.6
219.17421	100.0
220.17764	2.5
237.13040	0.7
237.16469	0.8
237.18484	3.9
255.14352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
Peak:m/z	Relative Intensity
55.05509	1.4
57.03426	0.5
57.07071	0.6
58.62899	0.4
65.39336	0.4
67.05503	2.9
69.03432	0.4
69.07049	1.1
79.05489	1.4
81.07054	1.7
83.04977	0.7
86.16374	0.4
91.05471	1.2
93.07016	2.8
95.04974	0.9
95.08607	2.3
97.06536	7.8
105.07027	3.5
107.08588	3.6
109.06509	1.1
109.10146	3.2
110.28692	0.4
111.08080	20.4
114.10297	0.8
117.07008	0.7
119.08548	2.1
121.06486	1.4
121.10144	3.0
123.08045	1.7
123.11698	1.5
124.03946	0.9
126.63877	0.4
131.08508	0.4
133.10112	1.1
135.08049	4.9
135.11697	3.4
137.09610	1.0
145.10126	2.1
147.11685	6.2
149.09607	0.7
149.13347	0.4
159.11687	1.9
161.09656	1.4
163.11165	9.8
164.11983	0.8
173.13257	0.5
176.11903	0.8
177.12784	1.0
177.16360	0.4
189.12729	15.0
190.13203	0.6
194.82515	0.4
201.16365	1.4
204.13141	0.9
204.15092	19.0
219.17430	100.0
220.17789	2.5
237.14830	0.6
237.18427	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03948	4.1
55.05507	19.9
57.03428	3.7
57.07067	9.8
67.05496	44.3
69.03436	4.5
69.07069	40.7
69.77151	5.2
69.77538	7.8
70.76359	3.5
72.08132	5.0
74.50182	3.8
79.05490	38.3
81.07053	75.5
83.04976	7.8
83.08601	14.0
83.09044	3.3
84.04451	3.2
85.02905	3.2
85.06538	4.3
87.04482	3.6
91.05479	32.1
93.07047	100.0
95.04950	7.8
95.08026	6.7
95.08604	96.1
97.06528	14.9
97.10172	8.1
98.97528	3.5
104.07042	3.7
105.04462	3.7
105.07009	41.1
107.08591	66.6
109.06500	10.7
109.10157	52.5
111.08074	7.4
111.11684	7.1
114.10284	11.6
117.07011	15.8
119.08572	41.0
121.06495	7.4
121.10135	45.9
123.08037	11.5
123.11691	10.4
124.03887	9.2
131.08580	21.0
131.28575	3.5
133.10107	27.9
135.08044	9.9
135.11703	64.8
137.09616	10.1
144.09334	4.0
144.76370	4.0
145.10110	43.4
147.11673	12.3
149.09612	7.6
149.13234	9.4
151.11159	7.2
155.10652	6.6
156.44601	3.2
159.11682	28.0
161.13237	18.7
163.11165	15.9
163.14847	3.9
165.12689	4.1
173.13290	13.4
175.07545	4.3
175.14812	30.0
177.12691	7.9
177.16368	13.6
181.12230	11.5
187.92841	3.4
189.86098	3.6
191.17903	18.8
192.06618	4.6
201.16364	58.0
202.43008	4.3
219.13963	4.2
219.17439	51.5
232.10970	4.4
234.62515	3.5
237.08755	3.7
237.18492	90.5
238.13818	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	238.0985
Annotation	(R)-Ketamine
Peak:m/z	Relative Intensity
50.04277	0.4
82.29691	0.5
141.07005	2.6
142.07742	1.4
145.06441	0.8
152.06161	3.4
165.06982	3.2
166.07774	2.6
167.08537	6.5
168.05714	1.5
169.06480	1.6
176.06152	0.6
177.06949	1.0
178.07732	0.5
180.05681	1.1
181.06430	1.9
181.10114	1.9
182.07281	2.6
182.10826	0.5
183.08058	6.4
190.07751	0.6
191.08583	0.7
194.07275	2.0
195.08035	59.4
196.08269	2.2
207.83667	0.5
209.09598	23.8
210.10365	5.5
222.06734	1.1
223.05321	0.8
223.07495	16.0
237.09097	2.8
238.09853	100.0
239.10410	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01866	1.4
55.05510	2.1
55.96696	0.4
57.07070	0.5
64.50645	0.4
65.03939	0.7
67.05492	1.5
68.79886	0.4
69.03414	1.4
69.07063	2.5
70.09282	1.0
73.75550	0.4
77.03918	0.8
79.05492	4.2
81.03411	5.6
81.07053	3.2
91.05473	5.4
93.07040	2.7
95.04973	3.4
95.08601	0.6
98.22693	0.5
99.04430	1.3
103.05436	1.0
104.89672	0.4
105.06346	0.7
105.07027	11.0
107.08586	1.6
109.06509	0.8
115.05447	1.6
117.06989	2.2
119.04919	0.7
119.08577	11.5
121.06532	1.0
121.10171	0.6
128.06207	2.9
129.06996	5.0
130.07768	0.7
130.49174	0.4
131.04912	3.7
131.08568	3.1
133.06491	4.7
133.10112	2.1
141.06979	8.9
142.07776	4.8
143.08563	6.7
145.06477	3.5
145.10146	2.4
147.08034	1.7
152.06165	0.9
153.06975	6.9
154.07777	8.4
155.08542	21.9
156.09322	7.0
157.06572	0.9
157.10124	10.3
159.07983	0.7
159.11647	0.4
165.06993	8.5
166.07758	3.4
167.08554	12.1
167.09967	0.8
168.05682	0.6
168.09343	6.9
169.06448	3.0
169.10117	33.7
170.07266	0.9
170.10901	2.7
171.08015	1.3
171.11658	6.5
174.10426	0.4
178.07771	2.7
179.08554	6.6
180.09315	6.6
181.06531	2.9
181.10114	19.8
182.07317	3.7
182.10896	9.9
183.08064	7.1
183.11684	13.1
184.08820	1.7
190.07855	0.4
191.08548	3.8
192.09285	1.4
193.10133	4.3
194.10876	1.3
195.08076	5.5
195.11673	17.5
196.08792	5.0
196.12459	17.0
197.09607	18.9
197.13242	12.6
198.10165	1.2
205.10063	1.6
206.10883	7.7
209.09586	7.7
209.13246	3.6
210.10405	4.3
210.13971	3.8
211.11261	7.7
211.14796	27.9
212.15146	1.4
221.09602	1.3
221.13229	7.0
223.11148	1.3
224.08295	1.2
224.11926	10.5
224.15430	0.8
239.10806	10.7
239.14284	100.0
239.17776	10.2
240.11200	0.8
240.14662	3.1
244.84676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79657	1.5
62.97937	1.9
62.98260	36.8
69.14721	1.4
70.57639	2.7
80.21539	1.4
80.45443	1.4
84.02123	1.2
85.18125	1.5
89.06030	36.7
91.45670	1.3
96.09283	1.4
104.99261	2.7
118.40416	1.6
133.08578	12.4
139.35126	1.4
151.05669	1.3
156.94873	12.3
175.50050	1.5
180.89491	3.5
216.59041	1.4
239.08893	100.0
240.09280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.15086	2.5
52.38238	2.3
55.05505	33.2
55.23575	2.1
56.96558	2.5
57.07064	24.0
59.04993	35.1
67.05506	23.2
69.07063	44.0
70.64371	2.9
71.04992	7.4
73.06559	2.2
79.05495	13.5
81.06562	4.3
81.07050	83.0
83.05000	2.2
83.08619	23.1
85.06530	8.2
91.05482	7.9
93.07031	24.5
95.04961	4.1
95.08601	100.0
97.06523	10.9
97.10175	18.4
99.08086	4.8
105.07013	14.6
107.08581	42.7
109.06506	3.7
109.10141	45.3
111.08080	9.4
111.11720	14.6
113.06072	2.0
115.31207	2.1
119.08567	25.3
121.10135	30.2
123.08115	5.9
123.11710	37.5
125.09620	9.5
128.88715	2.2
133.10123	24.3
135.11674	26.1
137.09686	3.8
137.13245	83.1
139.11165	24.1
143.10663	9.1
147.11693	26.0
149.13251	15.3
149.20093	2.7
151.11180	9.3
151.14780	2.3
153.12617	3.0
161.13252	13.8
163.14809	25.7
165.12769	5.2
175.14854	5.0
177.16374	9.9
193.19542	5.7
203.17931	50.0
221.18967	52.9
239.08920	4.5
239.17924	3.7
239.20036	31.7
257.06989	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.67071	4.9
55.05507	12.7
56.05031	18.2
57.07068	9.5
57.40810	4.7
59.04996	17.3
66.11346	4.6
67.05510	13.1
69.07060	21.9
71.01861	7.2
71.04987	9.1
77.83493	5.1
79.05490	7.9
81.07050	48.6
83.08590	10.8
86.09700	100.0
91.05466	8.4
93.07031	24.4
94.04841	5.5
95.04990	5.7
95.08601	57.1
97.06544	7.8
97.10129	5.1
104.68468	4.7
105.07008	11.5
107.08584	37.2
109.06554	6.4
109.10170	23.6
111.08152	6.2
111.11723	8.5
112.38647	5.2
119.08568	21.3
121.10164	12.9
123.11661	12.8
126.05510	23.6
127.11288	5.0
133.10120	19.1
135.11708	29.6
137.13254	39.8
138.62347	4.9
139.11174	10.0
147.11636	10.5
149.13292	8.3
151.11185	6.9
161.13255	12.2
163.14861	12.1
169.10062	6.2
194.82036	4.8
199.84938	5.6
203.17897	25.8
221.18961	25.4
226.69421	5.0
239.08855	31.1
239.20074	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	240.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.05512	0.2
56.96570	0.2
57.07061	0.2
62.53588	0.2
63.61380	0.1
67.05495	0.2
68.05043	0.2
70.06594	0.3
71.08670	0.2
72.08146	0.2
78.03448	0.6
79.04216	0.2
80.05011	2.9
81.07057	0.2
84.08098	0.1
85.51678	0.1
93.07047	0.2
93.73862	0.2
96.04494	1.9
98.97573	0.8
104.29465	0.2
106.02897	0.4
107.06110	0.1
116.98600	0.6
119.01958	0.2
124.03947	100.0
125.04288	1.0
125.07159	0.2
131.58298	0.1
132.08067	0.2
134.99655	0.3
138.92227	0.1
150.05536	0.2
194.11690	0.3
240.05013	17.2
240.08954	0.6
240.12019	0.4
240.23112	0.2
241.05252	0.4
258.99667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75534	0.5
52.11752	0.5
55.05509	1.0
56.05020	1.4
67.05509	0.7
69.07060	0.8
70.06596	4.2
72.04494	1.3
74.06075	0.8
77.15034	0.5
79.95294	0.5
81.07045	1.7
81.09708	0.6
93.07017	1.3
95.08602	1.6
96.08138	0.6
107.08548	0.5
108.08099	0.7
110.09652	0.5
112.07613	0.6
122.09665	0.9
124.07586	4.8
124.11294	0.6
126.09140	0.8
128.02611	0.6
128.10706	0.5
135.11711	1.0
136.11182	2.5
137.13152	0.5
138.09155	1.2
139.09926	1.1
140.10684	0.6
142.12216	1.5
142.45599	0.5
150.12743	1.6
152.10704	2.0
153.11473	0.9
154.12283	2.0
166.12260	5.3
167.13074	2.0
168.13872	0.8
175.09779	0.6
194.15381	1.4
196.16960	100.0
197.17325	2.0
198.18533	1.1
209.05974	0.8
224.11766	0.7
240.10063	0.8
240.14922	2.6
240.19566	52.6
241.19940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90470	0.3
51.54416	0.3
53.03946	2.8
55.01865	3.1
55.05516	0.8
57.03435	4.2
59.05023	0.3
61.02933	0.4
65.03942	0.5
65.38799	0.3
66.40960	0.3
67.01862	0.4
67.05505	1.0
69.03427	100.0
70.02163	1.1
70.03770	0.8
71.01354	1.4
71.04993	2.3
73.02916	3.4
75.59550	0.3
79.05502	1.1
81.03415	16.1
83.01338	0.9
83.04975	2.3
85.02901	9.1
87.04461	1.2
91.05466	1.3
93.03434	0.4
93.07005	0.6
95.01328	1.4
95.04972	2.1
97.02890	68.5
98.03205	0.5
98.23353	0.4
98.97614	0.5
99.04452	7.3
101.02354	0.8
103.03916	0.4
103.05460	0.6
107.04945	1.2
109.02879	5.6
111.04431	1.4
113.02368	0.9
115.03931	5.0
119.04932	0.4
121.06495	0.9
123.04429	1.9
125.02341	1.0
127.03913	9.9
131.04938	0.7
135.04391	1.1
137.02289	0.5
139.03873	0.6
143.03372	0.5
145.04959	1.3
148.62827	0.4
149.05968	1.0
151.03879	0.9
153.05449	0.3
155.03407	0.4
167.57892	0.3
173.04440	1.3
177.05478	0.6
180.96852	0.4
193.04950	0.8
195.06493	0.7
198.06621	0.6
211.06006	1.8
213.07259	0.4
213.09094	0.5
223.05939	0.9
241.06940	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46571	0.3
56.96563	4.4
57.31987	0.2
58.06596	18.3
58.12661	0.2
70.02409	0.8
70.06582	2.6
71.95251	0.3
72.08146	0.5
81.03405	0.4
83.04987	0.3
84.04494	0.3
84.08137	9.0
85.06528	0.4
95.06040	0.2
97.02850	0.3
98.06068	0.4
98.09686	2.0
98.97576	23.8
101.14871	0.2
106.43088	0.2
114.05500	0.5
116.07097	0.4
116.10709	0.3
116.98616	16.5
119.01893	0.7
124.07574	0.2
126.05476	0.4
126.09129	0.4
128.10725	3.6
134.99652	7.7
140.00137	0.3
144.10181	1.2
150.83929	0.2
152.37938	0.3
153.00711	0.8
156.97449	0.5
158.99712	0.3
164.07788	0.3
168.10176	1.2
177.00943	1.0
186.04320	0.4
191.97284	0.3
196.09685	5.4
209.08942	1.0
213.15987	0.5
217.08470	0.4
219.01942	2.2
219.03514	0.2
234.99741	0.4
240.98666	0.5
241.15443	100.0
242.15826	2.2
251.95166	0.2
258.59726	0.3
258.99719	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	241.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01856	1.7
55.05506	4.3
57.03416	0.8
57.07068	1.2
59.04984	0.5
65.03919	0.6
67.05503	3.6
69.03419	1.3
69.07067	3.8
70.92864	0.8
71.04986	1.2
73.44853	0.5
79.05484	5.1
81.03414	12.2
81.07054	4.8
83.04955	1.1
83.08609	2.9
91.05476	7.5
93.07044	5.8
95.04962	7.6
95.08598	6.3
97.06535	0.8
98.97575	1.2
105.07021	10.6
107.04949	1.5
107.08592	7.1
109.06519	7.9
109.10146	1.8
111.57162	0.6
115.05439	1.6
116.98624	1.3
117.06993	4.1
119.08578	10.6
121.06480	2.1
121.10117	2.3
128.06216	9.8
129.06993	8.1
131.04929	1.6
131.08559	7.4
133.06485	3.6
133.10124	5.5
134.99673	0.5
135.08061	4.5
135.11638	0.5
141.06956	3.8
142.07780	6.4
143.08557	39.0
144.09268	1.7
145.06477	7.4
145.10114	8.2
147.08067	4.3
147.11688	3.2
153.06963	2.0
154.07753	0.7
155.06047	0.7
155.08557	7.1
156.09357	6.9
157.06430	2.3
157.10118	19.1
158.10941	0.9
159.08076	3.9
159.11696	14.2
160.08788	1.9
160.12460	1.7
161.09619	1.0
165.07008	2.7
166.07780	2.0
167.08545	3.7
168.09334	2.6
169.06458	1.2
169.10114	6.7
170.07234	1.7
170.10896	2.5
171.08047	13.0
171.11684	18.1
172.08846	1.0
173.09656	2.3
173.13217	4.2
179.08572	2.1
180.09370	1.4
181.10144	6.7
182.10918	3.1
183.08060	3.1
183.11667	7.7
184.08791	2.2
184.12375	1.1
185.09619	13.9
185.13239	6.4
186.10297	1.4
193.10089	3.3
194.10861	1.9
194.92616	0.5
195.11691	4.4
196.12413	0.6
197.09564	2.6
197.13252	8.2
198.10393	3.4
198.13982	1.4
199.11188	10.9
199.14844	6.0
208.12408	2.9
211.07632	0.8
211.11195	3.9
211.14792	1.6
212.11937	1.6
212.93416	0.8
213.12796	8.6
213.16342	13.7
223.11255	1.0
223.14804	7.2
226.09935	1.0
226.13477	7.1
226.17032	0.6
241.04948	1.0
241.12325	12.8
241.15858	100.0
241.19406	15.3
242.16199	2.2
242.28287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1585
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.03929	1.7
55.01864	2.0
55.05508	4.3
57.03429	0.6
67.05496	3.6
67.36916	0.4
68.11259	0.5
69.03406	1.5
69.07063	3.9
69.49673	1.0
69.50078	1.6
71.22101	0.5
75.89498	0.4
79.05495	4.5
81.03412	26.2
81.07047	3.8
83.04963	1.5
83.08591	0.9
91.05465	7.0
93.07041	4.6
95.04964	7.2
95.08594	5.6
97.06494	0.5
103.05459	0.7
105.07021	9.7
107.04941	1.2
107.07904	0.9
107.08577	7.5
109.06506	7.5
109.10155	2.5
115.05457	2.4
117.07010	4.6
119.04884	0.7
119.08573	14.2
121.06474	2.1
121.10114	2.2
128.06207	10.8
128.07076	0.3
129.06992	8.6
130.07765	0.8
131.04903	2.0
131.08553	7.3
133.06511	3.8
133.10103	5.7
135.08060	4.5
141.06953	3.8
142.07768	8.3
143.08551	43.4
144.09253	1.9
145.06483	12.2
145.10115	10.6
147.08017	3.8
147.11682	5.2
152.06158	0.5
153.06947	2.0
154.07751	1.2
155.06006	0.9
155.08548	7.5
156.09341	7.0
157.06496	2.8
157.08849	1.1
157.10121	19.1
157.11400	1.1
158.07225	0.7
158.10771	1.4
159.08069	5.5
159.11678	18.3
160.08836	7.3
160.12456	3.2
161.09547	1.7
165.06985	2.5
166.07791	1.9
167.08548	5.1
168.09335	1.1
169.06459	1.6
169.10114	8.9
170.07272	1.6
170.10867	2.5
171.08058	16.5
171.11676	18.8
172.08768	1.4
173.09654	2.5
173.13239	5.5
178.07753	0.9
179.08533	2.8
180.09290	2.3
181.10117	6.3
182.10863	2.3
183.08078	3.0
183.11679	7.4
184.08807	2.6
184.12453	1.0
185.09612	13.7
185.13213	5.2
186.10323	1.7
193.10175	4.5
194.10869	1.5
195.11665	4.9
196.12531	0.7
197.09557	2.9
197.13246	7.6
198.10379	3.7
198.14017	1.6
199.11159	13.1
199.14777	5.5
208.12514	3.3
211.11147	4.9
211.14774	1.8
212.11923	1.6
213.10728	0.5
213.12762	9.1
213.16342	14.1
223.11397	0.9
223.14818	7.2
224.15218	0.6
226.09767	0.8
226.13469	7.6
241.12263	23.0
241.15843	100.0
241.19353	9.0
242.12389	0.6
242.16191	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	241.1585
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.03930	1.7
54.55507	0.6
55.01877	1.3
55.05504	3.5
57.03413	1.5
58.22967	0.6
67.05495	3.5
69.03415	2.2
69.07070	5.2
70.61238	1.3
71.04980	0.6
77.03929	1.0
78.98719	0.5
79.05487	8.0
79.87891	0.6
81.02963	1.1
81.03413	18.1
81.07052	4.5
83.04971	1.0
83.08614	1.4
88.07643	0.6
91.04941	0.8
91.05476	10.3
93.07038	8.2
95.04969	5.1
95.08591	4.7
95.80331	0.7
104.06227	0.7
105.06351	0.9
105.07024	12.1
107.04962	1.1
107.08589	13.3
109.06513	5.5
109.10145	2.5
115.05422	2.1
116.06171	0.9
117.07020	5.5
119.04903	0.5
119.06057	0.6
119.08571	24.1
119.70305	0.5
121.06480	1.9
121.10144	2.8
128.06206	7.1
129.06992	9.7
130.07770	0.7
131.04924	1.7
131.08559	7.6
133.06493	2.9
133.10110	7.4
135.08037	4.6
141.06993	4.8
142.07770	10.5
143.07416	1.2
143.08548	24.6
144.09291	2.5
145.06468	7.8
145.10118	10.3
147.07974	2.7
147.11655	3.2
152.06218	1.2
153.06958	1.9
154.07768	1.5
155.06065	0.8
155.08537	10.5
156.09322	10.8
157.06488	3.2
157.10114	32.0
158.07253	0.7
158.10844	1.9
159.08076	4.0
159.11676	16.9
160.08824	2.4
160.12506	2.9
161.09628	0.9
165.06963	3.1
166.07787	2.2
167.08528	7.6
168.09372	2.8
169.06436	1.4
169.10115	9.5
170.07269	2.2
170.10902	2.6
171.08044	11.2
171.11684	24.8
172.08743	1.0
172.12263	1.0
173.09595	1.5
173.13232	4.0
179.08467	3.6
180.09267	1.7
181.10117	7.3
182.10880	8.4
183.07973	3.8
183.11682	7.6
184.08821	2.2
184.12427	2.8
185.09605	13.3
185.13222	6.1
186.10248	1.4
193.10110	5.9
194.10883	1.6
195.11682	4.8
197.09596	4.1
197.13231	22.4
198.10417	4.3
198.14061	3.0
199.07419	0.6
199.11179	11.4
199.14790	7.1
208.12453	5.0
211.11128	4.3
211.14751	1.3
212.11914	2.0
212.15547	2.8
213.12833	6.9
213.16356	22.3
223.11162	1.5
223.14787	6.0
226.09915	0.6
226.13464	6.3
241.12288	14.0
241.15842	100.0
241.19350	7.8
242.16280	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	241.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01857	2.3
55.05508	3.3
57.03414	1.5
57.07076	0.7
65.03933	0.8
66.91683	0.5
67.05502	4.4
69.03417	1.6
69.06747	0.6
69.07067	5.6
70.39698	1.1
77.03883	0.7
79.05484	8.2
81.03410	16.7
81.07054	5.7
83.04983	1.5
83.08614	1.1
85.06522	0.6
90.46941	0.6
91.05478	9.3
93.07034	6.8
95.04963	7.2
95.08606	5.2
97.06518	0.7
99.20425	0.6
103.05449	0.9
105.07030	12.1
107.04941	1.6
107.08587	12.3
109.06518	4.4
109.10142	2.1
115.05438	2.1
117.06979	3.9
119.04955	0.7
119.07747	1.1
119.08572	20.4
121.06483	2.3
121.10129	3.2
128.06216	8.0
129.06995	8.9
131.04916	2.0
131.08559	7.7
133.06459	4.2
133.09193	0.7
133.10129	7.3
135.08032	4.4
135.11682	0.7
141.06963	5.1
142.07767	11.1
143.08546	24.3
144.09279	2.2
145.06474	7.1
145.10123	10.8
147.08015	3.2
147.11658	2.9
153.07060	2.7
154.07744	1.5
155.08536	9.8
156.09329	10.6
157.06503	3.2
157.10110	29.3
158.07240	0.8
158.10838	1.8
159.08063	3.4
159.11679	12.5
160.08815	1.5
160.12459	2.1
161.09531	0.9
165.07010	2.8
166.07785	2.2
167.08542	6.7
168.09351	2.8
169.06416	1.3
169.10110	9.3
170.07227	1.4
170.10889	2.9
171.08060	12.0
171.11673	26.1
172.08725	1.2
173.09615	1.2
173.13222	4.6
179.08542	3.4
180.09315	2.2
181.06543	0.7
181.10071	7.3
182.10941	6.4
183.08047	3.5
183.11667	7.7
184.08807	2.2
184.12424	2.5
185.09610	12.4
185.13252	7.0
186.10306	1.6
193.10135	4.8
194.10893	1.9
195.11688	5.3
197.09612	3.9
197.13243	16.7
198.10361	3.8
198.13887	2.9
199.11159	10.5
199.14798	8.2
207.11758	0.9
208.12479	3.2
211.11125	3.6
211.14774	1.8
212.11900	2.5
212.15518	1.3
213.12808	9.8
213.16342	20.8
223.11284	1.3
223.14804	7.7
226.09869	0.8
226.13486	7.5
241.12302	12.8
241.15845	100.0
241.19412	13.8
242.16333	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	241.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.8
53.03931	1.8
55.01857	1.7
55.05508	4.9
57.03423	1.1
57.07056	0.8
65.64931	0.5
65.76361	0.6
66.44851	0.6
67.05499	4.1
69.03416	1.8
69.07062	5.6
69.97305	2.1
77.03888	0.6
79.05487	7.0
81.03412	20.7
81.07042	4.3
83.04972	0.9
83.08586	1.8
88.57948	0.7
91.04942	1.0
91.05470	11.4
93.07039	10.3
95.04967	7.0
95.08595	6.1
97.58679	0.6
103.05457	0.8
105.07027	12.6
107.04913	1.4
107.08585	11.9
109.06519	4.4
109.10164	2.6
115.05481	3.0
117.07016	5.2
117.41198	0.6
119.08572	24.4
121.06475	2.3
121.10125	3.8
128.06210	6.6
128.48842	0.6
129.06993	10.6
130.07771	1.3
131.04877	1.8
131.08557	8.0
133.06491	3.4
133.10129	6.8
135.08054	3.4
141.06953	4.9
142.07761	10.7
143.08554	24.4
144.09325	2.4
145.06480	6.6
145.10106	10.1
147.08034	2.3
147.11688	3.0
152.06213	0.8
153.06967	2.8
154.07721	1.2
155.08528	9.2
156.09349	12.1
157.06462	2.8
157.10124	30.2
158.10886	1.6
159.08072	3.9
159.11690	18.3
160.08832	3.7
160.12509	3.1
161.09500	0.8
165.06941	3.1
166.07751	2.8
167.08560	6.2
168.09308	1.9
169.06415	1.2
169.10112	9.2
170.07196	1.3
170.10880	2.9
171.08040	10.6
171.11684	25.5
172.08720	1.7
173.09604	1.9
173.13287	3.8
178.07845	1.2
179.08533	4.2
180.09319	2.3
181.10120	7.1
182.10893	8.4
183.08052	3.8
183.11702	8.1
184.08830	1.9
184.12407	2.2
185.09613	11.4
185.13235	7.6
186.10310	1.5
187.11099	0.9
193.10085	4.6
194.10818	2.0
195.11682	5.1
196.12349	0.9
197.09590	2.9
197.13235	23.0
198.10400	3.3
198.13905	3.1
199.11148	10.9
199.14806	6.9
208.12451	4.9
211.11163	5.1
211.14822	1.4
212.08379	1.1
212.11958	2.0
212.15640	1.9
213.12849	8.6
213.16357	23.7
213.18420	1.1
215.66167	0.7
223.11240	1.6
223.14838	7.1
225.12842	0.9
226.13483	7.5
226.17010	0.7
241.12289	15.6
241.15849	100.0
241.19347	7.9
242.16228	3.2
242.28285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96844	4.1
55.01863	6.5
57.03424	15.7
58.06592	24.6
70.43019	10.5
71.01343	8.4
84.08127	11.7
87.04458	12.5
89.02399	8.6
98.09689	13.9
98.97569	7.6
101.02364	23.9
104.10730	14.0
105.11082	12.2
115.03917	33.3
116.98598	7.1
117.42386	4.6
119.01923	4.1
129.01811	32.8
143.03394	13.4
150.11526	5.5
157.01294	33.8
161.04437	17.8
171.02850	6.6
189.03903	100.0
242.04517	5.7
242.06979	16.3
242.15784	74.4
243.16963	7.8
260.08038	15.5
261.03183	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65572	0.1
56.96559	0.5
58.06590	0.4
61.03074	0.2
64.12389	0.1
70.54646	0.2
72.08113	0.2
82.29679	0.1
82.99416	0.2
82.99865	0.5
84.04504	0.3
84.08116	0.3
98.09713	0.3
98.97570	2.3
101.00871	5.5
116.98647	1.3
117.03892	0.2
119.01911	12.1
120.02021	0.3
128.39828	0.1
134.99855	1.0
137.02954	2.0
140.98758	0.8
142.03517	0.4
153.00972	0.3
158.99886	3.2
160.04547	0.6
165.99663	0.3
175.02869	0.3
177.00937	21.8
178.01045	1.4
178.05666	0.2
179.00803	0.2
182.99722	0.7
184.00647	0.3
184.04582	0.8
184.46495	0.2
193.04045	0.3
195.01979	0.4
197.09953	0.2
197.16393	0.7
199.03009	0.2
201.00914	2.5
201.02628	0.2
202.05531	0.4
217.04062	3.4
219.01988	25.8
220.02121	2.2
225.00839	2.1
226.01027	0.3
234.00655	0.3
242.15723	0.9
243.01955	10.1
243.17191	1.0
244.02142	0.6
261.03030	100.0
262.03174	5.3
263.03409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	Cannabispiradienone
Peak:m/z	Relative Intensity
53.03926	0.6
55.01852	1.4
57.03437	0.5
65.03933	1.6
67.05497	5.8
68.99788	0.4
69.03424	5.4
71.42059	0.5
77.03912	0.6
79.05495	3.9
79.91927	0.4
81.07038	1.8
83.04945	0.6
90.91988	0.5
91.05480	6.1
93.07029	1.0
95.04965	11.1
97.02860	0.9
98.84383	0.4
103.05470	0.6
105.07023	5.4
107.04949	1.9
109.06501	1.4
111.04440	0.7
115.05470	1.3
117.07016	2.0
119.04894	1.2
119.08598	0.9
121.06484	4.2
123.04420	7.6
128.06235	2.5
129.06989	4.3
130.07788	0.9
131.04922	0.8
131.08548	4.4
133.06476	2.9
137.05971	8.1
141.06953	5.8
142.07762	0.6
143.08542	2.0
144.05678	1.6
144.09308	1.5
145.06479	5.3
145.10065	2.9
146.07228	1.7
147.08026	1.2
149.05998	0.7
151.03909	0.7
152.06161	0.9
153.06996	3.8
154.07767	8.5
155.08537	3.0
156.09296	0.7
157.06494	5.1
157.07695	0.7
158.07274	6.8
159.04376	0.6
159.08038	5.6
159.11703	3.8
161.05965	26.6
162.06386	0.8
165.06937	2.5
166.07777	1.1
167.08556	1.7
169.06470	1.8
169.07727	0.5
169.10107	7.1
171.04401	0.8
171.08029	2.4
172.08830	8.6
173.06009	1.3
173.09567	4.3
174.06755	2.7
175.07558	4.4
178.07748	3.6
179.08521	7.2
181.06439	6.9
181.10033	0.6
182.07256	19.5
183.08038	2.7
184.05193	1.8
185.05952	8.0
186.06715	1.1
187.07536	5.1
187.11171	6.2
188.08304	0.5
195.08093	0.8
197.09608	16.9
198.06755	0.8
198.10101	0.6
199.07532	8.3
199.11194	0.7
200.08296	14.7
201.09091	7.5
207.08055	0.6
210.06691	2.8
211.07468	1.0
213.05513	2.4
213.09064	2.0
214.06169	1.0
214.09798	0.9
215.07230	1.3
215.10660	35.2
216.11003	0.5
225.09081	18.5
226.09776	0.9
227.07030	1.4
228.07787	19.6
243.10149	100.0
244.10468	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	243.1016
Annotation	Cannabispiradienone
Peak:m/z	Relative Intensity
53.03941	0.8
55.01847	0.6
55.05495	1.2
57.03416	0.4
57.07047	0.4
64.30748	0.4
65.03928	0.5
67.05503	1.9
68.06865	0.4
68.99780	0.6
69.03420	1.2
69.07044	0.6
71.04989	0.5
71.08638	0.8
77.73037	0.4
79.05485	5.8
81.03422	1.9
81.07038	1.6
83.04977	2.5
85.06525	0.7
88.11253	0.4
91.05472	9.2
93.07016	1.3
95.04958	6.7
95.08583	0.6
97.02896	0.7
98.23537	0.7
99.08073	0.5
103.05463	1.6
105.04518	0.8
105.07024	36.2
106.07392	0.5
107.04955	2.6
109.02850	2.3
109.06516	0.7
111.04420	0.9
113.09756	0.5
113.39762	0.4
115.05448	17.0
116.06219	0.7
117.07014	11.9
119.04928	0.4
119.05962	0.4
119.08588	1.0
121.06500	3.7
123.11708	0.4
128.06250	0.9
129.06992	1.6
130.07874	0.5
131.08585	1.8
133.06482	34.0
134.06886	0.6
135.04410	2.0
141.06972	1.6
143.08531	0.7
144.09322	0.8
145.06471	3.2
145.10130	0.8
147.04414	1.1
147.08078	0.5
153.06970	0.6
154.07751	2.8
155.08519	0.5
156.09335	0.8
157.01326	0.4
157.06502	0.6
158.07260	2.6
159.08029	3.5
159.11664	1.4
161.05966	100.0
162.06288	1.9
165.06931	0.9
166.07805	0.7
167.08615	0.5
169.10112	2.0
170.15425	1.5
171.08057	0.6
172.08810	3.8
173.05977	0.4
173.09666	2.1
175.07549	0.9
178.07745	0.4
179.08572	1.5
181.06511	1.6
182.07269	5.1
183.08086	0.6
185.05908	0.8
187.07542	1.4
187.11177	4.2
197.09604	5.8
198.14900	1.7
199.07565	1.2
200.08238	1.9
201.09058	2.2
210.06790	0.5
210.10262	0.4
215.10640	9.3
215.13892	0.4
225.09114	3.1
228.07806	3.1
229.04648	0.5
243.10162	17.7
243.13773	0.9
244.10510	0.5
244.22681	0.8
247.53992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.03950	0.6
55.01874	1.1
55.60164	0.5
65.03939	1.3
67.05494	3.7
68.00548	0.5
68.99793	0.5
69.03420	4.1
69.42072	1.1
69.42473	1.5
77.03910	0.6
79.05485	3.4
81.07059	1.0
83.04972	0.5
85.02856	0.5
86.12202	0.5
90.18150	0.5
91.05475	3.9
93.07034	0.6
95.04957	6.5
95.08614	0.8
97.02883	0.7
98.23441	1.0
105.07037	4.3
107.04961	1.1
109.02861	0.6
109.06497	1.0
115.05443	1.9
117.07005	1.6
119.04887	1.3
119.08547	0.9
121.06490	2.7
123.04418	3.9
128.06203	2.1
129.06996	3.6
130.07732	0.7
131.04921	0.7
131.08539	3.0
133.06490	2.6
137.05940	6.1
141.06967	4.0
143.08546	1.1
144.05721	0.8
144.09308	0.9
145.06445	2.5
145.10098	2.3
146.07281	0.6
147.07965	1.0
152.06157	0.7
153.06998	3.3
154.07758	5.2
155.08528	2.3
157.06471	4.3
158.07260	4.9
159.07997	3.4
159.11671	2.2
161.05971	16.1
161.09659	0.9
165.06998	1.2
166.07727	0.8
167.08531	1.2
169.06476	1.1
169.10104	5.6
171.04381	0.8
171.08026	1.6
172.08813	7.1
173.05957	1.2
173.09596	2.9
174.06812	2.4
175.07552	5.7
178.07751	2.6
179.08528	6.3
181.06436	4.0
182.07251	12.6
183.07971	1.8
185.05977	5.8
185.09720	0.6
186.06725	1.0
187.07553	4.5
187.11145	4.4
197.07886	1.0
197.09608	13.1
198.06763	0.6
199.07527	5.1
200.08296	9.3
201.09088	7.6
210.06726	2.3
211.07501	0.6
213.05461	1.1
213.09068	1.2
214.06335	0.7
215.07181	1.2
215.10657	29.6
225.09084	15.0
227.06960	1.1
228.07797	13.0
229.08092	0.6
243.10144	100.0
244.10434	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	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09229	0.2
55.05264	0.2
55.05506	3.1
57.07068	1.1
64.53316	0.2
67.05497	2.5
69.07065	3.4
69.78699	0.4
69.79041	0.6
79.05486	1.5
81.07044	3.4
83.08612	2.7
86.07059	0.2
91.05472	1.9
93.07040	4.7
95.04941	0.3
95.08018	0.5
95.08595	5.7
97.10153	0.6
105.07028	4.8
107.08583	8.3
109.10155	3.2
117.06995	1.7
119.08575	5.8
121.10139	6.3
123.11691	1.6
128.06235	0.3
129.06985	0.9
130.07805	0.3
131.08557	10.8
133.10115	3.6
133.21552	0.2
135.11687	5.7
137.05530	0.2
137.13228	0.3
139.69977	0.2
143.08554	1.6
144.09334	1.3
145.10114	11.3
146.10434	0.2
147.11682	2.1
149.13232	2.8
157.10083	1.3
158.10919	2.1
159.11687	11.2
159.81250	0.2
160.12418	0.7
161.13235	4.1
163.14793	0.3
163.57808	0.2
171.11679	0.9
172.12476	0.4
173.13246	26.4
174.13901	1.0
175.14803	1.0
185.13202	1.5
187.14806	10.7
188.15465	1.0
199.14803	1.8
200.15500	1.0
201.16377	4.1
211.77222	0.2
213.16360	0.8
214.17099	1.2
215.17941	1.7
228.18764	0.7
241.19531	0.3
243.21060	100.0
244.21361	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	243.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.07061	1.8
62.36209	0.3
67.05501	2.4
69.07057	3.9
71.08620	0.7
79.05489	1.8
81.07049	4.9
83.08621	2.9
91.05468	2.4
93.07034	5.9
95.08598	6.9
97.10154	0.6
98.97557	0.5
105.07011	5.7
107.08583	8.5
109.10158	3.6
117.07008	1.7
119.08565	7.9
120.08950	0.4
121.10121	7.3
123.11720	2.0
129.06964	0.9
130.07796	0.6
131.08549	11.0
133.10114	4.5
135.11682	6.6
143.08556	1.7
144.09300	1.5
145.10106	12.7
146.38187	0.4
147.11693	3.6
149.13219	4.3
157.10120	1.3
158.10922	2.3
159.11676	12.5
160.12424	1.0
161.13237	4.6
171.11676	1.1
172.12482	0.7
173.13243	33.0
174.14008	1.7
175.14815	1.0
185.13297	1.8
187.14809	11.3
188.15553	0.7
199.14841	1.9
200.15527	1.0
201.08455	0.4
201.16350	4.6
213.16325	1.0
214.17088	0.8
215.17967	1.7
228.18803	0.6
234.26788	0.3
243.21054	100.0
243.28740	2.0
244.21405	3.0
244.26328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.17634	0.3
55.01873	3.9
55.19337	0.3
57.03472	0.3
60.80511	0.3
65.03934	0.5
67.05484	0.5
69.03429	3.8
71.21677	0.5
77.57375	0.3
79.05490	14.3
81.07040	2.4
83.04958	0.5
88.46983	0.4
91.05476	12.9
91.81133	0.4
93.03407	1.3
93.07031	2.9
95.04955	2.8
105.07020	7.2
107.04958	2.0
107.08591	20.8
109.02875	8.3
109.06522	3.3
115.05453	4.8
117.07009	9.0
119.06068	2.6
119.08572	1.0
120.05722	0.8
121.06487	1.4
125.07385	0.3
128.06209	1.5
129.06987	1.0
130.07768	0.5
131.08536	0.8
133.06493	0.8
135.08051	37.8
136.08449	0.8
137.05933	0.7
141.06975	1.8
142.07791	1.0
143.08566	3.3
145.06522	1.6
155.08597	0.9
156.09344	3.4
157.10121	1.1
158.07288	0.5
159.08055	1.0
161.09627	0.8
162.06763	0.9
163.07535	100.0
164.07857	2.1
165.06999	2.0
166.07788	2.9
167.08441	0.4
169.06433	0.8
171.08069	0.5
171.11664	2.2
172.08897	0.4
175.07504	0.6
181.10068	2.3
183.08052	0.5
184.08817	2.1
185.09653	0.9
188.08244	0.4
194.07281	0.9
199.11192	6.6
209.09592	2.4
212.08331	0.5
217.12326	0.7
227.10646	10.1
228.10818	0.5
230.78813	0.3
245.11659	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	245.1172
Annotation	2,2-Bis(4-hydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.05516	6.2
57.15439	0.6
58.24003	0.6
61.08145	0.6
67.05489	1.3
69.03396	2.1
69.23479	3.5
77.03893	0.7
79.05489	3.6
81.07034	1.1
83.04977	33.9
88.28590	0.6
91.05471	4.4
93.06998	1.1
95.04917	2.9
98.23421	1.5
102.68552	0.7
105.06470	0.5
105.07026	6.6
106.75744	0.7
107.04983	0.7
107.08585	1.5
109.02855	1.7
109.06478	1.9
115.05424	2.7
116.06229	0.7
117.06995	2.5
119.04891	1.8
119.08555	1.1
121.06497	5.0
128.06190	4.1
129.07019	3.7
131.08508	1.1
133.06462	2.9
135.04416	2.9
135.08051	3.3
137.05962	1.4
141.06978	4.6
142.03194	2.5
142.07776	9.9
143.08554	10.3
145.06467	9.7
147.04391	0.7
152.06232	0.8
153.06937	2.7
155.08546	5.4
156.09328	12.6
157.06438	2.0
157.10109	7.5
158.07249	6.1
159.08051	8.6
161.05986	4.8
161.09535	0.7
163.07536	12.4
165.05539	0.8
165.06934	7.5
166.07771	12.5
167.08507	1.3
168.05702	1.8
168.09346	1.8
169.06476	7.7
170.07225	1.4
171.08041	9.2
171.11676	7.0
172.08800	0.6
173.06039	0.9
175.07434	1.1
181.10127	4.8
182.07310	3.2
183.08041	10.9
184.08820	33.3
185.09590	24.2
186.09900	1.0
194.07242	1.5
197.05951	2.6
197.09599	5.4
198.10403	0.8
199.11169	65.1
200.11510	2.2
203.10641	0.6
209.09605	7.6
211.07545	2.1
212.08301	34.2
213.08719	0.8
227.10646	100.0
228.11021	3.1
245.11720	63.0
246.12033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	2,4'-Dihydroxy-3-methoxybibenzyl
Peak:m/z	Relative Intensity
53.03938	2.5
55.01866	10.2
65.03944	2.5
66.11684	2.3
67.05499	13.0
69.03423	8.6
70.87238	3.3
77.03923	7.3
79.05488	45.3
81.06633	3.3
81.07059	40.8
83.04972	9.4
84.38967	2.2
91.05466	18.8
93.07066	14.5
95.04968	72.5
95.08602	4.3
96.13305	2.2
103.19624	2.2
105.04515	6.4
105.07040	14.6
107.04950	100.0
107.08583	8.3
109.02879	3.3
109.06523	45.6
114.03751	3.4
115.05460	15.4
117.07010	19.8
119.06094	2.8
119.08582	5.9
121.06483	11.5
123.04415	6.4
128.06223	5.5
129.06990	6.3
131.08585	3.9
133.06516	6.4
135.04410	84.8
135.08031	26.5
136.04776	2.3
137.05966	12.1
141.06955	4.5
142.03226	7.3
142.07759	5.8
143.08505	10.9
144.09360	2.4
145.05324	4.8
145.06480	77.6
145.10089	3.0
147.08040	4.8
149.05991	5.0
153.04517	2.7
156.09306	6.6
157.10173	4.9
159.08035	5.6
161.05963	4.6
163.07545	40.0
166.07767	5.6
169.06580	2.6
169.10106	2.7
170.02660	3.1
170.07242	2.4
171.08017	3.2
171.11641	9.6
173.09605	3.9
175.11125	4.7
177.05533	3.8
181.10098	6.9
184.08798	3.4
185.09618	8.8
187.11163	24.1
189.05447	2.4
189.09138	3.9
189.12700	2.9
197.09595	5.5
199.11169	34.6
201.09000	3.0
203.10672	12.9
212.08464	3.6
215.10721	5.7
216.29749	2.6
217.12292	13.4
227.10658	19.6
245.11697	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	245.1535
Annotation	2-Hydroxy-7-methoxycadalene
Peak:m/z	Relative Intensity
52.40184	0.7
53.03941	3.2
53.63239	0.7
55.01871	4.7
55.05508	4.4
57.03428	2.2
57.07064	1.9
59.04985	1.9
65.03929	1.3
67.05499	10.0
69.03410	2.0
69.07071	3.4
71.04972	1.6
79.05484	8.2
81.03410	45.7
81.07056	9.3
82.03745	0.8
83.04967	5.3
83.08601	2.1
85.06541	2.1
85.51540	0.7
91.05472	12.6
93.07034	15.2
95.04965	14.5
95.08594	8.0
97.06511	2.5
97.10181	1.4
105.04504	0.7
105.06347	1.3
105.07024	19.1
105.07735	1.1
107.04940	2.2
107.08582	30.7
109.06506	14.0
109.10154	6.8
111.08056	2.3
115.05445	1.7
117.07001	4.4
119.08569	14.3
121.06497	6.0
121.10133	19.9
123.04379	0.7
123.08055	17.6
123.11672	3.9
125.09626	2.4
127.07642	0.8
128.06204	3.7
129.07013	5.7
130.07738	0.8
131.04887	1.2
131.08554	6.7
133.06508	3.4
133.10117	15.9
135.08043	6.1
135.11674	5.8
137.05983	0.7
137.09601	2.2
141.06979	2.3
142.07756	5.4
143.08543	14.4
144.09302	1.3
145.06490	4.9
145.10135	7.5
147.08032	14.3
147.11687	3.0
149.05922	1.0
149.09602	8.4
151.07549	0.8
151.11156	10.1
155.08539	2.9
156.09352	4.1
157.06508	1.1
157.10107	16.3
158.07227	0.9
159.08038	6.0
159.11665	5.7
161.09610	15.3
161.13258	1.2
162.10158	0.9
163.07512	1.7
163.11168	32.5
165.09041	1.1
166.07846	1.0
167.08566	2.7
169.10092	2.9
170.10886	2.5
171.08061	4.4
171.11696	9.8
172.08810	1.3
173.09584	6.4
173.13220	1.9
175.07542	1.9
175.11131	5.4
175.14799	1.2
177.08965	0.8
177.12753	1.1
179.08546	2.2
181.10037	1.5
182.10866	0.7
183.08023	0.7
183.11685	4.9
184.08739	1.1
185.09636	15.2
185.11234	1.2
185.11569	0.8
185.13231	10.4
186.10237	1.0
187.11153	9.4
189.09108	4.4
189.11217	0.9
189.12695	5.4
194.10896	1.7
199.11185	8.3
199.14810	11.5
201.12744	8.7
202.13341	1.2
203.10646	5.7
203.14282	8.0
209.13179	5.3
212.11964	2.9
215.14290	2.3
217.12245	1.3
217.15794	8.2
227.10646	2.1
227.14273	23.4
244.26329	1.2
245.11787	7.7
245.15352	100.0
246.15781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.02445	1.1
54.30272	1.2
54.41038	1.2
55.05509	8.8
56.42927	1.2
67.05495	2.5
69.03429	2.7
69.07056	2.7
71.04975	4.5
72.08109	1.2
79.05489	9.8
81.07056	9.6
83.04967	8.4
91.05481	14.4
93.07043	17.8
95.04956	3.9
95.08609	6.4
97.06505	2.8
103.05459	1.9
105.07025	28.3
107.08578	14.5
109.06516	3.9
109.10133	1.3
111.04428	1.9
114.03790	1.5
115.05441	3.1
117.06969	5.9
119.08567	16.6
121.06456	3.0
121.10130	1.5
123.08051	1.2
128.06203	7.6
129.07002	13.0
130.07765	2.6
131.08569	12.7
132.09328	1.5
133.06445	2.8
133.10126	20.4
135.08031	2.5
137.05965	1.5
139.07545	2.3
140.65408	1.2
141.06973	4.5
142.03258	8.4
142.07759	25.8
143.08559	38.7
144.09251	3.4
145.06482	1.8
145.10107	22.3
147.08014	2.0
147.11641	7.5
149.05873	1.3
151.07518	3.2
155.08583	6.1
156.09323	13.2
157.10115	100.0
158.10674	1.7
159.08112	2.2
159.11710	9.2
161.05981	2.9
161.09624	2.9
163.07527	4.7
165.09143	2.2
169.10156	2.5
170.10898	12.5
171.07985	2.3
171.11664	21.3
172.08722	1.7
175.07523	3.4
183.11679	3.2
184.12410	2.3
185.09637	3.5
185.13235	64.7
186.13828	2.6
189.05389	1.9
189.09088	4.7
190.09740	1.6
199.11081	3.3
199.14801	32.9
200.15083	1.5
203.06978	1.2
203.10654	8.1
203.14244	2.3
209.13353	1.4
217.08589	2.1
217.12221	4.4
217.15887	3.1
227.10718	2.7
227.14294	5.6
245.08168	3.1
245.11853	11.3
245.15347	69.0
246.15639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03941	1.2
55.05502	5.4
59.05014	1.3
63.65560	1.1
67.05492	5.0
68.99774	1.1
69.03428	1.4
69.07057	3.9
69.72046	3.4
71.04982	3.7
78.19895	1.0
79.05502	6.6
80.05013	1.8
81.07060	8.9
83.04967	4.9
88.30614	1.1
91.05469	18.0
93.06520	2.0
93.07042	19.0
95.04953	4.5
95.08613	6.7
97.06544	2.4
99.04421	2.2
103.05464	1.3
105.07022	29.8
107.08581	17.2
109.06509	5.7
115.05455	3.2
117.07019	6.7
119.04906	1.1
119.08579	18.7
121.06458	4.7
121.10106	1.8
123.08089	1.7
128.06206	9.6
129.06996	12.5
130.07831	1.7
131.08554	12.9
133.06494	1.4
133.10127	22.1
135.04424	2.2
135.08067	5.3
137.05957	2.7
139.07513	1.9
141.06969	4.6
142.03188	7.0
142.07771	24.2
143.08553	42.0
144.09329	1.9
145.06487	7.1
145.10118	21.0
147.08035	3.9
147.11661	8.3
151.07520	4.6
153.09081	1.6
155.08528	6.7
156.09335	16.3
157.10117	100.0
158.10481	2.0
159.07997	10.3
159.11661	8.4
160.08798	5.8
161.05936	2.3
161.09602	4.1
163.07544	4.0
165.07051	1.8
165.09114	1.3
166.07748	1.5
169.10101	3.6
170.02669	1.6
170.10907	12.7
171.02864	1.2
171.08040	3.3
171.11681	20.5
172.08826	1.7
173.13376	1.3
174.10497	1.3
175.07523	15.4
175.11182	3.4
175.14720	2.0
181.10146	1.5
183.11644	2.6
184.08847	3.3
184.12422	3.7
185.09677	3.3
185.13245	65.9
186.09937	1.1
186.13968	1.7
187.07518	4.4
187.11249	1.4
188.08324	8.1
189.05449	1.2
189.09081	6.7
189.12802	2.1
190.09929	1.7
193.11479	1.1
199.07555	2.5
199.11195	11.0
199.14806	33.2
202.09857	1.4
203.10666	10.4
203.14264	2.2
209.13260	1.9
211.07420	1.6
212.08333	9.8
217.12230	5.0
217.15781	1.9
227.10692	15.6
227.14095	7.0
245.04434	1.2
245.08002	2.3
245.11687	43.4
245.15355	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	0.5
70.06599	1.2
70.34856	0.6
71.29558	0.4
86.09702	100.0
87.10025	0.5
106.97827	0.3
132.10202	3.0
140.05214	0.3
142.03224	0.6
199.18100	1.1
203.10666	0.4
227.10706	0.4
245.08047	0.3
245.11496	0.4
245.18620	3.6
253.93208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.81354	0.2
56.05025	0.3
57.05813	0.5
58.06593	0.3
69.07068	10.3
70.78063	0.4
71.82037	0.2
86.09702	100.0
87.10034	0.7
132.10191	1.6
170.86197	0.2
199.18063	0.4
236.55803	0.2
245.11549	0.4
245.18637	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	246.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.07057	0.5
67.05502	0.5
69.07059	1.1
70.06579	2.0
71.35186	0.5
79.05469	0.9
79.42053	0.4
81.07063	2.1
82.06568	3.2
83.08616	0.6
91.05464	1.7
93.07040	2.6
94.06551	0.8
95.07151	0.4
95.08592	1.9
96.08134	0.4
100.52618	0.4
105.07042	3.7
107.08555	3.0
108.08101	2.8
109.10107	0.7
110.09658	1.6
117.06953	0.4
119.08570	2.7
121.10136	2.4
122.09672	0.7
130.14049	0.4
131.08548	1.9
133.10098	1.8
133.51958	0.4
135.11684	0.9
143.92622	0.4
145.10078	2.8
147.11694	1.8
149.13206	1.6
152.14310	2.7
159.11736	2.1
173.13240	1.6
187.14767	1.0
188.14378	0.6
189.16312	0.8
203.16577	1.0
229.19374	1.0
246.22154	100.0
247.22423	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	247.0964
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
50.70085	1.0
55.01860	3.1
55.05495	1.4
57.03410	1.1
67.05483	2.3
68.11131	1.0
69.03425	100.0
69.98669	1.7
69.98976	1.6
70.06587	1.2
79.05471	2.9
81.03410	6.2
81.07047	1.1
83.04949	2.4
85.02882	2.9
90.23592	1.0
91.05476	9.9
93.07030	2.3
95.04958	2.8
95.08603	1.5
103.05467	27.6
105.07047	6.6
107.04947	2.2
109.02821	1.2
111.04397	1.8
114.07886	1.3
115.05431	7.1
117.07018	5.1
119.04908	4.7
119.08520	1.2
121.06491	10.2
123.04420	8.4
128.06212	5.4
129.07021	8.3
131.03955	2.1
131.04918	36.3
131.08553	4.6
133.06483	5.4
135.04395	2.9
137.05978	4.3
141.06987	6.3
143.08575	2.5
144.05675	2.6
145.06451	4.9
145.10081	3.6
147.04398	7.9
149.05972	50.5
150.06386	1.2
151.07527	11.5
153.06976	5.9
153.63644	1.0
154.07803	1.2
155.08548	14.0
157.06476	10.5
158.07224	4.3
159.08028	7.3
160.05186	4.1
161.05971	9.0
162.06801	1.3
163.03888	2.9
163.07545	2.3
164.04597	1.5
165.05484	48.5
165.06967	4.4
168.05643	2.9
169.06439	4.3
171.07956	5.0
173.05966	4.7
173.09663	5.1
175.07544	10.7
175.74673	1.1
177.05336	1.9
177.09109	1.8
179.06995	6.0
183.08032	12.4
185.05939	5.0
186.06776	1.6
187.07539	14.3
189.05470	17.8
189.09065	3.4
191.07018	1.5
191.10641	2.9
201.05392	1.9
201.09071	19.5
202.08627	3.2
203.06960	2.5
204.07831	1.8
205.05002	1.4
205.08594	6.5
211.07486	8.6
214.06163	2.2
217.08472	2.4
219.10118	11.6
229.08577	30.7
246.24191	1.2
247.09625	68.8
248.09895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
55.01855	4.6
55.23914	1.4
57.03423	1.2
67.05489	3.5
67.38610	1.3
69.03427	100.0
70.06572	1.3
71.01348	1.5
79.05486	2.5
81.03414	7.3
81.07035	2.3
83.04961	3.7
85.02893	3.2
91.05463	9.3
93.07045	3.4
95.01599	1.4
95.04954	3.6
97.02910	2.5
99.04406	1.6
103.05466	31.9
105.07029	9.5
107.04927	2.1
109.06532	1.8
111.04440	3.8
115.05450	7.5
117.07002	6.1
119.04939	4.8
119.08565	1.5
121.06496	11.9
123.04430	9.1
128.06197	5.9
129.07001	9.6
130.07796	1.8
131.04918	41.9
131.08543	4.0
133.06500	7.1
135.04420	2.3
137.05963	6.5
141.07011	10.7
144.05734	4.2
145.06464	7.1
145.10117	4.1
147.04417	8.4
147.08031	1.9
148.05035	1.4
149.05974	55.8
151.07533	13.8
153.06987	4.6
155.06044	1.6
155.08549	12.9
157.06490	12.1
158.07217	4.3
159.08061	8.6
160.05165	3.5
161.05919	9.6
163.03897	4.6
163.07555	2.8
165.05490	54.1
165.06955	6.1
166.05798	1.4
168.05678	3.5
169.06436	4.8
171.08041	5.7
173.05984	4.7
173.09625	5.7
174.06795	2.1
175.07532	10.7
177.05475	2.6
177.09087	2.9
179.07034	6.4
183.08083	15.2
185.05942	6.2
186.06763	2.7
187.07521	19.9
189.05444	20.8
189.09105	3.5
190.06178	2.2
191.10654	3.6
201.05544	2.2
201.09087	16.9
202.08586	4.3
203.07025	4.1
205.04970	2.0
205.08560	7.5
208.74808	1.5
211.07513	6.8
214.06300	2.3
217.08611	1.8
219.10176	12.9
229.08577	31.7
230.41043	1.6
230.97084	1.5
247.09641	79.2
248.09831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
58.99573	0.4
59.04988	2.6
60.07920	0.3
60.08167	2.7
61.01124	3.6
62.99042	0.7
67.05489	1.0
72.57646	0.3
75.02679	0.9
77.00600	34.1
78.98543	0.4
79.02158	3.2
79.05488	0.7
81.07048	0.5
83.04980	5.8
85.06541	0.3
91.02155	0.9
91.05468	1.1
93.03712	2.3
93.07037	0.7
95.01637	100.0
95.04964	0.6
95.08607	0.6
96.01587	0.9
96.99564	2.3
97.02052	0.4
99.02652	5.6
100.93869	0.3
101.04204	2.4
102.05489	0.3
103.02153	0.5
105.07009	1.4
107.01617	1.0
107.08568	0.9
109.03188	5.6
109.06521	1.2
111.04448	0.4
113.02672	4.2
115.02117	0.4
117.03693	5.7
117.07013	1.0
118.00823	0.9
118.03203	3.2
118.06538	1.0
119.01620	3.9
119.05202	0.7
119.08609	0.8
121.03172	9.8
121.06512	0.9
121.10162	0.3
123.08037	0.3
129.03740	0.5
129.07024	0.5
131.05231	8.4
131.08572	0.9
133.03159	10.0
133.06511	0.7
133.10078	0.4
135.01089	0.7
135.04671	0.4
135.08034	1.8
137.06232	1.0
137.09665	0.3
139.07538	1.1
143.05200	1.9
143.08580	0.5
144.08113	0.6
145.06790	6.8
145.10123	1.2
146.05995	3.1
147.04716	7.0
147.08044	0.9
149.06241	0.8
149.09616	0.6
151.04228	0.5
155.08501	0.3
159.08066	2.0
159.11671	0.7
161.06070	0.3
163.03955	0.3
163.07487	1.9
165.05788	0.9
171.24486	0.3
172.08813	0.5
173.09659	0.8
173.13287	1.0
175.07845	24.9
179.03708	1.4
183.08012	0.4
188.07039	3.5
188.08476	0.4
191.07008	0.6
201.12717	1.5
203.07324	4.5
206.08177	1.2
223.06389	0.5
229.08609	0.4
229.12233	1.3
247.09767	2.4
247.13168	3.7
247.16956	0.5
248.09265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74818	0.3
52.95205	0.3
53.71209	0.4
55.01862	2.2
55.05494	2.4
60.08165	0.6
65.03958	0.6
67.05502	20.5
70.06570	0.4
71.41899	0.4
79.05489	1.3
81.03419	0.4
81.07054	6.3
83.04975	1.4
88.07639	0.9
91.05466	2.5
93.07053	2.1
94.04189	0.7
95.04962	4.1
95.08598	10.6
104.99265	5.2
105.07018	0.9
107.04913	0.5
107.08585	2.1
109.02856	0.6
109.06512	10.6
109.10147	70.3
110.10458	1.1
117.06976	0.5
119.08555	3.5
121.06477	0.5
121.10160	0.6
122.96122	0.4
131.08572	0.7
133.06407	0.9
137.09604	50.5
138.09952	0.9
145.10098	1.2
147.08064	0.8
165.09102	100.0
166.09396	1.8
171.08040	0.4
173.06003	0.5
173.09627	1.5
188.06970	0.8
189.05406	0.4
201.12598	0.4
229.12262	0.6
246.24295	3.4
247.13213	2.9
247.24536	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
55.01864	2.1
55.05496	2.5
58.14190	0.5
66.06611	0.4
67.05502	20.3
70.24613	0.5
70.24983	0.5
79.05490	0.8
81.07051	5.6
83.05006	0.4
84.14925	0.4
91.05003	0.4
91.05475	2.2
93.07053	2.4
94.04163	0.5
95.04960	4.2
95.08022	0.7
95.08601	9.2
104.99303	0.4
105.07008	0.5
107.08576	2.7
109.02881	0.8
109.06506	8.7
109.10148	69.5
110.10473	1.2
119.08574	3.7
121.10111	0.7
131.08522	0.5
137.09607	47.5
138.09952	0.6
139.07571	1.2
145.10098	0.8
154.67796	0.4
165.09103	100.0
166.09448	2.0
173.09602	0.9
173.13277	0.5
201.12836	0.4
211.11171	0.5
228.36433	0.5
246.24171	0.7
247.13258	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	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.99651	1.2
53.03929	4.0
55.01860	1.8
55.05502	6.1
57.07061	1.6
59.04966	1.0
65.03945	5.5
67.05500	5.2
68.99773	1.9
69.03065	1.6
69.03425	24.5
69.07064	1.7
69.93904	1.1
69.94231	2.0
70.06574	1.3
72.08138	1.3
79.05483	9.0
81.07051	7.6
83.04974	21.0
87.04471	1.8
91.05469	15.3
91.81543	0.9
93.03376	4.0
93.07032	13.9
95.04965	6.6
95.08591	2.1
97.02875	9.1
103.05497	1.4
105.07021	15.1
107.04935	2.7
107.08585	14.6
109.02860	10.0
109.06507	11.7
109.10124	2.0
111.04436	6.2
111.08046	1.9
113.02349	1.0
115.03908	1.2
115.05420	4.8
117.06990	9.6
119.04964	1.2
119.08554	17.8
121.02830	3.6
121.06492	16.2
121.10125	6.6
122.07301	1.1
123.04436	1.0
123.08040	3.7
125.02341	1.5
125.05956	1.6
128.06163	5.2
129.06992	7.8
130.07718	1.6
131.04932	1.4
131.08557	19.7
132.05693	2.6
133.06490	2.2
133.10121	8.8
135.07047	1.8
135.08043	30.0
137.05952	4.0
137.09587	3.5
139.03859	1.3
141.06960	3.4
142.07797	2.9
143.03387	2.3
143.08553	13.2
144.05647	1.7
144.09341	10.5
145.06482	12.0
145.10104	11.7
147.08032	4.3
149.05914	1.7
149.09613	25.3
150.10394	3.3
151.07539	1.7
151.11143	4.1
153.06970	3.1
153.09087	2.3
154.03622	1.0
154.07692	1.4
155.05945	1.1
155.08539	5.8
157.06479	1.3
157.10147	3.8
158.07246	2.1
158.10910	10.9
159.08029	12.7
159.11681	25.9
160.08827	4.9
160.12015	1.2
161.04382	1.6
161.09581	3.5
163.07524	22.9
163.11165	3.9
165.09148	1.3
168.09303	4.3
169.10123	2.9
170.10898	4.9
171.08047	8.1
171.11716	1.5
172.08806	18.2
173.05927	1.6
173.09607	28.3
173.13234	32.6
175.07509	2.1
175.11122	1.5
175.13084	1.1
177.08986	1.0
178.07617	1.1
181.06424	2.2
183.11707	9.3
185.09689	2.6
185.13210	1.7
186.10371	24.1
187.07581	3.2
187.11159	100.0
188.06992	1.2
188.11536	2.3
188.13853	0.9
189.09058	2.2
191.07011	37.3
191.08698	2.1
193.10126	2.2
195.08192	1.0
196.08823	6.4
196.12677	0.9
199.07466	2.7
201.12726	53.5
202.13138	1.3
202.46524	1.0
203.14281	1.7
205.12195	7.0
211.11127	10.3
214.09894	4.0
219.13831	5.6
229.12216	52.7
230.18985	2.1
247.13266	76.7
247.18776	10.2
248.13596	1.4
248.20023	2.4
248.22296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Morinin A
Peak:m/z	Relative Intensity
53.03962	1.1
55.05509	19.0
55.05780	1.3
60.08159	5.7
67.05499	2.2
69.03413	1.2
70.69530	1.1
70.69864	1.5
71.04989	3.3
79.05495	2.3
81.07044	3.1
83.04978	100.0
91.05480	3.4
93.07038	4.3
95.04970	2.4
95.08603	2.7
99.04459	3.0
105.07047	3.1
107.04981	1.5
107.08583	3.2
109.06509	3.8
109.10182	1.2
115.05463	2.1
117.07008	3.6
118.06586	2.3
119.08577	5.6
121.06490	3.2
121.10180	1.0
131.08556	2.9
133.70392	0.9
135.08041	8.4
137.09677	1.2
138.17659	1.0
139.07497	1.5
143.08540	1.7
144.08081	1.3
145.06445	2.2
145.10132	1.8
146.06012	6.9
147.08006	5.4
149.09573	2.2
155.08511	0.9
156.47705	1.1
159.08061	1.9
159.11679	1.3
163.07541	6.3
170.06001	1.0
173.09662	1.0
173.13390	1.1
187.14841	1.4
188.07086	8.5
191.07059	1.9
201.12741	2.0
229.12225	2.6
247.09705	1.1
247.13199	7.0
247.16988	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03920	2.7
55.05496	3.9
59.72449	1.3
65.03930	4.0
67.05486	5.5
68.99772	1.3
69.03427	20.1
69.07070	1.3
69.93158	3.3
77.03938	2.0
79.05493	9.6
81.07053	6.9
82.45417	1.1
83.04976	19.8
87.04469	1.3
91.05466	17.0
93.03422	5.8
93.07043	13.6
93.62018	1.1
95.04950	5.3
95.08549	1.3
97.02889	10.2
103.05435	1.3
105.07018	13.2
107.04955	2.1
107.08584	15.5
109.02865	9.5
109.06509	11.4
109.10106	2.6
111.04415	3.5
115.03946	1.5
115.05447	3.7
117.06994	10.2
119.08566	14.3
121.02823	2.6
121.06495	14.9
121.10110	5.9
123.08057	2.7
125.02365	1.7
128.06189	4.5
129.06996	5.1
131.08554	17.7
132.05675	2.4
133.06482	2.0
133.10115	10.4
135.04308	1.5
135.08051	24.6
137.05980	4.2
137.09573	2.6
139.03879	3.5
141.06989	2.5
142.07735	1.9
143.03348	1.7
143.08539	12.2
144.09329	8.0
145.06465	12.8
145.10104	10.6
146.05919	1.4
147.08054	3.6
149.09608	23.6
150.10349	4.3
151.07492	1.5
151.11142	4.5
153.06996	3.4
155.08504	6.4
156.09372	1.8
157.10086	4.1
158.07246	3.3
158.10907	10.8
159.08055	14.0
159.11687	23.3
160.08815	5.1
161.09564	3.9
163.07533	19.1
163.11156	2.6
165.09097	3.6
168.09341	3.4
169.10118	4.0
170.10878	4.0
171.08041	8.4
172.08838	15.3
173.06065	1.8
173.09630	30.4
173.12065	1.3
173.13239	33.1
175.07495	2.2
181.06412	1.8
183.11693	9.0
185.09569	2.9
185.13254	4.1
186.10376	21.3
187.11166	100.0
188.11583	2.2
189.09113	2.8
191.07013	42.5
192.07359	1.6
196.08798	4.9
201.12718	56.2
205.12267	7.6
211.11133	10.8
214.09824	2.4
219.13780	6.0
229.12221	64.8
230.12486	1.6
247.13266	80.2
247.18767	7.5
248.13634	2.1
248.20061	2.8
259.03186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Morinin A
Peak:m/z	Relative Intensity
53.03954	1.3
55.05510	16.1
57.07085	0.8
58.60099	0.8
60.08165	3.8
67.05502	1.2
69.03423	1.3
69.83640	0.7
71.42204	0.7
72.30276	0.7
77.36404	0.7
79.05493	2.2
81.07072	1.5
83.04977	100.0
84.05319	1.1
84.29628	0.7
91.05469	3.6
93.07019	2.3
95.01647	1.5
95.04981	1.2
97.02855	0.9
101.06013	1.5
103.05428	1.2
105.07030	4.9
107.04910	0.8
107.08601	1.3
109.06528	0.9
115.05417	1.4
117.07031	2.8
118.06542	2.0
119.08575	4.5
119.09319	0.7
121.06500	3.0
121.10110	1.8
129.06999	1.1
131.08598	2.0
132.23718	0.9
133.06476	2.1
135.08035	3.6
143.08563	1.4
144.08147	1.2
145.06519	1.7
145.10048	1.3
146.05986	4.5
147.08054	10.5
149.09641	5.8
159.08073	3.5
159.11702	1.3
163.07535	1.5
171.08066	0.9
173.05942	0.8
173.09659	1.8
173.13332	0.9
188.07047	5.5
189.09096	1.6
191.07053	2.7
199.07523	1.4
201.12791	4.1
229.08632	2.3
229.12196	3.8
247.06035	1.6
247.09668	1.2
247.13324	11.8
247.16864	2.0
248.09076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	7-Hydroxy-10-oxodehydrodihydrobotrydial
Peak:m/z	Relative Intensity
53.03923	0.5
55.01839	0.5
55.05487	1.1
57.03406	0.9
67.05477	0.6
69.03400	1.5
69.17857	0.4
78.61677	0.5
79.05457	1.5
81.07043	2.4
83.04953	1.9
88.19283	0.5
91.04946	0.5
91.05473	7.1
93.07037	5.7
95.04977	3.1
96.77899	0.4
104.98685	0.5
104.99268	5.3
105.04478	1.3
105.07027	3.1
109.06482	0.9
115.05464	0.6
117.06966	1.8
119.08582	3.5
121.06448	1.6
129.06996	1.0
131.08553	6.1
141.06924	1.0
143.08571	2.6
144.09338	1.3
145.06470	3.6
145.10123	2.9
146.05963	0.9
147.08040	4.0
153.06992	0.8
155.08504	1.4
157.10068	1.2
158.10912	2.8
159.08038	3.5
159.11723	1.1
161.09532	0.6
168.09311	2.0
171.07993	3.7
172.08832	2.7
173.05946	0.5
173.09671	2.6
173.11890	0.5
173.13258	6.5
183.11665	0.7
185.09541	1.1
186.08824	0.9
186.10391	12.9
187.11169	5.7
188.07060	0.7
201.12720	65.2
202.13068	1.7
229.12216	100.0
230.12512	2.2
246.24309	0.9
247.13182	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	247.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41898	0.6
60.08159	67.2
67.32920	0.7
71.22341	0.7
72.26550	0.6
75.00264	0.6
80.18018	0.6
91.05476	1.0
115.05430	1.8
117.07026	1.3
118.06532	39.3
137.79921	0.6
142.06503	2.7
143.07320	4.9
144.08070	21.1
146.05995	86.8
147.06348	1.4
160.07642	0.9
170.05994	7.5
188.07054	100.0
189.07373	1.2
229.99918	0.6
247.14357	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	247.1441
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
60.08162	64.7
71.90417	0.6
90.31473	0.6
91.05459	0.8
115.05460	1.9
117.07027	2.3
118.06535	35.8
142.06519	3.3
143.07280	4.1
144.08076	16.6
146.05998	77.6
147.06364	0.8
160.07545	0.9
161.24820	0.6
170.06029	5.5
188.07056	100.0
189.07430	1.6
247.14359	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	247.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95085	0.3
58.06591	0.6
60.08159	4.4
70.81700	0.5
94.03811	0.3
98.73475	0.3
104.10731	100.0
105.11075	0.6
177.99419	0.3
201.96295	0.3
203.95663	0.3
210.27866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03944	1.8
55.01867	4.1
55.05259	1.9
55.05510	26.5
57.03431	1.7
57.07066	1.5
59.04997	1.4
67.05498	17.7
69.07053	6.0
69.70692	4.7
71.04975	1.3
79.05042	2.6
79.05489	41.6
81.07059	15.2
83.04955	2.3
83.08613	5.5
91.05481	10.7
93.07044	24.8
94.09718	1.4
95.04962	4.1
95.08602	7.5
97.06526	2.6
97.10160	5.3
98.98475	15.6
99.23244	1.4
104.15437	1.5
104.99241	7.5
105.04503	1.9
105.07028	11.6
107.04948	36.1
107.08580	17.8
109.06518	2.7
109.10155	9.4
112.85899	1.3
117.07012	3.9
119.08574	5.9
121.06485	4.3
121.10141	14.8
123.11686	1.5
125.09587	3.7
131.08582	7.1
133.10130	5.9
135.08063	2.1
135.11697	7.0
137.09599	2.3
145.10088	5.2
147.11673	4.9
149.09608	100.0
149.13281	2.8
150.85039	1.2
151.11179	2.4
158.43195	1.4
159.11696	5.0
160.12085	1.5
161.13277	2.1
163.11206	2.7
163.14755	1.7
173.02147	3.7
173.13304	3.1
177.12746	4.5
187.14774	1.9
189.16357	2.3
196.88776	1.4
229.19472	6.6
247.05904	2.8
247.16870	5.0
247.20569	87.4
248.20930	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	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16904	0.6
55.05507	2.2
56.05034	1.1
67.05485	0.8
70.06588	1.8
72.08155	14.8
73.08479	1.6
74.06067	1.1
76.88699	0.5
82.99857	1.0
84.04502	0.8
84.08146	5.1
86.09717	1.3
87.04450	1.0
88.03999	0.7
91.05473	2.0
93.07043	2.6
94.06555	0.6
95.04948	0.8
98.06073	0.7
100.02480	2.1
101.00877	16.3
103.05470	14.2
104.05294	0.8
104.10744	6.5
105.11095	0.8
109.10163	0.6
116.07073	0.7
118.03522	22.4
119.01920	100.0
120.02032	2.1
120.08104	59.9
121.08453	1.0
122.06033	0.8
129.10255	1.2
130.03510	1.4
130.06535	3.0
130.08591	0.6
131.04927	4.4
136.04558	8.0
136.06223	1.4
137.02953	33.8
138.03105	0.6
138.42535	0.6
142.03471	1.2
150.05522	4.0
160.06064	2.6
172.09755	0.8
174.02524	1.0
178.07185	3.6
198.22606	0.6
202.07120	14.4
202.08464	0.7
203.05562	4.3
203.07272	1.0
206.06631	5.2
207.95972	0.6
219.84955	0.6
220.08182	4.7
221.06580	20.7
224.07727	0.9
230.06671	3.1
231.05089	1.5
238.09245	1.1
239.07610	5.0
242.08614	0.7
248.03448	1.3
248.07680	33.9
249.05980	10.4
249.07889	1.0
266.08746	24.9
267.06961	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	248.0916
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
61.02921	0.2
62.09110	0.1
70.10174	0.4
76.92297	0.2
78.04686	0.2
79.05504	0.3
81.31599	0.2
83.06187	0.2
91.05476	0.6
93.06995	0.2
98.23421	0.2
105.03412	0.3
107.04928	1.1
108.04495	0.2
118.06548	0.4
132.04445	0.5
133.05220	0.3
137.05969	0.3
145.05199	3.9
146.06000	3.2
147.06807	0.3
148.07578	0.7
158.05959	0.4
159.06845	0.3
160.03918	1.5
160.07590	0.6
162.05443	0.2
174.04256	0.2
174.05486	11.4
175.06270	19.2
176.07047	7.1
187.06264	0.3
188.07059	3.1
189.07811	0.8
190.05008	0.6
202.08699	0.4
206.08102	100.0
207.08455	2.2
220.09660	5.7
248.09154	64.5
249.09491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.86069	0.2
55.05523	0.2
57.54295	0.2
69.03399	0.2
69.07057	0.2
69.31715	0.9
70.06588	0.2
83.26931	0.2
91.05471	0.2
93.07035	0.2
98.23526	0.3
105.07068	0.2
117.05722	0.3
118.06533	5.8
119.07344	0.2
131.07294	0.2
131.08536	0.2
132.08070	3.0
133.08853	0.7
134.09627	1.3
144.08073	0.6
146.09621	2.1
147.10426	0.2
151.26689	0.2
159.10437	0.2
160.11180	0.6
161.12019	0.2
166.12230	0.3
173.12064	0.2
174.12779	1.4
176.14334	14.2
177.14655	0.4
190.08611	12.5
191.09242	0.3
195.06516	0.2
199.02885	0.2
200.85211	0.2
202.15863	2.5
203.16626	1.2
204.10179	6.6
205.10988	2.1
206.11722	0.5
218.11742	4.9
219.12224	0.2
220.13303	0.3
232.13255	0.5
248.16425	100.0
249.16747	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	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
50.62896	0.2
53.03939	0.4
55.05507	13.9
57.03428	0.3
59.04994	3.1
65.79300	0.2
69.40420	1.3
70.06590	1.0
71.74135	0.2
83.04977	4.4
86.06085	0.2
101.06010	8.4
132.08034	1.6
133.08847	3.8
148.11194	60.2
149.11517	1.2
248.16431	100.0
249.16760	2.5
251.45378	0.3
266.23502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01869	10.8
55.05505	1.0
56.05040	0.6
57.03432	11.3
59.04987	0.8
61.02924	4.8
67.05506	0.8
68.99791	3.6
69.03424	72.9
70.03757	0.8
70.06571	0.6
71.01350	2.0
71.04996	7.8
73.02909	8.1
79.05495	1.5
81.03410	36.4
81.07073	0.7
83.01339	1.8
83.04979	0.8
85.02898	100.0
86.03239	0.8
87.00823	42.2
87.04449	1.6
88.07648	1.9
91.03950	1.1
91.05489	1.1
93.07020	1.2
95.04952	1.9
97.02886	46.2
98.03231	0.7
98.05360	0.6
99.00799	1.0
99.04448	25.4
101.02375	2.6
103.03938	0.7
105.01859	19.6
105.07043	1.7
107.04990	1.0
107.08573	1.1
109.02868	24.0
109.04822	0.9
112.12400	0.6
115.03935	3.0
117.01860	0.9
119.08583	1.7
121.06552	0.7
121.10107	0.9
127.03905	57.0
129.01836	2.5
133.06380	0.6
133.10141	0.7
138.12012	0.6
145.04944	12.1
147.02853	1.5
157.10185	0.8
159.02899	6.2
161.09633	0.7
161.13199	0.6
171.02969	0.7
185.13318	0.9
189.03882	1.6
200.20114	2.3
213.03973	2.0
231.04962	6.0
231.06813	0.7
231.13721	0.9
237.18845	0.6
248.20064	0.9
248.22112	3.8
249.14859	1.9
249.22424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.8
55.01867	11.6
56.96563	11.0
57.03433	13.5
61.02914	7.3
69.03426	74.1
71.04993	10.5
73.02910	14.6
81.03404	43.3
83.04982	5.0
85.02904	100.0
86.34402	4.1
87.00825	53.1
91.05499	6.7
93.07053	6.7
95.04990	5.7
95.08643	5.4
97.02892	45.9
98.22688	14.8
99.04443	31.1
104.99303	7.0
105.01888	22.2
105.06993	6.9
107.08609	4.5
108.04411	5.1
108.20400	4.3
109.02883	28.9
109.04818	6.1
119.08557	5.4
119.46487	4.6
124.08425	4.3
127.03899	56.3
133.06506	6.8
133.10153	4.0
137.09749	4.3
144.09193	3.8
145.04987	11.5
159.02858	10.4
161.09595	9.9
165.09047	6.2
194.11832	4.6
231.05128	5.0
231.13890	7.9
249.05788	4.8
249.14772	9.8
260.11371	4.3
267.08948	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01859	9.9
55.05509	3.2
57.03430	18.5
59.04985	4.7
61.02913	6.9
67.05518	3.7
67.89598	2.8
68.99788	6.7
69.03066	5.0
69.03423	79.2
69.03802	3.8
71.04978	14.9
73.02905	10.7
79.05492	14.6
79.50138	3.2
81.03414	40.7
84.39406	2.7
85.02899	100.0
87.00822	49.5
91.05468	4.4
95.04944	9.0
97.02895	54.9
99.04458	31.1
101.02345	4.7
105.01837	18.3
105.07009	5.1
107.04964	18.7
109.02873	25.5
115.05419	3.0
117.01888	3.5
117.06958	3.2
119.04940	5.9
119.08579	2.8
123.04416	8.3
127.03909	51.7
129.01884	3.1
129.06941	4.6
131.04773	3.2
133.06476	3.4
133.10269	3.2
135.04425	17.5
137.05898	4.0
141.56970	2.5
143.08618	4.6
143.29001	2.7
145.04939	9.8
148.11186	38.0
149.05960	4.9
149.11557	12.9
157.06435	2.5
157.10158	4.3
159.02888	3.9
160.05193	4.9
161.05960	16.6
161.09624	5.9
163.11168	2.8
171.08028	8.2
175.07475	4.2
185.09631	9.5
189.09087	46.6
191.01404	2.9
203.10669	6.0
213.04044	2.9
213.09082	10.0
231.05014	5.8
231.10106	11.2
248.16444	32.9
248.20119	8.8
249.11137	17.8
249.16788	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	249.1485
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
53.03936	1.8
55.05506	15.9
57.49493	1.5
59.04992	2.3
61.71668	1.4
67.05497	4.1
69.03426	3.4
69.07050	2.1
69.40562	6.5
71.04980	3.9
79.05476	2.3
81.03409	2.4
81.07043	6.5
82.27872	1.4
83.04975	100.0
84.14396	1.2
85.02898	4.8
91.05492	7.8
93.07026	8.1
93.28175	1.4
95.04964	5.0
95.08604	3.6
97.02884	2.4
99.04468	5.4
105.07001	9.8
107.04985	1.4
107.08583	9.8
107.93146	1.5
109.06517	5.7
109.10172	4.0
111.08101	1.4
115.05485	1.7
117.07050	2.0
119.08604	9.2
121.06495	6.4
121.10152	3.8
123.08079	8.2
127.03902	2.1
128.06190	2.0
129.07004	4.1
131.08577	8.8
133.06560	1.9
133.10089	3.1
135.08055	5.6
137.09578	1.7
142.07793	2.4
143.08534	5.5
145.10120	5.2
147.08051	7.3
149.09592	6.7
155.08551	1.5
156.09285	2.5
157.10158	3.3
159.08049	2.2
159.11687	1.7
161.09595	4.5
161.13274	1.7
165.07034	2.7
165.09099	5.2
170.10832	2.1
171.08046	1.9
171.11662	4.1
173.09601	20.2
175.07571	5.9
177.09059	2.0
185.13271	5.8
189.09215	1.6
189.12746	6.5
193.08548	1.9
194.25493	1.2
195.11719	3.3
203.14320	5.2
213.12708	18.6
225.08565	1.5
231.13751	30.0
249.14842	20.2
249.18674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
55.05507	19.3
57.03439	6.8
57.07075	3.8
59.05000	4.3
67.05495	10.9
69.03421	11.8
69.07051	3.6
79.05469	6.1
81.07043	12.9
83.04977	100.0
85.02902	10.0
85.06517	4.0
91.05471	12.3
93.07034	9.9
95.04977	5.3
95.08596	24.2
97.02878	3.4
104.53841	2.7
105.07039	10.4
105.19312	2.6
107.04970	2.9
107.08601	11.8
109.02886	3.3
109.06515	41.3
109.10136	4.2
117.07011	6.0
117.32365	3.3
119.04926	4.9
119.08614	15.6
121.06502	11.2
121.10150	7.1
123.08053	13.5
129.06987	4.4
131.08559	4.5
133.06465	3.5
133.10121	7.3
135.08072	14.6
135.11734	3.5
137.09630	3.6
141.09129	16.8
142.07800	3.6
143.08565	5.8
145.10059	5.2
147.08063	14.9
149.06046	3.0
149.09564	15.8
151.07480	4.2
155.85582	2.9
157.10103	6.9
161.09572	20.7
161.13300	3.8
165.09102	5.5
170.10904	5.6
173.09605	5.4
175.07579	11.2
175.11209	6.8
175.14807	4.4
177.09128	8.4
185.13312	5.0
189.09106	6.0
189.12712	5.4
198.10385	5.2
203.14326	16.2
211.09825	5.2
213.12755	11.3
217.01845	4.2
230.92117	3.0
231.10152	18.0
231.13776	39.1
249.14871	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	249.1485
Annotation	Dehydroipomeamarone
Peak:m/z	Relative Intensity
55.01870	1.5
55.05301	0.9
55.05510	11.6
60.68691	0.9
61.88929	0.9
65.11976	1.0
65.78713	1.0
67.05499	10.6
69.57135	2.1
69.57505	3.7
78.44355	1.0
79.05482	1.3
80.94824	1.2
81.07055	4.7
83.04980	100.0
85.06535	1.6
93.07014	2.7
95.04967	1.7
95.08601	5.7
100.45853	1.2
104.99253	3.2
105.07053	1.1
107.08604	1.9
108.75648	1.0
109.06525	3.1
109.10159	35.1
118.18645	1.0
119.08572	3.1
123.08045	1.2
133.10179	1.0
137.09613	27.5
147.08055	2.3
149.09654	1.1
161.09587	1.1
165.09114	54.6
166.39648	1.1
175.07567	1.1
175.39479	1.0
189.12706	1.0
231.13849	6.1
249.14835	9.3
249.18570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	Anthecotuloide
Peak:m/z	Relative Intensity
55.01861	1.5
55.05507	12.8
59.04997	1.0
63.57421	0.7
67.05500	10.0
69.24461	2.9
79.05469	0.8
81.07063	4.3
83.04977	100.0
84.05303	0.9
90.97762	0.7
91.05452	1.2
93.07034	2.3
94.47646	0.7
95.04963	2.5
95.08602	6.2
98.22681	1.3
104.99298	1.6
105.07023	1.1
107.08584	1.1
109.06470	3.5
109.10152	36.3
110.10528	0.7
119.08611	1.5
121.06494	0.9
121.10097	1.1
123.08062	1.0
128.18643	0.5
135.74841	0.6
137.09610	28.7
139.07542	0.9
140.34189	0.5
147.08051	1.6
149.09526	0.7
161.09610	1.3
161.60785	0.6
165.09102	49.0
166.09485	1.1
175.07497	0.9
175.56970	0.6
193.08595	0.6
203.14273	1.0
206.85663	0.6
231.13814	6.7
249.14836	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	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	0.9
55.01870	10.8
55.05510	13.5
57.07076	3.0
57.49644	0.5
59.05015	0.6
63.74058	0.5
65.03947	0.9
67.05502	17.7
69.03413	1.7
69.06710	0.8
69.07067	12.2
71.04985	1.2
71.08614	1.4
73.06544	0.5
79.05048	0.7
79.05492	14.6
81.07053	53.9
83.04975	4.5
83.08614	3.6
85.06518	1.2
91.05477	7.3
93.07045	12.6
95.04958	2.3
95.08017	1.0
95.08602	14.5
97.06517	1.8
97.10146	0.6
104.99247	0.6
105.07031	10.9
107.08594	10.9
109.06512	17.7
109.10154	8.3
111.04439	21.3
111.08084	1.5
112.04758	0.5
113.06042	0.6
117.07012	1.1
119.08574	13.6
121.06517	0.8
121.09265	0.9
121.10137	12.4
123.08070	5.1
123.11680	4.3
125.05983	6.8
125.09616	0.7
128.06264	0.9
129.06967	1.0
131.08565	2.5
133.10127	11.9
135.08043	9.4
135.11679	6.6
137.05971	100.0
137.09572	1.6
137.13254	3.4
138.06688	1.1
139.07503	0.9
139.11147	0.7
142.07805	1.3
143.08559	3.7
145.10120	3.4
146.07263	1.6
147.08026	3.6
147.11670	15.5
149.09613	5.1
149.13248	4.2
151.07544	4.8
151.11163	3.8
156.09409	0.8
157.10117	3.9
159.11702	2.9
160.08865	1.5
161.09612	20.5
161.13242	6.9
163.11169	7.5
163.14806	2.3
165.09142	3.7
165.12746	1.5
167.10695	1.1
169.10179	0.6
171.11670	1.8
173.13260	1.6
175.09662	0.8
175.11177	14.3
175.12645	0.9
175.14816	3.8
177.12740	1.8
179.10625	4.0
181.12244	0.6
185.13249	1.0
189.12759	4.1
193.12302	2.4
203.14330	0.9
203.17940	19.4
204.18362	0.7
205.19525	2.9
213.16319	5.3
220.14897	0.5
221.18988	5.7
231.17422	21.3
239.80983	0.6
240.56784	0.6
248.11133	0.6
249.18486	16.3
249.20934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03706	1.7
53.03944	24.9
55.01872	7.2
55.05264	2.2
55.05509	32.5
57.03436	2.4
57.07066	6.5
59.04985	2.5
64.00980	1.4
64.47260	1.3
65.03928	2.3
67.05499	58.7
69.03411	2.1
69.07062	46.7
69.41428	5.7
71.04977	3.2
71.08623	3.1
75.84292	1.2
77.93245	1.6
78.55803	1.2
79.05489	31.7
80.32869	1.2
81.03411	79.8
81.07051	60.7
83.04972	18.7
83.08618	9.4
85.06525	1.9
85.10176	4.1
91.05476	14.3
93.07037	24.4
95.04964	39.2
95.08603	24.5
97.06506	5.5
97.10175	11.2
98.23425	2.8
98.58826	1.4
99.08064	2.8
105.07013	16.3
107.08044	1.4
107.08598	15.8
109.06499	12.6
109.10153	16.8
111.08037	1.8
111.47934	1.4
113.09632	2.8
119.08583	9.2
121.10136	10.1
123.08060	3.6
123.11685	10.7
125.09620	1.5
131.08510	1.9
133.10121	16.9
135.11659	6.0
137.13245	2.3
141.43243	1.3
147.11665	7.1
149.13264	4.4
151.11171	40.5
153.12701	2.5
157.58777	1.2
161.13272	7.2
165.12740	14.1
166.79355	1.3
175.14914	2.5
177.16409	2.4
179.14279	7.6
191.17981	2.2
193.15906	2.5
231.21001	8.4
249.22125	100.0
250.22429	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	250.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
57.03429	0.4
66.78878	0.3
67.05507	0.3
69.07065	3.1
69.60173	1.1
73.06550	0.5
79.05492	0.9
89.39002	0.3
94.04057	0.8
95.04984	0.3
97.06525	2.8
98.98459	10.2
102.32327	0.2
116.99490	0.4
119.03539	1.8
136.06175	100.0
137.04590	0.9
137.06549	0.8
174.07724	1.5
174.99223	0.4
232.11902	0.6
250.12968	91.5
251.13298	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	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01847	1.0
55.05496	1.7
62.78614	0.6
62.93133	0.5
66.04347	0.8
67.05495	5.2
69.03418	1.7
69.07072	3.2
69.41920	3.6
71.04984	3.1
79.05494	7.8
81.03424	0.8
81.07053	10.6
83.04968	3.8
84.04459	1.5
84.29462	0.7
84.93993	0.6
91.05485	5.5
93.07036	8.1
95.04963	6.1
95.08602	2.8
96.60869	0.6
97.06519	3.3
98.98460	100.0
99.04468	3.4
105.07026	12.4
107.04954	7.0
107.08591	5.3
109.06527	6.4
115.05480	0.9
116.99493	1.6
117.07005	4.4
119.04924	1.8
119.08590	2.9
121.06490	6.0
121.10152	1.9
123.08087	5.9
125.06007	2.4
126.86847	0.7
127.47776	0.7
129.07021	1.4
130.04990	1.2
130.07762	2.4
131.08565	5.2
133.06494	1.8
133.10077	0.8
135.08057	1.9
135.11696	1.1
137.05963	5.6
137.09584	0.8
139.07530	1.1
141.09036	1.3
143.08582	1.1
144.09370	1.5
145.06494	2.4
145.10109	20.8
147.08043	1.6
147.11627	1.3
148.08867	1.3
149.09627	1.5
151.07532	0.8
157.10146	0.8
158.07286	0.7
159.08008	1.6
159.11708	7.2
163.11174	38.8
169.10130	2.4
172.08781	0.8
173.09590	8.6
174.99220	3.1
177.12784	1.1
187.11165	14.5
191.10606	6.3
197.09648	2.3
205.12204	5.7
215.10635	8.6
215.26938	0.9
233.11737	7.5
233.15373	2.3
234.07480	0.8
234.12163	1.0
251.10391	1.3
251.12770	4.5
251.16470	1.3
274.65283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
56.05035	1.3
59.04257	0.2
62.07199	0.2
69.03426	0.2
70.68166	0.3
77.03940	0.3
79.05480	1.9
84.04500	30.2
85.02924	0.5
89.15833	0.2
95.04972	0.3
95.82067	0.2
98.98463	15.6
102.05544	0.6
103.05447	1.3
105.07024	100.0
106.07362	1.3
116.99493	0.4
122.09660	34.0
123.10000	0.6
130.05002	4.2
130.41838	0.2
133.55775	0.2
143.64647	0.2
165.07047	0.4
174.99245	0.6
180.09346	0.5
192.08411	0.2
201.18576	0.2
205.13358	5.4
223.11156	0.5
234.11240	23.2
235.11581	0.5
251.11055	0.4
251.13928	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	251.1642
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01862	0.4
55.05505	1.5
57.03441	2.5
57.07063	0.7
59.05004	0.6
67.05502	2.7
69.03428	1.1
69.07066	1.4
70.61651	0.5
71.04983	0.5
79.05500	1.8
81.06621	0.5
81.07053	5.8
83.04976	2.6
84.04480	2.2
85.02899	4.1
85.06538	2.5
91.05468	2.3
93.07051	4.1
95.04950	1.8
95.08591	3.3
97.02859	0.4
97.06521	0.7
98.98460	100.0
99.08092	0.7
105.04589	0.4
105.06999	4.5
107.04935	0.8
107.08596	3.3
109.06508	5.1
109.10138	2.4
111.08078	1.1
115.05443	0.4
116.07099	0.4
116.99512	2.6
117.07012	0.9
119.08589	1.1
121.06509	1.8
121.10134	1.5
122.02734	1.2
123.08060	45.3
123.11684	1.2
124.08382	0.6
125.09612	1.5
130.04941	0.4
130.07736	0.4
131.08565	2.6
133.06519	0.5
133.10138	1.7
135.08060	2.3
135.11690	0.6
137.06000	0.8
137.09612	2.3
141.09091	16.7
142.03220	0.5
145.06514	0.4
145.10149	1.9
146.06004	0.4
147.07953	0.4
147.11664	0.5
149.09622	2.9
151.07524	1.0
151.11157	2.5
157.46573	0.4
159.08022	0.9
159.11644	0.7
161.09604	0.5
163.07539	1.4
163.11176	1.1
165.09105	1.4
167.10652	1.5
173.09654	1.3
173.13292	0.6
174.05560	0.5
174.99205	2.9
175.06285	1.0
175.11215	0.6
177.09096	0.8
177.12743	1.8
187.11136	0.8
187.14795	1.2
191.10649	0.8
191.14297	0.5
197.13232	0.7
205.12273	0.7
205.15865	1.6
206.08110	5.3
215.14258	4.1
233.15347	25.8
234.07620	5.0
234.15732	0.7
236.05333	0.4
251.04662	0.6
251.10338	5.3
251.12741	0.6
251.16418	4.8
252.16238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
53.03939	0.5
55.01864	0.7
55.05497	2.8
57.03421	1.7
58.90943	0.5
59.05002	1.2
65.68114	0.5
67.05495	5.2
69.03426	1.8
69.07069	1.8
69.78170	1.3
69.78528	0.9
71.04984	0.9
74.63664	0.5
79.05477	3.0
81.03382	0.8
81.07047	7.1
83.04973	2.7
83.56434	0.5
84.04507	2.3
85.02895	2.5
85.06535	3.6
91.05470	3.3
93.07024	5.2
93.41830	0.5
95.04969	2.4
95.08593	5.7
97.02898	0.7
97.06479	0.7
98.98457	100.0
99.08029	0.6
101.43394	0.5
103.05412	0.6
105.07008	5.6
107.04894	0.8
107.08587	3.4
109.06510	6.6
109.10152	3.7
111.08084	2.6
116.07091	0.7
116.99487	1.6
117.07031	1.2
119.08549	3.2
121.06475	2.2
121.10132	1.8
121.41267	0.5
122.02705	1.2
123.08057	73.9
123.11683	1.9
124.08389	0.9
125.09655	2.6
130.07791	0.7
131.08575	3.8
133.10114	3.1
135.08081	3.5
135.11693	1.1
137.08725	0.5
137.09590	3.2
141.06972	0.5
141.09088	8.6
142.03168	0.6
143.08447	0.6
145.10135	3.5
147.08043	0.8
147.11632	1.1
149.05971	0.8
149.09608	4.7
151.07527	1.3
151.11133	3.1
159.08026	1.9
159.11621	0.8
161.09648	1.0
163.07504	2.0
163.11172	0.8
165.09132	2.5
167.10637	2.0
168.62788	0.6
173.09634	1.7
173.13335	0.6
174.99207	2.9
175.11168	0.6
177.09084	1.4
177.12781	1.2
187.14792	1.6
191.14204	1.4
197.13223	1.2
205.08470	0.6
205.12125	0.5
205.15878	2.3
215.14291	6.5
229.19424	0.5
233.15343	44.6
234.15694	1.2
242.40619	0.5
251.04681	0.8
251.16397	7.6
251.18924	0.7
251.19899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.70452	1.3
53.03940	2.1
54.09524	1.3
55.05513	15.3
57.07069	2.5
59.05002	2.2
65.03928	3.8
66.85552	1.4
67.05502	100.0
69.07068	11.3
69.96521	2.8
71.04976	2.2
73.02921	1.3
79.05486	26.2
81.07053	90.6
83.04955	2.6
83.08619	15.6
85.06536	3.8
91.05477	13.8
93.07043	28.8
95.04977	2.5
95.08601	82.5
97.06516	8.9
97.10158	5.5
98.98461	42.3
99.08112	3.1
105.04532	1.7
105.07012	7.3
106.07425	1.5
107.08587	16.2
109.06553	2.9
109.10152	34.5
111.08092	6.5
119.08577	9.1
121.10129	25.7
123.08073	2.7
123.11702	11.8
125.09615	1.3
129.73065	1.2
131.08546	3.7
133.10115	15.5
135.11713	13.3
137.09598	4.3
137.13231	3.2
141.09183	1.3
141.69923	1.3
144.87387	1.5
145.10095	3.2
147.11676	5.0
149.09630	1.5
149.13271	6.7
151.11163	6.1
159.11659	3.3
173.13231	2.9
177.12704	2.6
181.12302	1.5
187.14598	1.4
191.18034	1.6
195.13806	2.9
205.98737	2.0
215.17876	13.3
233.19019	10.7
251.04808	1.7
251.20050	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	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.05501	9.7
59.04992	1.6
60.74014	0.7
65.03925	2.1
67.05499	58.7
69.07065	9.0
70.56055	0.9
70.56394	1.3
71.04982	1.5
75.77225	0.8
79.05486	16.8
81.07051	59.5
83.04980	1.7
83.08611	7.6
85.06505	1.1
91.05463	8.0
93.07036	16.8
95.04940	2.1
95.08597	49.7
97.06521	5.4
97.10166	3.8
98.23349	0.9
98.98457	100.0
99.08080	1.7
105.07047	6.2
107.08588	11.2
109.09421	1.3
109.10149	21.9
111.08081	3.7
116.99496	2.7
117.07014	1.1
119.08559	6.3
121.10130	16.6
123.08114	1.0
123.11686	8.8
125.09646	1.7
131.08592	3.1
133.10118	9.4
135.11691	9.0
137.09613	3.7
137.13220	2.1
139.11211	1.2
140.01042	1.0
145.10127	4.4
147.11679	2.6
149.13257	3.9
151.11197	4.6
153.51195	0.8
159.11665	3.7
160.04773	0.8
163.11143	1.1
173.13283	2.5
174.99219	2.9
177.12704	1.4
179.29150	0.7
181.12271	1.0
191.17920	2.0
195.13757	1.9
215.18007	6.6
233.18977	5.4
251.20103	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	253.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34734	0.4
55.05507	2.7
55.97239	0.4
56.75009	0.4
57.07071	0.6
62.09279	0.5
67.05502	4.1
69.07065	2.3
71.42754	0.6
79.05486	5.2
81.07055	5.7
83.08603	1.2
91.05473	5.6
93.07039	6.7
95.04967	0.7
95.08600	6.0
97.10158	0.6
98.98463	20.2
105.07018	9.3
107.08590	7.9
109.02319	0.4
109.06474	0.4
109.10147	4.4
115.05466	1.1
116.99551	0.5
117.06996	3.3
119.06065	0.5
119.08569	6.0
120.51699	0.4
121.10133	2.6
123.11700	0.7
128.06216	2.0
129.06989	4.4
130.07782	1.6
131.08554	7.7
133.06371	0.4
133.10132	3.5
135.11661	0.8
141.06976	3.8
142.07753	2.9
143.08553	11.4
144.09314	1.7
144.76997	0.4
145.10118	9.8
147.11667	4.9
153.06998	1.2
154.07748	1.2
155.08551	11.6
155.09799	0.8
156.09337	3.9
157.10118	9.3
158.10669	0.4
159.11684	20.0
160.12036	0.4
161.13234	2.1
167.08563	2.3
168.08035	0.6
168.09309	3.2
169.10117	13.6
170.10867	1.8
171.11679	8.4
173.13245	4.4
174.99287	0.4
181.10065	2.5
182.10915	4.5
183.11678	16.6
184.12361	1.5
185.13246	19.5
186.13614	0.5
195.11758	2.5
196.12465	2.8
197.13240	22.9
198.13977	2.7
199.14790	1.9
209.13165	3.2
210.13945	1.2
211.14803	16.5
211.16844	0.8
212.15346	1.1
223.14777	2.1
224.15558	1.9
225.16362	3.4
238.17134	2.0
253.19492	100.0
254.19843	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47183	1.8
60.83589	1.8
67.18356	1.9
70.35003	1.8
71.01352	13.6
71.15331	2.6
75.04484	2.3
80.05028	2.6
81.07045	5.6
81.28157	2.2
83.06093	3.0
93.04517	4.2
95.06085	6.7
98.98463	20.4
101.00874	11.2
103.03931	5.8
109.24323	1.6
109.55215	2.1
110.07161	22.8
119.01918	28.1
123.05551	31.2
128.01929	2.7
129.05063	2.0
130.03490	5.3
131.03391	10.4
133.04852	2.4
137.02939	7.0
138.02748	3.9
144.02864	2.5
145.04675	6.6
153.05099	2.1
155.03043	12.0
156.03790	39.3
157.04971	5.9
159.02887	33.3
159.04889	3.8
163.05655	3.6
163.12354	9.5
166.02959	3.0
166.04601	11.0
167.05411	22.4
171.06133	5.6
173.04170	3.2
174.04832	9.1
183.04871	4.5
184.05646	7.7
185.06438	18.4
191.05464	5.1
193.77101	1.9
201.05960	16.0
208.14412	13.8
212.03990	8.7
213.04680	12.0
219.04976	16.0
219.06947	3.5
230.04822	2.8
230.07043	2.4
231.05737	100.0
232.05954	2.4
249.01221	5.7
249.06741	5.9
254.00610	2.5
254.05002	4.7
254.15031	18.1
255.06508	2.4
266.28897	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60905	2.0
51.76171	2.4
59.32749	2.0
59.97680	2.3
60.04523	2.9
61.02915	8.6
71.01341	7.8
75.04481	18.9
85.64271	2.4
86.09723	2.8
87.04460	6.0
89.02409	4.4
98.98497	14.8
103.03953	23.8
110.07153	3.0
121.08504	2.4
126.01080	2.5
131.03400	7.9
159.02888	62.7
176.10869	2.1
219.04974	100.0
220.05324	3.2
245.89740	2.5
254.08215	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	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.16742	0.4
57.03440	2.3
59.04998	0.5
61.02911	1.3
69.03437	1.9
69.07066	0.8
69.74635	0.8
71.01353	0.8
73.02914	6.2
78.03457	0.9
78.71153	0.4
80.05017	3.1
84.04490	0.6
85.02901	2.1
85.87199	0.4
86.09702	5.2
88.45227	0.4
97.01380	1.0
97.02875	0.9
98.22782	0.5
98.97548	0.5
98.98466	1.8
100.13669	0.4
101.00850	1.1
103.03948	0.4
106.02913	6.0
114.04041	0.9
115.02450	2.5
115.03932	1.1
116.10777	0.5
117.03998	0.8
119.01911	3.0
123.05546	100.0
124.02478	0.6
124.05891	1.1
130.03511	1.9
131.01854	0.5
132.05051	1.2
133.03415	0.7
133.04971	1.6
137.02911	0.4
142.03511	5.9
142.07149	1.0
143.01837	0.5
143.03627	0.5
145.03481	0.7
150.06133	0.9
154.03499	1.3
159.06084	0.4
160.04538	11.5
160.08179	1.1
161.02943	1.1
162.09689	0.4
172.04533	4.7
172.08145	2.7
182.10393	0.4
186.09827	0.9
190.05565	0.8
197.17024	0.4
204.10779	0.6
207.09737	0.8
209.11340	1.7
210.09787	0.6
213.59993	0.8
214.09274	1.4
222.08578	0.5
225.10829	1.9
227.12479	2.7
228.10791	0.7
232.10358	3.0
237.10818	3.8
255.09567	0.5
255.11893	6.0
256.10294	1.4
273.12949	8.9
274.11264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68761	0.2
55.01868	1.3
57.03434	2.5
57.34957	0.2
59.04983	0.2
61.02911	0.9
69.03420	1.6
69.48869	0.9
69.49265	0.3
71.01344	0.7
73.02911	5.9
78.03452	1.1
80.05006	3.1
85.02901	1.4
89.37706	0.2
96.04485	1.0
97.02843	1.1
97.19157	0.2
106.02912	5.7
115.03924	1.6
116.32261	0.2
123.05539	100.0
124.03909	1.1
124.05898	1.2
133.04961	1.7
134.08740	0.2
144.10205	0.8
236.55006	0.2
240.22484	0.2
255.09915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
50.20275	0.5
51.70059	0.4
53.03941	3.0
53.50122	0.5
55.01858	0.9
69.03417	0.8
69.32841	2.9
79.05477	1.6
83.47016	0.4
91.05472	2.4
95.04935	0.7
97.02875	0.8
105.07006	1.6
109.02872	8.1
110.36587	0.5
115.05428	2.5
117.07022	4.3
121.06492	1.7
128.06209	10.9
128.07173	0.6
129.06998	6.0
130.07733	0.5
131.08563	0.6
135.04396	1.7
141.06978	3.4
142.07765	5.1
143.08545	12.0
145.06467	11.2
153.06931	2.5
155.06039	1.1
155.08516	3.1
156.09323	7.2
157.06490	1.1
157.10144	2.6
158.07277	1.8
159.07996	1.5
165.06970	4.9
166.07765	6.9
167.08554	1.6
168.05708	3.6
168.09293	1.3
169.06441	4.3
169.07724	0.6
170.07220	1.4
171.08041	13.3
171.11664	4.0
173.05959	3.2
178.07770	0.8
181.06508	1.3
181.10086	2.8
182.07280	2.0
183.08038	13.1
184.05260	1.3
184.08807	10.6
185.06026	1.3
185.09593	13.2
186.09914	0.6
187.07542	0.8
194.07236	1.5
195.08049	2.1
196.08798	2.0
197.05989	3.6
197.09644	2.7
198.06725	1.7
199.07524	16.1
199.11147	9.3
201.36841	0.4
209.09590	9.0
211.07510	18.8
212.08307	13.5
213.09079	10.6
214.09503	0.6
225.09082	9.8
226.09865	7.7
227.10645	25.1
228.10968	0.6
237.09010	1.4
240.07819	3.6
255.10133	100.0
256.10452	4.1
265.11307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
53.03939	3.0
55.01862	1.1
55.05511	0.6
55.42266	0.6
60.22243	0.6
65.03934	0.5
69.03424	1.8
71.14457	0.6
74.33952	0.6
79.05477	1.5
81.03359	0.6
83.04969	1.2
87.21388	0.5
91.05463	1.9
95.04967	1.0
98.98457	1.0
105.07021	1.4
109.02869	8.8
115.05457	1.9
117.06982	2.4
121.06494	2.2
128.06215	10.3
129.07014	5.0
129.27960	0.5
131.08466	0.7
135.04388	1.9
141.07025	3.0
142.07762	6.0
143.08548	10.3
145.06467	9.5
152.06108	0.9
153.06950	2.0
155.06061	1.1
155.08575	2.9
156.09348	5.9
157.06499	0.8
157.10092	2.4
158.07234	1.9
159.08057	2.0
165.06967	4.9
166.07773	4.9
167.08525	1.2
168.05704	3.8
168.09312	1.0
169.06429	4.5
170.07257	1.3
171.08029	10.7
171.11592	4.2
173.05981	3.2
179.08430	0.8
181.06503	1.5
181.10095	2.2
182.07224	2.0
183.08054	10.8
184.05142	1.3
184.08820	7.9
185.06023	0.9
185.09605	13.7
187.07515	1.0
194.07242	1.7
195.08034	1.8
196.08821	1.5
197.05914	3.9
197.09578	1.1
198.06711	3.6
199.07523	15.3
199.11180	9.5
209.09586	8.7
211.07506	16.8
212.08292	10.4
213.09074	11.6
225.09053	9.7
226.09863	7.7
227.10634	24.3
237.09015	2.0
239.06996	0.6
240.07634	3.0
255.10132	100.0
256.10464	4.3
256.29993	1.7
273.15982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
51.53979	0.5
53.03955	2.8
55.01855	0.8
60.47254	0.5
67.05508	0.7
69.03420	1.6
69.36184	1.0
69.36578	2.4
75.38155	0.5
79.05496	1.6
82.60062	0.5
89.46041	0.5
91.05482	2.0
95.04956	1.8
98.98466	2.3
105.07030	1.2
107.04983	0.7
109.02878	7.8
115.05450	2.1
117.07025	2.8
121.06525	1.4
128.06227	12.3
129.07011	5.6
129.15764	0.5
131.08563	1.0
135.04434	1.3
141.06996	4.3
142.07758	4.7
143.08566	12.5
145.06476	9.2
152.06093	0.5
153.07018	1.7
155.05998	0.9
155.08527	1.7
156.09344	6.7
157.06557	0.9
157.10088	2.2
158.07262	1.5
159.08067	1.3
165.06999	4.5
166.07785	6.1
167.08524	1.3
168.05635	3.4
168.09332	1.0
169.06473	4.4
170.07265	1.5
171.08061	9.2
171.11667	3.8
173.05966	2.4
179.08543	0.6
181.06467	2.4
181.10114	1.9
182.07283	1.7
183.08041	10.9
184.05220	2.1
184.08824	8.6
185.09599	9.0
187.07607	0.7
194.07310	1.6
195.08015	2.1
196.08832	2.0
197.05956	4.4
197.09604	1.1
198.06796	2.4
199.07561	12.4
199.11183	8.1
209.09610	7.9
209.11545	0.9
211.07530	17.6
211.09575	0.8
212.08301	10.3
213.09097	9.2
225.05516	1.0
225.09077	9.2
226.09906	3.7
227.08403	1.0
227.10667	19.2
237.09125	1.0
240.07790	3.0
255.10147	100.0
256.10501	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	255.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89616	0.9
55.01864	1.5
56.96564	3.0
57.03430	2.6
61.89944	0.8
69.03401	1.0
69.07069	2.3
70.06599	1.0
70.27023	2.5
70.43756	0.8
71.01357	1.0
72.08140	1.5
73.02911	3.4
78.03445	1.0
80.05004	1.7
82.99829	1.1
84.08144	1.7
84.37480	0.8
85.02904	2.5
86.09705	39.1
87.10042	1.1
95.06061	0.9
97.02888	1.2
97.06510	3.5
98.97585	2.4
98.98465	15.8
101.00878	12.0
106.02936	5.6
110.07160	7.4
115.03950	1.2
116.98631	1.7
118.03506	2.2
119.01919	32.6
120.02014	4.2
123.05548	100.0
124.05901	1.2
130.03543	0.9
131.01880	1.8
133.04988	2.7
137.02950	8.6
138.02998	1.8
142.55952	0.9
146.04652	1.4
149.02959	1.2
155.03020	1.3
156.03036	1.8
156.07707	2.6
156.97572	1.0
157.03917	5.6
158.03560	1.0
168.05530	3.2
168.08710	1.1
172.04546	1.8
172.06194	1.0
172.08060	1.1
173.06625	0.9
175.09789	1.1
177.00951	1.4
183.05028	1.0
185.06029	1.3
186.06544	3.0
186.09752	26.7
189.04590	1.4
196.08145	1.2
197.06621	2.1
202.06125	3.6
204.10812	8.7
207.05640	1.6
208.99496	1.3
209.05873	1.3
214.04800	1.3
214.09239	30.4
215.07611	1.4
219.01979	1.9
231.05737	2.8
232.05879	16.4
232.10291	82.7
233.05527	4.7
233.10553	1.5
250.06595	1.0
252.07108	1.8
252.09457	1.6
252.59358	1.6
255.06122	2.0
255.11835	1.1
255.15256	1.5
256.03058	1.4
259.00018	1.3
261.03113	1.1
273.06677	1.7
274.11301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01862	5.3
55.05508	38.7
56.97654	1.7
57.03435	53.6
57.07071	10.6
58.06589	2.3
65.03925	5.1
67.05501	92.0
69.03413	4.1
69.06712	1.9
69.07066	28.8
69.42617	3.1
69.43013	3.9
70.06583	3.8
71.01337	5.1
71.05003	9.0
71.08617	1.9
79.05490	96.7
81.03428	15.4
81.07055	54.2
83.04971	25.9
83.08619	8.2
85.06529	6.5
85.95564	1.6
86.06071	3.2
88.07612	3.5
91.04939	3.0
91.05473	36.8
93.07040	96.9
95.04967	15.2
95.08025	1.9
95.08596	24.5
97.06530	24.3
97.10168	17.6
98.98457	21.0
99.04406	1.8
99.08074	4.1
100.07610	6.6
102.09176	3.5
105.04534	3.3
105.07024	18.2
107.04935	4.1
107.08588	59.5
109.06510	4.7
109.10140	15.0
111.08048	4.0
115.05453	2.0
117.07005	12.0
119.08566	18.1
121.06493	6.2
121.10135	18.3
123.08047	2.3
123.11670	1.9
125.09634	4.1
128.06197	4.1
129.07004	6.9
130.07799	3.3
131.04895	1.8
131.08578	10.9
133.10117	9.3
135.08080	3.3
135.11685	100.0
137.09561	2.0
141.06970	4.1
142.07780	6.7
143.08548	21.3
145.06499	6.0
145.10114	29.8
147.08022	5.6
147.11653	7.1
153.12724	2.8
155.08539	8.8
156.09341	4.6
157.06535	2.0
157.10112	22.0
159.07997	6.7
159.11682	12.4
161.09569	1.8
161.13301	3.0
163.11188	14.5
165.07001	3.1
166.07787	2.1
167.08577	3.0
168.09261	2.5
169.10089	8.0
170.10950	3.0
171.08089	6.8
171.11665	18.9
173.09579	6.6
173.13228	9.8
174.13997	5.5
175.09798	3.1
175.14799	2.0
180.09291	2.4
181.10109	5.9
181.12206	12.7
182.10822	1.6
183.08008	4.0
183.11711	4.0
185.09612	18.8
185.13251	14.1
187.11197	2.0
187.14847	2.1
193.10095	2.8
195.08035	2.7
195.11688	6.0
196.08755	1.4
197.09615	5.4
197.11441	1.4
197.13286	3.3
198.10242	2.1
199.11206	8.3
199.13068	1.7
199.14871	9.7
200.11971	1.6
201.95477	1.4
209.05939	4.1
209.13231	5.8
211.11176	5.5
211.14769	2.8
212.12018	3.3
212.15399	1.9
213.09116	1.9
213.12711	8.3
213.16327	3.9
222.10379	1.5
225.09137	2.6
225.12616	2.6
226.13559	1.6
227.14337	9.1
227.17860	9.5
237.12703	4.7
237.16328	3.3
240.11514	5.0
240.14713	4.1
254.24722	13.2
255.06668	4.2
255.13686	40.8
255.15820	26.4
255.17567	30.5
255.21097	38.4
255.25049	11.8
256.14108	1.7
256.26315	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03659	0.7
53.03932	1.6
55.01859	1.7
55.05508	4.7
57.03426	3.9
57.07075	6.4
59.73037	0.6
67.05504	6.6
69.03438	1.5
69.07063	4.4
70.04488	0.7
70.06596	10.1
71.08632	1.7
72.57996	0.6
78.14713	0.7
79.05499	4.9
81.03412	10.2
81.07053	5.6
83.04961	1.6
83.08606	1.0
83.74094	0.7
85.06512	1.1
88.07626	11.1
89.33152	0.6
91.05478	8.6
93.07047	4.9
95.04962	6.6
95.08600	8.2
97.06535	1.2
98.98465	10.0
102.09171	10.9
103.05513	1.0
105.07031	10.4
107.04944	1.8
107.08585	5.5
109.06522	5.2
109.10136	3.3
115.05449	2.0
117.06994	4.9
119.08581	10.4
121.06496	3.0
121.10107	4.2
123.08031	1.1
128.06212	3.9
129.07002	7.6
131.04898	1.0
131.08563	8.3
131.64418	0.8
133.06514	3.4
133.10107	5.7
135.08040	2.3
135.11697	2.9
141.06981	4.9
142.07805	8.2
143.08560	13.5
144.09348	1.6
145.06490	5.5
145.10120	9.4
147.08043	6.0
147.11678	3.3
149.09578	1.2
152.06277	0.7
153.06967	2.4
154.07747	1.8
155.08548	8.0
156.09361	5.1
157.06447	3.8
157.10123	16.3
158.10863	2.2
159.08055	5.3
159.11685	7.3
161.09628	3.1
161.13235	2.2
165.07022	3.5
166.07837	1.8
167.08530	5.1
168.09236	1.3
169.10110	7.5
170.07266	1.8
170.10901	1.8
171.08064	7.9
171.11694	11.0
173.09622	6.4
173.13242	11.5
174.10355	1.9
174.13852	1.0
175.09766	1.9
175.11195	1.2
178.07843	1.1
179.08537	2.5
180.09300	2.0
181.10112	7.8
182.10910	3.4
183.08060	3.3
183.11668	6.7
184.08879	4.0
185.09608	27.0
185.13202	7.1
186.10326	3.5
187.11121	2.5
187.14789	1.6
193.10095	3.7
194.10936	1.7
195.08093	1.0
195.11696	7.2
196.12373	1.6
197.09612	4.8
197.13292	6.4
198.10384	3.3
198.13976	1.7
199.11176	13.0
199.14789	5.7
200.11882	3.0
202.40508	0.7
207.07841	0.8
207.11728	1.9
208.12439	1.6
209.05872	3.0
209.09540	0.8
209.13231	4.8
211.11198	5.3
211.14769	6.0
212.05911	0.8
212.11960	2.8
212.15468	1.2
213.09192	1.2
213.12738	10.9
213.16350	3.0
222.10434	1.5
222.14008	2.5
225.09204	0.8
225.12733	3.3
225.16408	0.9
226.13454	2.0
227.10670	0.9
227.14319	7.2
227.17860	6.8
237.12755	5.3
237.16367	8.7
239.14461	0.8
240.11317	2.3
240.15027	6.2
255.06558	2.0
255.13817	34.8
255.17418	100.0
255.20903	3.0
256.14157	1.3
256.17749	2.6
256.26343	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
50.30217	0.5
53.03927	0.8
55.01859	1.3
55.05502	3.8
57.03431	2.7
57.07066	1.3
62.98401	0.4
65.03905	0.7
67.05501	4.8
69.03414	1.1
69.07050	3.8
69.66712	0.9
69.67088	1.0
70.06597	0.7
71.04980	0.4
76.38821	0.4
79.05489	4.0
81.03413	12.1
81.07052	5.4
83.04987	0.8
83.08605	1.7
88.07629	1.2
91.05472	6.9
93.07039	4.9
95.04962	5.7
95.08598	8.4
97.06525	1.0
98.98472	3.1
102.09184	0.9
103.05453	0.6
105.07019	9.8
107.04966	1.2
107.08597	3.9
107.82813	0.4
109.06516	4.8
109.10143	3.5
115.05422	2.0
116.06278	0.4
117.07022	4.9
118.07823	0.4
119.08573	9.1
121.06503	5.6
121.10122	4.1
123.08070	1.5
123.11648	0.6
128.06209	3.8
129.06993	7.6
129.49268	0.4
130.07777	1.1
131.04903	2.7
131.08563	9.9
133.06494	2.5
133.10123	3.7
133.51492	0.4
135.08038	2.0
135.11681	1.4
135.16837	0.4
141.06972	4.0
142.07767	7.7
142.45374	0.5
143.08560	11.0
144.09294	1.2
145.06471	4.8
145.10114	9.8
147.08040	5.8
147.11650	3.4
149.09598	1.3
149.82950	0.4
152.06226	0.7
153.06966	1.6
154.07770	0.9
155.08539	8.1
156.09344	3.7
157.06505	2.9
157.10118	14.8
158.07253	1.3
158.10815	1.2
159.08052	5.8
159.11684	7.3
160.12552	0.6
161.09619	2.8
161.13206	1.5
165.06963	2.9
166.07759	1.8
167.08560	4.3
168.09285	1.5
169.06438	1.1
169.10136	8.8
170.07332	2.3
170.10825	1.4
171.08041	9.6
171.11687	8.6
172.08772	1.4
173.09604	7.7
173.13252	11.2
174.10367	3.6
174.13957	1.3
175.09744	0.6
175.11133	1.1
178.07735	0.8
179.08516	2.5
180.09288	1.7
181.10126	7.0
182.07222	0.7
182.10904	1.4
183.08083	3.0
183.11684	5.6
184.08820	3.7
184.12315	0.9
185.09608	30.4
185.13197	5.0
186.10326	3.1
187.11174	2.6
187.14748	1.2
192.09261	0.5
193.10132	3.7
194.10883	2.2
195.08006	1.0
195.11694	6.1
196.08847	0.5
196.12393	1.3
197.09598	4.8
197.13245	5.5
198.10345	2.8
198.14027	1.0
199.11163	11.7
199.14796	4.3
200.11905	2.2
203.10614	0.4
207.08109	0.7
207.11710	2.4
208.08795	0.8
208.12408	1.5
209.09593	0.8
209.13208	4.4
211.11192	5.5
211.14729	4.7
212.11942	2.9
212.15456	0.7
213.12738	9.1
213.16284	2.2
222.10316	1.2
222.14006	1.8
225.09116	1.1
225.12662	2.3
225.16258	0.7
226.09946	0.6
226.13466	2.2
227.14333	6.3
227.17897	6.8
237.12752	3.2
237.16335	7.9
239.14345	0.7
240.11423	1.1
240.14719	9.4
255.13797	24.3
255.17392	100.0
256.14163	1.0
256.17737	3.7
256.26370	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	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
55.12648	0.6
57.03415	0.7
57.07068	1.4
65.03918	0.8
67.05505	9.3
69.07062	6.4
69.51727	1.6
69.52123	1.0
70.06582	0.7
79.05492	4.9
81.07052	13.5
83.05009	0.8
83.08607	2.8
84.05618	0.6
86.90140	0.8
91.05477	8.4
93.07041	5.5
95.04958	1.3
95.08600	14.0
97.10165	1.5
98.98459	12.2
105.07026	13.2
107.08579	7.1
109.10146	21.7
115.05407	0.8
117.06972	3.3
119.08576	11.0
121.10130	4.8
123.11671	3.6
128.06195	0.7
129.06982	4.0
130.07756	0.7
131.08556	7.7
133.06506	0.6
133.10126	15.4
135.11720	3.5
141.07010	1.1
142.07753	3.3
143.08554	9.7
144.09343	1.3
145.10120	18.6
147.11681	22.6
149.13206	1.3
155.08583	2.4
156.09343	2.4
157.10118	16.1
158.10909	1.6
159.08069	0.6
159.11690	17.2
161.13275	5.3
163.28862	0.6
167.08591	0.8
169.10123	1.9
170.10887	0.8
170.26945	0.6
171.08009	0.9
171.11699	13.8
173.13261	10.1
174.14020	4.1
175.09769	3.1
175.14793	0.9
179.08632	0.8
183.11705	2.1
184.12428	1.2
185.09711	1.3
185.13243	20.0
186.13936	1.2
187.14839	2.9
197.13239	3.8
199.14813	24.0
200.15538	1.1
209.05876	3.0
209.13361	0.7
211.14822	1.0
212.15556	5.2
213.16370	8.3
225.16388	0.7
227.17900	5.9
237.16280	0.9
240.18625	0.7
255.06499	2.4
255.13797	2.6
255.17520	5.7
255.21060	100.0
256.21399	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	0.6
53.03936	1.9
55.05510	4.4
57.07064	1.9
65.03938	0.6
67.05503	8.1
68.36853	0.5
69.07053	4.6
69.88661	1.6
76.53333	0.6
76.74528	0.6
79.05492	17.5
81.07053	53.6
82.07329	0.6
83.08605	3.3
91.05475	6.5
93.07021	4.9
95.04962	1.2
95.08597	10.7
97.10160	1.4
98.23441	0.6
98.98457	6.9
105.06349	0.9
105.07025	11.9
107.08569	4.6
109.10134	9.7
115.05392	0.7
117.02769	0.5
117.07018	4.7
119.08572	20.6
121.10136	5.0
123.11736	3.0
128.02705	0.6
128.06244	1.7
129.07002	5.1
130.07823	1.1
130.32085	0.6
131.08571	11.3
133.10120	10.1
135.11694	2.0
141.07002	0.8
142.07753	3.9
143.08542	11.8
144.09311	2.0
145.10115	54.1
146.10854	2.5
147.10576	1.2
147.11681	17.0
149.13280	1.7
155.08519	1.0
156.09332	7.1
157.10118	20.1
158.10857	1.7
159.11685	50.6
161.13242	7.5
169.10133	1.8
170.10890	1.7
171.11676	33.8
172.12256	0.6
173.13242	21.2
174.14034	35.5
175.09802	1.5
175.14833	3.9
179.15303	0.5
183.11665	1.8
184.12460	0.8
185.13249	22.2
186.14035	0.7
187.14795	3.2
197.13248	1.6
198.13835	0.8
199.14813	18.0
199.16656	1.1
200.15536	1.7
202.33997	0.6
209.05872	1.4
210.49878	0.6
211.14806	1.4
212.15572	2.3
213.16367	6.7
225.16435	0.7
227.17926	26.4
228.18190	1.1
255.06612	1.6
255.21059	100.0
256.21442	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05506	7.2
55.83224	1.2
57.07052	1.6
62.94828	1.1
67.05483	5.3
69.07055	6.7
70.61568	2.0
73.83328	1.1
79.05489	27.7
81.07052	83.3
83.08602	3.9
91.05476	8.1
93.07039	7.3
95.04955	2.0
95.08601	13.7
97.10155	1.3
98.98470	13.8
105.07021	14.9
106.02990	1.3
107.08593	8.2
109.10152	8.0
115.05357	2.1
117.06999	5.6
119.08572	24.3
119.40056	1.0
121.10136	8.0
123.11693	2.9
128.06183	3.2
129.07011	5.9
130.07747	1.5
131.08549	16.3
133.10094	10.9
135.11649	3.3
135.83104	1.1
141.06932	2.9
142.07745	3.7
143.08545	17.1
144.09328	3.7
145.10115	62.9
146.10838	5.0
147.11690	18.7
148.77780	1.1
149.13235	1.3
155.08528	2.1
156.09329	8.8
157.10121	21.7
158.10814	2.8
159.11685	64.1
161.13252	8.4
167.08566	1.6
168.09364	1.1
169.10129	3.6
170.10895	2.9
171.11687	47.3
173.13254	26.7
174.14030	55.8
175.09772	4.0
175.14754	5.6
179.08487	1.2
182.10802	1.5
183.11653	3.3
184.12474	2.3
185.13232	26.9
187.14751	3.1
195.11649	2.0
197.13257	3.3
199.11034	1.5
199.14803	21.8
200.15578	2.0
209.05858	4.3
212.15541	1.3
213.12762	1.5
213.16383	8.5
227.15826	2.2
227.17923	31.3
255.06526	3.0
255.13748	4.3
255.17578	3.4
255.21056	100.0
256.21429	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	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05506	6.4
57.03433	1.7
57.07075	2.2
61.10618	0.8
67.05504	8.4
69.07059	6.0
71.04975	0.7
71.43201	0.8
73.42936	0.7
77.03890	0.8
79.05491	14.7
79.06317	0.7
81.07053	39.2
83.04987	1.0
83.08609	4.2
84.05624	1.4
91.05473	9.7
93.07043	7.8
95.04967	1.4
95.08598	11.6
97.06537	1.6
97.10146	1.3
98.98466	13.7
103.05443	1.0
105.07011	11.5
107.08586	8.9
109.10146	11.3
113.38651	0.7
115.05441	0.7
117.07011	5.3
118.65163	0.8
119.08574	16.6
121.10117	5.8
123.11687	2.2
125.05973	0.9
128.02617	1.0
128.06230	2.1
129.06979	5.3
130.07756	1.2
131.08574	12.7
133.10127	10.4
135.11679	4.9
137.89830	0.9
140.71454	0.7
141.06955	1.6
142.07744	4.4
143.08554	13.7
144.09319	2.5
145.10115	33.4
146.10855	1.7
147.11670	16.7
147.70622	0.7
148.91005	0.7
149.13181	1.3
155.08546	2.1
156.09326	4.7
157.10120	19.5
158.10864	1.5
159.11679	33.2
160.12277	0.8
161.13240	5.6
167.07008	0.8
169.10094	3.1
170.10887	2.6
171.11688	24.8
173.11987	0.5
173.13249	18.0
174.14041	24.2
175.09778	5.6
175.14746	2.4
183.11626	5.2
184.12439	1.0
185.13249	22.6
186.13959	1.3
187.14807	2.9
197.13237	4.1
198.14050	1.7
199.14803	30.6
200.15466	1.9
209.05898	4.9
211.14798	2.1
212.15593	2.5
213.16347	8.0
226.17126	0.8
227.17931	13.4
227.80167	0.7
255.06514	2.9
255.21059	100.0
256.21411	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	256.2999
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
56.96568	1.0
57.07072	6.4
57.30933	0.4
58.06600	1.7
58.37806	0.4
59.07137	0.4
59.07400	0.5
60.08159	23.7
67.05474	0.5
70.81859	0.5
70.82176	0.6
71.01168	0.4
71.08624	2.7
84.05635	0.8
85.10167	0.9
88.07617	0.7
91.05487	0.4
98.97573	5.1
109.88356	0.5
116.98612	3.7
134.99660	2.5
146.16241	0.4
175.09760	2.3
182.78232	0.4
209.05861	3.2
228.88840	0.5
232.96411	0.6
256.29965	100.0
256.96497	0.6
257.11584	0.5
257.30313	2.4
274.97375	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	257.1134
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
53.03947	2.8
55.01868	0.7
55.86868	0.5
56.05025	1.6
57.03426	0.6
68.08167	0.5
69.03419	4.1
70.02953	0.8
70.06578	1.9
71.01362	1.3
71.06117	0.5
72.08131	1.7
80.05011	8.1
81.05779	2.4
82.06581	16.1
84.04494	1.6
84.08137	1.0
85.02905	2.5
94.03227	0.5
96.04506	2.4
97.02895	3.9
97.03990	0.5
98.06054	2.0
98.22768	0.6
98.97581	1.7
108.04475	71.2
109.05307	4.4
110.06055	0.7
111.05555	1.5
115.03926	1.0
116.98640	1.5
119.01926	0.7
121.02844	1.0
123.05560	1.5
124.03975	0.6
125.07110	34.6
126.07923	4.6
129.10260	0.4
133.04929	0.7
137.02301	0.8
140.01463	0.5
149.02333	13.1
171.10933	0.9
174.06096	0.6
177.01009	1.1
177.63747	0.6
189.12123	0.5
192.06557	1.4
197.07649	2.3
203.02470	0.6
215.08780	1.9
239.09854	1.4
240.08658	42.9
240.16988	1.1
241.08969	1.5
257.11313	100.0
258.11575	2.2
274.97446	1.4
275.04858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55494	1.6
53.03938	2.8
56.96567	17.6
57.17952	1.7
63.62695	1.8
65.03923	2.3
67.05497	5.9
68.85223	1.9
70.13446	5.3
74.35152	1.6
76.43707	1.7
79.05486	5.9
81.07026	3.6
91.05482	32.4
93.07058	3.2
95.04964	32.9
95.08598	4.1
98.97575	65.5
103.05489	3.3
105.07039	7.1
107.04956	2.8
109.02873	41.7
109.06525	4.1
109.10135	2.5
116.98618	55.8
117.07017	14.3
119.08572	73.6
121.06497	4.3
125.05959	2.8
128.06181	2.5
129.06975	8.8
131.08594	2.9
132.05696	8.7
134.99648	34.6
135.04454	2.0
135.08034	4.2
141.22736	1.7
143.08546	4.1
145.06483	4.9
147.08041	100.0
149.05965	2.4
152.67419	1.7
153.00690	4.1
158.01282	2.5
158.07324	2.9
159.08055	3.3
159.11699	2.4
166.21104	2.0
171.07999	4.5
172.08836	8.4
172.94351	3.0
173.09602	3.3
175.07520	16.2
183.08054	3.9
186.10365	5.6
187.11066	2.1
190.95374	4.2
196.08804	4.2
197.09618	6.0
199.07501	5.2
201.12740	4.7
201.28769	1.9
211.11191	3.2
213.09183	2.9
214.09903	4.6
215.10664	8.5
225.09003	2.3
226.09894	8.9
227.06993	10.6
229.12221	26.0
232.96452	4.5
239.10583	2.8
242.09392	16.8
250.97571	2.3
256.96439	5.8
257.04449	3.0
257.08954	2.7
257.11710	46.2
257.22604	6.0
274.97464	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1171
Annotation	Obtusaquinol
Peak:m/z	Relative Intensity
55.01867	2.4
55.02113	0.5
55.05509	1.0
56.96560	4.1
57.31456	0.7
57.35765	0.6
65.03935	1.5
67.05516	4.1
67.37334	0.6
69.03430	1.2
77.03949	0.6
79.05483	5.0
79.92475	0.6
81.07066	1.1
83.05004	0.9
88.00155	0.6
91.05472	24.3
93.07037	3.4
95.04958	30.0
95.08587	1.1
98.97572	18.8
103.05457	2.7
104.06262	1.2
104.80434	0.6
105.07022	7.2
107.04921	3.1
109.02863	7.4
109.06499	2.7
114.83356	0.6
115.05442	1.9
116.98611	14.3
117.07008	12.6
119.08567	70.4
120.08884	1.7
121.06500	2.6
123.08002	0.8
125.05936	2.9
128.06226	1.6
129.06989	6.9
132.05682	7.3
134.99644	8.2
135.04414	1.4
135.08014	3.2
137.05991	0.9
141.06898	1.0
142.07787	0.7
143.08514	2.1
145.06459	4.3
145.10088	0.7
147.08032	100.0
148.08356	1.6
149.06015	1.5
153.06975	1.1
154.07722	1.8
155.08513	1.7
156.09299	0.8
157.06409	1.2
157.10146	1.1
158.01266	0.7
158.07251	2.3
159.08018	2.9
159.11700	0.7
160.05188	1.3
165.06921	1.2
167.08571	0.6
169.10086	1.9
171.08003	4.7
172.08812	6.2
172.94312	0.7
173.09598	1.0
175.07521	10.1
176.10138	1.2
181.06456	1.6
182.07204	1.9
183.08034	4.4
183.11575	0.9
185.09570	1.9
186.10382	4.8
187.07520	1.0
187.11145	1.8
189.09100	1.0
190.95421	1.2
195.08011	1.4
196.08835	2.9
197.09610	4.3
198.06688	0.8
198.10353	0.9
199.07495	4.9
199.11226	0.9
201.09216	0.7
201.12752	3.4
210.06398	0.8
211.07515	2.1
211.11157	1.3
213.09111	1.6
214.09851	3.3
215.10658	5.4
225.09126	1.8
226.09866	7.3
227.07056	6.6
229.12221	22.9
232.96414	1.2
239.10719	1.3
242.09346	8.2
256.26312	1.0
256.96381	1.9
257.11688	33.5
258.11954	1.1
274.97461	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	257.1173
Annotation	Obtusaquinol
Peak:m/z	Relative Intensity
51.53224	0.8
55.01872	1.5
56.33781	0.7
56.96545	0.8
65.03943	1.5
66.04721	0.6
67.05507	4.1
69.31824	4.4
71.00550	0.7
71.08593	0.6
74.33617	0.6
77.03946	1.0
79.05489	5.2
81.07045	1.1
91.05482	27.2
93.07043	2.0
95.04969	32.6
95.08557	0.7
95.28810	0.8
98.97578	5.9
103.05456	1.4
104.06241	1.4
105.07026	7.8
107.04948	4.1
109.02901	2.7
109.06531	3.4
115.05481	0.9
116.98602	2.3
117.07014	13.4
119.08578	75.2
120.08913	0.9
121.06519	3.5
123.08041	1.5
125.05991	4.0
128.06209	1.9
129.06998	6.5
131.08534	0.9
132.05702	6.5
134.99640	0.9
135.04427	1.1
135.08051	3.1
141.07018	1.5
142.07759	1.1
143.08519	1.8
145.06435	4.5
145.10069	0.9
147.08043	100.0
148.08365	2.8
149.06042	1.0
153.06975	0.9
154.07806	1.7
155.06021	1.0
155.08528	0.9
157.06438	1.3
158.07307	1.7
159.08070	2.1
160.05197	1.4
169.10112	1.4
171.08020	4.0
172.08820	4.7
173.09570	2.0
174.06741	1.2
175.07553	11.4
179.08487	0.7
181.06503	1.9
182.07211	2.5
183.08060	2.8
185.09538	1.4
186.10435	4.9
187.11217	1.6
189.09102	2.6
195.08066	1.1
196.08949	1.0
197.09631	5.3
198.06650	1.1
198.10403	1.7
199.07571	6.1
199.11093	0.8
201.12837	3.5
211.07538	2.2
211.11023	0.8
212.78464	0.9
213.09105	2.4
214.09879	3.0
215.10625	4.8
225.09094	1.2
226.09871	6.8
227.06982	7.9
229.12219	24.5
239.10783	1.1
242.09387	9.2
256.26425	1.4
257.11710	29.5
257.14847	1.5
257.15445	1.4
258.27979	4.7
274.97516	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	2.9
55.05494	2.5
56.96550	2.1
57.07065	3.4
58.06580	0.8
58.07394	0.8
59.04995	0.9
61.52814	0.7
65.15606	0.6
67.05499	5.2
69.03407	1.9
69.07050	3.2
70.06095	1.2
70.06578	4.8
71.06925	0.8
71.08603	1.2
79.05482	3.7
81.03412	20.8
81.07058	3.7
81.29187	0.6
83.04976	1.4
83.08602	0.6
84.33042	0.7
85.06509	0.7
85.10193	0.6
88.07620	6.6
89.07943	1.5
91.05473	6.4
93.07030	5.5
95.04967	11.2
95.08603	4.4
97.06548	1.1
98.23322	0.7
98.97578	10.2
99.24584	0.6
102.09152	3.9
103.05474	0.7
103.09502	1.0
105.07026	10.4
107.04936	3.0
107.08585	5.6
109.06502	3.9
109.10139	2.3
111.08059	0.9
115.05467	1.3
116.98621	7.5
117.07007	5.0
119.04925	1.3
119.08567	7.5
121.06492	4.8
121.10136	2.4
123.08070	3.2
128.06209	2.2
129.06987	3.7
130.07780	1.2
131.04918	2.8
131.08568	7.5
133.06458	4.6
133.10095	6.3
134.99663	4.7
135.04433	0.8
135.08080	4.2
135.11697	1.6
137.09612	2.0
141.06934	3.6
142.07726	2.8
143.08557	6.0
145.06493	10.4
145.10109	10.9
146.07245	0.7
147.08026	8.0
147.11652	3.6
149.05945	1.0
149.09596	2.0
153.00552	0.9
153.07011	2.5
154.07755	3.9
155.08563	9.1
156.09302	2.4
157.06464	1.7
157.10101	8.3
158.07254	1.9
158.10909	1.1
159.08032	7.0
159.11714	7.0
160.08829	1.2
161.06012	0.8
161.09601	9.0
161.13255	1.7
163.11166	2.6
165.07019	1.4
166.07817	0.7
167.08578	2.7
168.05701	1.2
168.09341	1.8
169.06487	2.0
169.10123	12.0
170.10890	2.2
171.08067	4.3
171.11664	7.4
172.08884	1.1
173.05972	3.7
173.09605	14.4
173.13281	3.4
175.07552	1.4
175.09747	0.7
175.11154	8.9
176.10352	0.9
176.11934	5.9
179.08513	2.2
181.06464	1.2
181.10086	2.8
182.07256	3.4
182.10841	2.3
183.08032	5.4
183.11653	4.7
184.08807	1.4
185.09584	3.8
185.13304	2.9
186.10338	2.0
186.33348	0.6
187.07545	2.0
187.11179	6.3
187.14778	1.9
189.12733	2.4
191.08635	0.8
193.10081	0.9
195.08011	1.4
195.11717	2.2
196.08876	1.2
196.12454	2.3
197.09608	24.2
197.13239	7.4
198.10358	3.3
199.07483	1.4
199.11176	6.8
201.09113	5.4
201.12689	2.9
201.16380	2.0
202.09886	0.9
206.10909	0.7
209.09607	1.6
209.13205	0.6
210.06197	0.9
210.10274	0.7
211.05635	0.6
211.07552	1.2
211.11223	3.6
211.14793	4.0
213.09222	1.0
213.12689	4.9
214.09808	1.6
214.13545	2.6
215.10719	6.8
215.14268	8.1
221.13223	1.5
224.11955	1.9
225.09053	1.9
227.10619	1.1
228.07877	1.3
229.08687	4.3
229.12230	10.3
229.15820	7.0
239.10640	1.8
239.14297	11.1
241.12201	1.2
242.13022	6.4
256.26370	4.5
257.08377	3.1
257.11768	8.8
257.15344	100.0
257.18878	6.6
257.26666	31.6
258.15616	3.4
274.97476	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05505	9.4
57.03421	1.6
57.07057	2.6
58.06591	0.9
60.08152	4.8
65.03931	0.8
67.05167	1.5
67.05505	24.4
69.06586	3.2
69.07045	7.9
69.07342	0.7
69.10333	0.6
70.98253	0.7
71.04990	1.7
71.08636	0.9
74.75122	0.7
77.03956	0.7
79.05485	13.0
81.07056	17.6
83.08607	2.8
85.06547	1.5
91.04939	1.4
91.05474	18.9
91.37210	0.7
93.07042	12.1
95.04976	1.5
95.08603	17.6
97.06572	1.3
97.10175	1.6
98.23514	1.3
98.97592	3.7
103.05430	1.1
105.07026	23.4
107.04951	0.8
107.08578	7.2
109.06537	0.9
109.10161	7.2
115.05457	1.9
116.06216	1.6
116.98611	2.0
117.07017	24.1
119.08569	18.6
121.06490	0.7
121.10146	6.0
123.07987	1.0
123.11664	0.8
127.70987	0.7
128.06213	4.4
129.06100	0.8
129.07010	9.4
130.07791	4.4
131.08560	43.7
133.06462	2.7
133.10126	16.0
134.99669	1.1
135.08041	1.1
135.11676	3.2
137.09595	1.1
141.06984	4.1
142.07770	1.4
143.08563	19.9
144.09294	2.9
145.06497	5.5
145.10117	75.1
146.10440	1.4
147.08006	1.2
147.11673	13.2
149.09587	1.1
149.13229	1.8
154.07825	0.8
155.08519	7.6
156.09328	1.7
157.10123	10.7
158.07251	1.2
158.10928	4.6
159.08049	2.5
159.11684	23.2
160.12114	0.9
161.09633	2.0
161.13197	5.2
163.14828	0.7
167.08443	1.3
168.09308	1.8
169.10135	10.8
171.11676	14.3
173.09592	2.0
173.13252	72.6
174.13622	1.0
175.11195	3.1
175.14867	1.8
181.10123	1.3
182.10997	1.3
183.11702	17.2
185.13213	4.4
187.11160	13.8
187.14783	8.4
189.12737	1.0
195.11606	0.8
197.13239	11.7
197.14893	1.1
198.13934	0.8
199.14816	8.6
201.12672	1.9
201.16402	2.9
210.13998	1.2
211.14795	3.6
213.16338	2.0
215.14304	3.1
215.17970	2.1
229.19501	38.6
230.19916	0.9
239.17924	24.0
244.56529	0.8
256.29993	11.3
257.04199	0.9
257.18994	100.0
257.22495	8.5
257.30270	10.7
258.19394	3.3
258.27957	1.2
274.97699	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
57.07059	1.4
67.05158	0.7
67.05499	9.0
69.07064	7.5
78.55984	0.6
79.05498	3.6
81.07049	14.2
83.08610	3.2
86.65131	0.4
90.86856	0.4
91.05479	3.6
93.07038	8.6
94.07352	0.4
95.04956	0.9
95.08597	24.5
97.10133	2.0
97.84796	0.5
98.23470	0.8
98.97567	2.5
105.07015	11.1
107.08583	12.1
109.06537	0.6
109.10146	18.8
111.11706	0.8
116.98627	2.0
117.06999	2.2
119.08570	14.9
119.09424	0.8
121.10123	8.1
123.11697	6.1
127.85481	0.5
129.07002	0.6
131.08559	6.0
133.10121	10.8
134.99658	0.5
135.11681	7.1
139.67401	0.4
143.08548	1.4
145.10120	10.6
147.11679	14.6
149.12096	0.9
149.13242	12.0
157.10077	1.1
158.10854	0.6
159.11690	12.3
161.13251	13.6
163.14789	4.3
171.11630	0.7
172.12527	0.7
173.13245	15.8
174.13866	0.6
174.88734	0.4
175.14801	9.8
177.16420	0.8
185.13190	0.7
187.14806	14.3
189.16318	1.1
199.14867	1.0
201.16373	13.9
211.05634	0.5
213.16298	0.6
214.17076	0.6
215.17932	5.3
229.19504	1.2
229.60919	0.5
257.22620	100.0
258.22931	3.4
274.97464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13116	0.3
53.03926	0.4
55.05506	4.3
56.96555	0.6
57.03416	0.5
57.07077	1.5
59.25474	0.3
59.97054	0.3
67.05500	9.6
69.07066	7.4
79.05489	5.0
81.06561	0.6
81.07051	16.9
83.08607	3.0
91.05472	4.3
93.07038	10.2
95.08597	23.1
97.10160	2.3
98.97572	4.4
104.52438	0.3
105.07024	12.7
105.79944	0.4
105.84793	0.3
107.08586	11.9
109.06519	0.4
109.10147	16.9
110.10461	0.5
111.11704	1.0
113.93694	0.3
116.98610	2.2
117.07010	2.3
119.08569	17.1
121.10138	7.5
123.11700	6.3
129.06970	0.6
130.07776	0.4
131.08549	6.0
133.10120	12.9
134.10477	0.3
134.99617	1.1
135.11679	7.4
137.13245	0.7
143.08549	1.2
144.09308	0.6
145.10110	10.0
146.10692	0.4
147.11668	14.6
149.13243	11.9
153.00803	0.3
156.09390	0.5
157.10208	1.6
158.10915	1.1
159.11685	12.1
160.12302	0.3
161.13243	13.5
162.13612	0.4
163.14792	4.5
169.10120	0.6
171.11647	0.8
172.12383	0.7
173.09666	0.4
173.13239	13.9
174.13780	0.5
175.09804	0.8
175.13385	0.6
175.14821	10.4
177.16382	0.6
185.13255	1.0
186.14146	0.5
187.14795	10.4
188.15395	0.5
189.16336	1.3
199.14844	1.5
200.15379	0.4
201.16367	12.7
210.06227	0.5
211.05528	0.6
213.16357	0.7
214.17108	0.7
215.17957	3.3
227.17961	0.5
228.18764	0.7
229.08638	0.5
229.19504	1.8
239.17975	0.4
248.28026	0.3
256.96359	0.3
257.15396	1.5
257.22614	100.0
258.22925	3.8
264.86401	0.4
274.97516	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
55.83560	0.5
56.96573	0.6
57.07078	1.1
64.83879	0.5
67.05500	10.9
69.07066	8.9
69.37836	1.2
69.38246	1.7
79.05488	4.2
80.95581	0.6
81.07051	20.1
83.08615	2.3
85.06544	0.6
91.05468	5.6
93.07040	10.6
95.04996	0.6
95.08598	24.5
97.10156	2.6
98.23434	1.0
98.97574	3.5
105.07022	12.6
107.08584	11.9
107.09166	0.3
109.10150	19.6
111.11694	1.0
116.98615	2.0
117.06962	3.0
119.08572	19.3
121.10133	9.8
123.11714	6.8
129.07002	0.5
131.08559	6.7
133.10124	12.7
134.99648	1.2
135.11685	9.5
137.13251	1.1
143.08559	1.6
144.09338	1.0
145.10114	12.6
147.11678	17.6
149.13243	14.8
154.07814	0.5
157.10129	1.5
158.10899	1.2
159.11684	12.7
161.13249	15.7
162.13599	0.6
163.14821	4.6
171.11665	0.9
172.12419	1.0
173.13248	15.4
174.13751	0.6
175.09714	0.8
175.14819	10.0
185.13271	0.8
187.14792	12.5
189.16351	1.7
199.14771	1.1
201.16377	15.2
211.05602	1.2
213.16327	0.9
214.17143	1.1
215.17944	4.8
229.08606	0.6
229.19450	2.4
257.15329	1.7
257.22626	100.0
258.22998	3.1
274.97467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	0.7
55.05511	6.9
56.96564	1.3
57.03431	0.7
57.07062	2.0
67.05501	10.3
69.07063	8.6
69.62934	1.2
69.63329	1.2
71.11722	0.5
76.00317	0.6
79.05491	4.9
81.03419	3.5
81.07055	17.5
81.48224	0.5
83.04989	0.9
83.08622	4.0
91.05460	6.2
93.06448	1.0
93.07037	11.9
95.04950	2.2
95.08604	25.3
97.10162	2.3
98.97586	5.1
100.03776	0.5
105.07025	15.5
107.08588	13.9
109.06509	0.6
109.10153	19.3
109.83257	0.6
110.91969	0.5
111.11671	0.6
116.98633	4.6
117.07032	3.0
119.08578	17.3
121.06501	1.0
121.10133	9.4
123.11710	6.6
128.06216	1.1
129.06992	1.7
131.08572	8.2
133.10132	14.2
134.99644	2.2
135.10757	0.8
135.11691	8.9
137.13289	0.9
141.07031	0.9
142.07779	1.2
143.08595	2.7
144.09352	0.8
145.06471	1.6
145.10123	14.1
147.08109	1.2
147.11681	15.8
149.13252	11.5
155.08565	3.3
156.09239	0.6
157.10165	3.4
159.08034	1.5
159.11681	14.4
161.09608	1.9
161.13245	16.5
163.11215	0.6
163.14804	4.9
167.08501	0.6
169.10100	2.1
171.11685	1.9
173.09618	2.1
173.13246	15.4
175.09779	0.8
175.11142	1.1
175.14824	10.5
176.11842	0.7
177.16489	0.6
181.10112	1.0
182.10831	0.8
183.08096	0.8
183.11655	1.5
185.13295	1.2
187.11110	0.8
187.14813	13.0
189.16335	1.5
195.11787	0.6
197.09570	1.7
197.13301	1.6
199.07780	0.6
199.11185	1.6
199.14760	1.1
200.15698	0.7
201.09064	1.3
201.16388	15.3
202.17084	0.7
211.05589	0.8
211.11194	0.8
211.14877	0.6
213.12764	1.0
213.16388	1.1
215.10588	1.7
215.14262	1.0
215.17903	4.2
228.18732	0.6
229.08583	2.2
229.12161	0.6
229.15866	1.7
229.19411	1.8
234.93146	0.6
239.14307	1.5
240.19556	0.8
242.12947	1.1
257.15381	17.4
257.22632	100.0
258.15707	0.9
258.23044	4.0
274.97488	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	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	0.5
55.05507	5.7
55.10170	0.4
56.96569	0.8
57.07062	2.0
67.05496	10.5
69.07059	8.1
79.05491	5.8
81.03407	0.5
81.07050	17.4
83.08610	3.3
84.08815	0.4
85.06522	0.6
85.10168	0.5
91.05466	5.3
91.06001	0.7
93.07037	10.0
95.04982	0.7
95.08598	23.8
97.10152	2.6
98.97585	3.6
105.07021	13.2
105.07736	0.7
107.08584	12.3
109.10148	18.2
111.11697	1.0
116.98624	2.4
117.06982	4.1
119.08568	15.8
119.09427	0.9
121.10133	8.3
123.11691	6.5
128.06163	0.4
129.07007	2.0
130.07816	0.7
131.08559	11.0
133.10120	12.7
134.99602	0.9
135.11684	8.3
137.13258	0.9
142.07762	0.6
143.08533	2.5
144.09344	1.0
145.10115	17.6
147.07976	0.7
147.11662	13.9
149.13237	10.4
155.08559	1.0
157.10118	2.4
158.10930	1.1
159.11685	15.5
160.12332	0.4
161.13243	15.1
163.14812	3.9
169.10056	1.1
171.11610	2.1
172.12344	0.7
173.09555	0.9
173.13249	16.8
173.14763	0.8
174.13719	0.9
175.09727	0.6
175.11182	0.7
175.14803	9.7
177.16393	0.9
183.11713	1.6
185.13239	1.7
187.11198	0.6
187.14803	13.9
188.15376	0.6
189.16376	0.8
197.08006	0.6
197.13171	1.1
199.14809	1.4
200.15414	0.6
201.09074	0.5
201.16364	13.5
202.16685	0.5
210.06198	0.6
211.14713	0.7
213.16295	1.1
214.17143	1.2
215.17958	4.1
229.08470	0.9
229.19464	1.5
239.17958	1.6
256.96335	0.4
257.15485	2.7
257.19165	4.3
257.22614	100.0
258.22922	3.8
266.33899	0.4
274.97452	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	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63297	0.3
55.05510	5.4
56.96549	0.7
57.07071	1.9
63.66780	0.3
65.03948	0.4
67.05163	0.6
67.05505	10.6
69.07066	7.8
69.48358	0.7
69.48770	1.2
77.03906	0.4
79.05489	4.7
79.71217	0.3
81.03435	0.5
81.07054	17.8
83.08620	3.2
91.05471	5.1
93.07043	11.5
95.04981	0.4
95.08603	28.1
96.08947	0.4
96.11420	0.3
97.10157	2.1
98.97579	3.4
103.05384	0.4
104.15109	0.4
105.07025	13.8
107.08592	14.4
109.06515	0.6
109.10151	20.5
111.11720	0.7
116.98617	3.1
117.06991	2.7
119.08578	15.6
119.09431	0.8
121.09270	0.5
121.10134	9.6
121.86327	0.3
123.08043	0.4
123.11700	5.2
129.06984	0.8
130.07796	0.6
131.08560	9.2
131.09465	0.7
133.10123	13.4
134.99651	1.0
135.11697	8.6
136.92577	0.4
137.13277	0.8
142.07678	0.4
143.08582	2.0
144.09352	0.9
145.10124	15.2
146.10603	0.5
147.11681	14.6
149.13251	12.1
152.49777	0.3
157.10117	1.2
158.10887	1.0
159.11685	13.8
160.12148	0.6
161.13251	13.9
163.14819	6.1
169.10118	0.8
171.11679	0.9
172.12448	0.8
173.13254	14.9
173.14775	0.7
175.14825	10.5
177.16406	1.5
183.11638	0.4
185.13266	0.8
186.14020	0.6
187.14815	12.7
188.15268	0.3
189.16389	1.4
197.09550	0.5
197.13293	0.4
199.14812	1.6
200.15495	0.5
201.16365	16.5
211.05548	0.4
213.16431	0.6
214.17241	1.0
215.14287	0.4
215.17953	4.8
220.71703	0.4
229.19511	2.6
232.96361	0.4
239.17935	0.8
240.09558	0.7
257.22629	100.0
258.23029	4.2
258.27817	1.9
274.97546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35420	0.5
55.05510	4.5
57.07064	1.6
66.00940	0.6
67.05503	7.9
69.07060	7.3
70.67597	0.8
71.65945	0.5
79.05486	4.8
80.63297	0.5
81.07050	14.8
83.08613	3.9
83.51363	0.6
91.05470	4.9
93.06447	0.8
93.07038	12.4
95.04972	0.7
95.08602	20.2
97.10145	1.4
98.97601	0.9
105.06342	1.0
105.07023	13.2
107.08588	14.1
109.06508	0.5
109.09418	1.1
109.10150	19.2
116.98571	0.7
117.07005	2.8
119.08572	20.6
121.10139	9.4
123.11697	9.1
130.07773	0.7
131.08568	8.1
133.10117	12.7
135.11678	10.0
137.13228	0.9
143.08528	1.3
144.09381	0.7
145.10120	13.5
146.10907	0.8
147.11673	21.3
147.19856	0.6
149.13257	12.5
157.10121	1.2
158.10902	0.8
159.11687	13.1
161.13251	15.6
163.14819	3.7
171.11664	1.2
172.12477	0.6
173.13235	10.7
175.14812	27.5
176.15059	1.1
177.16310	0.9
185.13222	1.4
187.14804	12.3
189.16402	1.4
199.14825	0.9
201.16374	22.5
202.16731	1.0
213.16388	3.8
214.17056	0.6
215.17902	4.2
227.18102	0.6
228.18661	3.2
229.19438	2.4
253.67877	0.6
257.22626	100.0
258.22964	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	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98635	0.7
56.96566	15.5
66.95174	0.3
70.10025	1.0
71.95247	0.9
98.97580	100.0
116.98619	76.0
117.98991	0.4
119.01923	1.3
120.10022	0.3
134.02104	0.3
134.99654	40.5
137.03009	0.4
140.00197	0.8
153.00720	5.3
158.01219	0.9
160.07649	0.3
177.00955	1.0
178.01031	0.7
179.00722	0.8
192.94817	0.5
192.98836	0.4
201.00807	0.5
205.02219	1.0
210.95970	0.7
216.98651	0.7
219.02025	2.9
220.02136	1.5
221.01846	0.7
229.78842	0.4
234.99779	0.7
236.98547	1.5
240.98598	3.8
252.96988	0.5
258.99756	58.7
259.99976	2.7
261.03159	0.6
277.00793	64.7
278.00983	2.4
279.01077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56644	0.4
56.96286	0.7
56.96562	9.7
57.08972	0.3
58.99880	0.5
61.41651	0.4
63.72228	0.4
70.06586	0.5
70.58589	0.9
70.99844	0.8
71.95253	0.7
72.08152	0.7
83.88110	0.4
84.08140	5.0
86.09696	1.7
95.06109	0.5
98.97578	100.0
101.00881	3.9
113.00873	0.6
115.02400	0.6
116.10737	1.1
116.98616	50.7
118.98212	0.4
119.01914	9.6
129.10246	0.5
131.01898	1.4
133.03459	4.6
134.99652	13.7
137.02948	1.8
143.01894	0.7
145.03479	1.1
149.02913	0.8
151.04512	1.5
153.00690	0.9
156.99796	1.0
158.99690	0.6
161.02954	1.8
163.04556	0.8
171.01408	1.0
173.02914	1.1
175.00880	7.7
176.04185	0.7
177.00856	0.5
179.00609	0.5
179.04076	0.5
189.02446	3.0
193.01939	1.8
194.05168	1.0
199.00685	0.8
199.02306	0.5
216.98683	0.6
217.01932	9.1
218.05350	0.6
219.01971	0.4
234.99631	0.8
235.00600	0.5
235.02974	6.0
235.11214	0.5
236.06293	0.6
240.98602	3.7
258.99753	40.0
259.03821	3.4
259.99936	1.3
260.19785	0.6
277.00803	47.4
278.01068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01860	1.4
55.05501	0.3
57.03437	4.8
59.04985	0.3
60.74261	0.3
61.02919	2.0
65.03929	0.3
67.05492	0.7
69.03426	75.1
69.11681	0.3
70.03752	0.5
71.01341	1.4
71.04989	2.3
72.70074	0.3
73.02914	4.6
79.05499	0.9
81.03413	10.1
83.01327	0.5
83.04990	0.6
85.02900	12.6
87.04446	0.8
91.05485	0.6
93.07059	0.4
95.04942	1.5
97.02888	100.0
98.03237	0.8
98.97592	0.6
99.04455	4.4
100.88287	0.3
101.02381	1.2
103.03886	0.4
105.07033	0.3
107.04926	0.9
109.02871	5.2
111.04430	1.3
113.02397	0.4
115.03934	4.4
118.97028	0.3
119.04923	0.6
121.02873	0.5
121.06504	0.6
123.04395	1.4
125.02344	1.2
125.05973	0.3
127.03909	12.9
129.31253	0.3
133.04874	0.4
135.04395	1.0
137.02385	0.5
137.05945	0.5
139.03897	0.9
142.07724	0.4
145.04950	2.8
145.06021	0.4
149.05943	1.0
151.03902	0.7
155.50752	0.3
157.05022	0.4
157.10095	0.3
161.05959	0.8
163.03900	1.2
169.04953	0.8
173.04405	0.4
175.07437	0.3
175.11099	0.3
176.13966	0.3
177.05417	0.7
181.05009	0.6
185.09593	0.6
189.09132	0.4
193.04967	1.8
195.06529	0.3
198.06699	0.8
199.05884	0.5
199.07518	0.5
203.07024	0.5
205.04965	0.4
211.05965	0.8
213.09084	1.8
223.05910	1.0
231.10150	1.6
241.06703	1.4
241.09059	0.4
258.99817	0.3
259.09985	2.4
277.00876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.2
55.05503	11.4
56.05030	13.8
58.06586	1.5
58.99583	12.2
60.76270	1.3
61.01150	4.3
67.05503	5.3
68.05023	4.8
68.21184	1.4
69.07070	9.6
69.84484	5.9
70.02963	1.8
74.00654	3.3
76.02219	2.9
76.03990	3.1
79.05489	60.1
80.05009	6.7
81.05804	1.6
81.07054	32.0
82.06570	12.5
82.55757	1.8
83.08617	2.5
84.04501	14.3
85.01125	100.0
85.04023	9.0
86.00652	32.8
86.99072	4.3
88.02215	5.7
89.03933	4.0
91.05473	4.3
92.01711	2.8
93.07037	6.2
94.06556	9.6
95.04973	5.7
95.07353	3.3
95.08613	4.7
96.08124	13.6
97.01110	5.3
97.06528	54.4
97.08928	10.9
98.09691	32.4
98.22755	2.0
105.04485	2.1
105.07039	6.2
106.07838	1.6
108.08123	6.2
109.08907	3.3
110.09671	14.0
111.02625	2.8
112.03966	12.3
113.04225	93.1
114.05486	1.8
116.01677	23.3
117.03394	4.5
122.09657	14.0
123.10465	4.3
130.04997	40.4
131.04498	4.1
133.02864	2.8
135.04408	4.9
139.05754	8.0
143.02783	2.5
144.01131	4.0
145.02826	3.6
154.06882	1.6
156.08424	78.2
156.10199	39.4
161.02328	10.8
162.02231	6.6
163.03888	24.5
166.79297	1.5
173.02338	24.7
177.03311	8.8
189.03311	7.7
215.07018	27.3
242.08414	15.6
244.91367	1.5
259.11319	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
57.07071	1.2
58.06598	3.0
58.07400	0.3
59.06913	0.3
60.08159	0.9
61.08506	0.5
62.06084	0.9
65.03925	0.8
67.05492	1.7
69.89304	0.5
69.89690	0.5
71.08630	0.5
77.03915	0.4
79.05489	4.9
81.07050	4.1
83.09502	0.3
85.10210	0.3
91.05473	9.3
93.07039	1.3
95.04963	10.3
98.97573	0.4
103.05453	0.4
105.03451	0.3
105.07036	1.5
106.03502	0.3
106.04183	1.0
109.06510	48.5
110.06838	0.7
115.05469	0.6
116.98650	0.4
117.07010	6.1
119.04943	0.5
119.06101	0.6
119.08572	13.5
120.08918	0.3
121.06490	1.2
123.08070	0.6
131.08533	0.6
134.07259	2.0
135.08040	1.1
137.05965	20.2
138.06303	0.4
141.06999	0.5
142.07744	0.3
143.08652	0.3
145.06432	0.4
147.08099	0.3
149.05072	1.0
149.05975	44.9
149.09604	100.0
150.06300	0.6
150.09935	2.2
152.04713	0.3
155.08549	1.3
158.07176	0.3
159.08040	2.3
161.09589	0.5
165.07005	0.5
168.05669	1.0
170.10847	0.3
172.08864	0.5
173.09639	0.8
177.09097	8.5
179.08681	0.3
180.09322	0.5
182.07289	0.4
183.08046	11.9
184.08382	0.4
189.12660	0.3
197.09599	3.0
198.10397	1.7
203.14330	0.6
211.07526	1.4
213.12741	2.2
217.12190	0.5
223.11147	0.6
225.09129	1.0
226.09865	44.4
227.10257	1.5
231.13747	0.8
241.12207	4.1
241.27153	0.4
258.27887	3.6
258.30649	5.1
259.05847	0.3
259.13275	8.9
259.20596	0.7
259.28238	4.8
259.30957	0.6
260.13535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1694
Annotation	Gymnasterkoreayne B
Peak:m/z	Relative Intensity
53.03931	2.1
55.01861	2.6
55.05503	5.6
57.03429	2.4
57.07059	1.4
65.03923	0.8
67.05503	13.3
69.03416	3.6
69.03745	0.8
69.07062	8.7
71.04980	1.9
71.08603	0.9
71.42646	1.0
77.03907	1.4
79.05486	9.2
81.03415	47.0
81.07056	12.4
83.04990	3.8
83.08616	2.2
85.02900	1.6
85.06521	1.6
91.05471	12.1
93.07043	12.9
95.01302	0.9
95.04964	30.0
95.08604	14.3
97.02892	2.3
97.06521	3.5
98.97558	0.9
99.08089	1.1
103.05433	0.8
105.06342	1.6
105.07024	18.8
105.07730	1.0
107.04958	7.5
107.08591	19.8
109.06527	10.7
109.10149	15.0
111.08092	1.7
115.05452	2.4
117.07004	6.0
119.04941	2.3
119.07748	1.2
119.08577	19.2
121.06494	7.6
121.10139	17.0
123.04420	3.4
123.08086	5.0
123.11693	6.0
125.09633	4.3
128.06224	5.0
129.06999	8.2
130.07874	0.8
131.04924	4.5
131.08566	10.0
133.06503	6.4
133.10144	10.4
135.04390	2.1
135.08058	8.4
135.11687	10.9
137.05984	6.7
137.09618	2.7
137.13234	1.1
141.05522	0.7
141.06953	1.9
142.07813	5.0
143.08556	15.7
144.09319	2.2
145.06480	10.7
145.10123	11.0
146.07143	1.2
147.08052	12.6
147.11687	5.8
148.12076	0.7
149.05986	1.7
149.09608	3.3
149.13275	4.4
151.07527	3.2
151.11180	2.5
153.07076	1.1
155.08548	2.9
156.09341	3.5
157.06474	1.9
157.10123	13.6
158.07277	0.8
158.10773	1.0
159.08015	5.1
159.11699	16.0
160.12488	1.2
161.05977	16.6
161.09596	9.7
161.13251	2.8
162.06334	0.8
163.07565	2.0
163.11179	3.5
163.14807	2.4
165.06981	0.9
165.09068	1.1
165.12721	5.7
166.07872	1.2
167.08531	1.9
168.09428	1.0
169.10097	3.4
170.10941	1.3
171.08061	9.0
171.11688	13.1
173.09593	7.0
173.13240	6.6
175.07561	3.0
175.11125	4.2
175.14801	2.4
177.09122	8.3
177.12732	23.1
179.08575	1.5
181.10126	2.1
183.08084	1.6
183.11691	3.4
184.08740	1.3
185.09630	8.2
185.13284	4.5
186.10483	1.2
187.11177	4.8
187.14783	2.8
189.09109	6.2
189.12698	3.7
191.14252	1.3
193.10025	1.1
195.11697	1.4
197.09642	2.6
197.13319	4.4
198.14027	1.3
199.11176	7.9
199.14792	5.6
201.12729	7.1
202.09767	1.0
203.10703	4.2
203.14272	1.7
203.17960	3.1
208.12497	1.0
211.11368	1.0
213.09023	0.9
213.12761	6.8
213.16354	9.4
215.10744	1.1
215.14287	9.6
216.15080	1.1
217.12224	1.3
217.15842	6.1
223.14833	3.0
226.13420	1.6
231.13777	3.0
231.17438	6.6
241.12051	2.5
241.15849	34.5
241.19714	1.7
242.16154	1.6
244.14494	2.0
258.27271	1.1
259.13388	9.1
259.16931	100.0
259.20374	6.3
260.17340	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	259.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96085	0.2
57.05823	0.2
58.06600	1.0
69.49319	0.9
70.06595	0.2
80.76985	0.2
88.07633	0.8
116.10723	100.0
117.11065	1.2
144.10217	0.3
166.08443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.01736	1.4
55.05505	8.2
55.99657	1.5
57.07062	3.7
60.52878	1.4
62.94121	1.3
65.03963	1.6
67.05500	9.7
68.48986	1.3
69.07064	29.8
69.84824	1.8
69.85169	3.8
71.04993	21.0
71.08614	1.5
79.05491	6.2
81.07051	17.4
81.63736	1.2
83.04958	7.3
83.08605	7.3
85.06538	21.0
85.10171	1.4
91.05479	9.0
91.05961	1.7
93.07053	9.9
95.04968	3.7
95.08600	16.2
97.06506	3.9
99.08084	1.7
104.17764	1.5
105.07017	24.8
107.08591	17.3
107.13986	1.6
109.06536	6.9
109.10161	12.7
111.08060	9.1
116.96169	1.2
117.07000	3.8
119.07745	2.8
119.08570	45.2
121.10134	12.3
123.08083	2.0
123.11696	21.3
126.20045	1.3
129.06966	2.2
130.07726	1.4
131.08566	14.8
133.10121	32.0
135.08026	8.7
135.11679	5.5
137.09618	4.6
142.07742	1.8
143.08565	7.1
144.09329	1.9
145.10118	28.1
147.11684	19.5
149.09618	3.5
149.13329	3.1
156.09296	2.7
157.10126	12.8
159.11684	32.8
160.12491	3.8
161.09547	2.0
161.13246	27.1
163.11131	4.8
163.14754	1.8
170.10890	3.0
171.11688	15.1
173.13232	8.7
175.11197	4.9
175.14810	77.7
176.15489	5.2
177.12724	5.4
177.16293	1.9
185.13240	16.2
187.14799	2.0
189.12753	5.8
189.16351	6.7
190.13484	3.2
191.14264	1.9
199.14850	4.4
200.59875	1.3
201.16373	27.4
203.14296	9.4
215.17998	5.0
217.19545	3.6
241.19504	15.3
259.20557	100.0
260.20905	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	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05505	15.6
57.07071	6.4
60.18009	0.9
65.99940	0.8
67.05504	16.1
69.06717	2.0
69.07065	24.0
69.07412	0.9
70.60473	0.8
71.08633	1.4
71.85302	0.9
79.05497	8.9
81.07054	41.1
83.08617	16.3
91.05476	7.7
93.06460	1.1
93.07036	21.2
95.04973	1.1
95.08601	62.2
97.10169	8.5
105.07033	18.6
107.08591	40.0
109.10149	39.9
110.10484	1.3
111.11710	2.8
117.07011	1.9
119.08577	29.1
121.10138	51.4
123.10884	1.6
123.11705	19.6
131.08559	1.9
133.10121	24.3
134.03426	0.9
134.94507	0.8
135.11679	22.7
137.13251	14.4
145.10152	2.4
147.11687	12.9
149.13243	18.8
151.14835	4.5
159.11664	2.8
161.13263	10.3
163.14801	22.5
164.78094	0.9
173.13297	1.0
175.14815	15.5
177.16371	19.0
189.16373	39.5
201.16379	1.2
203.17929	15.1
217.19508	3.9
226.30650	1.0
241.19736	1.1
259.20688	6.8
259.24200	100.0
259.28445	2.8
260.24429	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	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.3
56.45661	1.6
57.07074	5.8
65.03928	1.7
67.05501	27.6
68.99806	2.9
69.07054	14.9
69.21615	9.6
71.08633	2.7
75.03638	1.9
79.05495	26.8
81.07053	31.9
83.08620	6.6
88.11214	1.6
88.35838	2.0
91.05477	34.7
93.07045	34.7
95.08597	34.2
97.10194	3.3
105.07019	32.0
107.08597	24.1
109.10139	12.0
117.07021	2.0
119.08576	24.9
121.10155	25.7
123.11707	4.8
129.01840	5.7
133.10127	30.3
135.11678	11.7
145.10181	3.3
147.11685	34.5
149.13251	3.1
151.14796	1.9
161.13263	20.2
163.14821	6.8
167.32127	1.8
170.81970	1.9
175.14775	16.3
177.16356	13.9
189.16422	8.6
191.17972	2.2
241.39967	1.9
259.24216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1276
Annotation	Norsanguinine
Peak:m/z	Relative Intensity
55.05513	2.7
56.05022	4.6
57.07058	2.3
58.06590	4.7
59.71429	1.7
67.29381	1.6
79.05473	1.8
80.50281	1.7
81.06995	1.6
82.06578	10.2
88.07585	1.8
93.60921	1.7
95.05025	1.8
98.97566	4.9
99.02676	2.0
102.09171	2.4
105.07025	18.2
109.06532	1.8
110.06028	3.4
116.98672	1.7
120.10229	3.5
133.06496	20.5
134.07292	1.7
139.89861	1.6
145.06403	3.2
145.10127	2.8
146.05951	4.1
154.07732	4.2
159.04333	2.0
159.08043	2.9
160.07582	11.1
161.05991	2.1
165.06921	2.1
166.07748	3.5
169.10103	2.8
171.04791	1.8
173.09615	7.6
179.08633	2.7
181.08846	3.9
182.07234	15.2
184.07513	2.3
188.07060	24.6
189.07904	8.2
196.11136	4.1
197.09595	23.2
198.09146	3.2
199.09840	4.4
200.10663	16.0
201.09134	3.0
214.12292	14.5
214.21759	2.9
218.11725	6.5
224.10680	12.7
225.09039	12.8
236.98564	2.0
242.11752	100.0
243.12189	3.2
246.44246	1.8
260.12823	84.2
260.25943	16.6
261.09485	1.7
261.12320	4.4
261.25122	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
54.70087	0.2
56.96552	1.1
57.46104	0.3
64.77154	0.2
71.05019	0.3
71.42820	0.4
73.06551	0.6
81.03407	0.3
83.04947	0.3
84.04486	2.0
84.08121	0.5
85.02908	0.3
86.09727	0.4
88.21318	0.2
97.02851	0.3
98.97574	5.4
98.98277	0.3
98.98436	0.2
99.04427	0.5
100.97218	0.3
101.00872	2.3
105.49262	0.2
116.98621	3.7
119.01097	0.5
119.01913	8.4
130.04993	2.0
134.99652	2.0
137.00117	0.3
137.02930	1.5
140.98761	0.5
143.01855	0.3
147.07622	0.8
153.00755	0.3
158.99835	1.7
161.02977	0.3
170.04437	0.3
175.03070	0.4
175.04518	0.3
177.00934	16.0
178.01054	0.6
182.99947	0.4
191.03998	0.3
197.07391	0.3
201.00891	1.9
217.04060	2.8
219.01988	23.3
220.02136	1.3
221.01773	0.4
225.00900	2.2
237.02989	0.3
237.98679	0.9
243.01961	11.0
244.02130	0.7
247.59926	0.3
261.03033	100.0
262.03174	6.0
263.03433	0.4
279.00543	3.3
284.04626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0765
Annotation	Khellin
Peak:m/z	Relative Intensity
60.44812	0.8
61.51361	0.8
69.03424	1.2
79.05479	0.8
81.07005	0.9
84.04512	1.6
86.09705	1.5
95.04955	1.8
98.22717	2.4
107.04994	0.8
112.11288	0.8
116.98576	1.2
130.06544	1.2
144.08055	0.8
148.59398	0.8
149.07887	0.9
163.87425	0.8
197.13109	0.8
215.10674	2.2
228.07648	1.2
243.06567	6.4
243.10194	2.4
261.07635	100.0
262.07700	2.6
269.02863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1122
Annotation	Brachymeral
Peak:m/z	Relative Intensity
53.03939	2.2
55.01865	2.4
56.05039	2.5
65.03944	2.4
67.05508	6.5
68.99792	1.3
69.03432	4.2
69.73073	3.8
71.01343	1.5
73.57005	1.3
79.05495	17.5
81.03493	1.9
81.07050	13.1
83.04953	2.3
88.07620	6.1
91.05473	11.1
93.07048	5.7
95.04969	14.1
95.08605	21.9
97.02895	14.6
98.22777	1.9
103.05458	3.7
105.07028	67.5
106.08665	2.4
107.04929	3.3
107.08591	6.6
109.02877	62.6
109.06518	25.0
111.04433	6.6
115.05457	4.6
117.07040	7.2
119.04971	2.1
121.06515	3.5
123.08056	18.9
128.06229	1.9
129.06996	4.3
131.08551	2.1
133.06485	61.5
133.22842	1.4
133.36473	1.6
135.04414	2.8
135.08049	3.6
137.05988	2.7
141.07004	1.9
142.07802	3.8
143.08545	1.8
144.09302	1.5
145.06485	3.8
145.10065	1.8
149.05980	1.9
150.06763	5.3
151.03902	6.2
151.07533	57.8
153.05481	6.5
154.07779	3.5
158.06064	2.1
159.08064	2.6
159.11687	5.4
161.05980	37.5
161.07309	2.4
161.09624	2.4
168.29102	1.5
169.10133	4.9
172.08853	2.4
173.09601	2.3
179.07022	100.0
180.07246	1.5
182.07295	1.7
185.67685	1.6
187.11182	7.2
197.09587	6.3
198.94432	1.3
199.11160	6.1
213.09218	1.6
214.21666	7.8
215.10664	22.3
231.10133	4.2
243.10135	12.8
260.25897	1.8
261.11108	13.9
262.23822	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	261.1122
Annotation	Azedararide
Peak:m/z	Relative Intensity
53.03936	1.5
55.01871	2.6
55.05510	2.0
57.07067	2.4
58.06593	2.6
60.35115	1.1
67.05482	6.3
69.03424	5.0
69.68492	4.7
70.06580	4.5
71.01329	1.1
71.04963	1.4
79.05494	16.6
81.07060	8.4
83.04982	2.1
88.07630	5.0
91.05459	7.8
93.07039	4.9
95.04974	11.9
95.08591	19.3
95.09145	1.8
97.02882	14.4
99.96397	1.0
103.05459	2.8
105.07023	57.1
107.04983	2.4
107.08589	6.1
109.02878	10.9
109.06516	19.6
114.09178	2.0
115.05456	2.1
117.07029	4.9
119.08568	1.3
121.06461	2.7
123.04377	1.6
123.08048	16.8
128.06248	1.6
129.06989	2.7
129.55573	1.0
130.06580	2.1
131.08545	3.4
132.10223	8.3
133.06485	44.4
135.04424	4.3
135.08035	5.0
137.05977	8.5
138.43216	1.0
141.06964	3.2
142.07756	2.3
143.08591	3.0
144.09366	1.1
145.06485	7.0
145.10152	1.6
147.08018	1.3
147.11687	1.2
149.05992	1.9
150.06731	6.6
150.11264	6.2
151.03897	17.5
151.07529	31.9
151.08737	1.7
154.07759	4.6
155.08522	2.3
156.09367	1.4
157.06590	1.1
157.10156	2.8
158.05974	2.5
158.07208	2.1
159.08061	3.4
159.11647	3.5
161.05965	18.4
161.09596	2.1
163.07492	2.4
169.10124	4.2
171.11707	2.0
172.08797	4.2
173.05988	9.4
173.09624	3.5
175.07561	4.5
177.05450	1.5
179.07019	100.0
180.07332	1.4
182.07204	1.4
183.07962	1.2
185.09505	1.4
187.11163	7.4
191.07060	1.9
197.09561	7.4
199.11182	5.6
200.08363	1.6
201.09076	3.5
215.10664	21.3
218.21146	1.3
223.93596	1.1
225.09116	1.9
228.07819	1.6
231.10207	2.6
236.37006	1.2
243.10147	24.8
261.11050	16.9
262.23746	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	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05511	23.1
56.05027	6.3
56.52059	1.1
57.07072	10.9
58.99587	18.2
61.01146	8.0
67.05496	2.6
68.05016	3.7
69.07067	3.8
70.02940	2.8
70.06593	8.1
71.08630	1.3
73.01147	10.9
74.00656	9.3
74.02444	3.4
76.02225	5.3
76.03997	2.9
77.06122	1.1
79.05493	11.0
81.07059	27.4
82.06583	2.6
83.04974	1.8
83.08620	16.7
84.04507	12.4
85.01120	9.9
86.99055	9.8
87.02693	3.5
87.04444	2.8
88.02203	7.3
88.07634	5.2
88.99527	1.2
91.05481	2.8
93.07043	2.7
95.08581	5.7
97.06538	2.5
98.09079	1.3
98.09673	6.7
99.02678	8.3
100.11252	47.9
102.03789	1.4
102.09205	2.8
105.07015	3.2
107.08598	4.4
109.06617	1.4
112.03970	16.6
112.11238	16.0
113.04232	1.9
115.05781	14.0
116.01674	31.4
116.02451	2.2
116.05309	24.9
116.94168	1.2
123.08131	1.4
124.11222	6.5
127.03961	1.2
130.05006	14.3
131.08574	1.6
135.08122	1.9
141.07324	21.9
143.08789	1.2
144.01160	7.0
149.06097	1.3
158.10002	100.0
158.11772	54.4
159.10303	2.1
159.11722	1.4
162.02213	16.0
174.02248	2.1
176.14381	2.0
186.09563	1.3
200.20100	12.4
201.20485	2.4
244.10007	47.5
261.12714	66.4
261.18515	2.2
261.22488	3.4
262.13058	1.9
262.18036	3.2
262.23755	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	261.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05512	13.1
58.06588	4.2
67.05511	1.0
69.28069	1.9
69.28482	3.6
73.46672	1.0
83.04977	100.0
91.05439	1.3
98.22726	2.4
98.97574	1.8
105.07011	3.8
113.39105	0.9
124.03939	3.8
130.06519	2.6
131.23172	0.9
138.05461	2.1
158.06004	3.4
161.09633	2.5
174.05585	1.5
185.80437	0.9
217.10146	2.6
219.11632	1.4
231.11653	4.3
232.12202	1.2
233.13142	1.7
246.14079	4.3
252.04257	1.1
261.12418	7.8
261.16342	9.9
261.22083	2.2
262.18152	7.1
262.25375	2.2
278.96783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.8
60.08165	3.7
69.61740	1.1
80.17368	0.3
81.67454	0.3
86.09692	1.9
87.11946	0.4
104.10737	100.0
105.11071	0.7
116.10793	0.6
121.83716	0.3
142.43523	0.3
146.09438	0.4
150.16466	0.3
221.05588	0.5
221.07454	0.4
229.03169	2.8
243.04761	0.5
260.13794	0.4
261.05814	6.6
261.09204	0.8
261.21588	0.5
273.94382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
58.06595	0.5
59.07364	0.3
60.08161	4.5
70.52723	0.4
74.57626	0.3
76.03801	0.3
82.99828	0.3
84.08128	2.0
85.08482	1.0
86.09731	0.5
97.47131	0.4
98.97584	3.1
100.26340	0.3
101.00868	2.0
104.10741	100.0
105.11071	0.9
116.98640	0.9
119.01904	1.8
121.01683	0.4
129.10173	0.4
133.03513	0.5
158.99873	0.5
177.00937	3.4
201.00963	0.9
217.04173	0.7
219.01999	4.7
219.03857	0.5
220.02206	0.5
225.00975	0.7
229.03244	1.3
243.02031	3.4
261.03119	26.3
261.05841	4.3
261.09317	4.5
262.03168	3.6
264.13437	0.3
279.00735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	3.1
55.01863	1.7
55.05263	1.2
55.05511	15.2
57.03440	1.9
57.06861	0.8
57.07078	8.1
65.03934	2.5
67.05504	54.9
69.06770	1.2
69.07072	14.3
69.13615	0.9
69.47385	4.8
71.04995	2.1
71.08614	3.7
77.03916	1.7
79.05492	78.7
80.05788	1.2
81.03415	3.6
81.07056	56.4
83.04972	1.2
83.08624	11.1
84.10661	0.9
85.06529	3.8
85.10161	2.3
91.05476	42.0
93.07042	100.0
94.07342	1.3
95.04517	0.9
95.04976	11.3
95.08606	40.4
97.06507	4.9
97.10149	3.6
99.08089	4.9
103.05418	1.0
105.04516	3.4
105.06354	1.8
105.07025	26.6
107.04924	1.1
107.08590	60.4
109.06512	3.4
109.10152	16.4
111.08080	2.9
113.09621	1.8
117.07018	10.5
119.06074	1.0
119.08582	19.5
121.09262	2.2
121.10143	44.9
123.08064	2.7
123.11692	6.2
125.09591	1.6
128.65312	0.9
129.06970	1.6
131.08562	22.6
132.08871	0.9
133.10124	13.5
135.08076	1.7
135.11690	32.6
137.09608	1.4
137.13222	1.9
145.10127	18.8
147.11685	13.4
149.09601	3.7
149.13257	26.9
157.09988	0.9
159.11682	12.2
161.13243	13.0
163.11143	2.0
163.14824	17.4
165.12659	1.4
173.13269	11.2
175.14813	3.8
177.16371	5.0
179.14281	2.8
187.14804	8.0
194.76634	1.0
201.16330	3.1
205.15837	1.5
215.17908	1.8
219.17436	1.3
233.22682	2.4
243.21085	31.2
261.22083	96.6
262.22418	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02373	0.6
53.03936	1.5
55.01871	0.9
55.05506	13.8
55.21981	0.4
57.03432	1.0
57.07071	4.5
58.06601	0.7
61.36520	0.5
65.03922	1.3
67.05499	38.7
69.06708	0.8
69.07061	11.5
69.28075	2.2
71.04980	1.9
71.08618	1.6
72.94560	0.5
77.03915	1.7
79.05485	58.3
80.05824	1.0
81.07049	45.0
83.04954	1.1
83.08611	7.7
85.06532	3.0
91.05468	28.4
93.07036	74.5
94.07359	1.1
95.04948	6.7
95.08597	37.3
97.06520	3.5
97.10140	2.4
99.08089	2.8
103.05497	0.6
105.04524	3.2
105.07018	18.1
107.08582	48.0
108.08874	0.5
109.06516	2.3
109.10143	13.2
110.93013	0.5
111.08077	2.2
111.11703	1.0
113.09626	1.3
117.06999	6.2
119.06072	0.8
119.08567	13.6
119.09420	0.7
121.10133	40.7
122.10437	0.8
123.08067	2.2
123.11703	5.0
125.09600	0.9
129.07016	0.8
130.07822	0.6
131.08553	14.5
133.10114	12.5
135.11678	34.2
136.12024	0.8
137.09621	1.4
137.13268	1.5
143.08498	0.7
145.10112	14.1
147.11664	10.5
149.09583	1.6
149.13237	26.2
150.13557	0.8
151.11172	1.1
151.14790	0.9
159.11690	9.5
161.13249	10.6
163.11203	0.8
163.14806	16.9
165.12735	1.1
171.11729	0.6
173.13242	9.3
173.14594	0.9
175.14819	5.0
177.12759	0.5
177.15030	0.6
177.16386	4.4
179.14304	1.7
187.14812	6.6
189.16345	0.8
201.16348	2.9
202.88120	0.5
205.15916	1.0
215.17964	2.0
219.17418	0.7
233.22614	1.0
239.77711	0.5
243.21046	26.3
244.21382	0.9
261.12634	2.2
261.22110	100.0
262.22540	3.3
262.24924	0.5
278.08380	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.84280	0.8
52.09806	0.9
53.03952	1.4
53.29605	0.9
55.01868	1.5
55.05511	13.9
56.96579	1.2
57.03450	0.9
57.07064	3.8
58.06582	3.9
61.15195	1.1
65.03935	2.0
66.83698	1.0
67.05501	45.1
69.07066	12.0
71.04994	1.7
71.08630	1.5
73.12232	1.0
77.03931	2.0
79.05489	64.7
81.03395	1.3
81.07050	51.8
83.04980	1.3
83.08602	7.9
85.06553	4.9
91.05473	31.3
93.07038	84.5
95.04974	8.0
95.08598	34.8
95.09207	1.4
97.06514	3.3
97.10184	2.2
99.08092	2.6
105.04504	2.2
105.07019	20.1
107.08587	53.2
109.06538	2.5
109.10152	13.2
111.08084	2.0
113.09678	1.6
117.07020	5.7
119.08582	16.1
121.10135	41.3
123.11694	4.1
128.49782	0.9
130.06499	1.0
131.08551	14.5
133.10112	13.7
135.08040	1.1
135.11684	36.3
137.09563	1.3
137.13234	1.4
139.11101	1.6
145.10123	15.8
147.11655	10.5
149.09634	1.2
149.13249	29.0
151.11102	1.7
153.12688	1.2
158.06017	3.8
159.11700	10.4
161.13226	12.3
163.14804	15.0
165.12711	1.5
173.13261	10.6
175.14859	4.0
177.16373	3.4
179.14253	2.1
183.71843	1.0
187.14833	7.1
201.16425	3.3
215.18048	1.5
233.12788	1.4
243.21059	25.3
261.12430	9.2
261.22122	100.0
262.18140	1.3
262.22446	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	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03937	1.7
55.01869	1.1
55.05262	0.9
55.05509	11.7
57.03425	1.8
57.07078	4.8
65.03923	1.7
67.05501	40.4
67.23299	0.7
69.06702	1.0
69.07067	11.6
69.30659	3.8
70.98487	0.6
71.04984	2.7
71.08620	1.9
77.03915	2.3
79.05489	55.4
80.05810	0.8
81.03475	0.7
81.07053	42.6
83.04970	0.9
83.08620	7.6
85.06532	2.7
85.10192	0.9
91.05476	25.4
93.07040	72.5
95.04957	6.6
95.08603	29.7
95.09219	1.4
97.06554	3.2
97.10159	2.4
99.08075	2.6
105.04500	2.7
105.07024	18.5
107.04954	1.3
107.08588	45.3
109.06518	1.8
109.10151	12.1
111.08070	2.9
111.11732	0.7
113.09656	1.5
117.07018	7.3
119.08565	13.6
121.06451	0.8
121.10140	37.2
123.08047	2.0
123.11713	3.4
125.09624	1.0
131.08557	13.3
133.10114	11.9
135.08057	2.0
135.11685	30.5
137.09627	0.9
137.13243	1.8
145.10109	12.5
147.11684	8.9
149.09596	3.0
149.13243	22.4
151.11221	0.9
151.14821	1.0
159.11697	8.4
161.13271	10.4
163.11127	1.7
163.14803	13.5
165.12714	1.0
173.13258	8.7
175.14853	3.9
177.12778	1.0
177.16423	2.7
179.14241	1.7
187.14809	4.9
191.14285	0.8
201.16396	2.8
205.15854	1.0
210.70699	0.7
215.17955	1.0
233.22643	1.2
243.21059	22.9
261.22122	100.0
262.22375	2.3
273.57080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	2.3
55.01868	0.7
55.05506	14.5
56.85038	0.7
57.03433	2.1
57.07080	3.4
58.06594	1.4
65.03934	1.7
66.54176	0.6
66.99944	0.6
67.05500	39.9
69.07063	11.0
69.75379	2.3
71.04969	2.0
71.08611	1.0
71.62956	0.8
77.03929	1.7
79.05488	60.3
80.05812	0.7
81.07052	45.2
83.04971	0.9
83.08611	6.6
83.37347	0.9
85.06532	3.2
91.05474	27.4
92.05771	0.7
93.07037	75.3
94.07334	1.0
95.04971	6.1
95.08598	32.3
97.06508	3.0
97.10150	2.8
97.56571	0.7
98.23454	0.8
99.08078	3.1
105.04486	2.0
105.07028	16.6
107.05002	0.7
107.08586	50.1
109.06497	1.5
109.10151	13.0
111.08053	2.8
113.09645	1.1
117.07017	7.5
118.67033	0.7
119.06063	1.2
119.08575	13.0
121.10139	40.4
123.08060	0.9
123.11690	4.1
125.09634	1.4
125.30342	0.7
129.07054	0.7
131.08548	16.1
133.10118	12.9
135.11679	34.5
136.12108	0.7
137.09587	1.9
137.13268	1.5
143.08476	0.8
145.10118	13.0
147.11662	12.1
149.09650	1.0
149.13242	26.1
158.06015	1.4
159.11682	9.7
161.13237	10.1
163.14798	14.3
165.12750	1.3
166.30402	0.8
173.13251	9.7
175.14799	4.8
177.16350	3.7
179.14310	2.0
187.14796	7.2
189.16380	1.0
201.16389	3.5
203.25668	0.7
205.15901	1.0
215.17938	0.9
219.17348	0.8
233.22659	0.8
243.21074	26.0
261.12509	5.4
261.22116	100.0
262.22552	3.6
262.25024	1.0
279.36298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
51.32472	0.3
57.07054	0.8
70.06573	1.2
71.02420	0.3
71.08622	0.4
87.04462	29.6
88.07627	1.8
97.02866	0.3
105.07014	0.5
106.07387	0.3
113.10767	0.3
114.09149	0.4
118.06536	11.2
124.08306	0.4
132.08086	3.5
132.10193	2.0
133.08844	2.1
134.09634	0.6
134.11205	0.3
146.09633	3.5
147.10411	0.5
148.11163	0.4
150.11250	2.0
160.11166	0.4
176.14333	65.3
177.14668	1.6
179.06973	0.6
180.07350	1.0
200.11444	0.3
214.31367	0.3
218.11736	0.3
218.21184	0.3
262.17999	100.0
262.23721	11.7
263.18381	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	262.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.5
57.07051	2.7
58.06579	7.6
60.04513	7.9
67.05482	6.6
67.29203	2.0
68.75175	2.2
69.07060	8.1
70.06591	71.8
77.39049	1.9
79.05475	8.0
81.07059	12.6
89.94415	1.8
91.05472	10.8
93.07031	7.9
95.08608	13.9
105.07029	38.5
107.08613	10.4
109.10117	14.6
111.24165	2.0
112.07597	31.7
118.97256	1.9
119.08578	38.4
121.10133	11.7
123.11661	7.1
133.10092	17.3
137.05110	1.9
147.11684	48.5
149.07120	2.2
161.13245	8.3
169.31506	1.8
175.14806	3.5
195.33472	2.2
197.15274	1.8
203.17944	92.6
204.18288	2.3
220.20586	4.0
262.18106	11.8
262.21640	100.0
263.21939	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73937	25.4
70.98566	43.1
73.04436	21.5
75.55350	27.2
80.63249	24.1
87.04451	27.2
92.72883	23.0
101.00886	33.3
102.57294	23.6
104.10728	30.4
113.69956	24.1
120.19794	26.5
143.01862	30.6
152.36714	23.4
152.40341	25.5
161.02965	100.0
203.04041	25.9
228.25273	24.9
263.01666	59.5
270.23666	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63453	0.4
53.90825	0.3
57.03461	0.7
60.08196	0.7
61.02930	2.1
67.57659	0.4
69.03432	2.0
69.63165	1.7
70.99871	0.4
72.83083	0.4
73.02910	3.4
81.03455	0.5
82.99821	1.9
85.02895	2.6
89.87365	0.3
91.03983	1.4
97.02882	2.7
97.62148	0.3
101.00876	21.3
101.75436	0.4
102.02430	0.4
104.10738	12.6
105.11071	4.2
105.11659	0.5
106.11333	0.3
109.02991	0.3
109.93286	0.4
111.02918	0.5
111.25852	0.4
113.00854	2.5
117.11105	0.7
119.01917	32.6
120.02224	0.5
123.02977	0.5
127.02412	0.5
127.03948	0.9
129.02914	0.6
131.01913	5.8
135.02832	0.7
137.02925	2.6
138.03442	0.9
142.03535	0.4
143.01895	41.9
144.02048	0.8
145.03459	2.0
147.03879	0.8
149.02980	0.5
153.03961	1.9
155.01883	5.0
157.03487	2.7
161.02954	100.0
162.03125	3.3
162.04396	0.7
173.02971	8.5
174.04506	2.0
175.04584	0.6
179.03975	2.4
183.04951	3.1
184.04565	1.1
185.02991	3.4
187.04480	0.9
191.04034	3.9
192.05605	0.6
197.02905	1.5
203.04004	23.8
204.04146	0.6
215.03934	0.8
221.05058	4.0
223.28232	0.4
233.05014	0.5
234.06578	0.9
239.06073	1.1
245.05051	4.2
257.04834	0.5
263.06021	17.7
264.06134	0.6
281.06995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15480	0.6
56.97910	0.5
58.06602	3.7
58.06821	0.7
59.62241	0.5
59.75665	0.5
60.08166	69.3
69.17322	4.2
70.06567	2.8
70.58465	0.7
71.27833	0.7
71.65334	0.7
78.76463	0.6
79.05508	0.8
81.07026	0.8
91.05495	0.9
103.05479	1.2
104.99271	1.9
105.06980	1.2
115.05485	1.5
116.07097	6.2
118.08642	1.0
120.08109	12.2
130.06531	100.0
131.04926	1.0
131.06863	1.6
132.04460	23.9
145.06558	0.9
148.07588	8.1
158.06017	92.4
159.06331	2.5
175.07506	0.8
176.07082	22.6
176.08626	1.2
186.05499	46.9
187.05840	0.8
189.05424	0.8
192.97139	0.8
204.06563	52.4
205.06903	1.1
245.09795	2.5
263.10507	1.6
263.13956	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	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32537	0.7
55.62749	0.7
58.06589	2.8
59.07371	0.8
60.08161	69.5
65.35118	0.7
65.38939	0.7
70.77373	0.9
78.07167	0.7
80.74239	0.7
103.27790	0.7
104.04929	1.2
104.99255	1.5
115.05415	1.2
118.08678	1.4
120.08086	2.7
130.06523	97.0
131.04967	1.3
131.06868	2.0
132.04446	23.3
148.07549	7.7
151.09149	0.7
152.43536	0.7
158.06009	100.0
159.06340	2.6
160.07593	1.3
176.07062	21.0
186.05492	50.8
187.05850	1.8
190.85948	0.7
204.06549	50.4
205.06764	1.2
263.13904	39.6
264.14349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
55.01852	2.3
55.05505	12.5
60.05637	4.1
60.08145	3.9
67.05492	7.2
69.03423	9.8
69.07075	13.1
71.01354	1.8
71.05007	3.6
75.76424	1.6
79.05491	16.5
81.07052	11.1
83.04976	21.9
84.89095	1.6
91.05474	23.4
93.07044	65.9
95.04951	7.5
95.08588	6.5
97.06525	18.4
99.04426	3.1
101.31268	1.7
105.07027	65.9
107.04943	5.3
107.08588	29.2
109.06508	6.7
109.10148	3.1
111.08006	1.9
115.05394	2.1
117.07022	6.6
119.08571	42.6
121.06496	14.0
121.10139	22.7
123.08074	2.3
125.05993	25.1
128.06204	2.1
129.05470	1.9
129.06984	7.3
130.06497	6.5
130.07753	3.5
131.08560	16.9
132.04393	1.8
132.09331	2.6
133.06476	3.0
133.10132	24.0
135.08069	4.1
137.02336	4.2
137.05965	4.3
139.07523	1.8
142.07765	5.2
143.07002	9.4
143.08557	14.4
145.10112	34.7
147.08000	6.5
147.11676	91.3
148.12027	2.7
149.09605	42.7
150.55762	1.9
151.07449	2.7
156.09308	3.6
157.10117	24.8
158.05968	6.4
159.11662	6.7
161.09607	7.6
161.13239	3.8
162.10310	3.2
163.11194	5.8
169.08630	3.5
170.10956	3.8
171.11664	7.9
175.11221	2.3
175.14815	9.3
183.10107	3.3
185.13257	26.3
189.09047	3.8
191.10629	2.0
199.07336	2.3
199.14850	10.3
201.16467	2.2
203.10696	2.8
203.14276	8.8
204.06544	9.9
207.10233	2.1
215.33014	1.9
217.12250	2.3
217.15903	13.7
224.24115	1.8
227.14317	5.2
229.44882	1.9
238.97470	1.9
245.15355	30.7
246.15544	2.0
263.16412	100.0
264.16855	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	263.1644
Annotation	3alpha-Methoxy-desoxo-achalensolide
Peak:m/z	Relative Intensity
53.03944	1.3
55.01855	1.4
55.05504	8.8
55.23568	0.7
60.05642	2.2
60.08154	2.6
65.03941	0.8
67.05515	4.4
69.03423	7.1
69.07071	5.4
70.49140	1.8
71.01335	1.3
71.04999	7.2
79.05494	7.1
81.07056	6.5
83.04976	9.1
89.02396	0.9
91.05476	19.9
93.07042	29.2
95.04962	4.2
95.08602	6.8
97.06535	7.6
99.04458	3.9
103.05438	1.8
103.39570	0.8
105.07026	71.1
107.04964	1.2
107.07926	1.5
107.08591	20.8
109.06499	4.6
109.10138	2.2
111.04455	1.2
111.08069	1.7
113.05988	1.0
115.05504	1.5
116.06193	1.2
117.06992	6.2
119.08576	49.3
120.08844	1.0
121.06518	5.8
121.10139	12.3
123.08057	2.3
125.05977	9.3
128.06201	3.0
129.05484	1.0
129.07013	4.5
130.06516	3.3
130.07794	3.0
131.08559	10.7
132.04465	1.2
132.09317	1.7
133.06554	0.9
133.07593	0.8
133.10127	20.1
135.08026	2.3
135.11659	3.3
137.02382	1.4
137.05977	1.1
139.07561	2.2
142.07759	5.3
143.07153	3.8
143.08562	13.3
144.09230	1.0
145.10129	24.8
146.10643	0.9
147.08109	5.0
147.11681	100.0
148.11966	2.2
149.09605	15.5
151.07538	1.9
153.05486	1.0
155.08577	1.9
156.09328	3.4
157.10133	21.9
158.05997	3.4
158.10837	1.0
159.08067	0.9
159.11711	6.1
161.09642	4.2
161.13258	2.0
163.07472	1.6
163.11171	2.2
165.09166	1.1
169.08568	1.1
170.10898	3.1
171.11671	5.0
173.09650	0.8
173.13168	2.2
175.07489	1.3
175.11186	2.5
175.14807	6.8
179.08566	0.9
183.10149	2.5
183.11641	1.5
185.09579	1.1
185.11711	1.4
185.13255	20.4
186.05510	1.1
186.13875	1.9
187.11102	1.9
189.09111	2.1
189.12744	1.4
199.14806	9.4
201.16391	2.6
203.10664	3.0
203.14294	8.0
204.06503	3.8
205.07292	3.5
205.12248	1.8
209.13255	1.0
217.12352	1.8
217.15829	6.1
219.17401	2.9
227.14281	3.5
236.79112	1.0
245.11725	1.6
245.15370	27.1
246.15683	1.4
263.13623	2.4
263.16409	39.4
264.08569	2.5
264.16733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3alpha-Methoxy-desoxo-achalensolide
Peak:m/z	Relative Intensity
53.03927	2.7
55.05507	10.0
60.41953	1.0
67.05493	5.3
69.03432	6.9
69.07065	6.2
70.24427	2.0
70.24757	1.5
71.01349	1.5
71.04976	3.8
77.03885	1.5
79.05489	9.5
81.06629	1.1
81.07026	6.9
83.04973	9.6
89.02348	1.1
91.05482	18.6
93.07043	29.7
95.04952	3.6
95.08595	5.0
97.06538	7.8
103.05459	2.0
105.04536	1.8
105.07026	66.5
107.08597	20.5
109.06525	3.4
109.10143	1.7
111.04441	1.3
115.05415	1.4
117.07019	9.6
119.08575	42.3
121.06495	6.0
121.10139	11.2
123.08078	2.6
125.05989	8.7
128.06229	3.1
129.05472	3.2
129.06979	5.5
130.07784	3.3
131.08546	11.6
132.09348	1.8
133.06369	1.2
133.10121	21.4
135.08098	1.5
135.11684	2.9
137.06021	1.8
139.07478	1.3
141.06923	1.4
142.07779	5.4
143.07031	5.6
143.08565	14.4
145.10115	29.7
147.08046	4.2
147.11679	100.0
148.12029	2.1
149.09622	14.7
151.07535	1.6
156.09375	2.4
157.10126	19.6
158.10547	1.4
159.11694	5.1
161.09607	3.9
161.13242	1.5
163.11176	2.8
167.08504	1.2
169.08583	1.4
170.10873	4.6
171.11725	3.7
173.13326	1.2
175.11259	2.3
175.14818	6.4
183.10181	1.9
183.11655	1.8
185.13255	21.2
187.11005	1.3
189.09015	1.8
195.61255	1.2
199.14780	8.6
201.16379	2.5
203.10698	2.2
203.14293	8.2
204.06577	1.9
209.13255	1.1
217.15880	5.3
219.15311	1.3
219.17349	2.8
219.64481	1.1
219.78444	1.1
227.14294	4.0
245.15384	30.7
252.66660	1.2
263.16418	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	263.1642
Annotation	Subergorgic acid methyl ester
Peak:m/z	Relative Intensity
55.01854	0.7
55.05506	3.1
57.07062	1.0
65.03902	0.7
67.05492	3.7
67.22358	0.5
69.03403	1.6
69.07076	3.5
71.02108	1.2
71.08578	0.5
79.05115	0.5
79.05493	6.7
80.24712	0.6
80.60502	0.5
80.61010	0.5
81.07057	7.7
83.04958	1.9
85.06533	0.9
91.05479	10.3
93.07047	7.4
95.04958	1.9
95.08616	5.3
97.06518	1.6
104.99292	5.1
105.07025	14.9
107.04971	0.7
107.08586	13.8
109.06499	2.6
109.10194	0.8
110.74055	0.6
111.08095	0.9
115.05445	2.0
117.07014	2.9
119.06072	0.8
119.08575	16.9
121.06477	3.1
121.10111	2.1
123.08067	8.3
128.06230	1.7
129.06976	1.3
130.07777	0.6
131.08556	2.7
133.06473	1.1
133.10126	19.5
135.08051	55.4
135.11676	11.9
136.08379	0.8
137.09605	2.0
141.06961	0.6
142.07793	2.3
143.08577	5.5
144.09323	0.6
145.06468	1.3
145.10112	6.8
146.07219	2.2
147.08032	12.2
147.11688	6.9
149.09605	3.5
155.08475	1.2
156.09373	0.6
157.10120	4.6
159.08043	1.8
159.11676	2.5
159.12936	0.5
160.08813	1.2
160.12477	1.1
161.09615	23.0
161.13254	2.5
163.11200	0.6
170.10910	4.6
173.09610	5.0
174.10396	1.6
175.11179	2.5
175.14819	28.5
177.09071	0.9
177.12769	0.6
177.47014	0.6
185.13249	12.8
187.11195	1.2
188.11995	4.7
189.12773	1.8
203.14305	100.0
204.14636	2.7
213.27902	0.6
220.65857	0.5
221.15355	1.5
250.51584	0.6
263.16428	29.7
263.25729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	Subergorgic acid methyl ester
Peak:m/z	Relative Intensity
55.01852	0.6
55.05519	2.8
57.03427	0.5
62.91467	0.5
67.05496	3.4
69.03414	1.4
69.07065	3.9
71.01792	1.2
71.04969	0.6
73.27622	0.5
77.03921	0.6
79.05492	6.6
81.07050	7.8
83.04981	1.1
83.08608	1.0
83.85046	0.4
85.06523	0.7
91.05470	10.3
93.07032	7.3
93.39899	0.5
95.04962	1.1
95.08597	5.8
97.06518	1.3
99.13431	0.5
104.99260	1.8
105.07024	12.9
107.04908	1.1
107.08591	15.0
107.74409	0.5
109.06542	2.3
109.10116	0.6
111.08106	0.8
115.05441	1.6
117.07002	2.2
117.39384	0.6
119.06078	1.1
119.07749	1.1
119.08569	17.4
121.06491	2.3
121.10114	2.3
123.08057	8.4
128.06215	1.5
129.06976	1.1
131.08575	2.7
133.06468	1.2
133.10118	20.9
133.15898	0.5
135.08046	57.0
135.11664	11.1
136.08385	1.0
137.09650	1.0
142.07722	1.4
143.08556	4.5
145.06445	1.1
145.10115	7.1
146.07242	1.7
147.08046	12.0
147.11681	7.7
149.09604	3.6
155.08517	1.3
156.09315	1.4
157.10100	4.3
159.08031	2.0
159.11684	2.0
160.08841	1.9
160.12453	0.8
161.09608	24.8
161.13257	2.7
162.10077	0.9
163.11160	0.7
164.11916	0.5
170.10835	3.5
173.09578	6.2
174.10365	1.8
175.11285	2.8
175.14809	30.8
176.15178	1.1
185.13234	11.7
187.11159	2.2
188.11951	6.3
189.12724	3.0
203.14299	100.0
204.14594	2.6
221.15381	2.7
263.16409	32.2
264.16855	0.6
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
50.60604	0.8
53.03937	1.4
55.05508	16.8
57.03436	1.5
57.07073	11.8
65.03947	2.4
67.05502	94.1
69.03446	1.0
69.07065	17.2
69.17064	1.7
69.17479	4.5
71.04991	1.5
71.08631	8.1
79.05487	22.8
81.07053	100.0
82.07395	1.5
83.03944	0.8
83.04988	2.0
83.08619	13.7
85.06533	3.6
85.10178	3.2
88.59866	0.7
91.05474	18.2
91.05991	1.6
93.07041	27.0
95.04977	3.1
95.08600	92.7
96.08939	1.3
97.06511	6.7
97.10158	7.2
98.59245	0.8
99.08076	5.8
104.99262	18.1
105.07034	13.3
107.08586	15.0
109.06512	2.3
109.10152	48.4
111.08072	5.4
111.11713	1.7
113.09651	3.3
117.93473	0.8
119.08563	13.0
121.10143	19.7
123.08107	1.6
123.11694	18.7
125.09624	1.3
127.11166	1.5
132.98302	0.9
133.10115	15.3
135.11699	10.1
137.09587	2.3
137.13222	9.1
139.11205	1.7
141.12712	2.5
147.11673	10.1
149.13263	9.9
151.11113	1.6
151.14812	8.3
151.27588	0.9
155.14308	1.9
161.13245	12.2
163.14804	9.6
165.16386	10.3
167.14270	0.8
175.14824	7.4
177.16548	1.6
179.17946	3.5
181.15794	1.2
186.80794	0.9
189.16351	3.0
203.17862	1.1
217.19557	1.5
245.22643	31.4
246.22844	2.0
263.23691	81.1
264.23923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01867	1.1
55.05509	15.3
57.03435	1.9
57.07071	12.0
65.03931	2.2
67.05499	91.7
68.05822	0.8
69.06721	0.8
69.07065	14.8
69.16351	3.7
69.71871	0.8
71.04972	1.1
71.08630	6.3
78.98374	0.8
79.05488	22.1
81.07052	100.0
82.07398	1.0
83.04973	2.0
83.08620	14.4
85.06543	4.4
85.10183	2.4
91.05474	18.5
93.07040	22.9
94.28760	0.9
95.04969	2.9
95.08601	83.0
96.08936	1.2
97.06526	7.3
97.10166	6.4
99.08090	6.0
104.99275	10.0
105.07036	11.0
107.08594	13.4
109.10146	42.4
111.08086	5.1
111.11708	1.2
113.09641	3.0
115.29507	0.9
119.08573	12.0
121.10141	14.9
123.08055	2.8
123.11698	18.6
125.09619	1.1
125.18945	0.8
127.11205	1.6
133.10133	13.5
135.11688	9.3
137.09616	2.3
137.13235	6.4
141.12752	1.8
147.11681	9.7
149.13237	7.9
151.14807	7.8
155.14267	1.7
161.13252	9.8
163.14796	7.0
165.16382	8.1
175.14796	7.8
177.16316	1.3
179.17978	3.1
189.16385	2.9
196.39830	0.8
196.56052	1.0
203.17905	1.6
217.19466	1.4
245.22643	29.6
263.23682	65.3
264.23984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50546	0.6
55.69128	0.8
56.05008	0.7
56.96563	100.0
67.98174	0.9
70.02082	2.0
70.06580	1.0
71.95235	0.7
72.96050	1.2
74.97610	1.6
81.04532	2.5
83.97626	1.3
84.04498	1.3
84.08133	5.5
85.02895	1.0
85.08459	0.8
85.99186	0.7
88.98267	0.6
91.05514	0.7
98.97579	15.1
116.98620	9.9
120.08098	0.8
122.07139	14.6
130.08626	0.7
134.09657	4.1
134.99619	3.6
135.09941	1.5
144.01976	0.6
144.04755	4.2
144.96794	1.2
148.11159	0.7
149.02730	1.0
150.07732	0.8
153.00696	1.0
157.97868	0.7
162.97842	0.7
165.02206	1.6
167.03772	1.9
176.03824	19.5
177.02264	1.0
178.05386	32.1
181.01706	0.9
183.03282	6.2
184.09610	0.7
186.02177	0.9
192.03302	2.4
194.04884	6.6
196.06453	21.4
201.04359	6.3
202.10742	1.7
204.03291	8.5
204.86836	0.6
208.02808	4.6
210.04424	1.3
218.11707	0.8
218.15421	1.0
219.03282	0.6
219.05426	0.6
222.04362	89.6
223.04558	1.7
226.03828	2.3
240.05421	72.2
241.05647	1.7
245.05890	1.5
255.94170	0.7
263.17477	3.0
264.05429	19.5
264.12338	4.3
264.17822	2.2
282.52957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.123
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
55.01862	0.4
55.05502	0.4
56.05027	0.4
57.03408	0.4
65.03950	0.3
65.30530	0.2
67.05505	0.6
69.03414	0.6
70.06574	0.3
70.71387	0.4
71.04965	0.3
72.08139	0.9
73.02924	0.7
79.05479	0.4
81.07007	0.3
85.02901	3.7
91.05451	1.1
93.07030	1.2
95.04945	0.8
95.08598	0.6
99.00808	0.7
103.05458	1.2
105.07042	1.6
107.08565	0.5
108.29543	0.3
109.06522	0.4
110.06049	0.4
111.04401	0.5
113.06008	0.4
117.07018	0.3
118.06506	0.8
118.08630	0.2
119.08559	1.5
119.72896	0.3
120.08102	14.1
121.06521	0.6
122.07132	2.0
128.06140	0.3
129.06976	0.7
131.03375	0.3
131.08545	0.7
132.08073	2.3
133.06500	0.3
133.08875	2.8
133.10013	0.6
134.09648	5.9
135.08057	1.0
144.04758	0.6
145.06534	0.5
145.10109	0.5
146.09561	0.6
147.08011	0.6
148.11206	18.4
153.07069	0.3
157.10110	0.4
158.09590	0.7
159.08018	0.4
159.10443	0.4
159.11685	0.5
160.11165	0.4
161.09692	0.6
161.11998	0.9
173.09651	0.4
174.12779	13.6
175.07530	1.3
175.11203	0.5
177.05513	0.3
183.11710	0.3
187.11201	0.8
189.12784	0.4
189.15178	0.3
193.08676	0.3
201.12767	1.0
202.08556	0.3
203.09155	0.4
203.10811	0.6
204.10165	3.4
205.10909	1.6
217.12210	0.3
218.11755	13.0
218.15118	0.5
219.15030	0.4
220.13315	8.0
220.15453	0.4
221.13727	0.3
229.12233	0.5
246.11246	3.1
247.13260	0.8
248.09160	0.6
249.09985	0.3
264.12299	100.0
265.12408	2.3
265.15082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09780	1.2
55.05508	4.1
60.04524	88.0
67.05504	6.2
69.07062	8.7
69.33559	8.5
71.65259	1.3
79.05494	5.2
81.04552	1.5
81.07053	39.3
83.08603	1.9
91.05463	2.5
93.07045	30.2
94.01062	1.4
95.08606	16.2
96.08949	1.4
97.10205	3.3
104.99281	2.7
107.08585	16.4
109.10149	14.4
109.34197	1.2
121.10141	100.0
122.07127	3.6
123.11705	6.9
135.11717	7.3
149.13261	29.5
150.64171	1.5
163.14774	2.8
205.19504	38.0
206.22057	1.4
264.23233	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	264.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
60.04523	100.0
67.05502	4.9
68.58619	1.5
69.07066	5.9
69.91202	5.0
79.05505	5.1
81.07056	35.8
83.08632	1.9
91.05489	2.3
91.81612	1.5
93.07040	22.2
95.08614	14.6
97.10182	1.8
104.99306	2.5
105.07088	2.4
105.99632	1.8
106.61958	1.4
107.08592	12.4
109.10125	13.2
111.11686	1.7
116.42907	1.6
121.10141	92.4
122.07163	4.8
123.11696	5.6
135.11700	10.7
149.13240	26.0
203.02910	1.4
205.19513	35.9
264.23257	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.0
55.05513	1.8
58.06611	2.5
61.02919	3.7
67.05502	4.8
68.99796	2.1
69.03421	7.1
71.01352	4.2
71.42506	1.7
73.02935	1.8
74.92700	1.5
79.05486	4.9
79.57911	1.8
81.03436	2.1
81.04553	3.1
81.07075	5.3
84.04511	6.5
84.50449	1.5
85.02911	4.4
91.05471	22.7
93.07040	5.8
95.04988	4.4
95.08615	6.8
97.02887	47.4
97.92451	1.5
102.36430	1.4
103.03934	3.7
103.05479	5.2
105.07018	19.9
107.04948	7.7
109.06541	4.2
115.05450	13.4
116.06243	5.1
117.07033	13.1
118.06528	3.4
119.04956	3.6
119.08574	4.8
120.05818	1.9
120.08116	19.4
121.06499	23.5
122.07133	28.5
128.06213	27.6
129.06993	25.7
130.04970	4.7
131.04898	9.1
131.08565	24.4
132.05634	1.8
133.06483	31.8
136.07573	9.1
136.15842	2.0
141.06992	17.7
143.08554	14.7
144.04736	6.2
144.05716	15.8
145.06479	24.1
145.07578	2.0
145.10071	1.9
147.04395	3.1
147.08051	16.0
149.05972	4.2
149.11568	3.9
151.07532	100.0
152.06197	2.2
152.07896	2.3
153.06944	10.9
154.07828	1.9
155.06044	5.2
155.08551	16.0
157.06483	43.8
158.07271	14.8
159.08052	57.0
161.05949	4.2
161.09622	4.5
165.05469	6.9
165.07001	5.2
168.05667	3.8
169.06444	8.5
170.07184	1.7
171.04424	3.9
171.08038	39.2
171.09438	3.1
173.05939	2.4
173.09669	3.0
175.07538	74.6
175.13100	2.8
179.07034	2.5
181.06458	3.7
183.08043	13.2
185.05965	14.5
186.06747	8.8
187.07529	45.7
187.09221	2.2
189.09190	4.4
199.07516	35.6
201.09077	14.7
202.08603	2.5
203.06993	10.0
205.08569	9.3
211.07544	5.8
217.08586	96.1
218.08949	4.6
219.11949	1.8
221.13535	1.8
229.08588	53.5
235.09622	78.8
236.09959	2.1
247.09621	55.0
248.09290	3.1
265.06540	1.8
265.10602	13.8
265.12631	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	265.1069
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
51.19215	3.7
54.78542	3.7
55.01876	24.8
55.05500	6.1
57.03414	11.1
57.52534	3.9
58.52961	3.6
58.94646	3.9
61.02918	9.9
65.03926	6.1
67.05486	19.5
67.89887	4.4
69.03426	57.7
69.48714	15.4
71.01338	12.8
73.02906	7.4
77.03922	4.8
79.05494	37.6
81.03407	10.8
81.04525	5.8
81.07060	35.6
83.04969	8.2
85.02885	32.5
91.04936	7.6
91.05473	86.8
93.07042	50.1
95.01338	4.6
95.04945	15.8
95.08602	29.9
97.02889	42.2
101.02367	6.7
103.05460	10.0
105.07021	100.0
107.04962	10.7
107.08573	27.1
109.06481	11.5
111.04466	8.5
113.02348	8.2
115.05431	17.6
116.06233	5.3
117.07014	44.4
119.04930	9.5
119.08578	47.8
121.06508	25.7
122.07158	24.9
123.04431	5.5
123.08033	15.6
125.02329	14.9
127.03856	6.7
128.06197	27.4
129.07005	41.0
130.07745	5.6
131.04918	13.8
131.08562	54.0
133.06477	74.5
135.04411	7.0
135.08055	24.1
141.06953	9.5
142.07767	4.5
143.03365	11.4
143.08536	18.5
144.04738	5.2
145.06444	26.8
145.10147	22.4
146.07178	4.9
147.04375	8.3
147.08037	55.5
149.06009	10.2
149.09599	8.2
151.03867	5.2
151.07512	11.9
153.06998	7.7
155.08501	21.4
157.06454	18.8
158.07240	6.9
159.08038	33.5
161.05972	10.2
161.09665	8.4
163.03885	5.2
163.07568	13.5
171.02882	9.9
171.08051	18.7
173.05983	10.6
173.09613	32.7
173.22798	4.2
175.07498	28.4
177.05476	6.2
177.09097	15.2
183.08038	18.4
185.05988	6.4
187.07518	16.7
189.09035	12.0
191.07114	6.1
199.07501	9.5
201.09097	38.2
203.07034	9.6
205.08560	15.3
217.08623	7.6
219.10057	22.8
221.08101	6.8
224.29216	4.4
229.08534	19.9
237.11076	7.4
247.09641	64.6
265.10669	80.9
288.78726	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	265.107
Annotation	Scytalol D
Peak:m/z	Relative Intensity
55.01867	10.0
55.05513	1.8
58.06611	2.5
61.02919	3.7
67.05502	4.8
68.99796	2.1
69.03421	7.1
71.01352	4.2
71.42506	1.7
73.02935	1.8
74.92700	1.5
79.05486	4.9
79.57911	1.8
81.03436	2.1
81.04553	3.1
81.07075	5.3
84.04511	6.5
84.50449	1.5
85.02911	4.4
91.05471	22.7
93.07040	5.8
95.04988	4.4
95.08615	6.8
97.02887	47.4
97.92451	1.5
102.36430	1.4
103.03934	3.7
103.05479	5.2
105.07018	19.9
107.04948	7.7
109.06541	4.2
115.05450	13.4
116.06243	5.1
117.07033	13.1
118.06528	3.4
119.04956	3.6
119.08574	4.8
120.05818	1.9
120.08116	19.4
121.06499	23.5
122.07133	28.5
128.06213	27.6
129.06993	25.7
130.04970	4.7
131.04898	9.1
131.08565	24.4
132.05634	1.8
133.06483	31.8
136.07573	9.1
136.15842	2.0
141.06992	17.7
143.08554	14.7
144.04736	6.2
144.05716	15.8
145.06479	24.1
145.07578	2.0
145.10071	1.9
147.04395	3.1
147.08051	16.0
149.05972	4.2
149.11568	3.9
151.07532	100.0
152.06197	2.2
152.07896	2.3
153.06944	10.9
154.07828	1.9
155.06044	5.2
155.08551	16.0
157.06483	43.8
158.07271	14.8
159.08052	57.0
161.05949	4.2
161.09622	4.5
165.05469	6.9
165.07001	5.2
168.05667	3.8
169.06444	8.5
170.07184	1.7
171.04424	3.9
171.08038	39.2
171.09438	3.1
173.05939	2.4
173.09669	3.0
175.07538	74.6
175.13100	2.8
179.07034	2.5
181.06458	3.7
183.08043	13.2
185.05965	14.5
186.06747	8.8
187.07529	45.7
187.09221	2.2
189.09190	4.4
199.07516	35.6
201.09077	14.7
202.08603	2.5
203.06993	10.0
205.08569	9.3
211.07544	5.8
217.08586	96.1
218.08949	4.6
219.11949	1.8
221.13535	1.8
229.08588	53.5
235.09622	78.8
236.09959	2.1
247.09621	55.0
248.09290	3.1
265.06540	1.8
265.10602	13.8
265.12631	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	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
53.03946	4.6
55.01869	6.3
55.05518	11.6
56.05035	9.7
63.00730	6.9
63.74307	2.2
65.03929	5.3
67.05501	19.5
67.28234	2.5
69.03431	21.6
69.07076	3.2
70.06617	2.4
71.04991	5.1
72.08135	6.3
79.05502	17.6
81.04543	8.9
81.07035	12.0
83.04980	6.7
85.02881	3.8
86.09689	2.4
89.03921	2.8
91.05475	33.6
93.03371	5.8
93.07044	23.5
95.04964	36.2
95.08613	16.5
97.06537	4.8
99.04484	3.6
103.05488	7.7
105.04511	2.3
105.07024	49.0
106.04884	10.8
107.04961	4.5
107.08612	11.8
109.06516	21.6
109.10148	6.4
111.04440	16.5
111.08103	5.6
113.05997	10.3
114.10211	2.2
115.05464	4.9
116.06264	3.5
117.03380	5.9
117.07027	10.4
118.08672	2.9
119.04929	2.8
119.08569	54.4
120.08099	100.0
121.02869	11.1
121.06491	31.0
121.10151	9.9
122.07152	74.7
123.08068	16.3
128.06226	6.2
129.06990	10.3
130.07793	4.3
131.04901	4.5
131.08571	25.8
132.05698	3.2
133.06464	5.1
133.10143	10.2
134.03651	3.6
135.08051	48.0
137.05923	2.9
137.09595	10.0
137.95125	2.3
139.03900	7.4
139.07541	4.8
141.07011	7.7
142.07785	7.8
143.08580	9.6
144.04773	20.0
144.05763	3.3
144.09317	7.9
145.02843	12.9
145.06497	10.2
145.10097	21.8
146.07190	3.6
147.04436	4.6
147.08064	25.2
147.11664	11.9
149.06010	6.7
149.09639	6.7
151.07559	4.3
153.09122	3.1
155.08566	6.6
156.09320	4.2
157.06528	2.8
157.10127	15.3
158.07245	12.7
158.10851	5.0
159.08043	27.7
159.11676	27.6
160.08803	3.8
161.09595	29.6
161.13245	3.1
163.03931	4.7
163.07480	3.6
165.09081	24.0
168.09349	4.6
169.10100	5.0
171.08057	4.2
171.11642	4.6
172.08847	15.3
173.09596	13.7
173.13258	13.8
174.06874	3.5
175.07529	48.5
175.11166	24.0
177.05460	30.0
177.09090	3.2
179.07054	2.4
183.11682	8.4
185.09593	5.0
186.10414	4.7
187.11168	26.8
189.09099	9.3
189.12775	9.7
191.07069	2.6
193.08611	13.1
193.10136	3.1
196.08917	3.9
199.11076	11.5
201.12717	27.3
203.10683	26.7
205.12270	5.4
207.10245	2.5
211.11140	16.3
217.12167	16.6
219.13678	5.1
229.12149	18.3
235.13194	4.0
238.50713	2.3
247.13208	30.0
265.06705	2.6
265.14252	36.5
265.19275	3.4
266.14108	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
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
51.67102	3.7
53.73417	3.4
55.01875	3.6
55.05517	10.9
65.03953	10.4
67.05515	25.7
69.03416	35.4
69.07067	4.7
70.78123	4.9
71.05013	5.4
79.05491	17.4
81.04517	4.0
81.07066	20.2
83.04993	9.5
85.00938	4.0
91.05473	61.2
93.03430	6.3
93.07037	43.7
95.04967	38.6
95.08611	17.7
97.06509	8.4
103.05412	8.9
105.07027	77.2
107.04936	4.9
107.08605	26.0
109.06511	37.8
109.10172	11.0
111.04441	36.6
111.08115	8.5
113.05978	18.2
115.05441	12.5
117.07018	15.7
119.08572	100.0
120.08102	81.2
121.02898	12.1
121.06499	45.8
121.10123	19.5
122.07177	25.0
123.08070	28.0
128.06235	10.9
129.06967	19.6
130.07802	6.4
131.08556	39.4
133.06480	15.7
133.10156	15.7
135.08049	78.6
137.09645	16.4
137.10638	3.7
137.25948	3.4
139.03903	8.6
139.07544	8.8
141.07005	12.0
142.07780	12.9
143.08531	21.2
144.04752	5.1
144.05774	6.0
144.09363	8.6
145.06480	14.8
145.10135	30.6
147.08054	46.1
147.11693	13.5
147.26576	4.3
149.05981	5.4
149.09581	17.8
151.07602	5.4
153.09267	5.3
155.08582	10.6
156.09380	5.0
157.10107	23.9
158.07271	24.8
158.10928	5.0
159.08061	41.4
159.11681	41.2
160.08806	8.4
161.09618	40.5
161.13261	5.8
165.09116	34.2
168.09430	9.5
169.10072	5.0
171.08060	5.1
171.11693	8.9
172.08867	22.2
173.09589	21.4
173.13237	18.2
175.07542	81.8
175.11156	30.9
183.11710	10.4
185.09671	7.9
186.10413	7.8
187.11186	45.7
189.09131	6.3
189.12781	15.9
193.08586	19.9
196.08871	9.4
199.11205	15.9
201.12724	30.7
203.10693	48.8
205.12285	6.3
211.11255	19.6
217.12224	26.8
219.13853	10.6
225.52795	3.9
229.12218	21.1
247.13284	46.9
265.13159	29.2
265.14056	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	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03935	0.3
53.99967	0.3
55.05508	12.4
56.05046	0.7
57.05812	1.1
58.73965	0.2
63.97490	0.3
70.03288	0.8
72.08151	100.0
73.08472	0.7
79.05526	0.3
81.04534	1.0
93.07034	0.3
97.02929	0.3
103.05459	0.6
105.07011	0.4
120.08098	16.8
121.08338	0.4
122.07150	6.0
122.07992	0.4
127.46555	0.3
131.04961	0.5
133.06422	0.3
134.03651	0.5
136.06174	0.6
144.04773	1.4
145.02888	0.7
146.81299	0.3
149.05988	0.4
149.42014	0.3
151.07584	0.4
159.08073	0.5
163.03830	0.3
166.08638	11.3
171.08066	0.6
175.07581	0.7
177.05536	1.0
217.08640	0.9
219.14998	0.7
229.15405	0.3
235.09851	0.4
240.93512	0.3
265.10889	0.4
265.15393	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	265.1798
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	7.3
55.05503	19.2
55.47670	2.1
56.59725	2.0
57.03437	26.1
57.07077	3.6
65.03924	2.2
67.05162	3.6
67.05502	45.2
69.03424	15.6
69.07061	29.8
69.27145	13.1
71.04982	11.8
79.05491	35.4
81.03399	4.5
81.04521	3.5
81.07056	100.0
82.42433	2.1
83.04973	21.9
83.08614	8.1
85.02901	8.8
85.06545	18.8
91.05476	32.0
93.06447	3.9
93.07043	80.4
95.04960	17.3
95.08604	96.9
97.06532	22.7
97.10167	5.1
99.04447	8.6
99.08105	10.4
101.06016	2.4
105.04465	2.7
105.07034	58.9
107.04963	3.7
107.08592	61.2
109.06519	34.7
109.10148	55.4
111.08086	18.2
113.05995	5.1
117.06996	9.2
119.08581	38.7
121.06505	18.7
121.10135	44.6
122.07146	23.8
123.08061	24.1
123.11708	20.4
125.05982	13.8
125.09649	7.5
127.07563	11.5
129.05556	2.6
129.07005	3.1
131.08571	22.1
133.06551	3.0
133.10132	34.5
135.08055	11.0
135.11691	13.5
137.05951	5.7
137.09604	25.4
139.07532	22.3
139.11148	7.1
139.30411	2.1
142.07776	2.9
143.07034	6.4
143.08580	4.7
144.04799	4.8
145.06479	2.4
145.10109	25.0
147.08066	6.3
147.11673	34.1
148.11897	2.4
149.05957	6.9
149.09610	10.0
149.12106	3.3
149.13257	46.4
151.07538	6.0
151.11159	10.2
153.09079	4.4
155.08578	2.6
157.08684	4.7
157.10107	7.2
159.08072	4.2
159.11696	19.2
161.05986	2.6
161.09636	4.1
161.13289	9.1
163.11226	6.2
163.14778	5.4
165.09082	2.8
165.12790	4.1
167.06982	2.3
169.08667	2.6
169.10037	5.2
171.11670	5.8
173.09619	7.9
173.13269	16.0
175.11081	10.1
175.14752	4.0
176.07054	34.4
177.09106	5.8
177.12808	4.6
177.16374	25.3
179.10739	2.1
183.11667	3.5
185.13281	4.9
187.14835	24.8
188.07129	5.2
189.12717	5.7
191.10637	5.4
191.14310	13.0
191.51576	2.3
195.17429	11.7
201.12764	6.5
201.16379	12.9
203.17934	12.4
205.04929	2.0
205.15883	21.4
206.08136	35.3
209.15436	4.6
211.14818	9.2
219.13785	4.3
219.17438	8.4
220.09702	5.3
223.16940	10.4
229.12236	4.1
229.15845	22.8
247.13338	6.6
247.16910	35.8
248.09174	65.9
265.04623	3.4
265.12064	19.7
265.14496	10.6
265.17996	56.3
266.18494	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	265.1797
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
51.78401	2.6
52.90316	2.6
53.03954	2.7
54.71286	2.9
55.01851	6.3
55.05505	22.3
57.03218	3.0
57.03435	30.4
57.07064	6.8
57.15739	2.9
61.49929	2.8
63.58796	3.1
66.78999	3.0
67.05506	43.2
69.03426	15.1
69.07072	24.5
71.04995	10.3
72.49744	3.1
79.05489	40.4
81.07052	99.9
83.04970	21.7
83.08594	11.1
85.02888	6.4
85.06551	15.1
91.05479	31.3
93.07040	89.9
95.04967	20.7
95.08599	100.0
97.02863	3.6
97.06538	20.9
97.10152	3.5
99.04461	7.3
99.08068	8.3
105.04498	3.4
105.07021	58.3
107.07915	5.6
107.08588	61.9
109.06524	31.6
109.10155	55.2
111.08070	18.8
113.06009	4.5
113.09631	5.4
115.05416	2.9
117.07006	6.5
119.08570	33.8
121.06484	16.2
121.10136	52.9
122.07163	22.8
123.08065	26.8
123.11702	19.5
125.05965	15.0
125.09648	8.2
127.07535	7.2
131.08559	21.7
133.06496	3.4
133.10118	32.3
135.08052	12.8
135.11658	19.4
137.05978	5.0
137.09596	22.7
137.13214	4.5
139.07533	25.7
139.11169	6.1
141.09192	2.9
142.07803	4.0
143.07051	3.5
143.08534	4.4
144.04776	3.0
145.10127	27.8
147.08064	6.3
147.11679	39.0
149.05974	7.6
149.09596	12.8
149.13254	43.3
151.07532	7.0
151.11157	12.5
153.09076	5.4
157.08551	4.0
157.10138	6.9
159.08107	3.8
159.11700	18.9
161.05977	3.2
161.09662	3.0
161.13245	8.4
163.11192	4.7
163.14764	5.0
165.09090	3.2
165.12724	4.1
167.07036	3.8
169.08669	3.2
169.10121	5.1
171.11685	4.9
173.09564	7.7
173.13197	9.5
174.32387	2.9
175.11121	14.1
176.07051	35.3
176.74574	3.3
177.12794	4.8
177.16353	27.2
187.11227	4.7
187.14792	22.8
189.12677	5.7
191.10667	5.4
191.14304	11.4
195.17442	9.8
201.12720	4.6
201.16370	9.0
203.17935	11.8
205.12239	3.2
205.15842	20.4
206.08124	36.1
209.15353	4.2
211.14784	12.2
219.13724	4.6
219.17410	6.4
220.09599	5.8
221.19029	4.5
223.16876	10.8
229.12152	5.0
229.15805	23.9
247.09549	4.1
247.13239	6.5
247.16957	32.4
248.09172	73.1
265.11960	24.0
265.14484	12.0
265.17950	55.7
265.20660	5.6
268.00677	3.6
273.36966	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	266.1022
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.76759	0.2
53.03946	0.6
55.01887	0.2
59.12058	0.2
59.88156	0.2
69.19563	1.4
77.03904	1.2
84.04488	0.5
91.05479	6.1
93.06448	0.6
93.07036	10.8
95.04963	1.6
103.05466	6.6
105.04504	1.0
121.06496	100.0
122.06806	2.0
138.09058	0.3
146.05948	0.4
202.08614	21.3
203.09050	0.7
204.10208	0.6
248.09178	7.6
250.10841	0.3
266.10297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1023
Annotation	CAY10487
Peak:m/z	Relative Intensity
53.29428	0.2
58.06598	0.3
63.02362	0.5
69.03418	0.3
69.43967	0.5
69.44358	0.4
76.92527	0.2
79.05493	1.2
86.06059	2.9
87.04462	3.1
89.03911	6.4
89.04459	0.3
95.04970	0.3
96.40190	0.2
98.23529	0.2
104.07101	9.0
105.07004	0.3
107.04960	2.2
117.03375	9.2
121.06511	0.6
123.08100	0.3
135.04407	18.6
136.04773	0.3
145.02837	14.3
151.03839	0.3
151.07547	0.3
163.03891	100.0
164.04221	1.9
181.17799	0.2
186.13597	0.2
189.05370	0.3
251.81200	0.2
266.10245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06565	0.4
61.73078	0.2
63.02385	0.3
69.03432	0.6
79.05489	1.3
81.07070	0.4
82.52798	0.2
85.02900	0.6
86.06058	3.1
87.04454	2.9
89.03914	6.6
91.05459	0.4
95.04939	0.4
95.08638	0.3
102.82970	0.3
104.07099	9.8
105.04517	0.3
107.04945	2.6
117.03370	11.6
118.92963	0.3
121.06487	1.3
122.07201	0.3
123.08076	0.5
135.04407	22.7
135.10284	0.2
136.04674	0.4
145.02840	15.1
151.03889	0.5
151.07538	0.4
163.03889	100.0
164.04272	1.8
202.08873	0.2
248.09227	0.3
266.10184	0.9
266.13791	0.4
266.17761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
58.06610	0.5
60.07867	0.4
60.08160	5.8
60.69214	0.2
61.02911	0.5
69.03441	0.8
69.92471	0.6
71.01366	0.4
73.02915	1.4
81.03407	0.4
85.02906	1.6
87.04461	1.7
87.78903	0.2
91.03967	0.5
97.02892	0.7
98.22771	0.2
99.04442	0.9
101.02370	0.7
103.03961	0.3
104.10735	100.0
105.11076	0.8
109.02881	0.2
127.03916	0.8
129.05469	0.4
171.06589	0.2
172.85698	0.2
248.11275	0.4
266.15958	84.1
267.16287	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48080	0.2
55.05505	0.5
55.68455	0.2
57.03430	0.3
57.46027	0.2
59.05007	1.0
59.70546	0.2
61.02921	1.4
62.85470	0.2
63.73144	0.2
67.05478	0.2
71.04991	2.0
71.13038	0.3
71.15258	0.2
73.29575	0.2
79.05492	0.6
81.06620	0.3
81.07053	3.5
84.04495	0.2
85.63380	0.2
94.04044	1.2
105.63035	0.2
113.09644	0.3
119.03555	2.5
120.03880	0.2
123.08123	0.2
136.06177	100.0
136.20828	0.2
137.04599	1.4
137.06497	0.9
150.07750	0.3
155.48041	0.2
159.97043	0.2
182.17249	0.2
234.13475	18.8
235.13701	0.4
266.16095	47.5
267.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	Goniothalesdiol A
Peak:m/z	Relative Intensity
53.03933	5.2
55.01871	9.8
55.05501	3.8
57.03438	17.6
61.02913	6.0
65.03934	2.1
67.05503	16.7
69.03426	33.8
69.99712	3.3
71.01344	5.0
71.04971	4.2
73.02914	6.8
77.03928	2.0
79.05495	16.1
81.02955	2.0
81.03416	22.6
81.07056	64.1
83.04974	5.2
85.02901	24.2
85.13560	1.2
87.04438	1.9
91.04940	1.9
91.05473	24.6
93.07041	37.9
95.04965	7.1
95.08604	39.9
97.02883	16.3
97.06525	1.2
98.22749	1.3
99.04474	6.3
103.03907	2.5
103.05445	2.1
105.04491	2.3
105.07028	32.6
107.04936	4.4
107.08591	14.9
109.02863	4.8
109.06522	3.4
111.04443	3.7
115.03929	3.5
115.05449	3.4
116.06143	2.0
117.07012	8.5
118.90504	1.1
119.04935	1.9
119.08587	13.9
121.06505	14.2
123.04434	1.5
123.08061	100.0
127.03916	14.3
128.06226	3.9
129.05481	2.1
129.07007	6.3
131.04944	1.6
131.08560	15.5
133.04956	3.2
133.06473	11.6
133.10162	2.9
135.08047	11.7
142.07761	4.4
143.08556	6.4
144.05705	1.5
145.04982	2.7
145.06461	4.7
145.10130	2.6
147.08040	12.9
149.05940	2.6
149.09573	2.0
152.06213	1.6
155.06140	1.3
155.08527	1.5
157.10092	4.5
159.08035	10.5
161.09598	5.4
163.07462	1.9
167.08478	3.4
171.08054	3.4
173.09563	2.6
175.11234	1.6
177.09052	3.9
185.09610	9.6
187.06010	2.2
189.09129	8.1
201.09067	4.0
203.10660	5.0
207.10104	1.8
213.09044	3.5
219.10104	1.3
221.11729	1.8
231.10143	4.6
249.11186	10.6
267.12247	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.05019	1.3
58.06587	0.4
59.64722	0.3
67.91506	0.3
69.27130	2.0
77.03905	0.4
79.68327	0.3
84.04497	27.1
84.08157	0.3
85.02880	0.6
91.05466	2.4
93.07037	5.8
93.51551	0.4
94.07323	0.5
95.04974	0.9
101.00862	1.0
102.05559	0.8
103.05455	3.0
116.10711	1.3
119.01910	2.5
121.06493	100.0
122.06828	3.3
124.02483	0.4
130.04991	12.4
136.06175	8.6
137.02852	0.6
138.05521	0.8
138.09126	13.9
142.03481	3.2
150.05519	0.8
160.04547	2.3
166.03448	2.1
177.00941	0.4
178.01038	0.9
184.04538	16.1
187.05611	0.4
202.05582	6.1
202.09145	1.7
203.05876	0.4
203.09013	0.6
219.01965	1.4
220.02097	1.2
221.01799	0.8
221.12839	4.9
222.00114	2.4
226.09245	1.3
240.01190	1.2
244.02217	0.4
244.10298	2.2
249.01482	0.4
249.07036	0.5
250.10736	13.6
251.11073	0.5
262.03119	2.2
263.02911	0.9
267.02234	3.7
267.08295	0.4
267.11127	0.4
267.13501	7.2
268.10260	0.8
285.07596	0.4
286.01740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.05030	1.1
57.38789	0.3
59.18895	0.3
60.72818	0.3
67.95869	0.3
69.59101	1.2
77.03925	0.6
84.04503	25.7
85.02896	0.5
91.05483	2.7
93.07049	5.9
95.04961	1.1
102.05547	0.8
103.05459	3.8
106.23643	0.3
111.05822	0.3
121.06503	100.0
122.06879	1.9
130.05000	13.7
134.15388	0.3
138.09142	13.6
139.09387	0.3
154.38495	0.3
204.10187	0.4
221.12827	3.5
250.10751	11.5
267.13394	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	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.58893	0.3
55.01854	0.3
56.05019	1.0
58.06607	0.3
70.84016	0.5
76.82838	0.3
77.03946	0.3
79.05496	0.4
84.04499	23.8
85.02909	1.9
91.05472	2.9
93.07041	5.2
95.04955	0.9
99.98201	0.3
102.05520	1.0
103.05457	3.2
104.37811	0.3
105.04509	0.4
121.06496	100.0
122.06866	1.2
130.04994	13.6
136.06203	0.6
138.09131	15.9
170.26385	0.3
204.10153	0.5
221.12839	4.9
222.11292	1.6
250.10727	12.4
251.11058	0.5
267.13422	7.8
267.16849	0.4
268.11502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.06239	0.1
55.01867	0.4
55.79585	0.1
57.03425	0.6
57.58752	0.1
69.03413	0.2
69.33027	0.2
69.48374	0.7
71.01376	0.2
73.02914	0.3
85.02901	0.4
85.32296	0.2
87.96868	0.1
88.90801	0.1
94.04044	0.4
119.03550	0.9
136.06178	100.0
137.04553	0.5
137.05614	0.2
137.06523	0.5
261.75668	0.2
268.10403	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	268.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
65.03920	0.4
69.10077	2.3
74.00661	1.1
77.03921	0.5
82.27795	0.4
84.04509	0.5
85.02900	17.4
91.05475	2.4
93.07041	5.5
95.04961	1.4
103.05478	2.9
105.04525	0.6
121.06499	100.0
122.06821	2.8
130.05017	0.7
131.03400	0.6
136.06198	1.2
138.09132	20.2
143.14030	0.3
176.07047	0.4
204.10167	3.2
222.11238	25.6
223.11472	0.6
250.10837	0.5
268.11768	7.6
269.02762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1178
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
57.03436	1.5
69.08393	1.8
77.03910	0.6
85.02898	16.0
91.05468	3.0
93.07037	5.9
95.04951	1.0
103.05455	3.7
103.11513	0.3
105.04498	0.6
121.06493	100.0
122.06837	1.5
130.04958	0.5
131.03416	0.7
136.06226	0.4
138.09125	19.2
164.66232	0.3
182.05742	3.3
204.10178	3.0
210.05254	5.2
222.11229	24.5
223.11566	0.5
233.72446	0.3
242.02242	0.3
250.10803	0.3
268.11780	6.6
269.12555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03939	2.3
53.76331	1.0
55.01866	11.9
55.05500	3.8
57.03438	12.5
57.07046	1.4
60.41669	0.9
65.03936	1.8
67.05492	10.6
68.99802	6.0
69.03429	1.5
69.07063	2.8
69.25792	5.1
73.02914	1.6
77.03934	1.0
79.05492	22.9
81.03407	3.8
81.07050	20.9
83.01334	3.5
83.04976	8.9
85.02893	1.7
85.06504	1.2
87.04473	1.3
91.05473	30.6
93.03396	1.1
93.07043	10.4
95.01349	1.0
95.04954	11.8
95.08611	3.3
97.02907	1.1
97.06538	2.2
103.05473	5.4
105.03415	1.9
105.04477	2.2
105.07033	9.6
105.85703	0.9
107.04944	13.9
107.08588	7.6
109.02884	3.9
109.06515	19.6
109.10181	2.2
111.04430	1.7
111.08102	1.6
112.45883	0.9
115.05445	8.2
117.07010	14.4
119.04949	8.3
119.05682	1.0
119.06120	1.2
119.08600	2.7
121.02875	2.3
121.06507	10.0
121.10174	1.3
123.04421	3.4
123.08047	1.6
125.05971	4.1
127.03890	2.0
131.04903	2.7
131.08508	1.0
133.06496	5.5
133.10152	1.3
135.04411	8.9
135.08090	5.8
137.02292	1.9
137.05957	22.8
139.00247	4.0
145.06508	8.0
145.10165	1.5
147.04420	2.8
147.08002	2.1
149.05960	11.3
149.13240	1.1
151.07527	2.3
153.05484	3.3
159.11624	1.4
161.06003	3.8
163.03856	4.7
163.07527	32.1
165.01849	1.3
165.05466	6.7
167.07014	1.6
167.25751	0.9
173.05948	5.8
175.03902	1.1
177.05447	14.1
177.12627	0.9
178.78036	1.0
179.07068	2.8
181.05045	1.1
181.08556	1.2
189.05458	2.9
191.07021	71.6
195.06532	2.8
201.05420	6.7
207.06474	1.6
209.08075	15.2
219.06519	54.4
220.06856	1.6
237.05394	1.8
237.07570	19.0
241.05019	8.9
251.09138	100.0
252.09355	2.1
255.08632	49.7
256.08920	1.6
269.04459	9.0
269.10239	7.8
269.17670	1.3
270.04822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.0
68.99796	0.9
70.31248	1.3
70.31567	2.2
71.08604	1.1
78.39519	0.9
79.05495	1.1
80.49541	0.9
81.07050	1.5
92.38776	1.0
104.99257	3.7
106.20248	1.1
126.19662	0.8
131.08614	1.1
139.00240	2.3
140.20369	1.0
143.07219	0.9
143.08656	1.1
159.95749	0.9
165.01805	1.3
167.16827	1.0
177.22853	0.9
206.30670	1.1
241.04936	2.7
251.10402	7.4
268.22482	4.7
269.04599	2.2
269.11465	100.0
269.22745	4.0
270.11844	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	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96065	10.6
67.05495	28.5
68.54314	8.6
69.07082	24.5
69.73914	11.3
70.06607	11.7
79.05493	32.0
81.07056	30.6
83.04993	16.8
85.06535	26.3
91.05489	18.7
93.07033	35.1
95.04955	15.8
95.08597	32.5
97.06522	28.0
105.07022	26.7
107.08544	16.4
109.06479	11.3
116.07070	14.4
117.06985	9.8
119.08550	23.4
121.06508	27.2
121.10170	13.3
125.05974	20.9
133.06444	17.4
133.10043	9.3
145.10086	48.3
148.57196	10.7
157.10127	10.3
163.11162	100.0
173.09587	31.9
187.11081	13.2
191.10707	28.5
205.12378	11.2
215.10651	18.8
229.38124	10.5
233.11668	11.6
237.63559	9.7
241.05016	22.8
269.08212	15.6
289.34183	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03938	3.2
55.01865	5.7
55.05507	23.3
57.03432	28.4
57.07070	3.3
65.03935	3.6
67.05499	74.9
69.03400	1.9
69.07064	32.7
69.23609	7.1
71.04987	6.1
71.08643	1.8
73.02921	1.2
77.03925	1.5
79.05488	42.0
79.05952	2.3
81.03416	10.0
81.07050	100.0
83.04974	9.8
83.08607	21.1
85.06565	6.1
85.07010	1.0
91.05472	28.3
93.07036	61.1
95.04964	15.2
95.08601	28.6
97.06526	15.7
97.10175	2.6
97.50519	1.0
98.23428	2.8
99.08080	4.5
104.99319	1.9
105.04511	2.2
105.07026	15.7
107.04950	1.6
107.08584	34.4
109.06516	12.5
109.10139	8.0
111.08082	7.5
111.80282	1.1
113.09642	1.7
115.05440	1.9
117.07000	12.8
119.04932	1.5
119.08558	16.6
121.06504	4.7
121.10138	20.3
123.03544	1.3
123.08055	2.8
123.11696	5.8
125.09614	1.5
127.07598	1.2
128.06226	2.3
129.06992	3.6
131.04933	5.3
131.08549	15.0
133.06476	2.8
133.10120	19.8
135.08035	4.2
135.11687	16.2
141.07005	2.1
142.07759	3.0
143.08551	9.3
144.09262	1.4
145.06462	6.9
145.10075	7.2
147.08040	3.9
147.11696	4.2
149.09584	1.9
149.13249	36.5
149.14447	1.8
151.11201	1.2
155.08542	4.6
156.09358	4.1
157.06496	4.4
157.10124	11.0
158.10800	1.2
159.08054	3.5
159.11691	22.5
161.09624	8.9
161.13254	3.3
166.07747	1.4
167.08562	3.2
168.41663	1.1
169.10127	5.0
170.07330	1.5
170.10893	2.5
171.08012	6.3
171.11656	8.2
172.12476	1.4
173.09596	2.8
173.13232	6.2
175.14824	15.0
177.12740	10.7
179.08533	3.2
180.09322	1.5
181.10144	4.4
182.10826	1.4
183.08049	4.6
183.11652	5.4
184.08891	1.8
185.09615	16.3
185.13168	6.4
187.11198	3.8
187.14777	11.9
188.15578	2.7
193.10249	2.0
195.11691	6.8
195.13794	13.6
196.12413	1.7
197.09668	1.4
197.13260	5.1
199.11169	26.7
199.14842	1.8
200.11951	3.7
201.12770	1.5
208.12369	1.2
209.13194	3.7
211.11124	2.5
211.14786	2.7
212.12016	1.2
213.12779	12.7
213.16356	3.2
214.13486	1.9
223.14906	1.5
225.12561	1.2
225.16304	2.5
226.13518	1.4
227.14313	6.3
227.17896	1.6
236.12144	1.3
236.15457	1.6
239.14293	2.2
241.04953	2.3
241.15831	5.1
241.19528	2.8
251.14259	1.5
251.17963	6.6
254.16646	1.6
269.18948	78.9
270.19437	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	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01852	3.5
55.05509	20.5
57.03434	34.8
57.07067	3.2
61.51433	1.2
65.03942	2.0
65.39153	1.2
67.05500	78.5
69.03422	1.5
69.06717	1.7
69.07064	27.7
69.44133	2.2
69.44524	2.8
70.96574	1.3
71.04995	6.9
73.02925	1.5
77.03942	1.3
79.05486	40.9
81.03432	1.3
81.07050	100.0
82.07361	2.0
83.04989	10.9
83.08619	17.5
85.06517	7.2
91.05479	21.8
93.07040	67.1
95.04971	7.9
95.08598	25.8
97.06517	15.8
97.10159	3.3
98.23423	2.6
98.36185	1.2
99.08070	4.5
103.19558	1.3
104.89427	1.2
105.04467	1.8
105.07033	12.3
107.08587	38.6
109.06501	4.0
109.10132	5.2
111.08095	9.0
111.11707	1.7
117.07000	9.6
119.08607	2.4
121.10149	22.9
123.11688	1.9
125.09635	1.5
127.13766	1.3
130.00513	1.3
131.08525	10.9
133.10126	12.3
135.08086	2.4
135.11685	11.6
139.11150	1.6
145.10054	2.4
149.09656	1.8
149.13245	59.4
150.13416	1.7
151.11176	1.9
157.10110	2.5
159.11693	24.9
167.14276	1.4
171.11668	1.7
172.27858	1.2
177.12730	10.5
195.13809	13.7
208.56001	1.5
213.16519	1.3
219.64557	1.2
251.10770	1.2
263.78738	1.4
269.14630	2.6
269.17429	41.2
269.22156	7.1
270.07840	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03927	1.9
55.01871	4.0
55.05507	19.1
57.03432	37.0
57.07066	4.8
59.03008	0.7
65.03928	2.1
67.05498	80.4
69.03364	1.0
69.07062	30.6
69.32220	2.5
69.32626	2.2
71.04978	7.4
73.02904	1.3
77.03895	2.0
79.05486	44.4
80.05782	1.4
81.03388	1.7
81.07049	100.0
81.58549	0.8
82.07377	1.2
83.04967	8.9
83.08614	16.6
85.06532	7.3
91.04967	1.7
91.05473	22.9
93.07037	72.2
95.04960	8.6
95.08600	27.2
97.06520	17.9
97.10144	3.7
97.53755	1.0
99.08083	4.6
105.04445	1.3
105.07031	7.7
107.04921	1.0
107.08585	36.0
109.06494	2.7
109.10134	4.7
111.07462	0.8
111.08070	11.2
111.11694	1.1
112.27653	1.0
113.05965	1.0
113.09654	1.5
117.07010	8.2
119.08540	2.9
121.06454	1.9
121.09293	1.4
121.10131	24.7
123.11639	2.4
123.37294	0.9
125.09583	0.9
127.07523	1.0
131.08543	11.6
133.10117	8.5
135.08009	2.2
135.11702	11.8
139.07443	1.0
139.11174	4.1
147.11607	3.1
148.78970	0.8
149.13237	52.8
150.13487	1.0
151.11157	1.8
154.01250	0.9
157.10030	2.0
159.11678	22.8
167.08485	1.0
167.14249	1.2
171.11630	1.7
177.11598	0.8
177.12733	9.7
181.09868	0.9
183.11696	1.0
185.13171	1.6
187.14798	2.0
195.13733	12.7
199.11087	1.6
199.14690	1.3
209.13087	1.4
213.14642	1.0
241.19435	0.8
269.04330	1.0
269.17343	42.2
269.22394	2.3
270.17789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03920	1.7
53.78117	0.7
55.01836	3.6
55.05510	23.7
57.03433	42.0
57.07072	6.1
65.03899	2.4
66.04702	0.8
67.05500	80.7
67.06032	2.3
69.03407	1.7
69.07063	33.6
71.01327	1.2
71.04984	7.4
71.08612	1.6
77.03893	1.7
77.09966	0.7
79.05486	50.9
81.03384	2.8
81.07050	100.0
82.07345	1.2
83.04549	1.1
83.04970	9.8
83.08606	20.8
85.06551	5.5
85.48312	0.8
91.05471	24.6
93.07037	75.0
94.53216	0.7
95.04955	9.2
95.08599	28.6
97.06518	15.5
97.10119	2.8
98.23422	2.5
99.04451	0.9
99.08084	4.1
103.05461	0.9
105.04504	1.4
105.06465	0.8
105.07011	9.1
107.08584	40.7
108.68845	0.8
109.06525	4.2
109.10130	5.2
111.08074	9.4
111.11716	1.7
113.09586	1.4
117.06324	1.0
117.07009	12.0
119.05987	1.0
119.08590	3.8
121.06445	1.6
121.10133	26.4
123.08043	1.4
123.11623	2.6
125.09579	0.9
127.07471	1.3
129.06929	1.4
131.08548	10.0
133.10121	10.8
135.07996	1.7
135.11693	11.1
135.81616	0.8
139.00185	1.8
139.11076	2.8
143.08499	1.4
145.10086	1.9
147.07991	1.2
147.11572	2.5
149.13245	51.9
150.13506	1.1
151.11104	1.6
156.09322	1.0
157.10075	1.8
159.11684	21.9
165.12656	1.2
167.14191	1.1
169.09921	0.9
171.11528	2.2
173.13173	1.0
177.12732	8.9
185.09573	1.3
185.13116	1.9
187.14745	1.4
195.12004	1.2
195.13780	13.4
197.13074	1.0
199.11092	1.3
199.14693	1.1
213.12695	1.3
213.16278	2.3
241.04857	2.2
246.14711	0.7
263.12198	0.8
269.04254	1.3
269.17282	41.1
269.22452	3.8
270.17438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01866	2.8
55.05507	24.2
57.03435	28.1
57.07069	3.4
65.03930	2.3
67.05501	76.6
68.05846	1.3
68.99790	1.1
69.07061	26.5
69.86868	0.8
71.01345	1.8
71.04989	6.2
73.02908	1.2
77.03934	1.4
79.05488	43.4
81.03414	3.5
81.07051	100.0
82.07411	1.4
83.04980	8.9
83.08617	19.2
85.06525	5.9
91.05476	25.4
93.07038	62.6
95.04960	9.5
95.08601	26.0
97.06528	17.8
97.10161	2.0
98.22642	2.1
99.08069	4.4
105.04520	3.3
105.07019	11.0
107.04951	1.9
107.08588	38.2
108.08961	1.1
109.06511	5.7
109.10147	6.5
111.08079	7.9
111.11716	1.5
113.06010	1.2
117.07007	10.2
119.08560	5.8
121.06514	2.7
121.10136	20.5
123.08093	1.6
123.11735	3.1
129.06953	2.0
131.04961	1.3
131.08556	12.9
133.06514	0.9
133.10126	13.5
135.08061	2.0
135.11682	13.1
139.00285	3.4
139.11188	2.4
142.07773	1.8
143.08562	3.2
144.09312	1.1
145.10081	3.0
147.08070	1.4
147.11714	3.4
149.09637	1.3
149.13243	38.9
150.13664	1.1
151.11183	1.1
155.08626	1.0
156.09238	1.1
157.06526	1.2
157.10114	5.7
159.11685	24.3
161.09673	1.3
161.13313	2.9
167.08582	1.2
167.14415	1.1
169.10100	2.7
171.11633	5.1
173.09627	1.0
173.13266	2.9
175.14847	3.8
177.12738	12.5
179.14178	1.2
181.10097	1.6
183.11644	1.8
185.09645	3.3
185.13274	2.9
185.14917	1.0
187.14861	4.0
195.11913	1.1
195.13776	13.1
197.09555	1.5
199.11171	5.2
199.14801	4.7
200.11783	0.9
209.13188	1.2
211.14766	1.5
213.12764	2.2
213.16376	2.8
220.27863	1.1
227.14456	1.1
227.17982	1.8
241.04941	4.7
241.19472	1.0
251.18004	2.2
269.04477	3.4
269.17087	40.1
269.22717	15.9
287.04431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	2.3
53.64046	0.7
55.01876	3.9
55.05511	20.8
57.03436	41.0
57.07075	5.1
60.12592	0.8
65.03943	1.9
67.05504	78.2
68.99782	1.9
69.03426	1.0
69.07066	32.2
69.07444	2.0
71.04990	7.1
71.43037	0.8
73.02882	0.9
75.33299	0.9
79.05490	51.3
81.03407	1.9
81.07054	100.0
83.04979	10.1
83.08617	21.1
85.06553	5.5
91.04944	1.5
91.05479	25.7
93.07041	75.4
95.04967	8.8
95.08025	1.5
95.08604	25.7
97.06526	14.6
97.10175	2.5
99.04457	1.2
99.08099	4.3
100.39630	0.8
105.04511	3.2
105.07021	8.8
107.04970	0.8
107.08591	37.1
109.06506	3.8
109.10143	3.8
111.08081	9.4
111.11750	0.8
113.06006	0.9
117.07027	9.7
119.08558	2.5
120.53192	0.8
121.06509	1.8
121.10136	24.6
123.11691	2.5
125.09628	0.9
126.20750	0.8
129.07068	1.0
131.08568	9.8
133.10126	9.9
135.08043	2.0
135.11682	9.6
139.00281	3.6
139.11111	2.0
143.08510	1.2
145.10201	1.0
147.11671	2.0
149.13249	49.9
150.13632	0.9
151.11221	1.2
156.64859	0.7
157.10144	1.4
159.11684	20.1
167.14301	1.1
171.11624	1.2
173.13216	0.8
177.12758	9.1
182.13194	0.8
185.13275	1.1
195.13777	12.2
210.54756	0.7
213.16615	1.3
241.04950	5.2
269.04462	4.9
269.17465	37.4
269.22418	2.1
270.07532	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01855	3.1
55.05503	19.9
55.10026	1.1
57.03432	27.9
57.07084	5.7
57.07296	1.0
65.03925	3.7
67.05499	77.9
68.99762	3.2
69.06718	2.2
69.07063	32.6
71.04975	4.6
71.08604	1.9
71.17370	1.1
74.25610	0.9
75.24889	0.9
75.48022	1.2
77.03923	1.8
79.05486	43.6
79.38328	1.1
81.03384	4.2
81.07050	100.0
82.07359	1.6
83.04967	8.1
83.08614	18.6
85.06519	3.9
88.74908	1.1
91.04946	2.0
91.05474	32.0
92.41801	1.1
93.07038	67.0
94.07364	2.0
95.04968	9.5
95.08027	2.2
95.08597	31.9
97.06524	15.8
97.10143	2.3
99.08067	2.9
104.99258	5.3
105.04510	2.2
105.07026	21.7
107.04974	1.8
107.08591	39.9
109.06493	4.0
109.10147	11.6
111.08089	7.9
117.07002	13.3
119.08564	19.0
121.06476	2.7
121.10135	23.8
123.08121	1.2
123.11692	7.1
128.06146	1.7
129.06964	3.9
130.07809	1.4
131.08553	19.7
133.10123	23.5
135.08037	2.9
135.11681	11.8
137.02307	1.5
137.13235	1.6
139.00226	3.5
141.06952	1.4
142.07724	1.8
143.08546	10.4
144.09326	2.5
145.06441	1.8
145.10114	13.2
147.08023	2.5
147.11697	9.5
149.09645	1.8
149.13245	34.5
155.08466	1.9
156.09322	3.3
157.10133	12.5
159.11691	33.7
160.12068	1.3
161.09650	1.4
161.13275	8.2
165.01877	1.6
167.14243	1.3
169.10130	1.7
170.10931	2.3
171.11656	12.6
172.12201	1.4
173.13260	11.6
175.14816	6.5
177.12784	10.3
181.10107	1.9
183.11662	1.6
184.12354	2.5
185.09550	3.5
185.13199	10.6
187.11235	2.8
187.14755	9.5
195.11948	1.6
195.13744	13.4
197.13226	1.5
199.11115	5.2
199.14798	12.7
201.16496	2.6
213.12866	2.5
213.14821	1.4
213.16412	14.5
222.18216	1.2
227.17867	5.5
241.04877	5.3
241.19537	2.3
269.04413	3.2
269.15128	2.4
269.17303	39.7
269.22565	71.1
270.07513	1.9
270.22937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03938	3.2
55.01865	5.7
55.05507	23.3
57.03432	28.4
57.07070	3.3
65.03935	3.6
67.05499	74.9
69.03400	1.9
69.07064	32.7
69.23609	7.1
71.04987	6.1
71.08643	1.8
73.02921	1.2
77.03925	1.5
79.05488	42.0
79.05952	2.3
81.03416	10.0
81.07050	100.0
83.04974	9.8
83.08607	21.1
85.06565	6.1
85.07010	1.0
91.05472	28.3
93.07036	61.1
95.04964	15.2
95.08601	28.6
97.06526	15.7
97.10175	2.6
97.50519	1.0
98.23428	2.8
99.08080	4.5
104.99319	1.9
105.04511	2.2
105.07026	15.7
107.04950	1.6
107.08584	34.4
109.06516	12.5
109.10139	8.0
111.08082	7.5
111.80282	1.1
113.09642	1.7
115.05440	1.9
117.07000	12.8
119.04932	1.5
119.08558	16.6
121.06504	4.7
121.10138	20.3
123.03544	1.3
123.08055	2.8
123.11696	5.8
125.09614	1.5
127.07598	1.2
128.06226	2.3
129.06992	3.6
131.04933	5.3
131.08549	15.0
133.06476	2.8
133.10120	19.8
135.08035	4.2
135.11687	16.2
141.07005	2.1
142.07759	3.0
143.08551	9.3
144.09262	1.4
145.06462	6.9
145.10075	7.2
147.08040	3.9
147.11696	4.2
149.09584	1.9
149.13249	36.5
149.14447	1.8
151.11201	1.2
155.08542	4.6
156.09358	4.1
157.06496	4.4
157.10124	11.0
158.10800	1.2
159.08054	3.5
159.11691	22.5
161.09624	8.9
161.13254	3.3
166.07747	1.4
167.08562	3.2
168.41663	1.1
169.10127	5.0
170.07330	1.5
170.10893	2.5
171.08012	6.3
171.11656	8.2
172.12476	1.4
173.09596	2.8
173.13232	6.2
175.14824	15.0
177.12740	10.7
179.08533	3.2
180.09322	1.5
181.10144	4.4
182.10826	1.4
183.08049	4.6
183.11652	5.4
184.08891	1.8
185.09615	16.3
185.13168	6.4
187.11198	3.8
187.14777	11.9
188.15578	2.7
193.10249	2.0
195.11691	6.8
195.13794	13.6
196.12413	1.7
197.09668	1.4
197.13260	5.1
199.11169	26.7
199.14842	1.8
200.11951	3.7
201.12770	1.5
208.12369	1.2
209.13194	3.7
211.11124	2.5
211.14786	2.7
212.12016	1.2
213.12779	12.7
213.16356	3.2
214.13486	1.9
223.14906	1.5
225.12561	1.2
225.16304	2.5
226.13518	1.4
227.14313	6.3
227.17896	1.6
236.12144	1.3
236.15457	1.6
239.14293	2.2
241.04953	2.3
241.15831	5.1
241.19528	2.8
251.14259	1.5
251.17963	6.6
254.16646	1.6
269.18948	78.9
270.19437	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	269.1899
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
51.91643	0.7
53.03928	1.2
55.01867	2.4
55.05508	6.3
57.03430	4.3
57.07072	1.6
65.03953	0.7
67.05501	9.2
69.07062	7.1
72.31880	0.6
74.46463	0.6
77.68150	0.7
78.03178	0.6
79.05484	5.8
81.03407	8.5
81.07047	14.2
83.04989	1.8
83.08604	4.3
85.06532	1.2
85.07401	0.7
86.22227	0.6
88.99003	0.7
90.12353	0.6
91.05454	6.1
93.07043	9.8
95.04961	7.3
95.08596	9.4
97.06515	1.7
97.10143	0.9
98.23485	1.9
105.07016	8.4
107.04947	1.6
107.08578	6.8
109.06519	8.3
109.10135	5.7
111.08105	0.9
115.05467	1.0
117.06989	3.8
119.04956	0.8
119.08566	12.7
121.06513	2.8
121.10143	5.6
121.65512	0.6
123.08055	1.4
123.11702	2.2
128.06218	2.0
129.07002	3.8
131.04913	4.3
131.08549	5.6
133.06490	2.8
133.10123	9.0
135.08044	2.4
135.11673	5.9
137.13271	0.6
139.00244	1.3
141.06967	2.1
142.07776	4.1
143.08537	8.9
144.09314	1.0
145.06477	6.1
145.10094	8.1
146.10756	0.8
147.08051	5.3
147.11664	2.7
149.09584	1.3
149.13243	3.5
155.08540	4.0
156.09346	2.9
157.06508	3.9
157.10098	11.6
158.10849	0.8
159.08032	4.3
159.11647	7.3
161.09579	7.1
161.13297	4.0
165.06999	1.9
167.08568	2.4
169.06538	0.7
169.10120	7.4
170.07253	0.9
170.10857	2.3
171.08029	4.4
171.11681	9.9
171.79076	0.6
172.12265	0.7
173.09625	2.4
173.13246	8.0
175.11255	1.8
175.14804	13.3
179.08490	1.6
180.09299	1.7
181.10117	4.8
182.10902	1.9
183.08125	2.0
183.11664	3.6
184.08827	2.3
185.09599	9.0
185.13222	6.3
186.10355	1.8
187.11185	4.3
187.14790	13.0
188.15503	1.9
189.12703	0.8
193.10165	1.3
194.10727	1.3
195.11703	5.9
195.13646	1.1
196.12514	0.8
197.09546	1.5
197.13260	5.2
198.10387	1.9
198.14059	0.7
199.11147	27.9
199.14774	3.8
200.11899	2.6
201.12712	1.7
201.16377	0.7
207.11647	1.2
209.13185	4.6
210.14087	1.0
211.11147	1.5
211.14758	3.8
212.12021	1.0
212.15440	1.1
213.12714	14.8
213.16357	2.9
214.13448	1.6
221.13217	1.4
222.14178	0.7
223.14830	2.6
225.12773	1.3
225.16383	2.8
227.14258	3.7
227.17781	1.4
236.15654	1.1
239.14342	2.2
240.15146	1.1
241.04956	1.8
241.15794	6.1
241.19450	4.9
251.17972	6.1
254.16672	1.6
269.04422	3.0
269.18997	100.0
269.22342	5.1
270.19354	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	269.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03930	0.7
53.72670	0.4
55.01863	1.1
55.05511	4.4
57.03442	4.4
57.07077	1.4
67.05502	6.4
68.99783	0.5
69.03413	1.1
69.07062	5.1
69.97076	1.4
71.05000	0.7
71.08643	0.4
78.69498	0.4
79.05041	0.6
79.05491	5.8
81.03423	7.6
81.07051	9.0
83.04969	1.2
83.08633	2.5
85.06505	0.5
88.59856	0.4
91.05483	5.6
93.07040	6.8
93.46586	0.4
95.04969	5.8
95.08607	7.3
97.06506	1.6
97.10154	0.7
104.64823	0.4
105.07024	9.2
107.04949	2.1
107.08588	7.3
109.06516	12.1
109.10142	4.7
111.08147	0.8
115.05437	0.8
117.07013	3.7
119.06088	0.4
119.07746	0.8
119.08572	12.9
121.06506	3.0
121.10134	5.5
123.08051	2.6
123.11705	3.0
128.06226	2.4
129.07014	3.8
130.07782	0.9
131.04932	2.0
131.08563	6.7
133.06473	2.8
133.10135	8.2
135.08060	2.1
135.11685	4.6
137.09615	0.8
137.13254	0.6
139.00258	0.9
141.06999	2.2
142.07782	4.1
143.08557	8.6
144.09319	1.1
145.06471	6.1
145.10118	8.3
146.10825	0.5
147.08051	5.1
147.11697	3.6
149.09587	1.2
149.13251	1.9
153.06958	1.3
154.07735	1.0
155.08539	4.8
156.09329	4.7
157.06482	1.6
157.10124	10.2
158.10899	1.1
159.08076	3.1
159.11690	9.5
161.09630	6.1
161.13252	4.5
163.11185	1.1
165.06911	2.3
166.07782	1.3
167.08562	3.4
168.09302	1.2
169.06528	0.8
169.10124	7.0
170.07263	0.7
170.10915	2.4
171.08060	3.8
171.11685	8.7
172.08858	1.2
172.12430	0.8
173.09615	2.8
173.13240	6.1
175.11185	1.9
175.14821	7.7
179.08559	2.4
180.09326	2.4
181.10123	5.3
182.10869	3.2
183.08025	1.5
183.11691	5.5
184.08762	2.0
184.12350	1.1
185.09616	8.8
185.11250	0.7
185.11580	0.6
185.13223	6.5
186.10349	1.8
187.11215	5.1
187.13177	0.8
187.14818	9.9
188.15511	0.5
191.78003	0.4
193.10097	1.3
194.10867	1.8
195.11694	6.7
196.12535	2.4
197.09526	2.6
197.13242	6.9
198.10358	1.9
199.11186	18.3
199.14806	3.8
200.11916	2.7
201.12749	1.8
207.11691	1.4
208.12509	1.3
209.13283	6.5
210.14073	0.8
211.11198	2.5
211.14783	6.4
212.11913	1.2
212.15437	1.5
213.09457	0.5
213.12743	12.7
213.16141	2.4
214.13460	1.1
221.13214	1.5
222.14006	1.3
223.14830	2.7
225.12801	2.2
225.16330	3.9
226.13490	1.9
226.17168	0.8
227.14328	6.0
227.17935	1.8
236.15555	1.3
239.14215	2.7
240.15088	1.4
241.04976	1.7
241.15930	4.8
241.19484	5.2
251.14255	1.1
251.17938	7.2
254.12714	0.6
254.16689	1.9
258.97696	0.5
269.04422	1.3
269.15570	5.2
269.18988	100.0
270.19345	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	269.19
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.01858	3.5
55.05504	3.4
57.03431	1.5
57.07063	2.0
58.62444	0.8
67.05517	4.8
69.07065	5.3
71.31310	1.0
79.05473	5.0
81.03410	10.2
81.07054	8.1
83.08624	4.4
91.05447	5.1
93.07040	5.8
93.34908	0.8
95.04973	7.5
95.08597	5.6
104.99282	5.1
105.07034	8.2
107.04960	3.1
107.08598	5.8
109.06512	10.6
109.10134	4.1
115.05434	1.0
117.07011	3.4
119.08572	15.2
121.06484	3.2
121.10105	4.3
123.08057	2.3
123.11688	3.4
128.06192	1.9
129.07001	4.6
129.33264	0.9
131.04913	4.3
131.08528	6.2
133.06485	3.3
133.10130	11.6
135.08060	1.4
135.11713	5.3
141.06969	1.8
142.07764	4.2
143.08565	9.1
144.09399	1.4
145.06473	7.4
145.10115	8.0
147.08044	5.6
147.11711	3.9
147.64801	0.9
149.09612	2.0
149.13297	0.9
155.08594	2.3
156.09314	3.8
157.06451	4.9
157.10114	8.7
158.10832	1.4
159.08054	4.5
159.11678	7.2
161.09593	9.2
161.13284	3.2
165.06982	1.2
166.07864	1.4
167.08588	1.9
169.10118	4.9
170.07243	1.5
170.10880	2.3
171.08073	5.1
171.11656	8.3
173.09662	2.8
173.13266	6.8
175.11227	1.6
175.14816	16.9
180.09407	1.3
181.08749	1.1
181.10135	4.0
182.10928	1.5
183.07932	1.9
183.11635	4.1
184.08827	2.3
185.09610	9.2
185.13223	4.1
186.10355	1.6
186.99539	1.5
187.11171	2.8
187.14796	12.6
188.15471	2.2
193.10052	1.5
194.10991	1.5
195.11633	6.0
197.09508	1.2
197.13257	3.9
198.10371	1.8
199.11165	28.6
199.14784	1.7
200.11885	3.1
207.11681	1.4
208.88281	1.0
209.13229	3.7
211.08835	1.2
211.11072	2.2
211.14822	3.2
212.11858	1.3
213.12714	14.6
213.16183	1.7
214.13423	2.3
223.14821	2.0
224.10657	1.4
225.10187	2.4
225.12750	1.5
225.16451	2.5
226.10999	2.0
226.13498	1.4
227.14255	5.0
227.17950	1.0
239.14345	1.8
241.13504	1.9
241.15883	4.3
241.19507	3.1
251.17857	5.4
254.16594	1.7
269.04507	1.0
269.13251	4.6
269.18991	100.0
270.19412	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	269.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01874	2.8
55.05512	4.5
57.03421	2.6
57.07072	0.8
65.03922	0.7
67.05503	6.6
69.03413	0.9
69.07064	5.8
75.58239	0.4
77.31963	0.4
79.05498	5.2
81.03413	11.5
81.07056	8.5
83.04957	0.7
83.08606	3.8
91.05467	5.9
93.07050	7.1
95.04345	0.6
95.04960	8.5
95.08599	7.4
97.06522	1.2
105.07024	8.6
107.04961	1.8
107.08592	6.0
109.06512	8.5
109.10149	4.7
111.08022	0.5
115.05458	1.1
117.07038	2.4
119.04914	0.9
119.08572	13.5
121.06517	2.0
121.10151	5.6
123.08064	3.0
123.11683	3.1
128.06226	2.1
129.06992	4.8
130.07797	0.9
131.04916	5.8
131.08568	4.9
133.06467	3.6
133.10132	9.0
135.08032	2.0
135.11679	5.8
137.09616	0.4
137.13184	0.6
141.06979	1.8
142.07776	3.0
143.08563	7.9
144.09348	0.5
145.06482	5.0
145.10107	8.4
147.08044	5.5
147.11684	3.9
149.09619	2.0
149.13252	1.8
153.07005	0.8
154.07730	0.7
155.08562	2.8
156.09351	4.4
157.06491	4.6
157.10112	8.8
158.10843	0.8
159.08073	3.0
159.11679	5.3
161.09613	9.3
161.13231	3.4
163.11278	0.6
165.06996	1.4
166.07773	1.4
167.08569	2.2
168.09306	1.0
169.06500	0.6
169.10129	4.7
170.07240	1.5
170.10870	1.7
171.08041	5.1
171.11674	7.6
172.08777	0.7
173.09579	2.5
173.13252	7.4
175.11211	1.2
175.14818	16.2
179.08575	1.4
180.09344	1.1
181.10071	4.4
182.10860	1.3
183.08102	1.5
183.11656	3.9
184.08839	3.3
184.12415	0.9
185.09616	11.6
185.13242	5.4
186.10255	1.1
187.11220	3.8
187.14812	15.5
188.11716	0.5
188.15549	1.5
193.10100	1.0
194.10899	0.8
195.11697	5.4
196.12471	1.1
197.09563	2.3
197.13284	3.5
198.10350	2.4
198.13829	0.7
199.11171	25.3
199.14813	2.4
200.11929	3.1
201.12781	1.3
207.11678	0.9
208.12453	0.8
209.13235	3.3
211.11166	1.7
211.14771	3.0
212.11961	1.5
213.12730	13.1
213.16386	2.0
214.13399	2.2
221.13347	1.0
222.14059	0.8
222.91345	0.5
223.14827	1.5
225.12721	0.9
225.16364	1.9
226.13530	1.5
227.14253	3.8
227.17961	0.7
234.47943	0.4
236.15553	0.7
239.14304	1.9
240.15077	0.8
241.15889	4.2
241.19386	2.7
246.09503	0.4
251.17955	4.5
254.16692	1.7
269.18991	100.0
270.19330	4.2
286.46536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01858	0.9
55.05499	4.5
57.03435	7.6
57.07074	1.5
58.61124	0.5
65.03938	0.7
67.05503	5.3
69.03439	1.0
69.07059	5.6
69.11902	0.6
72.04523	2.3
77.65801	0.6
79.05486	5.0
79.80501	0.6
81.03410	6.5
81.07045	7.9
83.08629	3.7
91.05475	18.5
93.07044	5.3
95.04959	6.0
95.08595	8.9
96.55578	0.6
97.06528	0.8
97.10181	0.7
103.05521	0.6
105.04516	0.5
105.07032	9.2
105.20844	0.5
107.04974	0.9
107.08595	5.9
109.05405	0.8
109.06516	10.7
109.07216	0.8
109.10157	6.2
114.24179	0.5
115.05403	0.8
116.06231	0.6
117.07027	2.9
119.08574	12.9
121.06490	3.1
121.10130	6.1
123.08081	2.0
123.11720	2.3
128.06250	1.9
129.07019	3.5
131.04924	2.0
131.08557	6.5
132.04619	0.5
133.06491	1.8
133.10110	8.8
135.08049	2.4
135.11694	3.8
141.06995	2.7
142.07811	3.8
143.08542	11.6
143.09622	0.8
144.09396	0.6
145.06427	4.4
145.10112	10.0
147.08049	5.8
147.11708	4.4
149.09628	1.6
149.13264	1.1
153.07008	1.3
154.07805	0.9
155.08542	4.6
156.09328	6.7
157.06499	2.6
157.10114	14.6
158.10863	1.8
159.08078	2.9
159.11678	9.1
161.09639	5.2
161.13280	4.4
163.11224	0.7
165.07022	2.6
166.07796	1.5
167.08542	3.0
168.09334	1.2
169.10101	7.1
170.10890	2.9
171.08046	5.5
171.11676	16.0
172.08788	1.1
172.12415	2.4
173.09627	2.9
173.13246	15.0
175.11229	1.4
175.14810	7.4
179.08557	1.9
180.09290	1.3
181.10109	6.1
182.10864	1.8
183.07996	1.2
183.11699	5.2
184.08842	2.1
184.12387	1.0
185.09627	9.5
185.13245	15.1
186.10378	1.3
187.11191	4.3
187.14803	13.9
188.15533	1.2
193.10162	1.0
194.10791	1.4
195.11650	6.9
196.12440	1.4
197.09669	1.6
197.13258	6.5
198.10400	2.2
198.13914	0.7
199.11166	22.8
199.14786	8.8
200.11856	2.8
200.15158	0.6
201.12724	1.2
201.16431	2.5
207.11665	1.3
208.12451	1.1
209.13245	6.1
211.11157	1.7
211.14804	9.4
212.11998	1.3
212.15538	1.8
213.12733	10.8
213.16347	13.5
214.13446	1.2
214.16772	0.9
221.13318	1.2
223.14813	2.5
225.12727	1.7
225.16345	4.9
226.13521	2.0
226.17015	1.2
227.14334	4.9
227.17882	3.9
236.15611	1.6
239.14297	2.0
239.18057	1.2
240.15102	0.9
241.13617	0.9
241.15820	4.0
241.19536	5.8
251.17876	7.1
254.16628	2.0
269.19022	100.0
269.22604	28.8
270.19370	4.3
270.22769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.19
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03929	1.0
55.01870	1.5
55.05504	4.4
57.03446	4.5
57.07066	2.3
63.23589	0.8
67.05493	3.4
69.07076	5.0
69.62377	3.4
71.04993	1.2
71.08602	0.7
75.97137	0.9
79.05492	5.3
81.03413	8.2
81.07059	8.5
82.64967	0.9
83.04956	0.8
83.08617	3.2
85.06528	1.1
88.07642	1.4
91.05467	4.4
93.07032	5.6
95.04971	6.9
95.08590	6.5
97.04435	0.8
97.06519	1.4
98.22754	1.8
99.00145	0.7
100.59418	0.8
104.99265	5.3
105.07018	6.6
106.27864	0.8
107.04902	1.6
107.08586	5.2
109.06501	8.2
109.10152	4.5
117.07018	2.4
119.08577	11.7
121.06461	2.2
121.10166	5.4
123.08047	1.8
123.11711	3.4
128.06230	1.5
129.06993	3.6
131.04933	2.9
131.08537	3.8
133.06482	1.7
133.10092	5.7
135.04414	5.1
135.08034	1.6
135.11700	4.2
141.07021	1.4
142.07771	2.0
143.08546	5.5
145.06477	5.9
145.10107	7.5
147.08087	4.5
147.11653	2.4
149.09575	1.1
149.13255	0.9
153.06961	1.0
155.08511	3.3
156.09334	4.1
157.06456	2.9
157.10135	9.4
159.08047	3.6
159.11694	6.0
160.98740	0.9
161.09634	5.6
161.13260	2.6
165.06963	1.3
166.07753	1.2
167.08554	2.8
169.10135	4.7
170.10826	1.5
171.08051	5.9
171.11685	7.9
173.09665	4.2
173.13261	5.8
175.11194	1.8
175.14812	9.6
179.08508	1.0
180.09338	1.1
181.10118	3.6
182.10928	2.6
183.08084	1.8
183.11642	4.0
184.08855	3.8
185.09633	9.5
185.13235	7.1
186.10379	1.7
186.99498	1.5
187.11182	5.9
187.14806	8.7
188.15483	1.1
193.10155	1.1
195.11726	5.5
196.12421	0.8
197.09634	2.6
197.13278	4.4
198.10333	1.9
199.11172	26.3
199.14821	1.5
200.11839	4.0
201.16583	1.2
209.13200	5.2
211.11150	1.4
211.14777	5.7
212.11990	1.2
213.12723	12.6
213.16336	2.9
214.13336	1.1
223.14752	1.0
225.12646	2.1
225.16298	2.1
226.13518	2.0
227.06953	0.9
227.14241	4.6
239.14352	1.9
241.04974	1.9
241.08620	2.2
241.15829	6.3
241.19559	3.9
251.14133	1.1
251.17885	4.5
251.20155	1.2
254.16617	1.6
269.04279	1.6
269.08069	3.8
269.18988	100.0
270.07675	2.0
270.19327	4.9
270.27878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
52.31772	0.3
53.03950	0.4
53.36771	0.3
55.05505	5.2
57.03429	1.9
57.07077	1.7
67.05161	0.5
67.05499	6.9
68.99780	0.6
69.06715	0.6
69.07064	8.6
71.04967	0.5
71.08620	0.7
76.57468	0.3
79.05088	0.5
79.05488	4.1
81.03404	0.6
81.07051	9.4
82.07375	0.4
83.04961	0.7
83.08607	3.3
90.85191	0.3
91.05460	2.9
91.56847	0.4
93.07037	6.9
95.04958	0.9
95.08600	7.0
97.06528	1.1
97.10156	2.0
98.23504	0.8
100.85028	0.3
104.23959	0.4
104.99261	0.4
105.07032	5.0
106.83260	0.4
106.88682	0.3
107.08588	5.3
109.06535	0.5
109.10152	3.2
110.38971	0.3
111.08060	0.7
111.11677	0.9
117.07000	1.9
119.08572	7.7
121.06515	0.6
121.10130	3.7
123.11694	1.3
128.06204	1.3
129.06999	2.0
131.08556	4.4
133.10129	6.9
135.11705	1.7
137.02336	0.5
137.13194	0.6
139.00244	1.0
141.06972	0.8
142.07809	2.4
143.08549	7.2
144.09314	1.2
145.06429	0.4
145.10109	9.8
146.10530	0.4
147.08076	0.4
147.11664	2.9
149.13217	2.7
155.08521	1.3
156.09305	5.4
157.10121	18.9
158.10895	3.6
159.10361	0.8
159.11678	15.7
161.09578	0.4
161.13243	2.5
162.13673	0.4
163.14790	0.8
165.06920	0.5
167.08665	0.4
169.10139	2.4
170.10884	5.0
171.10172	0.6
171.11676	21.5
172.12460	3.9
173.13245	24.3
174.13586	0.7
175.14832	1.8
177.12766	0.5
179.08461	0.3
181.10193	0.7
182.10899	0.6
183.11691	3.0
184.12476	2.9
185.09747	0.8
185.13237	33.0
186.13657	1.2
187.11287	0.9
187.14801	19.7
188.15219	0.5
195.11694	0.6
195.13736	1.0
197.13255	2.5
198.14011	1.6
199.11075	1.9
199.14801	22.1
200.15215	0.7
201.12651	0.5
201.16365	4.8
208.12471	0.4
209.13251	0.8
211.11108	0.6
211.14761	2.0
212.15567	0.5
213.12798	2.1
213.16353	29.9
214.16780	1.2
225.16368	1.5
226.17059	0.8
227.14439	0.6
227.17931	7.6
239.17836	0.9
240.18810	0.4
241.04910	1.6
241.19481	6.3
243.03912	0.4
251.17912	1.3
254.20581	0.3
269.04391	1.0
269.19083	9.7
269.22598	100.0
270.07541	0.8
270.19818	0.6
270.22940	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	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03934	1.4
54.32159	0.9
55.05509	9.1
57.03431	1.9
57.07062	3.0
61.71656	1.0
67.05506	13.1
67.45621	1.1
69.07066	10.8
69.73019	3.3
71.08624	2.2
76.01160	1.2
79.05485	7.9
81.07050	22.6
83.08620	6.0
84.08125	1.1
91.05475	9.8
93.07034	16.5
93.65807	0.9
95.04962	3.3
95.08604	22.3
95.09200	1.3
97.06537	2.3
97.10152	2.3
98.22726	1.3
99.08086	2.1
100.48949	1.0
104.99233	2.0
105.04559	1.0
105.07026	21.0
107.08589	18.2
108.08925	1.2
109.10151	14.8
111.11748	1.4
117.07045	5.7
119.08578	29.0
121.10147	12.6
123.11718	6.3
128.06210	1.7
129.06969	5.4
129.24457	1.0
130.07805	1.3
131.08586	15.4
131.15916	1.0
133.10136	13.9
135.11697	4.4
137.02328	2.3
139.00250	5.0
141.06882	1.1
142.07722	2.9
143.08572	14.3
144.09309	1.6
145.10124	21.0
147.11670	11.6
149.13248	4.0
155.08485	1.3
156.09326	3.6
157.10112	19.8
158.10857	1.1
159.11702	20.7
161.13239	9.8
163.14804	3.0
165.01860	1.6
169.10097	2.0
170.10924	3.6
171.11687	14.9
173.13251	13.5
175.14786	6.7
183.11769	1.5
184.12462	1.5
185.13232	13.2
187.14856	6.4
189.16454	1.7
197.13181	1.6
199.14832	20.0
201.16388	3.9
210.55338	1.0
211.10858	1.1
211.14767	1.6
213.16367	20.1
215.17969	1.1
227.17953	8.1
241.04971	5.4
241.19493	2.2
251.20110	2.0
258.37982	1.1
269.04413	3.0
269.11301	1.3
269.22632	100.0
270.07654	1.7
270.22974	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	269.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05513	5.6
57.03424	1.0
57.07054	2.7
62.37222	0.7
67.05498	7.8
68.99776	0.9
69.07070	7.8
71.08620	0.8
71.42887	0.9
77.03896	0.7
79.05486	6.1
81.03404	0.9
81.07054	16.4
81.07511	1.5
83.08598	3.6
91.05472	8.1
93.07033	9.2
95.04957	2.2
95.08029	1.2
95.08604	17.4
97.06515	0.9
104.99272	1.2
105.07017	13.7
107.08582	13.2
109.06506	1.1
109.10142	12.5
117.06982	3.9
119.08574	17.0
119.09421	1.0
121.10139	10.3
122.32978	0.7
123.11678	4.9
124.29900	0.7
126.45219	0.6
128.06160	0.8
129.06985	4.5
131.08556	10.1
133.10132	11.0
135.11665	4.4
137.13252	1.3
139.00282	1.3
142.07782	2.7
143.08536	9.8
144.09294	1.3
145.06505	0.9
145.10118	15.6
147.11674	9.7
149.13231	4.8
155.08600	1.1
156.09288	3.7
157.10110	14.4
158.10835	1.5
159.11678	18.5
160.12302	0.9
161.09734	0.9
161.13237	11.3
163.14824	2.0
165.01836	0.7
169.10112	1.8
170.10974	1.1
171.11678	10.9
172.12379	1.0
173.13242	14.3
175.14822	8.5
183.11684	1.5
184.12428	1.2
185.09636	1.7
185.13268	10.5
186.13687	1.1
187.14796	8.4
189.16371	2.3
197.13278	1.6
198.13943	0.9
199.11133	2.4
199.14824	14.9
200.15425	1.3
201.16394	3.1
211.14941	1.2
213.12915	1.4
213.16383	18.5
214.16867	1.2
225.16377	0.9
227.17964	5.9
241.04904	1.1
241.19432	3.3
269.04416	1.5
269.19119	7.7
269.22610	100.0
270.07706	1.0
270.23053	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	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03922	0.7
55.05265	0.5
55.05509	7.5
57.03427	1.2
57.07076	2.4
65.03951	0.7
66.59865	0.5
67.05499	8.2
69.07064	9.7
69.89821	1.5
79.05495	7.1
81.03397	0.6
81.07051	18.3
83.08618	4.2
85.17107	0.5
91.05468	9.0
93.06445	0.7
93.07040	12.5
95.04963	1.8
95.08601	18.5
95.09216	0.9
97.06529	0.5
97.10145	1.7
99.20171	0.5
103.05449	1.0
104.99246	1.0
105.07021	18.9
107.08586	15.9
109.06486	0.7
109.10149	10.7
111.11710	0.9
115.05450	0.8
117.07042	4.7
119.08569	24.2
121.10136	15.4
123.11709	5.9
128.06218	1.6
129.06989	3.6
130.07785	1.7
131.08563	12.1
133.10117	14.1
135.11684	4.9
137.13252	1.9
141.07025	0.7
142.07755	4.3
143.08560	12.2
144.09312	2.1
145.10112	18.5
147.11667	9.4
149.09578	4.6
149.13242	4.7
151.14822	0.6
155.08507	1.4
156.09354	3.0
157.10126	18.1
158.10895	1.5
159.11681	22.0
161.13235	10.0
163.14830	2.6
169.10100	2.0
170.10872	1.9
171.11668	15.2
172.12320	1.4
173.13246	12.9
175.14796	6.0
177.09027	2.0
177.16394	1.2
181.09973	0.6
183.11594	1.7
184.12514	1.2
185.09688	1.1
185.11693	1.0
185.13228	11.6
186.13893	0.7
187.11127	0.7
187.14780	6.2
189.16362	2.3
195.11678	0.7
197.13252	1.9
199.11136	1.9
199.14804	15.8
200.15372	1.3
201.16411	3.2
209.11729	1.7
211.14769	1.3
213.12891	0.7
213.16362	18.6
214.16972	1.5
225.16277	1.5
227.17944	5.9
241.19511	2.4
269.19128	8.0
269.22607	100.0
270.22980	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	269.2265
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05509	3.6
57.03411	0.2
57.07071	1.3
67.05502	2.5
68.99776	0.7
69.07066	4.4
71.08611	0.7
71.43160	0.3
79.05490	1.2
81.07054	3.5
83.08598	1.8
91.05460	1.0
93.07033	2.2
94.82294	0.2
95.04952	0.4
95.08601	4.2
97.10188	1.2
97.10828	0.2
103.85037	0.2
104.99249	1.0
105.03361	0.3
105.07034	3.5
107.08580	1.9
109.10144	2.6
111.00775	0.2
111.11699	0.8
115.05397	0.3
117.07008	1.1
119.08574	5.6
121.10139	1.5
122.46272	0.2
123.11691	1.4
128.06230	1.0
129.07024	0.9
130.07747	0.3
131.08556	3.6
133.10117	6.5
135.11691	1.0
137.02327	0.8
139.00272	1.9
141.06950	0.4
142.07756	1.8
143.08551	4.5
144.09334	1.3
145.10112	8.6
147.11670	2.1
149.13211	0.8
155.08514	1.0
156.09337	4.4
156.10513	0.4
157.10127	13.3
158.10889	5.7
159.11691	14.4
160.12097	0.3
161.13254	1.7
163.14781	0.3
165.01854	1.2
167.98038	0.2
169.10139	1.2
170.10901	4.7
171.11676	18.7
172.12448	2.3
172.57735	0.2
173.13249	37.7
174.13617	1.0
175.14781	1.3
182.10826	0.2
183.11662	1.3
184.12453	2.6
185.13248	24.5
186.13739	0.9
187.14815	16.0
188.15216	0.4
197.13300	1.0
198.13972	1.3
199.14804	20.5
200.15324	0.6
201.16380	7.4
211.14771	1.6
212.15649	0.4
213.16368	34.3
214.16830	1.3
225.16409	0.5
226.17229	0.4
227.17924	4.7
227.19939	0.4
239.18011	0.7
241.04979	2.4
241.19464	3.3
253.19427	0.4
269.04544	2.1
269.22623	100.0
270.07593	0.4
270.22968	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	269.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05512	10.3
55.48032	0.7
56.35777	0.7
57.03428	1.1
57.07067	2.3
63.42663	0.6
67.05501	12.0
68.99818	0.8
69.07070	9.8
69.33302	0.8
79.05493	10.1
81.07053	22.6
83.08621	4.2
91.05476	9.4
93.07046	19.5
93.07512	0.5
95.04965	1.1
95.08606	22.5
97.10179	2.3
102.09013	0.8
105.07027	21.9
107.08597	16.7
109.10150	11.6
115.05393	0.8
117.07018	5.2
119.08580	18.9
121.10146	9.0
123.11713	4.1
128.06258	2.0
129.07030	4.8
131.08566	15.7
133.10124	13.9
135.11682	4.5
137.02379	0.7
139.00241	0.8
142.07797	3.3
143.08569	12.7
144.09326	2.4
145.10127	17.9
147.11674	10.6
149.13252	4.1
155.08574	1.0
156.09346	2.2
157.10138	20.0
158.10851	1.1
159.11697	22.0
161.13242	9.4
163.14865	1.8
169.10130	1.5
170.10936	1.7
171.11681	14.9
172.12390	1.1
173.13260	14.6
175.14809	8.8
177.12787	1.5
183.11716	2.1
184.12518	1.3
185.13257	10.6
185.57236	0.8
186.13930	1.0
187.14819	7.7
189.16400	1.9
198.14061	1.3
199.14816	18.4
200.15459	0.7
201.16476	3.3
211.14793	1.2
212.15631	0.9
213.16371	19.1
214.17123	2.6
225.16481	0.8
227.17928	7.2
241.04874	1.1
241.19547	1.9
269.04596	1.1
269.22656	100.0
270.22906	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	270.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48019	0.3
58.06590	4.7
62.27665	0.2
67.41335	0.2
68.05032	0.3
69.19259	0.2
71.33980	0.3
77.81616	0.3
82.06573	0.9
83.07359	5.4
88.07617	1.2
98.09686	38.9
99.10032	0.3
110.44645	0.3
116.10722	100.0
117.10354	0.3
117.11033	1.3
128.36687	0.3
196.07315	5.2
270.10986	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	270.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64223	0.3
65.03939	1.6
67.05495	1.2
68.99797	2.1
69.23577	2.2
72.08151	100.0
73.06564	0.4
73.08492	0.9
79.05497	0.6
82.04200	1.0
83.87305	0.3
85.02916	1.7
90.09187	0.4
93.03407	0.9
97.06531	1.1
105.03394	0.3
105.07063	0.5
110.03668	1.0
111.04465	0.4
123.00814	0.9
125.06032	0.7
129.97221	0.3
138.03101	0.9
139.60350	0.3
153.05446	2.4
158.26749	0.3
171.06534	2.6
181.04944	39.6
182.05341	0.6
185.00838	2.1
199.92624	0.4
253.05275	0.5
270.05130	0.6
270.07690	0.8
270.13824	0.5
270.17038	0.6
271.05963	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	271.06
Annotation	Baicalein
Peak:m/z	Relative Intensity
50.54339	0.2
55.05502	0.3
60.13395	0.2
67.05507	0.2
68.99788	1.7
69.07090	0.2
70.99614	0.3
79.05485	0.2
81.07056	0.3
95.01321	1.9
95.04974	0.3
95.08618	0.4
103.05462	3.7
105.03384	1.5
105.07029	0.7
114.66612	0.2
115.05422	0.3
119.08546	0.3
121.06526	0.2
121.10165	0.2
123.00786	14.7
124.01107	0.3
129.03352	0.4
131.08556	0.3
133.10106	0.3
141.01816	1.4
141.07043	0.8
143.08589	0.2
145.10124	0.2
147.11693	0.3
151.00233	0.5
155.04880	0.2
157.10066	0.3
159.08034	0.2
161.13162	0.2
168.02945	0.4
169.01306	3.2
169.06564	0.2
169.10083	0.2
173.13283	0.3
179.04875	0.4
185.00790	1.2
197.05989	0.5
200.15193	0.2
207.04366	0.4
225.05428	1.3
229.04950	0.7
253.02332	0.2
253.04944	3.8
270.05585	0.2
270.22968	1.1
271.05981	100.0
271.20593	0.7
272.06335	3.5
272.25995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.63970	0.1
54.12289	0.1
55.05520	0.2
57.35106	0.2
67.01858	1.4
67.05489	0.5
67.07279	0.2
68.99782	2.4
70.06581	0.5
70.79919	0.1
71.04996	0.2
71.41995	0.2
79.20826	0.2
84.19450	0.2
89.93658	0.2
91.05469	1.5
93.07008	0.2
95.01293	0.2
95.08585	0.5
96.08910	0.3
97.02890	0.2
103.05467	0.4
105.03394	0.3
105.07040	0.3
109.10137	0.2
109.21851	0.2
111.00809	0.2
115.05400	0.2
116.07083	0.6
119.04935	5.1
121.02853	1.2
123.00782	1.3
129.01810	0.3
141.01790	0.2
145.01849	0.2
145.02850	1.5
153.01814	10.5
155.08539	0.2
163.03899	0.8
166.83838	0.2
166.99602	0.2
168.02904	0.7
169.01241	0.4
169.06436	0.3
171.02910	0.8
185.00806	1.1
187.03955	0.2
197.06035	0.4
202.06158	0.2
215.07068	0.2
225.05466	1.1
225.10031	0.2
229.04916	0.5
235.07483	0.3
243.06396	0.8
253.04948	0.6
253.08559	0.4
253.36913	0.2
271.05975	100.0
272.06311	3.9
272.09061	0.3
285.72672	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	271.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67525	0.8
68.99785	8.1
69.07042	1.0
70.66831	1.1
70.67162	1.8
93.07044	1.2
95.01321	1.6
102.35548	0.8
103.05457	3.3
105.03413	1.0
105.06998	1.9
107.08550	0.8
116.56451	0.8
123.00793	12.8
140.03389	1.8
141.01810	1.7
168.02914	5.2
169.01350	2.6
185.00813	7.2
215.45746	0.9
224.21991	0.9
225.05441	1.3
253.05014	2.5
253.11917	1.1
271.05997	100.0
271.13019	97.7
272.06323	3.9
272.09171	2.3
272.13336	2.7
272.25937	1.4
284.61655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.91304	0.6
55.05510	1.6
57.07077	1.2
58.06594	1.5
59.39257	0.6
62.22401	0.8
67.05492	3.3
67.70551	0.6
68.99783	5.6
69.07046	1.4
70.97636	0.7
71.18654	1.0
79.05488	4.1
80.05008	0.7
81.00373	0.8
81.03410	1.7
81.05797	1.6
81.07038	2.8
87.04449	1.0
91.05464	2.0
93.05777	1.6
93.07043	1.9
94.06549	1.9
95.01332	0.9
95.04956	1.9
95.08582	2.5
96.08133	5.0
103.05455	1.4
105.06995	3.4
105.97923	0.8
106.05926	0.8
106.06535	4.1
107.08609	1.4
108.08117	14.9
109.06525	0.8
109.10151	1.2
117.07021	1.6
118.06550	0.9
119.08581	2.4
120.08068	1.3
121.10089	0.9
122.09654	2.3
123.00797	6.1
123.11617	0.7
124.07614	0.8
129.06985	1.6
130.06468	0.7
131.08575	1.0
133.10158	0.8
134.05975	2.3
136.07565	3.5
140.03391	0.9
141.07011	0.9
142.07747	1.5
143.08559	1.7
144.08127	1.2
145.06464	1.3
145.10071	1.4
147.06784	1.1
147.08049	0.9
148.07542	1.0
154.06471	2.4
155.08539	0.8
156.08075	0.8
157.10110	3.4
158.09607	1.5
159.08102	3.3
159.09206	1.1
159.11684	0.8
166.07765	1.3
168.02934	4.3
168.08072	6.4
168.09363	1.3
169.01350	1.9
169.08868	5.3
169.10098	1.2
170.09628	2.9
171.09163	1.0
172.07574	2.9
174.09151	2.8
175.69576	0.7
177.12674	0.7
181.10135	2.5
182.05969	0.9
182.09576	3.5
183.08086	1.2
183.10410	9.5
183.11771	2.1
184.07617	1.0
185.00865	4.0
185.09433	1.4
185.10776	2.4
185.13170	1.1
186.09171	1.2
186.11491	2.0
187.12262	0.8
187.14890	1.3
194.09601	0.6
196.07578	8.3
197.08334	14.5
198.09087	3.0
198.12784	10.4
199.08635	10.6
199.12401	1.7
200.13062	1.5
206.10568	0.8
208.11128	1.5
210.09126	2.9
210.11510	1.7
211.09883	22.6
212.09326	1.5
213.08273	1.4
213.10223	20.9
214.10960	6.8
215.15546	5.4
215.17552	1.2
225.13821	1.5
226.12259	46.9
227.08102	2.1
227.11749	26.2
227.71045	0.7
228.12558	36.1
229.12904	2.2
239.11784	1.2
241.09773	2.1
242.10521	2.4
243.14928	30.1
244.15279	1.2
253.05003	1.4
253.13425	7.1
253.15764	1.6
254.11775	3.5
254.24812	1.4
255.11270	26.8
256.12061	33.2
257.12469	0.9
269.12762	1.2
271.06006	35.8
271.14392	100.0
271.16867	6.2
271.20483	3.1
271.24118	2.2
272.06171	1.5
272.09048	1.6
272.14609	3.3
272.25833	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	271.1691
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
51.75634	1.1
53.12386	1.0
55.01855	3.1
55.05508	2.3
57.03429	9.7
57.07044	1.3
62.04929	1.0
67.05511	6.8
68.99796	6.6
69.03431	1.2
69.07050	2.7
71.08624	1.4
75.03327	1.1
79.05488	3.4
81.03419	16.9
81.07043	3.9
83.04953	2.2
83.08621	1.2
88.07619	1.6
91.05488	6.8
93.07015	4.0
95.01342	1.1
95.04958	14.7
95.08591	4.9
97.06538	2.1
97.86041	1.2
99.00320	1.1
103.05462	2.8
105.03348	1.5
105.07023	8.4
107.04950	1.7
107.08569	4.0
109.06519	4.5
109.10152	1.5
111.93824	1.1
115.05442	2.4
117.07014	3.9
119.08570	7.2
121.06489	4.2
121.10133	4.8
123.00792	8.5
123.08067	3.1
128.06152	2.7
129.06989	5.7
131.04892	6.4
131.08546	5.1
133.06468	2.5
133.10088	6.8
135.08066	7.3
135.11659	1.7
137.09570	2.5
139.11072	1.4
140.03392	1.3
141.06999	5.9
142.07777	7.6
143.08563	7.8
145.06483	25.4
145.10124	4.8
147.08031	4.6
147.11694	2.4
149.09621	5.1
152.06259	1.3
153.06915	2.7
155.08540	8.5
156.09317	5.2
157.06453	3.8
157.10115	6.7
159.08054	5.7
159.11705	5.5
160.08823	1.2
161.09598	4.5
161.13191	1.1
166.07768	1.8
167.08537	3.7
168.02898	7.8
168.09314	3.4
169.01274	2.6
169.06468	3.9
169.10162	8.2
170.07133	2.5
171.08073	6.3
171.11655	7.3
172.08778	1.8
173.09663	7.4
175.11185	2.5
177.12677	6.2
179.08571	1.5
181.10088	3.9
182.07230	2.9
182.10887	2.8
183.08054	10.5
183.11665	9.8
184.08745	4.7
185.00844	6.6
185.09602	31.8
185.13217	2.8
186.10097	3.7
187.07570	1.6
187.11200	7.3
189.09074	5.0
189.12773	6.1
193.10138	2.1
195.08141	2.3
195.11691	2.2
196.08842	4.6
197.09610	10.5
197.13188	5.8
198.10307	1.9
199.11179	21.2
200.11647	1.4
201.09102	2.7
201.12779	4.1
203.14255	3.3
207.11711	1.7
209.09668	6.1
209.13245	1.5
210.10385	1.4
211.11168	23.6
211.13081	1.5
211.14780	2.6
212.11630	1.4
213.12721	7.4
214.13376	1.3
215.10765	2.1
215.14227	4.3
223.11040	1.9
225.05423	2.2
225.12746	7.8
225.16341	4.5
227.10629	2.4
227.14291	3.9
229.12270	6.4
229.15855	2.3
235.11105	3.8
238.13460	2.4
243.13777	3.2
243.17416	5.1
253.12347	5.7
253.15869	17.7
271.05994	61.9
271.13324	18.6
271.16898	100.0
272.06378	2.8
272.08932	2.2
272.17258	3.6
272.25967	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	271.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05505	6.0
57.03426	3.7
57.07066	2.8
59.18785	0.7
65.03950	0.8
67.05499	8.2
68.99783	6.7
69.03445	1.0
69.07063	11.9
71.05004	0.6
73.74506	0.7
79.05489	6.2
81.02962	1.5
81.03416	19.9
81.07052	22.4
83.04968	1.1
83.08609	4.5
85.06535	3.1
91.05461	7.6
93.06515	1.1
93.07046	10.1
95.04969	10.3
95.08602	23.8
97.06518	2.1
97.10162	1.9
98.12183	0.6
98.22681	1.3
103.05489	1.6
105.07029	12.2
107.04930	1.2
107.08592	11.4
109.06513	22.3
109.10151	11.9
111.08045	0.9
112.22299	0.6
115.05415	1.0
117.07006	3.5
117.17433	0.8
119.08577	12.0
121.06496	3.6
121.10135	10.2
123.00760	1.7
123.08069	2.7
123.11706	5.8
128.06213	1.7
129.07005	3.3
130.07860	1.0
131.04915	1.5
131.08562	8.3
133.06473	4.1
133.10120	13.0
135.08044	6.5
135.11670	3.9
137.09575	0.8
137.13246	21.1
141.06995	1.4
142.07739	1.6
143.08566	6.6
145.06490	4.1
145.10123	12.2
146.07307	0.8
146.10466	0.8
147.08040	11.1
147.11655	6.5
149.09627	2.8
149.13260	5.6
151.14854	1.4
155.08559	5.1
156.09325	1.2
157.10124	8.3
158.10994	1.1
159.08043	4.2
159.11687	9.5
161.09622	8.3
161.13252	5.0
163.11186	1.9
163.14798	2.3
167.02119	1.1
167.08623	0.9
168.02904	3.9
168.09328	1.2
169.10112	5.1
171.07961	0.8
171.11670	7.2
173.09621	5.7
173.13240	6.4
175.11160	5.8
175.14766	3.6
177.12775	1.0
177.16370	9.6
182.10860	1.6
183.11697	6.7
185.00783	5.2
185.09555	1.2
185.13274	2.9
186.10367	1.9
187.11188	6.0
187.14804	7.6
189.12752	4.1
189.16368	13.6
195.11821	0.9
197.13234	6.8
199.11139	0.7
199.14742	4.5
201.12740	8.5
201.16418	3.7
203.14299	1.7
211.14809	2.9
213.12778	1.2
213.16325	4.5
215.14351	6.8
215.17958	2.4
225.16350	5.0
227.17886	3.8
228.15062	0.8
229.15862	1.9
229.19453	1.4
243.17523	2.1
243.21086	5.7
253.05005	0.9
253.19502	10.8
270.31448	1.0
271.05969	18.9
271.17188	3.3
271.20560	100.0
271.23868	3.8
271.31924	1.9
272.06305	0.9
272.09030	1.4
272.20877	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	271.2057
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
55.01663	0.5
55.01871	5.8
55.05500	5.1
57.02801	0.5
57.03429	0.8
57.07051	0.9
62.18341	0.6
63.50363	0.6
67.05502	8.1
68.40832	0.6
68.99786	9.8
69.03422	0.7
69.07066	3.7
69.80667	1.4
69.81062	1.0
71.04997	0.6
73.55411	0.7
77.03944	0.9
79.05105	0.7
79.05497	7.9
81.07051	16.3
83.08600	2.7
87.79197	0.7
90.10015	0.6
91.05470	10.0
93.06441	1.1
93.07033	19.5
95.01337	0.6
95.04944	1.4
95.08595	21.5
95.48209	0.6
97.06490	1.4
97.10165	1.0
103.05441	1.8
105.03392	0.7
105.04483	0.8
105.07022	23.2
105.07735	1.2
107.04960	1.2
107.08585	14.0
109.06481	1.6
109.10158	8.7
111.08069	5.7
117.07021	3.7
119.08578	17.0
119.38234	0.7
121.06493	2.1
121.10133	6.2
123.00740	2.2
123.08039	2.6
123.11684	1.3
125.09597	1.9
125.30590	0.6
128.06207	1.5
129.06973	3.6
130.07768	1.1
131.08563	11.3
133.10117	12.0
135.08070	0.6
135.11664	4.7
136.11240	0.6
137.09586	1.0
139.00224	1.0
139.11172	0.7
140.03419	1.7
141.06987	2.2
142.07750	2.4
143.08548	10.9
144.09294	1.7
145.10114	17.3
147.08037	2.0
147.11668	21.1
149.09576	1.3
149.13234	4.4
153.06949	0.8
154.07840	0.9
155.08543	6.6
156.09377	3.5
157.10123	11.0
158.10774	1.0
159.08092	3.5
159.11676	22.7
160.12268	0.7
161.09590	2.4
161.13246	11.6
163.11214	3.8
163.14767	1.2
166.99718	1.2
167.02113	2.2
167.08626	1.0
168.02901	8.6
168.09370	1.3
169.10120	7.8
170.10847	1.8
171.11678	12.6
172.12325	0.9
173.09671	1.3
173.13240	13.5
174.13577	0.7
175.11151	3.7
175.14777	3.3
177.12718	4.2
179.14319	1.3
181.10146	1.2
182.10878	2.7
183.11678	9.6
184.12410	0.9
185.00798	11.2
185.13226	10.1
187.11168	1.5
187.14822	6.1
189.12746	2.4
191.14256	1.6
195.11746	1.7
196.12413	1.7
197.13242	16.1
198.13971	2.5
199.14789	6.4
201.12709	3.5
201.16370	3.4
203.14342	1.3
209.13208	1.5
210.13995	1.1
211.14806	10.0
213.16388	8.1
215.14278	7.9
215.17967	0.9
216.15018	3.3
223.14774	1.2
224.15530	2.0
225.16360	6.5
227.17911	4.4
229.15820	1.5
229.19548	1.3
238.17119	1.5
240.18803	2.1
241.19514	2.5
243.17409	1.1
243.21109	6.6
253.19493	31.3
254.19914	0.8
271.05981	23.7
271.08517	1.2
271.20538	100.0
272.06470	1.2
272.09061	4.4
272.20880	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	271.2056
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03951	1.7
55.05505	6.0
57.03426	3.7
57.07066	2.8
59.18785	0.7
65.03950	0.8
67.05499	8.2
68.99783	6.7
69.03445	1.0
69.07063	11.9
71.05004	0.6
73.74506	0.7
79.05489	6.2
81.02962	1.5
81.03416	19.9
81.07052	22.4
83.04968	1.1
83.08609	4.5
85.06535	3.1
91.05461	7.6
93.06515	1.1
93.07046	10.1
95.04969	10.3
95.08602	23.8
97.06518	2.1
97.10162	1.9
98.12183	0.6
98.22681	1.3
103.05489	1.6
105.07029	12.2
107.04930	1.2
107.08592	11.4
109.06513	22.3
109.10151	11.9
111.08045	0.9
112.22299	0.6
115.05415	1.0
117.07006	3.5
117.17433	0.8
119.08577	12.0
121.06496	3.6
121.10135	10.2
123.00760	1.7
123.08069	2.7
123.11706	5.8
128.06213	1.7
129.07005	3.3
130.07860	1.0
131.04915	1.5
131.08562	8.3
133.06473	4.1
133.10120	13.0
135.08044	6.5
135.11670	3.9
137.09575	0.8
137.13246	21.1
141.06995	1.4
142.07739	1.6
143.08566	6.6
145.06490	4.1
145.10123	12.2
146.07307	0.8
146.10466	0.8
147.08040	11.1
147.11655	6.5
149.09627	2.8
149.13260	5.6
151.14854	1.4
155.08559	5.1
156.09325	1.2
157.10124	8.3
158.10994	1.1
159.08043	4.2
159.11687	9.5
161.09622	8.3
161.13252	5.0
163.11186	1.9
163.14798	2.3
167.02119	1.1
167.08623	0.9
168.02904	3.9
168.09328	1.2
169.10112	5.1
171.07961	0.8
171.11670	7.2
173.09621	5.7
173.13240	6.4
175.11160	5.8
175.14766	3.6
177.12775	1.0
177.16370	9.6
182.10860	1.6
183.11697	6.7
185.00783	5.2
185.09555	1.2
185.13274	2.9
186.10367	1.9
187.11188	6.0
187.14804	7.6
189.12752	4.1
189.16368	13.6
195.11821	0.9
197.13234	6.8
199.11139	0.7
199.14742	4.5
201.12740	8.5
201.16418	3.7
203.14299	1.7
211.14809	2.9
213.12778	1.2
213.16325	4.5
215.14351	6.8
215.17958	2.4
225.16350	5.0
227.17886	3.8
228.15062	0.8
229.15862	1.9
229.19453	1.4
243.17523	2.1
243.21086	5.7
253.05005	0.9
253.19502	10.8
270.31448	1.0
271.05969	18.9
271.17188	3.3
271.20560	100.0
271.23868	3.8
271.31924	1.9
272.06305	0.9
272.09030	1.4
272.20877	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	272.0918
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
58.97462	0.5
67.01874	0.5
68.99786	3.1
70.00120	0.7
70.02966	0.7
84.04479	1.2
91.05482	1.2
94.02929	1.1
95.01288	4.0
95.08643	0.5
103.05432	1.6
105.06998	0.8
110.94828	0.6
112.03959	3.4
116.98625	0.6
122.02391	1.0
123.00804	1.1
131.04916	1.7
140.03412	29.7
159.12085	0.5
168.02905	100.0
169.03247	0.9
171.07968	0.5
178.01202	0.6
185.00795	1.7
186.01094	1.4
193.10411	0.5
230.08043	1.0
272.06320	6.4
272.09103	46.9
273.09473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
57.22467	0.8
63.73529	0.8
67.01849	1.1
69.27052	6.1
83.05021	0.9
98.23428	2.0
98.97588	2.4
103.59985	0.9
107.96703	0.9
111.81622	0.9
113.63534	0.9
116.98640	1.8
117.07083	0.9
129.98155	1.0
131.08556	1.2
134.27023	1.1
134.99689	1.2
140.03368	0.9
145.10074	1.0
168.02902	2.6
169.03255	1.1
169.67136	0.8
231.06548	1.0
241.05051	1.1
255.13539	4.7
268.93945	1.2
272.25934	1.8
273.06903	2.5
273.14584	100.0
273.26129	2.4
274.14816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.96529	0.6
57.03452	1.0
57.07068	0.7
59.05001	2.0
61.02927	5.5
66.58139	0.5
67.01852	0.7
68.05035	0.7
68.99799	1.1
69.03426	0.6
69.07074	0.8
70.03381	0.6
70.03719	1.3
70.06599	1.3
71.04992	13.7
72.08151	1.3
73.02912	0.7
75.12025	0.5
79.05484	2.7
81.04546	1.0
81.07053	12.8
82.05315	3.8
83.06106	4.0
84.04481	0.8
84.08150	0.7
85.02907	0.9
87.08113	1.3
91.05496	1.2
95.01338	1.0
95.06082	5.5
96.08104	0.8
97.06538	0.9
98.06039	0.6
98.97586	1.9
99.08141	0.8
103.05476	1.3
105.07041	0.6
107.02167	0.5
109.04018	1.3
109.06516	0.7
109.07686	0.5
110.04781	32.5
111.05571	22.2
112.08724	4.6
113.04278	0.6
113.09642	24.0
116.98608	1.3
123.00761	0.7
124.06341	0.9
125.07111	100.0
126.07444	1.1
129.10294	0.7
131.04924	3.4
134.99632	0.7
137.06018	1.1
137.07123	1.4
137.10721	0.8
140.03450	3.3
141.03780	1.9
143.08194	0.8
147.04411	0.6
149.05972	0.9
151.07529	0.6
151.08688	0.7
156.82797	0.7
163.12306	2.0
165.10242	2.0
168.02899	8.8
169.01329	8.1
169.03313	6.2
171.04416	0.7
179.11790	3.6
191.11781	8.1
191.38257	0.6
197.12894	0.8
200.21944	0.6
205.13351	2.5
209.12845	4.4
223.14406	37.1
224.14713	1.5
227.07022	0.6
231.06468	1.2
237.16049	1.0
241.04987	1.1
241.15450	15.9
255.17038	31.1
265.78107	0.6
273.07050	7.7
273.09595	4.7
273.12772	1.0
273.18088	21.3
274.13937	1.2
274.18481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.84859	0.6
53.03928	1.2
55.01624	0.7
55.01864	3.7
55.05510	35.1
57.03427	1.5
57.07065	1.7
59.04995	1.3
59.65559	0.5
65.03931	1.8
66.71342	0.6
67.05162	1.0
67.05499	17.2
69.03424	1.2
69.06709	0.9
69.07066	12.2
69.61453	1.4
69.61864	1.9
71.04969	2.1
77.03962	0.6
79.05045	1.0
79.05491	16.0
81.03422	1.2
81.04548	0.7
81.07053	21.5
83.04965	2.7
83.08615	11.8
85.06525	1.0
87.04463	0.7
91.05476	36.1
91.35527	0.7
92.05802	0.9
93.07043	15.1
95.04977	3.4
95.05504	0.8
95.08604	12.1
97.06511	2.0
97.10182	5.6
98.97535	0.7
99.08055	1.2
101.06029	0.8
103.05430	2.4
105.04475	0.8
105.07027	35.5
106.07346	0.9
107.04947	2.8
107.08583	9.8
109.06506	3.5
109.10131	3.3
111.08069	1.6
115.05444	5.5
116.06237	3.8
117.07018	34.0
119.04969	1.0
119.07743	1.2
119.08573	18.3
121.06470	2.6
121.10156	3.7
123.08043	2.9
125.00027	0.6
125.09602	2.8
128.06198	8.8
129.03413	0.6
129.07001	18.2
130.07790	10.1
131.04922	1.4
131.08563	73.4
132.08864	1.3
133.06482	3.8
133.10115	8.6
135.08041	2.8
135.11636	1.7
137.09592	1.2
141.06967	2.9
142.07755	2.9
143.08556	60.0
144.09358	3.4
145.06454	1.9
145.10114	76.2
146.10489	1.9
147.08054	7.8
147.11641	2.6
149.09595	2.3
149.13222	1.2
155.06012	1.0
155.08531	3.0
156.09293	1.0
157.06502	0.8
157.10121	17.6
158.10875	1.2
159.08066	4.3
159.11691	17.5
161.09625	7.7
161.13271	1.5
163.11208	1.9
165.06961	1.1
165.12741	0.9
167.08519	1.3
168.02937	0.9
169.10114	9.6
171.07961	1.0
171.10349	1.2
171.11691	12.8
173.09621	1.5
173.13301	4.2
175.11166	3.5
176.11964	0.7
177.09065	0.7
177.12759	1.8
180.09340	1.3
181.10143	4.5
183.11684	2.7
185.09656	1.6
185.13277	4.7
187.11108	1.4
187.14738	0.8
189.12733	1.6
195.11707	8.7
199.11177	2.3
199.14838	1.7
201.12659	1.1
209.13263	2.1
211.14734	1.6
212.65532	0.6
213.12738	2.4
213.16415	0.8
215.14334	1.2
227.17899	5.3
229.15900	1.0
231.17546	0.9
237.16364	14.9
245.18983	2.6
255.17439	18.0
255.21033	2.0
273.18460	100.0
274.18851	4.0
274.27356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03929	1.9
54.77046	1.3
55.01875	2.5
55.05508	12.0
57.03447	2.2
57.07071	3.8
58.30094	1.4
64.16389	1.4
65.03951	1.5
67.01861	1.6
67.05505	24.4
68.78513	1.6
69.03429	2.5
69.07069	12.1
70.06591	2.5
71.08607	1.7
71.43290	2.2
79.05492	18.8
81.03403	2.4
81.07056	21.1
83.04986	4.5
83.08611	5.5
85.06541	1.9
88.07626	2.5
90.19165	1.5
91.05479	33.1
93.07047	20.7
95.04970	15.8
95.08595	17.3
97.06512	2.6
97.10142	1.7
98.97527	1.4
103.05479	3.3
105.03418	1.7
105.07027	31.3
107.04946	9.6
107.08591	13.4
109.06524	7.7
109.10162	5.8
111.08033	2.8
115.05414	2.4
116.06242	1.9
116.98649	2.0
117.07003	14.1
119.08575	23.6
121.06506	9.8
121.10132	5.4
123.08080	6.0
123.11763	1.5
125.13715	1.4
128.06218	4.6
129.06985	9.8
130.07765	2.7
131.08557	27.9
132.12997	1.5
133.06488	6.5
133.10114	14.8
135.08044	8.2
135.08932	1.7
135.11710	2.6
137.09662	5.0
142.07793	4.1
143.08540	13.2
145.06512	3.7
145.10117	25.9
146.07333	1.4
147.08061	10.8
147.11684	7.2
149.09628	6.0
149.13303	1.4
155.08562	2.6
157.10139	12.7
159.08095	3.7
159.11670	10.9
161.09598	17.1
161.13245	2.1
163.07578	1.9
163.11200	2.8
163.14847	1.5
168.02936	5.3
169.03314	2.8
169.10129	3.0
171.11650	9.0
173.09636	3.9
173.13342	3.7
175.11186	6.1
181.10098	3.0
185.09653	2.8
185.13138	3.4
187.11226	2.9
189.12752	3.6
195.11671	2.6
199.11214	3.1
199.14886	3.1
212.23834	1.6
213.12723	3.1
217.15887	1.8
227.17981	6.5
231.06541	1.6
237.16373	4.9
241.04958	3.1
243.30016	1.3
245.18976	7.7
255.17456	12.9
255.21030	3.2
256.17755	1.7
272.29526	3.5
273.07178	5.2
273.09857	2.1
273.18506	100.0
273.21988	6.5
273.29813	12.7
274.18771	3.1
274.27405	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	1.7
55.01855	3.2
55.05505	13.8
57.03431	5.7
57.07070	1.0
65.03924	1.7
67.01846	1.7
67.05499	16.6
68.66486	0.9
68.99757	1.1
69.03424	2.1
69.06712	1.2
69.07068	14.6
70.49947	2.0
71.04970	2.5
79.05490	18.3
81.03398	2.1
81.07056	20.6
83.04961	2.6
83.08611	7.1
85.06519	2.7
91.05477	39.9
93.07038	18.0
95.04963	5.2
95.08606	13.1
97.06513	3.8
97.10167	3.2
98.97551	1.3
99.08084	1.4
99.63227	1.1
103.05466	2.9
105.04492	1.2
105.07024	36.8
107.04953	4.9
107.08580	13.2
109.06504	4.9
109.10140	6.1
111.08082	1.4
115.05453	5.7
116.06261	4.0
116.98621	1.2
117.07010	37.7
119.04984	1.2
119.08575	25.5
121.06514	5.6
121.10116	5.2
123.08067	2.8
123.11643	1.1
125.09614	3.0
128.06227	4.7
129.06999	16.0
130.07794	5.9
131.04955	1.4
131.08560	50.1
133.06479	8.6
133.10129	13.9
135.08028	7.0
135.11731	3.1
137.09590	2.4
141.03709	1.4
141.06990	2.3
142.07762	3.1
143.08553	19.5
144.09367	2.4
145.06471	4.2
145.10118	49.1
146.10506	1.7
147.08038	16.7
147.11691	7.0
148.07463	1.2
149.09636	4.6
149.13184	2.0
151.11162	1.3
155.08557	3.6
156.09360	1.8
157.10112	21.0
158.10826	1.2
159.08080	3.7
159.11688	19.8
161.09586	15.3
161.13263	3.0
163.11195	3.1
167.08591	1.5
168.02943	2.8
169.03281	3.4
169.10123	4.1
171.08134	1.5
171.11665	13.7
173.09624	3.6
173.13228	5.0
175.11143	7.4
175.14857	2.5
177.12851	1.1
181.10147	1.4
183.11696	3.1
185.09584	3.2
185.13240	5.0
187.11214	4.1
187.14815	3.0
189.12708	2.1
195.11716	4.1
197.13181	1.6
199.11157	3.6
199.14850	4.4
201.12784	3.0
209.13214	2.3
210.88423	1.0
211.14909	1.7
213.12729	2.5
213.16367	3.2
217.12161	1.3
217.15901	4.0
227.18019	6.0
231.17340	1.6
237.16357	6.9
245.19035	9.6
255.17407	13.3
255.21072	4.2
273.07324	3.3
273.18500	100.0
273.22021	9.6
273.26239	3.1
274.18802	2.9
274.27521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22868	0.2
58.06584	1.9
60.05639	1.0
61.59206	0.3
69.48096	1.2
70.06588	7.3
71.04977	1.3
72.08147	0.6
84.08137	1.4
86.58475	0.2
88.07609	0.5
95.06065	0.4
112.08719	3.7
112.73437	0.3
116.10722	20.5
117.11042	0.4
121.30755	0.2
130.09761	12.3
130.10686	0.5
130.12263	0.3
131.12920	0.8
144.10185	100.0
145.10556	1.4
195.79680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83372	0.4
58.06594	1.6
60.05630	1.1
62.55530	0.3
65.95471	0.4
67.21306	0.4
70.06587	8.5
70.13245	0.3
71.04978	1.7
84.08137	0.9
84.15936	0.4
95.06055	0.4
96.02312	0.4
96.65095	0.3
98.23530	0.8
102.93227	0.4
107.25719	0.4
112.08721	3.8
116.10720	14.9
130.09752	13.1
130.10652	0.5
144.10182	100.0
145.10519	1.3
204.41069	0.4
235.46584	0.4
245.11269	0.4
246.31828	0.4
273.07428	0.4
292.58347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
53.03928	1.7
55.01871	6.0
55.05505	19.3
57.03446	2.1
57.07059	3.5
65.03968	1.7
67.01865	1.9
67.05499	31.7
68.99800	1.4
69.03418	3.6
69.07069	15.1
69.78501	1.3
71.04980	4.1
77.03882	1.3
78.30569	1.4
79.05486	22.6
81.03414	4.0
81.07050	38.5
83.04996	3.3
83.08611	8.7
85.06523	1.8
88.07598	2.0
88.90414	1.4
89.32297	1.4
91.05473	36.1
93.07039	34.6
95.04969	11.6
95.08600	44.4
97.06528	9.4
97.10174	15.7
98.96664	1.6
99.08119	1.5
103.05477	2.7
105.04482	2.6
105.07023	49.7
105.07735	2.5
107.04934	8.7
107.08583	28.8
109.06525	11.3
109.10146	22.5
111.04419	1.4
111.08109	4.8
115.05451	1.7
116.06242	2.8
117.07007	17.1
119.04929	2.3
119.08567	44.8
121.06502	14.7
121.10136	20.0
123.08045	6.8
123.11703	7.9
125.09625	3.1
128.06255	3.6
129.06973	10.5
130.07770	2.6
131.08562	29.9
133.06491	8.9
133.10121	27.8
135.08038	12.1
135.11694	8.8
137.09566	7.0
137.13300	3.9
141.06929	1.8
142.07790	3.6
143.08556	17.7
144.09351	2.6
145.06444	3.2
145.10112	34.5
147.08049	13.2
147.11676	27.5
149.09601	5.9
149.13261	13.0
151.11206	4.7
155.08516	3.0
156.09286	2.7
157.10135	19.4
158.10831	1.8
159.08081	4.6
159.11687	31.0
161.09631	14.3
161.13255	14.7
163.11192	5.5
163.14844	7.9
169.03436	1.7
169.10118	3.4
171.11668	18.3
173.09637	4.4
173.13237	17.7
175.11192	6.8
175.14801	11.0
177.12729	4.2
177.16429	2.9
181.10170	2.7
185.09561	2.5
185.13232	13.4
187.11197	3.1
187.14854	5.7
189.12779	5.9
189.16399	4.5
191.14273	7.3
195.11719	2.0
199.11116	1.7
199.14772	12.1
201.16377	4.1
203.14331	6.8
203.17928	2.8
211.14804	2.1
213.12749	2.7
213.16377	7.4
215.17920	12.5
217.15862	3.3
218.53070	1.5
227.17920	7.5
229.19450	9.9
231.06551	1.7
231.17336	2.1
237.16319	2.9
245.19038	7.9
245.22717	3.6
255.17471	11.8
255.21037	39.3
273.07388	3.5
273.18491	100.0
273.22119	96.3
273.29907	2.6
274.18826	4.2
274.22531	3.7
274.27365	8.0
278.03452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69139	0.2
61.71661	0.2
67.32782	0.2
69.25301	1.5
81.93204	0.2
90.05553	0.5
103.05485	0.3
105.07067	0.3
105.90476	0.2
107.52133	0.3
109.02927	0.4
115.05437	0.8
117.05753	3.6
125.31107	0.2
130.06520	36.6
131.06842	0.7
132.08080	1.0
140.04938	1.0
142.06548	2.2
156.06812	2.7
157.07602	100.0
158.06038	1.5
158.08000	2.2
159.07965	0.2
159.09172	3.5
167.05983	0.7
185.07089	52.3
186.07465	1.3
186.64066	0.3
274.11844	5.2
274.27582	0.3
278.22137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.96563	2.2
57.03423	0.3
60.05644	1.0
61.01137	0.4
61.02911	0.8
68.05022	1.3
69.03426	1.5
69.96176	0.3
70.06585	3.7
70.65523	0.6
70.98121	0.7
71.05021	0.2
72.08154	6.4
73.02901	0.4
80.29653	0.3
81.03407	0.8
83.06097	4.7
84.08141	1.6
85.02891	2.8
86.09686	1.4
87.04482	0.6
87.10028	0.3
91.03938	0.3
95.06084	47.8
96.06420	0.4
96.87214	0.3
97.02887	1.0
98.97554	2.5
101.00887	0.8
109.02843	0.4
112.08720	100.0
113.07117	3.5
113.08350	0.5
113.09060	0.8
114.10284	0.3
116.07106	0.9
116.98633	2.1
119.01908	2.8
121.01650	0.4
125.07109	0.5
127.03897	0.6
131.12936	0.5
132.11346	0.5
134.99678	0.9
136.04616	0.4
137.02968	1.0
142.09749	0.4
142.62329	0.3
143.01851	0.7
144.10199	4.5
145.03481	0.5
145.04822	0.3
158.09251	0.4
159.04970	0.6
160.02754	0.4
161.02936	0.7
162.06046	0.3
163.04494	0.3
169.03297	0.3
171.14986	0.8
172.97606	0.6
175.11916	2.6
177.00900	0.6
177.06120	0.4
178.01202	0.3
186.09700	0.7
187.04504	0.5
189.02626	0.3
190.95045	0.3
190.98596	1.3
203.02408	0.4
205.03696	0.4
208.96013	0.7
214.09258	0.4
218.98285	0.4
219.01932	0.7
220.02162	1.1
221.01855	0.5
232.10393	0.7
232.96071	0.5
233.03297	0.6
233.05573	0.8
233.10492	0.7
236.99191	0.3
250.97084	0.5
256.13007	0.8
257.16074	0.4
261.03052	0.6
273.97336	0.8
274.13962	17.4
274.18576	4.6
274.27441	0.9
274.97250	2.6
291.98315	0.9
292.10577	0.4
292.98499	0.7
293.18463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74160	3.0
55.93523	3.3
56.96564	53.7
61.02925	4.8
69.42204	15.8
70.06582	11.8
70.95856	9.8
70.98119	26.7
72.08149	23.7
73.02923	4.7
81.03427	4.8
82.82528	3.0
84.04501	7.1
84.08144	24.7
85.02895	3.8
85.39400	3.1
86.09702	5.0
88.99162	7.3
95.06099	67.8
96.06406	11.9
98.23441	5.9
98.97580	74.6
101.00884	25.1
103.02399	4.0
110.97565	4.7
112.08010	5.3
112.08736	62.1
113.00023	7.7
113.00866	3.8
113.07127	90.2
113.08367	4.5
113.09079	23.7
116.98616	44.6
117.04010	8.2
119.01916	100.0
121.01720	3.9
123.01414	3.3
125.07144	23.5
128.98607	6.3
129.10249	5.8
131.01909	18.5
131.06355	3.4
132.11311	17.3
134.99643	17.4
136.74210	3.2
137.02927	19.0
142.20163	3.1
142.71283	2.9
143.01880	10.3
144.02658	3.3
144.10197	50.6
145.03465	27.7
146.99721	9.2
154.96577	3.8
155.01878	6.6
159.05022	28.5
161.02945	18.3
163.04512	5.2
165.00636	4.4
169.03471	3.8
169.09583	3.6
172.94411	3.9
172.97591	18.2
173.02908	6.7
175.11923	4.4
177.00960	20.9
177.02374	4.5
177.06107	11.9
179.00873	5.2
185.02969	8.4
187.04544	13.3
189.02461	17.9
190.95082	4.7
190.98618	53.3
191.00226	5.6
203.02498	13.5
203.04039	10.2
205.05592	6.1
207.03380	5.8
208.95976	10.6
208.99669	10.4
213.02414	8.4
218.98163	10.0
219.02040	13.3
220.02144	5.3
221.01431	5.6
221.03175	5.1
224.04552	4.9
231.03539	8.4
232.96135	14.0
232.99550	19.3
233.01634	4.9
233.05521	3.8
235.04442	7.3
236.99156	4.3
238.03235	4.2
250.97032	7.0
251.00749	11.3
251.02827	7.7
256.96347	7.5
261.03006	29.7
274.18750	4.7
274.97287	74.1
275.04596	19.9
275.11029	25.1
275.14209	8.0
292.98325	37.3
293.03177	8.0
293.05887	6.6
293.10699	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	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.3
57.03435	0.4
60.04524	0.4
60.05648	0.4
61.02919	0.6
69.03439	0.3
69.61676	0.9
70.06570	0.5
70.95853	1.4
72.08141	1.2
72.48805	0.4
73.06530	0.6
83.06103	0.6
84.06421	0.4
84.08128	4.6
85.02896	0.8
85.08714	0.3
86.09706	0.4
95.06079	5.8
96.05810	0.7
96.06393	3.3
97.02897	0.6
97.06488	0.5
98.97572	5.8
101.00855	3.0
107.00047	0.4
111.05536	0.6
112.08715	7.8
112.99996	1.3
113.00797	0.5
113.07115	4.5
113.08385	0.9
113.09060	5.4
116.98611	3.9
117.04026	0.5
119.01905	9.2
125.07116	1.0
127.02422	0.4
129.10211	0.5
131.01883	2.2
132.11308	4.7
134.99626	1.6
135.32626	0.4
137.02919	1.7
143.01868	1.8
144.10185	15.1
145.03441	2.9
147.11266	0.5
155.01854	1.1
157.03452	0.4
159.05031	1.8
161.02959	3.5
163.04492	0.9
173.02948	1.2
173.06665	0.6
176.12303	0.6
177.00948	1.3
177.06042	0.8
179.00655	0.5
185.02840	0.4
185.06618	0.8
187.04497	1.3
189.02428	1.1
190.94954	0.8
190.98579	1.2
191.07765	0.4
203.02406	0.9
203.04015	0.9
205.03526	0.4
205.05478	0.6
207.03467	0.5
208.95923	1.4
212.17609	0.4
215.04037	0.4
219.01709	0.5
220.02164	1.0
221.01703	0.9
221.05038	1.0
231.03519	1.1
232.95975	1.7
233.96556	0.4
235.04491	1.7
239.03839	0.5
250.97028	0.9
256.96509	0.9
261.03018	0.7
274.97314	6.7
275.05002	2.1
275.10983	100.0
275.97086	0.4
276.11224	2.1
276.16663	0.5
292.98425	3.2
293.05453	0.8
293.10715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.5
62.83051	0.4
69.87355	0.3
70.06584	0.6
70.70193	0.7
70.95856	1.0
70.98120	0.6
72.08116	0.7
78.98347	0.4
83.06073	0.5
84.08141	2.6
86.09700	0.4
88.99173	0.4
95.06084	2.7
96.06419	1.5
97.02879	0.4
97.06549	0.6
98.97581	4.9
101.00884	3.7
102.13287	0.4
112.08713	3.7
112.99995	1.1
113.00787	0.7
113.07133	2.6
113.08390	0.6
113.09074	2.9
115.02386	0.6
116.98605	3.3
117.03963	0.7
119.01917	9.5
120.02007	0.5
125.07113	1.1
129.10219	0.5
131.01897	1.1
132.11322	1.3
133.03415	0.5
134.99666	1.3
136.99446	0.4
137.01981	0.4
137.02940	1.9
143.01866	2.3
144.10194	4.8
145.03455	2.9
155.01854	0.5
159.05019	3.0
161.02974	2.6
169.03400	0.5
173.02946	0.9
177.00897	1.6
177.06071	1.0
185.02922	0.9
187.04562	1.1
189.02438	1.1
190.94904	0.8
190.98630	0.9
203.02498	1.1
203.04068	1.3
207.03523	0.9
208.95978	1.1
213.02478	0.5
219.01881	0.5
220.02217	0.6
221.03137	0.8
221.05099	0.9
229.02335	0.4
231.03558	0.9
232.96048	1.5
235.04556	1.2
238.03249	0.5
250.97046	1.1
256.96292	0.5
274.97281	6.0
275.04984	2.4
275.11002	100.0
276.11298	2.9
292.98380	2.4
293.05533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	1.8
55.01865	6.5
55.05506	28.1
57.03431	3.1
57.07052	1.8
67.05499	32.7
69.07063	12.4
69.24064	6.2
69.42609	1.1
71.04969	3.4
77.03923	1.8
79.05486	45.6
81.03401	1.3
81.07053	28.3
83.04958	3.1
83.08619	6.9
85.06537	1.2
91.05470	48.0
92.05776	1.1
93.07040	30.6
95.04984	7.3
95.08595	16.2
97.06530	5.6
97.10159	3.6
99.71216	1.0
103.05453	2.4
105.04501	1.3
105.07021	66.4
107.04952	22.6
107.08578	29.6
109.06486	3.8
109.10157	14.1
111.08095	2.9
115.05432	1.8
116.06258	1.0
117.07009	13.3
119.08568	36.5
121.06470	2.7
121.10148	10.6
123.08090	2.6
123.11688	3.8
125.09662	5.1
129.06982	3.1
130.07872	1.0
131.08551	18.9
133.10123	39.3
135.08012	5.4
135.11670	3.7
137.09596	1.9
141.06891	1.3
143.08525	2.8
145.10106	13.6
147.11661	21.7
149.09605	39.2
151.75929	0.9
153.09126	1.9
155.08598	1.2
157.10062	2.8
159.11673	11.6
161.09593	1.3
161.13246	8.1
163.11162	2.8
169.10182	1.6
171.11702	3.6
173.11700	2.6
173.13232	4.0
175.14845	1.5
177.12726	2.1
183.11673	2.8
187.11169	2.0
193.12267	1.1
197.13300	1.7
201.16350	1.4
203.14288	1.2
215.17944	2.4
219.17427	3.7
229.19540	6.7
229.86353	1.1
233.15321	1.5
239.17928	3.0
247.20625	2.3
257.18961	15.2
274.27350	1.3
275.04974	1.4
275.20035	100.0
275.27802	5.6
276.20349	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	0.6
55.01862	3.6
55.05506	14.6
56.64450	0.5
57.03422	1.0
57.07073	0.7
58.44570	0.5
62.83170	0.7
65.03941	1.9
67.05499	21.2
69.03431	1.5
69.06712	0.9
69.07063	10.8
69.16034	0.6
71.04980	2.7
79.05486	23.3
81.03399	1.1
81.07050	26.5
82.07378	0.8
83.04967	2.7
83.08613	6.3
85.06537	2.1
91.05471	42.8
93.07034	19.6
95.04955	6.1
95.08596	12.4
95.09199	0.6
97.06529	3.1
97.10149	2.4
98.97584	1.3
103.05457	2.2
105.04508	1.2
105.07021	56.7
107.04935	4.5
107.08585	16.6
109.06498	6.5
109.10145	6.8
111.08061	1.4
115.05477	0.9
116.98575	0.7
117.06271	1.1
117.07014	10.5
119.08568	36.1
121.06513	3.5
121.10133	8.9
123.08073	3.3
123.11667	2.3
125.09623	1.8
128.06140	0.7
129.06950	3.2
130.07730	1.3
131.07669	1.0
131.08566	14.0
133.06499	1.5
133.10115	37.9
135.08029	4.3
135.11681	4.4
137.09586	3.8
139.11150	0.8
141.06966	1.3
143.08551	3.1
144.09247	0.7
145.10112	14.4
147.08046	1.5
147.11676	17.7
149.09595	8.4
149.13242	3.3
151.11179	2.0
155.08537	1.8
157.10109	3.6
159.08063	0.7
159.11665	10.7
161.09628	2.4
161.13234	6.3
163.11215	3.3
163.14789	0.6
165.09134	0.9
165.12685	0.9
167.10600	0.7
169.10127	2.0
171.11623	3.6
173.09604	1.3
173.13249	5.4
175.11171	1.9
175.14818	1.9
176.11523	0.6
177.12727	1.3
183.11670	1.5
185.13252	0.7
187.11189	1.7
187.14777	1.4
189.12656	0.9
197.13257	1.5
199.14806	0.8
201.12743	1.7
203.14267	0.8
211.14835	1.1
215.14259	1.5
215.17888	1.5
229.19456	2.3
233.15250	1.1
233.19020	1.5
239.17889	4.4
247.20525	3.7
253.11244	0.8
257.18961	8.2
275.20029	100.0
276.20572	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90306	0.6
53.03939	1.5
55.01872	6.2
55.05257	1.3
55.05509	17.6
57.03424	1.1
65.03940	2.1
67.05161	1.2
67.05502	20.6
69.07063	13.0
71.03802	0.8
71.04134	0.9
71.04984	2.2
75.14862	0.7
79.05043	1.2
79.05492	22.0
81.03416	0.8
81.07055	36.7
83.04977	2.1
83.08615	5.1
85.06530	1.6
91.05478	55.2
93.07042	20.6
95.04972	5.0
95.08605	16.1
97.06526	10.3
97.10168	3.3
100.12720	0.8
103.05467	3.3
104.06300	1.0
105.07027	100.0
106.07357	0.8
107.04932	3.7
107.08594	11.1
109.06512	3.1
109.10155	4.4
111.08031	1.2
117.07026	10.6
119.08575	40.8
121.06498	2.1
121.10121	5.2
123.08059	2.6
123.11700	1.5
125.09644	1.8
129.07039	1.8
130.07796	1.1
131.08560	18.4
133.10124	55.5
135.08025	1.9
135.11662	4.0
137.09598	1.1
141.06934	0.9
143.08551	2.7
145.10127	14.3
147.11679	20.6
149.09607	3.1
149.13220	1.2
151.11168	2.0
155.08513	1.2
157.10124	2.7
159.11678	9.7
161.13260	3.2
163.11171	2.1
165.09123	0.9
171.11688	2.4
173.13266	6.0
175.11267	0.8
179.14265	1.3
183.11658	1.7
187.14677	0.7
193.12227	0.7
197.13251	2.1
204.91783	0.8
219.13745	0.8
229.19481	6.0
239.17935	2.4
247.16916	1.3
247.20587	2.5
255.43214	0.7
257.18951	6.3
275.20059	79.3
275.27740	2.1
276.20349	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03935	1.1
55.01868	1.5
55.05265	1.0
55.05509	15.9
57.00769	0.9
57.03424	1.5
57.07067	1.9
65.03926	1.4
67.05502	23.2
69.07069	10.7
69.22794	2.1
69.23186	4.9
71.04997	1.4
71.98607	0.8
79.05048	1.8
79.05492	27.0
81.07053	20.4
83.05006	2.1
83.08605	3.0
91.05477	45.9
93.07044	19.5
95.04964	5.2
95.08610	12.8
97.06519	2.5
97.10169	1.9
103.05441	1.6
105.07026	53.8
106.07336	1.1
107.04948	2.9
107.08588	12.6
109.06514	3.0
109.10179	6.1
111.08098	1.0
117.07020	13.2
119.08576	41.6
119.79665	1.1
121.06500	3.2
121.10116	7.5
123.08125	2.1
123.11734	1.6
129.07004	3.0
131.08556	18.1
133.10121	39.7
135.08023	3.3
135.11711	5.2
137.09618	2.1
141.07045	1.4
143.08556	2.2
145.10115	11.1
147.08069	1.0
147.11684	25.8
149.09584	7.8
149.13196	1.8
155.08511	1.5
157.10095	2.6
159.11682	9.7
161.13280	6.4
163.11156	2.1
169.10132	2.2
171.11684	2.7
173.13234	9.3
175.11169	1.9
175.14725	1.1
183.11658	2.1
187.11298	1.3
187.14825	2.4
197.13264	2.7
205.12410	0.9
219.13669	1.1
229.19444	3.5
233.15443	1.8
239.18001	3.0
247.20699	4.6
256.88089	0.9
257.19058	4.6
270.96475	1.0
275.20053	100.0
276.20407	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	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01856	1.2
55.05506	13.6
57.03434	1.2
57.07071	1.9
65.03931	1.7
67.05497	26.1
69.07057	10.0
71.04976	3.5
73.06522	1.1
74.10809	0.8
77.03901	1.7
79.05043	1.6
79.05484	29.6
81.07046	22.2
81.79425	0.8
83.04967	1.5
83.08595	4.0
85.06530	1.9
91.05470	54.8
93.07034	25.1
95.04966	4.9
95.08600	14.5
95.24370	0.9
97.06517	2.3
97.10154	1.6
102.43516	0.8
103.05465	2.2
104.06221	1.0
105.07018	65.3
107.04945	1.7
107.08575	13.7
109.06490	2.0
109.10155	7.6
113.92080	0.7
115.05456	1.8
117.06995	14.6
117.88340	0.8
119.08569	48.5
121.06492	2.5
121.10149	7.1
123.08073	2.0
123.11706	1.3
125.09550	1.1
127.13881	0.8
129.06970	3.4
130.07799	1.3
131.08549	18.6
133.06502	1.2
133.10112	42.2
134.10417	1.5
135.08026	3.7
135.11673	4.2
137.09576	4.6
141.06947	1.0
143.08565	3.3
145.10123	14.4
147.07988	1.8
147.11656	26.1
149.09593	6.7
149.13257	1.6
155.08524	2.1
157.10104	2.0
159.11661	11.1
160.12483	0.9
161.13249	8.4
166.92995	0.9
169.10100	1.8
171.11671	3.4
173.09773	1.1
173.13220	11.4
175.11157	2.0
175.14789	2.0
183.11682	1.6
187.11087	0.9
187.14787	2.8
189.12711	1.0
197.13213	3.8
201.12805	1.0
205.12080	0.9
215.17743	1.0
219.13843	1.3
229.19519	3.0
239.17924	3.2
247.17050	0.9
247.20535	5.2
257.19034	5.5
275.20035	100.0
276.20419	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
54.03679	1.7
55.01877	3.6
55.05507	12.2
57.03431	2.2
58.19481	1.9
65.03949	1.9
65.32767	1.9
67.05502	21.8
69.07081	11.3
70.66260	3.3
71.04995	3.1
72.08167	1.9
79.05494	27.6
81.03410	3.0
81.07065	26.4
83.04996	3.3
83.08592	4.1
91.05476	41.5
93.07042	23.0
95.04971	5.3
95.08606	15.5
97.06526	5.6
97.10160	2.7
98.97577	7.7
103.05450	1.8
105.04488	2.3
105.07026	60.7
107.04936	2.5
107.08593	21.9
109.06536	3.3
109.10156	7.2
111.08088	2.6
115.05476	1.9
116.98595	3.6
117.07008	11.4
119.08579	37.8
121.06532	5.8
121.10137	10.0
123.08060	3.0
123.11739	3.6
129.06992	3.5
131.04936	1.8
131.08560	16.9
133.10120	42.7
134.99686	2.6
135.08040	5.6
135.11711	2.7
137.09639	4.8
141.07001	1.8
143.08577	4.0
145.10143	15.2
147.08023	2.4
147.11684	23.9
149.09634	6.7
151.11200	5.1
157.10135	4.3
159.08083	8.5
159.11685	10.9
161.13269	8.5
163.11198	6.4
165.09004	3.4
165.12891	2.9
169.10118	4.5
171.11696	3.7
173.13350	3.9
177.12749	3.4
183.11734	3.6
187.11169	3.6
229.19560	4.8
239.17963	4.0
247.20700	2.6
257.15219	3.0
257.18988	12.0
274.97458	4.1
275.04816	2.1
275.16241	29.4
275.20071	100.0
276.20389	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03937	1.6
54.01772	0.8
55.01859	2.2
55.05510	21.0
57.03424	2.3
57.07060	3.4
58.13044	1.0
59.39206	0.8
65.03938	2.0
67.05163	1.6
67.05504	24.9
69.06719	1.0
69.07064	13.5
69.75760	3.6
70.06595	4.9
71.04975	3.2
71.06909	1.6
71.08633	1.4
76.82059	0.9
77.03918	1.5
79.05492	25.4
81.03407	1.3
81.07055	30.8
83.04965	4.0
83.08610	5.3
84.68825	1.0
85.06519	1.8
88.07641	5.5
89.07942	1.5
91.05474	49.9
93.07040	25.1
95.04981	5.4
95.08598	19.8
97.06527	2.0
97.10148	3.2
98.23428	1.1
98.97548	1.1
99.27836	0.9
102.09171	1.9
103.05450	2.6
104.06235	1.0
105.07026	69.9
106.07367	1.1
106.08642	2.6
106.84796	1.0
107.04978	5.7
107.08578	18.8
109.06498	7.6
109.10151	8.4
111.08106	1.7
115.05415	1.1
117.07018	12.1
117.17603	0.9
118.07777	1.3
119.08574	47.2
121.06509	4.3
121.10139	11.2
123.08086	5.0
123.11692	1.7
124.87510	1.0
125.09603	1.4
129.06976	2.9
131.07658	1.5
131.08560	19.0
132.09349	1.1
133.06433	1.5
133.10121	51.7
134.10527	1.5
135.08051	6.1
135.11659	5.9
137.09647	2.3
141.06941	1.7
143.08545	4.2
145.10115	18.1
146.10811	1.1
147.08174	0.9
147.11678	27.2
148.12016	1.4
149.09593	8.1
149.13268	3.1
151.11214	2.1
155.08578	2.0
157.10098	3.0
159.11687	12.9
161.09586	1.6
161.13248	7.3
163.11165	3.6
165.12729	1.2
169.10152	1.6
171.11670	3.2
173.13234	13.4
175.11159	2.5
175.14806	2.1
177.12730	1.9
183.11719	2.6
185.13197	1.5
187.11185	1.8
187.14822	2.1
197.13257	1.4
199.14902	1.8
199.64630	1.1
201.16476	1.4
207.22121	1.0
209.43094	1.0
211.14775	1.0
215.14316	1.0
215.17944	1.3
229.19502	12.2
239.17911	5.6
247.20567	3.9
256.26120	1.0
257.18964	9.8
274.27435	9.1
275.16458	3.1
275.20059	100.0
275.27722	42.3
276.20404	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	275.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
58.06586	1.3
60.03973	0.2
60.05648	1.6
62.65193	0.3
69.14426	1.8
69.14821	0.5
72.08141	0.6
73.06556	2.6
81.56911	0.3
84.08136	1.5
85.82251	0.3
90.09164	1.7
93.10964	0.3
95.06092	1.9
104.14628	0.2
113.07127	7.6
116.10725	1.2
119.90456	0.3
131.12921	0.3
132.10292	1.2
132.11320	23.2
144.10194	100.0
145.10519	2.5
146.10655	0.8
184.93095	0.3
275.12582	0.4
275.20728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2369
Annotation	Androstenol
Peak:m/z	Relative Intensity
55.05507	15.5
57.03430	1.9
57.07075	3.4
67.05505	29.0
69.03430	1.7
69.07066	20.2
69.07410	2.6
71.04992	1.8
79.05496	15.4
81.07053	55.4
83.08617	12.2
83.97171	1.6
85.06544	2.2
91.04929	2.5
91.05468	22.8
93.07039	31.8
93.07607	2.2
95.04963	3.4
95.08605	55.1
95.09218	2.8
97.06538	6.2
97.10146	9.0
98.97597	2.9
99.08080	10.6
105.04531	1.6
105.07022	39.9
107.04947	1.7
107.08050	0.9
107.08586	40.7
109.10148	50.2
111.08094	2.1
111.11707	3.4
117.07000	8.8
119.08566	34.4
121.06487	1.3
121.10147	30.0
123.08100	2.6
123.11690	22.0
125.09628	3.4
128.06229	1.4
129.06999	1.8
130.01044	1.4
131.04909	3.3
131.08574	12.3
132.09271	1.4
133.10121	25.5
135.08115	1.7
135.11678	23.9
137.09756	1.4
137.13249	6.6
139.11180	2.8
139.13190	1.6
141.12743	1.6
144.36815	1.5
145.10133	17.1
147.11673	28.4
149.09651	2.0
149.13251	29.6
151.11179	3.9
157.10103	1.5
159.11665	16.5
161.13245	29.8
163.14801	43.4
165.12712	4.7
167.14223	2.0
171.11665	1.5
173.13245	15.6
175.14803	17.9
177.12788	1.7
177.16417	7.0
179.14278	7.6
187.14796	15.4
189.16365	6.3
193.15866	3.4
201.16359	15.8
203.18051	2.2
205.15900	4.9
215.14380	1.7
215.17935	4.5
217.19580	2.5
219.17416	2.2
223.41318	1.7
229.19556	5.3
231.21045	4.4
257.18814	2.9
257.22626	57.3
258.22983	1.6
275.17053	3.0
275.20129	34.7
275.23709	100.0
276.20703	2.5
276.24011	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	275.237
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
52.71465	0.8
55.01871	1.6
55.05510	9.3
57.07064	3.6
65.03928	1.0
67.05499	15.9
69.07067	14.3
69.31812	2.6
69.32204	1.5
70.06577	2.3
71.04995	1.7
71.06894	0.7
75.85686	0.8
79.05486	13.7
81.07054	45.9
83.08620	6.8
85.06540	4.5
88.07632	3.5
91.05480	13.1
93.07041	23.5
93.07608	1.7
95.04964	1.9
95.08602	42.3
97.06525	4.3
97.10174	4.0
98.97609	1.4
99.08087	3.7
103.05433	1.4
105.04540	1.0
105.07025	28.7
106.08643	2.0
107.04939	1.4
107.08578	26.8
107.09251	1.6
109.06516	3.0
109.10149	28.7
111.08080	6.1
113.09641	1.0
116.98560	1.0
117.07026	3.6
119.08574	36.0
121.10137	19.9
121.10977	1.4
123.08062	1.5
123.11703	16.5
125.09628	5.0
131.04935	1.9
131.08539	6.7
133.10126	25.7
135.08054	1.9
135.11693	18.1
135.12654	1.7
137.09676	1.6
137.13231	5.2
139.11195	2.4
143.08592	1.6
145.10115	10.6
146.10703	1.0
147.11681	21.6
149.09706	1.4
149.13255	22.2
151.11176	5.0
153.12729	1.3
157.10179	1.1
159.11691	11.6
160.12354	1.2
161.13249	29.2
163.11234	1.0
163.14838	11.4
165.12773	2.4
167.14343	1.0
173.13295	7.6
173.51421	0.8
175.14816	34.7
176.15178	1.3
177.16374	6.2
179.14336	2.6
187.14793	6.9
189.16373	8.6
191.14302	1.3
193.15884	4.5
201.16365	7.5
203.17950	1.3
205.15907	4.4
215.17953	3.7
219.17470	1.8
229.19542	6.3
231.21057	37.5
232.21405	0.9
257.19009	1.1
257.19717	1.3
257.22641	16.8
257.25482	0.9
257.26767	2.2
275.20157	17.7
275.23703	100.0
275.27710	30.1
276.20639	2.2
276.24042	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	276.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06576	1.4
61.65157	0.9
70.81255	1.4
72.08127	1.6
77.75178	0.9
82.06566	3.1
84.04522	4.6
84.08118	3.1
94.27976	1.1
95.04965	1.1
96.36089	0.9
98.97562	1.1
103.05458	2.2
104.06264	2.3
105.07026	21.4
108.90492	0.9
112.11225	3.9
121.06548	1.3
131.04921	8.6
132.05711	27.4
133.06491	22.8
134.07263	3.6
135.04395	1.1
143.08554	1.3
144.08084	1.1
145.06441	4.6
146.07259	2.8
157.84143	0.8
158.06006	1.8
159.04446	2.3
159.11859	1.2
160.07574	1.6
161.06068	1.2
165.09225	1.0
171.07979	1.3
172.07594	2.8
173.08360	9.2
173.45345	0.9
174.06746	2.0
174.09154	1.5
182.07220	1.1
183.07996	1.4
184.07558	2.9
188.10692	16.2
192.34920	1.1
197.09715	2.1
200.10622	6.2
201.07823	14.4
202.08696	7.9
202.12196	1.7
210.09212	2.6
214.12280	2.8
216.10185	100.0
217.10471	2.8
224.10666	3.1
225.09352	1.4
225.11433	3.8
226.08653	2.7
226.12152	1.8
228.10176	3.9
240.10211	1.4
241.11023	3.1
242.11688	8.3
243.12537	55.2
244.09677	63.7
245.10043	1.8
256.17194	1.0
259.20721	1.2
276.12302	39.1
276.20691	4.0
277.12686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1594
Annotation	Huperzine P
Peak:m/z	Relative Intensity
52.56060	0.7
55.05504	1.2
55.33316	0.6
56.05024	0.7
58.29685	0.6
67.05490	1.1
67.61568	0.7
71.16563	0.6
71.43507	0.7
74.01037	0.6
81.07073	0.8
82.26966	0.8
84.08151	5.3
85.00089	0.8
87.04465	52.0
95.82988	0.7
97.02869	0.9
101.42214	0.7
102.11221	0.7
102.83827	0.7
103.05452	1.0
104.75971	0.7
112.11259	1.0
118.06561	3.4
120.04517	0.8
120.08196	0.9
120.64394	0.8
130.06535	1.6
130.08624	1.3
131.04910	2.5
131.07310	0.7
132.08072	7.7
133.08870	9.5
134.09612	0.7
142.35466	0.8
146.04893	1.5
146.05998	20.8
146.09669	3.0
148.07581	1.6
148.11200	6.5
157.08849	1.8
160.07535	2.1
161.08336	3.5
162.12825	2.2
167.32881	0.8
172.11188	2.2
175.07607	1.0
181.01628	0.7
190.12259	45.1
191.12582	1.0
195.08186	0.8
203.06984	0.9
215.07104	1.4
219.12534	1.4
231.06317	0.8
232.09702	1.7
232.16910	4.0
276.15942	100.0
276.20789	2.5
277.16153	3.6
277.19122	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	276.1595
Annotation	Annotinine
Peak:m/z	Relative Intensity
50.44838	0.5
55.05505	1.6
56.05027	0.9
57.03435	7.5
57.07065	1.9
65.03910	0.8
67.05501	6.1
69.60629	2.5
70.06588	0.7
72.12767	0.5
74.74987	0.5
78.87802	0.5
79.05494	0.5
84.08156	0.7
91.05481	2.2
94.82928	0.5
95.42558	0.5
100.07619	23.6
105.07026	7.4
107.08585	0.8
108.10582	0.6
124.07613	0.7
131.08516	0.7
132.08078	6.9
133.08875	9.5
133.10127	18.5
146.09650	2.5
147.10393	3.3
148.11203	80.2
149.11554	1.3
161.12123	0.8
162.12805	2.5
176.14337	0.7
183.75560	0.5
186.12891	0.9
188.14288	1.0
190.12271	2.6
202.15904	1.2
204.17441	3.8
214.15996	3.0
216.13821	1.8
217.14636	3.3
230.15402	1.6
232.16953	67.5
233.17322	2.0
265.85223	0.7
276.15936	100.0
277.16302	2.8
294.46420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1958
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05516	1.5
57.03430	0.5
58.06568	0.3
59.05002	3.0
64.86343	0.3
66.19247	0.3
67.05499	0.4
69.72258	0.3
73.06551	0.4
79.05491	0.4
79.51624	0.3
81.07030	0.4
84.08110	0.9
91.05482	0.4
93.07024	0.4
97.06525	0.7
100.10992	0.3
103.05499	0.4
105.07031	0.6
117.06975	0.3
118.06534	16.6
119.07309	0.7
119.08570	0.3
131.04906	1.9
132.08069	5.3
133.08875	2.4
134.09624	1.1
146.09628	4.9
147.10432	0.7
148.11176	1.5
157.10170	0.3
160.11124	0.4
161.11993	0.4
176.14331	68.9
177.14664	1.7
216.13748	0.3
232.13255	0.3
232.16989	0.5
234.14825	0.3
259.09738	0.5
276.19559	100.0
277.19754	3.4
281.85333	0.3
291.55865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0706
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
51.21227	1.0
55.01871	10.3
55.05495	1.3
59.06107	1.0
65.03606	1.0
65.03938	18.7
67.05501	10.2
69.03393	1.6
69.07034	3.9
75.05574	1.9
79.05502	5.8
79.05869	1.2
81.03404	2.0
81.07009	1.4
83.04958	2.0
83.73384	1.0
84.08138	24.4
86.09660	1.2
88.07584	1.3
89.03869	2.0
89.07147	2.6
91.05472	4.9
93.03397	25.6
93.07005	1.4
95.04939	3.5
97.02882	14.6
97.06522	21.9
103.05438	2.1
103.08672	2.7
105.07009	3.7
107.04913	1.1
107.08646	1.4
108.90517	0.8
109.02872	2.5
110.03620	3.9
111.04439	6.2
113.97990	1.2
115.05453	7.4
117.03331	2.3
117.06992	3.5
119.08543	3.9
121.02847	5.4
123.04418	7.0
128.06201	17.8
129.06993	77.4
130.07271	1.9
130.08601	2.3
131.04910	3.3
131.08514	1.8
133.09860	0.8
135.04362	4.3
137.02336	23.8
137.03346	1.3
139.03796	2.1
139.05414	13.3
141.05898	1.7
141.06967	26.7
145.02802	3.4
145.06448	3.9
147.04384	7.2
147.08043	5.0
147.87822	1.0
148.10059	1.9
148.11195	28.4
149.02328	5.3
149.05954	3.5
155.04877	2.2
155.06027	2.8
156.05643	1.4
157.06482	62.4
157.16966	2.1
158.06805	2.2
159.04364	1.4
159.07990	1.7
160.05177	6.8
161.02287	3.6
161.05904	3.8
163.03893	16.7
165.12329	5.8
167.03470	1.9
167.04898	14.6
169.06459	16.1
173.02345	8.0
173.05972	21.5
174.06721	16.9
175.07529	88.5
176.07828	2.1
183.04390	2.0
184.05199	1.1
185.05966	75.4
186.06419	2.8
186.18552	1.9
187.07494	8.4
189.05382	4.1
191.03323	4.8
195.04289	4.7
197.05923	2.7
200.04623	2.2
201.05440	15.5
202.06171	1.4
203.07011	54.8
204.07376	1.6
213.05453	39.6
215.06995	15.4
217.04823	1.2
231.06506	100.0
232.06857	3.1
232.14789	1.7
232.16933	12.7
233.08025	3.4
234.06668	2.3
241.04869	4.3
249.09158	1.4
259.05957	14.3
259.09595	10.3
262.06381	1.5
277.06995	79.1
277.19046	29.4
277.21912	2.3
277.24783	15.9
278.07315	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Pentalenolactone P
Peak:m/z	Relative Intensity
51.02390	1.2
53.03938	4.9
54.89756	1.1
55.01873	9.6
55.05497	2.4
57.03422	3.8
61.02923	1.3
65.03917	1.5
67.05482	3.7
69.03135	1.5
69.03435	17.9
70.10576	1.3
70.10899	2.7
71.01344	3.1
71.04986	2.6
73.02897	1.3
77.03914	2.5
77.60460	1.0
79.05486	17.5
80.71073	1.1
81.03419	19.2
81.07037	2.4
81.45016	1.0
83.04971	6.1
85.02908	5.8
88.22972	0.9
91.05483	28.2
93.07052	11.9
95.01340	1.9
95.04970	9.6
95.08591	3.3
97.02897	9.1
99.04443	5.3
103.03973	1.5
103.05463	10.6
105.03399	1.7
105.07027	100.0
107.04995	6.5
107.08565	5.3
109.02894	6.8
109.06505	3.3
111.04456	6.7
113.02281	1.2
115.03922	1.8
115.05463	8.2
117.07019	14.7
119.04973	5.8
119.08587	8.3
121.02847	1.3
121.06519	10.5
123.04431	5.5
123.08041	1.6
125.02355	1.3
125.05937	1.3
127.03925	9.2
128.06223	9.7
129.06995	13.9
131.04944	11.6
131.08569	11.7
132.05679	1.1
133.06488	30.9
135.04372	1.9
135.08063	6.6
137.05937	1.9
141.05455	5.3
141.06993	6.9
142.07764	5.5
143.08548	9.7
144.05698	2.3
144.46501	1.1
145.06479	15.5
145.10098	2.8
147.08054	9.3
149.05954	10.0
151.07509	5.7
152.06108	2.1
153.06973	3.5
154.07759	1.8
155.06015	1.4
155.08517	4.3
157.06479	6.9
157.10106	4.2
158.07251	1.4
159.04468	1.2
159.08064	11.5
161.05992	4.4
161.09587	3.3
163.03944	1.5
163.07559	9.9
165.05412	1.2
165.06956	1.8
165.09093	1.6
167.07167	1.7
167.08548	5.3
169.06445	5.8
170.07251	1.7
171.08049	10.6
173.05994	5.0
173.09673	2.7
175.07556	4.2
177.05415	1.6
183.08002	1.8
185.05975	3.2
185.09651	8.5
187.07504	9.8
189.09045	5.5
191.07033	2.7
195.08110	3.3
199.07500	5.7
200.08176	1.3
201.09122	4.9
203.06973	2.9
203.10794	2.4
211.07373	1.3
213.09067	10.2
215.07045	1.9
217.08563	6.0
229.08649	3.5
231.10133	7.8
235.09688	1.6
241.08698	5.6
247.09532	2.2
249.11179	5.4
259.09677	14.6
277.10687	51.0
278.11044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65992	1.0
52.23374	1.0
52.33853	0.9
54.96325	0.9
55.01863	1.6
55.05495	3.2
55.29348	0.9
56.05031	13.9
57.03407	2.2
57.07053	2.1
57.38580	1.1
58.99581	7.7
62.30716	1.0
67.05504	6.9
69.07053	2.8
69.20586	6.4
70.06548	1.1
72.26736	0.9
74.02425	2.7
74.06069	1.1
75.02702	2.0
76.02203	4.6
76.03970	2.1
78.08829	1.1
79.05481	1.6
81.03387	1.1
84.04490	2.9
84.08137	77.6
85.01125	64.4
85.06517	4.9
86.09694	4.1
86.99032	4.2
87.02663	1.9
88.02243	1.3
93.03350	1.3
94.71080	1.1
95.08541	1.2
97.02869	1.4
97.06481	1.0
98.23578	1.3
100.07598	1.6
102.03761	98.1
102.05534	66.7
104.69903	1.1
105.07024	1.3
107.04947	1.4
112.03944	1.2
114.15392	1.0
115.05394	1.1
116.01667	18.8
117.42876	0.9
120.08021	1.1
123.04415	1.4
126.01060	2.4
128.06116	1.0
129.06946	3.2
130.08633	10.3
132.08063	1.3
133.08871	2.6
133.10179	1.0
134.10413	2.6
137.02281	1.3
139.05450	1.4
141.07004	2.0
141.19243	1.0
143.08536	1.4
144.01112	3.1
147.10367	1.1
148.11198	100.0
149.02296	2.7
149.11545	9.1
157.06459	3.6
162.02174	4.9
163.03918	1.6
173.05913	1.9
174.12773	3.0
175.07472	5.9
185.05963	2.6
188.03745	14.9
199.34801	1.1
201.09053	1.1
203.06989	2.5
205.06410	97.3
213.05435	2.8
215.06949	1.7
215.87964	1.0
216.17416	2.7
231.04517	1.1
231.06474	6.5
232.16943	38.0
233.17244	9.0
235.09378	1.0
259.05978	1.5
267.67776	1.0
277.07123	2.8
277.16196	12.4
277.19049	89.8
278.17343	12.6
278.19806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.2
55.77518	2.6
62.63224	2.1
67.05486	5.1
71.04988	84.0
72.21156	2.5
79.05482	3.8
81.07041	5.3
91.05474	4.1
92.68835	2.4
93.07031	6.9
95.08592	2.7
98.22684	2.3
98.97630	2.2
99.04449	100.0
105.07007	19.8
106.72911	2.2
107.08573	4.2
109.06494	2.7
116.98661	3.6
121.06463	4.0
121.10175	2.6
133.06499	2.9
133.10152	5.4
135.11667	2.9
139.46284	2.2
145.10065	2.7
149.02342	5.7
161.09596	12.4
173.13087	2.3
217.08441	3.1
219.73224	2.4
266.32016	2.5
275.58447	2.5
277.08353	3.9
277.11209	3.7
277.14163	3.0
277.18539	2.4
277.21466	8.9
277.24915	2.4
297.43784	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	277.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67335	0.3
55.28449	0.3
56.05024	1.1
56.07873	0.3
57.03433	0.6
57.07069	0.3
60.31025	0.3
60.57679	0.3
67.05492	1.1
69.03403	0.4
70.15474	0.8
76.02232	0.4
81.07034	0.3
83.27032	0.3
84.04499	5.4
84.08138	21.6
85.02898	8.4
85.06545	0.9
86.06071	0.4
86.09688	1.1
87.04481	0.4
93.06966	0.3
95.01333	1.2
102.05537	3.8
112.03957	0.7
113.02358	0.7
120.08071	0.9
130.04991	25.2
130.08638	2.5
131.05272	0.4
132.08057	1.1
133.08859	2.3
136.07629	0.4
144.08125	0.5
144.94467	0.3
146.09714	0.4
148.11198	100.0
149.11568	2.4
156.08487	0.3
162.02148	0.5
174.12773	1.7
188.10750	0.5
188.66733	0.3
200.36441	0.3
216.17520	0.6
218.11713	0.3
232.16940	9.3
233.17178	0.4
242.81044	0.4
248.58884	0.3
259.11075	0.9
260.12790	4.7
260.15335	0.6
277.15463	21.3
277.19067	25.3
278.15811	0.9
278.19431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	10.7
55.05511	5.1
57.07077	2.3
59.70198	0.5
65.03948	0.6
67.05505	6.7
69.07068	4.1
70.06583	1.7
79.05489	10.0
81.03419	0.9
81.07053	40.8
83.04959	2.8
83.08607	1.3
88.07628	1.4
89.07942	1.1
91.05475	4.6
93.07036	7.6
93.82735	0.6
95.04977	2.3
95.08607	6.7
97.06517	1.0
105.07031	10.0
106.08706	0.6
107.04942	1.0
107.08583	6.1
109.06519	13.7
109.10166	2.7
111.04445	10.7
111.08105	1.2
115.05456	0.7
117.06992	1.3
119.08574	4.8
121.06490	0.6
121.10133	5.6
123.08057	1.3
123.11725	1.3
125.05965	4.7
126.28125	0.5
128.06230	0.8
131.08562	1.6
133.06499	6.0
133.10120	3.3
135.08072	2.1
135.11678	4.3
137.05969	100.0
137.13252	1.2
138.06339	1.3
141.07027	0.8
142.07779	2.2
143.08553	2.7
145.10141	2.8
147.08032	1.8
147.11650	4.2
149.09636	2.9
149.13219	1.7
151.07538	2.2
155.08578	1.3
157.10121	4.6
159.11673	1.0
161.09631	3.5
161.13246	1.9
163.11136	1.7
163.14790	1.0
165.06960	1.3
165.09097	1.9
167.08508	1.0
167.10591	0.8
169.10155	1.5
171.11674	1.4
175.11171	3.8
175.14934	0.7
178.07736	1.0
179.08540	2.0
179.10571	1.6
181.10109	1.2
183.11626	0.8
190.07973	0.6
191.08540	1.5
192.09357	3.2
193.10112	4.1
193.11931	0.9
195.11699	1.5
195.26477	0.6
202.07666	1.0
203.17955	4.5
204.09265	1.3
205.06422	2.1
205.10071	3.3
206.10863	3.0
207.11691	5.4
209.09624	0.8
209.13135	1.2
213.16380	2.1
218.10878	1.6
219.08061	2.3
219.11630	6.0
219.23242	0.6
220.08871	2.0
220.12531	4.2
221.09608	4.1
221.13193	2.0
221.18996	0.9
222.10185	1.1
229.10085	3.1
230.10938	0.7
231.11668	1.5
231.17421	5.8
232.08791	1.2
233.09608	7.7
233.13129	2.9
234.10391	3.1
234.13979	3.4
235.11177	6.8
235.14806	4.4
243.11656	0.8
244.12405	2.7
247.11160	8.7
247.14842	0.8
248.11992	6.8
249.12733	3.0
249.16272	4.3
249.18523	2.5
259.14679	3.6
261.12631	0.7
262.13516	10.0
276.28015	13.1
277.15784	48.2
277.21631	3.2
277.28229	7.6
278.16147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03937	0.8
55.01865	8.9
55.05507	4.3
57.07038	0.7
58.80527	0.4
65.03922	0.4
67.05158	0.5
67.05500	5.7
69.07050	3.1
69.10159	0.5
71.08620	1.0
71.19968	0.6
76.37258	0.4
79.05485	8.6
81.07051	33.7
82.07357	0.9
83.04957	2.4
83.08615	1.7
85.06531	0.5
91.05460	3.0
92.32526	0.4
93.07041	5.6
95.04965	0.9
95.08600	5.1
95.45487	0.4
97.06512	0.9
100.73148	0.5
105.07018	3.4
107.04974	0.4
107.08595	4.1
109.06511	13.9
109.10141	2.5
111.04433	11.9
111.08056	0.7
115.05432	0.4
117.06983	0.5
119.08575	3.9
121.10143	3.2
123.08061	1.0
123.11654	1.1
125.05988	4.5
131.08551	1.6
133.10109	3.0
135.08076	2.2
135.11687	4.9
137.05966	100.0
137.13228	1.2
138.06305	1.7
139.07448	0.6
143.08574	1.2
145.10115	1.8
147.08031	1.5
147.11681	4.4
149.09604	2.7
149.13269	1.3
151.07579	2.5
151.11185	0.9
157.10138	1.7
159.11627	0.7
161.09613	4.6
161.13242	1.8
163.09874	0.5
163.11172	2.1
163.14821	0.8
165.09081	1.9
167.10756	0.6
171.11685	1.0
175.11192	3.7
175.14822	1.1
177.09070	0.7
179.10652	1.7
189.12659	0.6
193.12267	1.0
203.14357	0.5
203.17950	4.2
207.62131	0.5
213.16362	2.7
221.18968	1.3
231.17409	5.3
235.13350	0.5
241.15863	0.7
249.18536	3.4
277.18042	5.3
277.21530	1.2
295.19354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	10.2
55.05507	4.9
56.81704	0.2
57.07074	1.2
59.04964	0.3
65.03941	0.7
67.05505	5.8
69.03442	0.6
69.07072	3.5
70.03561	0.2
71.05001	0.3
71.08640	0.3
76.65161	0.2
78.34610	0.3
79.05495	8.1
81.07056	37.9
82.07381	0.7
82.29948	0.2
83.04981	2.0
83.08611	1.3
84.08128	0.4
85.06547	0.3
91.05482	2.7
93.07045	4.2
95.04977	0.8
95.08604	5.4
97.06548	1.2
101.09628	0.4
105.03407	0.3
105.07046	3.2
107.07909	0.4
107.08596	3.9
109.06518	15.0
109.10145	2.0
111.04443	13.4
111.08071	0.7
117.07067	0.4
119.08580	3.9
121.06484	0.4
121.10156	2.8
123.08070	1.5
123.11710	1.0
125.05993	4.0
128.06262	0.3
131.08556	1.5
133.02859	0.6
133.06487	0.3
133.10124	3.3
135.08032	2.0
135.11697	3.5
137.05975	100.0
137.13229	1.3
138.06291	1.9
139.07568	0.5
139.11211	0.3
142.07806	0.3
143.08556	1.1
145.10138	1.3
147.07982	1.1
147.11688	4.0
148.11186	0.4
149.02353	0.3
149.09618	2.9
149.13263	0.8
151.07553	2.8
151.11186	0.7
157.10109	1.4
159.08118	0.4
159.11662	0.7
161.09608	5.0
161.13249	1.7
162.10063	0.2
163.07622	0.3
163.11194	1.8
163.14804	0.6
165.09109	1.8
165.12790	0.6
167.10692	0.8
169.10126	0.3
171.11703	0.7
173.13300	0.4
174.10381	0.3
175.11194	3.4
175.14825	0.9
177.09137	0.4
177.12773	0.7
179.10687	1.7
181.12201	0.4
185.13120	0.4
189.12799	0.6
193.06477	2.4
193.12212	1.0
203.08679	0.3
203.14218	0.4
203.17935	4.1
205.19408	0.3
207.13712	0.3
213.16388	2.0
221.09819	0.3
221.19109	1.2
223.14900	0.6
231.07985	0.6
231.17453	5.4
232.17342	0.2
233.05945	0.7
241.15829	1.0
249.18509	2.8
259.07458	0.6
277.08612	0.8
277.17975	5.1
277.21561	0.6
295.18884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1911
Annotation	Hederacine B
Peak:m/z	Relative Intensity
56.05030	3.3
57.07061	1.1
64.39902	0.4
67.05505	3.5
69.07064	0.9
84.04502	2.1
84.08140	82.1
85.06535	3.4
85.08484	0.9
86.09709	4.4
98.23363	0.5
101.77751	0.4
115.07520	0.4
119.14793	0.5
120.08087	4.1
130.08627	13.2
130.09543	0.9
132.08128	1.7
133.08904	3.2
146.09711	1.0
148.11201	92.0
149.11555	1.7
163.96732	0.4
166.08679	1.5
166.41019	0.4
174.12813	2.5
202.16023	0.8
216.17465	2.6
232.16948	36.9
233.17329	1.6
233.94615	0.5
250.20280	0.4
277.19098	100.0
278.19434	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	277.191
Annotation	Hederacine B
Peak:m/z	Relative Intensity
55.05496	0.4
56.05029	1.6
57.07072	0.6
65.72706	0.3
67.05501	1.7
69.07080	0.7
69.15869	0.3
74.02453	0.5
75.43124	0.3
77.65073	0.3
84.04514	2.7
84.08139	47.3
85.02901	5.3
85.06524	1.7
85.08467	0.4
86.09696	2.3
87.04435	0.3
95.01324	0.7
102.05527	2.5
103.84236	0.3
110.98385	0.3
112.03983	0.5
113.02375	0.5
120.08127	0.7
130.04996	17.0
130.08632	6.7
132.08127	1.2
133.08894	2.2
146.09645	0.7
147.10367	0.5
148.11198	100.0
149.11522	2.1
174.12796	1.6
202.15933	0.5
216.17508	1.4
232.16954	22.1
233.17361	0.7
237.47383	0.3
247.38602	0.3
259.11386	0.4
260.12805	3.5
277.15512	14.1
277.19070	61.9
278.16217	0.4
278.19434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.28875	1.2
55.05508	7.6
55.67324	1.0
57.03382	1.3
57.07072	6.3
59.04991	2.5
65.03927	1.2
66.42983	0.9
67.05500	24.8
67.64365	0.9
69.07070	10.6
69.46679	2.9
69.47073	2.5
70.06573	1.1
71.04988	8.0
71.21172	0.9
77.12546	1.2
78.87553	1.1
79.05486	14.8
81.07051	63.1
82.07365	1.1
82.21953	1.1
83.04969	3.3
83.08605	4.4
85.06529	5.3
91.05476	9.9
93.07038	31.3
95.04958	4.1
95.08601	52.3
96.08965	1.1
97.06522	7.9
97.10160	2.9
99.08097	2.3
105.07023	18.1
107.08589	25.3
109.06513	14.4
109.10149	61.4
111.08066	2.7
113.09624	1.2
117.07003	2.0
119.08572	17.5
121.10136	26.8
123.08049	4.6
123.11701	40.1
125.09614	2.3
129.06989	1.3
131.08537	9.5
133.10118	30.2
135.08098	1.6
135.11679	15.5
137.09615	5.4
137.13264	2.6
139.11165	3.5
142.07858	1.4
143.08557	4.4
145.10120	12.2
147.11685	8.9
149.02325	9.2
149.09599	2.8
149.13275	5.3
150.41165	1.0
151.11171	34.0
153.12741	1.3
156.09349	1.4
157.10097	4.2
158.04144	1.0
158.10896	1.8
159.11693	10.6
161.13225	7.0
163.11208	2.3
163.14796	3.1
165.12762	16.7
171.11627	5.7
173.13242	13.9
175.14798	8.0
177.12737	2.7
179.14322	7.6
183.11604	1.5
185.13248	10.2
186.13687	1.4
187.14792	1.3
189.12737	1.8
189.16333	3.0
197.13420	1.1
199.14789	5.1
201.16359	17.4
203.14333	3.5
207.17418	9.2
213.16359	1.7
215.17996	2.0
217.19453	2.8
219.17424	3.7
235.20627	4.2
241.19504	21.6
259.20563	60.2
260.20987	2.6
277.21600	100.0
278.21948	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02367	0.8
52.00512	0.6
53.03941	2.2
55.01859	1.1
55.05255	1.3
55.05508	17.7
55.28131	0.6
57.07074	3.4
65.03951	1.7
67.05502	29.8
67.05865	1.5
69.03419	0.8
69.07059	15.3
69.56331	2.7
70.51878	0.7
71.04989	2.1
73.03384	0.7
73.06526	1.2
77.03918	3.4
79.05487	76.3
80.05816	1.0
81.07051	35.0
83.04977	2.7
83.08627	6.8
85.06528	2.0
91.05473	26.2
91.06050	0.7
93.07039	100.0
94.07381	1.6
95.04958	11.0
95.05901	0.7
95.08601	23.6
97.06519	2.0
97.10159	2.7
101.05989	0.9
105.04527	4.1
105.07027	16.6
106.07348	0.7
107.08585	48.7
108.08926	1.4
109.06513	2.9
109.10141	13.0
111.08052	0.9
117.06998	3.3
119.06090	1.0
119.08582	10.6
121.06482	0.8
121.10136	42.1
123.08090	0.9
123.11724	3.1
125.09618	0.8
127.07574	1.0
128.06204	1.1
129.06990	3.1
131.08539	4.3
133.06490	1.4
133.10121	11.3
135.08098	0.8
135.11678	48.0
137.09642	0.9
143.08542	3.1
145.06454	1.2
145.10161	4.4
147.08006	0.8
147.11678	8.6
149.09602	1.2
149.12103	1.5
149.13245	20.6
151.11047	0.7
157.10109	2.3
159.11691	3.1
161.09647	0.8
161.13274	2.8
163.11172	2.3
163.14803	5.8
164.15317	0.6
169.10114	1.2
171.11674	3.1
173.13242	1.7
175.11333	0.9
175.14839	2.5
177.12746	1.9
181.12267	1.3
185.13234	1.7
189.12791	0.8
192.09288	0.9
193.10121	1.4
195.13870	1.3
199.14798	2.0
203.14319	0.9
205.10092	1.3
206.10941	1.5
207.11687	2.9
207.13820	2.4
213.16415	2.0
217.15929	1.0
218.10913	1.4
219.11713	3.2
220.08716	0.7
220.12378	0.7
221.09578	1.5
221.13304	1.5
221.15388	3.1
229.10130	2.1
230.31667	0.8
231.11716	0.8
233.09587	1.9
234.10284	1.0
234.14020	2.0
235.11150	2.1
235.14871	0.8
235.16887	3.8
241.19470	1.7
244.12436	1.3
247.11189	4.7
248.11954	3.2
249.12769	1.1
249.16423	2.3
259.14838	2.1
259.20587	4.4
261.12537	1.1
262.13531	4.6
277.15881	20.2
277.21606	65.3
277.28009	3.7
278.16043	1.0
278.21997	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02379	0.9
53.03940	3.0
55.01860	1.3
55.05510	18.8
57.07071	4.7
57.49119	0.9
65.03928	1.7
67.05503	35.4
69.06712	1.2
69.07068	16.3
69.51084	3.4
71.04993	1.8
77.03925	2.8
79.05492	79.1
80.05835	1.2
81.03416	2.6
81.07053	43.6
82.32012	0.8
83.04980	2.2
83.08621	8.8
84.08130	2.1
85.06534	2.4
91.05476	25.9
93.07042	100.0
95.04972	10.0
95.08601	30.5
96.08903	1.2
97.06525	3.6
97.10159	5.1
105.04536	4.5
105.07031	15.3
107.08591	51.9
109.06516	3.1
109.10149	14.0
111.08039	1.3
113.83808	1.2
117.07024	3.6
119.08586	13.3
121.10142	47.6
123.08080	1.3
123.11699	4.1
129.07010	2.7
130.10994	0.9
131.08559	5.0
133.10135	13.1
135.08090	1.5
135.11687	48.3
136.12035	1.0
137.06046	1.2
137.09590	1.4
137.13214	1.4
142.29787	0.9
143.08578	1.9
145.10146	3.0
147.11688	8.1
148.11137	1.5
149.09627	2.1
149.13249	21.8
151.11186	2.3
157.10162	2.5
158.36002	0.9
159.11671	3.6
161.09602	1.8
161.13260	5.3
163.11169	1.6
163.14761	6.8
165.12711	1.6
171.11696	3.0
173.13255	2.6
175.11339	2.2
175.14784	1.8
177.12738	1.9
179.10973	0.9
179.14290	1.1
181.12274	1.2
185.13258	2.2
189.06746	1.0
189.12796	2.3
195.13780	1.6
199.14862	2.2
203.14322	2.0
207.13757	1.8
213.16412	1.2
217.19403	1.2
220.19421	1.0
221.15431	3.6
223.66866	1.0
235.16911	3.8
241.19516	2.5
243.31516	0.9
259.20557	4.0
277.08456	1.2
277.21634	69.8
278.21933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02362	0.8
52.91889	0.6
53.03928	2.4
55.01860	1.4
55.05505	18.4
57.03425	0.8
57.07080	3.3
59.49648	0.6
65.03932	2.1
67.05498	32.9
68.05840	0.7
69.06712	1.0
69.07062	16.6
71.04979	2.5
77.03915	2.4
79.05484	76.8
80.05806	0.7
81.07048	37.1
83.04976	2.4
83.08614	9.4
84.08139	0.9
85.06534	1.8
91.05467	29.5
93.07031	100.0
94.07366	1.8
95.04958	9.8
95.08598	26.9
97.06505	1.7
97.10166	4.1
98.22693	1.4
99.08077	1.3
101.06041	1.3
105.04518	3.6
105.07023	13.2
107.08580	50.0
108.08910	1.1
109.06511	2.2
109.10149	11.2
110.89550	0.6
111.08076	0.9
117.07015	3.3
119.06090	1.3
119.08564	10.9
121.06532	0.9
121.10127	43.6
123.08023	0.7
123.11715	4.2
125.09601	1.0
129.07002	1.7
131.08577	4.0
133.10107	12.3
134.10408	0.8
135.08044	1.2
135.11676	46.5
136.12015	0.8
137.05940	1.2
137.09564	1.2
139.11197	0.8
143.08514	2.1
145.10156	3.4
147.11670	8.2
148.11183	1.1
149.09607	1.2
149.13237	21.5
151.11151	1.1
157.10097	1.7
159.11719	3.3
161.13275	4.9
163.11189	1.2
163.14822	5.9
171.11653	3.1
173.13266	2.0
175.11121	0.9
175.14809	1.7
177.12808	0.9
181.12175	1.8
185.13246	2.2
189.12700	0.9
193.12236	1.6
195.13828	1.7
199.14798	1.4
203.14238	0.8
207.13783	1.9
209.15388	0.9
213.16391	1.8
217.19434	0.7
221.15395	3.9
235.16924	2.6
241.19472	1.3
259.20544	3.2
277.21597	63.4
278.21936	2.2
297.92957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.7
55.01861	8.7
55.05254	1.4
55.05506	19.8
57.03417	2.5
57.07070	4.9
59.05001	1.1
63.95237	0.9
65.03939	2.1
67.05496	45.5
68.53116	1.0
69.03423	2.2
69.07064	16.8
70.56417	1.9
71.04980	3.7
71.08627	10.7
73.06552	1.1
77.03934	1.1
79.05482	53.5
81.03410	6.4
81.07047	43.5
83.04972	5.0
83.08606	11.3
84.08131	4.9
84.35039	1.0
85.06514	3.7
88.06487	0.9
91.05467	24.7
93.07034	65.9
94.07363	1.0
95.04958	13.1
95.08597	28.2
97.06497	7.5
97.10158	5.4
99.08080	7.5
105.04484	2.1
105.07021	21.4
107.04963	4.6
107.08582	35.4
108.05714	1.7
109.06502	5.4
109.10143	15.1
111.08065	5.7
117.06993	6.0
119.08559	16.2
120.08901	1.0
121.06487	1.6
121.10129	20.0
123.08054	4.2
123.11677	6.9
125.09606	2.3
128.06186	1.2
129.07001	3.6
131.08528	5.6
133.06427	1.0
133.10123	12.7
135.08011	2.5
135.10735	0.7
135.11673	21.6
137.09583	3.4
137.13242	2.3
139.11162	2.1
141.12718	1.6
143.08551	4.0
145.10120	7.8
147.08084	1.7
147.11694	13.2
148.11168	4.2
149.02338	7.3
149.09567	2.3
149.13223	13.3
151.11174	8.3
153.09096	1.3
153.12737	1.2
157.10089	1.9
159.11679	3.4
161.09601	2.5
161.13255	10.7
163.11157	7.7
163.14786	6.3
165.12750	5.5
169.12233	1.6
171.11710	4.5
171.30064	0.9
173.11787	1.1
173.13266	2.7
175.11154	2.1
175.14832	4.4
177.12709	2.6
179.14290	3.2
181.12257	2.4
185.13254	2.4
187.14760	1.1
189.12662	1.0
191.12579	1.2
193.10246	1.0
193.12183	1.3
193.15808	1.0
195.13802	1.5
199.14848	2.4
203.12555	2.1
203.14308	2.1
207.13814	3.1
213.16234	0.9
217.19534	1.7
221.15350	3.4
231.15668	2.6
231.21115	5.2
232.16824	1.6
235.16902	2.3
241.19418	4.7
249.22090	2.6
259.15134	5.9
259.20493	11.2
277.18594	4.7
277.21594	100.0
278.21942	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	3.4
54.12354	1.9
55.01854	2.5
55.05510	20.3
57.03426	2.1
57.07052	4.3
59.12613	1.7
65.03933	2.4
67.05500	48.0
68.22318	2.1
68.55777	1.9
69.06757	2.2
69.07069	20.0
69.17371	2.5
69.17776	11.3
71.04983	3.3
71.08628	29.0
77.00568	2.8
79.05486	68.8
81.03423	4.6
81.07050	55.5
83.04976	5.3
83.08608	7.7
84.08142	3.4
85.06533	4.7
91.05475	30.4
93.07037	100.0
95.01629	5.3
95.04962	19.0
95.08601	38.6
97.06547	5.4
97.10168	5.1
99.08101	13.6
105.04543	3.0
105.07005	22.3
107.04964	4.9
107.08588	59.8
109.06495	3.4
109.10162	10.6
114.31194	2.5
117.07017	6.5
119.08572	15.5
121.10137	47.0
123.08055	2.5
123.11655	2.8
129.06944	3.6
131.08511	3.5
133.10138	10.4
135.11681	57.1
137.05978	2.2
137.09589	2.7
141.09154	3.1
143.08553	2.5
145.10110	6.0
147.11690	8.6
148.11177	4.0
149.13266	16.8
151.11200	10.5
152.82640	2.0
159.11696	4.3
161.13245	7.1
163.11218	4.6
163.14790	4.7
167.10648	3.2
175.14876	2.8
177.12727	3.2
179.14284	34.0
181.12207	2.0
185.13266	2.5
189.12657	2.1
195.13757	2.7
221.15399	4.7
235.13359	2.2
235.16899	4.5
235.78523	1.8
249.09015	2.3
259.20547	4.0
277.21613	98.3
278.21869	4.0
287.44724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	9.8
55.01860	5.3
55.05506	26.2
57.03437	2.1
57.07068	8.9
59.04996	1.3
65.03929	2.3
67.05499	79.0
68.05846	0.8
69.03413	1.5
69.07062	33.7
69.76050	1.3
69.76439	2.5
71.04978	3.5
71.08618	8.0
77.03897	0.9
79.05486	42.1
81.03412	37.0
81.07050	100.0
82.07404	1.1
83.04980	9.1
83.08617	12.3
85.06107	0.6
85.06525	3.7
85.10182	3.4
91.05473	29.1
93.07036	50.2
95.04340	0.9
95.04959	27.5
95.08598	70.2
96.08952	1.3
97.06511	5.9
97.10173	5.7
99.08083	7.5
105.04538	2.1
105.07018	21.4
105.07732	1.1
107.04982	1.4
107.07835	1.3
107.08582	26.4
108.05740	0.8
109.06509	7.9
109.10142	32.4
111.07434	0.8
111.08069	4.6
111.11710	1.2
113.09628	2.4
117.07018	2.8
119.08570	17.0
119.91367	0.7
121.06535	1.5
121.10138	17.4
123.08092	3.7
123.11694	16.4
123.12523	1.2
125.09603	5.4
127.04501	0.8
129.07005	2.7
131.08559	4.3
133.10110	18.3
135.08040	2.7
135.11687	9.9
137.09619	3.8
137.13223	8.0
139.11194	0.7
143.08524	1.7
145.10129	2.8
146.66667	0.7
147.08072	1.7
147.11668	13.9
149.09625	1.8
149.13234	7.7
151.11179	22.1
151.14789	4.3
153.09050	1.8
157.10126	2.3
159.11688	2.2
161.09637	1.5
161.13252	10.5
163.11179	1.0
163.14804	4.7
165.09050	0.8
165.12735	8.8
165.16382	2.0
171.10043	0.7
171.11731	3.1
173.13240	1.2
175.11153	1.2
175.14819	6.9
177.12697	1.3
177.16431	2.2
179.10612	1.0
179.14272	4.4
179.17979	1.0
181.12193	0.7
185.13272	2.3
189.12758	1.8
189.16457	2.0
191.17929	0.8
199.14833	1.0
203.17960	1.0
207.13826	2.3
207.17459	1.0
213.16438	0.7
215.17952	0.7
217.19595	1.5
221.15417	1.5
221.19016	1.2
231.21027	5.5
235.17026	1.5
241.19542	2.8
249.22202	2.1
259.20624	6.5
259.24164	5.9
277.11948	1.1
277.21677	48.5
277.25305	47.9
278.21951	1.8
278.25555	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	277.2525
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05509	14.4
57.03433	1.7
57.07077	9.1
63.67387	0.7
65.03945	1.6
67.05501	62.6
69.06708	1.4
69.07063	16.6
71.04980	2.3
71.08644	4.1
79.05486	19.5
81.07052	100.0
83.04998	1.5
83.08620	10.8
85.06528	2.9
85.10157	2.4
89.23549	0.7
91.05477	9.9
93.07037	19.1
95.04969	2.3
95.08603	86.3
96.08940	1.2
97.06528	4.6
97.10155	5.9
99.08094	5.5
105.07028	10.7
107.08586	11.9
108.16828	0.8
109.06526	0.9
109.10149	45.1
111.08044	3.5
111.11698	1.6
113.09643	1.7
117.07018	0.8
119.08578	9.6
121.10142	13.8
123.08030	1.2
123.11704	22.1
124.12044	1.2
125.09658	1.5
133.10114	9.6
135.11684	9.0
137.09694	1.0
137.13243	10.3
139.11139	1.0
147.11673	8.3
149.02411	1.0
149.13297	4.2
151.11177	1.8
151.14812	6.0
161.13249	8.2
163.14798	4.8
165.12752	1.3
165.16412	6.9
175.14821	5.3
177.16422	4.5
179.14313	0.8
179.17940	6.7
189.16374	3.8
191.18011	1.4
193.19514	2.4
195.17329	0.9
203.17938	2.7
217.19421	0.9
221.19052	2.0
231.21016	1.2
235.20599	1.0
259.24188	22.9
277.11826	2.9
277.25259	70.1
278.25543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1388
Annotation	Convolidine
Peak:m/z	Relative Intensity
57.03442	1.9
63.15729	0.2
71.01352	0.8
71.03486	0.4
84.08109	0.3
85.02902	26.1
103.03947	0.3
106.06557	0.3
113.02368	1.4
131.03438	1.3
132.08072	3.0
133.08888	5.1
146.09723	0.3
148.11201	79.5
149.02350	0.6
149.11572	2.0
174.12761	0.8
188.10686	0.8
214.72615	0.3
218.11699	0.7
233.17273	0.3
260.12732	1.3
278.13858	100.0
279.14236	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	278.2115
Annotation	Ici 118551
Peak:m/z	Relative Intensity
50.54538	0.2
53.03944	0.3
53.50552	0.2
55.01860	0.9
55.05504	2.3
56.05020	0.3
57.03429	0.5
57.05792	0.4
57.07060	1.5
58.06598	0.7
60.04530	1.6
64.04321	0.2
65.03940	0.5
65.30219	0.2
67.05499	6.0
69.03421	0.5
69.07061	24.1
70.06606	0.3
71.04983	0.3
71.08622	1.0
71.43984	0.3
72.04502	0.5
72.08147	0.3
79.05480	5.3
81.03398	0.6
81.07049	10.3
82.06566	0.4
83.04969	2.8
83.08620	0.7
84.08135	2.3
86.09697	100.0
87.10026	0.8
88.11265	1.0
89.72603	0.3
91.05472	8.7
93.07034	20.1
94.06564	0.3
94.07353	0.5
95.04958	5.6
95.08598	3.2
96.04495	0.6
97.06529	1.1
103.05499	0.4
105.07020	13.9
107.04932	0.9
107.08585	6.1
109.06509	12.5
109.10135	2.7
110.06060	0.4
110.09660	0.4
111.08071	2.3
112.07607	0.6
112.11224	0.3
117.06985	0.7
119.08581	3.2
121.06451	0.6
121.10125	1.9
123.08045	1.7
123.11696	1.2
124.07571	0.3
124.37067	0.3
125.09635	0.4
126.05640	0.2
126.12785	0.3
127.07557	0.4
128.10706	12.9
129.06982	0.6
131.08549	3.6
133.06467	0.9
133.10117	23.8
134.10451	0.6
136.07582	0.3
137.05920	0.3
137.09520	0.4
137.13228	0.3
140.14311	0.7
145.10100	1.0
147.08014	0.3
147.11670	10.1
149.02306	1.9
149.09579	2.4
149.13264	2.4
150.12762	0.5
151.07558	1.1
151.11162	45.4
152.11505	0.9
152.14307	0.6
157.10155	0.4
163.11197	0.8
165.12750	2.0
166.08595	0.4
167.14316	3.3
168.13725	0.4
171.11572	0.3
175.11166	2.1
180.13707	0.3
191.10571	0.3
192.13841	2.9
192.89044	0.3
193.12231	5.0
194.15375	0.6
210.14859	5.7
219.05695	1.1
219.17421	0.4
222.14888	4.6
236.19946	0.5
260.20059	7.1
264.24792	0.3
278.21115	43.2
279.09393	1.6
279.17404	0.8
279.21378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07054	18.5
88.87928	14.2
98.97588	42.2
117.58939	12.1
137.07062	29.0
158.99663	22.0
164.11301	11.5
177.00696	23.6
279.04700	100.0
279.09271	23.5
279.16284	16.4
291.03873	14.3
304.10385	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1013
Annotation	H-Glu-Met-OH
Peak:m/z	Relative Intensity
53.03945	0.5
54.71170	0.5
55.01842	0.6
55.05506	3.4
55.83262	0.5
57.07082	3.6
60.08157	0.7
60.53416	0.5
62.51462	0.5
65.03944	0.6
67.05501	17.8
69.07059	3.6
69.33147	2.8
71.04986	0.5
71.08630	0.9
73.23349	0.5
74.44439	0.5
76.71027	0.5
79.05483	5.0
81.07053	16.0
83.08616	2.5
84.75244	0.5
84.87421	0.5
91.05465	2.0
93.07039	5.1
95.04961	0.9
95.08599	14.5
97.10152	1.0
99.08083	0.5
105.07061	0.8
107.08577	3.3
109.10155	7.1
111.08095	0.5
117.07052	1.0
119.08548	1.1
121.10145	3.1
123.11703	3.7
127.11221	0.7
129.07050	0.5
131.08553	1.4
135.11687	2.5
137.13268	1.9
145.10100	0.8
149.02336	10.7
149.13298	0.6
151.14807	0.6
163.14745	0.6
165.06998	1.1
166.07777	1.0
169.06436	1.0
173.13187	0.6
178.07860	0.6
179.08528	3.2
187.14799	1.1
189.06964	8.0
190.07764	38.7
191.08266	1.2
192.06474	0.7
202.07773	1.8
203.08514	3.5
204.09331	2.9
205.10112	42.7
206.10501	1.1
209.09692	1.0
215.08525	3.1
218.07243	9.7
219.05812	2.6
219.07642	0.8
232.08806	1.0
233.09587	61.8
233.22429	0.6
234.09903	2.2
243.09187	0.7
243.20967	0.7
246.06706	2.9
251.10667	0.8
261.09091	100.0
261.22110	1.4
262.09451	4.1
264.07733	0.6
278.21930	0.6
279.09906	9.4
279.13412	1.3
279.19931	1.0
279.23129	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	279.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05508	36.1
57.07075	5.3
57.98803	0.8
58.99583	16.2
60.08150	1.2
65.03938	0.8
67.04753	0.7
67.05460	1.1
69.03397	0.8
69.07796	0.7
70.22653	1.9
73.01126	1.9
76.02220	4.3
76.03988	2.6
79.05466	1.2
81.07069	0.9
81.44241	0.8
83.08614	28.3
84.08119	1.5
85.02903	5.0
86.03211	1.7
86.99048	14.0
88.02240	3.7
101.09644	1.4
107.08576	0.9
110.74861	0.7
113.35556	0.7
115.05767	0.8
116.01673	58.8
116.98564	0.9
121.02875	1.6
121.03958	0.8
122.86167	0.7
123.64908	0.7
135.08072	0.8
144.01135	25.4
146.06003	1.0
147.04390	0.8
147.67862	0.8
148.11227	3.7
149.02330	40.1
149.11559	6.3
150.02673	0.9
150.09164	5.9
159.08386	8.8
162.02188	100.0
163.07469	1.0
175.44193	0.7
244.10046	1.2
262.11093	18.3
269.96710	0.8
279.09271	0.7
279.14148	14.1
279.17493	2.2
280.11719	3.5
280.14908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80062	1.2
55.05510	1.6
56.38785	1.1
57.07074	1.9
60.08169	1.8
60.46772	1.1
61.01123	4.0
62.99068	1.2
64.87812	1.2
67.05503	3.9
68.54511	1.3
69.61395	3.0
69.61774	3.0
72.04514	1.9
72.83099	1.2
77.00603	33.9
79.02178	3.3
81.07065	4.5
82.07404	1.3
89.06010	7.0
95.01641	100.0
95.08607	4.3
106.61523	1.2
109.10173	1.4
113.02673	4.7
117.03732	2.0
118.03219	7.0
119.01585	3.9
121.03171	5.6
144.04636	1.4
145.06793	3.8
146.06035	1.9
147.04716	60.4
149.02328	17.3
151.02412	5.4
165.05806	8.6
167.05568	7.5
169.03487	35.8
183.14333	1.2
189.09413	37.0
193.07196	7.6
201.04660	2.4
219.05708	7.9
239.64200	1.3
279.09305	12.2
279.13620	1.5
279.26117	1.3
280.26349	1.4
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
57.03427	0.3
57.05815	0.5
57.07070	2.9
58.06618	0.4
61.95571	0.3
67.05514	0.5
69.06714	0.7
69.07068	11.8
70.39273	0.8
79.05490	0.9
81.07050	0.4
86.09703	100.0
87.10044	1.1
91.05460	0.6
93.07037	0.5
94.94405	0.3
98.97575	3.2
103.05489	0.5
105.07045	0.6
107.08576	1.3
113.53006	0.4
116.98603	1.7
120.08105	10.4
121.02852	1.1
131.04854	0.5
135.08055	0.9
149.02339	20.3
149.11543	0.8
150.02603	0.5
158.99648	0.8
163.07512	0.4
166.08632	5.2
177.00749	1.5
233.17093	0.7
279.17490	3.5
280.15384	0.4
280.19159	0.7
300.62308	0.4
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	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.49977	0.5
57.07075	3.1
67.05513	0.6
69.07063	0.8
70.50594	1.3
79.05497	1.5
86.09699	100.0
87.10027	1.1
91.05481	1.7
93.07060	1.1
97.02919	0.7
103.05476	2.1
107.08572	2.2
108.83591	0.6
120.08096	54.1
121.02844	1.2
135.08031	1.9
149.02333	22.7
163.07507	1.7
165.10960	0.8
165.68513	0.6
166.08624	9.6
177.05453	0.8
178.73265	0.7
233.16762	1.3
279.10049	1.2
279.17374	4.9
280.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1742
Annotation	Multicaulin
Peak:m/z	Relative Intensity
54.11778	0.9
55.01852	0.9
55.05499	2.1
56.96560	1.2
57.03437	0.9
57.07069	4.2
61.09880	0.7
64.12822	0.7
65.03941	0.8
65.05877	0.7
66.20615	0.7
67.05497	2.4
69.03428	1.0
69.07065	1.4
71.05006	1.0
75.17676	0.7
79.05483	3.0
81.03411	5.8
81.07056	2.9
83.08616	1.8
91.05473	2.9
93.07039	3.2
95.04961	4.4
95.08606	4.4
98.97598	1.0
104.99270	0.8
105.07018	3.9
107.04993	4.4
107.08575	1.3
109.06509	5.6
117.07048	1.0
119.08602	6.9
121.02872	1.0
121.06465	4.9
128.06268	1.2
129.06972	1.7
131.04895	1.8
131.08543	1.4
133.06566	1.0
133.10097	1.6
135.08069	1.8
141.06956	1.2
142.07806	2.5
143.08566	3.1
145.06483	2.4
145.10161	1.6
147.11650	1.6
149.02336	28.7
153.07008	1.3
154.07750	1.1
155.08525	3.6
156.09341	3.8
157.10126	7.1
159.08104	0.9
159.11703	1.3
165.07005	3.8
166.07797	2.7
167.08522	3.6
169.10089	4.4
170.10887	1.7
171.11679	18.3
178.07823	0.9
179.08583	4.7
180.09320	3.1
181.06467	1.0
181.10101	5.3
182.10847	1.6
183.08128	1.7
183.11647	4.3
185.09613	1.5
185.13234	5.3
191.08565	0.9
192.09396	1.9
193.10109	5.8
194.07347	0.9
194.10922	3.6
195.08112	3.8
195.11690	6.7
196.08800	0.7
196.12354	1.2
197.09605	2.1
197.13254	9.6
198.13986	1.8
203.08618	0.8
205.10150	2.6
206.10873	4.9
207.08060	5.0
207.11676	7.6
208.08847	3.8
208.12373	3.1
209.09625	19.7
209.13109	5.7
210.10187	1.5
211.11198	1.5
211.14832	2.3
217.10162	2.0
218.10835	1.1
219.05672	2.7
219.11641	3.0
219.13617	0.9
220.08902	1.4
220.12480	2.3
221.09634	5.2
221.13226	8.3
222.10501	3.5
222.13971	2.1
223.11179	12.1
223.14781	3.4
224.11938	1.4
231.11742	4.7
232.12480	2.2
233.13243	1.6
234.10529	0.8
235.11192	10.0
235.14697	4.2
236.11954	5.7
236.15569	1.8
237.12758	11.0
237.16432	2.2
246.13960	4.6
249.12804	7.3
250.13538	7.3
251.14273	3.4
251.17946	4.0
261.16330	6.0
264.15118	8.3
279.09427	4.9
279.17438	100.0
280.17831	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	279.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05508	2.8
57.03433	1.1
57.07069	1.4
62.82755	0.5
65.03930	0.5
67.05502	2.2
67.55328	0.6
69.03435	0.5
69.07057	2.2
69.35368	2.6
73.84218	0.5
79.05479	2.8
81.03419	5.7
81.07046	2.5
83.08598	1.1
91.05463	2.7
93.07027	2.5
95.04961	3.2
95.08618	2.8
105.07012	3.0
105.75837	0.5
107.04934	3.6
107.08591	1.5
109.06508	5.8
109.10178	0.7
117.07021	1.2
119.08572	5.8
120.49204	0.5
121.06497	6.9
121.10133	0.6
123.08031	0.7
128.06174	0.9
129.07008	1.1
131.04836	1.0
131.08562	0.8
133.06479	2.0
133.10136	1.9
135.08058	1.8
141.06944	1.4
142.07765	2.0
142.83723	0.5
143.08585	2.7
145.06451	2.3
145.10110	2.0
147.11661	0.6
149.02350	5.4
152.06268	0.5
153.06995	1.5
154.07788	0.7
155.08540	3.0
156.09332	3.6
157.06447	0.9
157.10158	5.5
159.08061	1.2
159.11699	1.6
165.06989	5.2
166.07753	2.4
167.08585	3.2
168.09416	0.7
169.06516	0.7
169.10135	4.0
170.10893	2.4
171.08020	1.6
171.11674	17.7
173.09569	1.2
178.07825	1.4
179.08548	5.7
180.09328	3.9
181.06450	2.2
181.10130	6.5
182.07254	0.8
182.10919	1.6
183.08054	1.5
183.11668	4.4
185.09639	1.5
185.13237	6.5
190.07854	0.7
191.08531	1.2
192.09344	1.9
193.10117	5.9
194.07242	1.1
194.10907	4.5
195.08067	3.6
195.11684	8.1
196.08894	0.6
196.12450	1.3
197.09627	3.0
197.13254	10.0
198.13919	1.5
203.08664	1.2
204.09232	1.3
205.10118	1.7
206.10907	3.3
207.08069	4.5
207.11693	8.3
208.08844	5.1
208.12427	2.2
209.09616	23.5
209.13144	6.4
210.10100	1.0
211.11192	1.9
211.14786	2.0
217.10074	2.3
218.10876	0.8
219.11664	2.8
220.08835	0.8
220.12433	2.1
221.09616	6.1
221.13188	6.3
222.10477	3.7
222.13989	1.7
223.11179	12.5
223.14638	3.5
224.11847	1.2
231.11688	4.7
232.12442	1.7
233.13225	2.3
234.10362	1.0
234.14127	0.7
235.11191	9.6
235.14780	3.8
236.11940	7.5
236.15544	2.2
237.12714	11.8
237.16428	1.7
238.13130	0.7
245.13889	0.5
246.13982	4.3
249.12721	7.0
250.13483	8.3
251.14224	3.1
251.17987	4.7
261.16373	7.8
264.15112	5.9
279.17422	100.0
280.17798	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	279.1744
Annotation	Multicaulin
Peak:m/z	Relative Intensity
53.03935	1.9
54.20337	0.7
55.01856	1.3
55.05488	3.3
56.32721	0.6
57.03421	1.5
57.07058	3.2
67.05489	5.4
69.03396	0.8
69.07056	2.8
69.62098	2.8
71.66817	0.6
79.05477	4.6
81.03410	17.1
81.07043	5.0
82.06555	0.8
83.08594	1.3
91.05480	3.6
93.07030	3.3
94.06555	1.1
95.04951	7.9
95.08595	3.7
103.05421	0.8
105.07015	3.6
107.04913	4.3
107.08593	2.9
109.06516	8.8
109.10143	1.2
116.98621	0.9
117.06990	2.3
119.08578	10.1
121.06501	8.5
121.10119	1.0
123.08046	1.4
129.06975	1.6
131.08551	1.3
131.54401	0.7
133.10127	2.9
134.79240	0.7
135.08049	3.2
141.06992	3.3
142.07794	2.3
143.08537	2.7
145.06485	2.1
145.10143	3.6
147.07977	1.1
147.11658	1.5
149.01225	1.5
149.02332	18.6
153.07039	1.8
154.07794	0.8
155.08543	3.2
156.09320	5.3
157.10100	9.5
159.08063	1.5
159.11736	1.8
165.06956	4.4
166.07773	2.4
167.08565	5.0
168.09297	1.0
169.06456	7.0
169.10097	5.4
170.10892	2.7
171.11673	23.2
173.09616	1.2
178.07713	1.2
179.08513	6.5
180.09297	3.3
181.10100	7.4
182.10876	6.1
183.11696	6.2
185.09613	1.9
185.13223	6.6
189.07013	1.5
190.07767	9.6
191.08379	2.1
192.09285	4.0
193.10091	7.2
194.07224	1.4
194.10909	5.8
195.08080	2.5
195.11665	9.3
196.12540	1.3
197.09578	1.7
197.13237	28.5
198.13826	1.4
202.07718	0.9
203.08554	1.8
204.09357	2.2
205.10110	18.3
206.10867	7.4
207.07976	1.5
207.11659	13.8
208.08853	4.0
208.12317	3.9
209.09608	15.6
209.13208	7.6
210.10167	0.9
211.11143	3.1
211.14746	4.4
215.08624	0.9
216.09267	1.0
217.10120	3.0
218.07281	3.3
218.10742	1.6
219.05693	1.9
219.11688	3.1
220.08856	2.0
220.12349	3.8
221.09685	3.5
221.13216	10.3
222.10379	2.9
222.13988	2.9
223.07716	1.1
223.11191	13.6
223.14662	6.1
224.11772	1.4
231.11652	5.0
232.12405	4.3
233.09625	19.9
233.13116	3.9
233.55826	0.8
234.10236	2.0
234.13945	1.0
235.11174	12.2
235.14705	9.2
236.11894	5.9
236.15517	1.9
237.09021	2.3
237.12746	9.6
237.16377	2.3
246.06548	1.3
246.14018	6.6
247.14734	0.9
249.12743	6.3
249.16243	1.5
250.13490	14.2
251.14238	3.7
251.17935	6.6
261.09116	17.6
261.16330	13.5
262.09549	1.2
262.16586	0.9
263.14218	1.0
264.15057	6.5
265.15707	0.7
279.10138	35.8
279.17416	100.0
280.10297	2.2
280.17697	5.0
280.26346	7.1
299.94907	0.7
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	Gorlic acid
Peak:m/z	Relative Intensity
50.83189	0.9
55.05510	7.9
57.07079	3.6
65.03935	2.8
67.05500	100.0
69.07069	6.7
71.04991	1.3
71.08633	1.2
71.61993	0.9
79.05483	13.8
79.15901	0.8
81.07050	97.8
83.04964	2.0
83.08604	7.1
85.06513	1.9
87.04435	1.0
91.05473	5.0
93.07043	12.0
95.04986	1.3
95.08601	74.9
97.06536	1.9
97.10157	1.7
105.07012	4.5
107.08585	6.8
109.06528	1.3
109.10149	23.3
111.08125	1.1
111.58221	0.8
117.07023	1.9
119.08611	3.0
119.45924	0.9
121.10115	8.6
123.08076	1.2
123.11710	13.0
131.08517	5.0
133.10132	2.8
135.08104	1.7
135.11667	6.0
137.09558	1.1
137.13251	12.1
145.10152	3.8
147.11691	3.3
149.02316	12.6
149.09637	1.2
149.13249	3.9
151.14828	3.6
159.11690	3.2
161.13274	1.9
163.11191	2.2
163.14819	2.1
173.13290	6.9
177.12769	2.8
179.14496	1.0
181.12273	2.0
187.14879	3.5
191.14330	2.8
195.13782	2.1
201.04659	0.9
205.15865	1.0
209.15305	2.5
219.05678	6.9
223.16933	3.6
227.41371	1.0
238.22992	1.0
243.21049	1.9
261.22150	3.3
279.09329	10.5
279.23135	18.4
280.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.01889	0.4
55.05511	9.1
57.03438	0.9
57.07067	2.1
65.03938	2.7
67.05503	96.4
68.05837	1.4
69.07069	10.3
69.07444	0.6
71.04983	1.1
71.08640	0.6
72.04195	0.3
79.05489	14.6
81.07054	100.0
82.07401	1.3
83.03313	0.4
83.04991	1.1
83.08620	5.0
85.06523	1.6
91.05473	4.7
91.44704	0.4
93.07044	13.7
95.04981	1.1
95.08603	81.3
96.08913	0.9
97.06551	1.6
97.10170	2.7
99.08092	0.6
105.07011	3.1
107.08591	8.3
107.09260	0.6
109.06518	1.3
109.10152	47.1
110.10489	1.3
111.08076	0.8
111.11735	1.0
117.07024	1.1
119.08568	3.4
121.06502	0.5
121.10141	7.4
123.08076	1.5
123.11706	25.3
125.09644	0.6
127.07559	0.5
131.08586	3.7
133.10123	2.2
135.08069	1.3
135.11685	4.6
137.09589	0.8
137.13248	8.8
138.53027	0.5
139.11172	0.5
141.09084	0.4
145.10106	3.2
147.11661	2.7
149.02330	4.9
149.09633	1.4
149.13255	2.8
151.11209	1.0
151.14816	2.6
153.09099	0.6
155.10666	0.5
159.11691	2.2
161.13284	2.3
163.11172	1.4
163.14870	1.3
165.12750	1.3
165.16426	1.0
167.10686	0.9
173.13264	2.8
175.14781	0.4
177.12737	1.8
177.16406	0.8
179.14297	0.8
181.12183	1.7
187.14830	3.2
191.14336	1.3
195.13739	2.2
201.16440	0.9
205.15942	0.9
209.15358	3.1
213.88992	0.4
219.05701	0.5
219.21027	0.9
223.16924	3.2
233.22479	0.4
237.18497	1.5
243.21028	2.5
250.18430	0.4
261.22168	4.2
269.57581	0.4
279.09464	1.6
279.19797	2.2
279.23178	36.8
280.23413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03948	0.6
55.01879	0.7
55.05510	9.5
57.03427	0.7
57.07068	3.0
65.03955	2.5
67.05502	99.4
68.05864	0.5
69.07067	9.3
71.04993	1.2
72.16664	0.4
73.06570	0.4
73.24894	0.4
75.87868	0.4
79.05489	12.6
81.03425	1.9
81.07053	100.0
82.07372	0.8
83.04981	1.1
83.08625	5.0
85.06546	1.5
87.60677	0.5
91.05477	5.0
93.07040	12.4
93.48444	0.5
95.04962	1.7
95.08601	79.3
96.08941	1.1
97.06526	1.6
97.10154	3.1
99.08057	0.6
105.04536	0.7
105.07018	3.5
107.04969	0.5
107.08591	8.6
109.06525	1.8
109.10152	44.2
111.08060	0.5
111.11703	0.8
117.07033	1.8
119.08580	4.1
121.02898	0.6
121.06509	1.0
121.10136	7.4
123.08087	1.5
123.11704	25.3
127.07533	0.9
131.08559	3.6
132.64346	0.5
133.10100	3.3
135.08080	1.0
135.11673	5.7
137.09619	1.5
137.13249	9.9
143.08495	0.5
145.10124	3.3
147.11693	2.8
149.02357	6.4
149.09621	1.6
149.13284	3.4
151.11201	0.6
151.14827	2.5
156.09311	0.7
157.10126	0.8
159.11647	2.8
161.13268	2.3
163.11160	1.5
163.14830	1.8
165.12785	1.2
165.16385	1.1
167.08562	0.7
167.10657	1.4
169.10115	0.7
171.11638	1.2
173.13316	3.3
177.12769	1.7
177.16467	0.6
179.14238	0.6
180.09264	0.6
181.12259	1.4
185.13264	0.5
187.14822	2.7
191.14328	1.4
194.10884	0.7
195.11771	0.9
195.13797	1.9
197.13326	2.6
205.10237	0.5
205.15939	0.9
207.11668	1.1
209.09615	1.1
209.13425	1.0
209.15378	2.8
219.05643	0.6
219.20998	0.9
223.11250	1.1
223.14871	0.8
223.16881	3.3
235.11134	1.1
235.14848	0.8
236.11929	0.8
237.18565	1.2
243.21136	2.5
250.13426	1.6
251.17760	0.7
261.16412	1.3
261.22162	3.7
279.09338	1.8
279.17389	8.7
279.23169	41.9
280.23492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.05505	6.7
57.07064	2.2
60.20323	0.8
65.03938	3.0
67.05501	99.0
68.05843	0.8
69.07063	8.5
69.78316	2.5
71.05003	1.0
79.05486	14.0
81.07053	100.0
82.07391	1.5
83.04993	1.1
83.08628	4.8
85.06551	2.4
85.81577	0.8
91.05482	3.9
93.07037	12.3
95.08602	78.4
96.08954	1.5
97.06488	1.6
97.10159	2.5
99.08115	0.9
105.07041	2.5
107.08584	7.9
109.06520	1.4
109.10151	23.7
111.08087	1.2
111.11720	1.0
117.07025	1.7
119.08558	4.0
121.10147	7.8
123.08115	1.6
123.11701	15.5
127.07539	1.1
131.08575	5.2
133.10146	2.3
135.08076	1.4
135.11694	5.3
137.09584	0.9
137.13252	9.2
145.10118	2.1
147.11684	2.2
149.02338	6.5
149.09634	1.6
149.13228	4.2
151.11165	1.3
151.14767	3.8
153.09073	0.8
159.11716	3.5
161.13303	1.9
163.11214	2.0
163.14838	2.2
165.12706	0.9
167.10692	1.0
173.13266	5.5
177.12772	2.7
179.14386	0.7
181.12195	1.3
187.14854	2.4
191.14297	1.3
195.13805	2.8
209.15443	4.5
223.17014	2.1
237.18639	1.1
243.21146	1.0
261.22195	3.3
279.09412	1.2
279.17407	0.9
279.23178	18.7
279.26093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01870	3.0
57.03436	6.6
57.07074	1.5
61.02919	1.6
65.03932	2.5
67.05495	2.5
69.03426	24.0
71.04993	5.0
71.43085	1.2
73.02914	2.3
79.05502	11.2
81.03412	14.4
81.07050	17.3
83.04977	3.1
83.59418	0.9
84.04501	13.2
85.02907	13.5
91.05463	14.6
93.07038	6.0
94.04187	3.2
95.04948	5.0
95.06119	1.0
95.08591	1.1
97.02887	11.5
99.04456	8.9
105.04491	1.1
105.07020	4.2
107.04961	8.7
109.02870	4.8
109.06519	40.1
110.74973	1.0
111.04438	1.9
115.05437	1.3
117.07063	1.6
119.04985	6.1
119.06062	100.0
120.08067	1.6
121.02892	1.2
121.06502	4.2
127.03915	6.5
128.06226	2.2
129.07007	1.0
130.04991	3.9
133.06482	2.6
134.05934	1.3
135.04402	12.2
136.06166	1.5
137.05972	62.7
142.00546	0.9
142.15024	0.9
144.06613	1.3
145.04976	2.0
145.06413	1.8
147.04480	1.1
147.08005	2.3
149.05989	2.0
151.02866	1.2
152.07062	14.2
153.05472	1.0
161.06010	4.5
163.07581	2.9
167.89569	1.0
171.08057	1.9
176.07036	1.9
187.07553	1.3
191.07010	1.1
201.17763	1.1
218.08018	1.3
263.09219	1.6
263.13541	1.3
264.08661	4.2
281.10413	12.7
281.15033	2.4
283.03159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05504	0.5
56.05026	0.4
56.96544	0.4
65.03894	0.4
67.05481	1.1
69.03417	0.4
69.07041	1.0
72.94353	0.3
79.05471	0.8
81.07037	1.2
82.57375	0.3
83.08591	0.3
85.42786	0.3
93.07039	0.5
95.08593	0.9
96.08958	0.3
98.97580	1.2
104.99269	0.6
106.59645	0.2
107.08578	0.7
116.98611	0.9
121.02884	0.5
121.10210	0.3
123.11655	0.3
129.06882	0.3
133.10127	0.3
134.99644	0.5
135.08031	0.3
142.07730	0.3
153.06953	0.4
155.08600	0.5
165.06978	1.1
169.06456	2.5
176.06255	0.3
178.07774	2.5
178.23111	0.3
179.08562	3.8
189.07008	0.6
190.07738	1.3
191.08556	5.7
192.09326	38.3
193.10078	4.7
194.07312	0.4
195.08099	0.5
202.07753	11.3
203.08516	1.9
204.09319	1.1
205.06441	1.7
205.10114	0.7
206.07259	1.5
207.08118	4.5
207.11670	16.2
208.12022	0.5
215.08543	0.5
216.09363	0.5
217.10121	9.1
218.07326	0.8
218.10786	0.5
219.08009	3.6
220.08824	18.9
221.05983	0.8
221.09587	3.5
222.06735	0.4
223.07529	0.3
233.05930	0.3
233.09657	0.6
234.10278	0.5
234.92023	0.4
235.11157	100.0
236.11494	4.5
245.09569	0.5
248.08232	1.6
258.99750	0.7
263.10657	47.9
264.10956	2.4
277.00818	1.4
280.26312	1.4
281.11719	12.2
281.26593	2.2
282.11929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
56.96540	1.5
57.03431	0.7
60.08140	0.8
60.71870	0.7
65.03927	0.6
65.42853	0.6
66.37761	0.6
69.03438	3.1
69.32710	1.1
69.33107	2.0
72.08110	0.7
81.03387	1.3
81.07037	0.8
84.04459	2.3
91.05458	0.8
98.06039	5.8
98.97576	9.5
109.06487	0.8
112.07599	10.1
116.98618	8.0
119.01897	1.0
119.06013	1.0
120.08066	2.1
122.04528	1.0
130.06482	1.5
134.99644	3.2
135.04410	1.5
137.05931	1.2
140.05518	5.7
142.03465	1.1
146.14008	0.7
149.82773	0.6
150.07703	4.0
152.05608	1.3
152.06898	2.5
158.06622	50.4
159.06679	2.4
160.04492	0.8
168.62547	0.8
170.06602	2.3
176.07681	32.0
177.00906	1.4
177.07739	1.3
184.04494	4.3
186.05933	1.1
188.07642	8.2
202.05592	2.7
204.06554	1.3
207.09770	1.4
211.09259	1.6
219.01923	2.2
225.10805	25.6
226.11087	1.1
229.10255	0.7
233.11331	1.0
239.12370	5.7
243.11897	19.2
244.12198	0.9
251.12378	85.7
252.12590	4.9
252.39330	0.7
256.97418	1.0
257.13324	1.8
258.34409	0.6
258.99771	5.2
263.12378	40.1
264.12573	2.5
266.99777	0.6
269.13434	62.0
270.13583	3.0
277.00717	7.8
279.11859	0.9
281.13431	100.0
282.13657	5.1
298.98361	0.8
299.05814	0.7
304.15121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22538	1.6
76.13313	0.3
78.48396	0.3
84.08159	0.2
91.62298	0.2
92.05009	0.7
93.03955	0.2
94.06569	4.2
96.04459	0.4
98.22761	0.4
110.06033	1.4
126.50754	0.2
137.06018	0.5
137.07097	12.6
138.05496	100.0
138.07260	11.0
139.05840	1.5
144.10190	11.7
152.07040	0.4
158.11777	0.7
202.09253	0.4
203.27118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
55.01866	12.2
55.05502	20.0
57.03437	21.1
57.07076	5.3
65.45351	4.6
67.05505	37.1
68.99783	7.2
69.03420	13.0
69.07072	21.0
69.86298	14.3
70.06586	5.3
71.04982	12.4
76.22277	4.4
79.05486	32.7
81.07055	92.3
82.67029	4.5
83.04980	42.2
83.08618	14.5
85.06540	14.2
91.05469	43.7
93.07043	89.3
95.04964	22.1
95.08609	63.9
97.06535	42.5
98.22764	9.5
98.97593	9.2
99.04460	5.0
99.08108	9.0
105.07023	100.0
107.08591	55.2
109.06521	51.4
109.10153	52.1
111.08088	43.5
113.09619	8.3
116.46952	4.5
116.98616	5.3
117.07023	9.8
119.08578	84.0
121.06503	17.8
121.10140	30.7
123.08065	67.0
123.11718	15.1
125.06007	13.1
125.09616	17.1
127.07548	53.7
131.08586	19.7
133.10132	32.1
135.08064	20.3
135.11691	15.0
136.08820	4.9
137.09566	32.9
139.07523	32.2
143.07036	9.2
143.08582	14.6
145.06479	4.9
145.10135	33.4
147.08022	13.5
147.11685	68.1
149.09604	25.1
149.13249	19.3
151.07533	4.6
151.11179	8.2
153.09113	11.9
157.08630	13.4
157.10117	19.7
159.08018	4.4
159.11641	22.0
161.09602	8.8
161.13269	34.8
163.11140	29.2
165.12729	6.7
171.11775	4.9
175.11272	6.6
175.14792	25.1
177.16460	5.3
179.14267	13.6
179.15779	4.6
183.11876	5.2
185.13289	24.3
189.12688	11.8
189.16402	6.1
193.15886	21.9
199.14828	12.7
201.16396	12.7
203.14275	43.7
207.13791	5.9
209.11682	8.6
217.15814	14.9
219.17519	6.1
221.15355	95.4
227.14339	10.6
237.18599	24.0
245.15398	42.7
254.06310	5.1
259.00009	5.6
263.16400	62.8
266.02512	4.8
277.00803	11.4
281.17465	97.3
282.09384	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01869	5.6
55.05508	36.8
57.03434	29.1
57.07068	2.2
63.12879	1.2
65.03936	4.1
67.05501	91.5
69.03426	2.1
69.07066	17.7
69.45566	5.8
71.05000	4.3
73.06569	2.6
79.05486	100.0
81.03408	14.8
81.07052	71.5
83.04974	34.4
83.05444	2.6
83.08608	10.0
85.06567	1.6
86.06062	14.0
87.04460	2.9
91.05473	75.9
93.07039	75.7
95.04966	34.8
95.08604	46.2
95.09219	2.4
96.20113	1.3
97.02913	3.8
97.06535	7.8
97.10152	6.6
98.97583	4.0
99.08109	1.6
99.21036	1.3
104.07124	2.8
104.99303	2.0
105.04519	5.4
105.07021	59.5
107.04949	10.0
107.08585	24.3
107.09267	2.3
109.02892	2.2
109.06528	10.6
109.10150	9.3
111.08073	3.6
115.05471	2.4
116.98622	2.9
117.07017	10.2
119.08572	36.5
121.06516	5.6
121.10150	6.1
123.08058	9.8
127.07552	2.7
128.06256	3.5
129.07004	19.1
131.08578	4.0
133.06494	2.6
133.10110	16.7
134.99658	2.2
135.11688	3.2
137.09587	1.8
139.11099	1.6
141.09073	1.8
143.08554	8.7
145.06483	1.6
145.10152	11.3
147.07996	3.0
147.11678	44.1
156.09331	2.9
157.10107	2.3
159.11687	1.7
161.09602	6.8
161.13248	14.4
161.85608	1.4
163.11142	2.4
169.10112	2.7
171.11687	29.1
183.11754	1.4
189.12718	10.0
197.09464	1.4
199.14786	8.2
202.14636	1.4
207.11891	2.1
207.13771	9.9
258.99844	3.2
277.00803	3.2
281.17285	32.7
281.22116	2.4
282.17801	1.7
299.06226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03949	5.7
55.01867	5.4
55.05509	33.0
57.03435	29.5
57.03711	0.9
57.07057	1.8
65.03938	4.0
67.05502	81.7
68.05807	1.2
69.03398	2.5
69.07064	16.6
69.28216	1.7
69.28623	3.9
71.04955	2.8
73.06525	2.1
77.03888	2.4
79.05490	100.0
80.05804	1.2
81.02981	1.0
81.03413	14.8
81.07052	62.7
83.04980	32.5
83.08614	8.5
85.06503	3.2
86.06068	5.8
87.04443	1.6
91.05476	68.2
92.05772	1.5
93.07040	65.1
94.07334	1.6
95.04967	33.3
95.08601	36.6
97.02821	2.4
97.06522	6.0
97.10143	5.1
98.97552	2.5
99.08045	1.5
103.05440	1.9
105.04528	3.9
105.07026	44.9
107.04938	8.3
107.08591	22.3
109.06508	7.7
109.09557	0.8
109.10153	10.2
111.08050	1.9
115.05396	1.7
116.98568	1.5
117.07013	9.8
119.06038	1.0
119.08575	30.3
121.06443	3.5
121.10130	5.9
123.08051	7.2
125.09572	1.8
127.07539	1.4
128.06169	3.0
129.07001	16.9
130.07693	1.2
131.08548	4.0
131.09360	0.7
133.06444	1.6
133.09189	1.3
133.10109	15.3
135.11621	2.8
137.09564	1.8
142.07776	1.3
143.08563	9.5
145.09135	0.9
145.10104	10.6
147.07977	3.5
147.11678	35.3
150.02631	1.0
156.09331	1.6
157.10077	1.7
159.11638	0.8
161.09589	4.4
161.13246	14.9
163.11128	1.0
165.09151	1.0
169.10088	1.1
171.11678	26.5
172.12013	0.9
179.14220	1.8
184.12508	1.1
185.13211	1.0
185.62453	0.8
189.12717	9.4
193.09970	0.8
199.14810	5.8
207.11931	1.3
207.13792	11.9
258.99692	1.2
277.00693	1.2
281.17310	27.9
282.17590	1.7
282.20425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	6.3
54.10249	1.0
55.01862	5.5
55.05505	31.7
57.03434	32.5
57.07059	1.5
65.03930	4.8
67.05500	83.1
68.05829	1.2
69.03413	2.8
69.07066	13.1
70.79527	1.4
71.04982	3.4
73.06564	1.6
76.46629	1.2
77.03901	3.0
79.05488	100.0
81.03402	16.2
81.07050	68.2
83.04975	36.9
83.08608	7.1
87.66417	1.1
91.05473	71.8
92.05788	1.3
93.07039	72.6
95.04964	33.6
95.08601	41.1
95.09209	2.0
97.02898	1.8
97.06509	6.4
97.10144	6.0
98.62603	1.1
98.97575	2.0
99.08105	1.2
103.05391	1.7
105.04504	4.1
105.07024	53.1
107.04945	7.8
107.08586	21.4
109.06505	9.6
109.10141	7.2
111.08070	2.9
117.07010	9.8
119.08575	32.6
121.06496	3.0
121.10165	5.5
123.08059	7.7
123.11663	1.2
124.16861	1.1
125.09582	1.6
127.07536	1.9
128.06200	3.0
129.06992	21.2
130.07765	1.2
131.08568	4.4
133.10114	14.6
135.08015	1.4
135.11652	2.6
137.09592	1.2
143.08546	9.2
145.10101	10.5
145.70802	1.3
147.08025	3.2
147.11681	37.4
147.12863	1.8
156.09343	2.1
159.11626	1.4
161.09584	5.2
161.13251	16.1
165.09061	1.2
171.11667	29.4
179.14345	1.5
189.12737	9.7
199.14699	1.5
207.13811	12.1
217.20522	1.1
227.31758	1.4
258.58142	1.4
281.17438	32.0
282.17871	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.22094	0.9
53.03936	6.5
55.01868	3.9
55.05510	36.5
57.03434	27.3
57.07077	1.2
57.29567	0.9
65.03944	4.3
67.05500	85.7
68.05843	1.5
69.03414	1.6
69.07067	15.0
69.23102	1.0
71.04993	4.1
73.06557	2.7
77.03937	2.1
79.05489	100.0
81.03415	16.1
81.07054	63.6
82.07412	1.1
83.04979	38.7
83.08617	9.4
85.06527	3.0
91.05476	70.1
93.07040	65.7
95.04961	29.8
95.05530	2.1
95.08600	36.3
97.06531	5.3
97.10152	6.4
98.97601	4.6
104.99294	1.3
105.04514	4.1
105.07023	50.9
107.04948	10.9
107.07902	0.9
107.08582	25.6
109.06526	8.2
109.10126	5.8
111.08103	1.5
116.98553	1.5
117.07011	9.9
119.08582	30.3
121.06537	4.3
121.10152	5.7
123.08086	9.1
127.07517	1.8
128.06250	1.9
129.06987	18.3
131.08565	3.8
133.10120	16.0
135.08116	2.0
135.11696	3.4
141.06979	1.6
141.09126	2.5
143.08569	8.7
145.10120	12.3
147.08063	3.0
147.11674	36.6
148.11978	1.3
159.11665	1.2
161.09602	5.0
161.13255	16.6
163.11201	1.5
171.11690	29.8
189.12733	12.6
199.14787	1.5
207.13768	14.3
258.99808	1.7
277.00766	1.3
281.17459	35.5
282.17804	2.5
299.05887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01859	4.8
55.05254	2.8
55.05504	34.8
56.96556	2.0
57.03432	29.6
60.47524	1.6
62.22406	1.6
65.03917	2.0
67.05498	80.5
69.07062	18.2
69.53262	6.3
71.04972	3.4
73.06549	3.7
77.03919	2.6
79.05485	100.0
80.05833	2.0
81.03404	15.1
81.07050	65.5
82.55635	1.8
83.04971	36.8
83.08603	6.4
85.06532	3.0
91.05471	71.7
93.07037	68.0
95.04958	37.4
95.08596	38.0
97.02856	2.6
97.06521	6.8
97.10151	5.0
98.97583	6.2
105.04505	5.3
105.07018	49.9
107.04954	7.9
107.08589	22.3
109.06478	8.7
109.10136	9.0
115.05421	2.2
116.98618	3.9
117.07018	10.9
119.08564	35.8
121.06504	4.2
121.10148	4.8
123.08057	11.2
127.07589	2.3
128.06204	4.1
129.06982	21.3
131.08548	4.2
133.10114	15.3
134.99641	2.3
135.11691	3.7
143.08546	9.7
145.10117	10.8
147.08032	3.7
147.10564	3.0
147.11670	37.9
156.09380	3.2
157.10107	6.4
159.11632	1.6
161.09621	5.8
161.13272	13.8
171.11668	35.6
179.14343	1.7
184.12459	2.5
189.12706	13.1
199.14813	16.9
207.12061	1.9
207.13759	9.6
237.16475	2.5
239.14172	2.4
247.42528	1.8
258.99814	2.2
277.00735	5.2
281.17053	30.1
299.06107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.19
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
50.93336	0.4
53.03941	0.9
54.18897	0.4
55.01878	2.1
55.05510	6.0
57.03436	0.7
57.07069	1.6
67.05504	3.0
69.03419	1.0
69.06717	0.4
69.07066	6.9
71.42973	0.4
79.05495	3.0
81.03419	5.9
81.07056	3.8
83.04954	0.8
83.08614	4.0
85.10182	1.0
91.05476	3.7
93.07033	3.7
95.04984	3.5
95.08604	5.8
97.10171	1.4
98.97584	1.2
103.05417	0.4
103.13255	0.4
104.99260	0.4
105.07030	4.5
107.04978	2.0
107.08591	3.4
109.06531	4.6
109.10153	4.2
111.11724	0.5
115.05443	0.8
117.07006	3.3
119.08577	4.3
121.06503	4.4
121.10117	3.0
121.19306	0.4
123.08073	1.3
123.11693	1.2
126.05288	0.4
128.06223	1.8
129.07034	2.3
130.07846	0.6
131.04924	2.8
131.08554	4.0
133.06483	2.1
133.10133	3.5
135.08020	1.5
135.11667	1.5
136.14424	0.4
137.13219	0.5
141.06972	2.9
142.07784	2.9
143.08554	5.2
145.06470	9.7
145.10121	3.7
147.08035	2.0
147.11687	3.5
149.13313	1.0
152.06244	0.4
153.07001	1.4
154.07730	1.1
155.08551	6.9
156.09381	2.6
157.06474	0.9
157.10129	6.2
158.10849	1.0
159.08029	4.9
159.11676	4.2
161.09586	1.1
161.13289	1.0
165.06950	1.1
166.07747	1.1
167.08572	2.8
168.05792	0.6
168.09337	2.8
169.06485	2.8
169.10141	7.3
170.07198	0.6
170.10866	1.1
171.08078	3.4
171.11690	5.8
172.08612	0.4
173.09641	6.2
173.13243	6.8
175.11221	0.6
178.07814	1.5
179.08585	2.5
180.09372	0.7
181.06514	2.2
181.10103	5.0
182.07309	2.6
182.10883	2.0
183.08066	6.8
183.11687	7.8
184.08762	1.5
184.12410	0.8
185.09615	8.1
185.13258	2.8
186.10405	0.5
187.11134	2.3
187.14803	2.3
191.08543	0.6
192.09334	1.4
193.10129	4.3
194.10857	0.7
195.08061	1.7
195.11664	2.9
196.08820	5.9
196.12363	1.1
197.09612	15.7
197.11482	0.8
197.13263	5.1
198.10286	1.3
198.13905	0.5
199.11177	7.1
199.14809	5.8
200.15366	1.0
205.10126	0.9
206.10942	0.6
207.11678	3.5
208.08975	0.4
208.12498	1.0
209.09601	1.5
209.13199	2.6
210.10342	2.7
210.14038	0.7
211.11182	28.7
211.14809	2.6
212.11844	3.1
213.12711	1.9
214.26387	0.4
219.11667	2.0
220.12570	0.5
221.13210	2.3
222.10416	0.7
222.13988	0.5
223.11191	2.6
223.14616	2.3
224.11938	0.9
224.15504	0.5
225.12740	15.7
225.16116	2.0
226.13300	1.4
233.13142	1.1
234.13979	1.2
235.14851	1.0
237.12781	3.5
237.16423	1.8
238.13493	4.1
239.14352	5.5
239.16583	0.6
239.17903	0.9
248.15617	1.6
251.14262	3.3
252.15048	1.8
253.15919	2.8
253.19485	3.1
258.99854	0.6
263.17932	5.1
266.16632	4.6
277.00574	0.5
281.18985	100.0
282.19348	4.8
282.27847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70525	0.4
53.43476	0.4
55.95771	0.5
56.96284	0.7
56.96563	14.4
56.96840	1.0
69.90492	1.3
71.95271	1.1
98.97574	100.0
99.97894	0.6
104.99298	0.7
116.98611	69.4
121.60725	0.4
134.99643	30.7
140.00165	2.8
153.00703	3.6
158.01247	2.3
176.71098	0.4
192.98668	0.7
232.96524	0.7
234.99664	0.7
240.98557	4.5
241.00450	0.4
258.99731	50.7
260.00006	1.7
277.00784	76.0
278.00970	3.3
282.01251	2.9
282.28281	0.4
295.01883	0.9
300.02432	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	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04897	0.5
56.96285	1.0
56.96560	14.5
70.09625	0.7
70.09937	0.7
71.95240	0.7
87.72608	0.5
98.97571	100.0
101.67921	0.5
116.98611	72.1
119.01918	1.0
134.99637	31.8
140.00175	0.9
153.00705	4.3
158.01305	0.9
177.00900	3.1
178.01199	1.6
201.00957	0.7
216.98885	1.3
219.02002	8.6
220.02087	4.2
221.01936	0.7
234.99915	4.6
236.98598	1.2
240.98691	4.2
253.00842	0.7
258.99741	53.9
259.99979	1.6
261.03027	0.6
277.00787	82.2
278.00974	2.2
282.01343	1.2
282.07581	0.7
282.22266	0.7
282.96786	0.9
282.99933	13.4
291.99820	0.6
295.01703	1.1
299.98999	0.5
300.02264	1.2
301.01001	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23775	0.3
55.01870	0.3
55.02993	5.8
55.05507	2.8
60.05649	2.1
63.73715	0.3
65.03918	0.6
67.05498	0.7
72.05639	2.3
72.08151	46.2
73.06559	2.3
90.09195	0.9
93.03375	0.4
95.04982	0.5
96.60308	0.3
97.07648	27.6
98.97573	0.8
105.20103	0.3
108.02099	0.9
111.04443	0.4
114.10283	35.2
115.08678	1.8
115.10681	0.3
123.04367	0.3
125.05974	0.5
132.11319	11.4
141.05452	1.1
150.05489	0.6
151.03899	100.0
151.04961	6.9
152.04253	1.7
168.06615	0.7
169.04930	0.5
223.09676	0.6
231.23790	0.3
265.11908	2.7
275.18683	0.3
277.00797	0.6
282.14462	82.0
283.14752	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	282.1447
Annotation	Pendimethalin
Peak:m/z	Relative Intensity
50.87828	0.3
52.07841	0.3
55.02995	5.6
55.05507	3.2
60.05646	2.0
65.03940	0.6
67.05493	0.9
68.05024	0.4
71.98617	0.3
72.05636	1.8
72.08150	46.1
73.06546	2.0
73.08495	0.5
77.03926	0.4
88.06565	0.2
90.09190	1.2
93.03390	0.4
95.04989	0.4
97.07645	25.4
98.06054	0.4
104.78726	0.3
106.47431	0.3
108.02085	0.9
109.16233	0.3
111.04457	0.6
114.10281	35.6
115.08697	1.8
125.05997	0.7
132.11313	10.0
141.05408	1.4
150.05455	0.7
151.03896	100.0
151.04961	6.7
152.04247	1.8
168.06534	0.5
178.11755	0.3
223.09612	1.0
265.11844	3.4
282.14453	78.2
283.14789	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39560	1.3
53.03929	1.8
56.96564	11.8
57.03431	4.5
61.02916	7.2
68.60517	1.6
69.03414	12.6
69.31050	3.0
69.31454	7.9
71.04970	1.6
73.02910	2.6
75.23085	1.7
81.03401	3.1
85.02897	77.0
85.06541	10.5
87.04467	4.4
91.03967	3.8
97.02879	15.6
98.97572	100.0
99.04439	4.3
99.20847	1.7
109.02888	5.2
116.98615	59.0
121.08430	2.2
127.03913	16.6
134.99648	20.5
137.76874	1.6
145.04936	35.3
150.07726	30.6
157.45496	1.7
157.75504	1.6
158.06590	1.9
159.06758	5.7
163.05978	8.4
176.07675	3.0
177.07814	4.2
219.01910	2.4
226.10934	4.1
229.10760	3.2
233.53131	1.7
240.96443	1.7
240.98596	3.2
243.70705	1.9
244.12102	3.3
252.12616	16.2
253.12079	1.7
258.99734	39.1
259.99847	2.8
264.12543	6.8
270.13672	12.0
277.00797	57.2
278.00854	4.2
282.07498	1.6
282.13544	23.7
283.13297	3.3
301.00940	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	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02975	1.1
55.05482	1.6
55.97261	0.4
67.05485	1.2
68.05011	0.7
69.07035	0.4
70.06571	0.8
72.05625	0.8
72.08150	9.6
79.05466	1.2
80.05013	2.3
81.03401	0.5
81.07066	1.9
82.06549	0.6
86.06041	1.1
87.04465	18.2
88.13313	0.4
90.09259	0.4
91.05459	0.9
93.07045	3.6
94.63675	0.3
95.08564	1.6
96.08099	0.5
97.07644	4.3
98.06026	1.9
98.09690	0.4
107.08598	1.9
108.08112	1.9
109.10135	0.9
110.09694	2.3
110.10347	0.5
114.09526	0.6
114.10285	7.5
121.10139	1.0
122.09680	2.3
123.10424	0.8
124.07571	0.6
124.11218	0.8
132.11327	1.9
135.11694	3.3
136.07523	0.6
136.11176	1.5
137.13194	0.5
141.05402	0.4
150.12769	3.5
151.03903	19.6
151.05011	1.3
151.13545	0.6
152.14333	14.8
166.08624	3.3
175.14670	0.3
180.10141	0.9
181.10895	0.5
184.09738	1.2
184.13326	1.0
194.11742	3.2
196.13338	2.8
208.13319	4.1
209.14047	1.4
210.14845	0.5
236.16501	0.7
238.17999	100.0
239.18318	2.7
240.19588	0.7
265.11966	0.6
282.14474	16.4
282.20621	69.7
283.14941	0.8
283.20941	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01868	1.5
55.05510	13.1
56.13329	1.0
57.03432	6.2
57.07056	3.2
59.60287	0.8
65.03951	1.4
67.05502	68.8
69.03435	7.7
69.07063	8.4
69.88798	2.0
69.89183	2.3
70.06595	7.3
71.04978	4.1
79.05489	45.2
81.03389	1.9
81.07053	50.1
81.92133	1.0
83.04958	3.1
83.08615	1.6
84.04509	2.3
84.17816	0.9
85.06557	1.8
86.06068	14.9
87.03973	1.9
87.04462	25.9
91.05476	17.1
93.07041	30.5
95.04418	1.2
95.04971	10.5
95.08601	93.7
96.08929	1.1
97.06509	1.2
98.06030	1.3
98.22776	1.1
98.97568	3.6
102.05575	1.0
103.05465	46.0
104.06387	1.8
104.07098	36.9
105.04527	1.9
105.07019	19.6
107.04945	21.7
107.08586	16.9
109.06494	5.5
109.10152	48.6
109.70266	0.8
111.08027	1.4
116.98604	1.7
117.06994	3.5
118.06534	2.6
119.07265	2.7
119.08578	26.4
121.06509	1.9
121.10121	5.7
123.08062	6.6
123.11660	2.2
124.07597	1.3
131.04935	15.2
133.10144	6.1
134.09642	35.5
135.11682	8.7
135.81421	1.0
137.09625	10.8
137.13199	1.1
144.33026	0.9
149.05995	1.5
149.13249	3.1
150.49380	1.0
151.03926	1.6
151.14812	16.5
161.13251	8.2
179.14319	12.0
184.13293	2.3
200.19995	0.9
201.22490	0.9
212.12790	2.6
214.49976	1.0
227.12825	1.2
239.49567	1.0
258.99731	1.3
264.19495	1.2
276.50607	1.0
277.00854	1.8
282.11691	2.2
282.14905	63.2
282.20609	100.0
283.09866	0.9
283.15228	3.4
283.20825	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	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30765	0.3
53.03931	0.5
55.01855	1.0
55.05508	2.9
57.03436	1.7
65.03918	0.4
67.05499	3.1
69.07047	1.1
71.01344	0.6
71.04990	0.4
72.08152	3.1
73.08493	0.8
74.71938	0.4
77.03918	1.0
79.05486	11.6
79.05949	0.6
81.03414	0.5
81.07047	3.3
83.04961	0.9
83.08607	1.0
85.02886	0.4
89.02366	1.3
91.05470	6.6
93.07036	36.5
94.07380	0.7
95.04959	3.3
95.08601	3.7
97.02884	1.2
97.07647	1.2
97.10197	0.3
98.07954	0.7
98.23499	1.0
99.04425	0.5
103.05464	1.3
105.04503	0.9
105.07023	13.3
105.07738	0.6
106.07793	0.9
107.04955	1.4
107.08589	4.6
109.06485	0.3
109.10127	0.6
111.04453	0.9
111.08095	0.5
114.10273	1.2
115.05424	0.3
115.10628	1.3
117.06995	1.2
119.08584	3.7
121.10132	100.0
122.10465	2.3
123.08057	2.9
125.06021	0.3
131.08507	0.7
132.11351	0.4
133.07562	1.6
133.10071	0.5
135.08041	0.3
135.11671	4.1
139.11256	0.4
145.10118	2.9
149.09605	4.1
151.03906	2.9
151.04950	0.6
152.04239	4.8
163.11166	4.8
167.10677	0.9
181.12244	1.4
209.11649	2.2
210.41966	0.3
225.07530	0.7
227.12737	6.2
227.14731	0.6
283.14804	6.3
283.20630	0.9
284.14767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05503	1.5
57.03423	1.1
65.03925	0.4
67.05486	0.8
68.43666	0.4
69.82986	1.5
70.06578	1.8
71.01310	0.6
72.08144	1.7
72.43015	0.4
73.08478	0.9
77.03898	0.8
79.05032	0.8
79.05482	8.8
79.19447	0.3
81.03397	0.7
81.07035	1.4
89.02390	1.7
91.05465	5.4
93.07038	29.4
94.07340	0.5
95.04951	2.6
95.08593	1.2
97.06524	0.5
97.07602	0.6
97.21505	0.4
98.07973	0.5
98.97578	1.2
100.11227	1.1
103.05456	1.9
105.04518	1.0
105.07019	14.5
106.07841	0.8
107.04934	0.6
107.08593	3.1
114.10254	0.5
115.10649	0.6
119.08582	2.9
121.10133	100.0
122.10460	2.8
123.08059	3.1
124.07548	0.5
125.64709	0.4
131.08589	0.7
132.99443	0.4
133.07603	2.0
137.65077	0.4
145.10075	0.6
149.09619	5.1
151.03900	1.4
152.04253	2.7
156.13754	0.6
163.11101	0.4
167.10681	1.3
209.11708	0.5
225.07565	0.6
233.39832	0.5
283.14688	4.2
283.20557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89704	0.3
53.03946	0.3
55.01865	0.3
55.22441	0.2
56.05035	1.2
56.96557	0.3
57.03422	0.6
65.03935	2.7
67.05502	3.0
68.99769	0.3
69.03423	3.3
69.70240	1.0
71.04956	0.4
73.02927	0.4
79.05480	0.4
81.03413	0.7
81.07051	0.7
83.04984	0.4
83.97416	0.2
84.04500	25.7
85.02897	2.5
85.04816	0.3
91.05476	16.0
92.05782	0.3
93.03387	1.8
95.04964	25.7
96.05293	0.3
97.02892	2.4
98.97575	1.1
99.04449	0.3
102.05526	1.0
109.02843	0.3
109.06517	1.5
109.10164	0.4
111.04435	2.7
113.02453	0.3
116.98596	0.5
119.04933	10.2
120.05302	0.3
121.02859	21.3
121.06425	0.3
122.03186	0.6
122.09694	0.2
123.04420	0.8
123.34888	0.3
124.82998	0.2
127.03907	0.5
130.04994	15.6
133.96037	0.2
135.04407	0.5
137.05968	100.0
138.06316	2.1
139.03896	9.9
139.04973	0.5
140.04175	0.3
141.05463	0.8
147.04369	0.7
148.04672	0.3
150.07697	0.3
154.08620	18.9
155.08940	0.4
165.05475	0.4
177.00865	0.3
219.01758	0.4
220.09677	3.8
237.12312	3.4
261.03094	0.9
265.11044	0.3
266.10217	16.5
267.10577	0.3
283.08521	1.0
283.12863	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	283.1533
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03940	1.7
53.44129	1.0
55.01861	4.5
55.05509	13.1
57.03432	12.0
57.07073	1.6
67.05167	1.3
67.05502	20.1
69.03407	1.4
69.07056	8.5
69.60517	4.5
71.04974	2.5
73.02921	1.9
77.03928	1.5
79.05486	31.5
81.03400	3.1
81.07054	21.0
83.04978	6.2
83.08609	7.8
85.02890	1.4
85.06493	1.3
86.52358	1.0
91.05467	10.5
93.00044	1.1
93.07037	40.5
95.04963	9.4
95.08598	40.0
95.09093	0.6
95.09214	1.4
96.08884	1.4
97.02869	4.3
97.06521	4.2
99.04438	5.0
104.81970	1.0
105.04517	1.2
105.07022	10.1
107.04943	13.3
107.08580	28.9
109.06498	2.6
109.10132	2.2
111.04438	1.8
111.08058	1.9
114.73952	1.2
117.07040	9.6
119.08575	12.1
121.06481	5.4
121.10140	16.4
125.05955	3.4
129.06879	1.4
130.07799	2.1
131.04901	1.1
131.08551	1.6
133.10086	3.0
135.08046	3.5
135.10635	2.3
135.11676	48.5
139.07542	2.2
143.08582	1.7
145.10112	30.8
155.08475	1.5
157.10115	2.1
163.11166	73.5
164.11496	1.5
171.11679	2.7
173.09569	2.2
180.86797	1.1
181.12233	14.8
182.10899	1.1
183.11580	1.3
185.09590	2.9
195.11661	2.0
209.11531	1.7
209.13318	1.6
227.12756	100.0
228.13112	4.2
233.11581	2.5
237.16365	1.9
283.15131	68.6
283.20453	3.7
284.15854	1.5
298.72552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1691
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
57.07059	0.8
57.13764	0.7
58.36353	0.8
62.20354	0.8
70.73984	0.8
71.44183	0.9
79.54193	0.7
81.07052	1.6
88.44888	0.8
89.06025	2.2
92.70919	0.7
93.27081	0.8
95.08645	0.8
98.94058	0.7
105.74671	0.7
113.00539	0.7
133.08588	1.5
145.21196	0.7
153.06982	3.9
157.48114	0.7
165.07007	3.4
166.07895	1.2
167.08521	2.0
177.08910	1.1
179.08571	2.5
180.09302	5.0
181.06476	5.3
190.07780	2.6
193.10181	1.8
194.07268	2.1
194.10909	1.5
195.08017	2.8
195.11655	13.3
197.06026	0.8
197.13219	0.8
198.06758	1.7
199.07516	1.2
205.10120	2.7
207.08005	4.7
207.11668	1.0
208.08815	8.2
208.12483	1.2
209.09586	1.5
211.07564	2.9
221.09657	2.8
222.10364	3.2
222.13991	1.8
223.11162	39.0
224.11546	1.7
225.06987	0.9
225.09079	13.9
235.11180	1.4
236.11760	1.4
237.12704	2.5
237.16356	5.6
239.10625	3.5
240.11427	18.7
241.12210	10.6
250.13486	2.6
253.12224	3.0
254.12965	5.8
265.15854	15.2
268.14456	3.9
283.16907	100.0
284.17242	3.3
284.33002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29018	1.9
53.03917	3.2
55.01860	6.9
55.05501	19.0
57.03180	3.4
57.03433	48.3
57.07083	4.2
66.33562	2.0
67.05503	35.0
67.64581	1.7
69.03416	6.3
69.07063	20.5
69.32674	10.5
69.82089	2.2
71.04980	11.3
71.59456	1.8
72.08142	2.5
79.05483	31.6
81.04828	2.0
81.07050	80.6
82.08477	2.2
83.04980	12.0
83.08612	18.1
83.99339	1.7
85.06539	20.4
91.05467	17.4
93.07036	92.1
95.04948	14.9
95.08596	100.0
97.06524	26.4
97.10165	6.6
98.23569	3.2
99.04428	5.2
99.08092	13.1
101.06026	2.4
105.07020	28.2
107.08584	55.2
109.06506	24.9
109.10139	52.8
111.04416	2.7
111.08064	30.6
113.05984	5.0
113.09634	80.9
117.07017	3.4
119.08553	24.4
121.06487	16.7
121.10132	39.4
123.08057	12.4
123.11684	28.1
125.06002	6.4
125.09604	14.0
127.07545	6.8
127.11179	5.3
129.09113	9.1
131.08594	10.1
133.10104	32.3
135.08054	5.5
135.11676	9.2
137.05949	2.0
137.09602	9.4
137.13268	5.5
139.07526	49.4
139.11162	7.2
143.06973	2.9
143.08549	2.1
145.10115	19.1
147.11671	35.3
149.09587	3.5
149.13234	71.0
151.11145	8.9
152.04185	2.3
157.08611	29.3
157.09995	3.6
159.06499	4.4
159.11646	11.3
161.13229	10.9
163.11169	3.7
163.14795	8.9
165.12724	2.4
167.14394	2.8
173.13307	6.5
175.11162	9.1
177.12834	3.4
177.16368	17.8
187.14774	12.9
189.12711	3.1
191.14308	11.1
195.17422	8.7
201.16367	4.8
203.17940	25.4
205.15843	23.1
209.15327	2.8
211.14847	4.0
219.13574	2.5
219.17450	3.1
221.19014	6.8
223.16899	28.4
229.15884	10.9
239.20003	11.2
241.17961	3.4
247.16882	21.6
265.17957	36.4
283.14532	2.9
283.19104	12.1
295.79001	1.9
300.86115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.19
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.29018	1.9
53.03917	3.2
55.01860	6.9
55.05501	19.0
57.03180	3.4
57.03433	48.3
57.07083	4.2
66.33562	2.0
67.05503	35.0
67.64581	1.7
69.03416	6.3
69.07063	20.5
69.32674	10.5
69.82089	2.2
71.04980	11.3
71.59456	1.8
72.08142	2.5
79.05483	31.6
81.04828	2.0
81.07050	80.6
82.08477	2.2
83.04980	12.0
83.08612	18.1
83.99339	1.7
85.06539	20.4
91.05467	17.4
93.07036	92.1
95.04948	14.9
95.08596	100.0
97.06524	26.4
97.10165	6.6
98.23569	3.2
99.04428	5.2
99.08092	13.1
101.06026	2.4
105.07020	28.2
107.08584	55.2
109.06506	24.9
109.10139	52.8
111.04416	2.7
111.08064	30.6
113.05984	5.0
113.09634	80.9
117.07017	3.4
119.08553	24.4
121.06487	16.7
121.10132	39.4
123.08057	12.4
123.11684	28.1
125.06002	6.4
125.09604	14.0
127.07545	6.8
127.11179	5.3
129.09113	9.1
131.08594	10.1
133.10104	32.3
135.08054	5.5
135.11676	9.2
137.05949	2.0
137.09602	9.4
137.13268	5.5
139.07526	49.4
139.11162	7.2
143.06973	2.9
143.08549	2.1
145.10115	19.1
147.11671	35.3
149.09587	3.5
149.13234	71.0
151.11145	8.9
152.04185	2.3
157.08611	29.3
157.09995	3.6
159.06499	4.4
159.11646	11.3
161.13229	10.9
163.11169	3.7
163.14795	8.9
165.12724	2.4
167.14394	2.8
173.13307	6.5
175.11162	9.1
177.12834	3.4
177.16368	17.8
187.14774	12.9
189.12711	3.1
191.14308	11.1
195.17422	8.7
201.16367	4.8
203.17940	25.4
205.15843	23.1
209.15327	2.8
211.14847	4.0
219.13574	2.5
219.17450	3.1
221.19014	6.8
223.16899	28.4
229.15884	10.9
239.20003	11.2
241.17961	3.4
247.16882	21.6
265.17957	36.4
283.14532	2.9
283.19104	12.1
295.79001	1.9
300.86115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
55.05506	10.0
57.07063	5.1
64.64865	3.3
67.05505	11.7
69.07075	9.7
69.16322	23.2
79.05500	13.0
81.03423	9.4
81.07082	16.5
83.08630	6.3
89.06033	7.3
91.05482	13.4
93.07041	13.0
95.04986	14.4
95.08607	17.7
98.97587	8.2
105.07055	11.3
107.04921	4.5
107.08605	16.8
109.06517	4.9
109.10203	8.3
112.07586	3.9
116.98579	3.5
117.07029	3.9
119.08589	27.1
121.06467	4.6
121.10181	11.2
123.11707	5.7
129.06996	4.5
131.08563	9.3
133.08638	4.3
133.10117	12.8
134.99683	4.7
135.11731	10.9
135.71994	3.4
141.07054	5.3
142.07841	5.0
143.08568	13.3
145.06537	8.1
145.10152	15.5
147.08076	4.1
147.11690	5.3
155.08574	7.4
156.09317	6.5
157.10133	16.6
158.10977	4.3
159.08084	4.5
159.11694	13.8
161.09596	4.6
161.13252	14.1
163.11081	4.1
165.07092	3.9
167.08542	6.0
169.10124	67.9
169.11467	4.9
171.08119	5.7
171.11679	12.8
173.13269	4.5
175.11072	4.3
175.14703	4.0
179.08580	4.3
181.10133	9.7
182.10930	7.3
183.11707	13.0
185.13260	6.5
187.11243	4.8
187.84138	4.1
189.16429	6.6
193.10223	5.7
195.11774	17.0
197.13268	16.3
199.11240	8.0
199.14853	11.2
201.16389	14.3
208.12422	3.9
209.13319	14.4
211.14758	4.8
213.12868	11.7
221.13228	4.8
223.14883	7.6
227.14365	8.2
227.18025	3.6
236.15643	4.8
237.16362	7.8
239.17961	25.4
241.15868	5.2
244.56918	3.6
250.17262	5.1
265.19492	13.8
283.20535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43970	2.3
53.03939	8.6
54.93962	2.0
55.01868	8.7
57.03452	5.4
57.44895	1.9
61.02921	8.6
68.99786	3.1
69.03426	39.1
70.74130	4.1
71.05000	4.0
73.02903	8.9
74.97736	2.2
81.03415	26.1
85.02900	100.0
87.00828	47.0
97.02888	49.1
99.04455	15.2
105.01859	52.8
108.04491	9.5
109.02869	28.8
126.05605	3.3
127.03905	91.4
129.01852	7.1
145.04953	70.4
147.02893	3.0
147.14453	2.4
159.02882	30.4
167.35844	2.2
213.03935	3.8
231.04971	22.5
248.07555	4.3
249.06041	7.7
270.05173	14.4
271.64487	2.4
284.09698	5.2
285.07547	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	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
53.76355	2.1
55.01871	10.3
57.03429	7.1
61.02918	7.9
68.00122	1.9
68.99776	2.8
69.03429	34.2
71.04977	6.5
73.02925	11.0
81.03410	33.4
81.07046	3.1
85.02901	100.0
85.03416	5.0
87.00827	45.3
97.02890	59.7
99.04448	17.0
105.01861	55.4
106.22043	2.1
108.04463	8.0
109.02869	31.9
113.39408	2.1
115.03937	3.3
117.01904	4.6
125.15321	2.0
126.05499	7.8
127.03909	88.5
129.01794	3.8
143.41368	2.3
145.04950	68.5
147.02881	4.0
159.02873	28.0
168.05682	2.6
177.03917	2.4
179.04935	4.0
213.03989	3.2
231.05002	24.0
231.07068	3.5
242.05690	2.3
248.07603	3.8
249.06052	6.6
249.18346	2.6
268.00104	2.3
270.05200	59.8
284.10089	2.9
284.21988	40.9
284.29449	5.9
285.07562	61.3
285.10709	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	284.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.73037	0.2
60.74570	0.3
61.65088	0.3
62.40022	0.3
63.00039	0.3
65.03931	1.6
67.05491	0.9
69.03423	0.5
71.42596	0.4
79.05487	0.3
82.04205	0.6
84.04491	0.4
85.02898	1.4
86.09705	0.3
93.07058	0.3
95.04937	0.6
97.02871	0.4
97.06532	0.7
98.98470	0.3
100.11232	0.4
100.63082	0.3
106.01117	0.3
110.03655	0.9
111.04468	0.5
116.98610	0.4
119.09811	0.3
121.06460	0.3
125.05984	0.5
127.03952	0.3
130.04909	0.3
137.02327	0.4
138.03133	1.4
142.02663	0.3
147.22543	0.3
151.03908	0.3
153.05443	2.7
171.06554	3.3
173.31094	0.3
179.04987	0.5
181.04942	52.6
182.05327	1.4
210.05241	0.5
225.07559	100.0
226.07921	3.0
242.05771	0.6
269.04440	0.4
270.05206	21.9
284.03146	0.5
284.14883	7.9
284.23331	0.6
284.29422	1.4
285.07556	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	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.12398	0.3
54.79196	0.2
55.05510	0.3
56.57245	0.3
56.88470	0.3
65.34301	0.3
67.01858	0.8
67.05502	0.7
68.99760	0.3
69.07046	0.7
69.99331	0.6
76.55889	0.2
79.05466	0.5
80.05579	0.3
81.03412	1.4
81.07051	0.7
91.05437	1.4
93.07025	0.7
95.04977	0.8
95.08598	0.9
95.69860	0.3
105.07043	1.5
107.04918	0.6
107.08585	0.9
109.06508	1.2
109.10127	0.7
111.08088	0.3
117.07006	0.4
119.04941	2.0
119.08581	0.9
120.05722	0.4
121.02848	0.8
121.06464	0.5
121.10142	0.4
123.08046	0.3
124.01559	2.6
131.04921	0.4
131.08531	0.7
133.06474	0.3
133.10098	0.6
135.08018	0.6
135.11691	0.3
137.09537	0.3
141.06982	0.3
143.08510	0.9
145.02855	1.1
145.06483	0.6
145.10112	1.0
147.08044	0.4
147.11702	0.9
155.08513	0.6
157.10107	1.0
159.11647	0.8
160.05214	0.3
161.09554	0.4
163.11182	0.4
167.03384	5.4
168.09361	0.3
169.06415	0.4
169.10127	0.7
171.11658	0.3
173.09569	0.5
173.13254	0.5
175.11182	0.4
181.10042	0.4
183.11668	1.0
185.04483	0.4
185.09631	0.4
185.13290	0.5
187.03874	1.0
187.11101	0.4
189.12729	0.4
196.05113	0.4
197.05972	1.6
197.09648	0.4
199.11192	1.0
201.12698	0.5
211.14798	0.5
213.05362	1.4
213.12686	0.9
214.06203	0.6
215.14241	0.4
222.65485	0.3
224.04686	0.3
225.05530	0.4
225.16270	0.4
227.14290	0.6
229.12311	0.4
242.05713	24.3
243.06161	1.2
243.17366	0.4
254.13570	0.3
257.19101	0.6
267.17407	1.3
270.05188	12.6
271.05435	0.8
285.07538	100.0
285.18390	7.4
285.21872	1.0
286.07874	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	285.0757
Annotation	Wogonin
Peak:m/z	Relative Intensity
51.84916	0.3
53.68419	0.3
57.07064	0.7
75.97421	0.3
89.69275	0.3
95.08565	0.4
103.05482	0.7
105.03384	1.4
105.07037	0.4
116.06241	0.4
121.68076	0.3
131.04964	0.7
139.00214	0.4
140.00966	0.3
141.06947	0.3
144.05701	0.9
168.00514	1.7
168.05661	2.3
171.04338	0.7
176.47595	0.4
177.65941	0.3
179.04916	3.7
182.04510	0.5
184.14635	0.3
186.01611	1.1
196.05121	0.6
199.03925	0.6
199.53299	0.3
200.04747	0.3
213.05367	0.9
217.05003	0.4
218.05783	0.8
224.04654	0.9
238.09181	0.3
240.23198	4.6
241.04919	1.9
242.05681	3.1
252.04150	0.8
255.93187	0.3
269.04428	2.7
270.05206	100.0
271.05524	3.5
284.03131	1.2
285.07547	78.0
285.29013	2.6
286.07916	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29961	0.8
69.42733	2.5
69.43140	1.7
76.93515	0.9
84.52265	0.8
98.23465	1.9
133.06256	1.9
147.87305	0.8
156.66928	0.8
168.00534	1.7
168.05705	1.1
175.03659	2.7
179.04849	2.1
241.04779	1.7
242.05769	2.1
253.01140	1.1
267.09949	11.3
269.04480	1.5
270.05212	82.7
271.05560	3.7
284.03351	1.3
284.29330	1.1
285.04263	2.2
285.07565	65.6
285.10956	100.0
286.07944	2.7
286.11288	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	285.1334
Annotation	1-(R)-Phenylethyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.54103	0.5
53.03946	3.3
55.01862	2.0
55.05504	2.1
57.03440	5.7
61.02611	0.7
61.02922	2.2
63.12743	0.7
67.05504	14.8
69.03425	8.9
69.68923	1.0
69.69279	2.4
71.04977	2.0
73.02918	2.1
77.89044	0.6
79.05491	11.9
81.03418	13.6
81.03899	0.8
81.07054	100.0
83.04976	1.2
85.02909	10.2
85.86166	0.6
87.04470	0.9
91.05477	3.3
93.07056	7.8
95.04967	1.8
95.08605	56.1
96.08957	0.9
97.02911	4.8
97.06552	1.5
97.59098	0.6
98.22753	1.2
99.04459	6.8
105.07024	9.3
107.08590	1.3
109.02875	5.5
109.06563	1.2
112.67325	0.6
117.07014	0.8
118.53721	0.6
119.08592	1.5
121.06510	2.7
123.08066	53.0
124.08482	0.7
127.03918	10.4
131.08577	0.8
133.06502	0.8
135.08081	2.2
139.07507	1.1
141.09076	3.0
143.08577	0.8
145.04953	2.3
147.08052	1.8
157.10117	0.8
161.09564	1.0
165.09123	1.6
171.07999	0.6
177.09232	0.8
179.04942	0.9
189.09190	1.6
191.05669	0.7
207.10185	0.8
249.11273	2.0
267.12360	1.7
270.05243	14.4
285.07596	12.6
285.13290	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.39066	1.0
55.01867	3.3
55.05508	20.0
55.45784	1.0
56.73542	1.2
57.03436	29.9
57.07045	1.1
65.03921	1.3
67.05501	28.0
68.05820	1.0
69.03420	4.6
69.07065	8.2
69.73151	1.0
69.77008	2.2
69.77401	2.1
71.04996	6.9
77.03928	1.2
79.05492	25.3
81.03414	68.8
81.07055	35.3
83.04967	10.4
83.08614	19.8
85.02899	48.4
85.06533	3.0
91.05473	33.6
93.07040	20.6
95.04963	28.8
95.08601	13.7
97.02881	4.0
97.06521	3.7
97.10139	2.8
98.22754	2.0
99.08092	1.3
105.07024	23.5
107.04948	4.1
107.08589	8.0
109.06517	6.3
109.10136	4.8
111.04483	2.4
111.08074	12.6
113.05986	3.6
115.05427	1.6
117.07032	2.4
119.08576	21.0
121.10152	11.6
122.10442	2.0
123.08073	3.5
123.10860	1.1
123.11678	2.8
125.09590	1.2
129.06975	10.8
131.04912	1.3
131.08557	12.0
133.06482	2.5
133.10118	8.7
135.11710	1.2
137.09630	1.6
141.06935	1.6
142.07738	2.6
147.08055	3.9
147.11664	16.7
149.09615	6.3
155.08617	1.2
157.10117	14.6
159.11685	2.0
165.12793	3.7
168.00571	1.7
168.05736	1.9
175.11153	15.4
179.04883	2.4
181.10132	1.1
186.01608	1.7
193.12227	56.1
211.13269	30.0
211.15115	2.1
229.14479	1.2
241.05009	2.2
242.05800	2.6
259.08554	1.2
267.15952	3.7
270.05209	91.0
271.05511	4.4
285.07559	100.0
285.16904	41.2
285.22083	4.3
286.07919	4.3
286.17474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96820	1.3
53.03950	4.7
55.01863	4.1
55.05507	26.3
56.76525	1.4
57.03432	35.4
65.03921	2.8
67.05160	2.4
67.05502	37.9
69.03423	6.1
69.07063	16.6
70.52567	3.3
71.04989	8.6
79.05485	38.3
79.40273	1.2
81.03413	96.0
81.07051	65.6
81.07430	1.0
82.03732	1.8
83.04977	14.9
83.08607	32.8
85.02901	48.2
85.06541	4.9
87.04485	1.9
91.05477	43.1
91.06047	2.2
93.07039	24.0
95.04965	35.6
95.08602	21.1
97.02888	4.3
97.06536	6.9
97.10104	2.1
99.08089	2.3
100.71877	1.3
105.07019	39.8
107.04942	6.5
107.08580	13.7
107.50300	1.5
109.06514	5.9
109.10140	5.7
111.04456	3.3
111.08072	13.3
113.06003	3.2
115.05429	1.9
117.07021	3.3
118.07794	1.6
119.08577	33.0
121.10142	17.8
123.08056	2.9
123.11682	12.7
125.09608	1.8
128.06174	1.8
129.07001	14.7
131.08571	15.0
133.06474	2.5
133.10121	14.6
137.06123	1.3
139.11252	1.3
141.07005	1.5
142.07776	4.1
143.08516	1.8
144.05731	1.4
145.10114	5.8
147.08043	4.7
147.11670	48.8
149.09648	7.3
149.80930	1.5
150.03484	1.3
155.08540	2.8
156.09323	1.8
157.10115	16.2
159.11700	3.8
160.96582	1.5
165.12753	18.4
170.13174	1.5
171.11673	1.6
173.13310	1.5
175.11168	19.4
179.04944	2.2
183.11717	3.1
185.13298	3.4
193.12227	62.0
193.13983	3.3
194.12648	1.5
197.13295	2.1
211.13258	40.2
211.15105	2.9
218.20181	1.4
224.04716	1.5
229.14345	5.4
239.17992	4.5
241.04903	2.0
242.05707	3.0
243.11226	2.5
257.18991	1.5
267.15710	8.9
270.05203	100.0
271.05545	6.3
285.07562	81.1
285.10748	3.1
285.16772	34.2
285.22150	3.4
286.07962	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	3.1
55.05506	10.0
56.91995	0.7
56.96571	3.7
57.03432	20.7
57.07063	1.2
58.85589	0.7
65.03943	0.8
65.55858	0.9
67.05157	1.6
67.05500	20.4
68.93271	0.7
68.99789	0.8
69.03433	1.9
69.07054	5.3
71.04989	4.1
79.05489	19.5
81.03416	37.6
81.07055	22.8
83.04978	8.7
83.08616	13.9
85.02901	34.3
85.06543	1.8
91.05476	22.9
93.07043	13.3
95.04967	16.4
95.08601	7.8
97.02882	1.8
97.06523	2.7
97.10149	1.3
100.75923	0.8
103.05466	1.6
105.03374	1.8
105.07025	17.5
107.04949	3.2
107.08569	5.6
109.06532	3.8
109.10131	5.4
111.04460	2.0
111.08065	9.5
113.06010	3.0
115.05429	0.8
117.07030	0.9
119.08570	12.2
121.10135	6.5
123.08078	2.4
123.11670	3.9
129.07005	7.2
131.08560	6.7
131.72597	0.8
133.06459	1.2
133.10133	7.6
137.09601	0.8
139.00244	0.9
141.06958	1.1
142.07799	2.2
145.10106	1.9
147.08014	1.9
147.11679	8.8
149.09595	4.0
151.11136	1.0
157.10124	8.2
165.06783	0.9
165.12753	2.5
168.00557	1.3
168.05672	1.2
170.16264	0.7
171.04477	1.0
172.85713	0.7
175.11185	10.3
179.04907	4.0
183.13857	0.8
186.01581	1.1
193.12231	31.6
197.06090	0.9
211.13258	20.8
211.15111	1.3
213.05531	0.9
224.04718	1.0
241.05006	2.3
242.05681	2.8
243.09071	3.0
252.04181	1.3
261.10150	3.9
267.15970	1.1
269.04443	2.4
270.05206	100.0
271.05612	5.6
284.03244	1.2
285.07559	90.3
285.16943	20.8
285.22040	2.4
286.07895	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	285.1848
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
53.03949	1.8
54.07338	0.7
55.01865	2.3
55.05509	6.4
57.03425	6.5
57.07068	2.8
65.03925	2.3
66.02432	0.7
67.05501	8.2
67.95446	0.7
69.03425	2.9
69.07063	5.8
69.63843	3.8
79.05491	8.0
81.03413	24.2
81.03890	1.3
81.07058	8.5
83.04967	3.2
83.08607	2.9
85.06516	1.2
91.05470	10.3
93.07040	12.0
95.04967	20.9
95.08606	9.6
97.06501	2.2
97.10163	1.1
103.05446	1.1
105.04494	1.6
105.07024	14.4
107.04957	3.5
107.08593	20.0
109.06520	16.4
109.10149	7.6
110.28774	0.8
111.08104	1.4
115.05444	1.7
117.06998	4.5
119.04964	1.2
119.08586	16.4
121.06512	12.4
121.10126	11.7
123.08058	5.2
123.11701	3.0
128.06197	1.4
129.06995	3.8
131.04933	3.3
131.08546	8.5
133.06483	4.3
133.10120	18.5
133.11139	0.9
135.08034	9.7
135.11661	5.7
137.06004	1.7
137.09625	1.7
141.06961	2.0
142.07768	3.3
143.08557	8.7
144.09380	1.6
145.06491	6.8
145.10138	9.6
147.08054	6.6
147.11667	8.1
149.09607	4.1
149.13269	2.0
151.11188	2.2
153.07011	1.4
154.07715	1.3
155.08572	5.8
156.09320	5.8
157.10118	12.7
158.10884	2.0
159.08078	5.0
159.11714	9.5
161.09604	6.6
161.13206	4.5
162.10390	1.0
163.11191	4.5
163.14848	1.6
167.03380	0.9
167.08583	2.9
168.00616	1.0
168.09322	2.8
169.06450	2.6
169.10112	11.5
170.10899	5.6
171.08029	4.5
171.11678	9.4
172.08827	1.4
173.09615	6.3
173.13254	11.4
175.11185	3.6
175.14793	1.9
177.09111	5.5
177.12767	2.9
179.04968	1.3
181.10098	3.3
182.07228	2.3
182.10880	2.0
183.08037	4.0
183.11644	10.3
184.08875	1.1
184.12357	1.1
185.09671	5.2
185.13240	16.4
187.11211	6.3
187.14850	2.6
188.11946	0.8
189.12758	3.7
191.10637	1.2
191.14305	11.1
192.14703	1.2
193.10138	2.4
195.11690	5.1
196.08789	2.4
196.12361	2.0
197.09596	9.6
197.11337	1.1
197.13257	6.9
198.10347	3.3
199.11124	8.1
199.14827	2.9
201.09198	2.2
201.12737	4.7
203.14294	6.7
207.11694	1.5
208.12495	1.0
209.13283	3.3
210.13986	1.1
211.11240	7.6
211.14784	5.8
212.11934	2.4
213.12733	17.8
213.16206	1.7
214.13318	2.2
215.10693	3.4
215.14363	3.1
215.17912	1.3
219.11723	1.2
223.11185	2.5
223.14760	2.7
224.11940	1.7
224.15593	1.2
225.12746	5.4
225.16403	3.7
226.13318	1.3
227.14290	6.7
228.14890	1.0
229.12224	3.0
229.15900	3.1
237.12746	2.1
237.16281	1.7
238.13567	1.0
239.14362	1.2
239.18028	6.4
241.15950	5.2
242.05717	5.3
243.13780	2.0
243.17480	2.1
249.16388	2.1
252.15056	1.6
257.15234	1.0
257.18991	5.3
257.22482	1.4
267.17401	28.9
267.20956	2.5
267.51599	0.8
268.17606	1.5
269.04443	1.1
270.05203	34.7
271.05539	2.4
285.04297	2.0
285.04831	1.2
285.07562	55.0
285.15237	3.8
285.18488	100.0
285.21991	12.8
286.07953	3.2
286.18860	3.6
286.22220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1849
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
52.34288	0.8
55.01860	3.0
55.05510	5.2
57.03432	9.2
57.07072	1.3
59.04966	1.0
63.69195	1.0
65.03925	1.2
67.05499	6.6
69.03432	2.0
69.07064	8.0
71.04990	2.0
77.03944	0.8
79.05491	10.5
79.91804	0.8
81.03415	15.9
81.07047	9.7
82.29987	0.8
83.04957	3.0
83.08601	0.8
85.06541	4.0
87.00807	0.9
87.39390	0.8
91.05470	7.8
93.07035	10.4
95.04970	11.1
95.08596	7.5
97.05923	0.8
97.06522	3.1
99.08101	1.1
100.82887	0.9
105.03376	0.9
105.07018	13.2
107.04950	5.7
107.08585	11.7
109.06515	24.8
109.10170	5.1
111.04395	0.9
111.08054	1.1
115.05441	1.1
117.07014	4.9
119.08570	15.6
121.06506	5.8
121.10117	5.7
123.04414	1.6
123.08042	5.6
123.11696	1.9
125.05984	3.7
125.09701	0.8
128.06203	2.7
129.07011	5.6
130.07680	0.9
131.04900	2.8
131.08553	10.1
133.06482	3.4
133.10121	11.2
135.08031	7.5
135.11694	4.6
137.09650	1.3
141.07007	3.8
142.07785	4.6
143.08557	12.2
144.09308	2.7
145.06503	8.7
145.10118	12.2
147.08054	6.1
147.11674	6.8
149.09627	3.2
149.13197	1.9
151.11176	2.5
153.06932	1.6
153.19980	0.8
154.06769	1.4
154.07893	1.3
155.08492	7.3
156.09340	5.2
157.06535	1.7
157.10095	12.4
158.07185	1.3
158.10899	1.9
159.08047	6.6
159.11679	11.6
161.09587	5.2
161.13219	2.3
163.07545	2.0
163.11180	2.4
165.06955	1.2
166.07828	0.9
167.08559	2.4
168.09322	3.4
169.06529	1.4
169.10115	10.3
170.10849	2.9
171.08046	4.5
171.11681	9.4
172.08777	1.0
173.09622	7.8
173.13269	6.9
175.11191	3.2
177.09077	0.9
177.12697	3.5
179.04979	1.2
179.08597	1.2
180.09314	1.3
181.10126	4.3
182.10884	2.2
183.08051	2.2
183.11674	16.2
184.08780	3.0
185.09624	6.9
185.13234	5.5
186.10291	2.4
187.07483	2.2
187.11157	7.8
187.14769	4.1
188.11995	1.8
189.12718	3.8
191.14299	3.0
192.09247	1.3
193.10185	1.9
195.11691	2.4
196.12453	2.3
197.09621	5.1
197.13289	8.1
198.10406	1.9
199.11177	13.7
199.14801	3.9
200.11803	1.0
201.09050	1.7
201.12711	10.8
203.10666	1.6
203.14365	3.7
207.11771	2.1
208.12338	0.9
209.13229	3.8
210.13927	2.1
211.11208	6.3
211.14789	6.3
212.11923	1.3
212.15469	1.0
213.12717	11.5
213.16333	1.3
214.13370	1.2
215.10640	3.8
215.14250	4.7
216.11473	1.0
217.12231	1.3
217.15948	0.9
221.90044	0.8
223.14799	1.5
225.12733	4.0
225.16280	7.9
227.14270	9.0
228.15022	1.8
229.12303	6.3
229.15816	5.1
237.12764	1.3
239.14310	3.3
239.17906	5.6
241.12181	2.1
241.15930	2.9
242.05652	2.4
242.12959	1.3
242.16483	1.4
243.13788	2.9
243.17479	4.3
249.16341	1.8
252.15154	1.1
255.13786	1.9
257.15250	1.7
257.18985	12.6
267.17438	17.9
270.05203	28.9
270.16125	1.4
285.04340	1.3
285.07565	28.2
285.15152	5.1
285.18466	100.0
286.07816	1.1
286.18896	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	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.02420	1.9
54.35849	1.7
55.05512	10.5
58.51793	1.7
61.27298	1.6
66.21796	1.8
67.05499	12.9
68.99767	2.1
69.03413	4.2
69.07064	32.7
69.56009	1.8
71.04972	3.6
79.05482	10.2
81.07048	22.2
83.04971	2.6
83.08600	7.0
85.06548	1.7
87.45143	1.6
91.05477	13.1
93.07043	16.9
95.04982	8.3
95.08611	22.3
97.06520	8.9
97.10172	3.9
99.08108	1.8
105.07023	33.8
107.08593	18.9
109.06509	14.7
109.10137	13.2
111.08096	2.9
111.11617	1.7
117.07018	4.8
119.08572	53.0
121.06485	6.7
121.10152	18.3
123.11712	16.7
131.08542	8.0
133.10118	28.3
135.08067	8.4
135.11681	6.8
137.09520	2.2
142.07764	2.7
143.08556	4.8
144.09326	2.1
145.10110	13.6
146.07268	3.5
147.08061	2.4
147.11685	11.9
149.09660	2.3
155.08524	3.6
156.09335	2.4
157.10088	6.3
159.11676	10.1
161.09604	47.3
161.13217	4.9
169.10069	4.9
171.11662	6.1
173.09550	2.4
173.13220	5.8
175.11192	2.4
175.14818	36.5
177.16383	6.6
179.04944	3.7
185.13202	9.0
187.14764	2.5
189.12674	2.2
189.16309	2.6
193.15869	7.5
197.13216	5.7
199.14742	3.0
201.16402	3.2
203.65973	2.0
205.15805	2.4
211.14841	8.9
215.17859	3.0
229.15880	2.2
242.05707	2.9
257.04623	1.9
267.21030	8.0
270.05215	90.8
271.05505	5.8
285.04269	6.2
285.07529	100.0
285.18460	23.1
285.22073	34.6
286.07861	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	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03943	1.0
55.05504	5.9
57.03416	1.6
57.07069	1.6
67.05502	9.4
69.07069	5.7
70.94537	1.3
79.05479	7.2
81.03400	1.6
81.06564	1.1
81.07048	17.0
83.08604	5.1
84.58344	0.6
85.06506	0.8
89.08868	0.6
91.05465	7.6
93.07033	10.2
94.72867	0.6
95.04953	2.4
95.08023	1.4
95.08601	21.9
95.09212	1.1
97.06522	1.0
97.10133	1.2
103.29066	0.7
105.07021	14.9
107.08585	14.5
109.06491	1.1
109.10146	15.7
111.08072	1.1
113.09650	4.7
117.07034	4.4
119.04899	0.7
119.08572	13.7
119.98804	0.6
120.34004	0.6
121.10125	8.1
123.08121	0.8
123.11685	4.2
128.06227	1.0
129.06989	2.6
131.08549	9.3
133.10117	12.5
135.08049	0.8
135.11670	5.3
141.06978	1.7
142.07817	1.9
143.08565	7.5
144.05676	0.8
144.09323	1.3
145.10120	17.8
147.11684	8.8
149.09592	1.0
149.13239	2.9
155.08517	4.6
156.09317	2.9
157.10114	9.8
157.53160	0.6
158.10858	1.1
159.11668	16.5
161.09618	1.4
161.13255	5.5
163.11145	2.4
163.14804	1.3
168.05695	0.8
168.09390	1.6
169.08820	0.9
169.10126	9.0
170.10815	1.5
171.11673	14.8
172.12436	1.8
173.09578	0.8
173.13237	14.1
175.11162	2.3
175.14793	2.2
177.12753	5.1
179.04942	1.0
181.10112	1.0
182.10947	3.4
183.11655	7.6
184.12314	1.0
185.13235	8.8
187.14798	11.6
189.12700	1.7
189.16318	1.0
191.14278	1.5
193.12210	1.1
196.12444	1.4
197.13239	13.6
198.13913	1.0
199.14809	5.4
200.15442	0.8
201.12727	3.6
201.16414	4.2
202.16833	0.9
203.14291	1.2
205.15932	0.9
209.13310	1.2
210.95732	0.7
211.14813	10.6
213.16377	2.3
215.14305	40.7
215.17796	11.4
216.14629	1.9
217.15984	1.6
225.16341	6.9
227.17902	1.7
229.15865	4.7
239.18011	3.9
241.19516	6.1
242.05750	2.0
243.17386	1.4
252.18608	0.9
253.08655	0.8
257.19189	0.6
257.20029	0.7
257.22528	4.8
267.21039	32.3
268.21313	1.4
269.04437	1.0
270.05212	34.7
271.05588	2.5
285.04205	0.9
285.07550	32.1
285.22101	100.0
286.07852	2.8
286.22577	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	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03944	1.9
55.01866	1.3
55.05263	1.4
55.05513	21.6
57.07081	6.7
62.06082	2.8
67.05504	13.7
69.03424	2.0
69.07067	8.4
70.40350	1.1
71.08619	2.7
71.43067	1.2
79.05494	10.1
81.07058	22.3
83.04983	1.4
83.08611	3.9
85.06527	1.9
85.26166	1.1
88.94848	0.9
91.05479	13.1
93.07040	15.4
95.04977	2.8
95.08604	22.9
97.06516	2.2
97.10168	2.0
104.94600	1.0
105.07030	29.6
107.04940	1.0
107.08585	14.9
108.05810	1.1
109.06516	3.9
109.10155	13.7
110.10501	1.0
111.08055	2.7
113.09582	1.1
115.05450	1.0
116.50099	1.0
117.07014	7.8
119.04946	1.2
119.08574	29.3
121.06519	8.4
121.10139	9.1
123.08047	3.5
123.11695	2.9
125.09691	1.4
128.06216	2.8
129.06975	5.1
130.07861	1.7
131.08559	18.7
133.10110	12.6
134.07233	2.9
135.08025	2.8
135.11708	4.0
137.09593	1.3
141.06960	2.2
142.07784	2.7
143.08557	8.9
144.05728	1.1
144.09332	2.0
145.06499	1.7
145.10120	21.0
147.08037	3.4
147.11655	9.5
149.13255	7.3
155.08534	6.5
156.09355	2.0
157.10139	14.8
159.07983	1.2
159.11688	17.0
161.09572	3.6
161.13243	5.9
163.11105	1.5
163.14766	1.8
168.00560	2.3
168.05713	2.1
168.09166	0.9
169.10136	13.4
170.10828	1.7
171.04280	1.2
171.11716	11.0
173.09607	2.4
173.13263	13.4
174.13741	1.2
175.11221	10.0
175.14821	7.1
177.16411	1.0
179.04886	4.1
181.10068	1.6
182.10858	1.7
183.11647	7.6
184.12555	1.1
185.13251	12.7
187.11194	3.2
187.14766	6.8
189.12740	1.7
189.16447	1.7
196.12480	2.8
197.13234	8.1
199.14822	7.4
201.12744	2.2
201.16380	6.1
203.14276	2.2
203.17958	3.1
211.14787	12.8
212.15210	1.5
213.16414	6.8
215.14302	3.5
215.18042	2.0
225.16325	5.9
227.18004	2.4
229.15871	79.7
230.16309	4.8
231.17464	6.4
239.17889	1.4
241.19446	2.3
242.05750	3.2
243.17374	1.9
257.18967	2.3
257.22659	3.4
267.21060	14.5
269.04462	2.5
270.05231	88.5
271.05444	5.4
285.04251	2.4
285.07559	60.9
285.18900	4.0
285.22101	100.0
286.07886	3.5
286.22513	4.1
286.31027	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
50.30329	0.6
51.08108	0.6
53.03640	0.5
53.03930	0.8
55.05512	6.4
55.22596	0.5
55.24979	0.6
57.07068	3.3
58.31173	0.6
59.05016	0.6
65.03924	0.7
67.05154	0.8
67.05497	8.0
68.21090	0.6
69.03426	1.4
69.07068	6.3
69.94530	0.7
69.94860	1.3
70.88354	0.5
71.04987	0.6
71.71580	0.6
77.03954	0.7
79.05488	6.1
81.07056	18.2
83.04973	1.2
83.08610	2.4
85.06530	7.5
87.14524	0.5
91.05486	6.3
93.07034	10.2
95.04962	1.7
95.08025	0.9
95.08602	15.8
97.06537	4.3
97.10168	1.0
98.22775	0.7
99.08098	1.7
105.07029	13.3
105.07738	1.0
107.07928	1.0
107.08595	12.5
109.06520	3.3
109.10160	11.4
111.08073	1.8
115.05476	0.7
117.07043	3.8
119.08578	25.3
121.10139	13.0
123.08070	2.0
123.11700	5.6
125.09632	1.5
128.06210	1.2
129.07005	2.1
130.07784	1.3
131.08562	8.0
133.10120	26.9
135.08043	2.0
135.11688	4.3
137.09592	1.6
137.13219	0.8
139.11163	0.9
141.07002	1.2
142.07773	3.4
143.08554	8.0
144.09306	2.1
145.10115	15.9
147.11679	10.0
149.09607	1.9
149.13228	2.0
151.11166	3.0
153.12761	1.5
155.08536	2.2
156.09355	3.8
157.10139	14.6
158.10860	1.3
159.08058	1.0
159.11691	31.3
160.12302	0.8
161.09616	1.6
161.13181	4.2
163.11180	1.5
163.14772	1.2
165.12744	5.4
168.05655	0.6
168.09320	1.3
169.10144	7.1
170.10928	4.4
171.11676	15.6
172.12317	1.1
173.09578	1.9
173.13248	11.7
174.13837	0.8
175.11241	3.2
175.14815	2.9
177.12703	1.7
179.04956	1.5
181.10127	1.5
182.10890	2.3
183.11690	8.7
184.12421	1.2
185.13255	13.9
186.14063	1.4
187.11208	1.5
187.14815	6.5
189.12773	3.6
189.16339	1.7
191.14290	3.7
193.15880	2.3
195.11678	1.7
196.12430	3.0
197.13268	8.1
198.13951	1.8
199.11177	0.7
199.14813	14.7
201.12706	4.4
201.16365	5.7
203.14314	6.2
209.13237	1.4
210.14018	0.7
211.14845	9.0
212.15550	0.9
213.16373	3.8
215.14334	5.2
215.17923	1.2
216.15129	0.8
217.15860	1.4
223.14728	0.7
224.15529	0.6
225.16426	5.6
226.17212	0.8
227.17902	6.7
229.15898	5.1
239.17870	3.3
241.05031	0.7
241.19501	26.7
242.05739	1.6
242.20264	4.2
243.17448	9.7
243.21089	4.1
255.17328	0.7
257.19049	1.6
257.22549	1.6
267.21054	12.8
268.21573	0.9
269.04312	1.0
270.05222	23.5
271.05460	1.0
285.04251	0.7
285.07544	26.6
285.22110	100.0
286.07938	2.3
286.22412	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12849	0.5
55.05511	1.4
56.05030	1.0
56.96568	1.1
57.03434	1.1
59.04996	2.1
61.02922	4.2
68.05020	1.3
70.06593	8.7
70.97569	0.8
71.04993	5.8
72.08148	1.5
78.92789	0.5
79.05504	2.5
80.05029	0.9
81.04549	1.2
81.07054	11.6
82.05329	1.5
83.06106	10.0
87.08096	0.9
88.18335	0.5
93.04523	8.4
95.06092	16.4
96.04465	0.5
101.00878	1.0
102.96849	1.0
107.06075	2.4
110.07162	100.0
111.05577	1.5
111.07557	0.8
112.07601	6.4
112.08744	3.0
115.08698	0.6
119.01915	3.9
119.04953	0.6
119.05993	0.7
120.01976	0.6
120.97877	1.0
121.01674	1.8
121.07632	1.9
124.03954	19.6
131.01903	0.6
136.99518	0.7
137.02939	1.1
139.05028	0.5
140.07050	3.6
143.01881	1.4
144.10162	1.8
148.59576	0.6
151.12262	0.6
156.07674	12.0
156.08836	1.1
158.06702	1.2
160.99623	0.6
161.02954	2.8
163.12300	48.9
164.12715	0.9
166.06104	1.9
168.00623	0.7
169.06070	0.7
170.06706	0.7
177.00951	1.4
178.01067	1.1
179.00691	11.8
180.05278	1.0
180.12595	0.8
184.20586	0.6
188.07698	0.9
190.13405	7.3
193.13393	0.9
199.15604	0.6
201.00441	0.7
203.00652	0.9
208.14445	10.3
209.12849	0.8
210.15997	0.6
212.15263	0.9
219.01978	1.1
219.03847	1.8
219.11237	1.5
220.02116	2.2
221.01787	17.0
222.01964	1.5
227.00818	1.8
236.13904	8.1
240.17070	8.4
241.15466	1.3
243.05994	1.0
245.01720	5.5
246.02072	0.6
254.14975	20.7
261.02942	0.8
262.00381	0.9
262.03143	5.5
263.02844	78.8
264.03006	4.1
268.16489	0.6
269.04486	0.6
270.05109	2.8
271.05557	25.9
281.00162	0.8
286.04684	0.8
286.07886	22.9
286.17596	61.6
287.05753	0.9
287.11041	18.8
287.17874	2.2
304.00842	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.85426	0.1
53.03954	0.1
61.53262	0.1
65.03925	0.5
67.01849	0.4
67.05499	0.2
68.99426	0.2
68.99786	2.6
69.03428	0.3
69.07071	0.2
78.37954	0.1
79.05489	1.0
81.03407	0.4
81.07037	0.5
91.05473	0.5
93.07011	0.3
95.04956	0.5
95.08595	0.4
97.02888	0.1
103.05455	0.2
105.03387	1.1
105.07019	0.7
107.04950	1.0
107.08579	0.4
109.02874	0.8
109.10125	0.2
111.00800	1.6
111.04434	0.4
115.05401	0.2
117.07010	0.3
119.04943	0.2
119.08588	0.6
121.02857	7.8
121.03790	0.3
121.10126	0.2
123.04428	0.1
123.08025	0.1
127.03921	0.3
128.06218	0.2
129.07013	0.6
131.08539	0.2
133.02820	0.9
133.10126	0.3
135.04391	0.4
137.02315	2.2
141.06972	0.5
143.08543	0.4
145.06488	0.7
145.10110	0.6
147.04366	1.4
147.11668	0.2
150.03110	0.2
151.03934	0.2
153.01816	12.1
157.06488	1.4
159.11674	0.4
161.05963	0.5
161.13208	0.2
163.03865	0.2
165.01828	4.1
168.36911	0.1
169.01321	0.1
169.06479	0.2
171.04414	0.9
173.05943	0.2
175.03821	0.1
175.07529	0.2
183.02870	2.0
185.05934	1.2
189.05392	0.3
194.02100	0.1
197.06046	0.3
199.14844	0.2
201.00221	0.3
201.16339	0.5
203.07031	0.3
213.05443	3.6
214.05840	0.2
229.04877	0.6
231.06540	1.3
241.04912	1.8
243.06415	0.2
258.05185	2.6
259.05948	0.9
269.04391	0.5
269.11490	0.1
269.22336	0.2
272.05780	0.5
287.05463	100.0
287.23611	0.5
288.05804	3.6
288.12656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.80902	0.1
53.03945	0.1
55.01870	0.1
65.03930	0.4
66.59348	0.1
67.01849	0.4
68.99426	0.3
68.99786	4.6
69.00159	0.3
69.03404	0.4
70.06005	0.1
71.04979	0.3
71.43195	0.1
79.05496	0.7
81.03388	0.5
81.07049	0.3
84.96706	0.1
85.32944	0.1
91.05471	0.5
93.07051	0.3
95.04948	0.5
97.02854	0.2
99.23586	0.1
103.05468	0.3
105.03389	1.1
105.04509	0.2
105.07040	0.1
107.04945	1.6
109.02898	0.9
111.00807	1.4
111.04443	0.5
115.05438	0.3
119.04959	0.2
119.08538	0.2
121.02864	6.5
121.03956	0.6
121.06484	0.4
123.00838	0.1
127.03888	0.2
128.06172	0.2
129.07016	0.5
131.04950	0.2
133.02850	1.0
135.04404	0.5
136.07542	0.5
137.02335	2.4
139.00224	0.6
141.06950	0.2
145.06471	0.5
147.04402	1.5
147.08073	0.1
151.00404	0.1
153.01819	10.9
154.02225	0.2
154.04201	0.1
154.71788	0.1
157.06491	1.2
161.02177	0.2
161.05959	0.4
164.07077	0.3
165.01833	3.8
166.99673	0.2
169.06540	0.2
171.03026	0.2
171.04312	0.8
175.03891	0.3
175.07440	0.1
183.02907	1.6
184.05066	0.2
185.00841	0.8
185.05971	1.0
189.05463	0.2
197.05977	0.3
199.03770	0.1
201.00311	0.6
203.03374	0.1
203.06943	0.4
212.04810	0.1
213.05453	3.5
216.04231	0.2
223.03920	0.2
229.04973	0.5
231.06509	1.4
241.04919	2.8
242.05618	0.2
243.06459	0.2
258.05228	2.3
259.06058	1.0
269.04398	1.0
272.05981	0.3
287.05475	100.0
288.05786	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.1
60.61470	0.1
65.03939	0.3
67.01856	0.3
68.99783	2.5
69.03436	0.2
69.36900	0.3
69.37303	0.4
79.05480	0.4
81.03400	0.4
91.05471	0.2
93.03377	0.2
95.04965	0.4
98.22715	0.2
103.05484	0.3
105.03379	0.9
105.04516	0.2
107.04943	1.2
109.02857	0.9
111.00801	1.4
111.04449	0.3
115.05452	0.2
115.27961	0.1
117.06998	0.1
117.91093	0.1
119.30935	0.1
121.02860	6.9
121.03928	0.6
121.06493	0.2
127.03933	0.3
129.06989	0.5
133.02846	0.9
135.04384	0.3
137.02330	2.3
139.05392	0.1
141.06995	0.3
145.06479	0.5
147.04384	1.4
153.01817	11.4
154.02318	0.1
157.06473	1.5
161.02341	0.1
161.05968	0.4
165.01834	3.7
169.06444	0.1
171.03110	0.1
171.04384	0.7
175.03882	0.2
175.07683	0.1
183.02881	1.9
184.05211	0.1
185.05966	1.2
189.05478	0.3
197.06027	0.3
199.03828	0.2
201.05521	0.2
203.03523	0.2
203.07066	0.3
203.64220	0.1
212.04607	0.1
213.05444	3.0
216.60843	0.1
225.52112	0.1
229.04895	0.4
231.06505	1.3
241.04918	1.7
243.06410	0.3
257.04449	0.2
258.05222	2.1
259.06082	0.8
263.05527	0.1
269.04385	0.4
287.05475	100.0
288.05804	3.6
305.72067	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07339	0.2
55.01857	0.2
56.87561	0.1
58.98687	0.2
61.52118	0.2
64.45634	0.1
65.03931	0.3
67.01859	0.5
67.55929	0.2
68.99789	3.4
69.03419	0.3
69.66348	0.7
77.09148	0.1
79.05486	0.8
81.03410	0.5
81.07048	0.2
91.05461	0.4
95.04974	0.5
97.02872	0.1
103.05479	0.4
105.03380	1.0
107.04961	1.5
109.02866	1.0
111.00806	1.7
111.04466	0.4
115.05478	0.2
117.07006	0.3
119.04887	0.2
121.02867	7.9
121.03823	0.4
121.06487	0.2
123.04471	0.2
127.03921	0.3
128.06252	0.2
129.06926	0.4
131.04935	0.2
133.02837	1.0
133.10107	0.2
135.04408	0.7
137.02321	2.5
139.00334	0.2
141.06973	0.3
145.06464	0.6
147.04399	1.6
153.01822	12.5
155.06102	0.2
157.06496	1.6
161.05983	0.6
165.01834	3.5
169.06456	0.3
171.04399	0.7
173.05966	0.2
183.02908	1.7
185.05920	1.3
189.05386	0.2
192.67099	0.2
197.05971	0.5
203.07072	0.3
212.04688	0.2
213.05469	3.2
216.04099	0.2
217.04962	0.3
223.03848	0.2
229.04984	0.5
231.06529	1.3
240.04303	0.2
241.04922	2.0
258.05209	2.3
259.06161	0.8
269.04404	0.6
272.05777	0.2
287.05481	100.0
288.05811	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03936	0.4
67.01830	0.3
68.99783	2.0
69.53766	0.6
71.01339	0.1
77.03928	0.1
79.05487	0.5
81.03409	0.4
86.04265	0.1
86.12948	0.1
91.05518	0.2
95.04967	0.4
103.05437	0.3
105.03409	0.9
107.04956	1.1
109.02886	0.7
111.00814	1.6
111.04435	0.6
115.05446	0.2
119.04934	0.4
121.02862	6.0
121.03934	0.6
123.00771	0.3
127.03904	0.2
129.07008	0.4
132.54265	0.1
133.02837	0.8
135.04471	0.4
137.02322	2.1
141.06900	0.4
145.06491	0.4
147.04384	1.0
153.01814	10.6
157.06502	1.3
161.02408	0.2
161.05959	0.4
165.01836	3.5
169.06483	0.2
171.04411	0.6
173.06082	0.2
175.03819	0.2
175.07446	0.2
183.02901	1.7
185.05969	1.0
189.05476	0.4
197.06012	0.2
201.05511	0.2
203.03380	0.3
203.07022	0.4
204.36913	0.1
213.05450	3.0
217.05061	0.2
229.04979	0.3
231.06490	1.1
241.04903	1.4
243.06325	0.3
258.05203	2.2
259.05899	0.7
269.04486	0.3
272.05600	0.2
287.05472	100.0
288.05795	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32914	0.1
65.03923	0.5
65.81528	0.1
67.01858	0.3
68.99782	2.2
69.03416	0.3
69.29874	0.5
69.86546	0.1
75.36618	0.1
77.03921	0.1
79.05487	0.7
80.45385	0.1
81.03416	0.4
81.07037	0.1
95.04952	0.3
97.02859	0.1
103.05436	0.1
105.03380	1.0
105.07057	0.1
107.04942	1.2
109.02858	0.8
111.00792	1.4
111.04423	0.4
115.05421	0.2
117.06988	0.2
119.04918	0.2
121.02854	6.7
121.03936	0.5
123.04526	0.1
127.03838	0.2
128.06219	0.2
129.06999	0.4
133.02824	0.9
133.06439	0.1
135.04404	0.3
136.07523	0.2
137.02319	2.3
141.06998	0.3
145.06476	0.7
147.04405	1.5
153.01813	10.9
154.02133	0.2
157.06474	1.3
161.02292	0.1
161.05966	0.3
163.03824	0.1
164.07109	0.1
165.01822	3.4
169.06502	0.1
171.04361	0.6
175.03851	0.2
175.07591	0.2
183.02872	1.5
185.05951	1.1
189.05481	0.3
189.28152	0.1
197.05997	0.3
199.03889	0.1
203.03513	0.1
203.07018	0.4
212.04504	0.1
213.05447	3.3
214.05937	0.1
216.04192	0.1
217.04872	0.1
229.04895	0.4
230.05402	0.1
231.06531	1.4
241.04926	1.6
243.06421	0.2
257.04385	0.1
258.05225	2.3
259.05994	0.9
269.04346	0.5
270.04861	0.1
286.04501	0.1
287.05463	100.0
288.05798	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	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.05026	1.2
56.96569	0.7
59.04979	0.5
60.04522	0.6
60.05632	0.8
61.02926	1.0
63.00030	0.8
66.63036	0.5
68.05028	0.5
68.39493	0.5
68.99792	2.8
69.66911	1.7
70.06586	7.1
71.04985	1.8
71.06911	0.5
72.08161	4.4
74.06084	1.0
79.05479	0.7
80.24197	0.4
81.03423	0.5
81.07044	2.1
82.05287	0.6
82.07389	1.3
83.06097	2.1
83.90923	0.5
84.06427	0.7
84.08143	0.9
86.09714	1.1
92.38697	0.5
93.04482	0.9
94.04861	0.6
95.04990	0.5
95.06091	3.5
96.06417	1.0
97.99179	0.6
98.98467	1.6
101.00866	2.5
103.05481	0.7
110.07161	14.8
111.06834	1.3
111.07493	6.8
112.07616	0.8
112.08735	2.0
113.07898	0.6
115.08690	1.9
116.98611	0.6
118.08672	0.7
119.01925	7.2
120.02016	0.8
121.01678	1.5
124.03970	1.5
125.04303	1.8
128.98575	1.1
130.93323	0.6
131.01926	0.7
134.99634	0.8
137.02971	1.0
139.00258	0.8
139.08707	0.6
141.07462	0.5
143.01901	8.8
144.10202	9.1
146.99625	0.9
156.07692	2.1
157.07961	1.4
161.02948	14.6
161.04245	1.0
162.03075	0.6
163.12325	5.1
164.12675	8.2
174.04512	0.6
175.11841	0.9
177.00894	0.7
179.00694	2.7
180.00824	2.6
183.02885	1.3
185.11621	0.9
186.01634	0.5
187.11932	2.4
190.95435	0.8
191.13675	1.3
199.11952	0.8
201.00279	3.8
203.04027	1.9
206.64355	0.6
208.96413	0.7
209.14778	1.7
215.62749	0.5
219.01996	1.5
220.04147	0.8
220.11603	0.7
221.01611	2.3
221.05144	1.4
222.01881	3.5
234.99881	0.9
237.14331	1.4
237.64290	6.0
238.14352	1.1
241.04948	2.2
241.17419	1.7
245.01680	0.7
246.01978	1.8
254.14908	0.8
255.15326	4.6
263.02887	9.0
264.03006	23.7
265.02567	3.0
269.04395	1.7
272.05750	5.3
286.17661	1.1
287.05640	2.8
287.11032	100.0
287.17801	18.8
287.67548	0.8
288.11292	2.7
288.20331	2.2
305.00687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1253
Annotation	CAY10616
Peak:m/z	Relative Intensity
69.81666	0.5
119.33140	0.4
119.79231	0.4
121.06479	0.6
121.27565	0.4
141.29903	0.4
151.08067	0.4
157.10109	0.4
203.12808	0.4
268.04791	0.4
269.11493	0.5
287.12509	100.0
288.12933	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	287.1641
Annotation	Estrololactone
Peak:m/z	Relative Intensity
53.03939	0.9
53.17441	0.8
55.01867	2.7
55.05512	5.4
57.03429	3.2
57.07070	2.3
59.04995	2.0
67.05506	6.5
67.33139	0.6
68.99786	3.2
69.03421	3.4
69.06714	1.3
69.07065	17.2
69.45747	3.6
71.04980	2.1
79.05488	5.6
81.03382	0.9
81.07047	7.4
82.60406	0.8
83.04980	6.8
83.08607	2.5
85.06535	1.7
91.05482	7.4
93.07053	5.5
94.04779	0.7
95.04955	3.6
95.08604	8.1
97.06526	24.2
98.22728	1.1
103.05474	1.6
105.07025	13.5
107.04971	2.0
107.08588	8.5
109.06474	5.6
109.10136	2.6
111.04450	2.2
111.08075	2.4
115.05449	1.4
117.07030	5.7
119.08578	13.1
121.06508	5.0
121.10159	5.1
123.08068	4.7
123.11713	1.4
125.05997	1.7
125.09628	2.6
128.06230	3.5
129.06996	6.5
131.04900	1.0
131.08534	8.9
133.06487	2.6
133.10120	8.7
135.04431	1.1
135.08028	7.3
135.11685	1.9
136.08231	0.8
137.05931	2.1
137.09578	3.8
141.06973	2.3
142.07764	5.8
143.08572	9.9
144.09267	1.3
145.06468	2.9
145.10129	9.1
147.08047	7.5
147.11737	4.6
147.12703	0.8
149.05916	0.9
149.09558	4.3
150.01894	0.9
151.07568	1.3
151.11188	1.5
153.07018	0.8
155.08528	5.3
156.09311	5.5
157.06490	1.8
157.10120	15.8
158.07283	2.2
158.10902	1.0
159.08049	10.3
159.11714	7.9
160.08798	0.9
161.05963	1.1
161.09616	9.9
161.13261	2.1
163.07523	2.4
163.11176	2.3
165.07037	2.2
165.09105	1.7
166.07854	0.9
167.08580	3.4
168.09370	1.3
169.10126	5.1
170.10889	4.2
171.08012	5.7
171.11670	13.8
172.08803	1.7
173.09608	19.2
173.13217	4.3
175.07578	3.8
175.11168	7.9
175.14798	1.1
177.09109	1.9
179.07111	0.8
179.08533	3.0
179.10692	1.1
180.09479	1.2
181.10152	4.5
182.10910	1.7
183.08040	1.5
183.11687	6.1
184.08780	1.4
184.12485	1.8
185.09596	11.5
185.13231	6.3
186.10280	1.9
187.07413	0.8
187.11139	7.3
187.14799	2.2
188.11806	1.1
189.09087	6.9
189.12740	4.4
191.10670	1.6
193.10155	2.9
194.11038	1.6
195.11674	2.7
196.12480	1.6
197.09576	4.0
197.13289	2.8
198.10345	2.4
199.11177	11.4
199.13121	1.5
199.14781	7.6
200.11920	1.1
201.00328	4.4
201.09120	3.5
201.12752	6.9
201.16451	2.0
203.10664	10.6
203.14299	2.8
205.12216	2.7
208.12453	2.5
209.09573	2.1
209.13232	3.1
211.11195	5.2
211.14838	2.5
212.11987	4.3
213.09103	3.4
213.12727	9.4
213.16338	4.6
214.13469	2.0
215.10728	3.9
215.14293	2.2
217.08604	1.1
217.12253	6.9
217.15784	1.5
221.09599	1.1
223.11124	0.9
223.14819	3.5
225.12730	2.7
226.13496	2.8
227.10635	3.4
227.14250	15.4
228.14691	1.1
229.12230	4.7
231.10284	1.5
231.13794	3.1
231.17392	1.1
236.12001	1.9
239.14365	2.9
241.04945	1.2
241.12148	1.5
241.15858	16.4
243.13776	2.6
245.11674	1.6
245.15387	13.5
251.14381	5.5
254.12964	1.8
257.15347	2.0
259.13266	0.9
259.13956	1.0
259.16922	10.4
269.15356	16.5
269.22763	1.1
270.15692	0.9
272.05743	2.5
287.05475	8.6
287.16397	100.0
287.19485	4.3
287.23410	2.5
288.16620	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	287.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.3
65.07315	0.2
66.52015	0.2
84.08135	1.1
90.39767	0.2
102.05551	0.3
115.52117	0.2
117.57918	0.2
134.43153	0.2
144.10191	100.0
145.10538	1.9
158.11784	0.9
201.71231	0.2
255.97513	0.2
287.19717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.8
69.80140	0.3
69.80505	0.3
84.08110	1.6
97.52161	0.1
98.09682	0.1
98.23381	0.2
102.05534	0.4
115.53777	0.1
144.10182	100.0
145.10515	1.4
158.11742	0.2
159.83830	0.2
182.84970	0.1
235.09738	0.2
274.97641	0.2
287.19696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
51.26787	1.4
53.03948	2.6
53.25308	1.5
55.01880	2.3
55.05511	7.1
56.05030	4.2
57.03431	15.9
57.07072	10.5
65.03954	1.7
67.05498	17.9
69.03442	2.9
69.07069	10.6
70.06590	4.8
70.17778	2.3
70.18098	2.3
71.08620	4.9
74.06068	5.5
77.03942	1.6
79.05487	16.6
81.03412	24.6
81.07053	31.7
83.04971	4.8
83.08627	2.9
85.06534	13.0
85.10195	1.6
86.49931	1.5
88.07623	22.2
91.05474	15.8
93.07043	15.6
95.04978	15.9
95.08604	27.5
97.06538	2.8
99.08102	5.2
103.05418	1.9
105.07038	17.8
106.08684	9.5
107.04945	27.6
107.08595	34.8
109.06516	100.0
109.10161	17.1
111.08081	7.8
113.06013	3.0
117.07016	5.2
117.72832	1.7
119.04890	1.6
119.08569	23.5
120.06622	2.8
121.06514	14.9
121.10126	12.5
123.08100	10.5
123.11700	32.3
125.09621	2.6
128.06245	2.6
129.07005	8.1
131.04942	1.7
131.08562	11.5
133.06499	5.3
133.10133	14.0
135.07994	8.6
135.11687	8.1
137.06000	1.8
137.09595	2.5
137.13243	9.7
141.06999	2.3
142.07771	4.8
143.08545	14.0
144.09326	3.6
145.06490	3.6
145.10121	14.9
146.78151	1.7
147.08041	9.5
147.11623	8.5
149.05940	4.0
149.09630	10.9
149.13239	3.5
150.10405	17.9
151.07549	6.7
155.08533	5.4
156.09346	4.5
157.10132	22.2
159.08072	4.8
159.11693	29.8
161.09618	10.7
161.13228	4.3
163.07568	3.1
163.11168	4.2
165.09109	1.9
165.12767	2.4
167.08588	3.0
169.10170	8.0
170.10986	3.8
171.08035	3.3
171.11685	16.6
173.09631	6.7
173.13251	11.4
175.11189	6.7
175.14819	4.7
177.09245	7.5
177.12726	26.0
177.16367	1.9
179.08514	1.8
180.09431	2.2
181.10098	3.6
182.10765	2.1
183.11690	6.5
184.12447	1.9
185.09628	3.8
185.13228	12.1
187.11174	7.1
187.14828	11.7
188.11969	2.2
189.12749	7.3
191.10635	4.5
191.14317	2.4
194.10928	2.7
195.11694	9.6
196.12428	2.7
197.13248	4.6
199.11227	9.7
199.14845	5.6
201.00334	1.8
201.12749	6.4
201.16391	3.4
203.14333	5.2
205.12172	1.6
205.15829	3.1
206.13031	3.5
209.13252	5.2
211.14796	8.4
213.12732	9.6
213.16379	6.6
215.14299	7.8
217.12312	4.7
223.14798	5.2
225.12657	1.8
225.16396	4.9
227.14282	4.3
227.17992	6.0
229.15820	4.6
231.13797	24.9
231.17383	3.1
232.14116	1.9
241.15874	7.4
241.19485	6.6
242.24805	7.0
243.17558	4.1
245.19066	2.6
251.17986	6.0
259.20593	3.4
269.15500	5.2
269.18958	41.5
270.19482	1.8
272.05463	1.7
287.08096	2.1
287.16422	67.1
287.20035	95.4
288.16803	3.1
288.20319	6.4
288.25314	32.3
288.28955	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
51.76369	0.9
55.05499	9.6
57.03429	1.5
61.82977	0.9
65.03944	1.5
67.05499	26.2
68.99778	1.4
69.07064	8.2
69.65774	4.3
77.03921	1.3
79.05487	27.8
81.03419	1.7
81.07050	26.0
83.04958	5.0
83.08607	4.7
91.05472	19.7
93.06445	2.2
93.07038	46.3
95.04952	9.6
95.08601	26.2
95.09201	1.1
97.06524	2.3
97.10176	1.7
99.04364	1.1
105.04536	1.6
105.07021	21.0
105.07715	1.3
107.04930	1.5
107.08586	83.1
109.06523	8.1
109.10157	19.4
111.04449	8.9
111.08066	6.4
113.06003	2.2
117.07012	6.5
119.05986	2.0
119.08566	12.9
121.06467	2.3
121.10139	21.5
123.04441	1.3
123.08092	1.6
123.11697	2.5
125.06010	5.0
125.09615	12.7
129.07001	2.2
131.08582	8.3
133.06441	1.3
133.10114	7.5
135.04445	2.3
135.08055	6.2
135.11679	32.8
137.05956	1.8
139.07526	24.3
143.08530	3.7
144.09344	1.4
145.06462	1.7
145.10088	7.3
147.08052	1.5
147.11703	4.2
149.05977	1.5
149.09636	1.1
149.13242	11.3
151.07581	1.1
153.09094	100.0
154.09415	2.5
157.10114	4.7
159.07967	1.5
159.11674	8.4
161.09631	2.1
161.13297	1.6
163.07639	1.7
165.09177	1.2
167.10582	1.1
169.10204	1.2
171.11662	4.8
173.09578	1.8
173.13249	1.9
175.11382	1.2
177.09114	1.5
179.10637	3.5
185.13219	2.5
187.11209	3.2
187.14787	1.9
189.09084	1.6
189.16344	1.1
191.10695	6.9
193.12274	2.4
201.00319	2.9
203.10667	1.7
205.12230	20.6
213.12813	1.5
217.12233	8.3
219.13818	2.2
231.13792	14.7
241.04959	2.4
245.15331	4.3
269.19031	4.2
269.22656	1.6
272.05862	1.7
287.05447	3.0
287.16727	2.4
287.20029	59.6
287.23251	5.1
288.20337	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	287.2368
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
50.51775	1.3
55.01875	1.4
55.05504	12.6
57.07059	4.6
66.04730	1.3
67.05489	17.0
68.30324	1.3
69.07058	20.1
69.45927	5.9
69.71876	1.2
79.05486	9.9
81.07049	33.1
83.04979	1.9
83.08620	8.5
86.43641	1.4
91.05481	11.1
93.07043	22.3
95.04939	2.5
95.08595	40.6
97.06521	2.6
97.10134	4.0
105.07015	33.3
107.08585	30.2
109.06510	3.3
109.10148	27.0
111.08084	3.2
111.11765	1.9
112.80727	1.3
117.07005	5.8
119.08571	35.8
121.10136	22.1
123.08063	2.8
123.11704	11.3
125.09603	2.4
128.06213	2.4
129.06987	4.8
131.08539	19.9
133.10115	24.5
135.07982	1.7
135.11673	11.3
137.13193	2.9
142.07787	3.8
143.08543	12.5
144.09364	2.5
145.10114	26.9
147.08075	1.9
147.11664	19.7
147.45105	1.2
149.09647	3.3
149.13258	8.3
151.11185	1.8
155.08578	1.3
156.09296	3.2
157.10118	20.4
158.10721	1.5
159.08014	2.3
159.11682	26.7
161.09631	2.2
161.13246	15.5
163.11136	2.5
163.14876	6.5
164.95584	1.3
170.10924	2.9
171.11673	14.9
172.08333	1.4
173.13269	18.3
175.11174	2.9
175.14775	8.9
177.12717	4.0
177.16356	4.4
179.14267	3.2
185.13225	12.1
187.14778	9.6
189.12694	1.8
189.16331	4.3
191.14285	2.0
199.14803	16.8
201.00230	1.5
201.12663	1.6
201.16374	4.7
203.14317	5.8
203.18007	3.8
213.16359	17.6
215.17888	4.2
217.15813	4.2
227.17941	9.6
229.19551	8.6
231.17377	2.8
241.19380	7.3
243.21071	4.2
245.18987	2.4
248.18668	1.6
257.22507	1.7
259.24194	3.6
269.04370	1.6
269.19470	2.1
269.22614	46.5
270.23016	1.7
272.05899	1.4
287.08139	2.6
287.20129	8.3
287.23633	100.0
288.23886	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	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
51.71587	2.2
55.05508	14.2
67.05494	17.6
68.99427	3.6
68.99783	51.2
69.07063	17.4
71.04980	3.9
71.19125	2.0
77.03970	2.3
79.05476	12.6
81.07048	39.4
83.08601	6.7
91.05482	15.1
93.07032	28.3
95.04950	5.7
95.08593	40.3
97.10164	3.1
99.08096	3.1
103.05463	10.8
105.03393	4.5
105.07021	30.9
107.08575	30.5
109.06516	4.0
109.10165	25.7
111.08056	3.9
117.06968	3.9
119.08572	47.8
121.06490	3.9
121.10143	22.6
123.00741	2.4
123.08028	2.7
123.11699	12.3
125.09628	2.9
128.06102	2.6
129.06995	4.4
131.04913	8.2
131.08519	14.4
133.10136	29.1
133.11125	2.9
135.08038	4.1
135.11693	10.3
137.13249	3.2
139.00253	25.5
141.06956	2.4
142.07780	2.4
143.08577	12.2
144.09277	2.9
145.10126	28.4
147.11665	22.4
149.09558	2.2
149.13232	8.2
155.04866	3.2
157.10136	17.7
158.10786	3.4
159.08142	2.5
159.11667	25.2
161.13232	20.3
163.14796	8.1
170.10832	2.2
171.11673	14.0
173.13246	18.8
175.14783	11.3
177.12712	4.6
179.14372	2.2
185.13286	13.2
187.14816	10.5
189.16412	4.8
195.11731	2.0
197.05928	4.4
197.13240	2.7
199.11192	2.3
199.14798	19.5
200.98480	4.3
201.00294	68.2
201.16371	6.5
203.14334	3.1
213.05455	2.7
213.16383	20.0
215.17908	4.2
217.15863	4.4
223.03862	3.7
225.05399	3.7
227.17859	10.1
229.19632	3.6
231.17358	6.8
241.04951	62.8
241.07323	2.1
241.19394	4.4
242.05263	3.6
243.06725	2.3
243.21060	5.2
259.08521	4.6
259.24133	3.1
269.01651	3.6
269.04419	49.2
269.22623	47.7
270.22934	3.2
272.05719	7.3
287.05484	29.7
287.08292	3.9
287.13162	3.8
287.16544	5.3
287.20145	8.7
287.23651	100.0
288.24255	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	287.2369
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
52.34011	1.2
55.05510	10.3
57.07061	3.1
59.04979	1.9
67.05496	11.0
69.07063	12.6
69.95629	2.2
70.11143	1.4
71.04987	1.5
79.05502	8.3
81.07056	24.2
83.08607	4.8
85.06528	4.3
86.43208	1.1
91.05473	5.8
93.07038	12.5
95.08597	27.0
97.06517	1.6
97.10188	3.2
98.23404	1.9
99.08087	3.6
102.46732	1.1
105.07030	13.2
106.36514	1.1
107.08599	18.9
109.06476	1.9
109.10150	18.3
111.08075	5.4
111.11697	1.4
117.07008	5.2
119.08570	41.6
121.10138	21.3
123.11685	6.8
125.09634	4.5
129.06987	2.2
131.08566	12.6
133.10127	19.8
135.11685	9.2
137.09540	1.5
137.13277	1.3
142.07736	2.7
142.37866	1.3
143.08553	8.9
144.09354	3.1
145.10123	40.0
145.35463	1.2
147.11707	10.2
149.09602	1.4
149.13246	5.4
151.11130	2.3
156.09274	1.7
157.10139	14.3
158.10947	2.7
159.11694	38.1
161.13246	13.1
163.11194	1.8
163.14799	3.3
165.12762	2.5
169.10135	1.8
170.10876	3.4
171.11662	17.1
172.12401	1.3
173.13260	38.5
174.13853	2.6
175.14827	8.4
177.12628	3.0
177.16342	2.0
179.14264	3.5
184.12445	1.8
185.13234	13.8
186.14005	1.6
187.14812	38.2
188.15555	9.2
189.16403	10.3
191.14264	2.9
197.13156	1.7
198.13979	1.5
199.14804	14.5
201.00258	1.6
201.16411	15.3
203.14333	2.9
205.15907	2.5
213.16353	13.3
213.18250	1.6
214.17059	2.1
215.17921	4.6
217.15950	6.2
227.17946	9.2
229.19507	2.1
231.17587	3.7
241.05011	2.1
241.19460	4.2
243.21106	21.5
245.18974	5.4
269.22617	21.9
287.05490	3.1
287.20450	4.6
287.23672	100.0
288.23965	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	SCHEMBL13039025
Peak:m/z	Relative Intensity
53.23059	1.4
55.05504	8.0
57.47055	1.4
64.27819	1.3
67.05501	15.5
68.99786	4.8
69.07066	11.3
71.44205	1.6
73.53402	1.3
79.05486	9.0
81.07053	32.6
83.08604	5.8
91.05479	5.9
93.07047	10.6
95.08029	2.5
95.08603	38.5
97.10155	3.2
99.08076	2.1
105.07024	20.4
107.08593	16.8
109.06506	1.4
109.10156	41.9
111.08124	1.8
117.06984	4.5
119.08582	25.4
119.46522	1.4
121.10165	13.9
123.07974	1.6
123.11707	14.3
125.09581	1.9
129.07004	5.4
131.04927	2.0
131.08571	12.2
133.10114	17.7
135.11678	11.4
137.13257	1.9
139.11226	1.4
142.07793	1.9
143.08583	7.5
145.10132	16.0
147.11685	20.9
149.13257	9.5
156.09352	1.7
157.10114	11.0
159.11693	22.7
161.13252	20.6
163.11069	1.5
163.14789	4.9
165.12762	3.8
166.22467	1.4
171.11653	14.5
172.12457	2.1
173.13260	15.2
175.14854	9.8
177.12756	3.2
177.16408	1.7
179.14310	11.8
184.12447	1.8
185.13261	12.6
187.14830	9.0
189.16417	3.4
191.14357	4.6
193.15843	3.2
199.14812	16.6
200.15479	2.0
201.00296	7.8
201.16394	7.8
203.14290	2.1
203.17941	2.1
205.15845	2.1
213.16377	16.8
215.17929	2.0
217.15753	3.3
227.17931	10.9
229.19589	4.4
231.17445	5.0
241.04840	1.5
241.19427	3.5
243.21039	1.6
257.22729	1.7
259.20590	1.7
259.24222	2.3
269.22647	42.3
272.05722	4.3
287.05496	5.3
287.08145	4.5
287.12604	3.3
287.20499	4.2
287.23672	100.0
288.23962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Gibberosin L
Peak:m/z	Relative Intensity
55.05492	5.5
57.07069	13.0
58.07405	3.2
62.06076	3.4
67.05505	3.9
69.03402	1.8
69.07066	6.6
70.06577	4.7
71.08619	7.7
71.42019	2.6
79.05486	3.5
81.07056	12.2
83.08604	4.0
85.06524	2.5
88.07619	5.9
91.05460	4.1
93.07032	5.6
95.08596	11.0
99.08088	4.4
105.07006	10.0
106.08624	4.9
107.08598	7.7
109.10136	6.7
109.87743	1.6
111.08065	2.8
118.63378	1.7
119.08569	33.7
121.10141	7.3
123.11674	4.0
125.09599	8.8
129.52788	1.8
131.08549	7.2
133.10132	13.0
135.11716	4.8
142.07806	1.8
143.08557	6.2
145.10136	13.7
147.11667	5.0
152.64957	1.7
156.09335	2.3
156.17465	3.4
157.10130	8.2
157.17812	1.6
159.11682	16.8
161.13246	5.4
163.14842	2.6
170.10927	2.4
171.11667	10.4
172.12421	2.3
173.13278	14.8
174.18538	6.2
175.14864	3.0
175.18814	8.7
182.44447	1.9
185.09718	1.7
185.13240	13.5
187.14810	13.7
189.16386	12.9
199.14893	11.2
201.00269	4.3
201.16359	5.3
203.14381	1.7
213.16380	5.1
215.17979	2.1
217.15880	3.3
227.17946	7.4
241.19540	2.0
243.21089	13.7
245.18933	11.5
260.14011	1.9
269.22614	8.0
272.05716	2.6
286.31104	8.7
287.05447	4.2
287.08298	4.0
287.20062	16.1
287.23672	36.0
287.31357	100.0
288.28934	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
54.99606	0.9
55.05513	9.4
57.07066	3.0
58.53975	1.0
67.05504	10.2
69.06716	1.3
69.07067	14.3
69.73769	3.8
69.74126	1.4
70.02161	1.0
77.03957	1.0
78.36895	1.0
79.05483	8.0
81.06573	1.3
81.07054	21.8
83.04977	1.4
83.08621	6.1
85.06533	1.0
91.05490	6.9
93.07042	16.0
95.04962	3.5
95.08605	28.9
96.08902	1.1
97.06540	2.1
97.10143	3.3
98.12011	0.8
99.08086	2.3
105.07024	16.8
107.08598	21.3
109.06499	2.4
109.10157	17.1
111.08051	1.6
117.07030	4.8
119.08577	18.9
121.06513	1.6
121.10149	14.8
123.08081	2.3
123.11705	7.5
125.09602	2.4
129.06987	2.5
131.08553	9.4
133.10130	17.1
135.08026	3.5
135.11702	8.1
137.09590	3.9
137.13254	2.3
141.06921	1.4
143.08546	4.6
145.10139	13.3
147.11690	8.9
148.75212	1.0
149.09616	3.3
149.13261	12.2
151.11205	1.6
157.10158	6.5
159.11679	16.1
161.13272	9.9
163.11188	2.5
163.14842	7.9
171.11678	6.7
173.13248	12.1
175.11263	1.4
175.14861	12.1
176.58157	1.0
177.12764	2.6
177.16354	2.6
178.48463	1.2
179.14186	1.1
185.13260	8.9
187.14833	7.0
189.16362	5.2
191.14203	5.2
191.17949	1.1
199.14822	7.4
201.00314	2.4
201.16377	3.9
203.14262	1.8
203.17868	2.2
205.15912	2.3
213.16389	9.3
215.17912	3.3
217.15881	5.4
227.17924	4.5
229.19519	5.2
231.17412	3.8
231.21143	1.5
241.19536	2.9
243.21005	3.5
245.19060	2.2
259.24136	5.5
261.55170	1.1
269.22653	31.1
270.22989	1.4
287.20340	4.6
287.23669	100.0
287.31180	4.1
288.23993	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03949	1.5
54.58928	0.9
55.05264	0.9
55.05508	12.3
57.07079	7.2
62.06072	2.0
67.05502	13.0
68.99798	1.3
69.03418	1.7
69.06715	1.1
69.07069	18.3
69.48221	1.8
69.48606	1.6
71.08617	1.8
79.05487	11.0
81.07056	30.3
83.08604	5.0
85.06541	7.2
86.76225	0.8
88.04867	1.2
91.05476	9.1
93.06466	1.1
93.07047	14.4
95.04962	1.9
95.08607	35.0
97.06509	5.2
97.10181	3.6
98.04878	0.9
99.08086	5.1
105.07027	18.5
106.07321	1.2
107.08584	19.4
109.06508	1.5
109.10160	21.6
111.08081	3.4
111.09120	0.9
113.09586	1.1
115.05444	1.1
117.06984	5.3
119.08581	49.2
121.06554	0.9
121.10146	23.3
123.08054	1.4
123.11698	9.1
125.09609	5.5
128.06219	1.3
129.07018	4.8
130.07784	2.2
131.08559	15.2
133.10121	26.6
135.11682	13.4
137.13283	2.6
138.63950	1.0
142.07756	1.4
143.08548	10.5
144.09335	6.2
145.10118	52.3
146.10466	1.4
147.11679	12.9
149.09563	1.1
149.13248	7.9
151.11191	2.0
155.08548	1.1
156.09317	4.3
157.10124	20.6
158.10918	6.2
159.11691	65.7
160.12157	1.9
161.13264	15.5
163.14833	2.3
165.12781	2.4
169.10060	1.8
170.10907	3.8
171.11685	16.6
172.12413	4.2
173.13255	45.3
174.13812	3.1
175.14804	8.6
177.12758	1.1
177.16447	1.2
177.48657	0.9
179.14291	3.7
183.11758	0.9
184.12421	1.3
185.13260	19.0
186.13974	1.8
187.14812	42.8
188.15569	9.2
189.16360	12.3
191.14252	2.4
193.15909	2.2
199.14807	21.6
200.15483	1.3
201.00262	1.7
201.14513	1.0
201.16386	18.5
203.14378	1.8
211.14926	1.0
213.16386	16.2
214.17072	2.7
215.17938	3.8
217.15866	6.2
227.17941	9.3
230.24854	1.9
231.17415	4.1
231.25188	4.4
241.19518	7.2
243.18620	1.4
243.21078	23.3
245.19031	3.4
259.20648	1.0
269.22668	24.0
270.22824	1.7
286.31039	1.7
287.05573	1.3
287.20377	5.1
287.23672	100.0
287.31277	22.8
288.24057	4.5
288.28915	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	287.2369
Annotation	SCHEMBL13039025
Peak:m/z	Relative Intensity
55.05509	11.8
57.07053	3.6
59.44474	1.5
65.53672	1.6
67.05208	1.9
67.05505	20.3
68.62333	1.4
68.99786	8.3
69.07061	14.2
69.22883	8.1
69.67200	1.5
69.79707	1.5
70.18799	2.0
71.04973	2.5
74.56603	1.4
79.05467	9.6
79.83175	1.5
81.07051	40.1
83.08617	6.8
91.05461	8.1
93.07037	14.8
95.08594	40.2
97.10155	3.5
99.08105	3.4
101.10735	1.6
103.05443	2.7
105.07025	22.7
107.08584	21.2
109.10150	38.5
111.08091	2.0
117.07005	5.6
119.08566	26.2
121.10131	11.1
123.11720	11.9
129.06956	2.1
131.04900	2.3
131.08528	13.2
133.10112	22.1
135.08025	2.8
135.11684	7.8
137.05948	5.2
143.08557	8.6
145.10097	16.8
147.11673	20.5
149.09663	1.8
149.13248	8.6
151.11145	1.9
156.09325	2.7
157.10088	8.4
159.11682	19.0
161.13232	18.9
163.11177	1.8
163.14813	3.4
164.08319	6.2
165.12775	7.8
167.03851	1.5
171.11682	11.6
173.13228	12.4
175.14758	9.7
177.06764	2.4
177.12729	3.0
179.14319	11.1
185.13232	12.5
187.14769	11.3
189.16379	4.9
191.14304	3.7
193.15878	3.3
199.11157	1.9
199.14804	15.0
201.00279	19.3
201.16403	9.0
203.10672	5.1
203.14322	2.3
203.17943	2.4
205.15845	2.6
213.16373	14.3
215.18011	2.0
217.15866	5.8
227.17842	8.9
229.19487	5.1
231.17442	5.8
241.04840	3.1
241.19466	3.3
257.22592	3.7
259.24283	2.5
269.04422	2.2
269.19742	2.5
269.22638	43.2
270.22797	2.0
272.05911	3.0
287.05432	6.9
287.08173	4.6
287.16968	3.3
287.20041	100.0
287.23645	98.1
287.26978	3.1
287.31183	4.4
288.20395	5.6
288.23962	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	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	1.0
60.05653	3.3
70.06593	9.3
70.64153	1.1
70.99844	1.9
71.06940	0.8
72.08144	0.9
73.06548	1.8
77.00877	0.9
82.99807	3.7
84.08134	2.0
86.09705	5.5
90.09187	2.2
95.01355	0.6
97.01395	1.5
98.97601	0.9
101.00876	39.8
105.00422	0.8
109.07629	1.1
110.46655	0.7
112.08682	1.2
113.00867	3.8
115.02422	13.6
115.08678	0.7
116.07073	2.0
116.98643	0.8
117.04025	1.0
119.01918	70.7
120.02010	2.3
124.47098	0.7
124.70913	0.6
126.98797	1.5
127.08667	4.1
129.03947	3.0
130.08688	0.6
130.09764	1.2
131.01904	13.4
132.01968	0.7
132.11320	18.6
133.03468	24.8
133.04466	1.4
134.03520	0.9
135.05003	1.0
137.02942	10.1
143.01884	12.8
144.10196	3.2
144.99805	3.6
145.03458	5.2
146.12892	1.7
147.01350	2.0
147.05043	3.8
149.02968	2.4
151.04507	3.7
155.01945	1.6
156.99916	0.8
157.03442	2.5
158.11758	100.0
159.01385	1.4
159.12102	2.0
161.02954	36.9
162.03111	1.7
163.04512	2.1
168.99780	5.9
171.01349	7.8
173.02994	7.2
175.00902	2.9
175.04568	1.3
175.11922	4.8
177.02426	0.8
179.00626	0.8
179.03996	1.9
180.99817	0.8
185.02966	2.5
187.00864	17.7
187.04478	8.0
189.02435	9.3
191.04060	4.7
193.01926	1.1
196.99359	3.9
199.00868	10.5
199.04546	4.2
201.00775	0.7
201.02470	2.4
201.06104	0.8
203.00499	1.1
203.03990	0.8
205.01903	7.3
205.05547	1.3
206.01949	0.7
207.03558	1.8
211.04518	1.0
215.00356	17.6
217.01924	18.5
217.05305	0.9
219.03621	4.8
221.01733	1.0
221.05020	1.4
229.01993	6.3
229.05576	2.5
231.03506	1.4
233.01378	3.3
235.03136	1.3
245.01431	1.1
247.03014	13.6
251.02664	0.7
259.03015	1.4
263.02432	0.9
265.04065	3.3
277.03928	2.3
280.58771	0.7
288.20264	7.2
289.04059	4.7
289.07669	8.6
289.20630	1.7
307.05029	5.1
307.08725	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	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
55.05506	10.5
60.47932	2.6
67.05502	14.7
68.99789	49.4
69.03405	6.3
69.07059	16.0
71.04989	14.1
79.05492	21.0
81.07053	52.7
83.04976	22.5
83.08595	4.7
84.04499	3.9
85.02849	3.0
85.06568	7.5
85.85290	2.7
91.05466	20.9
93.07038	64.9
93.15807	2.8
95.04972	19.0
95.06111	3.3
95.08593	49.6
95.09151	5.0
95.39886	3.6
97.02908	5.9
97.06527	37.3
99.04460	24.6
99.08074	3.5
101.63380	2.9
103.05437	5.5
105.04512	3.3
105.07017	53.0
107.04966	4.9
107.08572	30.0
109.06510	35.2
109.10165	5.7
111.04459	3.3
111.08067	26.4
113.06031	8.8
115.57193	2.9
119.08573	23.3
121.06493	95.1
121.07327	5.9
121.10149	9.4
123.04433	3.1
123.08091	9.1
123.11694	12.0
125.05970	22.6
126.05563	3.3
127.07577	12.8
128.06168	3.8
129.07024	4.8
131.04906	18.2
131.08597	9.7
133.10127	21.4
135.04422	5.2
135.08066	16.1
137.05995	5.2
137.09651	3.9
139.00253	12.9
139.07556	24.6
142.07739	3.5
143.07025	8.1
143.08566	7.4
145.02837	3.8
145.06503	5.5
145.10161	8.1
147.08028	5.0
147.11674	53.9
149.09622	4.1
149.13216	6.0
149.80521	2.8
151.11174	7.9
153.01840	14.2
157.01288	14.6
157.08665	10.1
157.10152	19.3
159.06537	19.0
161.13252	10.4
163.03934	7.9
165.12735	24.0
166.99733	7.7
169.12195	19.3
171.11684	17.8
175.11162	30.6
181.10075	5.1
185.00809	58.1
189.12730	25.9
193.12230	38.8
197.05997	3.2
199.11191	29.0
207.13771	23.1
211.13277	34.5
217.12221	100.0
225.05406	7.3
229.04973	5.3
229.14307	13.1
235.13263	99.3
243.06532	12.6
253.14319	39.5
263.95624	3.9
271.05991	11.4
289.07117	8.7
289.15414	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34587	4.7
55.05497	8.5
60.45652	5.4
67.05490	19.1
68.99777	11.1
69.07061	17.5
69.11233	30.7
70.92822	5.1
71.04984	9.5
79.05478	31.7
81.03405	5.7
81.07040	51.5
83.04964	16.0
83.08613	8.6
91.05476	22.9
93.07043	71.0
95.04957	23.3
95.08602	52.6
97.06523	35.8
98.23512	11.8
99.04453	30.6
105.07001	53.4
105.75920	5.2
107.04990	6.0
107.08586	32.3
109.06506	47.3
109.10171	13.3
111.08088	27.7
113.06030	7.9
119.08586	26.4
121.06493	90.1
121.10146	6.1
123.04384	8.7
123.08018	5.5
123.11680	8.6
125.05982	15.6
127.07531	9.5
129.07005	7.5
131.08571	11.1
133.06529	8.4
133.10124	23.9
135.08015	12.1
139.07524	27.5
142.07793	7.7
143.07039	5.5
143.08566	9.5
145.06439	5.9
145.10117	14.5
147.11681	67.2
151.07481	9.4
151.11174	9.0
157.08629	12.5
157.10080	18.1
159.06487	11.5
161.13165	11.8
165.12782	17.9
169.12201	18.4
171.11693	15.7
173.09660	6.1
175.11185	31.7
181.10120	6.2
185.00899	5.5
189.12747	22.5
193.12193	33.1
199.11215	27.1
207.13748	19.2
211.13211	39.3
211.25980	5.4
217.12213	100.0
235.13281	69.6
253.14279	39.7
289.06061	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52497	0.6
55.05511	3.0
55.37497	0.6
56.53061	0.7
57.03430	0.9
57.07073	20.4
59.04992	2.0
65.03933	0.6
67.05503	31.1
69.03429	1.4
69.07066	1.4
69.26258	3.1
79.05487	1.4
81.03398	1.6
81.07051	5.7
83.04951	0.6
83.08620	1.9
85.02918	1.1
88.07609	1.3
91.05484	1.6
93.07037	1.0
95.08602	0.8
97.02258	1.4
97.02888	26.7
98.23575	0.9
99.04453	2.1
99.08099	0.6
105.07008	2.5
106.08570	0.6
107.08552	1.6
109.02899	0.9
109.10152	100.0
110.10513	1.3
117.06977	0.8
119.08599	0.8
127.03880	3.7
127.11195	18.0
133.10155	0.9
145.04955	1.7
145.10187	1.0
149.13271	0.7
150.05385	0.6
159.08002	0.7
223.13280	6.8
243.17346	0.8
288.28970	1.5
289.18176	4.2
289.21277	1.2
289.24982	1.3
289.29309	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
54.33862	1.1
55.01872	6.3
55.05510	13.1
57.03434	16.3
57.07058	2.4
59.04999	1.6
59.98463	1.2
65.03917	2.0
67.05497	16.8
69.03410	3.1
69.07063	7.7
69.84663	3.5
71.04990	21.5
77.03930	1.4
79.05482	14.6
81.03419	12.3
81.07051	12.4
83.04961	3.7
83.08600	4.8
85.06542	1.6
91.05474	18.9
93.07017	9.7
95.04968	15.5
95.08617	8.3
97.06532	12.3
97.10156	4.1
98.47656	1.1
99.04430	5.0
103.05427	1.5
105.07014	18.2
107.04964	9.7
107.08581	11.2
109.06496	7.6
109.10162	9.7
111.08076	2.1
113.05951	1.3
115.05440	1.8
117.07024	10.1
119.04942	6.7
119.08570	27.1
121.02779	1.8
121.06517	9.1
121.10155	7.0
121.10856	1.2
123.04405	1.2
123.08039	4.1
125.09673	2.3
128.06216	2.9
129.07007	6.6
131.04906	2.1
131.08556	11.4
132.08998	1.3
133.06497	3.5
133.10110	13.5
135.08051	57.6
135.11681	3.4
137.09592	3.9
141.06969	2.8
142.07753	5.1
143.08540	8.4
144.05661	1.6
145.06468	5.6
145.10112	14.9
146.07167	1.5
147.08038	12.4
147.11687	6.7
149.09618	6.3
149.13239	1.8
151.07492	1.7
151.11147	2.6
155.08519	5.2
156.09349	4.6
157.06516	2.1
157.10103	14.0
158.07278	1.4
158.10883	1.5
159.06740	2.4
159.08046	41.2
159.11665	14.6
160.08818	2.3
161.09598	15.6
161.13263	7.2
163.07533	5.1
163.11206	6.9
165.09067	2.5
168.09311	1.8
169.10130	8.3
170.10902	8.6
171.08009	2.2
171.11694	12.9
172.08762	5.8
173.09608	16.6
173.13231	10.0
174.10425	7.8
175.07549	9.7
175.11163	18.5
175.14748	1.5
177.09085	4.8
177.12769	3.9
179.10707	1.6
181.10147	2.8
182.10977	1.8
183.08052	2.7
183.11732	6.3
185.09601	8.4
185.13222	21.8
186.10387	5.2
187.11174	30.0
187.14781	4.0
188.11877	7.7
189.09100	5.2
189.12727	42.7
190.13062	1.5
191.10664	3.6
191.14380	2.4
193.12259	3.5
195.11700	2.1
196.12456	2.7
197.09615	2.9
197.13242	4.4
198.10400	7.9
199.11131	6.3
201.08986	1.5
201.12744	12.4
201.16292	2.7
203.10626	4.2
203.14311	21.0
205.12228	19.9
207.10132	12.0
207.11758	1.9
209.13226	2.4
210.14081	1.5
211.11156	3.3
211.14818	3.9
212.11844	1.6
213.12744	35.0
214.13434	2.1
215.14281	15.5
217.12234	2.8
219.13753	14.6
221.11613	1.5
225.12662	1.9
225.16277	6.8
227.14326	6.0
229.12369	6.6
229.15831	13.7
231.13779	46.1
232.14178	1.6
233.15240	6.4
235.14865	1.6
238.13557	2.0
243.13707	2.1
243.17435	13.4
245.15364	100.0
246.15759	5.4
247.16928	2.5
251.54266	1.4
253.15874	13.0
261.18414	3.6
271.12991	2.0
271.13608	2.4
271.16925	35.0
271.24203	2.2
289.14325	11.0
289.17938	97.2
289.21051	4.1
289.25110	4.7
290.18185	4.2
290.26794	2.0
300.27350	1.3
302.19171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	100.0
58.07415	1.9
70.57956	2.0
72.04134	1.7
72.04511	22.9
78.88654	1.0
91.05455	1.3
100.07612	51.0
101.07944	1.1
102.71581	1.0
105.07032	1.6
116.05293	1.7
119.08527	2.0
144.49445	0.9
156.13828	70.0
172.11595	1.8
187.14644	0.8
253.82362	1.0
292.50772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
50.52269	2.1
53.97705	1.9
55.01874	16.8
55.05502	18.0
57.07055	2.5
59.36440	1.8
61.23531	1.7
67.05500	19.2
68.99782	6.0
69.07068	13.4
69.99776	5.9
79.05497	18.3
81.07053	49.2
83.04967	3.4
83.08600	9.4
91.05476	17.9
93.07040	30.0
95.04963	3.6
95.08609	44.2
96.07500	1.6
97.06532	5.3
97.10162	4.4
99.08094	2.2
105.04498	1.9
105.06358	3.6
105.07027	57.5
107.04854	2.5
107.08582	27.1
109.06519	7.1
109.10141	19.2
111.08052	11.1
117.06993	5.8
119.08575	41.8
121.06493	13.9
121.10154	11.9
123.08085	2.5
123.11694	7.6
125.09624	3.8
128.06198	3.4
129.06999	6.5
131.08554	29.7
133.10123	28.6
134.07263	5.2
135.08054	6.3
135.11705	10.4
139.18478	2.2
141.06952	2.2
142.07722	3.1
143.08527	13.7
144.09285	5.5
145.10118	35.5
147.08052	4.3
147.11676	54.7
149.09575	5.8
149.13248	14.7
151.11189	2.1
153.90962	2.0
155.08546	10.8
156.09326	5.8
157.10124	20.5
158.10796	3.6
159.08046	6.8
159.11694	45.2
161.09636	13.4
161.13246	33.8
163.11153	9.3
163.14784	5.8
169.10098	11.1
171.11691	23.0
172.12408	2.3
173.09589	2.3
173.13263	31.1
175.11195	8.8
175.14799	12.5
177.12766	11.8
182.10849	5.6
183.11719	9.8
185.00899	3.8
185.13210	14.7
186.13927	2.0
187.14774	12.4
189.12729	17.1
189.16353	2.4
191.14294	3.8
197.13214	20.8
198.13995	2.7
199.14774	11.0
201.12735	5.2
201.16399	5.4
203.14409	2.8
203.18140	2.2
207.13791	3.0
208.14546	2.8
209.13202	3.3
211.14810	8.0
213.16348	25.3
215.14294	13.4
215.17924	6.8
217.15886	5.3
217.19489	2.5
225.16331	5.4
227.17947	7.8
229.15865	3.0
229.19490	5.3
231.17485	2.7
233.15327	2.1
240.18806	3.8
241.19499	12.5
243.21069	20.6
253.19496	30.1
259.20569	21.5
271.17590	4.6
271.20547	81.5
272.20816	2.5
289.18201	5.6
289.21585	100.0
290.21909	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	289.2161
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
52.79267	1.9
55.01859	17.7
55.05501	15.9
57.03422	1.8
57.07067	3.6
57.17665	1.8
59.12957	1.8
67.05502	17.4
69.03411	2.4
69.07064	10.2
69.62890	2.1
70.01054	6.2
79.05491	16.8
81.07043	44.1
83.04946	3.0
83.08604	9.0
91.05460	20.9
93.07033	30.7
95.04970	4.3
95.08596	41.1
97.06499	4.9
97.10136	4.7
98.22784	2.3
99.08089	3.6
105.07024	48.4
107.08571	28.2
108.47243	2.1
109.06499	7.6
109.10136	21.1
111.08035	11.5
117.07006	7.2
119.08567	40.7
121.06484	11.8
121.10121	14.5
123.08069	3.2
123.11667	6.6
125.09653	3.2
128.06186	2.7
129.07001	4.0
131.08542	24.4
133.06531	2.0
133.10120	29.0
134.07256	6.3
135.08041	4.4
135.11682	11.4
141.07056	3.2
142.07788	3.0
143.08528	14.1
144.09377	4.9
145.10109	32.9
147.08046	5.1
147.11670	51.6
149.09630	4.3
149.13228	13.6
155.08562	11.3
156.09413	1.9
157.10136	24.0
158.10928	3.1
159.08092	5.5
159.11684	48.5
161.09625	20.2
161.13240	37.0
163.11162	8.0
163.14792	5.9
167.08458	2.4
167.61929	2.1
169.10097	8.2
171.11684	22.9
173.13254	34.9
175.11188	8.6
175.14847	9.3
177.12724	12.1
179.10567	2.4
182.10936	4.0
182.12631	2.2
183.11598	11.4
185.13235	14.6
187.11105	2.9
187.14804	19.3
189.12755	13.4
189.16412	3.5
191.14175	3.0
197.13245	18.2
199.14757	10.9
201.12677	4.6
201.16374	5.5
203.14314	4.5
208.14561	5.3
210.98975	2.3
211.14772	9.4
212.15402	2.0
213.16341	24.1
215.14401	10.7
215.17950	9.7
217.15817	6.7
217.19548	2.5
219.13756	2.9
225.16380	5.7
227.17909	8.2
229.19534	4.5
241.19498	16.0
243.21089	21.5
245.18903	2.3
246.68509	1.9
253.19490	31.5
259.20569	16.5
271.20544	77.5
272.21024	3.6
289.18436	3.3
289.21591	100.0
290.21967	4.5
293.20032	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03943	2.7
55.01871	2.6
55.05505	44.6
57.03431	2.2
57.07071	8.4
57.16503	1.7
59.04994	2.2
64.39826	1.6
65.03931	2.0
67.05502	36.8
67.05869	2.1
69.03413	4.2
69.07063	40.7
69.25701	4.3
69.26112	3.3
71.04987	3.8
71.08622	2.3
77.03967	1.5
79.05481	31.7
81.07051	61.6
81.89903	1.3
83.05006	2.9
83.08614	18.7
85.06538	5.7
91.05475	38.1
93.07035	47.0
95.04962	6.0
95.08602	73.3
96.08936	3.2
96.87323	1.4
97.06532	5.0
97.10158	11.2
99.08073	2.5
103.05457	2.1
103.53326	1.3
105.04523	1.8
105.07024	73.2
106.07346	1.5
107.04955	2.7
107.08590	66.0
109.06492	8.0
109.10151	45.0
111.08089	5.8
111.11727	4.1
113.09631	1.6
115.05445	2.7
117.06993	12.9
119.08572	74.7
120.08888	2.3
121.06489	21.3
121.10134	38.9
122.10474	2.2
123.08108	4.1
123.11702	21.8
125.09612	5.1
129.07034	3.3
130.95290	1.3
131.08562	26.7
133.10120	48.0
134.10526	1.6
135.08044	12.9
135.11687	20.9
137.09624	2.4
137.13245	7.4
139.11111	1.8
143.08572	7.3
144.09319	1.9
145.10115	41.5
147.08018	3.4
147.11665	35.0
149.09624	3.4
149.13248	28.8
151.11182	3.3
151.14801	3.0
155.08519	2.2
157.10143	5.2
159.11673	27.0
161.09642	2.9
161.13246	28.4
163.11180	11.1
163.14804	36.2
165.12727	7.7
169.10118	1.9
171.10316	1.3
171.11696	6.0
173.09654	1.3
173.13240	18.3
175.11247	2.7
175.14824	35.2
177.12737	12.9
177.16333	10.9
179.14272	7.7
183.11629	1.8
185.13150	1.6
187.14812	23.8
189.12840	3.0
189.16379	16.6
191.14317	5.9
191.17909	4.7
193.15901	16.3
197.13274	3.5
199.14719	2.6
201.12654	2.5
201.16388	18.7
203.17966	4.7
205.15865	26.8
206.16167	1.7
207.17450	2.1
213.16284	2.6
215.14211	1.4
215.17972	11.9
217.19685	1.8
219.17412	7.4
224.59810	1.6
229.19533	7.2
231.21089	4.6
233.15370	2.8
233.19008	4.5
239.17924	2.6
243.21132	4.4
245.22591	3.3
253.19533	3.2
257.19073	4.5
259.24252	2.5
261.22058	16.2
261.26025	1.8
271.20734	4.2
271.24161	38.2
289.15097	2.2
289.18292	3.9
289.21625	98.4
289.25259	100.0
290.22028	4.5
290.25702	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05506	17.1
57.07074	9.4
67.05499	24.8
69.03415	7.9
69.06710	2.5
69.07064	27.0
71.08622	2.4
79.05502	13.8
81.07050	86.1
81.18449	1.7
83.08616	10.8
85.06540	3.7
91.05492	9.6
93.07035	24.3
95.04926	2.7
95.08601	80.5
97.06536	3.3
97.10154	6.3
99.08067	2.7
99.94453	2.0
104.10725	2.1
105.07027	22.2
107.08578	30.9
109.06508	9.9
109.10150	52.8
111.08054	1.9
111.11681	3.2
119.08572	21.2
121.10139	25.0
123.08054	6.7
123.11709	30.1
125.09637	4.4
131.08504	4.2
133.10117	23.1
135.08026	4.3
135.11662	13.5
137.09529	1.9
137.13243	23.5
138.52925	3.6
145.10115	9.8
147.11696	13.6
149.13243	13.4
151.10033	3.2
151.11174	35.7
151.14806	4.5
153.12718	2.9
159.11703	12.6
161.13240	12.4
162.09036	1.8
163.14813	14.4
165.12738	5.7
173.13248	6.9
175.14818	12.0
177.16367	5.4
179.14369	1.7
187.14763	9.7
189.16400	8.7
191.17973	8.5
193.15872	6.2
201.16389	8.3
203.17923	5.5
205.15895	3.4
207.17468	3.6
215.17926	5.8
217.19630	2.2
229.19507	2.8
231.21162	2.1
233.18863	2.1
245.22714	5.0
246.61981	1.9
271.24182	29.1
289.18195	3.6
289.25229	100.0
290.25995	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2111
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03945	0.2
55.01867	1.6
55.05510	1.1
57.03423	0.3
57.07066	0.6
59.04978	0.5
67.05457	0.2
69.07063	3.2
69.65108	0.8
69.65448	0.3
70.06576	0.9
73.02547	0.3
73.02913	3.4
73.06552	1.8
81.07034	0.5
83.61002	0.2
85.10127	0.2
88.07636	1.0
90.01188	0.2
91.05477	0.6
93.07030	0.3
95.08634	0.2
97.06512	0.2
102.09174	0.3
105.06956	0.5
109.06484	0.3
113.06040	0.2
114.07217	0.6
114.09153	0.4
117.05778	0.3
117.06982	0.3
118.06531	12.4
119.07324	0.3
119.08580	0.2
121.10153	0.2
125.09587	0.2
131.08528	0.2
132.08072	4.0
132.10199	0.9
133.08868	2.2
133.09932	0.4
134.09619	1.1
145.10165	0.3
146.09627	3.8
146.10704	0.4
147.10352	0.4
148.40651	0.2
150.11217	0.6
160.11174	0.5
162.09128	0.5
176.14330	48.1
177.14687	1.5
202.15863	0.7
216.13821	0.2
232.13280	0.8
246.14857	1.4
246.24182	0.5
247.15805	0.3
248.05043	0.2
254.22786	0.8
260.16473	0.9
273.18445	0.4
286.60800	0.2
290.21112	100.0
290.26688	3.4
291.21652	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	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
50.07104	0.2
50.60923	0.2
51.19735	0.2
55.05511	1.9
55.05733	0.4
57.03426	0.6
57.07066	1.6
57.23689	0.2
59.04993	0.5
60.79268	0.3
67.05519	1.3
69.06711	0.5
69.07064	5.6
70.06301	0.2
70.06598	3.1
70.66212	0.4
71.04982	0.3
71.08607	0.6
72.08164	0.2
73.06555	2.6
75.46970	0.3
79.05502	1.7
81.03422	0.5
81.07057	1.5
83.04966	0.5
83.08629	0.3
84.04488	0.8
84.08090	0.3
88.07626	2.9
91.05472	1.0
93.07037	1.4
95.04935	0.5
95.08595	0.8
97.06507	0.6
98.22806	0.3
102.09200	0.4
105.07021	0.9
106.06583	0.5
106.08666	0.5
107.08592	0.9
109.06535	0.4
109.10146	0.6
111.08097	0.2
114.09140	1.2
117.07019	0.7
117.23360	0.3
118.06534	17.7
118.08662	0.4
119.07290	0.8
119.08559	1.2
121.06444	0.3
121.10152	0.5
125.09647	0.3
129.07010	0.6
129.13835	0.3
131.08530	1.0
132.08075	6.1
132.10191	4.6
133.08865	3.2
133.09950	0.6
134.09636	1.2
135.08020	0.6
135.11690	0.5
139.37268	0.3
142.89371	0.3
145.10092	0.8
146.09628	5.7
147.10405	0.7
149.09592	0.6
149.13208	0.7
150.11247	3.3
151.11282	0.3
157.10144	0.5
159.11707	0.4
160.11154	0.5
161.09543	0.3
161.11986	0.4
162.09145	0.9
163.14737	0.3
174.12703	0.3
176.14331	77.3
177.14691	1.6
177.16000	0.3
178.51274	0.3
216.13907	0.3
244.64101	0.3
245.22536	0.5
246.14923	0.5
246.24290	0.7
273.18491	1.4
290.21118	100.0
290.26410	15.9
291.02164	0.3
291.21890	3.4
291.26993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25343	11.6
70.04239	20.1
72.08134	14.3
75.52644	10.1
98.98415	12.9
104.44514	9.8
105.53690	11.4
119.01936	40.5
130.06519	33.6
131.01947	11.7
132.11346	16.5
144.10211	13.3
161.03014	26.3
173.03015	16.0
183.83336	10.2
195.70599	10.7
219.02008	18.4
221.01762	12.4
225.55003	10.5
291.08246	100.0
292.15027	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	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03154	10.4
53.08905	10.8
56.96560	28.4
69.33392	21.0
69.33778	28.5
70.06596	29.0
74.06062	8.7
84.08139	16.6
84.96032	10.8
86.09708	16.3
98.22660	18.8
98.97590	45.2
101.00890	17.9
101.19397	9.1
104.20597	9.5
107.21685	11.7
112.09547	10.3
115.70090	9.6
116.98642	24.1
119.01927	35.0
121.01700	12.5
130.08650	30.8
131.01869	13.0
137.02930	9.3
149.22011	11.3
150.96851	10.7
161.02905	19.5
167.02446	9.2
171.01282	11.8
177.00890	19.2
182.89810	11.2
189.02493	31.0
192.37386	10.0
210.46410	9.8
216.40869	12.1
219.01936	45.2
231.03458	14.6
236.99620	17.7
248.05540	10.8
249.04506	13.3
291.08279	100.0
309.08414	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	291.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95195	0.9
58.25594	0.9
63.92864	1.0
68.98227	0.9
71.42838	1.1
73.72752	0.9
75.54200	1.0
82.80727	1.0
82.99864	3.7
84.04503	1.3
97.02886	2.0
101.00237	2.3
101.00877	37.8
102.00924	1.5
104.56332	1.1
113.00866	9.5
115.02428	1.5
119.01917	54.8
120.02062	1.9
127.02404	2.0
131.01906	34.5
133.03473	2.5
136.52898	0.9
137.02960	7.1
142.27795	1.0
143.01901	37.3
145.03462	7.1
149.02980	5.0
155.01889	14.9
157.03458	7.7
159.01370	1.1
161.02953	100.0
162.03090	4.2
163.04480	1.5
167.01979	2.4
171.04956	1.2
173.02954	31.9
174.03061	1.1
175.03230	1.0
175.04555	4.3
179.04021	2.7
185.02965	18.2
185.06561	1.8
187.04526	3.5
189.06094	5.7
191.04012	10.1
197.02930	3.5
201.06076	6.2
203.04005	17.3
203.07535	1.3
204.04285	1.4
213.06113	2.5
219.07120	8.4
221.05003	1.5
228.06509	1.2
231.07133	2.3
245.05026	5.2
263.06042	1.6
291.09235	61.7
292.09537	4.3
292.14996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01873	2.1
55.05259	0.7
55.05511	7.9
55.05776	0.6
56.45534	0.4
57.03436	0.5
59.04960	0.4
62.00259	0.4
67.05494	5.0
69.03426	1.7
69.07060	3.9
71.04990	0.7
79.05490	7.5
81.03411	0.7
81.07056	8.4
83.04975	1.3
83.08607	3.3
85.06531	0.7
91.05473	6.7
93.07039	6.7
95.04968	2.6
95.08598	2.9
97.06510	0.8
97.10168	3.7
101.09639	0.4
105.04486	0.6
105.07020	6.9
107.04953	3.0
107.08581	3.4
109.06525	1.1
109.10144	1.6
115.05428	0.4
116.06225	0.5
117.07010	2.5
119.04937	1.2
119.08592	5.0
121.06487	2.2
121.10134	2.1
123.08044	1.2
125.09661	1.8
129.07005	1.6
130.07751	0.6
131.08563	2.8
133.06523	3.2
133.10143	1.9
134.07278	1.1
135.08043	1.6
135.11647	1.0
137.09578	0.6
143.08542	1.1
145.09090	0.4
145.10143	2.1
147.08026	3.3
147.11690	1.1
149.09584	1.1
149.13246	0.5
157.10092	0.8
159.11673	1.2
161.09595	1.3
161.13156	0.4
162.10349	1.6
163.11153	0.5
165.09023	0.5
171.11723	0.5
175.11140	1.2
175.14815	0.5
223.13332	1.2
249.14876	2.7
273.18436	2.9
291.19528	100.0
292.19913	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	6.7
53.55584	1.9
55.01876	16.7
55.05510	61.9
55.05779	3.4
57.03424	5.7
57.07060	3.2
59.04989	2.7
61.71146	1.9
63.03520	1.9
67.05498	45.5
67.05860	2.3
69.03428	8.8
69.07066	14.9
71.04984	4.9
79.05489	63.9
81.03397	4.0
81.07056	70.0
81.20580	2.3
83.04974	15.4
83.08618	19.9
85.06540	3.4
89.82734	1.9
91.05478	75.1
91.65191	2.1
93.07047	33.8
95.04967	23.6
95.08606	23.2
97.10177	25.3
103.05452	2.7
105.03385	7.2
105.04507	4.0
105.07031	34.0
107.04952	22.5
107.08598	27.9
109.06509	7.9
109.10168	13.2
111.08092	8.9
115.05486	3.4
117.07024	33.0
119.04948	4.5
119.06115	2.2
119.08579	77.8
121.06519	13.6
121.10137	13.8
123.08059	5.6
125.09626	23.0
128.06203	4.5
129.07022	10.7
130.07776	2.8
131.08569	35.4
132.05670	3.4
133.06491	7.2
133.10130	10.4
135.08051	23.0
135.11676	6.8
137.09592	3.5
141.06960	2.5
143.08575	19.6
145.10112	31.8
147.08046	54.8
147.11671	7.4
149.09631	9.4
149.13220	2.9
151.07561	8.4
151.11131	2.9
153.09129	3.3
155.08586	2.8
156.09395	2.6
157.10143	15.0
159.08070	6.5
159.11690	12.1
161.09666	12.2
163.11188	5.5
167.08510	3.3
169.10136	3.7
171.11703	8.6
173.09592	3.7
175.11195	5.8
185.09671	3.2
185.13237	7.0
187.11288	2.3
187.86633	2.3
189.11198	12.2
189.12717	3.6
195.11679	2.8
197.13234	3.9
199.14816	5.1
207.13832	4.5
213.12732	3.8
217.15968	3.7
227.18010	4.7
237.16399	2.9
245.18979	6.5
247.16872	4.5
249.14841	9.5
255.17397	12.7
273.18488	100.0
274.18799	3.9
288.07181	1.8
291.02829	2.4
291.19531	80.2
291.22369	2.8
291.26758	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	4.8
55.01869	23.3
55.05509	20.1
57.03431	13.5
57.07069	3.3
60.16008	1.4
64.18153	1.6
65.03933	5.8
67.05504	60.5
67.43110	1.5
69.03422	4.6
69.07066	10.0
69.11189	10.5
71.04986	4.4
77.03922	2.1
79.05491	52.3
81.03418	4.4
81.07056	43.3
83.04989	7.4
83.08607	5.3
85.06528	5.2
88.07615	3.7
91.05475	45.3
93.07043	34.9
95.04966	100.0
95.08593	16.4
96.05304	2.3
97.06521	5.7
97.10161	2.5
98.23495	3.3
103.05450	2.6
105.04509	1.6
105.07031	28.3
106.04157	2.5
107.04958	23.2
107.08591	29.4
109.06518	62.2
109.10178	5.2
111.08057	4.8
115.05439	4.8
117.07008	14.2
119.04915	2.6
119.06083	2.2
119.08586	14.7
121.06507	10.0
121.10133	6.6
123.08027	4.5
123.11716	2.1
128.06177	2.7
129.07019	7.5
130.07722	1.8
131.08554	22.2
133.06471	5.3
133.10104	6.6
135.08051	82.8
135.11673	7.7
137.06010	2.6
137.09598	2.3
143.08539	9.7
145.10149	14.2
147.08044	10.8
147.11673	3.2
149.09624	10.6
149.13235	2.4
157.10107	7.4
159.11681	5.9
161.09616	8.3
161.13187	1.6
163.11154	4.8
169.10118	1.8
171.11659	5.5
173.13272	3.3
175.11165	3.9
177.12691	3.7
180.10254	1.7
185.13258	3.3
187.11159	2.5
199.14854	3.0
201.12631	2.1
217.15892	16.7
227.17833	1.7
231.13863	1.7
243.25043	3.7
245.19099	2.1
249.14885	2.1
255.17424	3.2
273.18472	30.9
291.19556	41.8
291.27228	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01849	2.2
55.05508	11.0
57.03430	2.0
57.07066	3.6
59.04982	2.9
67.05505	8.4
69.03413	2.1
69.07054	1.3
69.70386	3.0
71.04977	4.3
79.05479	12.0
81.07040	10.1
81.26960	1.3
83.04970	2.8
83.08617	8.9
85.06514	2.1
85.59523	1.3
90.64057	1.2
91.05473	6.8
93.07037	13.9
95.04957	8.5
95.08607	16.0
97.06532	5.0
105.04570	1.3
105.07024	11.8
107.04948	13.5
107.08593	9.2
109.06502	9.6
109.10119	3.6
111.08077	44.8
113.09629	1.9
117.06971	3.2
119.08566	9.4
121.06486	3.8
121.10136	6.4
122.07245	2.6
123.08057	38.0
125.09633	3.9
129.07008	2.7
131.08572	7.2
133.06494	5.4
133.10120	9.4
135.08054	10.6
135.11674	2.3
137.09581	1.8
141.05460	1.7
143.08502	1.7
145.10115	6.6
147.08054	3.9
147.11681	6.5
149.09621	9.1
149.45850	1.2
151.07533	100.0
152.07910	2.1
155.10683	2.4
156.09317	1.8
157.10103	3.9
159.08121	1.9
159.11688	1.3
161.09584	3.5
161.13240	2.1
163.11197	4.4
164.01337	1.2
167.10596	1.7
169.12225	1.4
171.11681	3.3
173.09677	1.5
173.13257	7.1
174.10391	2.3
175.11201	3.8
177.08984	2.7
179.10661	5.7
181.12189	1.3
183.29375	1.2
187.14796	1.7
189.12715	23.3
191.14322	12.3
192.11412	4.9
197.11710	15.0
197.13254	2.7
207.13792	66.5
208.14145	1.4
215.14342	2.7
217.12248	3.8
217.15804	1.9
233.15337	38.3
234.15720	2.3
235.13284	2.7
249.18396	1.4
255.17412	2.9
269.10611	3.0
273.18448	9.1
287.11609	3.3
291.19516	66.2
292.19809	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	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
52.38219	0.7
53.03940	2.5
55.01868	13.4
55.05254	1.3
55.05507	15.7
56.96555	1.0
57.03435	22.1
57.07065	1.6
57.84786	0.7
58.52840	0.7
65.03931	1.7
66.86440	0.7
67.05501	26.0
69.03420	2.7
69.07057	7.2
70.05851	2.6
71.04979	2.4
72.36069	0.7
77.03927	0.8
79.05485	35.9
81.03400	1.6
81.07051	26.2
83.04969	3.3
83.08611	6.7
85.06543	6.2
91.05473	31.8
93.07040	24.6
95.04959	15.6
95.08590	12.6
97.06535	4.3
97.10165	2.8
99.04414	0.8
99.08073	0.8
103.05470	2.1
105.04517	2.0
105.07024	21.0
107.04942	9.3
107.08585	19.6
109.06509	100.0
109.10117	5.1
109.54831	0.7
110.06881	1.3
111.08080	2.7
113.06009	1.3
115.05428	3.8
116.06225	1.8
117.07005	16.2
119.04942	1.3
119.06026	1.1
119.08569	14.4
121.06476	4.3
121.10149	7.3
123.08062	6.1
125.09634	2.0
128.06227	2.3
129.06987	9.9
130.07788	1.6
131.08560	22.8
133.06480	4.5
133.10120	6.4
135.08043	52.0
135.11673	5.0
136.08363	1.4
137.09608	1.6
141.06993	1.6
142.07800	1.8
143.08549	10.4
145.06503	0.9
145.10106	15.3
147.08032	7.5
147.11676	2.8
148.08730	0.9
149.09613	12.9
149.13278	1.0
151.07509	2.8
155.08530	1.6
157.10114	10.3
159.08078	3.4
159.11676	7.0
161.09612	14.0
161.13223	1.6
163.11182	4.1
165.09128	1.0
169.10141	1.3
171.11668	6.3
173.09576	1.2
173.13254	3.0
175.11153	4.3
177.12749	1.5
181.10152	1.9
183.11702	2.7
185.13229	2.0
189.11215	1.0
189.12671	1.6
189.16292	1.3
195.11618	1.7
197.13225	1.6
199.11157	2.6
199.14832	4.8
201.12723	3.0
207.13846	2.3
209.13251	0.9
213.12717	1.6
217.15851	23.6
218.16156	0.9
219.13847	1.5
227.17909	2.2
229.23698	0.8
235.16917	1.3
237.16360	1.8
245.18935	2.9
249.14783	1.2
255.17438	7.1
259.39267	0.9
269.10654	1.0
273.18469	34.0
274.18777	1.5
291.19516	60.8
291.27072	2.9
292.19891	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	291.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18686	4.5
55.01869	5.6
55.05494	13.1
57.03423	9.5
61.22850	4.6
65.29282	4.7
67.05497	19.7
69.07065	8.9
69.14001	24.7
70.66569	4.6
71.04986	12.7
71.84593	5.0
79.05473	26.3
81.03433	4.0
81.06637	5.2
81.07062	62.7
83.04968	20.2
85.06534	7.4
91.05479	38.8
93.07043	54.5
95.04970	12.3
95.08604	25.3
98.98440	4.8
101.06028	4.9
105.07027	89.4
107.08575	33.1
109.06508	21.1
109.10179	5.2
117.07016	31.7
119.08544	31.3
121.10152	14.6
123.08070	11.3
128.06247	20.0
129.06995	21.0
130.07782	11.8
131.08556	44.1
132.74425	4.5
133.10092	21.8
135.08022	11.8
141.07011	7.9
142.06818	4.3
142.07724	23.1
143.08542	55.8
144.09317	15.6
145.10117	100.0
147.07983	5.1
147.11703	9.9
149.09621	7.2
155.08487	13.3
156.09354	18.4
157.10123	75.9
159.11674	87.9
161.13173	10.3
163.03900	9.3
167.08597	9.4
169.10123	20.5
171.11679	43.3
171.88652	4.3
173.13263	9.2
177.05394	9.4
181.10179	10.7
181.26820	5.1
182.10844	11.9
183.11592	4.7
185.13213	15.5
186.91101	4.8
189.12744	8.3
197.13261	19.9
199.14810	15.8
211.14783	7.6
215.14339	12.3
217.15869	7.7
273.18536	14.5
280.46188	5.4
291.16275	6.5
291.19574	20.1
292.15219	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.75124	0.3
53.03935	0.6
55.01874	2.0
55.05509	9.2
57.03414	0.6
59.04996	0.7
62.72653	0.3
65.03941	0.6
67.05504	5.7
69.03409	1.6
69.07058	4.9
69.08167	2.8
71.04977	1.3
78.25214	0.4
79.05494	8.8
80.89203	0.3
81.03418	1.1
81.07059	8.9
83.04977	1.1
83.08614	4.3
85.06563	0.4
90.02095	0.3
91.05476	7.9
92.05740	0.4
93.07045	6.9
95.04964	3.9
95.08594	3.8
97.06509	2.0
97.10147	2.8
98.22706	0.7
99.08099	0.4
102.25056	0.3
103.05453	0.5
104.09915	0.4
105.07027	6.7
107.04935	4.1
107.08591	4.0
109.06545	1.7
109.10152	1.8
114.93159	0.3
115.05475	0.6
115.07561	1.5
116.06218	0.5
117.07008	3.2
119.04934	1.5
119.08574	6.6
120.05714	0.6
121.06507	1.7
121.10155	2.8
123.08046	1.0
123.11692	0.9
125.09637	1.9
128.06226	0.4
129.06998	1.7
130.07809	0.5
131.08563	3.5
132.05701	0.4
133.06496	3.8
133.10143	2.6
134.07240	0.9
135.08046	1.1
135.11667	1.0
137.09607	0.6
137.28189	0.3
139.11166	1.8
141.06956	0.4
142.07790	0.4
143.08563	1.5
145.06459	0.5
145.10117	3.6
147.08038	4.0
147.11717	1.8
149.09596	1.8
157.10098	1.1
159.11703	0.5
161.09615	1.4
162.10370	1.5
163.11209	0.8
165.09131	0.5
165.12714	2.8
169.86440	0.4
171.11670	0.9
173.09598	0.4
175.11162	0.8
175.14735	0.6
177.16388	1.3
191.14279	0.7
193.15907	1.0
223.13290	1.3
249.14854	2.5
255.17422	0.5
273.18475	4.0
291.19534	100.0
292.19855	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	4.6
53.69872	1.4
55.01871	5.2
55.05507	24.9
57.03438	3.1
57.07083	7.2
57.12458	1.2
59.04993	1.3
65.03938	3.7
67.05498	48.9
69.07063	14.5
69.07409	2.1
69.42914	1.9
69.43317	5.8
71.04976	2.5
71.08629	2.6
79.05489	54.6
81.03419	9.7
81.07050	53.1
83.04986	4.8
83.08614	12.7
85.10216	1.4
87.83653	1.3
88.11327	1.8
91.05466	29.8
93.06450	3.2
93.07037	64.8
95.04967	15.3
95.08598	33.3
97.06528	3.8
97.10152	6.1
99.08092	2.4
105.04513	3.3
105.07021	19.9
107.04987	3.9
107.08585	31.9
107.09259	2.3
109.06496	4.0
109.10161	16.1
109.85831	1.5
111.08096	3.1
117.07024	4.8
119.08576	17.6
121.06510	2.1
121.10129	28.0
123.08103	4.4
123.11699	7.5
123.93272	1.2
125.09630	3.2
129.07005	2.9
129.91196	1.5
131.08597	6.7
133.10126	12.1
134.07375	1.5
135.08064	1.9
135.11681	17.2
137.09587	2.1
137.13245	2.6
139.86598	1.6
143.08553	2.5
145.10118	5.2
147.08043	1.7
147.11688	12.1
149.09601	2.7
149.13242	19.8
157.10109	3.8
159.11786	2.8
161.13263	9.7
163.11165	2.0
163.14778	9.3
165.12727	8.0
167.10677	1.6
171.11679	3.6
175.11287	2.2
175.14851	5.8
177.12747	2.3
177.16377	2.2
179.14314	4.0
185.13260	3.6
187.14828	2.1
189.12740	2.1
189.16380	2.3
195.13943	1.5
199.14775	2.7
203.14290	1.8
207.13780	2.8
213.16382	1.7
221.15341	3.3
227.17830	1.7
231.21016	3.2
235.16965	3.4
245.22707	2.4
249.18372	1.6
255.21107	2.5
259.20499	2.0
273.19360	1.4
273.22052	8.7
291.10080	2.0
291.19589	19.2
291.23172	100.0
292.23468	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03955	2.9
55.01864	5.8
55.05507	33.1
57.03423	7.6
57.07072	6.0
58.52344	1.7
59.26124	1.7
63.51599	1.8
65.03934	2.0
67.05499	29.9
67.61727	1.6
69.03423	3.8
69.07076	21.1
69.78243	2.0
70.05558	4.0
70.05911	2.7
70.06610	4.4
79.05486	24.1
81.03413	5.2
81.07050	80.9
83.04964	5.9
83.08611	10.3
85.06558	1.8
86.34749	1.8
88.07636	5.4
89.07928	1.9
91.05469	20.1
93.07039	39.2
95.04980	10.3
95.08601	53.0
95.09215	2.8
97.06520	4.0
97.10165	39.5
97.10748	3.3
99.08067	1.9
102.09209	4.4
103.05442	2.3
103.09476	1.8
104.58360	1.9
105.07032	24.3
107.04947	8.6
107.08591	40.8
109.06500	23.2
109.10145	27.8
111.08097	3.6
117.07025	9.1
119.08556	17.6
121.06508	5.3
121.10133	38.8
123.08057	6.2
123.11685	37.4
125.06018	2.1
129.06978	2.3
131.08572	11.2
133.06493	3.4
133.10112	11.2
135.08073	14.4
135.11687	38.4
136.11954	3.0
137.13266	8.3
139.11185	7.4
143.08551	3.5
145.10091	9.1
147.08064	5.0
147.11649	12.0
148.04744	1.8
149.09641	11.2
149.13242	76.4
151.07532	4.9
157.10120	3.6
159.11668	4.9
161.09578	2.8
161.13242	9.8
163.11211	3.9
163.14807	26.3
167.10666	5.4
171.11646	2.5
173.13289	4.3
175.11183	2.1
175.14828	15.4
176.71350	1.8
177.12793	10.4
181.12277	6.5
185.13309	2.8
189.12811	3.7
189.16376	7.4
195.13824	12.7
199.14815	4.1
207.13745	3.5
217.15733	3.0
229.23546	10.7
245.18935	3.2
245.22639	100.0
246.22963	4.4
255.21022	5.1
273.18509	19.4
273.22076	12.0
291.02817	2.0
291.06558	2.3
291.19531	52.9
291.23160	79.3
291.27164	33.3
291.30157	2.9
292.23486	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	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01864	5.8
55.05507	33.1
57.03423	7.6
57.07072	6.0
58.52344	1.7
59.26124	1.7
63.51599	1.8
65.03934	2.0
67.05499	29.9
67.61727	1.6
69.03423	3.8
69.07076	21.1
69.78243	2.0
70.05558	4.0
70.05911	2.7
70.06610	4.4
79.05486	24.1
81.03413	5.2
81.07050	80.9
83.04964	5.9
83.08611	10.3
85.06558	1.8
86.34749	1.8
88.07636	5.4
89.07928	1.9
91.05469	20.1
93.07039	39.2
95.04980	10.3
95.08601	53.0
95.09215	2.8
97.06520	4.0
97.10165	39.5
97.10748	3.3
99.08067	1.9
102.09209	4.4
103.05442	2.3
103.09476	1.8
104.58360	1.9
105.07032	24.3
107.04947	8.6
107.08591	40.8
109.06500	23.2
109.10145	27.8
111.08097	3.6
117.07025	9.1
119.08556	17.6
121.06508	5.3
121.10133	38.8
123.08057	6.2
123.11685	37.4
125.06018	2.1
129.06978	2.3
131.08572	11.2
133.06493	3.4
133.10112	11.2
135.08073	14.4
135.11687	38.4
136.11954	3.0
137.13266	8.3
139.11185	7.4
143.08551	3.5
145.10091	9.1
147.08064	5.0
147.11649	12.0
148.04744	1.8
149.09641	11.2
149.13242	76.4
151.07532	4.9
157.10120	3.6
159.11668	4.9
161.09578	2.8
161.13242	9.8
163.11211	3.9
163.14807	26.3
167.10666	5.4
171.11646	2.5
173.13289	4.3
175.11183	2.1
175.14828	15.4
176.71350	1.8
177.12793	10.4
181.12277	6.5
185.13309	2.8
189.12811	3.7
189.16376	7.4
195.13824	12.7
199.14815	4.1
207.13745	3.5
217.15733	3.0
229.23546	10.7
245.18935	3.2
245.22639	100.0
246.22963	4.4
255.21022	5.1
273.18509	19.4
273.22076	12.0
291.02817	2.0
291.06558	2.3
291.19531	52.9
291.23160	79.3
291.27164	33.3
291.30157	2.9
292.23486	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.00388	1.6
52.85438	1.6
53.03957	2.7
55.05256	2.5
55.05510	24.6
57.07068	4.2
57.17867	1.7
59.05005	2.2
62.06418	1.9
64.08495	1.8
65.03938	3.3
67.05501	38.4
67.18504	1.6
69.07065	18.0
69.08530	13.3
79.05487	76.6
79.05952	3.9
81.07053	51.2
83.08614	7.8
85.06544	4.6
91.05476	24.9
93.07041	100.0
95.04962	8.1
95.08607	32.0
97.06501	2.3
97.10175	5.7
98.23456	3.7
105.04471	2.5
105.07009	17.8
107.08583	58.4
109.06496	3.2
109.10165	9.9
117.07011	4.2
119.08595	13.9
121.06616	1.7
121.09274	2.6
121.10141	44.6
123.11725	3.5
125.09634	2.0
131.08553	5.3
133.10139	13.1
135.08076	2.2
135.10640	2.5
135.11676	42.9
143.08598	3.2
144.40593	1.8
145.10115	5.9
147.11690	11.3
149.09564	4.1
149.13248	29.4
159.11601	3.3
161.13290	7.3
163.14827	9.0
171.11678	4.0
173.13255	3.5
175.14806	4.0
185.13277	4.1
199.14769	2.4
213.16501	2.3
235.16806	2.5
241.19569	3.6
259.20609	7.5
291.19833	1.6
291.23123	45.5
292.23453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.6
57.02320	2.2
69.07067	2.3
70.04071	3.0
70.04429	7.2
73.23816	2.1
81.07050	2.6
83.04972	100.0
93.07012	3.3
93.08519	2.7
98.22778	2.5
142.22997	2.7
144.73230	2.2
238.88687	5.6
275.81033	2.4
298.05298	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	292.1906
Annotation	Dendroxine
Peak:m/z	Relative Intensity
55.05511	0.9
57.35952	0.2
61.31203	0.2
63.82549	0.2
65.03925	0.3
67.05505	0.7
69.07077	0.3
70.06585	0.2
71.05418	0.3
79.05508	0.3
81.07038	0.6
82.07407	0.2
84.08171	0.3
91.05464	1.8
92.05000	4.8
93.05785	0.7
93.07039	0.3
94.06564	0.8
95.08553	0.2
106.06560	1.6
108.08134	0.2
115.05449	0.2
117.05750	1.4
118.06528	17.6
119.07333	2.4
120.04372	0.3
120.08091	1.5
123.11679	0.3
124.12065	0.3
124.82565	0.2
130.06519	1.5
131.07326	0.6
132.08072	2.7
133.08876	0.4
134.09648	0.6
143.08527	0.2
144.08032	1.2
146.09634	1.3
147.04416	0.5
148.11259	0.4
158.06752	0.3
158.09589	0.3
158.35036	0.2
159.08669	0.2
160.11215	0.6
162.09126	15.7
163.09917	3.5
164.10645	0.5
172.11269	0.2
176.10785	0.7
176.14340	3.1
188.07030	0.3
190.08607	1.8
202.15871	5.7
204.10190	0.7
218.11732	0.9
230.15373	19.4
231.15633	1.1
234.07512	1.0
246.08391	0.7
246.14848	2.6
248.09239	0.8
248.16417	2.7
262.10626	0.5
274.14404	0.6
274.18085	0.8
292.15472	20.6
292.19061	100.0
293.15726	0.9
293.19403	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06201	4.3
57.03145	4.9
57.03415	4.4
59.79316	4.9
61.20006	4.8
64.60573	4.8
67.05497	7.0
69.07072	8.4
69.09388	37.2
71.67797	4.6
79.05502	8.1
81.07042	8.8
83.04978	5.7
95.08601	8.8
98.23462	8.5
123.80218	4.9
124.51051	5.1
131.08574	5.9
133.28558	4.5
133.98279	4.4
149.23126	4.7
151.11282	5.5
163.93639	5.6
188.97931	68.3
206.99042	49.1
209.11668	6.5
237.11156	15.4
293.04117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61502	8.1
72.85792	4.5
73.46281	3.8
74.74884	3.7
161.99532	20.2
264.30801	4.4
264.98111	4.9
293.06186	100.0
293.08539	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Pentalenolactone G
Peak:m/z	Relative Intensity
51.02391	2.3
53.03926	6.0
53.50105	1.9
55.01865	15.4
55.05499	3.8
57.03425	6.9
61.02916	4.2
65.03936	5.1
67.05507	11.8
69.03426	77.2
69.03805	4.1
69.53304	9.2
71.01334	5.6
73.02931	3.1
77.03930	2.5
79.05487	32.4
81.03416	23.8
81.07043	16.6
83.04958	7.2
85.02906	19.0
91.04940	4.0
91.05476	55.2
91.06049	2.8
92.05813	2.9
93.07042	27.4
95.01302	4.3
95.04961	19.8
95.08590	26.0
97.02888	52.9
98.22750	4.0
99.04479	3.4
101.02367	3.9
103.05448	11.0
105.04508	4.2
105.07024	100.0
105.07734	5.1
106.16110	2.2
107.04945	27.7
107.08574	14.6
109.02876	6.0
109.06483	13.2
111.04438	12.2
111.08913	2.9
111.22238	2.1
113.02374	3.7
115.03921	4.0
115.05444	14.4
116.06223	5.7
117.07008	25.7
119.04920	8.5
119.08575	10.7
121.02865	2.8
121.06501	27.5
121.10136	1.9
123.04412	6.7
123.08044	10.0
125.02328	28.3
127.03877	3.4
128.06201	21.6
129.06992	30.8
130.07750	2.7
131.04915	22.0
131.08554	28.6
132.05644	2.6
133.06479	62.0
133.10097	2.3
134.07199	2.1
135.04420	5.4
135.08028	7.7
137.05983	2.9
139.03886	5.0
141.07002	10.1
142.07787	3.4
143.03358	15.9
143.08582	13.3
144.05737	3.8
145.06470	18.8
145.10129	13.2
147.04372	4.6
147.08040	14.6
149.06035	11.1
151.07516	30.8
153.06967	6.2
155.04930	2.7
155.06047	4.0
155.08537	22.7
157.06479	28.4
158.07288	2.7
159.08052	20.2
161.05946	15.0
161.09618	2.9
163.07516	4.5
165.06979	3.3
168.05673	4.1
169.06461	7.3
171.02875	16.4
171.08002	12.8
172.08743	2.4
173.05998	7.5
173.09636	14.0
175.07526	15.2
177.09091	3.9
181.06487	2.5
183.08031	17.7
185.05969	16.3
187.07530	17.1
189.05396	2.8
189.09096	6.3
191.06995	5.1
199.07562	8.2
201.09094	26.2
203.07021	8.2
205.08522	2.8
211.07530	7.5
215.07021	7.2
217.08597	6.9
219.10239	6.4
227.06940	2.8
229.08559	18.9
233.08063	7.4
245.08119	5.8
247.09610	19.3
249.07495	3.8
257.07944	3.9
263.09119	6.0
265.10724	3.2
275.09070	16.4
293.10150	78.7
294.10510	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1166
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03941	1.0
55.01864	4.3
55.05501	1.0
60.04512	1.9
61.01147	11.8
69.03422	0.6
69.32711	3.3
70.02942	0.8
71.04994	1.4
71.06110	1.1
71.20716	0.6
72.04514	12.9
73.02916	2.6
78.03789	26.3
81.03419	2.8
83.04968	2.2
84.08140	3.2
85.02905	18.4
86.06075	5.0
88.17250	0.5
89.07162	0.7
91.05525	0.8
95.04901	0.7
97.02888	0.6
98.02438	1.5
98.06054	1.3
98.97624	0.5
99.04459	10.9
102.03764	40.7
103.02174	4.6
103.03939	29.8
104.01696	1.9
109.02881	4.8
114.03751	3.2
114.05530	3.9
115.05029	0.9
115.08660	1.2
118.03233	1.0
119.08606	0.8
120.04799	10.5
126.05512	34.5
127.03912	11.3
131.06383	19.3
132.04781	15.2
141.06592	1.4
147.05852	2.2
149.07436	100.0
150.07721	1.8
152.07056	4.4
154.08641	5.3
156.06525	1.9
158.02716	1.2
162.05556	0.6
163.03928	0.7
168.04892	0.6
171.14920	0.7
174.07623	0.9
175.05367	5.5
180.06546	26.4
180.14818	0.6
181.06906	1.2
186.05864	1.7
191.08583	0.9
192.06653	0.7
198.07611	9.5
204.07018	0.7
216.08701	4.7
222.07828	1.1
231.11598	7.1
233.09564	1.7
251.92992	0.6
257.09589	2.9
275.10593	4.8
293.11633	74.5
294.11993	2.0
295.36456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	5.0
55.01869	12.7
55.05506	69.6
56.96547	4.7
57.03429	5.3
61.85332	1.6
62.85015	1.8
65.03926	3.3
67.05499	61.4
67.05868	2.9
69.03413	8.1
69.07062	27.2
69.76237	3.6
69.76629	4.4
71.04990	4.4
77.03922	2.3
79.05487	65.3
79.05948	3.7
81.03410	20.3
81.07050	100.0
82.07379	2.6
83.04968	9.2
83.08607	35.6
85.06519	5.1
91.05470	44.8
93.07033	37.0
94.83963	1.7
95.04961	42.7
95.08597	32.0
97.06511	9.9
97.10160	44.8
105.07021	38.5
107.04971	11.0
107.07843	2.6
107.08582	45.8
109.06514	32.0
109.10152	20.7
111.08059	7.5
117.07005	13.9
117.76316	2.0
119.08581	28.3
121.06463	6.4
121.10123	26.4
123.04421	2.7
123.08057	12.9
123.11682	4.5
125.09629	47.9
129.07025	2.9
131.08554	18.7
131.74902	1.8
133.06445	2.1
133.10115	25.6
135.08047	12.8
135.11670	11.3
137.09592	7.0
139.11159	3.1
143.08559	6.4
143.10616	2.7
145.06480	3.3
145.10121	18.4
147.08023	3.6
147.11667	16.1
149.09593	16.8
149.13226	6.4
151.11147	7.4
153.09163	2.6
153.12688	2.6
155.08543	2.5
157.10098	6.2
159.11664	12.8
161.09674	3.6
161.13271	5.1
163.11150	13.4
165.09109	2.1
165.12784	2.5
169.10147	2.4
171.10153	4.4
171.11617	3.2
173.09575	4.7
173.13271	6.3
175.11214	6.8
177.12737	6.2
181.12146	4.7
185.13315	2.9
187.11153	2.8
189.11198	35.3
189.12791	3.8
191.10570	2.2
191.14250	3.1
193.12143	2.9
211.14900	1.8
213.16508	1.9
215.14256	4.9
229.19374	2.9
233.15529	2.1
239.17993	4.8
241.11037	4.3
247.20537	6.5
253.11072	8.2
257.15363	4.4
257.18988	13.4
259.12045	6.1
265.21527	1.8
271.12183	9.0
275.16641	4.5
275.20038	93.4
293.21039	55.7
293.27893	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.97098	2.2
53.03942	8.0
55.01868	11.0
55.05260	4.1
55.05511	63.1
57.03425	9.1
57.85751	2.4
66.13624	2.3
67.05501	77.7
69.03410	6.6
69.07065	33.1
69.62493	8.7
69.62856	4.2
71.04987	17.1
73.60881	2.2
77.03930	3.4
79.05045	5.5
79.05492	100.0
79.05953	6.0
81.03400	14.7
81.07053	72.7
83.04964	13.1
83.08614	27.3
85.06552	3.7
91.05480	55.4
93.07040	74.5
95.04959	40.9
95.08598	49.1
97.06535	12.0
97.10165	21.0
99.08101	2.5
105.07030	36.6
107.04948	10.9
107.08590	56.9
109.06547	11.7
109.10151	25.5
111.08087	7.2
117.07024	11.8
119.08581	33.2
121.06515	5.4
121.10130	31.1
123.08038	11.9
123.11693	7.3
125.09652	20.9
129.07005	3.1
131.08604	13.4
133.10141	21.8
135.08038	5.1
135.11702	7.6
137.09618	35.3
139.11211	12.6
143.08522	3.3
145.10150	14.6
147.11678	14.6
149.09662	12.8
151.11172	4.9
157.10052	3.9
159.11700	11.0
161.13280	8.5
163.11169	7.1
169.10184	3.0
171.11655	4.1
173.11842	3.0
173.13234	8.1
177.12740	5.0
177.16389	2.9
179.14337	3.1
183.11696	4.4
189.11218	10.2
191.14244	2.3
201.12653	3.5
219.17484	8.5
223.13260	6.9
229.19604	4.0
239.17970	4.7
247.20709	4.8
257.19025	9.7
275.20059	64.5
276.20270	3.0
293.21057	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	5.3
55.01873	19.0
55.05510	56.4
57.03436	9.6
57.07058	7.0
59.04998	1.8
65.03938	4.4
67.05503	88.3
69.03438	11.1
69.07069	41.5
69.48421	8.2
71.04993	9.5
77.03900	2.2
79.05044	3.4
79.05494	67.7
81.03419	14.9
81.07055	100.0
83.04987	13.2
83.08614	27.9
85.06511	6.0
90.64947	1.6
91.04946	3.2
91.05483	54.4
91.06052	3.5
93.07046	59.0
95.04967	51.6
95.08023	3.1
95.08607	51.1
97.06533	19.5
97.10145	11.7
98.97545	3.3
99.08063	3.3
105.04515	2.8
105.07034	50.5
107.04980	11.9
107.08591	61.6
109.06513	20.4
109.10156	41.6
111.04442	4.2
111.08053	7.1
113.05981	2.4
115.72755	1.7
117.07008	16.6
119.08582	40.7
121.06499	6.5
121.10142	24.1
123.08075	24.4
123.11668	10.0
125.09631	11.8
127.07533	2.7
129.06987	4.7
131.08565	17.5
133.06465	3.3
133.10135	43.6
135.08061	7.3
135.11707	9.1
137.05986	25.7
137.09616	31.7
139.11189	6.3
143.08528	4.2
145.10126	16.2
147.07991	3.6
147.11694	20.8
149.09621	19.5
149.13248	3.1
151.11182	21.1
155.08553	2.8
155.10640	2.8
157.10062	4.9
159.11707	11.3
161.13264	6.3
163.11189	12.6
165.09093	4.3
165.12706	4.4
169.10052	2.8
171.11617	3.4
173.11882	2.5
173.13219	11.5
177.12733	5.0
178.58659	1.5
179.10663	2.8
181.12157	2.1
183.11632	4.6
187.11140	2.1
189.11197	7.8
191.10709	4.0
193.12202	1.8
199.14804	2.2
201.12666	2.7
205.12271	2.0
205.15858	2.2
209.11652	6.3
212.11530	1.8
212.23817	1.7
219.17451	2.6
223.13283	7.0
229.19485	5.5
237.11136	8.3
237.14723	3.3
239.17825	4.7
247.20515	5.9
257.18970	7.7
275.20065	76.0
276.20325	3.4
293.21060	61.6
293.27856	2.3
294.21616	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.90468	1.9
51.81244	1.9
53.03938	4.8
53.23079	1.9
54.72747	1.9
55.01866	11.6
55.05509	66.0
57.03440	2.5
57.07073	2.4
59.04999	3.4
65.03935	3.8
67.05501	50.3
69.03427	5.6
69.07063	15.6
69.97990	4.7
69.98355	4.6
71.04984	4.7
72.67251	2.2
77.03926	2.6
79.05492	88.2
79.05952	4.4
81.03427	4.6
81.07050	35.0
83.04988	16.3
83.08607	21.9
84.27421	1.9
85.88508	2.2
91.05478	34.4
93.07045	40.3
95.04974	14.0
95.08604	17.6
97.06532	5.7
97.10162	30.7
105.04507	3.0
105.07022	36.1
107.04946	42.0
107.08596	68.4
109.06527	4.4
109.10154	21.2
111.08107	4.1
115.05508	2.3
117.07037	12.9
119.08574	24.3
121.06492	4.3
121.10145	18.1
123.11723	8.1
125.09640	33.3
129.07008	3.4
131.08551	12.4
133.10123	23.7
135.08057	9.5
135.11656	5.7
137.05971	13.9
137.09637	5.9
145.10071	12.7
147.11682	14.8
149.09618	85.8
149.10834	4.6
149.13271	2.4
151.11160	3.3
153.09070	4.7
155.10643	3.3
157.10030	2.4
159.11618	10.0
161.13242	4.7
169.12231	4.0
171.10124	3.3
173.11836	5.2
173.13287	7.6
177.12598	2.5
183.11723	2.5
187.11166	2.7
187.13271	4.2
187.14796	2.9
189.11211	23.9
197.13342	3.4
209.15314	2.6
229.19533	9.6
239.17775	2.8
247.20395	2.7
257.18973	18.6
275.20044	100.0
276.20361	5.2
293.21017	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	3.6
55.01873	7.5
55.05508	25.7
55.78731	1.5
57.03438	2.7
57.07072	2.6
65.03934	2.0
67.05161	2.8
67.05505	44.7
68.72102	1.6
69.03415	2.5
69.07066	32.0
70.04623	5.1
71.04987	5.2
79.05489	41.0
81.03422	9.3
81.07054	100.0
83.04993	8.3
83.08615	10.6
85.06566	4.6
91.05479	26.2
93.07040	29.4
95.04963	32.3
95.08606	32.4
97.06528	6.2
97.10165	3.9
99.08077	2.4
105.07024	26.8
107.04945	6.1
107.08589	19.1
109.06520	23.4
109.10159	15.0
111.08099	7.3
113.02783	1.5
113.05987	2.3
117.07008	7.6
119.08577	25.4
121.06515	5.4
121.10149	15.7
123.08080	23.2
123.11706	8.8
125.09649	2.5
127.07540	2.1
129.07013	2.0
131.08545	12.0
133.10109	23.7
135.08067	4.0
135.11665	7.2
137.09612	11.7
143.08588	3.0
145.10121	10.3
147.11682	20.2
149.09610	9.6
149.13252	3.4
151.11157	4.1
157.10103	2.5
159.11700	7.6
161.09668	1.8
161.13257	5.9
163.11182	7.3
165.12744	4.4
171.11687	3.4
173.09666	2.0
173.13289	4.2
175.11285	2.6
177.12671	2.4
183.11790	2.4
187.11201	1.5
193.12175	2.4
194.44595	1.9
201.12698	2.8
205.15814	2.0
207.13776	2.8
221.15343	1.8
229.19508	2.9
237.14905	5.1
239.17941	2.2
247.20573	5.5
257.18863	7.1
275.17041	3.4
275.20041	50.4
293.21085	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	7.1
55.01876	15.5
55.05510	35.1
57.03434	3.2
57.07081	1.9
61.12994	1.2
65.03949	2.5
67.05499	56.9
69.03419	2.9
69.07059	24.9
69.63751	5.8
71.04983	4.7
71.76952	1.2
77.03921	1.5
79.05488	53.1
80.05792	1.5
81.03409	10.5
81.07051	67.7
83.04990	9.9
83.08614	20.5
85.06541	3.2
91.05475	37.3
93.07036	40.1
95.04968	18.8
95.08601	36.8
97.06528	12.4
97.10162	18.3
99.08066	1.9
105.07024	39.1
107.04939	12.3
107.08588	50.0
109.06504	15.6
109.10143	16.9
111.08098	2.9
114.44241	1.1
117.07011	12.4
119.06046	1.8
119.08566	25.7
119.59991	1.2
121.06521	4.2
121.10142	18.0
123.08067	11.7
123.11709	4.3
124.84552	1.1
125.09629	14.5
128.06171	1.6
129.06993	3.5
131.08562	16.7
131.09470	1.8
133.06508	1.9
133.10118	25.3
135.08029	7.6
135.11685	10.0
137.09610	9.0
137.13264	1.8
139.11180	3.5
141.06995	1.6
143.08554	2.2
145.06474	1.6
145.10095	14.5
147.08032	2.1
147.11684	18.2
149.09604	19.9
149.13260	5.3
151.11151	9.5
153.09087	2.2
155.08524	2.4
157.10110	4.0
159.11671	13.6
161.13245	5.8
163.11162	9.4
165.09106	8.5
165.12694	3.0
169.10144	3.6
171.10231	1.8
171.11676	4.2
173.13257	5.5
175.11157	3.2
177.12758	4.3
181.12306	2.0
181.68541	1.2
183.11685	2.1
187.11201	3.3
187.14813	2.6
189.11183	9.0
189.12711	1.9
197.13309	1.4
199.14793	1.4
201.12740	3.0
203.12688	2.3
207.13878	2.8
215.17882	1.5
229.19467	6.0
239.18004	7.5
247.20540	8.0
257.18973	12.9
265.21442	1.5
275.20035	100.0
276.20508	3.2
293.21054	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03331	2.0
53.03938	6.4
55.01866	20.0
55.05261	2.8
55.05511	35.9
56.96548	8.2
56.96810	1.8
57.03434	5.0
57.07082	2.4
65.03931	4.3
65.10307	2.3
67.05167	4.1
67.05503	61.9
69.03436	3.2
69.07066	28.2
70.00954	5.9
71.04986	6.1
79.05051	4.2
79.05489	65.3
79.05944	4.3
81.03410	11.4
81.07051	100.0
83.04969	10.2
83.08613	24.5
85.06563	3.4
87.04489	2.4
91.05478	42.0
93.07037	48.3
95.04967	22.0
95.08601	43.9
97.06537	11.4
97.10170	12.5
105.04485	2.7
105.07029	33.8
107.04961	12.7
107.08588	44.1
109.06514	35.0
109.10132	20.3
111.04424	2.7
111.08070	7.1
113.06002	2.5
117.07024	11.4
119.08575	29.3
120.08904	2.1
121.06468	7.5
121.10122	19.0
123.08054	15.8
123.11678	8.2
125.09617	14.6
128.69397	2.6
129.06993	5.4
131.08569	20.3
133.06451	2.4
133.10109	30.7
135.08064	8.4
135.11678	10.8
137.09618	10.3
139.11168	3.4
143.08540	4.7
145.10130	15.7
147.11696	19.3
149.09598	16.6
149.13269	5.3
151.11183	7.9
155.08527	3.6
157.10156	5.1
159.11713	11.6
161.09563	2.6
161.13232	5.2
163.11136	14.6
165.12733	3.7
171.11655	2.6
173.13240	9.4
175.11169	4.2
175.14911	2.2
183.11676	4.0
187.11017	2.5
187.14764	3.7
189.11278	6.4
189.12828	2.7
219.13786	2.7
223.13339	3.4
229.19530	5.5
233.18852	3.4
239.17969	6.7
246.72124	2.5
247.20547	8.8
253.11089	16.9
257.18939	14.5
265.21649	3.2
271.12198	19.0
275.20035	98.0
290.98880	2.4
293.21097	38.0
293.27637	3.0
294.14944	6.3
294.21298	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	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.48927	1.1
55.01857	3.7
55.05508	15.5
55.77487	1.2
56.66136	1.0
57.03428	2.5
57.07059	3.1
65.03944	1.3
67.05160	1.9
67.05502	31.4
69.03411	2.1
69.07064	24.7
69.53520	2.4
69.53909	2.6
71.04984	2.3
79.05487	22.9
81.03445	1.3
81.07052	35.2
83.04971	7.5
83.08606	4.3
83.69135	1.2
85.06514	1.6
91.05468	20.0
91.06002	2.2
93.07039	25.9
93.52499	1.1
94.07352	1.3
95.04954	9.4
95.08591	23.0
97.06512	3.3
97.10152	2.5
98.23478	2.3
104.46940	1.0
105.06350	1.9
105.07022	25.9
107.04935	7.3
107.08582	18.3
107.24348	1.1
109.06514	11.9
109.10142	9.1
111.08070	2.0
113.95271	1.1
117.07003	5.0
119.08587	13.9
121.06491	10.8
121.10129	8.6
123.08054	5.9
123.11678	3.2
125.09624	2.4
129.06987	2.1
131.08562	15.6
133.06456	2.4
133.10115	18.2
135.08041	6.1
135.11661	6.3
137.09587	3.8
141.06963	1.6
143.08572	2.8
145.06425	1.3
145.10098	12.6
147.08035	3.4
147.11676	12.3
149.09608	5.2
149.13246	1.6
151.11198	8.0
155.08563	1.5
157.10124	4.0
159.08049	1.8
159.11671	6.1
161.09595	3.6
161.13234	3.0
163.11191	5.6
163.14774	1.8
169.10078	1.2
171.11639	2.8
173.09608	3.1
173.13196	5.1
175.11159	1.8
175.14763	1.7
177.12691	1.8
183.11703	3.4
185.13228	2.7
187.14767	1.5
191.14265	3.0
197.13142	1.7
199.14738	1.5
201.12730	3.5
207.13725	3.0
215.14197	1.7
215.17812	2.2
219.13728	7.4
229.19489	3.6
235.16939	1.4
239.17960	3.0
247.20583	5.9
257.19009	15.0
275.20047	100.0
276.20377	3.5
293.21054	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48927	1.1
55.01857	3.7
55.05508	15.5
55.77487	1.2
56.66136	1.0
57.03428	2.5
57.07059	3.1
65.03944	1.3
67.05160	1.9
67.05502	31.4
69.03411	2.1
69.07064	24.7
69.53520	2.4
69.53909	2.6
71.04984	2.3
79.05487	22.9
81.03445	1.3
81.07052	35.2
83.04971	7.5
83.08606	4.3
83.69135	1.2
85.06514	1.6
91.05468	20.0
91.06002	2.2
93.07039	25.9
93.52499	1.1
94.07352	1.3
95.04954	9.4
95.08591	23.0
97.06512	3.3
97.10152	2.5
98.23478	2.3
104.46940	1.0
105.06350	1.9
105.07022	25.9
107.04935	7.3
107.08582	18.3
107.24348	1.1
109.06514	11.9
109.10142	9.1
111.08070	2.0
113.95271	1.1
117.07003	5.0
119.08587	13.9
121.06491	10.8
121.10129	8.6
123.08054	5.9
123.11678	3.2
125.09624	2.4
129.06987	2.1
131.08562	15.6
133.06456	2.4
133.10115	18.2
135.08041	6.1
135.11661	6.3
137.09587	3.8
141.06963	1.6
143.08572	2.8
145.06425	1.3
145.10098	12.6
147.08035	3.4
147.11676	12.3
149.09608	5.2
149.13246	1.6
151.11198	8.0
155.08563	1.5
157.10124	4.0
159.08049	1.8
159.11671	6.1
161.09595	3.6
161.13234	3.0
163.11191	5.6
163.14774	1.8
169.10078	1.2
171.11639	2.8
173.09608	3.1
173.13196	5.1
175.11159	1.8
175.14763	1.7
177.12691	1.8
183.11703	3.4
185.13228	2.7
187.14767	1.5
191.14265	3.0
197.13142	1.7
199.14738	1.5
201.12730	3.5
207.13725	3.0
215.14197	1.7
215.17812	2.2
219.13728	7.4
229.19489	3.6
235.16939	1.4
239.17960	3.0
247.20583	5.9
257.19009	15.0
275.20047	100.0
276.20377	3.5
293.21054	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.02701	1.3
52.39810	1.5
53.03945	8.5
53.96239	1.6
55.01867	29.0
55.05508	31.4
57.03437	3.5
57.07079	3.5
65.03919	2.2
67.05502	51.9
69.03426	1.8
69.07064	36.3
69.48786	7.0
71.05000	3.8
71.08619	1.8
79.05489	51.0
80.05810	1.8
81.03400	20.3
81.07051	49.5
83.04990	8.0
83.08618	13.3
85.06563	3.9
88.07628	2.1
91.05478	37.8
92.05797	3.2
93.07036	40.8
93.07603	2.5
94.06566	2.9
95.04964	21.6
95.08601	32.8
97.06528	28.6
97.10156	13.1
99.08080	3.5
101.14659	1.5
105.04533	2.2
105.07018	34.9
107.04945	17.7
107.08583	58.9
108.08908	3.7
109.06504	13.4
109.10159	13.5
110.06911	2.4
111.08051	2.2
115.05522	2.0
117.07037	11.9
119.06075	2.1
119.08574	25.0
121.06468	8.2
121.10149	15.6
123.08085	10.8
123.11703	2.6
125.09625	11.4
129.07001	2.3
131.08566	14.7
131.58298	1.5
133.06453	2.7
133.10107	26.8
135.08009	12.8
135.11659	11.3
136.08351	3.5
137.08687	3.3
137.09636	5.9
139.11147	1.9
143.08565	3.2
145.06511	3.5
145.10112	17.5
147.11664	14.2
149.09593	28.0
149.10672	2.3
149.13268	5.8
151.11194	13.7
157.10159	4.4
159.11691	16.7
161.09593	2.6
161.13264	6.4
163.11157	11.8
163.14761	2.4
165.09126	14.8
165.12900	1.7
169.10133	3.8
171.11676	2.7
173.13254	10.8
174.13637	1.7
175.11226	2.7
177.12746	7.1
179.14313	3.0
181.12227	1.6
181.88197	2.0
183.11810	3.1
187.11211	9.9
187.14871	3.8
189.11279	8.3
189.12749	2.6
195.13821	1.8
197.13301	2.9
201.12810	2.0
213.16434	2.4
215.17976	5.8
229.19493	5.1
233.19095	1.8
236.59634	1.7
239.17921	5.5
247.20473	10.6
257.19037	14.6
265.22800	2.9
275.20044	100.0
276.20374	5.2
293.11725	2.8
293.15628	2.7
293.21063	46.2
293.27747	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	4.0
55.01874	12.9
55.05512	31.7
57.03431	4.8
57.07073	3.4
65.03951	3.4
67.05503	52.7
69.03422	3.2
69.07072	30.2
69.65427	5.6
71.04987	4.8
77.03942	2.1
79.05487	59.3
81.03414	7.8
81.07056	100.0
82.07410	1.7
83.04974	6.1
83.08607	19.0
85.06529	4.0
91.05476	40.4
91.06062	2.2
93.07042	36.0
95.04971	29.9
95.08602	32.7
97.06524	7.6
97.10165	10.1
99.08051	2.6
105.07021	48.8
107.04949	10.2
107.08591	52.5
109.06509	20.8
109.07656	3.6
109.10150	28.8
111.08089	6.9
117.07013	9.5
119.08564	40.9
121.06510	2.9
121.10132	20.9
123.08055	13.6
123.11732	8.1
125.09638	7.7
127.07552	2.5
129.06995	4.3
131.08543	20.1
131.09303	1.8
133.10120	34.9
135.08052	8.0
135.11694	8.6
137.09633	10.5
139.11179	2.0
145.10136	17.9
147.11673	21.0
149.09624	14.4
149.13190	2.4
151.11191	10.9
151.72742	1.7
155.08640	2.2
157.10164	4.5
159.11664	12.9
161.09532	2.6
161.13287	5.8
163.11197	6.6
165.12654	2.3
169.10126	2.2
171.11674	3.9
173.13229	20.1
175.14919	1.9
177.12793	2.7
183.11667	2.4
185.13313	2.8
187.14868	3.2
189.11237	4.1
189.16405	3.0
193.12206	2.1
197.13206	3.8
201.12813	2.0
206.78360	1.7
229.19510	19.4
237.14893	3.1
239.18045	6.1
247.20630	9.7
257.19003	8.7
275.20035	75.9
276.20520	2.8
293.21063	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03963	1.7
54.55900	1.8
55.01876	5.5
55.05513	17.6
57.03451	2.1
57.07074	5.4
67.05508	27.4
67.19762	1.7
69.03429	3.1
69.07068	32.1
69.75092	5.7
69.75439	1.7
71.05000	3.0
72.00140	1.6
79.05490	21.0
81.03465	2.2
81.07058	33.2
81.07505	2.5
83.04999	6.1
83.08619	8.2
85.06559	2.4
91.05484	20.5
93.07052	26.9
94.07394	1.9
95.04971	13.2
95.08604	26.4
97.06528	5.5
97.10172	3.8
105.07023	27.0
107.04977	9.3
107.08607	22.7
109.06532	12.4
109.10153	12.6
117.07034	7.0
119.08594	15.4
121.06482	9.6
121.10170	9.0
123.08098	6.1
123.11704	4.5
125.09707	1.8
129.06973	2.7
131.08568	11.9
133.10147	19.3
135.08047	4.1
135.11696	7.4
137.09622	5.3
143.08592	3.0
145.06479	2.0
145.10136	10.9
147.08052	3.8
147.11714	10.5
149.09637	6.7
149.13277	4.5
151.11208	7.6
157.10072	3.0
159.08061	3.1
159.11694	7.3
161.09656	3.2
161.13284	3.5
163.11166	5.4
163.14793	2.3
171.11705	3.9
173.13283	5.5
175.11116	2.0
177.05536	2.4
187.11211	2.2
188.97862	1.7
191.14290	2.2
206.98969	1.7
207.13782	2.7
209.11734	2.0
215.14310	2.4
219.13824	6.5
229.19533	2.8
237.11177	2.1
238.88911	1.9
239.17947	3.7
247.20529	3.4
257.18967	15.4
275.20071	100.0
276.20322	3.6
293.21136	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	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03942	6.5
54.48627	4.2
55.01860	16.0
55.05507	45.6
57.03423	5.7
57.07064	15.3
59.04991	3.7
59.74703	3.6
63.05829	3.5
67.05166	5.7
67.05504	90.1
69.03429	4.4
69.07063	24.1
69.08321	31.1
71.04977	4.9
71.99612	3.4
79.05488	85.4
81.03401	5.4
81.07058	69.3
83.04967	15.2
83.08600	18.3
85.06547	4.8
91.05479	65.2
93.07044	59.3
95.04956	13.9
95.08607	51.2
95.71064	4.0
97.06540	7.2
97.10157	17.1
99.25880	4.2
105.07021	55.2
107.04961	22.1
107.08592	41.1
109.06527	9.8
109.10149	30.6
111.04424	6.8
111.08070	3.6
114.76718	4.1
117.06994	18.5
119.08585	40.1
121.06440	6.3
121.10140	35.5
123.08067	10.5
123.11693	8.4
123.29687	4.0
125.09626	13.1
129.07039	4.2
131.08615	17.9
133.10132	36.7
135.08057	9.6
135.11693	11.3
137.09624	9.2
143.08562	5.1
145.10104	17.3
147.11678	22.8
149.09610	39.0
159.11703	14.0
161.13243	7.8
163.11195	8.7
165.12749	4.8
173.13289	15.9
177.12772	4.9
181.04927	5.8
183.95715	4.2
189.11218	7.3
191.10619	6.9
195.10248	4.0
197.13058	5.2
201.16243	5.1
209.11745	10.9
229.19434	5.3
237.11218	20.2
239.17906	3.7
247.20616	8.6
256.13708	4.1
257.18994	16.0
275.17050	6.2
275.20038	100.0
293.21155	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	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03944	7.0
54.99843	2.9
55.01870	21.2
55.05509	63.5
55.05779	3.6
57.03438	6.3
57.07073	11.7
58.42721	3.0
65.03915	5.2
67.05504	55.2
69.03410	4.8
69.07065	14.5
69.62928	11.5
71.04999	5.8
71.08624	3.7
75.33622	2.6
79.05491	98.0
81.03446	2.9
81.07050	40.8
83.04963	14.9
83.08628	21.6
85.06541	3.3
91.05469	37.3
93.07044	44.3
95.04996	15.2
95.08599	19.2
97.06528	6.4
97.10163	31.5
99.08109	3.8
104.41391	2.9
105.07047	37.8
107.04949	53.0
107.08595	68.3
107.09339	3.3
109.06519	6.3
109.10149	23.4
111.04446	5.5
111.08070	6.2
115.05464	3.1
117.07018	14.4
119.08586	24.0
121.06497	8.6
121.10111	18.2
123.08045	3.5
123.11716	9.1
125.05946	4.1
125.09639	42.7
129.06999	8.1
131.08571	15.0
133.10135	25.5
134.47957	2.9
135.04407	20.3
135.08032	14.9
137.09639	3.3
139.07542	3.2
145.06461	31.4
145.10146	10.0
147.11713	14.1
149.08475	6.0
149.09621	89.8
150.81209	3.0
151.11223	4.6
153.05421	4.1
153.09105	7.4
159.11729	10.3
161.05920	3.3
161.13248	7.1
163.11179	6.9
163.14745	4.3
165.12660	3.0
169.12173	4.6
173.11768	4.2
173.13246	6.5
177.05531	3.7
178.06262	4.2
180.51118	2.8
181.05042	7.2
181.12079	3.8
185.06017	10.2
187.11351	3.5
187.13292	3.7
187.14825	4.0
189.11215	29.2
191.08711	3.0
191.10670	6.5
205.12404	3.0
209.11726	17.5
215.17981	4.8
219.08028	4.2
229.19516	11.5
233.09578	3.1
234.10376	5.0
237.11110	25.4
238.36409	2.8
239.18073	5.3
247.20456	4.2
257.18948	22.9
260.49570	3.0
264.10202	2.7
265.12183	5.1
275.10773	2.9
275.20047	100.0
282.36145	3.2
293.11819	30.0
293.21097	20.2
308.70331	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.01857	3.3
55.05511	13.6
55.49356	1.7
57.03437	17.4
57.07066	7.9
59.05018	1.9
62.95548	1.7
67.05503	25.5
69.03431	11.6
69.07070	15.1
69.19119	12.4
71.04990	3.9
77.03958	2.1
79.05492	22.8
81.03413	5.6
81.07056	31.4
83.04980	5.7
83.08621	8.9
85.02904	1.8
85.06558	4.5
91.05480	22.2
93.07039	25.5
95.04973	12.0
95.08614	18.3
95.10311	2.0
97.06545	4.1
97.10177	2.2
99.04446	5.0
99.08093	2.9
105.07036	15.2
107.04949	3.0
107.08595	18.8
109.06515	7.1
109.10151	6.2
111.04462	4.4
111.08092	2.2
117.07022	6.7
118.30588	1.9
119.08586	20.0
121.06492	5.1
121.10140	8.5
123.08044	7.0
123.11727	2.2
129.07048	3.4
131.08553	15.4
133.10118	14.0
135.08034	4.3
135.11681	5.7
137.09621	5.7
145.10094	10.9
147.11682	10.2
149.09621	6.7
149.13219	2.2
151.11168	2.5
157.10100	2.8
159.11685	6.4
161.13258	5.2
163.11148	2.2
170.11836	3.1
173.13297	3.9
185.13245	5.4
189.16399	2.0
191.10667	3.5
199.14740	3.9
201.16356	6.7
203.14290	4.7
209.11743	8.2
219.17436	100.0
220.17810	3.0
221.15381	4.5
237.11182	12.8
239.17924	2.3
247.20540	2.3
257.19025	6.3
265.21597	2.0
275.20044	47.9
275.22940	3.3
277.21600	4.4
293.21097	25.8
303.94403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03951	39.8
55.01873	27.6
55.05512	37.2
57.03431	7.0
57.07072	11.3
59.62915	4.2
63.94773	3.8
65.03959	6.8
67.05501	81.6
69.07070	56.7
71.05007	6.9
79.05499	53.0
80.39262	4.1
81.03410	68.9
81.07053	100.0
83.04973	11.5
83.08626	18.6
85.06577	4.5
85.59639	3.7
88.55422	4.1
91.05470	69.6
91.05992	7.1
93.07040	55.7
95.01354	11.0
95.04968	22.9
95.08603	55.9
97.06537	37.8
99.08019	5.0
105.04549	5.6
105.07024	84.6
107.04961	31.0
107.08601	25.6
109.06523	10.1
109.10159	15.3
117.07038	22.0
119.08566	49.6
121.06562	5.1
121.10147	13.9
123.08041	20.4
123.11668	5.0
125.09613	4.7
131.08566	28.9
133.10133	44.8
135.08076	9.9
135.11685	14.7
137.09639	6.4
143.66142	4.3
145.06496	9.0
145.10121	28.8
147.11716	23.3
149.09601	13.1
151.11169	8.9
159.11731	25.8
161.13231	6.6
163.11192	9.2
169.10129	6.5
173.13245	5.2
177.12720	11.5
179.14268	22.3
187.11185	12.0
195.13910	5.4
197.13268	5.7
209.11763	5.7
219.17358	4.0
237.11221	16.3
275.20074	51.4
293.21072	50.0
294.21414	4.4
295.47028	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03936	4.5
55.01858	11.2
55.05509	39.2
57.07074	5.2
59.05001	2.3
61.38674	2.6
65.03931	6.5
67.05499	86.1
69.03409	6.2
69.07065	23.9
70.03719	5.6
71.04987	31.2
71.77191	2.4
73.06493	2.2
79.05488	78.5
81.03414	3.3
81.07053	88.3
83.04971	20.7
83.08633	15.9
85.06552	7.5
87.12271	2.4
91.05474	76.6
92.05755	4.4
93.07037	62.4
95.04967	27.2
95.08600	51.3
97.06526	30.7
97.10172	21.0
99.08088	4.2
105.04517	5.2
105.07024	61.8
107.04950	3.7
107.08582	49.0
109.06501	25.9
109.10150	17.2
111.08073	9.2
117.07017	14.9
119.08572	46.1
121.06532	3.7
121.10136	29.6
123.08054	36.5
123.11719	7.0
125.09597	14.9
129.07004	6.0
131.08556	24.6
133.10123	35.0
135.08011	9.0
135.10768	2.5
135.11639	12.6
137.09628	19.4
139.11176	4.5
143.08572	4.3
145.10118	19.0
147.11674	23.0
149.09593	5.7
149.13177	4.9
151.11201	6.3
153.09114	2.9
157.10182	5.4
159.11676	7.9
161.13290	10.2
163.11142	4.5
165.12689	3.0
167.10652	2.5
171.11693	6.8
173.13156	5.3
175.14761	4.1
177.12811	3.0
181.04967	3.7
181.12210	4.0
183.11714	4.0
189.11212	11.0
197.13281	4.1
203.68440	2.8
207.13860	2.8
209.11766	3.7
211.76436	2.4
226.55275	2.6
236.07150	2.9
237.11142	6.6
239.18176	5.5
249.18411	9.0
257.19031	8.2
275.20059	63.6
276.20309	4.6
293.21082	100.0
293.24350	5.8
294.21359	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03946	2.8
55.05511	11.6
57.07074	3.5
65.03941	3.3
67.05502	90.4
69.07064	11.0
71.43809	1.6
73.48801	1.5
79.05491	18.5
81.07053	100.0
83.04952	3.1
83.08617	6.6
85.06551	3.1
91.05476	7.0
93.07050	14.5
95.04985	2.3
95.08601	83.7
97.06546	2.6
97.10146	4.9
105.07034	6.5
106.43481	1.4
107.08588	12.1
109.06496	1.6
109.10152	35.4
111.08109	2.1
117.07022	4.1
119.08569	4.5
121.10125	10.1
123.08051	3.3
123.11700	19.9
123.13881	1.4
125.09610	2.4
127.07486	1.3
129.09122	2.3
131.08531	6.0
133.10143	5.1
135.08052	2.0
135.11684	7.1
137.09618	2.6
137.13263	9.5
145.10120	5.7
147.11697	4.7
149.09612	4.1
149.13260	3.5
151.11206	2.6
151.14806	4.2
159.11696	4.2
161.13232	2.4
163.11127	2.9
163.14784	3.4
165.12794	1.6
173.13255	7.2
177.12735	3.9
177.16414	3.2
179.14337	2.5
181.04990	2.6
185.88660	1.6
187.14822	3.5
191.14314	4.6
203.85733	1.6
205.15851	2.4
209.11705	3.0
219.21082	1.5
233.11600	1.6
237.11157	6.9
243.21124	5.5
261.22153	5.5
275.20068	3.0
293.21558	2.3
293.24753	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	294.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43476	0.4
55.03007	0.3
55.05507	5.8
55.21815	0.4
56.50032	0.4
57.03428	1.4
60.04533	0.4
60.05648	8.0
61.02921	2.6
69.03427	6.9
71.04987	0.9
71.41336	0.4
71.42658	0.4
72.08157	4.2
73.02908	2.1
73.06551	20.4
81.03413	2.6
83.01354	0.5
84.04496	0.6
84.08157	1.5
85.02904	8.9
87.04458	1.7
90.09190	13.5
91.03955	0.5
97.02888	3.7
97.07663	2.3
99.04443	1.0
101.02371	0.7
109.02872	1.5
114.10275	4.7
115.03922	0.4
115.08691	2.6
117.07807	0.4
118.95766	0.4
127.03886	1.9
130.04930	0.4
131.31143	0.4
132.11319	100.0
133.11682	1.4
145.04985	0.8
163.02690	0.4
165.81200	0.4
174.12434	0.4
177.00883	0.5
193.04604	0.4
219.01965	0.8
247.01433	0.6
294.16568	97.6
295.16809	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	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06082	0.2
57.07072	1.3
61.93896	0.2
65.03924	0.3
66.04710	0.4
67.05492	0.7
69.07067	0.2
69.36465	1.2
71.08624	1.4
79.05487	1.0
81.07048	1.1
91.05482	0.8
94.04179	2.7
95.08553	0.2
98.22739	0.5
102.91364	0.2
107.04915	0.4
109.06514	0.5
109.10197	0.3
122.03644	8.1
135.04453	0.4
137.05971	100.0
138.06291	1.9
141.12738	2.3
158.15440	1.2
162.11053	0.2
170.15327	0.3
174.35820	0.2
294.20819	0.3
296.33368	0.3
300.28464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.01016	0.2
55.01861	0.5
55.05501	0.8
57.07061	0.6
58.02963	0.3
67.05494	1.9
68.05828	0.6
69.03424	0.3
69.07050	0.7
70.39527	0.5
71.08616	0.4
79.05480	1.5
80.05832	0.2
81.03403	0.3
81.07053	3.4
82.07373	0.3
83.04955	0.4
83.08620	0.3
91.05470	1.4
93.07030	0.8
94.04186	2.6
94.07341	0.2
95.04935	0.5
95.08599	0.5
95.70146	0.2
96.08909	0.2
97.06556	0.4
97.10143	0.3
98.06850	0.2
105.07021	0.5
106.07350	0.4
107.04945	0.7
107.08582	1.0
108.08917	0.5
108.91520	0.2
109.06493	0.9
109.10149	0.6
110.10494	0.5
114.09205	0.3
119.08601	0.5
121.10118	0.4
122.03639	7.3
122.04540	0.4
123.11688	1.7
131.08565	0.3
133.10117	0.7
134.10461	1.0
137.05963	100.0
138.06308	1.6
139.11134	0.3
139.93434	0.2
141.12787	0.3
147.11646	0.3
148.11983	0.3
151.11124	0.4
152.11539	0.4
158.15416	1.5
159.00822	0.2
170.15417	2.2
210.57681	0.2
276.20334	1.1
277.21448	0.2
294.20969	1.1
295.16830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01854	1.0
55.58507	0.3
57.03431	0.6
63.02380	0.3
66.25301	0.3
69.03425	12.4
69.03806	0.7
71.01328	0.4
71.41977	0.3
73.02908	0.4
79.05503	0.7
85.02903	3.9
87.04466	0.5
88.50452	0.3
89.03903	4.6
89.10126	0.3
91.05472	0.5
93.07027	0.3
95.04951	0.4
95.08588	0.4
97.02891	12.7
97.83113	0.3
104.36125	0.3
105.07023	0.6
107.04940	1.6
115.03917	5.9
117.03376	7.4
123.04403	0.7
133.06448	0.3
135.04408	16.7
145.01691	0.6
145.02843	11.4
146.03203	0.4
147.04416	0.6
151.07516	1.8
151.08630	0.3
152.41563	0.3
163.03891	100.0
164.04245	1.9
175.07355	0.3
177.05458	0.4
181.04930	0.9
185.05995	0.3
193.18614	0.3
201.05429	0.5
202.90486	0.3
213.05560	0.7
217.04935	3.9
231.06548	0.5
241.05042	0.6
257.86929	0.3
259.05942	0.4
277.07062	3.2
295.08072	2.7
295.13226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	1.8
55.01858	2.2
57.03430	56.4
59.04994	2.1
61.02921	13.1
67.05467	1.3
69.03422	54.7
69.07059	1.3
71.01350	10.9
71.04985	1.3
73.02908	100.0
74.43447	1.0
79.05491	1.0
81.03410	4.6
81.07040	2.2
83.04955	2.5
85.02895	70.4
85.19202	1.0
87.04469	5.7
89.11491	0.9
91.03936	3.2
91.05475	1.3
93.07011	1.5
95.04979	1.6
95.08592	1.6
97.02881	66.3
97.73965	0.9
98.03248	1.1
99.04443	2.3
103.03967	2.2
105.73213	1.0
107.04934	1.1
109.02870	4.1
115.03918	61.3
120.26024	0.9
123.04369	1.2
127.03895	14.5
133.04953	16.3
135.04359	1.3
145.02890	1.2
145.04930	16.8
159.08037	1.6
163.03876	3.8
163.06009	3.7
185.09613	1.3
223.05998	2.9
235.07428	1.3
241.06975	1.5
259.08002	1.2
295.13220	1.9
316.36227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03940	0.9
55.01872	1.1
57.03434	49.8
58.32043	0.7
59.05000	1.6
61.02924	15.6
69.03426	47.0
70.69066	1.7
71.01347	7.8
73.02912	100.0
74.03245	1.1
81.03412	2.3
85.02899	62.9
87.04467	5.8
91.03953	1.7
94.43882	0.8
97.02888	59.0
99.04494	2.2
101.02345	0.8
103.03960	1.3
109.02869	3.2
110.45365	0.9
115.03922	57.8
115.33656	0.9
116.04241	0.9
120.68431	0.9
127.03908	12.1
133.04965	13.7
145.04953	12.2
150.07806	1.2
163.06027	1.9
173.57906	0.9
211.03923	0.9
241.07047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75362	0.6
51.11877	0.7
51.51651	0.6
51.60878	0.6
53.03929	1.8
55.01866	1.6
55.03790	0.6
55.05497	0.8
57.03435	48.4
58.06609	0.8
59.04996	2.1
61.02923	16.3
67.05514	0.8
69.03426	53.1
70.03771	0.6
71.01350	9.5
71.04987	1.5
71.41994	0.7
72.08148	1.1
73.02914	100.0
81.03419	3.7
81.07072	1.7
84.04517	0.8
85.02901	61.3
86.03230	1.1
87.04467	5.0
87.55085	0.7
91.03955	2.4
91.05485	0.8
93.07047	0.9
95.04974	1.9
95.08610	2.1
97.02888	62.8
98.03230	1.1
99.04449	2.1
99.05074	0.7
102.05606	0.8
103.03923	1.1
105.07028	1.8
107.04962	0.8
109.02867	4.0
109.06522	0.7
110.06992	0.6
115.03928	61.2
115.08683	0.8
117.03391	0.6
121.02869	1.1
121.98701	0.6
123.04414	1.2
127.03907	11.7
130.04974	0.7
131.04915	0.7
133.04959	16.7
133.06487	0.9
133.10048	0.7
135.04414	1.3
136.03918	1.4
144.83810	0.8
145.04955	13.7
149.06001	0.7
151.07494	1.8
154.05028	0.9
156.06500	0.8
163.03888	6.5
163.06023	2.1
181.05040	1.5
182.04491	1.0
193.04945	1.2
223.06062	1.5
236.83533	0.7
241.07092	2.8
259.08044	1.3
268.12912	2.8
295.12933	2.9
296.12531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03955	0.9
54.29840	0.6
55.01871	1.5
57.03436	51.1
59.04992	2.2
61.02926	15.7
69.03429	47.9
69.45470	1.3
69.45879	2.2
71.01344	9.0
71.93293	0.6
73.02916	100.0
79.78635	0.7
81.03413	2.6
85.02901	60.2
85.55878	0.6
86.03249	0.9
87.04476	3.0
91.03956	2.3
91.05495	0.7
97.02890	60.9
98.03225	0.7
99.04463	2.4
103.03938	1.0
105.07007	0.8
109.02871	4.4
115.03928	59.3
116.04293	0.9
121.02871	1.1
127.03915	11.3
133.04962	15.2
145.04958	13.7
162.12268	0.8
163.03938	1.1
163.06058	3.0
193.05084	1.1
199.06096	0.9
203.52905	0.7
223.06033	1.4
241.07132	1.6
259.08029	0.9
295.16479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23952	0.5
53.03940	1.2
55.01862	2.1
57.03431	54.2
58.03754	0.8
59.04986	1.9
61.02921	14.0
67.05502	0.9
69.03422	56.9
71.01348	11.1
71.04985	0.9
73.02909	100.0
74.03243	0.8
75.04453	0.5
79.05509	1.1
81.03412	5.6
81.07035	0.9
85.02895	66.3
86.03226	1.0
87.04458	4.6
91.03954	1.6
93.07049	1.2
95.08584	3.1
97.02881	65.0
98.03242	0.8
99.04455	3.1
101.02370	0.7
103.03922	0.9
103.06491	0.6
105.07043	2.6
109.02875	4.5
109.06473	1.0
115.03918	52.9
121.02855	1.4
121.06479	0.5
123.08084	1.0
127.03903	14.8
131.04939	1.5
133.04951	13.9
133.06494	1.2
145.04945	12.7
151.07512	3.6
163.03827	0.6
163.06033	3.5
177.05464	0.5
193.04953	0.8
211.06175	0.6
223.06004	1.3
241.07036	2.7
259.08090	0.8
266.99640	0.6
295.12125	1.4
300.75281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03946	4.3
55.01872	4.8
55.05498	2.8
57.03436	7.5
58.06598	3.3
61.02914	2.0
65.03938	1.4
67.05164	1.1
67.05502	16.5
69.03426	40.5
69.53854	2.5
71.01349	1.9
71.04977	4.1
73.02916	3.1
76.05437	0.6
77.03912	1.5
77.73782	0.6
79.05490	16.4
81.03415	20.8
81.03897	1.0
81.07051	27.7
83.01327	0.9
83.04968	2.1
85.02900	15.5
87.04488	1.6
91.05473	18.1
93.07043	21.9
95.04962	6.1
95.08600	56.8
96.08908	1.0
97.02885	8.9
97.06532	0.7
98.09662	1.3
98.23387	0.7
99.04454	6.9
103.03908	0.7
103.05463	5.1
105.04537	1.1
105.07024	51.9
106.07359	1.1
107.04953	8.4
107.08595	8.2
109.02877	5.2
109.06518	17.9
111.04443	1.9
115.03900	1.6
115.05454	2.7
117.07024	4.4
119.04939	5.4
119.06075	1.0
119.08546	3.2
121.06504	8.0
121.10123	2.7
123.04422	2.0
123.08064	25.8
124.08401	0.7
127.03899	11.3
128.06216	2.3
129.05540	0.7
129.07010	3.1
131.04922	30.7
131.08565	3.1
132.05235	0.5
133.06477	26.2
133.07501	1.3
135.04419	1.1
135.08052	3.5
136.07533	0.7
141.06981	2.4
142.07770	1.3
143.08554	1.3
144.05768	0.8
145.04982	1.6
145.06467	4.2
145.10098	0.6
147.08052	3.3
149.05946	4.1
151.07533	100.0
152.07858	1.4
155.08522	1.4
157.06491	1.3
159.08022	2.5
161.06001	1.7
161.09570	1.5
163.03899	1.7
163.07455	3.7
167.07103	0.9
167.08540	1.4
171.08093	1.2
173.04523	1.1
173.05959	1.5
173.09712	0.8
175.07532	2.5
181.08507	1.0
183.08041	1.3
185.05943	0.7
185.09592	1.5
187.07498	1.9
189.09161	1.4
191.06969	1.0
199.07487	1.1
201.09082	0.9
203.10634	0.6
213.09126	1.2
217.08649	1.5
221.05939	0.9
229.08469	1.1
241.08597	0.8
259.09778	1.3
277.10690	2.9
295.06143	2.3
295.11740	50.4
296.12161	2.8
296.15082	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	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
51.02376	2.0
53.03947	10.7
55.01864	8.3
55.05508	4.1
57.03435	18.6
61.02916	6.4
65.03928	5.1
67.05507	22.0
68.99795	2.2
69.03429	58.8
70.23940	5.9
71.01347	5.1
71.04986	7.1
73.02927	14.3
77.03899	3.0
79.05491	27.7
81.02965	3.4
81.03416	36.4
81.07056	33.7
83.04971	7.5
85.02903	30.8
87.04477	4.4
91.05479	39.8
93.07044	40.3
95.04961	16.3
95.08609	66.6
97.02905	21.0
98.23152	5.2
99.04477	12.5
103.03931	3.6
103.05460	8.5
105.03369	2.5
105.04510	3.0
105.07027	91.7
105.88320	2.4
107.04957	14.2
107.08604	11.4
109.02862	15.5
109.06525	24.1
111.04423	5.3
115.03899	5.9
115.05439	7.2
117.07025	14.7
119.04933	20.2
119.08583	13.0
121.02846	3.5
121.06500	21.2
123.04420	6.8
123.08079	30.1
125.05980	4.6
127.03922	16.0
128.06209	9.7
129.07019	11.2
131.04921	100.0
131.05907	5.1
131.08543	11.7
133.06483	42.8
133.10121	2.8
135.04420	4.2
135.08069	9.1
141.07001	5.6
142.07755	3.2
143.08560	10.1
145.04932	3.5
145.05379	3.3
145.06467	21.3
147.08080	10.7
149.06007	10.5
151.07536	84.5
157.06490	5.5
157.10147	2.8
159.08051	8.6
161.05957	11.3
161.09636	6.1
163.07509	11.2
169.06470	4.3
171.07973	10.3
173.04576	2.8
173.05994	7.5
174.97037	2.4
175.07504	11.6
185.05991	2.3
185.09604	5.9
187.07524	9.6
189.09099	7.1
191.07025	6.3
193.08643	3.8
199.07556	4.9
205.08542	4.8
209.08083	2.5
213.09125	4.7
217.08592	9.1
229.08591	5.7
231.10159	5.0
235.09842	2.8
237.07642	4.5
259.09650	5.3
265.10831	3.5
277.10382	11.0
295.11749	80.6
295.16635	3.2
296.12042	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	295.1327
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
53.98569	0.3
68.26237	0.3
69.53535	0.3
70.13248	0.6
81.07012	0.4
93.35796	0.3
148.82947	0.3
154.07797	0.4
165.06990	1.0
167.08514	0.6
178.07774	2.3
179.08521	3.9
180.09178	0.4
181.06458	0.7
183.08011	0.9
190.07721	0.4
191.08539	4.5
192.09285	3.0
193.10185	1.5
195.08075	0.9
196.08731	0.8
202.07715	0.4
203.08507	0.6
205.06380	0.9
205.10078	1.4
206.07268	3.6
206.10886	12.7
207.08034	7.2
207.11374	0.8
208.08514	0.6
209.09631	0.7
210.10303	0.5
215.08546	0.8
216.09311	2.2
216.71539	0.3
219.08038	4.2
220.08797	5.1
221.09856	1.4
221.13205	7.1
223.07480	1.9
224.08336	0.7
225.08998	0.5
225.12735	1.9
227.06963	1.1
231.11626	2.4
233.09612	1.6
234.06873	2.8
234.10365	12.7
235.07507	10.8
235.10915	1.0
236.07996	0.3
237.09099	0.7
238.06293	0.3
238.09811	0.5
244.08762	0.5
245.09656	0.5
247.07631	1.5
248.08321	4.4
249.09123	2.0
249.12715	32.6
250.13022	1.5
251.07011	3.3
252.07787	18.3
253.08530	3.7
259.11148	1.9
261.09146	1.1
262.09866	15.2
263.10294	0.9
265.08600	4.7
266.09354	11.5
267.09930	0.7
267.13797	0.8
277.12204	44.6
278.12537	1.6
280.10928	8.0
295.13254	100.0
296.13602	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	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.03923	0.2
57.03435	0.5
58.06601	12.1
60.80085	0.2
65.03950	0.4
68.99791	0.3
69.03421	0.8
69.07054	0.6
69.36143	1.1
70.44464	0.2
70.73711	0.2
71.01334	0.2
72.89713	0.2
73.02912	0.5
74.02444	0.7
75.76212	0.2
77.03931	1.1
79.05494	0.4
81.03407	0.3
83.07365	0.5
84.04446	0.3
85.02902	2.4
86.09705	5.2
87.04476	0.5
91.05479	27.0
92.05820	0.3
93.07032	0.4
95.04976	0.5
97.02887	1.0
98.09691	3.2
98.97585	0.3
103.20835	0.2
105.03391	1.6
105.04516	0.2
107.04941	1.1
109.06519	0.5
115.03951	0.3
118.06555	0.9
119.04940	17.7
120.08100	0.5
121.06507	2.7
123.04412	0.7
130.08630	0.9
132.10213	2.1
133.02846	4.2
136.07573	100.0
137.07939	1.9
145.04938	0.4
147.04402	1.3
148.04756	0.5
150.07712	0.4
151.03908	0.3
161.02272	0.4
163.03841	0.6
165.07036	0.3
169.06297	0.2
173.72841	0.2
179.03331	2.0
181.04918	0.2
183.51009	0.2
190.12114	0.2
213.83363	0.2
221.05943	0.9
236.12617	0.2
249.05368	0.5
249.15982	1.0
250.10428	0.2
250.14351	0.5
278.13873	1.2
295.05988	0.6
295.13266	0.5
295.16458	3.9
296.14917	8.6
296.18414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.03931	2.2
55.01874	2.1
55.05492	4.8
57.03429	2.1
65.03941	1.2
67.05493	4.0
69.03419	2.6
69.07063	2.4
69.45126	4.7
79.05503	8.1
81.03416	15.0
81.07046	3.2
83.04962	3.7
83.08611	1.6
91.05482	9.7
93.07014	5.4
95.04971	9.0
95.08592	3.3
98.23477	2.5
98.24328	1.2
103.05470	1.6
105.07021	13.7
107.04948	6.9
107.08578	5.0
109.06490	4.1
109.14598	1.2
115.05462	1.4
117.07002	5.2
119.08600	14.0
121.06508	12.7
121.10122	5.3
128.06261	1.8
129.07005	5.5
129.73216	1.3
131.04945	5.9
131.08548	4.7
133.06505	6.6
133.10124	94.3
134.10464	2.2
135.08046	6.2
135.11665	2.2
142.07750	4.0
143.08574	4.3
144.09299	2.4
145.06500	8.0
145.10150	8.3
147.08067	7.0
147.11684	3.1
149.09630	1.6
152.65199	1.3
153.06992	1.5
155.08549	4.3
156.09296	2.7
157.06462	1.9
157.10136	8.5
158.10857	2.2
159.04388	4.4
159.08022	5.2
159.11732	6.0
161.05914	1.4
161.09592	9.3
163.11122	1.2
165.07008	2.4
166.07802	1.5
167.08521	2.0
168.09361	1.7
169.10100	8.8
170.10858	3.7
171.08049	2.5
171.11696	6.1
173.09634	5.5
173.13281	11.9
175.07486	2.5
175.11223	3.6
178.07829	1.6
179.08537	3.7
181.06447	1.2
181.10086	5.1
182.07236	2.4
183.08032	4.2
183.11671	7.2
184.08942	1.5
185.09567	5.2
185.13295	4.8
186.10242	1.4
187.11157	7.0
191.08577	1.7
192.09334	3.8
193.10075	6.0
194.10910	4.0
195.11649	5.2
196.08798	4.6
197.09602	8.9
197.13206	4.0
198.10280	2.7
199.11169	5.0
201.12747	4.8
205.10074	3.1
206.10938	4.4
207.08037	1.6
207.11725	6.5
208.08760	2.7
208.12431	2.2
209.09631	6.9
209.13211	5.6
210.10361	3.5
211.11189	8.2
211.14891	2.0
213.12753	9.4
219.11708	5.3
220.08832	3.2
220.12398	3.4
221.09599	2.1
221.13222	5.2
222.10341	3.5
223.11148	5.3
223.14841	1.7
224.11926	3.4
224.15610	1.6
225.09073	2.8
225.12694	5.4
227.14328	1.9
232.08931	1.4
233.09647	3.6
234.14046	4.4
235.11121	4.6
235.14680	3.2
236.11856	1.8
237.12782	13.3
238.13419	2.7
239.10851	1.7
239.14354	9.7
239.17795	1.4
244.12376	2.5
247.11226	6.2
248.11870	4.4
249.12810	6.6
249.16420	5.7
251.14294	5.8
252.14948	3.1
253.12270	2.4
253.15840	4.7
259.14838	3.9
262.13510	8.7
265.12167	3.1
266.13107	1.4
267.14368	2.9
267.17413	34.7
272.17099	2.3
277.15836	13.9
277.21677	1.2
280.14496	1.8
290.17972	2.2
295.13354	4.5
295.16885	100.0
296.17206	5.2
296.25580	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.00859	0.6
50.43696	0.7
50.90522	0.6
53.03952	0.8
55.01862	6.6
55.05510	6.5
57.07070	2.0
58.91295	0.7
67.05506	7.6
69.07076	4.3
69.07389	0.8
71.04957	0.7
71.43064	0.6
76.44901	0.8
79.05483	7.2
81.03392	1.4
81.06570	1.8
81.07053	34.8
82.07372	0.9
83.04974	3.1
83.08603	2.2
91.05465	3.1
93.07052	7.0
95.04960	1.9
95.08605	6.3
97.06528	1.9
97.10167	0.9
99.08109	1.1
105.07021	3.6
107.08585	4.7
109.06499	12.8
109.10150	2.4
110.06845	0.9
111.04433	11.4
111.08038	1.3
114.10268	0.8
114.42645	0.7
119.08575	3.2
121.06317	0.6
121.10142	4.2
123.08070	2.0
123.11671	1.9
125.05981	3.5
127.52838	0.7
131.08548	1.5
133.06477	1.8
133.10118	3.5
135.08038	2.1
135.11674	4.0
137.05968	100.0
137.13266	1.6
138.06308	2.0
139.11166	0.9
143.08553	1.0
145.10141	1.2
147.08008	1.0
147.11682	4.3
149.09598	2.5
149.13255	1.2
151.07530	2.3
157.10152	2.2
159.11705	1.8
161.09625	4.4
161.13228	2.0
163.11172	2.1
165.09125	1.9
171.00848	0.8
171.11705	0.9
175.11179	3.4
176.65736	0.8
179.10696	1.1
187.03748	0.8
189.12793	0.8
191.03435	1.2
193.12234	1.0
203.17931	4.3
205.19514	1.0
213.16420	1.5
221.19029	2.2
226.09108	0.7
231.17424	6.7
235.07544	0.7
241.15849	1.3
249.12743	1.0
249.18471	10.8
268.13004	2.2
277.17978	32.3
277.21484	2.4
278.18347	2.5
295.13510	1.4
295.16425	1.4
295.19089	4.1
295.22705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03935	5.6
55.01877	17.3
55.05510	32.7
55.12617	2.2
57.07052	4.3
65.03941	2.9
67.05503	65.3
68.69354	2.2
69.03414	4.4
69.07066	100.0
69.12663	17.1
71.04994	9.7
73.06570	3.2
77.24373	2.2
79.05492	51.4
81.07053	92.0
82.68557	2.4
83.04979	8.4
83.08615	18.2
85.06522	12.3
86.90797	2.1
91.05480	29.2
93.07041	55.8
95.04958	9.1
95.08598	62.0
97.06519	19.2
97.10179	7.8
99.08084	10.5
105.04524	2.9
105.07036	31.6
107.08603	36.7
109.06519	7.9
109.10150	18.3
111.08077	6.8
115.07590	7.7
117.06998	5.8
119.08567	22.5
119.45898	2.6
121.10141	38.9
123.08071	9.5
123.11713	6.7
125.09631	32.4
129.06989	4.6
131.08585	7.1
133.10143	14.4
134.36563	2.7
135.11703	39.5
137.09564	3.3
137.13121	2.6
139.11197	4.5
143.08572	4.8
145.10147	9.9
147.11656	22.4
149.13307	13.8
151.11261	2.2
157.09972	2.4
159.11754	3.7
161.13211	13.0
163.11192	4.5
163.14841	7.9
165.12775	8.0
171.11690	6.9
173.13335	5.3
175.14821	5.0
177.12886	3.1
179.14349	4.0
185.13222	7.3
189.12799	4.1
195.13753	4.0
207.13791	4.1
221.15219	3.5
235.16859	2.5
241.19489	5.1
259.20529	12.2
268.12888	5.3
277.21637	54.6
280.63330	2.4
295.13577	3.4
295.22754	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.63406	3.4
53.03939	4.5
55.01874	11.3
55.05512	29.5
57.03420	4.5
57.07072	12.7
57.34576	3.6
65.03937	3.5
67.05500	75.2
69.07069	27.8
70.60307	3.2
70.67630	5.3
71.05006	5.1
71.08629	55.5
73.06545	3.3
79.05489	55.4
81.03423	11.9
81.07052	77.1
83.04974	18.0
83.08618	16.9
91.05478	35.9
93.07037	88.0
95.04961	15.9
95.08604	52.5
97.06520	13.9
97.10177	10.6
99.08095	39.0
105.07024	21.4
107.04949	9.6
107.08599	41.9
109.06528	5.4
109.10159	21.5
111.08054	3.9
113.09698	4.5
117.07006	8.2
119.08591	25.4
121.10149	53.4
123.11798	3.8
127.11165	4.4
131.08594	5.6
133.10138	15.4
135.11707	66.5
137.09642	7.3
137.13190	4.8
145.10027	4.7
147.11700	5.6
149.13246	23.2
151.11119	18.5
151.14868	5.7
153.12773	3.8
159.11702	4.1
161.13251	13.9
163.11217	8.5
167.14352	4.0
167.96576	3.8
170.52774	4.7
179.14305	100.0
180.14661	4.0
187.77495	3.7
191.03412	8.9
209.00717	3.8
233.22687	14.6
235.17014	4.8
243.21112	6.9
249.12828	3.9
259.20712	8.6
261.22226	7.8
277.21609	37.6
279.23111	8.6
295.13354	5.9
295.23053	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03937	5.1
55.01621	3.0
55.01867	34.1
55.05262	3.5
55.05506	51.0
57.03433	4.3
57.07058	7.2
58.33607	1.9
59.36468	1.9
63.01897	2.0
65.03938	3.4
67.05498	90.1
69.03401	7.3
69.06708	3.6
69.07056	43.8
69.86528	4.6
69.86928	4.7
71.04992	10.2
71.08622	24.3
72.08137	2.9
79.05048	4.3
79.05486	54.7
79.90556	2.3
80.90984	2.3
81.03414	20.9
81.07053	79.8
83.04965	19.3
83.08617	31.2
83.59987	2.2
85.06520	5.8
85.10154	4.0
90.93910	2.1
91.05468	37.7
93.07036	61.8
95.01346	2.2
95.04965	22.1
95.08600	69.4
97.02869	3.0
97.06522	14.9
97.10164	24.8
99.08070	22.4
105.06363	2.2
105.07027	25.1
107.04926	3.0
107.07919	3.4
107.08588	34.1
109.06507	10.2
109.08975	2.1
109.10150	33.5
111.08057	17.9
113.09640	2.7
117.06998	8.8
119.08561	28.4
121.06446	3.8
121.10123	23.4
123.08053	21.1
123.11681	9.9
125.09624	18.5
129.06938	4.1
131.08531	6.6
133.10104	22.2
135.08028	4.3
135.11687	19.5
137.09593	21.0
137.13210	3.7
139.11179	18.8
142.07739	2.2
143.08539	3.3
145.10095	7.3
147.08032	3.8
147.11682	13.5
149.09610	4.9
149.13243	12.6
151.07538	3.0
151.11165	29.0
153.12650	5.2
157.10095	4.5
159.11594	2.7
161.13231	13.6
163.11154	8.5
163.14836	4.2
165.12715	14.7
171.11690	4.3
173.13306	5.0
175.14816	3.0
179.14262	9.4
181.12164	6.2
183.11690	2.5
185.13161	4.0
187.14687	2.8
189.11169	10.6
193.12300	2.6
211.11081	2.7
217.19513	3.3
221.15341	2.7
231.20964	8.0
241.19472	7.7
249.22151	14.2
259.20596	14.7
268.13037	3.7
277.21606	100.0
278.21945	3.8
295.13443	3.7
295.17108	14.1
295.22607	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03944	29.0
54.36609	3.2
55.01863	9.1
55.05511	31.4
57.03422	3.4
57.07064	12.9
67.05163	5.4
67.05502	74.6
69.03426	3.2
69.07070	48.1
71.04980	3.8
71.08627	6.1
79.05500	53.0
81.03416	88.2
81.07059	80.2
83.04971	19.8
83.08614	11.8
85.06529	4.1
91.05479	29.4
93.07040	53.0
95.04965	61.6
95.08597	30.4
97.06552	6.2
97.10156	13.1
99.08111	5.7
105.07018	28.5
107.04993	3.7
107.08590	42.2
109.06515	11.5
109.10169	27.2
111.08084	4.1
113.09697	3.4
119.08592	17.9
121.10142	16.2
123.08047	5.8
123.11691	13.5
124.74753	3.8
125.09618	11.3
129.07007	4.6
131.08556	4.6
133.10132	23.2
133.31306	3.1
135.08028	4.3
135.11691	16.6
137.09659	3.2
137.13292	4.3
145.10118	5.1
147.11667	18.2
149.13243	6.9
151.11174	67.8
153.09067	7.6
161.13216	18.4
163.14828	9.2
165.12782	14.5
171.10320	3.3
171.11713	8.3
175.14871	5.3
177.12579	3.7
177.16431	3.4
179.14355	7.9
191.03313	4.8
207.13820	7.9
231.21162	16.3
241.19504	4.3
242.28154	3.2
249.22087	7.3
259.20584	15.0
268.12988	6.3
277.21631	100.0
278.21985	5.7
295.13205	10.0
295.22595	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.00332	1.3
53.03932	4.3
55.01868	6.4
55.05507	51.2
57.03431	17.5
57.07067	11.6
59.05005	2.4
65.03931	4.6
67.05499	89.5
69.03426	8.9
69.07061	38.1
70.05383	3.3
71.04971	8.7
71.08614	4.7
73.06540	1.6
76.06330	1.2
77.03899	2.7
79.05487	48.6
79.05949	2.6
81.03424	9.8
81.07050	100.0
82.07357	2.2
83.04975	17.2
83.08617	25.7
85.06533	5.1
85.10175	2.1
91.05466	33.4
93.07037	54.7
94.07366	1.7
95.04958	20.4
95.08597	47.4
97.06522	10.3
97.10164	12.5
99.08074	6.5
105.04532	2.6
105.07019	27.1
107.04895	1.7
107.08581	24.3
109.06501	7.2
109.10144	22.1
110.04918	1.6
111.08029	6.7
113.09644	1.7
117.07004	5.2
119.08562	23.4
121.06458	3.0
121.10113	13.6
123.08073	5.8
123.11673	11.8
125.09590	9.9
129.06993	5.8
131.08578	5.8
133.10114	16.3
135.08055	2.7
135.11682	10.3
137.09605	6.6
139.11166	7.7
143.08563	2.3
145.10132	4.3
147.08023	1.5
147.11679	12.1
149.09613	3.3
149.13245	5.6
151.11166	3.8
153.09073	2.7
153.12729	4.8
155.10638	6.6
157.10123	4.5
159.11699	2.3
161.09679	2.1
161.13235	11.0
163.14816	3.9
165.12718	7.4
171.11691	3.7
173.11765	1.5
175.11198	4.3
175.14833	3.3
179.14273	2.9
185.13243	3.0
189.11203	2.0
193.12219	4.9
193.15906	1.5
207.13792	2.9
211.23389	1.6
215.18037	1.7
217.19585	1.8
221.15297	2.0
225.14804	1.5
231.21065	3.7
233.53496	1.5
241.19591	2.0
243.13734	1.4
247.26692	1.3
249.22163	2.1
251.07956	1.5
259.20566	4.7
277.21597	35.2
295.17010	6.1
295.22604	34.8
296.22998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01871	9.1
55.05512	57.5
57.03437	11.5
57.07074	12.8
59.04994	3.0
63.73566	1.1
65.03945	3.3
65.35080	1.2
67.05505	92.9
68.05830	1.9
69.03427	8.1
69.07068	47.9
69.75401	2.7
69.75727	1.3
71.04998	10.4
71.08634	8.0
73.06545	1.9
77.03916	2.8
79.05041	2.8
79.05494	54.1
80.05814	1.4
81.03424	8.2
81.07056	100.0
82.07397	2.0
83.04980	34.6
83.08619	25.3
85.06525	6.7
85.10171	4.4
88.58939	1.2
91.05481	35.2
93.07044	67.0
95.01341	1.8
95.04964	25.3
95.08604	57.2
96.08912	1.5
97.06532	17.6
97.10167	17.5
99.08126	5.9
105.04532	2.7
105.07027	29.3
107.04980	3.1
107.08595	32.5
109.06519	8.6
109.10149	25.7
110.73865	1.2
111.08096	8.5
111.11710	2.1
113.06007	1.6
113.09657	2.6
114.13171	1.4
114.94561	1.3
117.06985	6.7
117.17307	1.3
119.08573	28.2
121.06513	1.9
121.10150	24.2
123.08080	7.0
123.11719	13.9
125.09634	11.4
127.11305	1.2
129.07008	5.1
131.08559	8.4
133.06470	2.2
133.10120	17.8
135.08040	4.9
135.11671	12.6
137.09619	8.8
137.13251	3.6
139.11183	23.2
142.07819	1.6
143.08572	4.2
145.10130	5.2
147.08060	2.3
147.11664	16.2
149.13271	8.9
151.11172	4.8
153.09102	2.3
153.12752	7.6
155.10683	4.2
157.10138	4.9
159.11696	2.4
161.09563	1.9
161.13255	10.6
163.11198	2.3
163.14839	4.5
165.12750	10.7
167.14334	3.5
169.10132	1.4
171.11693	6.6
173.11819	2.7
173.13254	3.3
175.11206	4.6
175.14824	6.0
177.16405	1.7
179.14326	5.3
181.12233	1.9
185.13242	4.1
189.11217	2.0
189.12793	2.4
193.12228	4.9
193.14079	1.4
193.15871	2.1
199.14931	1.8
207.13803	5.7
211.61163	1.4
217.19553	1.9
221.15332	3.2
231.21150	4.1
235.16911	1.5
241.19537	4.5
249.12383	1.3
249.22107	4.3
259.20602	8.0
277.21625	65.8
278.21872	2.1
295.13397	3.8
295.16986	7.4
295.22678	71.5
296.23038	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03953	3.0
55.01871	9.1
55.05512	57.5
57.03437	11.5
57.07074	12.8
59.04994	3.0
63.73566	1.1
65.03945	3.3
65.35080	1.2
67.05505	92.9
68.05830	1.9
69.03427	8.1
69.07068	47.9
69.75401	2.7
69.75727	1.3
71.04998	10.4
71.08634	8.0
73.06545	1.9
77.03916	2.8
79.05041	2.8
79.05494	54.1
80.05814	1.4
81.03424	8.2
81.07056	100.0
82.07397	2.0
83.04980	34.6
83.08619	25.3
85.06525	6.7
85.10171	4.4
88.58939	1.2
91.05481	35.2
93.07044	67.0
95.01341	1.8
95.04964	25.3
95.08604	57.2
96.08912	1.5
97.06532	17.6
97.10167	17.5
99.08126	5.9
105.04532	2.7
105.07027	29.3
107.04980	3.1
107.08595	32.5
109.06519	8.6
109.10149	25.7
110.73865	1.2
111.08096	8.5
111.11710	2.1
113.06007	1.6
113.09657	2.6
114.13171	1.4
114.94561	1.3
117.06985	6.7
117.17307	1.3
119.08573	28.2
121.06513	1.9
121.10150	24.2
123.08080	7.0
123.11719	13.9
125.09634	11.4
127.11305	1.2
129.07008	5.1
131.08559	8.4
133.06470	2.2
133.10120	17.8
135.08040	4.9
135.11671	12.6
137.09619	8.8
137.13251	3.6
139.11183	23.2
142.07819	1.6
143.08572	4.2
145.10130	5.2
147.08060	2.3
147.11664	16.2
149.13271	8.9
151.11172	4.8
153.09102	2.3
153.12752	7.6
155.10683	4.2
157.10138	4.9
159.11696	2.4
161.09563	1.9
161.13255	10.6
163.11198	2.3
163.14839	4.5
165.12750	10.7
167.14334	3.5
169.10132	1.4
171.11693	6.6
173.11819	2.7
173.13254	3.3
175.11206	4.6
175.14824	6.0
177.16405	1.7
179.14326	5.3
181.12233	1.9
185.13242	4.1
189.11217	2.0
189.12793	2.4
193.12228	4.9
193.14079	1.4
193.15871	2.1
199.14931	1.8
207.13803	5.7
211.61163	1.4
217.19553	1.9
221.15332	3.2
231.21150	4.1
235.16911	1.5
241.19537	4.5
249.12383	1.3
249.22107	4.3
259.20602	8.0
277.21625	65.8
278.21872	2.1
295.13397	3.8
295.16986	7.4
295.22678	71.5
296.23038	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	296.1493
Annotation	Pizotyline
Peak:m/z	Relative Intensity
56.05034	0.4
58.06597	100.0
59.06929	0.7
66.41218	0.3
68.65414	0.3
70.61904	0.4
70.62222	0.3
82.06577	0.7
83.07359	3.0
98.09686	23.2
99.10053	0.5
127.18560	0.3
127.69135	0.3
131.99164	0.3
146.47150	0.2
169.62248	0.3
181.04918	1.8
188.65312	0.3
222.15103	0.3
269.30435	0.3
271.10031	0.3
296.14911	68.7
297.15228	2.7
319.96732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1604
Annotation	Butralin
Peak:m/z	Relative Intensity
53.03945	0.4
54.03468	0.4
55.01882	0.3
55.02991	5.9
55.05510	3.3
58.06598	3.2
59.04866	0.4
60.05643	1.2
64.09519	0.3
64.44117	0.3
68.05036	0.7
69.03404	0.3
69.15215	2.4
70.06593	0.9
72.05637	2.6
72.08150	49.0
73.06448	1.2
73.08502	0.4
77.03938	0.4
79.05479	2.9
81.07056	0.8
86.07187	4.9
87.07960	0.9
87.80836	0.3
94.04178	1.3
95.04981	1.1
97.07648	26.7
98.03189	0.4
98.07922	0.4
98.09708	0.7
98.23514	0.8
99.04491	0.6
100.08727	0.8
105.04499	0.7
109.02880	0.6
109.06505	1.7
114.10284	41.0
121.02795	0.3
122.03657	2.2
124.05230	0.4
126.05550	0.7
127.03918	1.0
128.86031	0.4
132.11292	0.4
137.02336	1.4
137.05977	1.1
139.07509	1.2
151.03877	0.5
152.03404	1.0
155.03407	0.8
155.07001	4.6
164.04266	0.7
164.07048	0.9
165.05463	100.0
166.05800	2.3
180.08786	0.4
182.08163	0.5
197.11591	0.4
208.02464	0.5
223.10718	3.3
230.58858	0.5
237.11246	0.5
252.19670	0.4
265.08594	0.9
268.12900	24.5
269.13147	0.7
279.13245	2.0
296.12399	11.5
296.15958	58.6
297.16287	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	296.1645
Annotation	Nuciferine
Peak:m/z	Relative Intensity
58.06586	0.2
66.50918	0.2
67.34709	0.3
71.43054	0.3
72.08150	1.4
75.95211	0.2
75.97898	0.2
77.03903	0.3
77.81889	0.3
79.05487	11.9
80.05846	0.3
81.07036	0.3
86.07156	0.4
87.04445	0.4
91.05478	0.5
92.92757	0.2
93.07030	1.3
95.04973	1.1
97.07661	0.6
103.05460	26.6
104.05750	0.4
105.04502	0.4
105.07021	1.9
107.04945	15.7
114.10263	1.0
121.06493	1.0
131.04915	7.6
132.05319	0.3
132.08101	0.9
133.08879	1.8
146.09625	0.6
148.11195	46.2
149.05956	0.4
149.11568	1.2
160.11227	0.5
161.11983	1.7
163.04103	0.3
164.04282	0.3
165.05446	0.5
189.06584	0.3
192.02937	0.3
205.11009	1.4
221.54958	0.3
223.10797	0.3
243.13829	0.2
265.08560	0.3
268.12933	1.7
296.16412	100.0
297.11429	0.3
297.16760	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	296.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	100.0
59.06950	1.1
61.02916	0.9
70.06585	0.9
70.15504	1.9
70.82123	0.7
71.04987	9.9
81.07086	0.9
82.99141	1.0
83.07365	3.4
84.04501	8.3
84.07630	0.9
85.02928	2.2
85.04848	2.8
87.04469	4.2
93.59726	0.8
95.96747	0.8
98.09686	22.8
99.08079	11.1
104.05775	1.8
108.08122	0.7
117.09122	24.9
120.08105	13.8
121.08444	15.0
121.09877	0.7
127.03972	0.9
136.07693	0.9
148.11238	0.9
166.08694	5.8
166.12317	2.8
167.08958	5.5
171.29272	0.9
181.04979	1.8
194.11819	1.3
232.13412	1.9
233.10063	1.7
240.72179	0.9
252.15939	4.8
279.10599	1.6
296.15015	73.4
296.18564	14.9
297.15363	3.9
297.18433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.05516	1.5
57.03423	1.0
57.07072	1.3
67.05508	1.5
69.07069	2.0
70.07217	0.9
71.08656	0.2
79.05467	0.8
81.07066	1.7
82.07343	0.3
83.04992	0.6
83.08612	1.3
93.07040	0.8
95.08603	1.0
97.06534	0.9
97.10164	0.4
98.97581	0.7
107.08578	1.0
109.10152	0.6
121.10120	1.0
123.11726	0.6
129.05472	0.7
135.11679	0.6
143.04906	0.4
154.36871	0.3
165.07042	0.5
165.51163	0.2
166.07796	0.8
167.08536	0.9
169.10187	0.6
178.07785	0.4
179.08540	1.1
180.09326	0.5
181.06462	0.6
181.10114	2.3
183.08009	0.7
185.09621	0.8
190.07878	0.3
191.08485	1.0
193.06467	0.4
193.10114	2.3
194.07271	0.3
194.10858	0.9
195.08069	1.0
195.11668	0.7
196.44751	0.3
197.05920	0.6
197.09569	1.8
199.07634	0.3
203.08504	0.7
205.10146	0.3
205.19460	0.6
207.08020	1.5
207.11731	0.4
208.08910	1.3
208.12465	1.7
209.09596	3.8
209.13158	0.7
211.07462	1.2
218.10852	0.6
219.08020	0.5
221.05997	1.3
221.09578	2.3
222.10339	2.3
223.11143	1.2
223.14642	1.7
225.09055	0.9
226.06215	0.3
226.09877	0.3
227.07124	1.5
227.14323	0.5
233.13255	1.1
235.07521	1.9
236.08365	1.4
236.11882	2.4
237.09081	3.3
237.12636	1.5
238.09848	0.8
239.07080	3.3
239.10754	0.8
240.07814	0.5
241.08551	0.8
246.10371	0.3
249.09138	2.9
250.09772	1.8
251.10271	0.6
251.14311	18.6
252.14603	1.0
253.08617	2.3
254.09369	16.8
255.10020	1.8
261.12753	1.0
263.10754	0.4
264.11444	3.1
267.10196	4.2
268.10922	8.1
269.11450	0.6
269.15436	0.7
274.97446	0.9
279.13797	14.0
280.13980	0.6
282.12485	9.9
283.12827	0.4
292.98587	0.5
297.14835	100.0
297.23840	2.2
298.15176	5.4
307.51648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1849
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03941	1.0
55.01855	2.1
55.05497	4.2
57.03428	1.9
57.07064	1.4
67.05499	7.4
69.03438	1.9
69.07059	4.1
69.10226	6.1
69.42882	0.8
70.06556	1.0
71.05009	1.5
72.08154	5.1
73.06502	0.8
75.83614	0.8
79.05492	5.7
81.03423	5.0
81.07052	7.8
83.04966	2.2
90.03421	1.0
90.90268	0.9
91.05457	5.7
93.07039	13.0
95.04970	8.2
95.08614	5.7
95.78617	1.0
97.02892	1.9
97.06511	1.2
97.07653	1.5
98.97575	7.7
99.04448	1.0
105.07031	6.5
107.04973	2.2
107.08583	5.0
109.06523	2.6
109.10168	2.4
111.04448	4.3
111.08072	2.2
114.10276	3.8
115.05466	1.1
116.98584	4.9
117.07008	2.2
119.08569	15.0
121.06499	4.0
121.10149	3.9
123.08045	1.8
125.05989	3.0
128.06239	2.2
129.07016	3.7
131.04915	1.7
131.08553	4.8
132.11287	1.2
133.06479	1.2
133.10121	7.1
134.34941	1.0
134.99632	2.9
135.08072	2.9
135.11659	1.0
136.06177	1.8
139.07518	9.2
142.07779	2.2
143.08562	5.1
144.09338	2.1
144.94177	1.2
145.06453	2.3
145.10127	13.0
146.10504	1.1
147.08073	1.6
147.11647	1.2
149.09613	2.4
151.07527	2.4
153.09123	3.0
155.08528	4.0
156.09337	5.0
157.10147	9.8
158.10840	1.0
159.08061	1.8
159.11685	13.4
161.09621	1.4
163.11172	1.5
165.06953	2.0
167.03404	6.6
167.08543	3.4
168.09389	1.1
169.10100	4.7
170.10938	3.3
171.08153	2.9
171.11688	12.3
172.12421	1.7
173.09613	1.3
173.13277	6.5
179.08559	3.9
180.09294	2.0
181.10089	4.7
183.08032	2.8
183.11678	5.4
184.08817	1.4
185.09596	6.8
185.13225	7.1
186.14049	1.0
187.11200	2.6
187.14787	4.7
189.12729	1.5
193.10141	3.3
194.10878	3.3
195.07962	1.2
195.11674	9.0
196.12415	1.9
197.09639	4.1
197.13240	4.4
199.11127	5.8
199.14790	4.3
200.15623	1.1
201.12769	1.1
203.14214	1.1
206.10985	1.4
207.08327	1.0
207.11746	2.6
208.12462	2.1
209.09708	2.0
209.13211	6.9
210.13861	1.7
211.11186	4.1
211.14816	3.2
212.11818	2.1
213.12718	5.1
213.16412	3.8
215.14348	1.4
219.13795	1.4
220.12538	2.2
221.09599	2.2
221.13234	3.5
222.10344	1.6
223.11177	3.3
223.14771	3.5
225.12662	6.1
225.16417	2.5
226.13339	1.3
227.10693	1.8
227.14351	1.7
235.11148	2.7
235.14731	3.0
236.11990	1.9
236.15524	1.5
237.09142	2.0
237.12704	2.9
237.16548	1.9
239.14247	3.7
241.12241	5.6
241.15889	11.0
249.12585	1.9
249.16551	1.1
250.13408	1.3
251.14320	3.9
251.17964	7.8
251.20349	1.3
253.12267	4.0
253.15862	5.5
253.19777	2.3
254.12901	4.5
254.16721	1.2
255.13814	9.5
255.17375	1.4
256.96500	1.5
261.16461	1.4
265.08578	2.9
268.14600	3.9
268.18149	1.4
269.13034	2.2
269.15848	1.2
269.18951	5.1
274.97461	6.8
275.06650	1.0
279.17426	9.5
292.98584	4.6
297.11349	3.6
297.18472	100.0
298.13983	7.2
298.18851	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	297.1847
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
51.02399	1.0
53.03917	2.4
55.01847	2.5
55.05503	3.9
55.90391	0.9
57.03188	1.0
57.03434	7.3
57.07063	1.3
65.03931	1.6
67.05505	11.3
69.03429	2.8
69.07055	2.9
71.23613	1.7
73.23685	1.0
77.03932	1.1
79.05486	9.0
81.02964	1.8
81.03415	30.0
81.07052	8.2
91.05478	9.8
93.07035	9.1
95.04966	37.6
95.08594	7.6
97.06518	1.1
98.97579	4.1
103.05458	3.3
105.07028	16.0
107.04941	4.6
107.08599	8.2
109.06525	16.0
109.10143	3.9
111.08029	1.8
115.05457	2.3
116.98596	1.0
117.07006	3.9
119.04889	1.1
119.08572	15.8
121.06496	14.6
121.10147	7.6
123.04416	3.1
123.08057	6.1
128.06200	2.7
129.06996	5.5
131.04918	3.8
131.08580	8.8
133.06483	11.3
133.10124	6.9
135.08044	9.2
135.11667	2.3
137.09705	1.4
141.07001	2.4
142.07794	4.0
143.08586	5.7
144.09383	2.2
145.06480	20.5
145.10135	10.8
147.08067	7.2
147.11697	4.4
149.09642	3.4
151.11110	1.5
153.06970	2.3
154.07808	1.7
155.08540	4.5
156.09331	4.6
157.06551	1.7
157.10126	10.3
158.07310	1.2
158.10892	1.2
159.08055	6.3
159.11679	11.6
160.08794	1.3
161.05965	30.9
161.09581	8.1
161.13225	1.5
163.11220	2.7
165.06981	2.7
165.12811	1.3
166.07774	1.7
167.08528	3.5
168.09384	2.3
169.06366	1.2
169.10146	6.2
171.08047	4.2
171.11710	8.3
172.08743	1.1
173.09641	7.2
173.13268	9.8
175.11163	7.3
175.14754	6.6
177.09157	1.8
177.12718	3.8
179.08586	2.8
180.09300	2.6
181.06447	1.3
181.10065	6.7
182.10851	2.6
183.08031	4.0
183.11694	4.2
184.08821	1.8
185.09583	7.2
185.13245	3.1
186.10349	1.7
187.11153	5.2
187.14862	1.6
189.12767	6.2
193.10187	3.5
194.10930	1.6
195.08092	2.3
195.11679	7.6
196.12335	2.1
197.09615	7.1
197.13234	7.0
198.10448	1.7
199.11140	6.7
199.14734	2.0
200.12006	1.6
201.09073	1.9
201.12732	3.9
202.13531	2.2
203.14249	3.6
205.10133	1.2
207.11728	3.6
209.09593	4.3
209.13298	5.2
210.10350	1.6
211.11165	6.2
211.14821	4.9
212.11818	2.1
213.12700	6.7
213.16307	2.2
215.10689	2.3
215.14297	5.2
221.13258	4.4
223.11147	4.7
223.14798	3.6
224.11905	1.5
225.12744	6.7
226.13297	1.2
227.10664	2.4
227.14221	2.0
231.11679	1.6
235.11072	1.4
235.14893	2.5
237.12727	4.5
237.16339	1.9
239.14299	9.6
240.14931	2.1
241.12236	2.2
241.15903	6.6
249.12700	2.2
250.13481	3.5
251.14235	2.1
251.18022	2.5
253.15895	3.8
254.13091	1.8
254.16655	3.7
255.13670	2.0
255.17430	3.8
261.16452	1.7
264.15179	2.0
267.13705	2.2
269.16052	1.4
269.19025	11.4
274.97537	2.7
279.17419	16.5
282.16141	2.8
292.98563	1.6
296.25595	3.6
297.18478	100.0
297.25690	9.7
298.18936	4.9
316.16791	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	297.1848
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
51.76516	0.9
53.03944	2.0
55.01857	2.6
55.05496	4.9
57.03432	5.0
57.17624	0.9
57.43487	1.0
62.28447	0.9
65.03949	1.5
67.05493	9.4
69.03422	1.3
69.07059	4.8
69.81021	3.6
77.03941	1.1
79.05500	5.7
79.05880	0.9
81.03415	31.6
81.07059	7.5
83.04955	2.6
83.08614	2.2
91.05457	8.0
93.07053	7.2
95.04961	34.2
95.08608	6.2
97.06532	1.4
98.22746	1.5
105.07025	11.5
105.76119	0.9
107.04938	2.9
107.08575	7.6
109.06499	11.1
109.10158	5.3
111.08050	2.4
115.05444	1.7
117.07033	3.8
119.08562	17.0
121.06493	11.6
121.10112	4.8
123.04420	3.3
123.08019	5.1
123.11703	1.7
128.06236	1.8
129.06972	3.3
130.07797	2.0
131.04922	4.4
131.08574	7.6
133.06482	4.4
133.10101	7.8
135.08051	7.5
135.11661	3.0
137.09610	1.9
141.07005	3.1
142.07776	2.7
143.08548	7.4
144.09250	1.2
145.06483	16.1
145.10126	7.1
147.08032	7.9
147.11656	2.8
149.09625	3.7
155.08556	5.6
156.09305	3.0
157.06473	2.8
157.10139	9.2
158.10907	1.5
159.08055	7.2
159.11667	6.8
161.05971	3.8
161.09602	9.8
161.13252	2.1
163.11148	3.6
165.06990	2.7
166.07755	1.3
167.08543	3.8
169.06459	1.8
169.10097	6.4
170.10802	1.4
171.08009	4.0
171.11671	6.3
173.09610	6.4
173.13228	8.3
174.10294	1.0
175.11195	4.3
175.14799	13.9
177.12823	1.5
179.08577	2.1
180.09369	1.7
181.10109	5.9
182.10818	2.0
183.08025	3.2
183.11601	4.5
184.08818	1.3
185.09584	9.1
185.13234	3.6
186.10294	1.7
187.07532	1.7
187.11176	7.1
187.14821	4.1
189.12727	5.1
193.10132	3.6
194.10934	1.7
195.08110	2.3
195.11636	6.0
196.08818	1.4
196.12460	1.5
197.09612	4.1
197.13234	6.4
198.10397	1.2
199.11182	12.1
199.14792	1.4
201.12764	2.6
202.13507	2.1
203.14317	3.5
206.10852	1.6
207.11629	3.5
208.08754	1.0
208.12411	1.2
209.09639	3.6
209.13252	4.7
211.11201	5.0
211.14792	3.1
213.09077	1.6
213.12682	7.2
213.16386	2.0
215.10681	2.1
215.14293	6.6
216.09221	1.0
221.09596	2.0
221.13252	3.7
222.14085	1.4
223.11247	4.7
223.14825	2.6
224.11902	1.7
225.12782	7.6
225.16345	1.4
226.13528	1.2
227.10594	3.1
227.14198	2.2
228.11421	2.0
235.11227	2.0
235.14839	2.1
236.11815	1.5
237.12749	3.7
239.14259	9.2
240.14955	2.9
241.12144	2.7
241.15897	8.1
250.13428	1.9
251.14351	1.1
251.17924	3.7
253.15875	2.4
254.12872	1.0
254.16618	3.4
255.13721	3.2
255.17375	3.2
261.16391	2.0
264.15091	3.2
267.13889	1.1
269.15826	1.9
269.18985	30.3
270.19370	1.3
279.17389	14.5
282.16125	1.2
296.98398	1.0
297.18469	100.0
298.18857	3.8
299.04996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.185
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03935	1.6
55.01858	2.7
55.05512	6.2
57.03436	7.5
57.07079	0.8
59.04991	0.9
65.03940	2.2
67.05506	12.9
69.03425	1.5
69.07059	5.4
69.30297	3.6
75.27187	0.6
77.03914	0.9
79.05496	6.9
81.03418	39.3
81.07053	9.6
82.02978	0.5
82.03725	0.6
83.04961	2.8
83.08625	2.4
91.05475	9.3
93.07049	8.5
95.04968	29.2
95.08604	10.0
96.05299	0.8
97.06526	1.8
97.10152	1.0
97.68742	0.6
98.97582	3.2
103.05461	0.8
105.04550	0.8
105.07030	13.6
107.04979	3.6
107.08595	7.8
109.06518	19.9
109.10156	3.4
111.01856	0.5
111.08067	1.2
115.05466	1.7
116.98615	2.3
117.07021	6.1
119.08580	22.8
119.09425	1.3
121.06509	14.0
121.10133	5.9
123.04436	1.8
123.08071	7.7
123.11676	2.0
128.06274	2.8
129.07002	6.4
130.07761	1.5
131.04935	4.0
131.08560	8.6
133.06505	6.5
133.10118	10.3
134.99634	0.8
135.08055	8.2
135.11697	3.3
137.05951	1.6
137.09593	2.3
137.13162	0.7
141.06956	3.1
142.07773	4.5
143.08560	7.6
144.09340	3.3
145.06483	22.5
145.10106	10.1
147.08037	6.8
147.11716	4.9
149.09644	3.3
149.13242	0.6
151.07527	1.2
151.11113	1.2
153.06969	2.2
154.07729	0.9
155.08585	5.5
156.09308	6.3
157.06508	1.9
157.10121	13.1
158.10907	0.9
159.08034	7.1
159.11694	12.3
161.05994	2.2
161.09618	7.4
161.13239	2.1
163.11160	4.2
165.07027	2.4
165.12694	2.0
166.07799	1.4
167.08533	4.8
168.09370	1.1
169.06343	1.3
169.10127	7.0
170.07278	1.5
170.10864	3.1
171.08063	6.7
171.11693	15.0
172.08803	1.3
172.12277	0.8
173.09616	5.8
173.13266	7.5
174.10382	0.8
175.07591	2.2
175.11195	6.0
175.14821	7.2
177.12701	1.4
178.07703	1.2
179.08559	3.4
180.09334	2.2
181.10121	5.7
182.07310	0.8
182.10953	5.8
183.08063	4.8
183.11659	4.1
184.08818	1.8
184.12376	0.7
185.09630	8.9
185.13252	8.3
186.10320	2.2
187.07603	0.8
187.11163	5.1
187.14777	3.6
188.15558	0.6
189.09116	1.5
189.12740	9.9
191.10727	0.7
192.09334	0.8
193.10139	2.5
194.10939	1.7
195.08058	2.1
195.11697	6.7
196.08846	0.9
196.12466	1.2
197.09644	4.8
197.13255	24.0
198.10408	1.8
198.13675	1.1
199.11172	9.2
199.14807	3.2
200.11880	1.9
201.09125	1.1
201.12726	3.1
202.13562	1.2
203.10677	1.1
203.14305	6.6
206.10826	0.9
207.08191	0.8
207.11723	3.2
208.12518	1.8
209.09624	3.6
209.13223	4.2
210.10352	2.4
211.11145	4.8
211.14836	4.3
212.11917	1.7
213.09154	1.9
213.12769	5.5
213.16405	2.2
215.10696	1.4
215.14293	7.7
218.10956	0.9
220.12431	1.2
221.13187	3.7
222.10413	1.1
222.14000	0.9
223.11211	4.3
223.14722	3.7
224.11856	1.5
225.12740	8.7
225.16367	1.2
226.13466	2.1
227.10649	2.7
227.14163	3.0
228.11415	0.9
229.15915	1.0
231.11801	1.6
233.13181	0.7
235.11212	2.3
235.14801	2.1
236.11880	1.4
236.15549	1.4
237.12747	4.2
237.16306	1.5
239.10608	1.2
239.14281	11.0
240.15065	3.4
241.12184	2.3
241.15880	10.4
241.19470	0.9
246.14214	1.4
249.12775	2.2
250.13484	2.0
251.14328	1.3
251.17941	3.3
253.15988	3.2
254.13036	1.4
254.16580	4.0
255.13820	2.7
255.17459	3.8
261.16367	2.6
264.15091	2.3
267.13718	2.9
269.15793	1.1
269.18982	17.6
270.19302	1.6
274.97452	2.8
279.17441	16.7
280.17703	1.0
280.26245	1.7
282.16190	3.2
292.98642	1.4
297.18484	100.0
298.18835	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	297.1849
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03933	1.4
55.01862	1.4
55.05503	4.3
57.03421	5.5
65.03931	1.4
67.05504	9.7
69.03420	2.5
69.07063	2.7
69.46376	1.7
69.46788	3.4
78.83085	1.0
79.05477	6.0
81.03414	22.5
81.07059	5.8
83.04979	2.7
91.05484	8.8
93.07037	9.1
95.04959	25.6
95.08604	7.6
97.06524	2.1
98.97606	1.9
105.07032	12.3
107.04958	3.9
107.08581	9.3
109.06505	13.2
109.10153	3.6
111.08082	2.2
115.05456	1.1
116.98621	1.4
117.06992	3.3
119.04989	1.3
119.08572	13.0
121.06506	9.3
121.10143	4.8
123.04414	1.3
123.08083	5.4
123.11745	1.2
128.06215	2.3
129.07007	3.1
131.04919	3.0
131.08557	5.3
133.06514	5.3
133.10132	7.3
135.08041	11.3
135.11665	4.1
137.05963	1.4
137.09587	2.9
141.06987	1.6
142.07767	2.1
143.08551	5.5
144.09299	1.6
145.06483	24.2
145.10132	9.5
147.08051	8.6
147.11682	4.5
149.09613	4.2
151.11229	1.2
153.06955	1.2
155.08556	3.6
156.09335	4.2
157.10118	7.6
159.04369	1.6
159.08087	6.2
159.11681	7.9
161.05951	3.6
161.09598	7.7
161.13271	2.5
162.18057	1.1
163.11168	4.6
165.07024	1.3
166.07860	1.1
167.08549	2.7
168.09457	1.3
169.10150	5.9
170.10873	2.1
171.08041	4.7
171.11676	9.5
172.08795	1.6
173.09669	7.5
173.13213	5.5
175.11194	5.0
175.14804	9.8
179.08627	1.7
180.09335	2.8
181.10095	6.3
182.10973	1.3
183.08046	3.4
183.11673	3.0
184.08910	1.2
185.09634	6.6
185.13252	4.2
187.11185	5.0
187.14825	4.6
189.12718	13.0
192.09476	1.2
193.10144	3.0
194.10884	2.2
195.08249	1.6
195.11705	6.4
196.08830	2.1
196.12462	1.2
197.09541	3.4
197.13260	4.9
199.11121	8.8
199.14929	1.5
200.11897	2.0
201.12714	3.4
203.11157	1.1
203.14355	4.2
205.10020	1.1
207.11678	2.1
209.09657	2.5
209.13300	4.6
210.10286	1.2
211.11154	5.5
211.14801	3.2
213.09073	1.3
213.12662	5.6
213.16214	1.1
215.10741	2.1
215.14268	7.4
221.09618	2.4
221.13205	3.1
222.10292	1.9
223.11168	3.5
223.14803	2.7
225.12773	5.5
225.16420	1.5
227.10722	3.5
227.14352	3.1
227.17772	1.3
228.11400	2.2
235.11191	2.3
235.14690	1.6
237.12700	4.6
237.16351	1.7
239.14282	7.2
240.15025	1.5
241.12230	2.2
241.15768	6.7
246.13979	1.8
250.13576	2.7
251.14241	1.5
251.17918	4.8
253.15839	4.1
254.16592	1.4
255.13857	2.4
255.17491	3.3
261.16425	1.6
264.15121	3.3
269.15717	2.1
269.18970	22.7
274.97571	1.6
279.17447	13.8
282.16232	2.7
297.18472	100.0
298.18771	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	297.1851
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	3.6
55.05518	4.7
56.96557	0.8
57.03431	7.9
57.10609	0.7
63.06311	0.7
65.03935	1.4
67.05505	10.4
69.03412	2.9
69.07069	5.0
69.30346	3.4
72.08118	0.8
74.76479	0.7
79.05487	10.3
81.02960	1.2
81.03417	21.1
81.07058	8.7
83.04969	2.4
83.08612	1.6
91.05482	9.0
93.07047	7.1
95.04965	21.2
95.08608	9.6
98.97578	5.2
99.08009	1.0
103.05460	1.7
105.04546	1.0
105.07027	17.3
107.04957	5.6
107.08590	7.6
109.06519	16.9
109.10168	4.1
115.05421	2.1
116.98602	2.7
117.07005	4.8
119.08575	16.5
119.09401	1.2
121.05616	0.9
121.06506	16.0
121.10145	5.4
123.04416	1.8
123.08067	8.0
123.11686	1.3
128.06216	2.5
129.07007	5.3
131.04924	4.5
131.08594	9.0
133.06506	12.0
133.10130	6.6
134.99617	1.5
135.08049	9.6
135.11653	2.3
136.45984	0.8
137.09587	2.1
141.06975	2.5
142.07767	3.2
143.08548	7.2
144.09360	2.9
145.06483	20.2
145.10118	7.8
147.08044	7.4
147.11647	3.8
149.09575	3.0
149.13228	0.9
151.07506	1.1
151.11183	1.5
153.07019	1.2
155.08540	4.7
156.09319	3.9
157.06464	1.2
157.10139	11.3
158.07129	0.9
158.10884	1.4
159.08075	7.3
159.11681	9.7
160.08743	0.8
161.05975	28.2
161.09595	8.1
161.13268	2.1
162.06213	1.1
163.11166	2.7
165.07007	3.4
165.12744	1.0
166.07759	1.7
167.08539	3.2
168.09384	1.3
169.06488	1.4
169.10136	7.1
170.10872	2.3
171.08044	4.1
171.11708	9.6
172.08740	1.2
173.09651	6.4
173.13246	6.0
175.07616	1.8
175.11188	8.0
175.14824	4.2
177.09125	1.1
177.12715	3.3
179.08589	2.2
180.09323	1.8
181.10106	6.7
182.07262	0.9
182.10904	2.9
183.08046	4.8
183.11664	4.0
184.08810	1.3
185.09569	7.4
185.13208	5.8
186.10399	1.7
187.07556	1.1
187.11137	5.7
187.14781	1.8
189.09033	1.6
189.12704	7.1
191.08568	1.3
192.09273	1.2
193.10150	2.5
194.10889	2.1
195.08015	1.7
195.11752	6.9
196.08821	0.8
196.12399	2.2
197.09596	4.4
197.13251	15.6
198.10344	2.2
199.11201	7.3
199.14821	3.2
201.09114	1.3
201.12762	3.6
202.13538	2.4
203.10623	2.1
203.14287	6.5
206.10852	1.3
207.11658	4.2
208.08849	1.2
208.12498	1.5
209.09668	3.8
209.13152	4.0
210.10191	2.0
211.11177	4.7
211.14774	4.0
212.11885	1.1
212.15347	0.8
213.09061	1.8
213.12769	5.6
213.16331	2.4
215.10629	2.4
215.14326	5.6
220.12512	1.0
221.13376	3.8
222.10307	1.2
223.11188	5.3
223.14653	3.7
224.11946	2.0
225.12703	8.2
226.13483	1.2
227.10677	3.4
227.14227	2.4
229.12079	0.9
231.11783	0.8
235.11258	1.7
235.14809	2.0
236.15640	0.8
237.12685	4.2
237.16339	1.8
239.10683	1.2
239.14296	10.0
240.15024	2.7
241.12114	2.6
241.15862	10.7
249.12685	1.2
250.13553	1.4
251.14333	1.6
251.18022	3.9
253.15874	2.8
254.12996	1.9
254.16626	2.4
255.13768	2.9
255.17415	3.7
261.16409	1.1
264.15088	2.2
267.13904	4.0
269.15726	1.3
269.18979	12.2
274.97440	2.8
279.17441	13.3
280.26358	3.4
282.16101	3.0
292.98566	1.8
297.18478	100.0
298.18723	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03925	3.1
55.01860	12.2
55.05262	4.1
55.05509	60.5
56.05841	2.6
57.03438	45.4
57.06816	4.3
57.07076	47.0
58.07424	2.9
59.04992	2.7
63.54843	2.6
65.74125	2.8
67.05501	61.5
69.06712	5.3
69.07067	75.1
71.04989	3.3
71.08630	25.0
72.08937	5.9
75.92375	2.5
79.05489	40.9
81.06628	3.9
81.07062	53.0
81.87387	2.9
82.86594	2.7
83.04973	3.4
83.08620	57.8
85.06522	5.1
85.10163	4.8
91.05503	4.8
93.07030	42.7
95.08613	42.8
97.06538	39.0
97.10168	21.8
98.97570	6.6
105.06976	3.4
107.08595	29.9
109.10161	30.2
111.08072	10.0
111.11636	4.0
116.98679	5.2
121.10143	56.2
121.84142	2.5
122.10445	3.6
123.11718	20.1
125.09525	3.0
127.11203	6.3
129.05482	31.0
129.62003	2.8
135.11685	33.2
137.13219	5.4
139.11093	3.6
141.12785	14.2
142.13089	8.0
149.13239	12.2
163.14854	4.5
167.03487	4.0
171.44511	2.6
205.19496	36.7
223.20511	13.1
251.14244	3.7
251.19145	2.6
274.97607	5.1
279.23227	4.3
280.23492	10.8
292.98505	3.2
297.14719	9.3
297.21017	5.5
297.24210	100.0
298.13849	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01148	5.9
68.97448	0.2
69.03428	0.4
70.61657	0.4
75.02702	2.7
77.98296	0.2
94.04009	0.2
97.02869	1.9
103.02159	0.4
119.03580	0.7
136.06178	100.0
137.04564	0.4
137.06538	1.0
137.09645	0.2
137.90190	0.2
140.68614	0.2
145.03157	1.5
163.04266	1.1
163.98752	0.2
197.34402	0.2
212.99197	0.3
274.67664	0.2
298.09644	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	298.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02749	0.6
55.02992	8.2
55.05511	4.6
56.96554	0.5
57.03425	0.5
60.05648	2.7
65.03913	1.1
69.07025	0.5
70.06572	1.4
72.05630	3.6
72.08151	57.4
73.06544	3.8
73.08478	0.5
79.05463	0.7
79.39648	0.5
81.03403	0.5
81.07045	0.6
83.04956	1.2
86.07183	0.6
90.09190	3.4
91.05464	0.6
93.07027	0.6
95.04988	0.6
95.08592	0.6
97.07647	32.7
98.07930	0.6
98.97575	2.0
107.08555	0.5
109.02835	1.2
111.04399	0.5
112.66622	0.4
114.10284	38.5
115.08707	2.3
116.98611	1.4
119.08504	0.8
125.02374	0.8
132.10324	0.9
132.11319	15.9
133.10107	1.3
134.99631	0.5
136.06241	2.5
157.04951	8.1
167.03384	100.0
168.03751	1.9
170.47513	0.5
239.09201	1.3
254.17488	1.0
270.13440	1.7
274.97440	2.2
281.11191	2.9
292.98618	1.4
298.13953	93.0
299.14362	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	298.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.02736	0.5
55.02993	6.6
55.05268	0.3
55.05511	4.4
56.05058	0.3
57.03428	0.4
58.06593	0.6
60.05648	3.1
61.01149	2.2
65.03948	1.4
67.05502	0.3
68.05022	0.8
69.03408	0.3
69.19059	1.0
69.19462	0.6
70.06584	0.5
72.05635	2.7
72.08152	52.1
73.06548	2.8
73.08472	0.4
75.02704	0.7
79.05498	0.3
81.03391	0.7
83.04974	0.5
86.09688	1.2
90.03296	0.3
90.09201	2.7
95.08636	0.3
96.02054	0.4
96.08125	0.3
97.02889	0.7
97.07649	31.5
98.07957	0.3
98.97585	0.6
109.02876	0.8
111.04396	0.4
114.10286	39.3
114.46712	0.3
115.08678	2.7
115.10612	0.4
116.98617	0.6
119.03539	0.3
120.80493	0.3
125.02333	0.9
126.03144	0.8
128.00746	0.5
132.11322	15.9
133.11600	0.3
136.06180	31.3
137.06554	0.3
137.09666	0.3
139.03867	0.4
141.05447	0.8
145.03166	0.6
151.03879	2.8
157.04959	8.0
163.04233	0.4
167.03384	94.4
168.03754	1.8
173.08188	0.5
181.08583	0.3
184.05896	0.3
194.15384	0.6
197.04530	0.4
199.09633	0.3
211.05623	0.3
226.10663	0.4
239.09160	0.5
252.08261	0.7
274.97354	0.8
280.18921	0.3
281.11310	3.7
292.98441	0.6
298.13956	100.0
299.09445	0.3
299.10663	0.3
299.14206	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	298.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02994	5.8
55.05510	4.1
58.13751	0.4
60.05651	2.4
65.03922	1.3
69.59736	1.7
71.01342	0.5
72.05647	3.2
72.08151	54.1
73.06548	2.6
73.08474	0.6
78.02517	0.4
81.03367	0.4
83.04949	0.4
90.09196	2.6
97.07648	31.1
98.07951	0.7
98.23372	1.0
98.97553	1.6
114.10284	37.0
115.08713	2.1
115.10629	0.6
116.11811	0.4
116.98621	1.0
125.02355	0.7
126.03112	0.5
132.11316	18.0
136.06161	1.1
141.05472	0.9
157.04982	7.4
167.03383	93.7
168.03682	1.6
181.61076	0.4
197.04346	0.5
216.21217	0.5
239.09207	1.1
244.66254	0.4
270.13123	0.7
274.97412	1.6
281.11285	2.9
292.98419	1.4
298.13956	100.0
299.14343	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	298.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
55.05506	12.2
56.96551	13.8
57.03426	4.5
61.01149	5.1
61.02922	12.5
65.03948	4.3
69.03424	17.0
70.06598	9.2
71.04984	6.1
71.42548	4.0
72.08150	7.6
73.06545	36.4
81.04536	4.2
81.07071	5.3
83.04985	8.1
84.08131	6.8
85.02905	100.0
87.03240	5.7
91.03949	4.9
91.05492	8.1
97.02890	30.3
98.97581	45.1
101.06005	12.9
109.02830	6.0
110.07164	7.0
114.76723	4.3
116.98635	35.5
118.06570	4.3
119.07015	6.3
120.08099	11.7
124.03941	11.1
126.12759	4.7
127.03915	24.7
127.13618	3.7
130.06490	4.5
132.08054	4.9
134.99663	21.3
136.06180	72.3
137.05934	5.3
142.12288	6.1
145.03165	4.5
145.04939	34.2
148.08769	6.2
158.42615	3.8
163.05992	13.9
166.07245	26.3
166.08466	6.4
166.09761	8.3
167.03419	4.5
178.09747	5.7
193.10847	25.5
220.10835	11.9
221.04131	4.0
231.73997	4.6
232.96297	5.3
234.11252	16.4
239.11346	29.7
254.13924	7.6
262.10791	9.1
274.97473	55.6
280.11893	7.9
292.98444	23.3
298.13586	9.7
298.16379	19.2
316.84857	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	298.2743
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03936	1.2
55.01857	1.0
55.05512	16.7
56.05037	9.9
56.05851	1.0
56.96555	4.5
57.03442	2.3
57.07077	4.7
58.02963	1.9
59.77601	0.8
60.04523	5.2
65.03927	1.8
67.05505	25.7
68.05029	5.2
69.03442	1.2
69.06710	1.3
69.07069	18.0
69.57516	2.4
69.57902	1.3
71.08643	2.7
72.08161	2.8
79.05495	17.8
80.05028	2.4
81.03403	5.3
81.07061	19.1
82.03742	1.4
82.06577	10.7
82.07376	1.2
83.04992	1.4
83.08628	9.4
84.08147	1.1
85.10187	1.4
86.06056	2.7
91.05479	8.6
91.41856	0.9
93.07053	11.4
94.06547	4.9
95.04965	5.0
95.08603	16.4
96.05302	0.9
96.08147	2.0
97.06522	1.0
97.07648	1.1
97.10160	4.6
98.06078	2.1
98.97581	29.2
100.07619	3.0
100.95599	0.8
105.07024	6.7
106.07339	1.3
107.08596	5.4
108.08164	1.2
109.06492	2.6
109.10158	6.1
111.11696	1.4
114.09155	0.8
114.10310	1.6
116.98625	17.9
117.07025	1.1
119.06146	1.0
119.08587	5.9
120.08932	1.4
121.06503	1.4
121.10156	4.4
122.06842	1.6
122.09672	1.9
123.08102	1.0
123.11678	1.5
124.08379	1.1
131.08580	1.2
132.11366	1.3
133.10149	3.8
134.06871	1.1
134.99644	6.5
135.08041	1.3
135.11737	3.1
136.06197	1.9
145.06496	2.1
146.06837	1.6
147.08083	1.4
147.11678	1.6
153.00627	0.9
158.10480	1.3
160.12059	0.9
161.05959	2.4
162.06342	2.6
167.03438	3.1
168.08945	1.2
171.08246	1.1
172.94356	1.5
174.13655	1.5
182.10469	1.2
186.09917	1.2
190.95314	1.5
196.12033	2.0
198.13611	2.6
210.09874	1.1
222.13564	1.0
232.96503	3.0
240.14777	2.2
242.16196	1.5
245.22809	1.7
250.13481	0.8
250.25288	8.7
252.18297	1.1
256.17761	1.1
256.96494	2.0
262.25244	4.8
270.19385	2.4
274.97504	21.2
280.17792	2.2
280.26337	100.0
281.26709	4.8
292.98526	16.0
293.99115	1.2
297.99075	2.3
298.13953	3.1
298.18814	17.2
298.27426	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	298.2742
Annotation	Cassine
Peak:m/z	Relative Intensity
50.03697	1.0
53.03940	1.7
53.50356	1.1
55.05509	20.0
56.05032	8.0
56.96551	2.2
57.07060	4.8
58.02958	3.6
60.04514	4.0
61.49651	1.1
65.03941	1.1
67.05160	2.2
67.05502	27.5
68.05014	3.4
69.07061	20.0
69.32192	5.8
71.08627	2.1
72.08125	1.2
79.05484	15.4
80.05000	2.7
81.07059	19.2
82.06573	11.5
83.04973	1.2
83.08607	9.5
86.06054	2.5
91.05480	9.4
93.07040	10.0
94.06062	1.1
94.06563	6.4
95.04933	2.6
95.07325	1.4
95.08599	17.2
96.08114	2.1
97.07621	1.1
97.10181	3.9
97.49509	1.0
97.62934	1.1
98.06042	2.3
98.97578	24.6
99.34910	1.1
100.07615	2.5
105.07034	4.9
107.08598	4.1
107.95256	1.2
108.08127	3.0
109.10155	5.6
114.09121	1.3
115.37619	1.3
116.98611	13.0
119.08574	3.6
121.10119	4.6
122.09648	2.5
123.11722	2.7
128.20946	1.1
133.10135	2.6
134.99644	3.1
135.11707	1.6
136.06161	2.0
167.03442	2.3
172.92776	1.0
232.96375	2.0
250.25215	9.2
250.97685	1.1
256.96387	1.7
259.50131	1.2
262.25327	3.7
269.27469	1.1
274.97464	16.4
280.26334	100.0
281.26785	5.1
292.98538	11.0
298.14111	1.3
298.27515	1.2
298.31082	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	299.0915
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
50.36092	0.2
60.04500	0.2
67.01868	0.2
67.05496	0.3
68.99770	0.2
69.07744	1.5
69.92191	0.2
79.05482	0.3
81.03407	0.3
81.07023	0.2
83.08617	0.2
95.04929	0.3
95.08583	0.4
98.97562	0.3
105.06988	0.3
107.08594	0.3
116.98602	0.3
123.08028	0.3
124.01560	1.6
133.06474	1.5
134.07275	0.3
135.04404	0.3
159.04381	0.4
167.03384	2.8
185.06076	0.2
197.05923	0.6
201.05438	0.4
211.07587	0.4
212.48065	0.2
213.05402	0.5
227.06984	0.6
241.04984	0.4
255.06531	0.3
256.07281	40.4
257.07684	1.8
275.97736	0.3
281.19104	0.3
284.06772	18.1
285.07184	0.7
299.09109	100.0
299.19830	1.3
300.09424	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	299.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.3
55.05506	20.4
67.05500	24.9
68.47262	6.7
68.99760	8.8
69.03427	8.8
69.07059	18.6
70.00130	22.3
70.06592	19.2
71.04992	12.2
75.02704	75.3
79.05478	23.6
81.07052	50.4
81.49097	6.6
83.04993	35.1
85.06551	8.7
91.05480	27.1
93.07034	67.6
95.04970	19.0
95.08590	48.4
95.16508	6.9
96.01788	7.0
97.06525	35.5
98.97541	7.8
102.09146	7.6
105.07018	100.0
107.08591	46.9
109.06516	20.2
109.10161	27.8
111.08070	18.2
117.07014	6.8
119.08579	63.2
121.06514	10.8
121.10137	24.0
123.08048	14.9
125.05974	11.2
125.09621	7.2
127.07559	47.9
129.09103	13.4
131.08505	10.7
133.10124	22.8
135.11644	15.6
137.09612	20.6
139.07542	26.2
141.41031	7.7
143.07008	7.6
143.08588	7.6
145.06429	9.9
145.10136	24.2
147.07976	7.6
147.11674	49.1
149.09627	8.4
149.13252	14.9
157.08669	8.2
157.10127	14.9
159.11720	12.9
161.09692	6.7
161.13292	18.4
163.11182	13.9
175.14738	34.2
179.14229	8.2
185.13324	16.2
193.15869	28.1
199.14796	14.9
201.16418	16.7
203.14343	32.5
221.15393	51.5
226.08592	8.2
245.15347	38.9
263.16440	31.6
269.04453	9.4
299.19781	8.4
300.10529	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	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01857	2.2
55.05506	5.8
57.03421	2.2
57.07065	3.6
65.03913	1.0
66.24113	0.7
67.05502	9.5
68.88926	0.7
69.03410	1.5
69.07059	8.8
69.58565	3.3
71.04979	2.3
79.05489	7.6
81.07053	14.4
83.04971	2.3
83.08594	2.9
85.06554	4.2
91.05476	6.4
93.07051	6.1
95.04957	2.1
95.08590	5.0
97.06531	4.7
97.10113	1.1
105.07021	10.0
107.08579	7.3
109.06521	4.7
109.10146	2.2
111.08018	0.9
115.05455	1.7
117.07007	2.2
119.08570	12.7
121.06483	3.2
121.10118	3.7
123.08046	3.8
123.11656	1.2
125.09668	1.5
128.06229	3.1
129.06995	4.9
130.07747	1.1
131.05013	0.8
131.08553	7.8
133.06441	1.1
133.10138	11.9
135.08025	2.7
135.11703	1.5
137.09586	1.9
141.06960	3.0
142.07758	5.7
143.08563	10.6
144.09267	1.7
145.06493	1.5
145.10110	13.0
147.08060	2.1
147.11668	4.1
147.12708	0.8
149.09608	2.4
151.11128	0.9
153.06953	2.4
154.07793	2.1
155.08534	13.5
156.09315	7.9
157.10118	18.7
158.07205	1.2
158.10817	1.6
159.08018	4.0
159.11667	9.8
161.09605	2.1
161.13193	1.3
163.11090	1.0
165.06970	2.1
167.08530	6.8
168.09337	6.0
169.10110	22.4
170.07117	0.9
170.10913	7.1
171.08008	2.6
171.11673	22.2
172.08789	2.7
172.12408	1.9
173.09633	5.3
173.13275	7.7
174.10197	0.9
174.13640	1.0
175.11174	5.6
177.12749	1.4
179.08481	1.9
180.09253	2.3
181.10132	9.4
182.10904	14.6
183.08028	2.7
183.11674	35.3
184.08725	1.0
184.12352	3.3
185.09666	6.5
185.13242	15.3
186.10358	4.2
186.13557	0.8
187.11154	14.5
187.14803	3.8
189.12708	3.8
191.14261	0.9
192.09320	1.1
193.10161	3.4
194.10915	2.0
195.11662	23.2
196.08824	0.9
196.12463	9.6
197.09619	3.6
197.13237	52.9
198.10403	5.5
198.13794	2.3
199.11201	5.3
199.14853	6.4
200.11949	3.8
201.02025	0.8
201.12770	7.3
203.10609	3.7
203.14331	1.7
205.12137	2.0
206.10875	1.0
207.11659	2.2
208.12547	1.4
209.09601	1.1
209.13213	11.4
210.10437	1.7
210.14008	16.3
211.11421	5.9
211.14790	32.8
212.11710	1.0
212.15321	1.1
213.12733	26.6
213.16110	4.7
214.13297	1.1
215.14291	34.1
216.11368	0.8
218.13074	2.1
219.11693	2.0
219.13651	0.9
221.13242	2.7
222.13986	1.2
223.11131	1.5
223.14749	4.5
224.11967	1.3
224.15567	7.9
225.12738	12.0
225.16216	3.6
226.13197	1.3
226.17146	2.5
227.14302	7.7
227.17941	2.0
228.14838	1.5
229.12286	3.6
229.15848	3.5
231.13770	3.0
234.14034	2.2
235.14751	2.5
237.12675	3.0
237.16328	5.1
238.13455	1.1
238.17009	1.1
239.14346	13.3
239.17915	69.3
240.14787	1.1
240.18286	3.4
241.12227	1.0
241.15820	3.4
243.13737	9.4
244.14467	1.1
245.15306	2.4
248.15686	1.1
251.14249	1.5
252.15059	2.0
253.15799	6.5
253.19524	5.4
255.17430	5.0
257.15363	9.6
257.18973	7.3
263.17889	7.4
266.16660	2.0
269.18994	2.9
270.16071	1.9
271.17184	3.8
271.20465	3.0
281.18982	21.1
299.20007	100.0
300.20374	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	299.2006
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
51.91068	0.8
53.03936	1.0
55.01869	1.2
55.05508	7.8
57.03437	8.7
57.07077	1.7
61.66491	0.9
62.66857	1.0
65.03960	1.3
67.05503	18.4
69.03418	2.6
69.07069	9.7
71.04997	1.1
79.05489	5.3
81.03413	15.7
81.07059	13.6
83.04990	2.8
83.08609	4.1
86.29064	0.9
87.73949	1.0
90.75030	0.9
91.05470	7.1
93.07048	10.3
95.04962	16.3
95.08606	29.9
97.06448	1.1
105.07022	17.2
107.04959	2.1
107.08578	8.0
109.06498	11.6
109.10168	8.1
111.08033	1.3
115.05448	1.5
115.61362	0.9
116.20058	0.9
117.06992	3.0
119.08585	8.8
121.05717	1.5
121.06509	17.1
121.10124	5.2
123.04462	1.9
123.08066	63.4
123.11685	5.0
124.08456	1.2
129.07030	3.3
131.04895	1.7
131.08580	10.0
133.06491	7.8
133.10112	5.5
135.08051	14.7
135.11696	3.0
137.09636	2.0
137.13258	6.2
141.06989	1.9
142.07765	2.1
143.08537	5.6
144.09338	1.0
144.97386	1.1
145.06485	6.3
145.10112	7.9
147.08022	7.3
147.11688	4.4
149.09633	4.5
149.13243	3.0
151.11137	1.1
155.08560	3.2
157.10139	5.3
159.08034	6.4
159.11703	8.2
161.05977	22.1
161.09613	8.4
161.13268	4.7
162.06340	1.1
163.14842	1.2
167.08519	1.7
168.09305	1.7
169.10118	3.5
171.08054	2.0
171.11656	3.4
173.09563	6.1
173.13240	6.7
175.07541	2.9
175.11133	6.3
175.14839	3.8
177.08990	1.0
177.12769	8.9
177.16342	1.6
179.08574	1.9
181.10135	2.1
183.08037	1.9
183.11681	5.6
185.09613	3.9
185.13284	1.9
186.10329	1.6
187.11194	4.1
187.14824	3.9
189.12692	2.8
190.13522	1.4
191.14319	9.4
193.10170	1.2
197.09560	1.6
197.13260	3.5
199.11137	3.0
199.14842	4.5
200.15474	1.2
201.12732	3.9
203.14259	2.3
204.15146	1.3
205.15883	21.1
207.11729	1.6
211.11089	6.7
212.11899	1.2
213.12723	1.5
213.16411	3.0
214.09465	1.1
215.10753	1.7
215.14299	2.1
216.11443	1.0
217.15860	4.0
223.14911	1.6
225.12793	2.5
225.16405	3.3
227.14253	1.8
229.12163	2.4
237.16162	1.1
239.14391	1.2
241.15910	5.4
243.13809	1.6
243.17404	3.7
252.10541	1.1
253.19440	2.7
255.17464	1.3
257.19052	1.9
263.17944	1.5
271.20535	8.1
281.19009	15.1
299.20056	100.0
300.20462	4.9
300.23544	1.2
300.32672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
53.03938	2.1
54.34709	1.2
54.76035	1.1
55.01868	2.4
55.05504	7.8
57.03429	7.1
65.03916	1.1
67.05171	1.2
67.05502	16.6
69.03416	1.6
69.07058	8.3
69.94880	3.0
69.95251	1.9
77.03863	1.0
79.05494	6.8
81.03410	23.9
81.07060	9.5
83.04984	1.9
83.08604	3.2
84.12152	1.0
86.18117	1.0
91.05476	6.2
93.07047	10.6
95.04958	16.7
95.08595	30.3
97.06489	0.9
99.08115	1.0
103.05448	1.0
105.07015	10.8
107.04935	2.2
107.08589	6.6
109.06507	11.5
109.10143	7.7
111.08075	1.5
115.05445	1.4
117.06985	4.0
119.08568	7.8
121.06500	14.7
121.10144	5.6
123.04465	2.3
123.08058	76.8
123.11696	3.0
124.08428	1.3
125.06036	1.2
125.09634	1.1
129.06990	2.7
131.04897	2.0
131.08565	7.2
133.06464	2.5
133.10104	5.6
134.42183	1.0
135.08034	14.2
135.08942	1.6
135.11736	2.5
137.09607	2.8
137.13225	3.3
141.06966	1.5
143.08572	6.6
144.09286	1.2
145.06480	6.2
145.10110	8.5
147.08047	4.5
147.11685	4.1
149.09615	6.1
149.13249	3.7
151.11194	1.5
155.08511	3.4
156.09276	1.3
157.10115	4.5
159.08046	4.8
159.11667	7.7
161.09612	7.6
161.13252	3.3
163.11203	2.9
163.14813	1.6
167.08612	1.4
168.09308	1.9
169.10103	3.3
171.08032	2.5
171.11719	5.6
173.09555	5.0
173.13255	6.8
175.07518	2.6
175.11154	7.1
175.14825	2.8
177.12723	8.8
177.16440	1.2
182.10786	1.1
183.08029	1.2
183.11685	4.4
185.09543	5.7
185.13211	1.6
186.10374	1.8
187.11197	3.9
187.14885	3.2
189.09145	1.0
189.12817	3.0
191.14270	9.1
195.11674	2.0
197.09573	1.5
197.13290	2.9
199.11134	2.9
199.14793	5.8
201.12706	2.6
201.16425	2.0
203.10744	1.6
204.15025	1.1
205.15863	27.8
205.17693	1.8
209.13275	1.6
211.11217	7.4
212.11938	1.4
213.12733	2.4
213.16359	1.8
215.10753	1.6
217.15828	3.0
225.12772	3.5
225.16370	3.3
227.14241	3.1
229.12247	3.6
229.15761	1.7
239.14325	1.6
241.15836	3.7
243.13814	2.2
243.17429	4.1
253.16086	1.3
253.19492	2.8
255.17435	2.5
257.18924	1.6
263.17902	1.4
271.20538	5.7
281.18970	13.8
282.19150	1.0
299.20035	100.0
300.20328	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	300.09
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99583	3.1
61.55268	0.7
71.21737	0.9
72.42937	0.9
74.00648	1.3
76.02225	7.7
79.05511	1.3
84.82053	0.7
86.12716	0.8
86.99046	1.7
88.03994	1.2
89.06064	0.7
91.05482	3.3
103.05477	1.1
105.00071	1.9
105.07027	41.9
106.07328	0.9
107.04977	0.9
107.08591	1.5
109.06509	9.6
115.05441	9.9
117.07011	22.5
121.06490	2.0
122.02724	29.6
132.05649	1.0
132.25693	0.8
133.06485	98.9
134.06822	1.8
135.08055	5.7
136.06166	11.7
137.04253	16.6
137.05954	36.7
138.04346	0.9
147.02629	1.4
149.05936	2.0
150.01370	5.3
158.07317	0.7
161.05972	66.2
162.06288	2.2
165.03697	34.9
165.34221	0.7
179.07025	100.0
180.07349	2.5
183.04739	5.1
191.05275	1.1
199.96251	0.9
211.04237	7.0
219.04663	2.6
236.07359	2.6
254.08441	5.0
265.05304	6.4
282.07938	5.5
283.06256	4.8
286.04727	1.8
300.08881	4.2
304.72357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
70.35142	1.3
81.07023	0.6
82.22559	0.6
92.31039	0.6
98.97603	1.4
105.07039	0.6
116.98582	1.2
124.01600	1.9
134.99593	1.1
135.04414	1.4
163.03912	0.7
167.03394	5.0
168.00500	1.4
184.05089	1.0
186.01593	0.9
203.03470	2.4
212.04604	1.0
213.05479	1.3
221.25349	0.6
241.05005	1.1
258.05225	17.8
259.05539	0.7
268.03696	0.7
286.04684	21.6
287.05023	0.9
301.07050	100.0
301.14203	2.2
302.07330	3.3
321.52600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
61.73309	0.2
67.05450	0.4
69.09087	1.8
79.05448	0.4
81.07010	0.6
91.05402	0.4
93.06964	0.8
93.56083	0.2
95.08552	0.5
97.06477	0.3
98.22607	0.5
99.00748	0.3
102.86798	0.2
105.06984	0.5
107.08502	0.5
112.01505	0.5
119.04849	1.0
119.08561	0.6
120.05701	1.5
121.02866	1.4
121.10099	0.3
123.11630	0.3
127.00130	0.3
133.10048	1.0
140.00970	1.0
145.10048	0.6
147.04333	1.0
147.11617	0.3
156.05727	0.3
157.06439	0.4
159.11618	0.4
160.05194	2.0
167.04970	0.3
168.00543	4.2
171.04301	0.4
171.11595	0.3
173.13144	0.3
184.05098	1.0
186.01598	2.5
187.03893	0.6
195.04396	4.8
201.05409	0.3
213.05414	0.6
215.03246	0.3
222.86661	0.4
229.05003	0.6
234.05145	0.8
240.04097	1.4
241.04918	0.3
242.71861	0.3
257.04471	1.8
258.05252	1.3
268.03632	0.9
285.03906	2.2
286.04684	100.0
287.05060	3.5
300.02710	1.0
301.07037	80.8
301.21597	1.0
302.07333	3.2
302.17233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	0.6
75.05012	0.4
75.32392	0.4
81.03412	0.6
81.07053	0.7
84.04479	0.8
91.05487	0.5
98.23472	0.7
109.06484	0.4
114.80164	0.4
122.93509	0.4
130.04984	0.9
137.05974	1.0
142.61493	0.5
164.78726	0.4
168.00507	0.8
178.97632	0.5
180.08569	0.4
186.01625	0.8
286.04706	9.1
301.07440	11.7
301.12537	100.0
302.07397	0.8
302.12817	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	301.1273
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.87894	0.9
55.01860	2.2
57.03420	2.5
61.02939	4.6
64.38332	0.9
69.03423	7.6
71.04988	1.2
73.02929	1.1
80.70729	0.9
81.03413	1.6
81.52351	0.9
84.04509	1.6
85.02898	33.4
87.04465	1.2
91.03968	2.0
91.05469	4.5
93.07047	2.3
95.04990	1.9
97.02880	8.6
99.04459	1.5
103.03899	1.7
103.05464	1.8
105.06947	1.2
109.02845	2.7
115.05437	1.5
117.07011	2.3
121.06499	29.2
122.06866	1.3
127.03902	5.8
129.06972	2.4
130.04930	1.0
131.08569	3.6
133.06406	1.7
137.05954	1.5
140.07108	1.3
141.06934	2.3
144.05690	2.1
145.04955	7.9
145.06454	5.9
151.07492	2.5
155.08521	1.6
157.06517	3.4
158.07243	1.2
159.08011	7.6
163.07542	2.0
168.00536	3.5
169.06448	2.0
171.08051	2.0
172.24428	0.9
175.07497	5.6
177.09120	1.1
179.06987	1.8
182.08131	1.2
183.08014	2.4
185.05933	1.9
187.07535	17.0
189.09102	1.4
195.04312	1.1
201.09076	1.5
205.08627	7.1
211.07582	1.2
217.08585	2.4
229.08543	4.7
235.09518	2.0
247.09627	3.2
258.04971	1.8
286.04657	20.7
287.05063	1.2
301.07306	20.1
301.12518	100.0
302.07306	1.8
302.12863	3.8
306.43008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21006	1.0
53.03940	3.0
55.01871	10.3
55.05510	12.5
57.03436	19.9
65.03935	4.1
67.01880	1.6
67.05504	36.6
67.05866	1.8
68.99789	5.1
69.03420	1.9
69.07076	8.7
70.06586	8.6
70.99172	1.1
71.04996	4.2
71.06936	3.8
71.43634	1.1
73.02943	1.2
79.05491	42.3
80.05841	1.6
81.03424	6.3
81.07054	32.2
83.04978	19.3
83.08613	4.4
85.02933	1.5
85.06547	4.2
91.05476	23.6
93.03405	1.7
93.07043	47.1
94.07378	8.7
95.04972	11.4
95.08602	17.7
97.02882	1.1
97.06540	11.2
97.10155	1.3
99.04447	4.4
103.05490	1.8
105.04525	3.0
105.07027	15.5
107.04949	24.6
107.08589	24.6
108.08929	2.3
109.02878	1.9
109.06509	3.7
109.10168	7.6
111.04448	21.1
111.08047	5.9
115.05479	1.8
117.07023	10.5
119.08586	15.9
121.06516	8.0
121.09267	2.6
121.10139	53.4
122.10467	19.7
123.04440	1.5
123.08089	2.6
123.11694	2.5
124.01559	2.3
125.06011	2.8
128.06218	1.4
129.06995	4.7
130.07820	2.1
131.04878	2.8
131.08560	12.4
132.05753	1.3
133.06520	1.8
133.10143	4.3
135.04422	1.4
135.08080	5.4
135.11693	24.2
136.12119	1.6
137.02292	1.4
139.07520	1.4
139.11177	1.6
142.07819	1.4
143.08569	2.7
144.08130	1.9
145.06517	6.3
145.10118	27.8
147.04497	1.8
147.08058	2.8
147.11685	2.8
149.09599	10.4
150.10011	1.8
153.12743	8.6
155.08546	7.9
157.10144	2.8
159.11684	3.8
161.05972	1.9
163.11176	37.9
167.03462	2.7
168.00568	3.6
169.10193	1.3
171.04323	1.6
171.11703	3.3
173.09630	19.2
173.13216	7.0
178.03050	1.1
181.12239	16.0
185.13161	2.0
186.01575	1.9
189.05490	4.5
191.10692	17.7
199.14900	1.5
201.12685	2.0
203.03348	3.5
209.11717	11.0
217.04956	17.5
227.12692	10.1
245.04475	17.6
255.21255	3.1
258.05176	17.2
265.14374	1.3
273.03909	21.0
283.15445	5.1
283.20700	3.5
286.04706	28.1
301.03439	33.5
301.07071	100.0
301.16461	34.0
301.21503	15.8
302.04196	2.2
302.07410	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	301.1797
Annotation	D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione
Peak:m/z	Relative Intensity
53.03944	1.3
55.01873	2.5
55.05516	6.6
57.03433	3.2
57.07073	1.7
65.03928	1.5
66.88667	1.0
67.05502	13.0
68.99761	1.4
69.03428	3.8
69.07066	9.1
70.06579	2.2
70.16788	1.9
71.04986	1.9
76.29849	0.9
79.05492	10.8
81.03398	6.2
81.07050	26.8
83.04974	7.5
83.08624	1.9
85.06555	1.4
91.05480	12.2
93.03412	1.2
93.07038	15.7
95.04973	8.0
95.08597	16.0
95.37091	1.0
97.02887	3.8
97.06543	2.9
97.10227	1.0
98.23419	1.1
99.04456	1.3
105.07026	20.6
107.04971	2.9
107.08579	18.7
107.09260	1.5
109.06511	8.9
109.10145	10.5
111.04461	2.3
111.08086	2.8
115.05493	2.4
117.07001	5.6
119.08566	19.8
121.06487	6.9
121.10149	9.4
123.08048	6.0
123.11681	1.2
124.17622	1.0
125.05946	1.2
125.09644	3.2
128.06221	2.5
129.06993	6.5
130.07777	1.3
131.04904	1.8
131.08572	13.9
133.06448	3.1
133.10117	22.6
135.08043	13.0
135.11667	3.0
137.06000	1.5
137.09616	2.7
139.07506	1.3
139.11220	1.0
141.06966	1.7
142.07822	5.1
143.08554	12.8
144.09331	3.1
145.06479	5.9
145.10109	22.6
147.08023	6.2
147.11662	12.5
149.09610	7.0
151.07498	1.2
151.11177	1.3
153.06993	1.4
155.08566	4.5
156.09325	7.5
157.10110	16.9
158.10846	1.9
159.08060	5.3
159.11678	18.9
161.06067	1.2
161.09628	6.9
161.13248	8.4
163.07532	1.6
163.11209	3.7
165.06964	2.0
165.12653	0.9
167.08553	2.9
167.10583	1.8
168.00496	1.7
168.09288	2.8
169.10077	6.5
170.10892	3.1
171.08040	2.9
171.11678	24.7
172.08784	1.5
173.09624	7.0
173.13264	10.9
175.11140	8.6
175.14828	2.8
177.09132	2.3
177.12770	1.7
179.08536	1.8
179.10695	1.8
181.10156	5.8
182.10924	2.1
183.07999	1.6
183.11734	5.1
184.08859	1.3
184.12521	1.8
185.09625	7.5
185.13235	12.8
186.01474	1.4
186.14026	1.4
187.11176	7.6
187.14821	3.4
189.12775	6.4
190.13409	1.5
191.10707	2.3
191.14291	2.7
193.10294	1.5
193.12267	5.1
194.10934	2.0
195.11685	4.8
196.12669	1.1
197.09612	2.5
197.13240	4.7
198.10347	1.7
199.11142	12.5
199.14786	13.3
200.11935	2.6
200.15533	1.4
201.12788	4.0
201.16252	1.0
203.10588	2.4
203.14334	2.8
205.12230	10.8
207.11705	2.5
208.12456	2.1
209.09674	1.5
209.13312	2.8
211.11182	2.7
211.14781	3.0
212.11945	1.6
213.12735	7.2
213.16284	5.8
215.10637	1.9
215.14284	3.0
217.04968	2.7
217.12221	10.3
217.15755	6.0
219.13762	3.2
223.11127	1.8
223.14787	3.6
225.12880	1.3
227.10570	1.6
227.14279	5.5
227.17999	3.9
229.15977	1.7
231.13866	3.0
237.16309	5.3
239.14297	3.1
241.12201	2.2
241.15829	7.5
243.13753	2.8
245.04456	2.7
245.11717	5.8
245.15370	4.2
255.11185	2.9
255.13708	1.6
255.17410	10.3
255.21060	14.2
257.15305	3.7
258.12543	2.4
259.13287	3.7
259.16949	3.4
265.15887	4.4
273.03943	2.3
273.15305	2.1
273.18521	8.0
283.10553	1.3
283.16946	27.9
283.20499	2.8
284.17310	1.6
286.04703	15.8
301.03433	5.9
301.07040	18.8
301.10577	8.0
301.17969	100.0
301.21609	23.5
302.07230	1.2
302.18298	5.9
302.21616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1799
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
53.03942	0.4
55.01859	0.6
55.05512	1.7
55.32339	0.3
57.03422	0.6
57.07059	0.5
65.03938	0.5
67.05502	4.4
68.99784	0.4
69.03415	0.3
69.07071	1.3
70.06582	0.4
70.46374	0.5
70.46712	0.4
71.04980	0.7
72.08191	0.3
75.93513	0.2
77.03909	0.5
77.84727	0.3
79.05489	4.4
81.03405	0.4
81.07059	4.0
83.04972	1.3
83.08624	0.7
91.05476	6.4
93.03419	0.4
93.06453	0.3
93.07042	6.8
95.04977	3.3
95.08607	2.4
97.02892	0.4
97.06532	3.0
99.04457	1.1
101.95818	0.3
103.05480	0.5
105.04523	0.7
105.07017	4.5
107.04936	0.9
107.08588	10.0
109.06532	1.6
109.10149	2.2
111.04448	2.4
111.08076	3.2
115.05419	0.4
117.07028	1.4
119.08568	3.1
121.06503	100.0
121.10090	1.8
122.06825	2.0
123.08081	0.7
125.06020	0.7
125.09627	2.0
129.07021	1.0
131.08577	2.7
133.06514	0.5
133.10153	1.9
135.08054	5.8
135.11664	0.4
137.05962	1.0
139.07524	1.6
141.09100	0.5
142.07848	0.4
143.08505	1.3
144.09315	0.4
145.06445	0.3
145.10098	2.6
147.07066	0.3
147.08057	1.9
147.11682	2.1
149.09616	4.7
149.13234	0.5
151.07518	0.8
153.09096	4.5
155.08513	0.4
156.09291	0.5
157.10185	2.1
159.08095	0.3
159.11708	1.6
161.09613	2.1
161.13248	0.8
162.10403	1.6
163.11203	1.3
165.33212	0.3
167.08548	0.3
167.10686	0.3
168.00557	0.6
169.10144	0.4
170.10887	0.4
171.11699	1.7
172.12486	0.3
173.09637	0.9
173.13275	1.1
175.11180	4.9
176.11986	0.6
179.10699	0.3
181.10075	0.4
183.11705	0.8
185.09613	0.4
185.13252	1.8
186.01587	0.4
187.11229	0.4
187.14969	0.5
189.12776	2.2
190.13507	4.6
191.10651	0.5
193.12236	4.7
195.11761	0.5
197.13235	0.5
199.11176	0.7
199.14803	0.6
201.12691	0.5
203.14333	0.9
204.15121	0.7
205.12253	1.0
211.14796	0.3
213.16365	0.5
217.05032	0.6
217.12170	0.5
229.12178	0.7
229.15808	0.3
231.13686	0.3
237.16518	0.4
241.12297	0.3
245.04535	0.6
245.15408	0.5
255.21158	0.9
265.16193	0.3
265.19589	0.3
273.03946	0.7
273.18515	0.5
283.16913	2.6
283.20554	1.2
286.04657	4.6
301.03442	1.4
301.07089	4.8
301.17981	15.6
301.21613	3.6
302.07428	0.3
302.18301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94702	2.3
55.01869	7.8
55.05511	10.6
57.03431	13.7
57.07065	2.9
61.02919	5.6
67.05502	22.6
67.32049	2.4
69.03416	2.9
69.07072	12.3
70.21075	4.7
71.05004	14.4
71.90069	2.4
79.05486	22.3
81.07059	29.9
83.04975	11.3
83.08629	15.5
85.06534	7.0
86.26182	2.5
91.05473	14.6
93.07043	100.0
95.04961	21.0
95.08611	41.6
96.09474	2.4
97.06525	33.1
97.10143	3.3
98.43897	2.9
99.04439	3.0
101.05995	4.5
105.07037	19.5
107.08594	24.2
109.06497	20.9
109.10162	29.2
111.08076	32.6
113.09645	89.8
117.07031	3.0
119.08585	12.1
121.06493	20.1
121.10139	15.0
123.08042	6.2
123.11713	8.6
125.05992	10.4
125.09634	4.8
127.07552	6.2
127.11231	3.8
129.05499	3.5
129.09102	6.5
131.08563	5.9
133.10130	10.3
135.11678	4.9
137.05963	3.2
137.09579	6.8
139.07538	81.5
143.07033	8.9
145.10127	9.9
147.11691	14.4
149.13269	19.3
157.08601	67.9
157.09894	5.2
159.11713	3.3
163.11093	2.4
163.41394	2.6
169.08664	4.5
171.11548	2.9
173.13220	4.6
177.16388	11.2
187.14799	11.2
191.14380	5.3
195.17404	3.4
203.17966	3.0
205.15878	9.7
214.25175	2.6
223.16887	8.8
229.15840	8.7
231.53314	3.1
247.17014	14.4
265.18021	16.6
283.18964	3.9
286.04703	12.1
301.06870	18.1
301.14230	3.0
301.20099	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	301.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
54.54980	1.5
55.01871	11.2
55.05507	15.7
55.58507	1.5
57.03434	14.4
57.37049	1.9
61.02906	5.0
67.05499	23.7
69.03424	2.2
69.07070	14.6
71.05008	15.3
73.25065	1.8
77.03936	1.6
79.05497	20.1
81.07057	33.6
83.04964	9.1
83.08614	13.9
85.06551	3.9
91.05476	17.0
93.07040	99.7
94.07378	2.6
95.04962	16.8
95.08601	53.6
97.06525	48.0
97.10165	2.3
99.04356	2.3
99.08105	1.9
101.05998	8.5
105.04510	2.2
105.07018	19.1
107.08591	24.7
109.06520	26.3
109.10156	31.2
111.08074	47.6
111.09276	1.8
113.09641	95.1
114.09995	2.1
117.06975	1.8
119.08578	13.7
121.06481	21.4
121.10149	14.3
123.08062	6.3
123.11703	8.2
125.05971	10.1
125.09602	2.2
127.07531	2.7
127.11205	3.4
128.81706	1.9
129.09132	13.2
131.08575	5.5
133.06418	2.1
133.10136	13.5
135.08054	3.1
135.11682	4.7
137.09604	6.2
139.07533	100.0
140.31993	1.8
143.07019	9.6
145.10110	7.0
147.11690	13.0
149.09579	2.4
149.13263	19.1
151.11148	3.2
153.09071	2.4
157.08601	83.9
159.11685	5.6
161.13252	6.5
163.07381	1.8
169.08589	2.2
173.13235	3.3
175.11185	2.6
177.16374	8.2
185.13184	2.6
187.14841	12.6
189.12778	2.1
191.14290	2.9
201.16393	4.0
203.17993	6.8
205.15898	9.4
211.14838	2.5
214.50134	1.8
223.16922	12.2
229.15895	5.5
239.20024	3.5
241.17909	2.3
247.16963	19.8
265.17975	19.7
283.19064	10.2
286.04678	12.5
301.06940	15.5
301.10150	2.7
301.20074	7.6
314.58255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78198	0.3
56.76988	0.3
58.06594	1.6
84.08138	0.5
98.09724	0.6
102.05556	0.3
123.61903	0.3
124.80469	0.3
144.10193	43.4
145.10507	1.0
158.11757	100.0
159.12128	1.8
180.74403	0.3
203.09442	0.4
244.69942	0.3
301.21262	1.5
316.33557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.9
60.56916	0.3
70.06584	0.5
70.87064	0.3
71.05009	0.6
72.08160	0.8
84.08165	1.0
98.09676	0.5
102.05537	0.4
119.01897	0.9
139.04993	0.3
144.10188	49.7
145.10544	0.8
158.11751	100.0
159.12080	2.1
168.00395	0.4
172.08202	0.6
184.04448	0.3
186.04167	0.5
198.98485	1.1
200.07738	0.6
204.05371	0.3
216.99695	0.3
218.08701	1.5
219.08763	0.2
286.04614	2.1
301.07040	2.3
301.13873	0.7
301.21130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05504	10.6
57.03430	2.1
57.07072	6.8
59.04980	3.7
67.05496	13.7
69.03416	2.5
69.06705	1.5
69.07059	16.9
69.45815	6.0
70.06573	3.2
71.04987	2.1
71.06899	1.1
71.08642	1.4
77.89820	1.2
79.05053	1.4
79.05482	15.8
81.03399	4.4
81.07046	29.4
83.04958	5.0
83.08601	4.5
84.08132	1.3
85.06515	4.1
88.07613	1.7
91.05472	13.2
92.76216	1.3
93.07039	21.1
95.04958	12.3
95.08015	2.3
95.08592	28.1
97.06513	14.4
97.10151	3.0
98.22739	1.6
99.08080	2.6
105.04507	1.2
105.07014	27.8
107.04963	8.0
107.08582	26.3
109.06511	10.6
109.10143	12.8
111.08057	3.2
111.49178	1.1
113.09595	1.3
114.09138	3.7
117.07018	6.3
119.08566	53.4
120.08958	1.5
121.06517	3.2
121.10136	22.0
123.08057	7.6
123.11711	9.2
125.09623	4.1
128.06180	2.6
129.06963	4.2
131.08551	18.6
132.10205	6.7
133.06464	1.9
133.10095	34.7
135.08022	5.9
135.10753	1.7
135.11688	16.7
137.09608	10.2
137.13242	2.1
139.11203	1.8
141.06946	2.2
141.09018	1.8
142.07745	5.8
143.08569	11.5
144.09221	1.7
145.06482	1.9
145.10103	23.9
147.08017	4.0
147.11667	18.3
148.12062	1.3
149.09578	3.8
149.13216	5.5
151.11165	5.2
151.14844	2.1
154.95036	1.2
155.08505	4.1
156.09302	5.7
157.10110	27.6
158.10858	2.4
159.08020	3.3
159.11674	22.8
160.12100	1.4
161.09602	9.0
161.13237	10.1
163.11168	6.7
163.14824	2.8
165.12747	3.6
167.10707	1.4
168.00496	3.4
169.10089	6.8
170.10863	4.5
171.08034	1.3
171.11670	23.5
172.12289	1.6
172.20732	1.2
173.09610	4.8
173.13242	19.4
175.11121	8.7
175.14796	12.4
177.12770	6.0
179.10599	1.9
181.10077	2.3
182.10928	3.1
183.11658	12.6
184.12415	3.2
185.13235	14.3
186.01480	1.4
187.11130	5.2
187.14847	11.9
189.12721	23.4
189.16370	4.4
191.14276	4.7
193.10092	1.6
193.15854	40.3
194.16075	1.5
195.11667	4.7
196.12482	1.9
197.13249	9.8
199.11203	2.7
199.14818	25.8
201.12686	8.8
201.16353	3.7
203.14291	13.4
204.15076	4.4
205.12195	2.3
205.15825	4.8
208.12233	1.6
209.13286	5.1
210.13942	1.2
211.14775	3.2
213.12715	5.4
213.16298	8.3
215.12375	2.2
215.14291	31.5
215.17903	4.0
217.11960	1.6
217.15819	4.0
219.13765	3.8
221.15338	21.6
223.14731	3.9
225.16325	3.3
227.14297	4.0
227.17876	2.9
229.15874	2.0
229.19521	2.3
231.13762	2.0
231.17453	1.3
237.16510	1.9
239.17905	9.8
240.23155	2.3
241.15889	8.7
241.19516	7.2
243.17381	5.2
245.15283	1.5
245.18861	1.7
255.17357	1.8
255.21019	6.0
257.19009	17.5
258.05203	5.4
259.16879	13.5
259.20551	4.4
265.19519	7.7
273.22046	5.8
283.17209	1.8
283.20517	37.5
284.20981	2.1
286.04697	24.1
300.28961	7.7
301.03745	2.0
301.07001	52.5
301.18057	7.5
301.21552	100.0
301.29175	34.8
302.07220	3.3
302.21924	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03941	3.3
55.01859	2.4
55.05506	10.6
57.03434	27.1
57.07064	2.6
65.03927	2.1
66.57085	0.9
67.05498	17.5
69.03416	4.7
69.07053	9.4
69.51643	4.8
71.04994	2.3
73.06547	2.8
77.03912	2.2
79.05486	43.0
81.03404	4.8
81.07053	25.6
83.04968	3.3
83.08605	4.2
83.32648	0.9
85.06532	3.3
88.07617	4.0
91.05473	21.3
93.07036	23.4
95.04957	15.3
95.08601	25.2
97.06508	7.4
98.23373	2.0
98.97538	2.5
103.05459	1.6
105.04532	5.7
105.07017	36.2
107.04244	2.0
107.04945	26.6
107.08585	27.2
109.06499	10.3
109.10145	13.6
111.08058	2.0
113.05935	1.1
113.09689	1.2
115.05405	1.7
117.07002	7.1
119.04972	1.0
119.05955	1.2
119.08571	27.1
121.06484	4.2
121.10133	100.0
123.08057	27.6
123.11677	9.2
125.09620	1.4
128.06212	3.7
129.06989	8.5
130.07777	2.0
131.08557	19.6
133.10110	28.3
135.08070	8.6
135.11685	10.4
137.09608	3.5
137.13261	1.2
141.06976	2.9
142.07751	5.7
143.08545	16.2
143.61263	1.2
144.09297	3.6
145.06496	2.2
145.10109	21.8
147.08040	5.2
147.11671	14.7
149.09592	17.4
149.13222	2.2
151.11140	6.3
154.07764	2.2
155.08516	6.7
156.09299	5.2
157.10115	20.0
158.07259	1.3
158.10832	1.8
159.08026	1.8
159.11679	28.2
161.09618	9.5
161.13252	8.6
163.11163	4.1
163.14864	1.2
165.06914	1.9
165.12790	1.5
167.08548	3.3
168.00577	1.7
168.09283	1.1
169.10112	13.2
170.10892	3.5
171.08073	1.9
171.11688	18.4
172.12134	1.9
173.09650	6.9
173.13239	12.2
174.13969	1.2
175.11179	6.7
175.14798	17.2
177.12779	3.2
179.08563	1.9
179.10645	2.4
179.14220	1.8
180.09196	1.7
181.10104	5.3
182.10834	1.7
183.11649	9.8
185.09583	1.8
185.13248	15.5
185.18547	1.0
186.01668	1.7
186.13974	1.4
187.11172	4.4
187.14815	8.0
188.11917	1.8
189.12755	5.2
189.16362	1.3
191.14308	2.1
193.10123	1.8
193.12152	2.1
193.15865	17.2
194.10860	2.9
195.04195	1.3
195.11641	5.3
196.12428	3.4
197.13208	5.5
199.11218	2.6
199.14809	14.3
200.15446	2.5
201.12651	4.2
201.16368	14.9
203.14241	5.4
204.15167	1.3
205.12161	1.4
205.15796	2.2
207.11603	2.2
209.13286	3.8
210.13937	1.4
211.14792	16.6
212.15439	1.2
213.12733	4.6
213.16376	5.4
214.13246	1.2
215.14290	3.8
216.14725	1.3
217.12239	1.5
217.16028	2.1
219.17601	1.3
221.13315	2.2
221.15268	1.9
223.14838	7.1
225.16360	3.1
227.14243	3.6
227.17973	5.0
229.15854	24.2
231.13721	2.3
231.17303	2.0
236.15654	1.2
237.16298	1.9
239.17899	1.9
241.15834	5.4
241.19418	1.7
242.24742	1.8
243.17448	2.7
245.15181	1.7
245.19060	2.6
254.93648	1.1
255.17166	1.2
255.21077	13.3
257.19156	1.3
258.05289	2.7
259.16879	1.6
265.19464	7.2
273.03857	1.3
273.22043	1.9
278.96948	1.1
283.20544	18.9
286.04681	21.8
287.04996	1.7
301.03757	1.2
301.07028	33.9
301.14111	6.0
301.18069	6.2
301.21555	66.5
302.07434	2.2
302.21814	3.1
302.26904	5.8
302.30341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
50.43512	1.9
50.68815	1.9
55.01859	3.8
55.05516	11.6
56.22995	1.8
57.03429	16.6
57.07042	2.9
67.05498	16.6
69.03410	4.1
69.07059	14.0
69.45132	7.9
69.45525	4.4
73.88844	2.0
79.05478	19.6
81.03413	15.6
81.07045	36.9
83.04952	6.4
83.08597	6.3
85.06522	8.1
88.82130	1.8
91.05468	18.4
93.07038	24.1
95.04972	16.7
95.08601	23.3
97.06516	5.9
103.05449	2.7
105.07018	31.3
107.04926	5.4
107.08588	22.4
109.06506	18.9
109.10145	15.9
111.08045	4.7
115.05392	2.5
116.98606	4.1
117.06992	6.9
119.08560	35.3
121.06481	8.5
121.10116	19.7
123.08087	10.7
123.11678	4.3
125.09594	3.0
128.06172	4.7
129.07013	6.5
131.04912	5.2
131.08572	15.7
133.06502	7.0
133.10104	24.1
135.08022	7.2
135.11678	15.5
137.09592	7.5
141.06958	4.5
141.12727	2.0
142.07767	2.3
143.08575	17.0
144.09340	2.0
145.06459	8.8
145.10088	23.1
147.08032	82.3
147.11652	24.4
149.09608	7.9
149.13210	4.4
151.11151	2.7
155.08516	8.4
156.09373	4.3
157.10095	21.2
159.08078	5.2
159.11670	19.9
161.09584	20.5
161.13235	8.9
163.11163	7.8
167.08505	4.0
168.00558	6.4
169.10086	11.7
170.10861	2.7
171.07935	2.8
171.11661	18.6
173.09653	12.1
173.13240	16.1
175.11139	6.5
175.14801	7.8
177.12706	2.7
181.10075	4.3
182.10847	4.1
183.11642	9.6
185.09599	4.7
185.13220	18.5
186.01521	3.8
186.10335	3.6
187.11125	12.3
187.14801	8.3
189.12654	3.5
189.16316	2.8
191.14310	5.2
193.15851	3.9
194.10941	3.2
195.11655	6.9
196.12419	3.9
197.13196	9.4
199.11145	4.1
199.14836	14.2
201.12717	8.1
201.16347	8.7
202.13516	2.8
203.14325	6.9
205.12190	2.3
207.11774	2.1
209.13271	6.3
211.14713	11.3
213.12721	7.3
213.16388	7.3
215.14352	10.1
215.17847	2.8
219.13800	3.1
223.14804	9.9
225.16315	4.8
227.14325	5.0
227.17941	4.3
229.15851	50.7
237.16386	4.6
239.17921	11.3
241.15842	7.3
241.19476	3.0
243.17357	4.8
245.04535	2.5
245.15329	4.3
255.21004	8.7
257.18881	6.3
259.16849	2.2
265.19418	10.1
271.20593	2.6
278.96808	2.7
283.20520	43.8
285.03979	3.0
286.04700	45.3
287.05026	3.2
301.03598	2.4
301.06998	55.0
301.14359	4.8
301.18036	10.6
301.21533	100.0
302.07178	2.6
302.21793	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	301.2163
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.03944	2.9
55.01868	3.2
55.05507	13.1
57.03432	3.3
57.07066	4.2
59.05011	2.0
65.03950	2.1
67.05503	16.8
69.03421	5.6
69.07067	13.5
70.06574	2.0
70.09475	2.7
71.04968	2.1
77.03938	1.6
79.05494	33.2
81.07056	86.8
82.07400	1.5
83.04974	6.6
83.08609	5.7
85.06518	3.7
91.05477	14.6
93.07043	25.9
95.04980	11.3
95.08599	26.4
97.06518	8.0
97.10134	2.6
99.04491	2.1
99.08078	2.4
105.06358	1.8
105.07030	26.9
107.04945	2.8
107.08594	34.9
109.06525	24.6
109.10159	21.9
111.08073	8.4
115.05386	2.4
115.15841	1.3
117.07005	13.9
119.08576	33.1
121.06480	5.7
121.10140	25.7
123.08077	8.0
123.11716	8.3
125.09619	6.0
127.07604	1.8
129.06999	5.8
130.07750	3.2
131.08563	17.8
133.06456	2.0
133.10115	27.5
135.08032	10.5
135.11699	15.4
137.08727	1.6
137.09633	15.0
139.11168	18.3
142.07796	3.2
143.08571	10.3
144.09351	3.2
145.06462	1.8
145.10123	28.4
147.07994	2.4
147.11690	14.2
149.06046	1.6
149.09616	12.5
149.13255	6.1
151.11159	16.8
151.14836	1.8
153.12747	2.0
155.08543	2.3
156.09323	2.9
157.10132	12.0
158.10869	4.4
159.08037	2.9
159.11694	22.1
161.09630	6.1
161.13208	6.3
163.11186	22.8
163.14812	2.5
165.12727	6.7
168.00479	2.3
169.10123	4.2
171.11681	14.0
172.12453	2.2
173.09605	3.1
173.13263	21.8
175.11154	8.3
175.14801	8.4
177.09122	2.8
177.12758	5.0
179.14223	1.6
183.11662	4.6
185.09634	2.1
185.13264	8.5
186.01598	2.1
187.11137	3.3
187.14819	5.1
189.12726	4.7
191.14305	42.6
192.14586	1.4
193.15860	18.0
195.11714	2.3
197.13229	3.7
198.10556	1.4
199.11194	3.2
199.14789	9.5
201.12733	4.3
203.14272	5.5
205.12190	6.2
209.13239	3.0
211.14792	1.8
213.12692	5.0
213.16336	4.0
215.14291	3.6
217.12357	1.9
217.15891	3.7
219.13828	11.7
220.14594	2.1
221.15373	1.7
223.14812	4.2
225.16365	2.2
227.14305	5.6
229.15677	2.0
233.15311	6.2
240.23129	1.6
241.15829	3.1
241.19489	4.7
245.19078	2.2
255.17366	2.6
255.21074	4.2
259.16946	2.8
259.20541	5.3
265.19537	3.7
273.22064	4.9
283.17542	2.1
283.20523	18.8
286.04691	28.3
301.03674	2.6
301.07004	39.8
301.18021	10.2
301.21576	100.0
301.29037	10.8
302.21957	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	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.67259	1.2
54.28521	1.3
55.05510	17.5
57.03441	1.5
57.07068	6.3
65.03918	2.2
67.05165	1.9
67.05503	26.7
69.07068	20.9
70.06574	5.3
70.49931	3.2
71.08598	2.1
77.03918	2.1
79.05490	29.0
81.03407	4.5
81.07051	27.5
83.04973	4.9
83.08613	12.0
88.07627	6.5
91.05478	29.4
93.03383	2.2
93.07042	68.4
95.04967	12.8
95.08600	65.0
95.09222	2.7
97.06522	4.9
97.10155	4.7
98.22802	1.3
99.04443	3.4
101.32533	1.5
102.09183	1.9
103.05418	2.1
105.04504	2.2
105.06353	2.3
105.07027	30.4
106.08675	2.3
107.04924	2.8
107.08588	69.2
109.06522	7.8
109.10150	53.1
111.04439	10.1
111.08086	6.3
111.11752	2.8
117.07006	10.7
119.08580	30.9
121.06451	2.1
121.10141	61.7
123.04424	3.7
123.08034	2.5
123.11681	9.5
125.05980	10.8
125.09610	5.3
129.06993	3.9
130.07730	1.7
131.08565	14.4
133.10127	18.7
134.10884	2.5
135.04413	8.5
135.08052	5.6
135.11687	38.6
137.05963	3.8
139.06464	1.5
139.07535	26.8
141.15517	1.4
142.07718	2.7
143.08559	7.4
144.09337	2.0
145.06458	2.0
145.10124	16.4
147.08043	3.6
147.11690	9.2
149.06015	3.2
149.13242	18.0
151.07491	2.0
153.09096	25.5
155.08524	1.6
156.09329	1.7
157.10127	8.2
159.08006	2.3
159.11664	11.3
161.09589	2.5
161.13194	2.2
163.14833	6.9
165.09111	1.9
167.10686	3.2
169.10103	1.6
170.10823	1.3
171.11670	5.0
173.09641	5.0
173.13248	4.4
175.11153	1.7
177.09106	2.7
179.10666	6.8
185.09593	2.6
185.13258	2.9
187.11189	5.5
189.09090	3.0
189.12898	1.4
189.16351	2.7
191.10670	20.3
193.12228	5.0
199.11256	1.9
199.14761	3.0
201.12616	1.9
201.16370	1.8
203.10698	5.2
205.12242	30.4
206.12773	1.6
207.13759	3.8
213.12708	2.6
217.12244	19.7
219.13803	10.7
231.13791	23.5
233.15274	4.2
245.15326	16.7
259.16891	4.5
265.19531	1.8
283.20480	7.3
284.29358	2.4
285.83987	1.5
286.04736	3.8
301.06982	3.3
301.18274	4.1
301.21585	100.0
302.21970	7.4
302.30496	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.05507	15.2
57.07059	3.0
67.05165	1.1
67.05498	11.3
69.03421	1.6
69.07055	6.8
69.63478	0.9
70.06582	1.6
71.04978	4.0
71.43294	0.8
79.05478	6.4
81.03391	1.0
81.07051	19.2
83.04980	1.2
83.08604	4.0
91.05479	9.0
93.07039	11.0
95.04974	4.9
95.08022	1.7
95.08601	22.8
97.06522	2.3
97.10166	3.4
99.04441	1.7
102.54367	0.8
103.94385	0.9
105.07017	15.2
107.08585	14.5
109.06493	4.1
109.10156	14.1
111.08078	1.0
115.05387	1.0
117.07008	4.4
119.07747	1.8
119.08574	24.1
121.06467	8.5
121.10142	10.4
123.08055	3.6
123.11708	4.9
128.06293	1.0
129.06953	4.3
130.07724	1.4
131.08566	12.7
132.66451	0.8
133.06474	3.0
133.10120	14.7
135.08064	5.2
135.11681	5.5
137.09598	3.2
141.06979	1.4
142.07758	3.5
143.08545	12.7
144.09312	2.5
145.06520	1.2
145.10114	19.6
147.08038	4.8
147.11656	10.0
149.09584	2.6
149.13252	2.4
151.11156	1.0
155.08527	4.0
156.09306	6.0
157.10127	19.2
158.10939	7.2
159.08037	5.7
159.11687	22.7
161.09613	5.7
161.13248	7.0
163.11209	1.8
168.00531	1.5
168.09428	1.1
169.10107	4.1
170.10861	2.5
171.08047	1.8
171.11670	18.8
172.08818	1.8
173.09625	8.3
173.13248	53.2
174.13608	1.2
175.11165	8.4
175.14900	2.0
177.12729	3.6
179.08717	1.0
181.10089	1.6
182.10936	1.1
183.11671	4.7
184.12459	1.6
185.09656	2.7
185.13249	13.5
187.11157	6.5
187.14806	5.8
189.12744	8.7
189.16377	0.9
191.14265	1.4
193.12267	1.2
195.11702	3.3
197.13245	5.8
199.11218	3.3
199.14793	11.8
201.12727	11.6
201.16354	4.0
203.14383	1.9
203.17860	1.5
205.12213	1.9
207.13751	3.5
208.24103	0.9
208.50609	0.9
209.13240	3.3
210.14030	0.9
211.14822	3.6
213.12787	4.9
213.16302	9.1
215.14328	3.4
217.12257	1.9
223.14714	1.9
225.16402	3.6
227.14276	7.5
229.15813	1.6
231.13890	1.6
236.15584	1.0
241.15828	3.0
241.19470	5.7
243.17403	2.7
245.15376	4.2
253.19495	3.9
255.11348	1.8
255.21022	9.5
265.19501	3.4
271.20563	11.3
283.20572	22.1
284.20837	0.9
286.04697	8.4
301.03604	1.6
301.06989	10.7
301.18488	3.4
301.21579	100.0
302.07300	1.1
302.21860	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	301.2162
Annotation	17beta-Hydroxy-2-methylandrost-1,4-dien-3-one
Peak:m/z	Relative Intensity
55.05504	7.4
55.28411	1.1
59.89795	1.0
63.49666	1.0
67.05223	0.9
67.05507	8.6
69.07072	5.2
70.67258	1.7
70.67564	1.1
79.05501	10.8
81.03384	1.1
81.07052	29.1
82.07361	1.4
83.08623	2.9
91.05465	9.1
93.07039	13.4
95.04944	3.1
95.08604	21.3
97.06527	3.6
105.07022	20.5
107.08583	15.6
109.06506	3.7
109.10139	11.6
111.08064	1.9
115.05417	1.3
117.07012	4.3
119.08581	15.4
121.06495	1.5
121.10137	11.0
123.08039	3.3
123.11709	2.4
128.06201	2.7
129.07028	5.4
131.08551	15.9
133.10126	13.8
135.08028	3.1
135.11665	4.7
137.09561	1.3
141.06949	1.7
142.07759	4.7
143.08554	14.1
144.09366	1.2
145.10106	20.1
147.08035	2.7
147.11688	18.8
149.09644	2.7
149.13235	3.0
153.06969	1.5
155.08501	7.9
156.09276	1.7
157.10106	12.3
158.10909	2.2
159.08029	3.5
159.11685	23.1
161.09648	3.4
161.13252	11.3
163.11084	1.7
163.14659	1.1
165.07013	1.1
165.12770	3.5
167.08528	3.1
168.09323	2.1
169.10083	8.2
170.10728	1.3
171.08070	2.5
171.11681	12.9
173.09584	1.4
173.13248	12.0
175.11192	3.3
175.14809	4.4
177.12779	3.9
179.08595	2.1
179.14265	2.2
181.10109	5.2
182.10934	2.7
183.11679	11.1
185.09679	1.4
185.13252	14.7
187.11191	4.5
187.14798	8.4
189.12733	5.1
191.14328	2.3
195.11673	5.0
196.12444	1.6
197.13243	12.3
198.13977	2.7
199.11215	1.3
199.14781	8.4
201.12807	5.8
201.16338	1.8
203.14287	3.7
205.15816	1.6
206.81718	1.3
209.13196	7.3
210.14085	2.4
211.14781	7.3
212.15527	1.3
213.12762	1.6
213.16359	4.3
215.14275	5.2
216.15100	3.2
217.15900	2.0
223.14847	4.8
225.16414	4.6
226.16951	1.3
227.14241	3.3
227.17961	3.3
229.19490	1.6
237.16370	3.2
239.17912	2.5
241.15765	3.0
241.19473	2.7
243.17340	1.7
243.21135	2.6
245.15358	2.0
253.19510	11.3
255.17400	2.7
255.21059	9.5
257.18997	4.4
265.19479	5.6
270.19977	1.6
271.20566	27.0
273.22092	2.7
275.88464	1.1
283.20535	25.9
284.20871	1.8
286.04654	3.1
301.07089	3.6
301.21603	100.0
302.21976	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	301.2162
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.03935	1.5
53.52970	0.7
55.01861	1.4
55.05507	6.7
56.18496	0.8
57.03422	3.1
57.07064	2.0
65.03915	0.9
65.49773	0.9
66.37042	0.7
67.05499	10.0
67.50101	0.7
69.03415	2.7
69.07060	10.1
70.04324	0.8
70.70581	1.3
71.04983	1.9
79.05488	12.7
81.03409	1.0
81.07051	31.8
83.04977	5.8
83.08608	3.8
85.06540	6.7
91.05474	9.0
92.25085	0.9
93.07045	10.6
95.04955	4.3
95.08598	14.4
97.06506	7.7
98.23389	1.0
98.88320	0.9
99.08090	3.7
105.07021	16.1
107.04944	1.0
107.08588	15.9
109.06534	6.1
109.10149	8.9
111.08079	5.9
115.05386	0.9
117.07014	4.5
119.08572	28.7
119.09428	1.5
121.06494	3.1
121.10138	11.9
123.08067	6.8
123.11713	3.2
125.09612	2.8
127.07513	1.3
128.06183	1.7
129.07001	3.6
130.07756	1.0
131.08557	9.3
133.06470	1.0
133.10126	16.3
135.08075	6.8
135.11685	4.7
135.12581	0.9
137.09607	5.8
139.11163	3.4
141.06967	1.3
142.07817	3.9
143.08548	10.1
144.09308	3.2
145.10106	17.2
147.08037	1.6
147.11664	7.8
149.09625	5.0
149.13278	2.2
149.66321	1.0
151.07571	0.8
151.11180	3.3
153.12743	1.1
154.07741	0.8
155.08521	4.4
156.09325	4.3
157.10123	17.8
158.10873	3.3
159.08058	3.5
159.11676	17.6
161.09601	6.4
161.13223	5.7
163.11176	6.7
165.12776	1.8
167.08611	1.5
168.00536	2.0
168.09222	1.3
169.10117	4.4
170.10881	6.1
171.08009	1.1
171.11684	18.1
172.08881	1.1
172.12358	2.8
173.09602	5.5
173.13269	13.0
175.11189	6.2
175.14806	5.0
177.09180	1.2
177.12718	3.2
179.08557	1.0
181.10127	1.5
182.10863	2.3
183.11685	7.1
184.12398	1.8
185.09616	2.3
185.13260	14.5
186.01530	1.0
186.10373	2.0
187.11168	5.6
187.14804	9.5
189.12675	5.1
191.14285	12.1
193.15819	2.2
194.10809	1.0
195.11676	2.7
196.12506	2.7
197.13249	11.3
198.10500	1.0
199.02298	0.9
199.11163	3.8
199.14815	11.5
200.11899	1.1
201.12737	10.0
201.16380	2.7
202.13342	1.6
203.14282	9.4
205.12213	7.2
205.15904	1.7
207.11720	1.4
208.12453	1.4
209.13226	7.2
211.14775	4.1
212.11832	1.3
213.12743	6.5
213.16318	7.7
215.14288	20.9
215.17801	1.9
216.14754	1.3
217.15817	7.0
219.13783	2.1
220.14557	3.8
221.15263	1.3
223.14793	4.6
224.15475	0.9
225.12802	1.0
225.16379	3.3
227.14262	6.9
227.17934	2.3
229.15901	6.5
231.13770	4.2
231.17323	1.2
233.15274	1.9
235.14787	1.2
237.16286	2.3
239.17917	5.9
241.15858	3.8
241.19499	7.0
243.17419	2.1
245.15363	3.5
245.18988	1.4
250.17087	2.0
255.17493	2.8
255.21056	3.7
257.19000	4.6
259.16861	1.6
259.20523	2.5
265.19415	6.1
271.20505	4.0
273.22116	2.2
283.17325	0.8
283.20532	27.3
286.04730	8.2
301.07101	11.0
301.21594	100.0
302.21960	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.82421	0.9
55.01872	1.7
57.03427	4.5
61.02920	3.3
65.03927	2.9
67.05498	37.4
67.05866	2.0
68.93283	0.9
69.03423	19.9
69.07060	22.9
70.06583	3.2
71.01344	1.0
71.43512	1.1
72.04436	1.0
72.08135	1.5
73.02904	2.2
78.70908	1.2
81.03411	7.0
84.04498	13.9
84.08135	10.6
85.02895	58.1
86.02421	1.2
86.09697	14.2
94.06534	2.7
95.04957	57.4
97.02881	47.6
97.06509	1.4
98.03240	1.2
98.06008	1.0
99.04462	2.9
101.07142	2.4
103.03916	4.8
109.02866	9.5
110.15327	0.9
112.07592	36.1
113.05992	4.9
115.03909	1.2
121.06480	1.1
122.05997	1.9
123.04412	1.4
124.07581	3.4
127.03902	10.1
128.10699	5.5
129.10126	1.0
129.16347	1.0
130.04980	17.3
130.08583	2.4
136.07590	3.4
140.07045	100.0
141.07388	1.6
145.04956	4.4
147.07619	12.9
147.11270	3.9
150.09096	1.1
152.03394	1.1
152.07034	1.7
154.08617	6.9
163.07492	1.3
178.08629	4.0
181.08495	1.0
182.08110	71.4
183.02823	2.6
183.08452	1.7
206.08107	15.9
207.08614	1.1
218.08115	3.0
236.09253	3.1
248.09116	9.5
249.09425	1.4
256.50638	1.1
266.10135	1.0
284.11362	1.4
287.04984	3.6
302.07407	5.9
302.12830	10.2
303.04935	3.9
303.08200	1.4
303.74326	1.0
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
53.03948	2.6
54.70783	2.3
55.05499	9.7
57.03452	5.5
61.02921	4.0
61.24114	2.3
67.05492	9.5
69.03429	14.2
70.06590	4.9
70.70969	2.9
70.71294	2.9
71.04988	2.9
72.08154	81.1
77.77376	2.5
79.05482	8.5
81.03399	8.2
81.07068	14.7
85.02406	5.4
85.02903	100.0
86.09706	23.9
94.06578	2.7
95.04970	10.1
97.02892	46.8
99.04502	2.7
99.06713	2.8
103.03934	3.9
108.08097	20.8
109.02876	14.7
109.06545	4.1
122.05994	7.8
125.05988	8.8
126.05515	9.7
126.09148	5.8
127.03914	16.9
132.10207	7.0
136.07562	25.2
140.07053	49.7
140.08147	3.4
140.14278	3.7
143.11798	40.4
145.04950	12.2
145.16739	2.4
150.09131	9.0
152.07057	20.6
154.08607	6.5
157.13361	4.4
163.05917	2.6
164.07050	21.5
171.11278	24.6
172.65431	2.8
178.08598	16.4
182.08124	87.7
203.13828	2.9
206.08115	40.1
218.08147	3.3
248.09230	9.8
302.07428	6.4
302.19366	3.8
303.05002	4.3
323.89566	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	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	1.7
55.05511	1.2
57.03430	5.0
61.02927	10.2
69.03423	15.1
69.07076	1.9
71.04996	2.6
71.41917	0.9
73.02909	3.9
79.05484	1.1
81.03414	5.8
81.07067	1.0
84.04492	6.2
85.02900	100.0
86.03239	1.2
87.04475	2.4
89.62758	0.9
91.03956	6.6
93.07078	1.0
97.02889	23.2
99.04459	3.6
105.07051	6.7
109.02865	8.1
115.03950	1.1
123.34616	0.8
127.03905	22.7
130.04994	1.2
134.27679	0.9
137.02348	1.2
138.88078	0.8
139.11209	1.1
145.04948	46.0
153.01852	1.2
156.13815	8.7
163.06029	11.1
174.14893	12.0
180.08673	2.0
201.05490	1.2
229.05034	1.1
240.15929	1.7
257.04230	1.2
286.16516	6.9
287.05020	2.2
302.07288	2.4
302.10373	1.6
302.13867	1.6
302.56616	1.0
303.04956	20.9
303.18985	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	302.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07528	0.5
55.05506	5.0
56.05021	0.6
58.31846	0.6
58.58074	0.6
59.95282	0.6
66.51337	0.7
70.06575	2.1
70.83514	1.1
72.08147	100.0
73.08479	1.1
81.03422	0.9
81.07051	1.7
85.02903	2.0
86.09698	24.4
87.10033	0.6
91.24236	0.5
93.07063	0.7
97.02890	1.4
100.07616	1.5
109.10127	0.6
114.09161	1.2
118.08582	0.7
123.11809	0.7
124.11242	0.9
132.10187	6.6
140.07039	1.5
143.11786	67.0
144.12126	0.6
152.07100	0.7
156.87144	0.7
157.13347	7.1
158.11754	3.8
168.13950	0.7
171.11270	25.8
182.08116	2.5
185.12865	3.5
193.12270	0.9
203.13972	1.1
206.08250	1.1
222.18683	0.7
231.16969	3.5
248.09549	0.6
287.05109	1.9
302.04089	1.2
302.07431	2.0
302.16028	1.7
302.19672	4.8
303.05017	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	302.3053
Annotation	Sphinganine
Peak:m/z	Relative Intensity
55.05513	0.4
55.60276	0.3
57.07074	8.7
58.06588	0.8
62.06081	0.8
65.19519	0.3
68.05032	0.3
68.65147	0.3
69.80757	0.9
69.81110	0.4
70.06590	14.5
71.08636	3.6
85.10162	1.0
86.06059	0.4
88.07626	19.0
89.07951	0.4
96.05914	0.3
102.09160	5.0
106.08656	9.5
174.02473	0.3
240.26775	0.5
258.28040	0.7
277.98239	0.3
284.26431	0.4
284.29486	7.4
300.13586	0.3
302.30508	100.0
303.30887	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	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08317	1.4
71.40583	0.4
72.45466	0.4
74.00073	0.4
82.99866	0.6
84.51773	0.4
101.00893	3.0
116.98665	0.5
119.01916	6.6
120.02038	0.6
137.02870	1.1
158.99878	1.6
160.81651	0.4
164.50795	0.5
168.00459	0.6
173.31491	0.5
177.00949	13.7
177.02519	0.9
178.01036	3.2
179.00688	1.3
182.99942	0.5
183.02895	1.7
201.00856	2.1
202.00888	0.6
217.04123	2.7
218.03905	1.0
219.02002	23.4
220.02075	5.7
220.03711	0.5
221.01810	3.3
225.00978	1.9
226.01013	0.6
243.01945	8.3
244.02164	2.4
256.97220	0.5
258.99863	0.8
261.03046	100.0
262.03189	28.5
263.02881	5.3
279.00739	1.2
283.00034	1.4
284.04745	1.0
284.99744	5.0
285.04715	0.8
286.00034	0.6
298.98215	0.6
301.01086	1.8
303.00894	6.6
303.05746	5.2
304.00873	0.8
304.05554	0.8
320.97601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
65.57388	0.3
67.05500	0.3
68.99788	2.6
69.16479	1.4
73.90655	0.3
76.44302	0.3
78.86086	0.3
80.55697	0.2
81.03407	0.9
84.11188	0.3
84.39791	0.3
86.40831	0.3
87.45213	0.2
93.03381	1.1
95.04951	1.3
105.03410	0.4
109.02858	0.9
111.00792	2.1
117.07004	0.4
121.02833	2.3
123.04406	0.8
127.03872	0.4
133.06444	0.4
135.04405	0.8
137.02336	8.7
137.03456	0.6
145.02814	0.4
145.06502	0.7
149.02322	1.2
153.01808	11.8
154.02110	0.3
155.04913	1.1
161.05980	0.5
163.03902	1.2
165.01822	5.1
166.02527	0.4
173.05939	2.2
177.05402	0.4
179.03358	0.4
183.02873	1.7
183.04424	1.2
187.03897	1.0
191.03447	0.4
192.10313	0.2
195.02890	0.6
201.05460	5.1
205.04956	0.4
207.02861	0.3
212.07141	0.3
219.02927	0.3
219.06541	0.7
228.04213	0.5
229.04936	10.6
232.03633	0.3
239.03296	0.3
245.04512	0.4
247.05943	1.6
257.04407	5.8
274.04593	1.5
275.05307	0.4
280.35876	0.3
285.03900	3.3
303.04947	100.0
304.05255	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.53753	0.1
50.93943	0.1
53.03931	0.2
55.01864	0.4
55.93393	0.1
65.03934	0.5
67.01851	0.3
67.05490	0.3
68.81737	0.1
68.99420	0.2
68.99786	2.5
69.03423	0.3
79.05471	0.2
81.03405	0.9
85.02886	0.2
85.44694	0.1
91.05449	0.2
93.03390	0.7
95.04952	0.9
95.08590	0.2
97.02877	0.2
105.03368	0.3
105.07069	0.1
107.04972	0.2
109.02872	1.1
111.00797	1.8
115.05442	0.2
117.07021	0.4
121.02850	2.3
123.04404	0.7
124.24519	0.2
127.03931	0.5
128.06236	0.3
129.06964	0.2
130.60379	0.1
131.04898	0.4
133.02846	0.2
135.04402	0.6
137.02338	7.6
137.03452	0.6
138.02708	0.1
143.04883	0.3
143.08522	0.3
145.06488	0.9
149.02357	1.0
153.01811	10.5
153.74178	0.2
154.02023	0.3
155.04944	1.2
155.06047	0.2
156.13844	0.3
157.06573	0.2
159.04314	0.3
161.05951	0.7
163.03882	1.3
165.01826	4.0
166.02528	0.4
166.45474	0.1
167.03304	0.1
171.02791	0.2
171.08067	0.4
172.08757	0.4
173.05974	1.6
174.14832	0.4
177.01907	0.1
177.05537	0.2
179.03456	0.4
183.02855	1.8
183.04401	1.2
187.03880	0.9
191.03400	0.3
191.06902	0.2
191.55206	0.1
195.02867	0.3
201.05441	4.3
202.05661	0.2
203.05255	0.3
205.04961	0.6
205.06816	1.3
207.02910	0.3
211.03879	0.5
213.05479	0.3
215.03404	0.3
219.02856	0.3
219.06487	0.6
228.04173	0.6
229.04930	9.6
230.05312	0.4
233.04462	0.2
239.03423	0.6
245.04475	0.3
246.05112	0.2
247.05917	1.4
257.04413	5.1
258.05005	0.2
274.04694	1.5
275.05350	0.5
285.03934	2.5
286.04407	0.2
286.16531	0.2
303.04944	100.0
304.05280	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01866	0.5
65.03934	0.8
66.40607	0.3
67.01852	0.4
68.99788	3.0
81.03407	0.7
93.03391	0.8
95.04953	1.0
101.64266	0.3
105.03406	0.5
109.02886	1.4
111.00806	2.3
115.05441	0.3
117.06984	0.4
119.04960	0.4
121.02847	2.5
123.04436	0.9
127.03857	0.5
131.04935	0.5
135.04428	0.6
137.02335	10.0
137.03362	0.5
138.02643	0.3
145.06467	0.8
149.02333	0.8
153.01817	13.7
155.04848	1.6
155.06003	0.3
159.04399	0.4
161.05952	0.7
163.03877	1.5
165.01823	5.0
166.02522	0.7
173.05981	1.5
179.03444	0.5
183.02864	1.8
183.04398	1.5
187.03877	1.1
190.01013	0.3
195.02844	0.4
201.05463	5.9
202.05792	0.3
205.04997	0.5
207.02637	0.3
211.03954	0.4
219.06454	0.7
228.04118	1.0
229.04945	14.1
230.05270	0.3
239.03453	0.5
247.06042	1.6
257.04434	7.1
274.04706	1.7
275.05469	0.6
285.03949	3.3
286.04453	0.5
303.04959	100.0
304.05301	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01865	0.4
64.36280	0.1
65.03934	0.8
67.01846	0.5
67.05490	0.3
68.99787	2.4
69.03419	0.3
69.09240	0.8
69.09545	0.2
76.88052	0.1
81.03407	0.8
91.05447	0.2
93.03393	0.8
95.04958	1.0
105.03366	0.3
105.07009	0.2
106.38293	0.2
107.01274	0.2
107.04963	0.2
109.02879	1.1
111.00806	2.0
115.05447	0.1
117.07010	0.3
119.23746	0.1
121.02854	2.3
123.04419	0.8
127.03886	0.5
129.01736	0.1
129.07013	0.2
131.04924	0.5
133.02863	0.1
133.06458	0.2
135.04417	0.5
137.02338	8.3
137.03433	0.5
145.02843	0.3
145.06488	0.7
149.02327	1.1
153.01814	10.9
154.02168	0.3
155.04904	1.1
155.06044	0.2
157.06482	0.2
159.04425	0.3
160.05217	0.1
161.05951	0.7
163.03883	1.1
165.01828	4.1
166.02606	0.6
173.05978	1.7
177.01743	0.2
177.05453	0.3
179.03421	0.4
183.02864	1.6
183.04401	1.1
184.04994	0.1
185.06010	0.1
187.03868	0.8
191.03401	0.3
191.07028	0.2
194.85234	0.1
195.02936	0.4
200.04608	0.1
201.05446	4.6
202.05754	0.2
205.04883	0.3
207.02853	0.3
211.03891	0.3
213.05484	0.3
215.03349	0.4
217.04890	0.2
217.79579	0.1
219.02887	0.3
219.06555	0.7
221.04472	0.1
228.04178	0.8
229.04945	9.7
230.05261	0.4
239.03339	0.2
245.04500	0.2
246.05186	0.2
247.06013	1.4
257.04422	5.0
258.04761	0.3
261.04044	0.1
269.76657	0.1
274.04715	1.6
275.05386	0.4
285.03943	2.9
286.04477	0.2
303.04956	100.0
304.05313	3.9
304.08777	0.2
317.75900	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.70711	0.2
65.03942	0.4
67.01849	0.4
68.99776	2.1
69.03405	0.2
70.95413	0.3
73.45941	0.2
81.03396	0.5
86.09682	0.9
93.03386	0.5
95.04952	0.9
107.04898	0.3
109.02882	1.0
111.00800	1.7
117.07050	0.3
119.73517	0.2
121.02856	2.1
123.04425	0.4
127.03898	0.4
131.04880	0.4
135.04387	0.5
137.02345	6.6
137.03358	0.5
141.10278	0.2
143.11804	0.3
144.12157	0.3
145.06433	0.7
149.02347	0.6
153.01811	9.9
155.04903	0.9
155.06041	0.2
159.04498	0.3
161.05957	0.7
163.03867	1.0
165.01842	3.2
166.02589	0.6
173.05948	1.1
177.01756	0.4
179.03368	0.5
183.02853	1.4
183.04408	0.8
187.03889	0.6
195.02841	0.5
201.05453	4.3
202.05756	0.3
205.04996	0.4
207.02762	0.3
211.03838	0.3
219.02841	0.3
219.06461	0.7
228.04086	0.5
229.04938	7.9
230.05295	0.4
230.85478	0.2
239.03447	0.3
247.05920	1.1
257.04431	4.6
258.05051	0.3
274.04803	1.4
275.05469	0.5
285.03918	2.4
286.04590	0.3
303.04947	100.0
304.05264	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	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	37.4
57.89502	0.7
63.62208	0.7
69.17319	3.7
69.17728	1.4
69.68402	0.7
70.06584	3.3
72.08154	4.4
74.97637	1.0
84.08139	2.0
86.09695	7.0
97.99172	1.3
98.23492	1.4
98.97576	12.0
110.07160	3.0
116.98615	7.8
117.05775	0.9
121.02991	0.9
124.08701	1.8
129.97766	0.7
132.08096	4.6
134.99648	4.1
142.09764	1.3
144.96864	0.9
148.71048	0.8
156.01208	0.9
168.00516	1.9
174.02248	23.6
174.03712	1.4
183.02885	6.1
185.16521	1.9
186.16739	0.9
188.03804	5.5
192.03304	45.1
204.03262	2.3
206.04883	16.5
210.04349	10.1
215.04906	22.5
216.03210	0.9
217.06487	16.6
220.02838	2.0
222.04364	3.0
224.05969	3.4
229.02802	1.6
231.04413	1.8
233.05975	13.3
234.04286	1.5
235.07491	13.3
236.02306	1.0
240.05571	1.0
243.04407	5.7
247.03844	1.8
257.04413	1.1
258.04361	3.6
261.05444	100.0
262.05737	2.6
276.05389	2.4
279.06500	63.5
280.06711	2.0
284.06995	2.2
303.06155	1.5
303.10455	8.8
303.14005	1.7
303.17493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22140	3.7
56.96559	10.2
58.48390	4.1
59.51905	3.5
69.56313	12.7
70.06589	12.2
77.05883	3.7
81.04541	11.7
83.06097	8.9
84.08128	10.3
86.09679	6.4
87.94553	4.4
93.04543	4.8
95.06069	5.1
98.97574	10.3
101.00861	6.8
110.07161	74.1
113.00877	5.5
116.98615	7.1
119.01913	19.3
119.04992	4.6
120.08092	4.2
124.08689	13.0
127.82551	5.3
129.10219	6.4
130.03491	10.9
130.06519	12.5
131.01900	13.7
133.03447	4.0
133.06107	6.6
137.02962	4.1
141.01564	23.8
142.09711	24.1
143.11818	4.2
144.10188	21.4
147.04437	3.6
148.04613	5.0
155.00179	4.8
157.07613	9.1
158.02998	10.0
168.00580	12.5
175.11972	5.9
176.04073	23.0
177.00891	19.7
180.98190	5.3
183.02843	23.0
185.04262	9.6
185.06915	4.6
186.01599	10.6
192.05051	13.7
198.99232	5.0
204.05069	4.3
210.06126	55.5
214.96402	5.5
217.08278	14.8
219.01996	30.6
220.02089	10.1
221.05074	7.1
222.06126	15.4
233.07753	11.1
234.03664	4.9
235.09238	21.9
243.02003	12.2
246.06004	5.4
256.97485	15.7
261.03003	100.0
261.07089	18.4
262.03177	30.9
263.02945	7.5
266.43112	3.9
278.94193	4.2
279.00464	5.6
279.08261	16.6
285.07367	18.3
285.13474	5.2
298.98560	9.8
303.07773	47.6
303.10770	26.7
303.14331	8.0
304.14999	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.96558	2.6
60.03622	0.8
61.50375	0.8
68.99788	1.7
69.03420	1.5
69.63326	2.0
69.63714	2.0
70.06592	3.7
72.08143	1.0
81.04567	1.5
83.06109	1.6
84.04504	1.8
84.08149	3.3
85.02901	3.1
86.09698	11.3
87.05603	1.3
93.04527	0.9
95.06097	1.2
97.02893	1.0
98.97568	1.3
110.07154	7.7
115.02863	0.8
119.04971	1.5
124.08723	2.7
129.10216	1.6
132.10287	0.9
139.89824	0.9
141.05226	20.2
142.08769	1.2
142.09749	4.5
143.03188	1.5
143.11794	1.0
144.10231	1.0
147.04416	2.3
155.00232	1.0
156.07690	1.5
157.13356	1.3
165.05441	0.9
168.00555	3.3
168.02763	0.8
175.11913	1.8
183.02879	8.9
185.04230	14.3
186.01605	2.6
187.14447	2.0
203.05254	82.9
204.05595	1.6
248.99469	0.8
257.04425	2.8
285.03815	1.1
303.10544	100.0
303.17807	2.8
304.10901	2.7
304.14844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84265	2.1
52.16941	2.1
55.05512	17.8
57.07058	6.0
67.05502	27.0
69.07063	5.1
71.04989	7.6
79.05480	7.6
81.07050	100.0
82.07375	3.1
83.08607	3.0
85.06527	4.8
89.06032	2.7
91.05475	2.6
93.07036	9.5
95.04971	11.5
95.08596	23.9
97.10168	9.5
105.07030	5.5
107.08581	5.7
109.06509	2.8
109.10120	3.4
111.08089	2.9
119.08533	2.8
121.10165	2.3
123.11694	64.5
124.12024	2.3
133.10139	6.8
137.02377	4.5
141.12659	3.0
151.11208	12.3
153.01811	12.2
164.68567	2.4
165.01848	2.6
169.12263	14.1
187.13254	7.8
201.05540	5.9
229.04945	8.3
257.04443	3.9
261.32703	2.4
285.04053	2.4
303.04968	76.4
303.08481	4.7
303.12262	3.2
303.22998	3.2
304.05493	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	303.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	2.0
61.79981	0.3
67.23019	0.4
69.85658	0.9
72.96911	0.3
84.08127	1.6
98.09672	0.4
98.23458	0.4
115.71819	0.3
116.04734	5.2
144.10188	100.0
145.10551	2.3
158.11708	1.6
159.12106	0.6
160.03690	8.9
160.09679	2.2
160.10829	0.8
160.12154	0.5
160.13414	0.4
166.08380	5.2
274.70596	0.4
284.65985	0.4
288.74530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05506	9.9
56.05027	4.0
56.84227	0.6
57.03424	1.9
57.07082	0.9
59.04945	0.7
62.03683	0.7
63.57050	0.7
67.05518	3.1
67.42677	0.6
68.05004	0.9
68.99780	0.9
69.03422	2.2
69.07064	22.6
69.07447	1.1
69.21481	3.2
71.04996	1.3
73.29841	0.6
79.05479	5.8
79.92386	0.6
81.03393	1.0
81.07045	6.1
83.04974	3.2
83.06097	2.8
83.08630	0.7
84.04501	56.5
85.02901	13.5
85.04857	0.7
85.06544	0.7
86.03230	4.5
86.06069	1.5
91.05463	4.2
93.07042	9.5
95.04943	0.6
95.08607	8.5
96.04478	6.2
97.02902	1.4
97.06537	5.0
97.10168	6.8
98.06052	1.7
102.05550	3.2
102.87579	0.6
105.07011	1.6
108.85452	0.6
109.02861	0.8
109.10101	1.0
111.11692	2.2
119.08569	1.0
121.02827	0.8
121.10150	8.1
121.82813	0.7
123.08075	1.3
127.03941	1.3
128.00497	0.6
128.04291	1.2
128.06209	1.1
129.07005	1.4
130.05003	16.4
137.02365	1.1
138.12764	2.4
139.11143	7.0
143.08536	0.8
145.04955	2.2
145.06468	0.7
146.05266	1.8
153.01805	1.4
153.07010	0.7
156.13829	78.6
157.14185	2.1
165.01869	0.8
168.31448	0.7
171.08020	1.0
174.14890	100.0
175.15236	2.1
181.06494	1.4
183.02855	1.4
194.15414	2.4
199.07526	1.4
200.12982	0.6
201.05450	1.0
221.16516	1.7
222.14894	13.7
229.04929	1.6
239.17497	8.9
240.15909	22.2
241.16179	1.0
257.04413	1.2
257.18558	1.5
262.07254	1.1
268.15427	9.8
274.04758	0.7
285.18066	8.8
286.16467	52.2
287.16629	1.9
303.05008	23.7
303.08356	1.8
303.13477	1.4
303.19110	45.5
304.05249	1.3
304.19406	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	303.1953
Annotation	(-)-cis-(R)-allethrin
Peak:m/z	Relative Intensity
53.03940	1.8
55.01858	0.7
55.05505	3.6
57.03437	3.6
57.07059	2.7
59.04984	2.2
62.00443	0.7
65.03935	2.6
67.05500	28.8
68.05850	0.7
69.03419	1.7
69.07061	5.2
70.06596	1.6
70.66433	0.6
70.93467	1.4
71.04983	0.7
73.06544	1.0
79.05482	5.4
81.03411	53.5
81.06553	1.4
81.07047	23.7
83.04980	1.8
83.08601	1.6
85.06526	2.3
88.07607	2.0
89.63348	0.6
91.05474	5.2
93.07034	12.0
95.04961	100.0
95.08595	13.5
96.05305	1.4
97.06513	2.0
100.31362	0.6
101.06068	0.8
105.07026	8.8
106.08709	0.8
107.08581	14.5
109.06519	4.9
109.10148	51.7
110.10493	1.2
111.08102	1.7
113.09673	0.7
117.06985	1.3
119.08569	12.1
121.06478	1.3
121.10135	10.4
123.04420	41.2
123.08064	3.0
123.11690	8.3
124.04675	0.7
125.09615	1.5
127.07534	1.2
131.08537	2.5
133.10114	13.8
133.11028	1.2
135.08160	0.8
135.11679	15.0
137.09599	6.0
139.11151	1.5
141.05446	3.7
143.08510	1.0
145.10141	3.0
147.11670	6.2
149.09622	1.2
149.13268	2.6
151.11157	11.1
151.14819	4.5
153.12749	2.9
157.10100	1.8
159.11647	4.3
161.09569	1.4
161.13258	2.4
163.11201	1.4
163.14827	1.1
165.12729	8.0
171.11653	0.9
173.13272	2.3
175.11174	1.8
175.14795	10.5
177.09102	2.6
177.12743	1.6
179.07005	1.5
179.14333	0.8
181.15852	5.4
187.07521	1.3
187.11121	0.8
189.16495	0.8
191.14326	2.2
193.12212	3.8
193.15860	35.3
197.13179	1.0
201.12646	0.9
201.16422	1.3
203.10661	2.8
203.14317	2.3
221.15375	11.3
227.47690	0.7
231.13744	1.5
243.17349	0.7
257.19144	0.8
259.20627	1.0
267.17416	0.7
267.21170	1.0
272.17731	2.5
285.18695	1.4
285.22079	2.5
302.30563	4.5
303.04984	1.2
303.19559	23.8
303.23184	8.7
303.30829	7.2
304.19925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Dysokusone E
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	1.0
55.05511	10.5
57.07063	3.4
59.04993	3.4
67.05198	1.1
67.05500	10.4
67.54637	1.1
69.03423	1.9
69.07058	15.8
69.80690	1.9
69.81041	1.8
71.04985	2.4
71.08616	1.3
73.14266	0.8
79.05479	11.6
81.07050	38.3
83.04960	2.2
83.08599	4.8
85.06534	13.5
89.30515	0.8
91.05446	8.0
93.07030	17.3
95.04955	4.0
95.08594	26.2
97.06523	16.5
97.10134	2.1
99.08083	5.1
105.04515	1.1
105.07018	23.3
107.08583	25.0
109.06468	4.8
109.10145	17.8
111.08058	5.0
117.07015	5.2
119.08570	46.1
121.06458	1.8
121.10117	20.4
123.08045	4.6
123.11707	8.4
125.09625	5.9
127.34983	1.0
128.06197	1.1
128.23441	0.9
129.06969	2.4
131.08562	16.5
132.08963	0.9
133.10112	26.6
135.08043	15.6
135.11682	10.4
137.09610	4.1
137.13235	1.9
139.11172	3.6
141.06947	1.3
142.07761	1.9
143.08542	7.7
144.09309	1.5
145.10118	28.2
146.10461	1.4
147.08037	2.3
147.11662	21.2
149.09615	4.0
149.13264	5.1
151.11154	6.1
153.01903	1.2
155.08530	2.4
156.09331	2.1
157.10133	10.8
158.10796	1.9
159.08061	2.1
159.11678	53.5
160.12007	1.4
161.09607	18.9
161.13222	11.9
163.11162	3.8
163.14783	3.7
165.12747	9.7
169.10153	4.5
170.10895	3.8
171.11667	14.4
172.12379	1.8
173.09583	3.1
173.13234	25.7
174.10399	2.0
175.11176	20.6
175.14803	9.6
177.12752	7.2
177.16408	2.9
179.14296	1.8
183.11667	9.6
184.12311	1.2
185.13240	10.4
186.10306	1.4
187.11172	4.3
187.14806	16.2
188.11990	1.9
189.12738	24.4
189.16382	3.2
190.13229	1.5
191.14316	7.6
193.15854	7.0
196.12425	1.8
197.13193	6.8
198.31451	1.0
199.14818	10.7
200.11952	1.0
201.12737	12.6
201.16338	11.1
203.14294	32.8
204.14990	4.3
205.15855	9.1
210.13976	1.0
211.14760	5.7
212.15536	1.6
213.16330	3.3
214.13412	1.5
215.14360	10.0
215.17886	12.5
217.15843	10.9
217.19444	1.6
219.17348	1.8
221.15379	2.8
225.16360	4.2
227.17941	3.7
229.15839	10.4
231.17467	2.5
233.15321	1.8
239.17873	1.5
241.19482	7.6
243.17444	18.4
243.21082	9.6
245.19028	1.7
247.16901	1.6
255.20947	2.3
257.18817	2.5
257.22513	2.1
259.20563	12.2
261.18509	11.1
267.21082	7.3
273.22089	7.4
285.22113	49.2
286.22458	3.4
303.04965	6.8
303.19598	4.2
303.23132	100.0
304.23322	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	303.2318
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05501	10.0
58.28304	2.0
58.86792	1.9
60.43917	2.1
67.05497	27.3
68.99779	2.3
69.07059	10.4
73.87183	2.1
79.05496	12.9
81.07056	41.1
83.08607	7.6
90.12759	2.3
91.05485	21.9
93.07050	18.7
95.04968	3.5
95.08612	30.7
95.09160	4.2
97.06516	2.8
97.10112	2.6
103.38925	2.1
105.07016	30.6
107.08591	28.5
109.10140	37.7
117.07018	8.5
119.08578	31.1
121.10117	16.5
123.11714	13.1
129.06947	4.9
131.08536	14.6
133.10123	24.2
135.11694	18.5
137.02341	2.6
142.07788	2.4
143.08556	9.9
145.10120	29.4
147.11679	57.9
149.13252	6.1
153.01811	5.8
155.08534	5.1
156.09300	2.8
157.10117	13.9
159.04451	2.4
159.11674	25.6
161.13266	12.1
163.11201	7.2
165.01830	4.7
169.10146	6.8
171.11664	15.7
173.13258	18.0
175.11179	3.5
175.14816	6.3
177.12775	8.5
183.02834	2.8
183.11623	5.7
185.13229	17.2
187.14819	10.2
196.12457	2.9
197.13222	6.3
199.14828	16.6
201.12778	4.0
201.16344	5.5
203.14212	3.0
209.13443	2.7
211.14796	9.2
213.16394	6.5
215.14395	5.5
215.17865	2.8
225.16338	5.3
229.04948	7.9
229.15808	5.3
239.17805	3.1
241.19514	4.3
255.21049	77.5
255.23737	4.1
256.21442	5.1
257.04364	4.2
257.22540	12.4
267.21042	27.3
285.03983	2.9
285.22101	49.2
286.07507	2.3
286.22382	4.1
303.04980	67.0
303.08420	4.3
303.23141	100.0
304.05124	5.0
304.23398	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
54.44177	1.4
55.05270	1.7
55.05516	29.3
57.03406	1.8
57.07064	4.5
61.24844	1.5
67.05508	9.8
69.06706	3.1
69.07066	36.1
71.45845	1.6
79.05487	6.8
81.07059	24.0
83.08617	12.9
86.09694	12.7
91.05497	10.1
91.05974	1.7
93.07051	21.6
95.04927	3.0
95.08604	30.6
97.05064	1.7
97.10168	15.5
98.23476	2.7
103.05441	7.5
105.07027	26.6
107.08589	25.7
109.10155	25.7
111.11724	12.5
117.06980	5.1
119.08590	25.6
120.08104	98.3
121.08450	4.7
121.10136	20.7
123.08109	2.1
123.11710	12.5
128.10674	5.0
129.07019	2.7
131.08545	12.4
133.10121	24.2
135.11691	13.8
137.13246	5.2
139.11156	2.2
143.08569	2.3
144.09280	1.8
145.10130	26.6
147.11687	40.0
149.13260	18.9
151.11151	2.2
157.10132	4.9
159.11696	47.8
160.12123	2.1
161.13266	49.7
162.13528	2.4
163.07547	1.6
163.14790	7.7
165.12877	1.8
166.08594	2.1
167.10683	3.1
173.13255	38.1
175.14825	13.3
177.12753	2.6
179.10605	2.9
179.14343	2.0
183.02892	4.6
187.14793	26.6
189.16420	4.0
193.12221	17.2
198.09103	2.4
199.14806	2.0
201.16400	23.8
205.12201	13.5
207.13799	18.2
215.11873	2.3
215.17941	8.3
219.06548	4.6
219.13797	16.9
221.15353	5.1
233.15379	9.6
243.11208	8.3
247.16913	4.3
257.22641	100.0
258.23053	4.9
261.18375	1.8
267.21002	3.8
267.70804	1.7
285.12448	8.4
285.22171	13.3
303.04984	12.4
303.23166	97.5
304.05524	1.8
304.23520	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	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05257	1.7
55.05506	24.3
57.07058	4.7
67.05495	13.6
69.07059	38.2
69.64307	3.8
70.06577	1.4
74.15591	1.2
79.05479	8.3
81.07054	28.4
83.08601	6.6
91.05476	9.1
93.07040	20.0
95.04965	1.7
95.08595	39.0
97.10159	12.5
103.81554	1.0
105.06345	2.1
105.07015	29.6
105.07733	1.4
107.08586	26.1
109.09424	1.9
109.10145	31.0
111.11710	13.7
117.06998	4.0
119.08566	31.5
119.09416	1.6
120.08890	1.1
121.10132	19.7
123.08052	1.5
123.11693	9.1
125.09618	1.6
129.06952	1.2
131.08554	13.0
133.10115	33.2
135.08023	1.1
135.11671	14.0
137.13223	4.1
143.08586	1.4
144.09319	1.4
145.10112	24.7
147.11667	46.1
148.12032	1.9
148.47205	1.0
149.05956	1.3
149.13234	20.1
151.11125	3.4
151.14778	1.1
157.10168	1.3
158.10901	1.3
159.10356	2.2
159.11679	35.0
161.13235	56.5
162.13553	2.0
163.14799	8.1
165.12730	1.9
167.10577	2.8
171.11655	1.6
172.12440	1.8
173.13235	31.7
174.13603	1.6
175.14796	12.2
177.16367	1.4
179.10629	7.3
181.12209	1.5
185.13277	1.2
187.14795	17.6
187.33145	1.1
189.16403	1.8
193.12227	28.1
199.14772	2.4
201.16389	21.2
202.16710	1.5
205.12242	8.9
207.13783	24.0
207.15604	2.2
208.14175	1.7
213.16576	1.2
215.17926	7.0
219.13741	10.8
221.15364	2.6
229.19485	2.7
233.15359	6.7
242.24875	2.5
247.16904	4.8
257.22614	100.0
258.22873	5.4
267.21167	2.1
285.22092	11.9
303.04733	1.8
303.07837	2.1
303.23145	91.2
304.23444	6.6
304.28418	2.7
312.97308	1.1
315.46704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03945	1.5
55.05507	26.1
57.07074	4.1
67.05497	10.2
69.07063	38.5
71.08622	1.3
73.24646	1.1
79.05489	6.4
81.07053	20.3
83.08614	10.1
87.87197	1.4
91.05460	7.7
93.07032	18.5
93.07522	1.6
95.08602	31.3
97.10168	12.8
103.05464	1.6
105.07022	23.6
107.08586	24.8
109.06501	1.6
109.10142	24.3
111.11722	10.8
115.07562	1.3
117.07019	4.1
119.08570	26.7
121.10149	19.3
121.41804	1.4
123.11702	11.2
131.04874	1.7
131.08551	12.4
133.10127	28.0
135.11676	14.9
136.80310	1.3
137.13263	3.7
139.11136	1.4
143.08548	2.9
145.10110	19.6
147.10570	2.7
147.11684	38.5
148.12051	1.2
149.13246	15.2
153.01830	1.3
157.10165	3.4
158.10893	2.5
159.11679	43.1
159.12953	2.4
161.13242	59.5
162.13647	2.8
163.14812	8.8
165.12810	2.1
167.10706	1.6
172.12483	1.6
173.13243	39.1
175.14812	12.3
179.10690	1.9
187.14815	23.9
188.15366	1.7
189.16365	2.0
191.10684	1.5
193.12225	20.6
199.14824	2.0
201.16379	23.2
205.12221	9.6
207.13785	28.1
214.27274	1.3
215.17921	7.2
219.06500	2.2
219.13768	16.6
221.15315	3.9
226.07076	1.4
229.04967	1.6
233.15326	9.6
247.16907	5.3
255.11168	1.5
257.04318	1.6
257.11966	6.7
257.22620	100.0
258.22891	6.4
261.18457	2.8
285.22144	11.9
303.04999	11.3
303.12137	1.7
303.23160	94.5
304.23480	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.13590	1.3
54.50844	1.2
54.91318	1.4
55.05507	21.2
57.07065	4.4
61.33401	1.2
67.05504	10.5
69.07065	29.7
69.79057	5.3
71.08615	1.8
79.05491	6.9
81.07046	19.7
83.08625	6.7
91.05466	8.5
93.07036	16.5
95.04961	1.5
95.08602	30.5
97.10161	10.9
98.22709	2.0
105.07021	22.6
107.08590	25.1
109.10155	25.8
111.11705	8.1
117.06969	3.4
119.08573	25.2
121.10139	21.2
123.11700	9.0
125.09575	1.6
126.28143	1.4
130.07742	1.3
131.08560	13.2
132.48347	1.3
133.10129	20.4
135.11700	15.0
135.59587	1.3
136.27837	1.4
137.13205	3.4
143.08553	4.4
144.09264	2.8
145.10124	22.7
147.11681	34.9
149.13240	16.0
153.09085	1.8
155.16153	1.6
157.10104	3.7
159.11681	40.3
160.11928	1.4
161.13252	45.8
163.14798	9.4
165.12776	2.4
167.10600	2.5
171.11685	3.1
173.09853	1.3
173.13260	40.2
175.11124	1.4
175.14809	14.2
179.10658	2.6
179.14088	1.5
187.14810	23.9
189.16388	3.0
193.12215	18.1
199.14871	2.6
201.16376	23.3
205.12184	11.0
207.13797	18.7
214.17140	1.8
215.17946	8.4
219.13774	15.0
221.15460	3.1
229.04990	1.5
229.19585	1.8
233.15363	8.1
247.16980	5.5
257.22632	100.0
258.22934	6.3
259.82278	1.4
261.18488	1.8
285.22131	11.7
303.04999	8.0
303.23141	96.0
304.23450	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	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03946	1.1
53.52113	1.1
55.05256	2.1
55.05507	30.6
55.74417	1.1
57.07067	3.3
59.01680	1.1
63.65803	1.2
67.05502	11.8
67.89600	1.3
69.07063	41.3
69.08697	7.7
71.29662	1.1
79.05492	4.7
81.07050	25.7
83.08614	12.4
90.74040	1.2
91.05479	7.0
93.07034	19.7
95.04944	1.6
95.08595	30.7
97.10155	12.1
105.07016	27.8
107.08582	27.5
109.06541	1.5
109.10147	27.1
111.11718	11.7
117.07011	3.8
119.08572	31.7
120.08908	1.4
121.10131	24.6
123.11696	11.8
125.05943	1.6
125.13264	1.5
130.07722	1.3
131.08559	14.8
133.10117	26.1
135.11688	16.8
137.13260	5.8
139.11192	2.0
143.08577	3.3
144.09308	1.7
145.10123	28.3
147.11678	39.1
149.13258	19.0
151.11192	2.0
157.10110	3.4
158.10931	2.1
159.11693	45.3
160.12035	2.2
161.13243	54.3
162.13574	2.1
163.14795	7.6
165.12779	1.8
167.10719	3.7
171.11606	2.6
173.13251	43.5
174.13901	1.7
175.14818	14.8
177.12816	1.2
179.10654	2.0
181.12299	1.6
187.14793	29.0
189.12668	1.3
189.16386	1.9
191.10606	1.6
193.12230	25.4
199.14810	2.0
201.16380	26.3
202.16734	1.4
202.88391	1.2
205.12234	11.9
207.13806	26.9
213.16318	1.6
215.17924	8.6
219.13760	14.4
221.15373	4.1
227.17935	1.5
229.15895	1.4
229.19528	2.5
233.15352	10.7
247.16881	7.1
257.22617	92.8
258.23026	3.9
261.18472	2.3
285.22113	12.2
303.04898	3.7
303.23160	100.0
304.23471	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03934	2.7
55.05510	26.6
57.03407	2.3
57.07076	5.5
65.03924	3.2
67.05505	16.7
69.03423	13.4
69.07061	21.7
69.39669	4.1
69.40016	11.2
71.08611	2.4
79.05491	35.4
79.82884	2.9
81.07052	100.0
83.04980	31.4
83.08620	16.6
91.05479	13.6
93.07031	19.9
95.04958	5.8
95.08601	35.6
97.06507	4.5
97.10159	6.8
105.07040	20.7
107.04936	2.4
107.08596	36.2
109.06532	15.4
109.10165	21.7
111.08083	30.2
111.11690	3.6
117.07007	4.1
119.08563	35.5
121.06469	8.3
121.10127	28.4
123.08074	30.0
123.11674	5.2
125.09644	2.6
131.08525	7.6
133.06514	2.6
133.10124	22.0
135.08047	40.3
135.11687	12.0
137.09610	28.4
137.13269	5.5
143.08557	4.4
145.10091	14.6
147.08049	8.8
147.11650	20.5
149.09590	9.2
149.13196	6.2
157.10124	7.1
159.08006	3.6
159.11679	15.6
161.09596	8.6
161.13268	31.1
163.09894	2.3
163.11163	6.1
163.14821	10.0
165.09116	5.1
171.11699	4.8
173.09610	4.5
173.13235	16.0
175.11172	9.5
175.14801	16.0
177.12775	5.1
179.14308	3.3
183.02899	4.7
185.13165	5.6
187.11137	4.3
187.14783	13.3
189.12671	6.3
189.16374	5.8
191.14301	4.2
191.45137	2.4
193.12195	4.8
199.14827	4.4
201.16420	13.5
203.14291	26.7
204.14664	2.7
205.15851	6.1
207.13760	9.6
211.14786	2.9
215.14343	4.6
215.17883	2.8
219.13789	6.1
221.15358	24.7
227.18114	4.3
229.15848	5.9
233.15405	3.1
243.20914	2.9
257.22586	30.1
267.21057	5.4
285.22095	15.7
303.08197	2.4
303.11768	6.2
303.15921	3.6
303.19516	8.7
303.23151	75.5
304.23557	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	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05505	8.0
57.07061	1.2
58.06606	0.8
61.90494	0.7
64.20481	0.7
65.17343	0.7
67.05479	4.3
69.03417	0.8
69.07064	15.1
71.43305	1.0
79.05484	2.5
81.07059	6.9
83.04949	0.6
83.08629	2.0
88.07638	0.9
91.05466	4.4
93.07038	4.9
95.08599	12.2
97.06520	0.8
97.10174	4.0
105.07014	8.4
107.08580	5.8
109.10144	9.5
111.11716	6.3
116.44398	0.8
117.07006	1.7
119.08581	9.8
121.06492	1.4
121.10146	6.4
123.11700	2.0
131.08528	4.0
133.10135	7.0
135.08017	2.3
135.11674	3.0
137.05974	2.8
137.13266	1.5
139.11186	1.3
145.10094	6.4
147.11691	10.5
149.09589	1.1
149.13237	3.8
151.07526	1.7
158.10901	0.8
159.08032	2.9
159.11694	9.6
161.13261	18.1
161.75667	0.8
163.07523	1.6
163.14781	1.5
165.09064	1.6
165.12755	1.2
171.08073	0.8
173.09645	0.9
173.13239	8.5
174.14041	0.8
175.07547	1.1
175.14807	4.2
177.09102	11.9
177.12518	0.9
179.10719	0.8
187.07562	4.5
187.14799	6.8
189.09071	1.7
193.12227	8.8
201.16389	5.2
203.10651	14.0
205.12231	2.8
207.13748	9.1
215.10661	4.6
215.17912	1.2
219.13777	2.3
221.15448	1.1
229.12106	1.2
233.15305	2.3
247.16911	1.6
257.04404	2.0
257.22629	23.7
258.23077	1.6
272.17688	10.4
273.18304	2.3
285.18729	1.0
285.22073	2.6
303.04974	3.3
303.19504	100.0
303.23090	26.0
303.30826	2.3
304.19846	6.0
304.23184	1.3
304.29892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05511	16.9
55.74574	3.2
56.05019	5.1
57.07066	10.8
61.17630	3.3
67.05499	15.4
69.07071	42.8
74.06090	8.8
79.05470	4.7
81.07060	28.0
83.05013	3.5
83.08607	9.7
88.07614	22.4
91.05477	6.6
93.07040	22.6
95.08601	36.9
97.06524	3.7
97.10165	9.8
103.01341	3.5
105.07014	26.9
107.08595	26.9
109.10134	46.6
111.11734	13.6
113.63680	3.5
117.06953	5.6
119.08573	27.0
121.10130	26.7
123.11716	14.0
131.08577	15.6
133.10124	25.8
135.04388	5.6
135.11699	17.6
137.13280	7.3
143.08598	5.3
145.10094	19.6
147.11673	44.3
149.13271	18.7
151.11200	4.5
152.07089	11.4
158.46217	3.4
159.11679	36.1
161.13254	58.6
163.14850	9.2
165.12729	4.7
170.61635	3.6
173.13254	28.7
175.14850	11.5
176.82388	3.6
177.09103	10.5
187.07500	4.4
187.14769	18.0
193.12216	31.6
201.16359	26.7
203.10619	10.5
205.12192	10.0
207.13780	26.8
215.10559	4.7
215.17891	8.0
219.13846	11.9
220.91245	3.7
221.15402	6.8
229.62717	5.7
233.15366	12.3
243.25195	7.4
247.16927	14.9
256.26318	5.4
257.22623	100.0
257.25223	6.6
258.22964	7.2
272.17679	10.3
285.22101	11.5
303.05075	3.8
303.19540	83.0
303.23206	92.8
303.27106	17.9
303.30826	19.2
304.19803	6.3
304.23462	6.9
304.28510	11.6
320.56787	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05505	9.6
57.07070	7.8
58.06596	2.3
59.05006	3.5
67.05508	15.4
67.05844	2.1
67.05976	1.4
69.03437	2.4
69.07066	14.1
69.70310	5.4
69.70683	3.6
74.06067	1.9
79.05482	16.0
81.07054	57.4
83.04981	3.4
83.08110	1.5
83.08617	4.3
85.06528	9.0
88.07626	6.3
88.29269	1.9
91.05471	13.2
93.07041	27.2
95.04986	5.3
95.08604	33.0
97.06535	27.0
99.08090	4.2
105.07032	25.8
106.08644	3.6
107.08583	29.9
107.88343	1.8
109.06509	11.6
109.10153	29.8
111.08083	6.8
113.09679	2.1
117.06993	4.5
118.08685	2.0
119.08580	45.3
121.10135	36.9
122.08112	2.1
123.08076	7.2
123.11687	19.7
125.09618	3.5
127.07537	7.3
131.08560	12.1
133.09178	2.9
133.10130	36.6
134.10455	2.0
135.08025	4.0
135.11690	24.8
137.09624	9.7
137.13266	2.5
139.11154	3.4
142.07858	2.3
143.08572	4.4
144.09355	3.1
145.10120	24.4
145.31133	1.8
147.11671	21.1
149.09596	2.8
149.13278	9.0
151.11176	23.2
151.14857	5.2
153.12727	3.0
156.09340	3.2
157.10129	10.1
158.10808	2.5
159.08061	2.0
159.11671	40.1
160.12308	1.5
161.09650	4.4
161.13258	10.8
163.11226	2.1
164.76651	1.7
165.12740	53.9
165.14037	3.4
169.10115	4.7
171.11667	10.3
172.12347	2.4
173.13261	18.4
175.11206	7.6
175.14815	16.4
177.09067	3.3
177.12766	5.8
177.16431	5.7
183.11694	4.9
185.13277	7.4
187.11115	3.0
187.14830	13.3
189.12700	12.1
189.16391	3.0
191.14319	7.9
193.15866	42.4
197.13275	4.7
199.14844	7.9
201.12729	4.0
201.16382	10.7
203.10660	3.5
203.14294	17.2
204.15112	4.0
205.15884	6.5
211.14803	4.2
213.16397	2.6
215.14311	8.1
215.17982	13.7
217.15868	10.5
221.15392	12.1
225.16330	4.0
227.17973	2.1
229.15909	5.1
241.19510	9.2
243.17464	10.0
243.21046	15.5
256.26312	6.0
257.18951	3.3
259.20496	13.8
261.18405	6.4
267.21167	9.8
272.17514	2.8
273.22098	8.9
285.22113	43.5
286.22449	2.2
303.19534	26.8
303.23190	100.0
303.30762	5.6
304.23398	5.8
304.28473	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	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.33471	0.4
53.03935	1.3
55.01872	1.0
55.05503	6.6
56.68182	0.4
56.80620	0.4
57.03412	1.4
57.07067	4.0
59.04996	4.4
65.03941	1.0
67.05169	0.7
67.05503	12.7
69.03426	3.6
69.07064	7.4
70.06588	0.7
71.04983	1.1
71.08630	0.9
79.05046	0.6
79.05488	11.7
81.03399	2.0
81.07053	40.3
82.07362	0.6
83.04978	3.0
83.08607	2.6
85.06540	4.4
88.07626	0.8
90.60207	0.4
91.05466	8.5
93.07040	26.5
95.04971	9.3
95.08602	28.1
96.08920	0.9
97.06525	4.1
97.10166	0.7
99.08076	0.6
101.05991	0.9
101.73684	0.4
105.07023	15.1
107.08588	30.8
108.08911	0.8
109.06512	10.5
109.10152	26.9
109.90459	0.4
110.10498	0.7
111.08089	3.2
111.11713	0.7
117.07010	1.8
119.08575	28.5
120.08913	0.9
121.06519	0.8
121.10140	24.7
122.10416	0.6
123.04381	0.8
123.08076	5.6
123.11705	13.7
125.09591	1.7
127.07552	2.9
129.06993	0.7
130.07722	1.0
131.08575	4.7
133.10123	31.1
134.10420	0.7
135.08037	1.4
135.11684	38.8
136.11998	0.5
137.09607	12.3
137.13261	1.4
139.11162	1.5
143.08585	0.9
144.09198	0.4
145.10123	7.0
147.11667	11.2
148.12036	0.7
149.09589	1.7
149.13254	5.8
151.11176	20.4
151.14807	9.6
152.11475	0.7
153.12743	6.6
157.10130	2.6
159.08040	0.8
159.11696	10.0
160.12473	1.0
161.09607	0.9
161.13264	5.8
161.15338	0.4
163.11183	1.8
163.14792	0.8
165.09088	2.0
165.12749	19.5
166.13077	1.1
169.10081	1.0
170.10851	0.8
171.11668	1.8
173.13229	3.5
175.11215	1.3
175.14819	20.3
176.15155	0.8
177.09099	1.0
177.12709	2.3
177.16347	2.9
179.14293	2.3
181.12228	0.5
183.11722	1.0
185.13257	1.7
187.07466	0.5
187.14793	1.8
189.12703	1.2
189.16309	0.6
191.14302	4.4
193.15871	100.0
194.16171	4.6
197.13208	1.0
199.14856	1.0
201.12785	1.1
201.16339	1.1
203.10667	1.7
203.14320	6.7
204.14919	0.7
205.15878	1.2
209.15338	0.5
211.14740	0.7
215.10826	0.5
215.14342	1.2
215.18001	1.3
217.15865	1.2
217.19707	0.4
221.15350	30.5
222.15706	1.6
225.16446	0.6
229.15895	0.7
243.17374	1.1
243.21054	1.7
257.22757	0.8
259.20541	3.2
261.18463	0.9
261.22156	0.5
267.21042	2.2
272.17584	0.9
273.22116	0.7
275.75018	0.4
285.22159	8.0
285.29590	0.5
286.22446	0.6
303.19528	10.6
303.23157	20.5
303.30765	6.0
304.19980	1.0
304.23499	1.2
323.28250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90529	1.5
55.70814	1.6
57.03422	6.0
58.02980	1.9
60.04520	8.5
61.02922	4.9
68.99789	1.8
69.03429	14.7
69.07060	38.4
70.06583	1.8
70.73763	2.8
71.08627	21.3
71.13671	1.4
73.02913	3.5
81.03426	9.4
84.04521	2.5
85.02900	67.7
86.02425	5.9
86.09683	3.0
94.22356	1.5
96.08129	6.1
97.02890	42.8
97.03496	3.0
97.05967	1.4
97.06530	7.3
97.76381	1.9
99.04452	2.8
103.03925	4.4
107.07320	5.9
109.02869	13.6
114.05527	1.8
114.09164	17.3
114.94463	1.5
124.08733	2.4
125.72092	1.5
126.01060	15.6
127.03912	16.1
138.09160	3.4
142.08630	100.0
142.09653	4.5
144.02092	2.7
145.04996	6.9
150.83740	1.8
156.10228	4.3
171.14980	1.6
180.10095	2.9
184.09683	84.5
187.08850	1.5
198.51100	1.7
208.09700	16.2
220.09787	2.8
230.05193	1.8
250.10704	11.5
286.13031	2.5
304.05371	24.9
304.11511	3.6
304.17303	2.6
305.05823	2.5
305.15533	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04778	2.0
56.05035	31.4
57.07075	31.4
58.06600	20.9
59.20948	1.2
60.04511	4.5
60.89354	1.1
62.28537	1.3
66.66273	1.2
68.05007	1.8
69.20692	5.1
69.21109	2.0
71.08629	19.3
74.06078	32.0
85.10185	8.2
86.06052	5.5
88.07626	3.3
98.23466	2.1
104.07117	2.6
104.99315	1.2
118.08640	10.0
122.08139	53.8
122.09025	2.9
137.05986	5.9
151.99207	1.3
176.89377	1.2
183.82431	1.1
256.26309	4.9
304.28418	100.0
305.11395	2.1
305.28778	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	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52937	0.4
55.05510	0.8
56.05036	11.5
56.33655	0.5
57.06830	0.5
57.07079	8.2
58.06602	6.6
60.04522	2.4
68.05044	0.5
69.07057	0.5
70.70991	0.8
71.08625	4.7
74.06078	12.2
81.07042	1.8
85.10183	1.9
86.06054	1.8
87.96251	0.4
88.07629	38.4
91.05464	0.8
93.07026	0.8
95.08598	1.2
96.08927	0.6
96.27202	0.4
97.06553	0.8
98.06853	0.4
104.07106	0.8
104.99278	0.5
105.07031	0.6
109.06506	0.7
109.10146	0.5
110.10532	0.6
110.52671	0.4
118.08653	6.9
119.08582	0.9
120.08924	0.4
121.10105	0.5
122.08143	7.2
123.11707	0.6
124.07517	0.7
133.10085	0.7
134.10468	1.0
135.11696	0.6
145.10068	0.6
151.11107	0.7
158.10490	0.5
159.11650	0.5
160.12045	0.7
165.12668	0.7
166.13060	0.6
174.13516	0.5
193.15852	0.8
194.16182	1.0
202.64917	0.4
211.36345	0.4
224.23793	0.4
242.24747	0.7
244.21533	0.6
256.26352	36.4
257.26700	1.6
260.25735	0.4
286.22455	1.7
286.27396	2.3
304.23581	3.3
304.28442	100.0
305.28857	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	305.1027
Annotation	METHYL 7-DESOXYPURPUROGALLIN-7-CARBOXYLATE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
68.32344	0.4
70.27413	0.9
85.31772	0.4
88.91292	0.4
90.16296	0.4
137.02324	0.4
247.09717	1.6
287.09201	15.5
288.09167	0.4
295.08655	0.4
305.10245	100.0
306.10562	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	305.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.05510	14.4
55.79767	0.3
57.07073	0.9
58.06596	0.4
67.05502	0.5
69.97057	0.3
69.97424	1.1
70.06588	1.2
71.06936	0.9
79.05502	0.4
81.07042	0.4
83.04977	100.0
84.05300	2.0
88.07620	1.5
89.07958	0.6
91.05454	1.7
93.07038	0.4
98.23425	0.4
102.09204	0.3
105.07040	0.4
106.08689	0.4
109.89404	0.4
110.45625	0.3
115.05460	1.1
117.07025	1.0
119.08615	0.4
120.94847	0.3
125.09632	0.5
131.08598	0.4
133.06450	0.9
135.08090	0.7
137.05933	1.6
145.06482	20.1
146.06857	0.5
147.08032	0.3
174.99985	0.4
203.12834	0.4
231.08138	0.3
273.18436	0.6
278.27173	0.4
282.28961	0.3
286.30188	0.5
304.31171	10.1
305.11334	0.4
305.20969	0.5
305.29056	0.3
305.31528	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	305.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	35.8
56.09433	6.9
57.07078	15.3
57.27383	8.1
60.07248	7.1
62.55067	7.0
62.77378	8.0
67.05509	14.6
69.07062	100.0
79.05503	7.3
81.07050	34.0
82.61354	7.5
83.08617	46.9
91.99390	8.4
93.07042	19.2
95.08614	30.8
97.06519	23.9
97.10147	8.7
101.51437	7.9
107.08579	27.4
109.10161	16.1
119.08573	15.7
121.10146	11.4
129.80626	8.7
131.08566	10.8
132.10194	11.2
133.10123	9.9
135.11674	24.4
145.10162	12.3
149.13255	14.0
151.63490	7.5
153.12747	87.3
171.13799	15.9
225.05267	8.5
234.06587	11.3
262.06305	9.9
305.07913	25.9
305.13614	20.1
305.17557	11.2
305.24759	22.0
306.26538	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	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07626	0.4
53.86729	0.4
56.05030	0.9
57.03418	0.7
67.05502	0.4
69.08672	2.7
71.14024	0.4
73.40919	0.3
75.58822	0.3
79.05512	0.4
84.04496	8.4
84.93262	0.3
85.02898	14.2
85.03416	0.7
86.03246	0.4
86.06013	0.8
86.09692	0.7
87.04448	0.8
91.05465	0.4
93.07016	0.8
95.01308	1.3
98.22686	0.8
102.05528	6.6
104.16533	0.3
112.03929	0.9
113.02370	1.7
118.05766	0.6
118.06535	7.8
121.10156	0.4
130.04990	40.7
130.98639	0.4
131.05339	0.5
132.08083	2.6
133.08835	1.1
134.09589	0.6
136.07573	3.2
146.09628	2.5
150.05809	0.8
152.07060	0.5
164.07068	2.3
167.10655	0.5
176.14328	100.0
177.14656	2.4
202.15863	0.9
216.13821	0.9
234.06732	0.6
262.06287	0.6
288.15936	5.2
290.05649	0.7
305.05402	1.5
305.08102	1.6
305.18546	22.2
306.18903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.28956	1.6
53.03939	2.4
55.01869	4.4
55.05505	13.7
55.87184	1.8
56.05024	2.2
57.03432	19.2
57.07066	7.6
57.84286	1.7
59.04976	2.8
61.66518	1.5
61.84610	1.9
65.03941	3.0
67.05508	19.1
69.03419	6.5
69.07064	100.0
71.04984	5.5
79.05486	17.0
81.07050	23.2
83.01348	3.3
83.04980	7.0
83.08604	7.8
85.06546	3.8
87.08041	1.7
88.07638	10.3
91.05478	26.8
93.07037	46.6
95.04961	5.9
95.08600	32.5
97.06516	26.0
97.10139	2.6
99.04450	6.3
99.08084	1.8
105.07023	31.8
107.08588	84.3
108.74910	1.7
109.06506	13.5
109.10146	50.5
111.08062	3.8
115.07575	8.3
117.06993	5.7
119.08577	35.1
121.06484	5.9
121.10135	68.4
123.08056	12.2
123.11695	11.5
125.09630	9.8
129.07008	4.2
131.08554	32.8
132.10197	2.2
133.10112	44.7
135.08041	15.6
135.11678	28.3
137.09621	11.0
139.11160	8.3
143.08566	11.2
144.09335	5.0
145.10110	21.8
147.08047	2.8
147.11674	19.5
149.06082	2.0
149.09628	15.9
149.13251	29.5
151.11185	12.6
153.09087	6.7
153.12738	6.8
156.09410	2.0
157.10146	5.9
158.10909	12.1
159.11673	4.3
161.09622	7.9
161.13277	5.1
163.11151	11.5
163.14796	27.4
165.12776	2.7
167.14336	6.6
171.11646	3.1
173.09695	1.9
173.13249	60.4
174.13611	2.0
175.11137	6.6
175.14778	2.5
176.11882	4.1
179.10645	15.7
180.11273	2.3
181.12210	8.0
185.13272	4.9
187.14735	4.0
189.12762	12.1
189.16382	2.4
191.14288	89.4
192.14578	4.9
203.14313	25.8
205.12204	2.3
209.15344	66.4
213.16510	2.0
214.21605	9.0
227.17947	3.6
231.13773	6.2
231.17462	7.1
249.14792	2.5
249.18488	6.4
258.24277	3.2
259.20605	3.3
263.16565	2.0
269.19110	3.0
287.20059	17.8
287.23148	3.2
305.17487	4.4
305.21109	81.4
305.24637	5.9
306.21286	3.0
306.22525	2.1
306.26340	29.4
328.40469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86460	4.2
55.01868	5.9
55.05502	61.4
57.07062	5.0
62.46754	5.6
64.39797	4.2
65.03943	4.6
67.05499	55.8
69.07069	30.2
79.05486	93.1
81.07052	98.3
83.04984	6.7
83.08607	20.4
85.06532	10.0
91.05469	100.0
93.07037	76.0
93.30211	4.9
95.04967	14.7
95.08585	47.9
97.06528	15.6
97.10166	14.2
98.22601	7.1
99.08083	4.7
100.60576	4.2
105.04497	7.3
105.07021	79.8
107.04980	12.2
107.08592	40.0
109.06516	13.8
109.10124	13.8
111.08059	7.1
115.05463	7.8
117.07001	40.8
119.08573	44.9
121.06493	13.7
121.10122	32.1
123.08064	13.4
123.11732	5.9
125.09614	8.1
128.06224	17.9
129.06998	28.1
130.07835	7.1
131.08569	89.1
133.06439	8.7
133.10097	28.9
135.08067	7.0
135.11667	20.1
136.78624	4.4
137.05989	5.3
139.11209	13.4
141.07025	6.4
142.07759	8.6
143.08548	66.5
145.10120	83.6
147.08052	12.5
147.11664	12.0
149.09596	15.0
155.08499	7.3
157.10123	27.4
159.11699	21.3
161.09592	13.4
163.11151	12.2
169.10104	13.9
170.12183	5.0
171.11684	19.9
172.25290	5.1
175.11159	9.0
179.14369	5.0
180.85655	4.4
181.10173	10.0
183.11642	11.3
185.13213	11.2
195.11635	14.4
199.11275	5.4
199.14864	8.5
211.14890	6.3
213.12732	6.5
227.18039	10.7
237.16373	13.3
245.19058	8.2
255.17404	12.0
273.18405	41.6
287.19977	12.2
305.21014	16.9
305.31500	10.4
306.00970	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	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74090	0.9
51.65724	0.8
53.03944	2.6
54.57804	0.9
55.01876	6.9
55.05259	1.4
55.05510	17.0
57.03427	6.5
57.07061	2.0
59.05001	1.8
65.03939	6.5
67.05503	69.4
69.03442	5.2
69.06762	1.2
69.07072	12.0
69.16259	6.4
71.05002	1.4
72.04526	7.0
73.06564	0.9
74.00730	0.9
77.03915	1.4
78.22951	0.9
79.05492	32.1
81.03410	2.2
81.07053	41.7
83.04977	10.5
83.08605	3.8
85.06529	3.1
91.05473	29.0
92.05765	0.9
93.07046	31.3
95.04966	100.0
95.08606	21.8
96.05304	1.6
97.06540	6.7
97.10169	1.9
98.06047	1.1
99.08144	1.3
103.05464	1.2
105.04507	1.8
105.07021	24.1
107.04961	15.3
107.08591	21.0
109.06516	27.8
109.10138	7.7
111.08096	5.1
114.09153	1.0
115.05450	2.3
116.06232	1.1
117.07002	7.9
119.08571	9.7
121.06499	8.8
121.10156	12.9
123.08064	3.3
123.11705	3.6
128.06215	1.8
129.06999	5.4
130.07797	1.2
131.08568	15.9
133.06483	3.0
133.10129	12.3
135.08049	22.2
135.11688	8.1
137.05995	6.3
137.09599	2.1
137.13170	1.1
139.11200	1.0
141.06953	1.1
142.07748	1.4
143.08572	10.2
145.06435	1.5
145.10126	9.1
147.08037	7.8
147.11696	5.9
149.09583	4.7
149.13264	10.2
151.11186	6.1
155.08482	1.6
157.10136	4.4
159.11652	5.8
161.09601	5.8
161.13208	2.1
163.11194	3.4
165.12761	1.4
168.08008	1.1
169.10204	1.0
171.11671	2.7
173.13214	2.4
175.11217	2.3
175.14818	2.3
177.12665	4.8
183.11674	2.0
185.13202	2.3
187.11076	2.0
195.11780	1.5
199.14827	1.0
201.12880	1.3
205.12199	2.7
213.16357	1.4
217.15930	2.0
221.15363	4.7
227.17975	2.3
231.13585	1.4
245.19058	1.5
255.17407	3.8
261.22174	1.2
273.18466	25.2
274.18533	1.4
287.23419	1.7
305.20990	15.1
305.24634	3.1
305.30243	2.3
306.27850	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01837	1.7
55.05509	16.8
57.07067	6.5
67.05498	19.9
69.03414	10.8
69.07066	38.1
69.78655	6.5
71.04975	4.3
77.62164	1.6
79.05497	31.3
81.07055	100.0
83.08619	9.3
85.06538	14.6
91.05491	13.5
93.07044	53.3
94.04231	2.3
95.04971	6.3
95.08607	47.3
97.06519	8.1
99.08086	11.7
105.07025	26.8
107.08592	76.1
109.06540	11.7
109.10163	31.4
111.08088	7.4
113.09623	3.0
117.06994	4.4
117.70079	2.2
119.08581	45.7
121.06496	5.6
121.10140	60.2
122.03611	4.5
123.08047	6.6
123.11696	31.1
125.09631	16.5
129.06989	3.1
131.08566	14.5
133.10117	56.0
135.08023	3.4
135.11697	16.5
137.05972	77.1
137.09592	3.6
137.13234	3.6
139.11166	16.2
142.07820	1.9
143.08560	8.0
145.10132	22.1
147.11679	15.1
149.09676	3.1
149.13251	89.2
151.11165	15.7
153.12755	3.7
156.09335	2.7
157.10162	10.1
159.11700	22.5
161.13220	13.2
163.11172	3.9
163.14810	5.2
165.12709	4.7
169.12259	14.5
171.11697	11.1
173.13252	26.4
175.14819	7.6
177.12746	4.7
177.16399	6.1
185.13251	12.6
187.14790	21.0
189.12816	2.3
189.16354	22.5
191.14301	6.4
193.15843	2.7
199.14789	11.8
201.16420	18.6
205.15843	5.8
213.16306	9.3
215.17886	3.7
217.15813	4.3
219.17514	3.3
227.18001	4.1
229.19472	2.6
231.17485	4.0
241.19492	2.6
243.20966	10.4
245.19031	13.1
248.57753	1.9
257.22672	3.0
269.22647	15.2
275.23672	5.7
287.20401	3.1
287.23676	51.0
305.21661	2.2
305.24728	52.7
305.28281	2.6
306.25027	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.59398	1.4
53.03939	2.3
55.05515	11.8
57.07077	7.8
57.36443	1.4
67.05498	17.5
68.57765	1.5
69.03436	9.0
69.07065	30.7
69.53763	6.4
70.06582	3.0
71.04984	2.3
79.05496	29.7
81.07053	94.7
83.08624	4.9
85.06550	10.0
88.07616	3.5
89.07978	1.8
91.05483	13.1
93.07043	48.4
95.04966	5.5
95.08598	43.8
97.06528	8.8
97.10170	2.2
99.08095	9.0
105.07020	18.8
107.08584	75.3
108.08939	1.6
109.06509	12.9
109.10152	25.3
111.08109	6.1
111.11681	2.0
113.09653	3.4
119.08594	16.2
121.06516	2.8
121.10139	58.9
123.08082	4.5
123.11697	26.5
125.09634	9.8
127.07541	2.1
128.08061	1.5
131.08582	6.5
133.10118	39.4
135.08075	2.8
135.11697	12.0
137.05994	6.8
137.09607	1.6
137.13249	4.5
139.11162	12.1
143.08626	2.0
143.10666	1.8
145.10083	9.3
147.11703	7.7
149.09622	2.7
149.13248	100.0
150.13589	2.6
151.11168	19.4
157.10126	2.3
159.11708	13.7
161.13202	7.7
163.11229	3.5
163.14812	4.5
165.12773	5.8
169.12242	18.8
171.11691	4.2
173.13242	15.1
175.14862	3.2
177.12773	4.0
177.16389	6.7
179.14301	2.0
187.14832	11.3
189.16418	2.1
191.14331	4.5
199.14825	5.3
201.16376	15.9
205.15913	3.4
206.16682	2.0
213.16457	3.6
217.16063	2.7
227.17854	1.8
243.21123	4.0
263.10358	1.6
269.22531	3.7
275.23685	6.4
287.23682	16.4
287.30539	3.2
304.31143	7.3
305.24704	30.7
305.31415	36.8
306.24915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
51.11164	1.5
53.03949	1.5
53.42329	1.5
55.01852	1.8
55.05510	25.3
57.07065	7.5
65.80721	1.7
67.05494	20.7
69.03413	2.0
69.07064	33.8
70.08453	4.1
70.08803	2.4
71.04986	2.0
71.08616	2.7
79.05494	12.3
81.07056	37.8
83.04972	2.1
83.08611	19.0
85.06546	2.0
91.05467	10.9
92.05807	2.2
93.07032	25.1
93.35699	1.6
95.04971	4.0
95.08600	54.1
97.06509	4.9
97.10158	7.3
98.06016	2.8
99.08064	4.8
105.07018	24.0
107.08589	38.7
109.06517	7.2
109.10149	39.5
111.08102	9.0
111.11745	4.3
113.09644	3.9
117.06953	2.4
119.08579	39.1
121.06506	2.3
121.10136	40.4
123.08021	9.2
123.11707	21.1
125.09626	2.6
131.08554	7.8
133.10110	33.8
135.08044	8.9
135.11684	22.6
137.09618	5.1
137.13261	6.6
143.08577	3.4
145.10118	12.1
147.11662	20.2
149.09610	5.1
149.13254	15.0
151.11174	5.2
151.14818	3.2
156.06653	1.7
156.09305	2.4
157.10114	6.9
159.11696	19.2
161.09573	2.8
161.13278	17.2
163.11195	5.3
163.14830	7.8
165.12730	1.9
167.10651	2.1
171.11667	8.6
173.13237	15.0
175.11192	4.1
175.14813	15.4
177.12668	3.5
177.16397	10.2
185.13245	7.5
187.14825	10.0
189.12758	2.3
189.16345	9.3
191.14305	3.3
191.17836	1.9
195.13942	2.1
199.14822	4.8
201.16403	5.1
203.14272	4.4
203.17920	9.3
205.15880	6.0
205.19586	4.1
213.16307	6.8
215.17952	5.4
217.15939	5.5
227.18079	3.0
229.19484	5.5
231.17422	7.4
231.21106	2.7
233.19124	2.5
235.16884	1.8
243.21129	3.5
259.24249	8.5
269.22623	21.0
287.23669	57.3
288.24152	2.5
299.35266	1.6
303.61139	1.6
305.24734	100.0
305.30054	3.2
306.24930	3.5
306.27945	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	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.05506	18.6
57.03426	2.7
57.07064	5.2
61.29953	3.1
67.05492	20.9
68.16439	2.8
69.03423	7.2
69.07066	33.2
69.64322	12.2
70.06583	3.7
71.04949	4.5
79.05479	21.7
81.07047	76.8
83.04957	3.1
83.08614	7.9
85.06519	17.4
86.09719	6.0
88.07616	10.1
91.05470	12.6
93.07045	22.7
95.04912	4.3
95.08598	51.5
96.66338	2.9
97.06522	5.2
97.10157	4.1
99.08094	10.1
105.07024	25.8
107.08585	52.5
109.06493	7.4
109.10149	40.5
111.08089	5.7
113.09634	2.6
114.00156	2.7
117.07014	8.7
119.08559	46.4
121.06474	13.9
121.10118	36.7
121.46243	2.5
123.08056	5.8
123.11687	19.6
125.09606	8.0
129.07013	3.5
131.08536	17.2
132.08878	3.4
132.10201	5.2
133.06509	3.4
133.10117	28.3
135.08020	16.8
135.11676	17.6
137.13248	6.3
139.11098	3.1
143.08566	7.4
145.10124	26.1
147.11659	15.9
149.09631	9.6
149.13228	23.3
151.11150	8.4
156.09363	3.5
157.10130	14.2
159.08060	3.2
159.11670	23.1
161.09641	5.1
161.13237	17.2
162.11443	2.7
163.11119	6.9
163.14816	12.2
165.12752	4.1
170.10841	2.9
171.11714	7.9
173.13222	21.1
174.55948	2.6
175.11171	23.5
175.14804	10.7
177.12711	14.4
177.16389	5.8
179.14355	6.6
179.99077	2.5
185.13211	8.8
187.14789	18.4
188.15622	5.2
189.12759	6.1
189.16377	20.4
191.14316	13.2
193.15793	3.1
199.14838	10.4
201.16364	7.1
203.14346	5.4
205.15906	5.1
206.16565	6.4
207.17415	6.5
213.16373	11.3
214.21669	10.0
215.17966	3.8
217.15829	9.1
217.19337	3.1
227.17909	6.6
229.19533	3.3
231.17407	4.6
235.16805	3.0
241.19374	3.0
243.21080	15.3
245.18996	8.8
258.24423	3.2
261.22223	3.0
269.22583	15.0
275.23703	6.3
287.16415	3.9
287.23624	58.9
288.24142	3.9
304.60440	3.1
305.11444	4.1
305.17740	5.6
305.21304	5.1
305.24707	100.0
306.26453	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01856	3.3
55.05503	9.1
57.03416	3.2
58.06929	2.1
67.05494	16.7
69.07052	12.3
69.51230	8.3
71.04980	4.1
79.05482	11.3
81.07052	34.0
83.08610	10.6
84.08102	1.9
86.51080	2.1
88.04000	3.9
91.05470	8.4
93.07043	17.5
95.04966	4.1
95.08609	42.3
97.06528	4.6
97.10175	4.6
99.08086	2.7
99.48544	2.0
105.07025	22.6
107.08589	30.3
109.10156	36.1
111.11721	3.7
117.07021	4.4
119.08585	23.3
121.10119	25.7
123.08099	2.8
123.11697	15.6
125.05914	1.9
125.09569	4.4
129.06970	3.3
131.08577	5.7
133.10107	20.0
135.08076	2.5
135.11696	19.9
137.09552	2.2
137.13252	3.9
139.11198	3.2
143.08504	5.2
145.10066	12.7
147.11673	18.1
149.13235	21.2
157.10136	5.0
159.11710	13.5
161.13243	25.6
163.11118	2.1
163.14795	40.3
165.12688	6.8
171.11723	7.4
173.13281	12.0
175.14821	13.6
175.52916	2.1
177.12639	3.3
177.16417	5.7
179.14287	22.6
185.13228	4.1
187.14822	8.7
189.16418	9.3
191.14282	5.8
199.14848	6.5
201.16342	6.6
203.17889	3.2
205.15869	3.6
213.16289	9.6
215.17906	2.5
219.17470	4.1
229.19464	3.0
231.17320	4.2
241.04849	3.0
257.22684	16.3
259.06091	2.4
259.24255	8.5
262.06104	2.8
269.22617	20.4
275.23682	23.0
276.23993	2.5
287.16595	3.0
287.20346	4.3
287.23669	69.2
288.23947	4.2
305.06955	4.1
305.17422	7.8
305.24734	100.0
306.25082	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	306.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27991	4.6
51.68619	3.9
67.05505	14.5
69.03432	16.4
69.07051	7.3
71.43743	4.2
79.05495	18.3
81.03423	15.7
81.07057	10.8
84.04514	7.6
85.02921	20.3
86.03199	5.3
87.74677	4.1
91.05473	4.9
93.03454	4.3
93.07048	30.6
95.08617	22.5
97.02903	25.7
102.05542	5.5
105.06973	5.4
107.04983	6.4
107.08573	4.8
109.10168	6.7
111.04432	6.1
114.50054	4.1
118.06552	9.3
119.06884	4.8
121.10146	33.2
127.51098	4.3
127.58053	4.2
130.04996	44.3
131.05338	16.2
131.08612	8.2
149.09627	19.0
163.03891	36.5
167.10689	75.0
176.14336	44.0
177.14676	100.0
185.11760	22.4
232.45914	4.4
247.22656	4.4
249.05409	6.6
263.06503	5.9
289.16418	13.3
291.06140	7.4
292.07300	22.6
306.08478	19.7
306.18649	25.5
307.09982	23.4
313.61148	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	0.7
67.05518	0.5
67.09113	0.3
69.07061	1.1
71.18482	0.4
78.00442	0.3
79.05491	1.0
81.07037	0.9
86.15780	0.3
91.05499	0.7
93.07069	0.4
94.04185	2.4
97.06544	0.7
100.07600	0.5
107.08572	0.9
109.06516	0.5
109.10141	0.7
114.09183	0.9
115.92931	0.4
121.12287	0.3
122.03644	8.5
126.09185	0.4
133.10149	0.8
135.11690	1.8
137.05974	100.0
138.06302	1.3
153.12770	1.1
158.04701	0.3
170.15440	2.1
182.15393	2.1
306.20648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44672	0.7
56.16343	0.7
98.23468	1.3
100.48565	0.7
101.00888	2.7
116.10712	1.0
117.03381	0.7
119.01933	6.2
121.01632	0.8
137.02943	1.2
157.01633	1.2
158.99899	1.5
175.02727	0.9
177.00938	14.8
178.01057	1.8
183.01208	1.5
201.00966	2.2
215.02402	0.8
217.04060	1.8
219.01987	24.8
219.04118	1.5
220.02046	1.7
225.00964	2.4
243.01944	9.6
244.02156	1.5
251.04378	0.8
261.03052	100.0
262.03207	8.4
284.04633	4.9
285.03079	2.1
302.97238	0.9
303.04224	2.0
308.18149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01864	14.1
55.05503	14.7
57.03448	1.9
57.07064	7.2
57.12447	1.7
58.15107	1.9
58.99576	7.2
62.06091	1.8
62.99075	19.9
67.05520	10.1
69.03416	3.5
69.07064	100.0
69.28320	11.0
70.02943	3.9
70.04073	3.2
71.07566	1.9
73.01144	2.8
74.00663	8.9
76.02222	5.0
76.04006	4.6
79.05471	4.2
80.66900	1.8
81.03411	12.3
81.07054	6.2
83.08603	4.5
84.04501	13.0
84.08138	2.3
85.04021	3.6
86.99052	6.0
87.02685	28.0
88.02229	10.1
91.05490	2.8
93.07024	4.4
95.04897	2.1
95.08597	5.1
97.02888	2.0
98.22699	4.5
98.98467	3.1
99.02647	2.9
101.04247	3.6
102.09177	19.2
105.07012	2.8
107.08547	2.2
109.02853	2.5
109.10163	4.3
111.05535	1.7
111.11702	11.3
112.03959	16.5
116.01676	34.3
117.03403	2.3
119.08495	2.2
121.06543	2.7
126.01080	3.1
126.18043	1.6
130.04997	62.0
135.04401	4.5
143.08922	14.8
144.01143	12.5
145.02863	4.8
145.06099	3.3
159.08333	4.7
161.09961	24.7
162.02179	63.3
163.03862	19.1
173.05943	2.8
174.02171	2.0
177.03276	8.5
177.05505	2.7
186.13087	3.7
187.11507	2.5
203.04471	2.0
221.05824	2.1
250.31046	1.9
272.13126	30.7
290.14212	20.6
292.07227	2.5
306.15604	1.7
307.08365	9.4
307.12833	2.8
307.16483	2.2
308.18607	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.3
58.06605	5.1
69.31631	4.8
70.04062	1.0
72.08154	1.2
75.02707	0.9
78.24142	0.9
84.04498	32.2
84.08138	100.0
85.02884	1.1
85.06570	1.0
85.08461	1.5
86.06061	10.3
86.09711	6.5
86.47860	0.9
88.03977	6.6
93.11938	1.0
93.94994	1.0
96.04503	1.1
98.98460	1.0
101.07135	1.4
114.27039	1.0
120.05720	1.3
120.29427	1.0
130.04990	2.2
130.08665	1.6
134.24786	0.9
141.13881	8.7
144.10196	1.6
145.08383	1.3
146.03618	5.4
146.05989	4.1
155.01102	1.2
161.05968	16.0
163.03946	1.0
169.13356	11.7
178.08603	1.9
189.79401	1.0
215.13902	45.8
243.17017	45.6
243.19522	2.2
251.95702	0.9
262.11047	2.7
262.28320	0.9
290.10135	1.8
307.12796	2.6
307.16800	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	307.2268
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03942	3.3
54.67909	2.2
55.01881	12.1
55.05512	32.1
57.03434	3.4
57.07082	2.5
59.05004	3.9
65.03948	5.3
67.05505	84.7
69.03428	4.9
69.07066	31.2
69.44974	10.1
70.04081	14.7
71.04996	19.0
71.08626	2.2
73.06565	2.6
79.05491	70.7
79.05955	4.2
81.03402	4.8
81.07055	100.0
83.04980	23.1
83.08624	11.6
85.06533	10.3
91.05479	56.5
93.06448	4.0
93.07038	55.0
95.04968	30.4
95.08604	53.2
97.06530	31.7
97.10167	5.7
98.23418	4.2
99.08102	6.5
103.05509	2.5
105.04517	4.7
105.07024	57.2
107.04950	4.5
107.08588	33.1
109.06519	44.4
109.07233	3.4
109.10163	15.0
110.89554	1.8
111.04418	3.4
111.08092	8.8
111.35644	2.0
115.05431	2.2
117.07035	9.0
119.08569	35.5
121.06552	4.1
121.10137	24.6
123.08062	54.3
123.11693	9.9
125.09655	4.9
129.07025	5.1
130.07890	1.9
131.08537	18.7
133.10135	23.0
135.08060	5.6
135.11676	10.2
137.05989	6.9
137.09625	17.2
137.13263	3.5
138.06239	2.7
139.07542	3.8
143.08521	3.9
145.10117	15.9
145.33116	2.1
147.05646	2.2
147.07962	2.7
147.11670	24.6
149.09621	5.8
149.13287	5.9
151.11191	13.0
157.10117	4.8
159.11700	8.4
161.09662	2.2
161.13295	10.6
163.11168	4.3
165.12723	16.3
171.11729	4.4
173.13293	8.1
175.04951	2.3
175.14841	2.7
179.14278	2.8
183.11742	3.3
189.12759	4.6
197.13309	3.8
201.12712	2.1
203.04550	17.0
207.13785	2.7
213.16385	3.4
229.15805	2.2
239.17889	4.4
247.20593	2.7
251.16258	4.1
257.19095	5.7
261.03101	2.2
261.22275	1.9
263.20102	2.8
275.20056	17.5
279.19537	2.7
289.18210	4.1
289.21597	14.6
307.10745	8.8
307.19217	6.3
307.22696	62.2
308.15363	2.2
308.23004	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	11.7
55.05508	34.5
57.03446	4.3
57.07075	2.7
59.04986	2.5
61.40136	1.8
65.03926	2.4
67.05499	79.6
68.05837	3.3
69.03442	3.5
69.07062	32.8
69.19360	6.1
69.19769	5.9
70.04071	4.4
70.07382	2.5
71.04993	4.3
73.02933	2.1
79.05487	50.9
81.03435	8.2
81.07050	79.7
82.07404	4.6
83.04989	8.8
83.08617	16.2
85.06538	6.5
91.05472	46.4
93.07045	42.6
95.04966	41.0
95.08602	52.5
96.08872	2.5
97.06519	10.6
97.10182	7.6
98.06065	14.1
98.23443	3.9
99.06384	4.5
105.07028	41.6
107.04946	9.5
107.08583	25.3
109.06518	18.8
109.10142	24.7
110.10526	2.6
111.08076	6.2
117.07005	12.6
119.08577	43.2
120.08948	2.2
121.06538	6.2
121.10130	18.2
123.08075	17.4
123.11720	7.0
125.09659	5.3
129.07039	2.1
131.08539	15.5
133.06462	2.8
133.10117	31.3
135.08029	10.2
135.11673	9.5
137.09605	13.0
143.08537	4.7
145.10120	16.3
147.11676	19.5
149.09596	10.8
149.13237	4.5
151.11160	10.8
157.10121	4.1
159.11641	10.8
161.09691	2.9
161.13272	5.0
161.65886	1.9
163.11201	6.4
165.12761	7.3
167.10797	1.9
169.10194	2.9
171.11670	4.6
173.09595	2.3
173.13214	9.7
175.11354	4.0
177.12846	2.7
179.10652	2.5
183.11775	2.2
191.14355	2.6
197.13315	2.3
201.12904	3.7
203.04539	10.7
215.18034	2.3
229.19562	5.4
239.18030	4.2
247.20630	11.0
257.18936	10.8
275.17035	5.0
275.20047	83.7
289.21683	10.7
306.28006	5.3
307.10825	6.8
307.22891	33.3
307.28299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03950	2.7
55.01875	12.5
55.05510	34.6
57.03431	6.4
57.07061	3.8
59.04988	3.0
65.03926	4.3
67.05504	75.2
68.05828	3.4
69.03425	5.3
69.07064	38.4
70.04083	12.1
70.04774	6.8
71.04986	6.7
71.74126	2.2
73.06577	3.2
79.05490	44.5
81.03408	10.4
81.07055	93.1
83.04966	8.8
83.08626	15.1
85.06538	5.7
91.05478	45.2
93.07050	53.9
93.45301	2.3
95.04965	60.2
95.08604	53.6
95.79790	2.0
97.06517	13.8
97.10142	4.8
98.06046	4.1
99.00802	2.0
102.27618	2.2
104.85434	2.1
105.04456	3.6
105.07027	50.4
107.04953	7.1
107.08598	29.2
107.93191	2.5
109.06515	23.6
109.10146	22.3
111.08101	6.7
117.07029	14.5
119.08569	41.4
120.08943	2.4
121.06519	8.4
121.10138	23.1
123.08063	33.7
123.11694	8.8
125.09628	4.3
129.06989	6.4
131.08583	19.9
133.10112	35.0
135.08058	9.6
135.11684	12.2
137.09612	15.2
143.08527	5.9
145.10110	16.8
147.05492	2.5
147.11681	30.1
148.03908	2.6
149.09589	13.1
149.13254	6.4
151.11176	9.0
157.10107	6.8
159.11716	15.9
161.13222	10.2
163.11151	10.4
165.12703	5.2
169.10126	2.6
171.11667	3.7
173.13263	14.5
175.11201	5.6
175.14891	2.7
177.12776	4.3
183.11676	4.9
185.13142	3.5
187.14932	2.4
193.12228	2.4
197.13127	3.2
201.12764	7.1
203.04501	25.8
207.13852	4.1
217.91075	2.8
219.17534	6.0
229.19444	6.2
239.18057	5.5
247.20517	12.0
251.16356	4.1
257.18967	11.4
263.19803	2.7
275.17023	5.1
275.20059	100.0
276.20383	6.5
289.21606	15.6
307.10770	18.0
307.22720	50.8
307.28165	46.2
308.22787	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	308.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.05033	0.3
58.06596	2.3
60.42509	0.3
62.06085	15.9
69.03419	0.4
69.07055	0.5
69.36163	1.3
70.04073	1.7
72.08153	0.6
77.48105	0.3
79.05501	0.3
83.04962	1.4
84.04505	0.3
84.08141	8.4
84.99215	0.3
91.05474	0.6
93.07025	0.3
97.02898	0.3
102.09174	100.0
103.09517	1.1
104.95421	0.3
105.07030	1.1
107.08560	0.4
115.05428	0.8
117.03356	0.6
117.07003	2.1
119.08547	0.7
121.06522	0.3
128.06223	4.6
129.07001	3.6
130.19972	0.3
131.08577	0.3
133.10114	0.4
135.04428	0.8
135.08032	3.5
143.08528	0.8
145.02806	1.8
145.06477	8.0
146.06758	0.3
147.04399	0.5
147.08044	0.8
149.05951	0.4
155.06061	0.5
159.08055	0.5
161.05952	0.9
163.03865	1.5
163.07516	1.5
165.09105	0.4
171.08055	4.9
173.05974	7.2
173.09651	0.4
177.05438	2.3
187.07445	0.4
187.11162	0.4
189.09074	0.4
190.20135	0.3
191.06987	2.0
191.10719	0.3
201.12801	0.6
211.11171	0.4
229.12227	3.6
230.12680	0.4
232.29761	0.3
290.17493	0.5
308.15369	0.4
308.18539	6.9
315.89670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.01564	0.2
55.05486	0.5
57.07063	0.8
58.02957	0.5
62.12777	0.2
64.39176	0.3
65.03941	0.3
66.04707	0.4
67.05492	0.8
69.07059	1.1
69.93877	0.8
70.04076	6.4
71.08618	1.2
79.05487	1.3
81.07060	2.9
91.05486	0.9
93.07043	0.9
94.04182	2.6
95.04967	0.5
95.08588	1.2
98.17431	0.3
99.08075	0.4
107.04933	0.5
107.08582	0.8
109.06526	1.4
109.10152	0.5
109.52444	0.2
112.07426	0.2
113.07249	0.3
113.40231	0.3
119.08630	0.4
121.10157	0.3
122.02885	0.2
122.03638	8.0
137.05969	100.0
137.13234	0.7
138.06319	2.3
140.28215	0.2
155.14313	0.4
165.12709	1.2
171.71593	0.2
172.16949	1.8
175.14798	0.3
184.16975	2.8
193.15828	0.3
195.15665	0.2
291.23166	5.8
292.23459	0.5
308.15237	2.0
308.18527	0.4
308.22336	0.7
308.25876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05499	0.7
57.07079	0.3
62.51453	0.2
67.05492	0.8
68.05006	0.3
69.07052	0.3
69.18693	1.7
70.03734	0.3
70.04073	3.5
70.06191	0.3
70.06583	5.0
75.26031	0.3
76.02230	0.3
79.05474	0.6
81.07041	0.9
91.05462	1.0
93.07016	1.0
95.08591	0.5
96.08125	0.5
105.07029	1.8
107.08530	0.4
112.06064	0.2
115.05431	0.4
117.06979	1.1
119.08552	0.9
120.08073	1.7
128.06178	0.4
129.07008	1.3
131.08562	2.9
133.09967	0.3
134.09641	1.6
141.06964	1.7
143.08533	1.3
144.09312	0.7
145.10112	2.2
153.06987	1.0
154.07695	0.9
155.08531	1.2
157.10046	0.5
158.10738	0.3
165.07069	0.4
166.07840	0.4
167.08531	1.3
168.09279	1.3
169.10118	5.8
171.11687	0.5
173.13248	2.9
179.08618	0.4
181.10107	3.5
182.10881	0.8
183.11610	0.9
195.11668	1.8
197.11537	0.5
197.13240	4.8
204.04749	0.3
208.11060	0.5
209.13246	0.3
210.14072	0.5
211.13504	1.2
212.14331	0.7
222.12770	1.2
224.14378	1.1
227.88980	0.3
235.13541	0.6
236.14304	5.5
237.15080	0.8
238.15880	0.6
248.14484	0.4
250.15892	3.5
251.16566	0.6
252.17432	3.4
262.02972	0.3
262.15994	0.4
263.16687	0.3
264.17432	2.8
265.18213	0.6
266.18964	0.5
278.19016	3.4
279.19736	2.6
280.20319	0.3
290.18579	0.3
292.20575	0.8
306.22198	2.1
308.23682	100.0
309.14545	0.3
309.20773	0.6
309.24072	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69751	2.4
52.91356	2.5
53.03944	16.7
55.01871	15.4
55.05502	4.8
57.03426	13.3
61.02931	4.9
65.03941	10.7
66.59609	2.6
67.05505	10.2
68.36898	2.3
68.99773	5.9
69.03426	79.4
71.01367	8.7
71.04993	7.1
73.02906	2.7
77.03934	3.5
79.05498	32.7
81.03414	63.4
81.07050	48.5
83.01334	5.5
83.04987	15.5
85.02902	32.7
91.05475	83.0
93.07027	17.3
95.01309	6.6
95.04964	76.0
97.02887	40.7
97.06549	5.1
98.53074	2.5
99.04449	12.3
101.02377	5.4
103.05457	4.3
105.04576	2.6
105.07053	16.3
107.04957	17.1
107.08581	2.7
109.02874	21.8
109.06516	63.0
111.04449	12.5
115.05447	4.7
117.06979	13.4
119.04935	78.2
119.08621	2.8
121.02850	9.4
121.06510	16.6
123.04421	21.2
125.05990	7.3
127.03018	4.0
127.03900	28.2
128.06235	8.0
129.01875	4.1
129.06999	6.1
131.04930	6.5
133.06488	12.5
135.04384	13.5
135.08049	5.0
137.05971	100.0
138.06339	3.2
139.03906	5.4
141.05443	2.9
141.06960	2.8
143.08495	3.2
145.06496	11.1
147.04396	94.5
147.08131	4.3
149.06012	24.1
153.05490	4.8
155.07069	3.2
157.06462	4.1
159.04366	3.0
159.08057	2.7
161.05942	15.5
161.09703	3.4
161.62915	2.6
163.03914	9.4
165.05469	90.7
167.07083	2.9
171.08032	5.1
173.04529	5.6
173.06032	7.7
175.07538	7.5
177.05476	10.2
183.06532	26.9
185.05867	3.7
187.07593	4.1
189.05458	9.2
191.07053	8.8
199.07593	6.3
201.05585	3.1
203.07016	6.3
207.06448	3.6
217.08525	3.5
219.06622	7.8
233.08063	4.5
233.88829	2.8
245.08231	5.7
249.07513	4.4
261.07571	3.7
263.09128	4.2
273.07660	3.0
281.10251	4.7
291.08585	12.0
309.09641	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72856	0.2
55.05497	1.2
56.38150	0.2
57.03432	0.2
57.81085	0.2
63.02353	0.4
69.03426	2.7
69.65833	0.9
71.01321	0.4
71.04975	0.8
79.05474	1.6
83.04973	4.5
85.02908	1.6
87.04505	0.2
89.03903	7.7
90.04264	0.3
95.04967	0.4
99.04440	0.3
105.34055	0.2
107.04936	1.9
111.04446	2.1
115.05514	0.3
116.33616	0.2
117.03368	9.5
123.04411	0.9
127.03897	0.5
129.05472	0.4
131.04938	0.3
135.04399	19.1
136.04674	0.3
145.02834	13.6
147.04402	0.4
149.05956	0.5
150.10010	0.3
157.06366	0.2
161.06001	0.2
163.03882	100.0
164.04233	2.8
165.04219	0.4
165.05463	1.0
175.92322	0.3
177.05417	0.6
181.04875	0.5
203.06956	0.3
205.04790	0.3
217.04918	0.5
245.08197	0.3
249.07591	0.4
273.07468	0.8
291.08630	1.0
309.09604	3.7
309.12744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90911	0.4
55.01869	1.3
57.03436	0.9
59.04993	1.6
62.27881	0.5
69.03429	10.5
71.01376	0.7
81.07055	0.6
85.02912	4.2
89.03915	7.3
89.33131	0.5
91.05484	1.1
97.02890	10.4
98.23480	1.6
106.04109	0.7
115.03929	3.1
117.03375	26.1
118.03682	0.5
119.04912	0.7
131.46800	0.5
134.03606	2.0
135.04402	1.9
137.05949	1.0
145.02843	65.2
146.03171	1.4
147.04396	2.1
149.05989	8.7
162.03198	0.6
163.03922	1.1
177.05464	100.0
178.05774	2.5
186.05510	1.0
189.05542	0.6
195.89027	0.5
231.06496	5.5
254.77498	0.5
255.06561	0.6
255.40358	0.5
273.07339	0.5
291.08572	5.5
309.09622	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70408	0.3
52.38616	0.4
53.03946	1.9
54.40491	0.3
54.75029	0.4
55.01857	1.0
55.05506	1.1
57.03425	1.4
57.07058	0.3
65.03925	1.4
66.98750	0.4
67.05490	1.5
69.03427	6.2
69.07050	1.4
69.20158	2.0
70.04083	0.4
70.06567	0.5
71.04976	1.0
73.02908	0.6
76.41240	0.3
79.05475	1.2
81.03412	16.5
81.07053	3.1
83.05001	0.4
85.02890	5.3
89.03940	0.4
91.05471	11.1
93.07043	1.2
95.04988	0.9
95.08598	1.4
97.02866	1.3
98.98443	1.7
99.04440	1.6
100.07597	1.0
105.07027	1.0
107.08591	0.8
109.02187	0.6
109.02866	7.4
109.06511	1.1
109.10112	0.6
111.08037	0.5
119.04932	27.9
119.08588	0.8
121.02880	0.6
121.10141	0.4
124.27114	0.3
127.03923	2.4
130.06419	0.3
131.08600	0.4
137.09618	0.3
142.12241	0.5
145.10187	0.5
147.04393	100.0
148.04697	2.3
149.02235	0.5
149.13240	0.4
163.03929	0.7
165.05499	3.9
167.03416	0.7
171.14993	0.5
177.01778	1.3
177.05396	0.4
195.02863	0.9
198.37596	0.4
205.01306	1.3
223.02406	0.8
246.23457	0.3
291.08609	15.6
291.19583	0.8
292.08893	0.6
302.00259	0.4
308.26886	0.7
309.15030	0.6
309.20782	0.6
309.27954	0.3
310.24750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05504	0.6
56.57455	0.5
57.03413	0.8
58.06653	0.5
59.04984	0.5
62.06093	2.4
67.05500	0.7
69.03073	0.6
69.03425	10.6
69.07051	0.7
69.89515	0.6
69.89838	1.1
71.01335	0.5
79.05494	1.2
84.08133	0.8
85.02882	4.0
89.03909	6.6
91.05448	2.3
91.76763	0.5
93.07008	1.2
95.04949	0.6
95.08578	0.9
97.02882	9.0
97.05136	0.4
102.09171	11.7
103.09492	1.8
105.07011	0.7
106.04149	0.7
107.04893	0.5
107.08563	0.5
109.06514	0.7
110.47150	0.5
115.03934	4.2
117.03368	25.1
119.04930	0.9
128.06194	1.0
129.06987	0.9
134.03604	2.3
135.04384	1.7
137.05954	1.4
141.06932	0.6
142.07707	0.6
143.08533	0.7
145.02829	63.4
146.03163	1.6
147.04372	2.1
149.05962	7.9
161.06013	0.6
163.03947	3.1
165.09123	0.9
165.10928	0.5
171.07970	0.6
177.05450	100.0
178.05791	2.1
195.06459	0.8
231.06496	6.6
273.07651	0.6
273.11066	0.6
291.08618	7.2
291.19318	0.6
309.09341	3.3
328.25366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
57.03423	0.7
65.03924	1.3
67.20504	0.5
69.03413	0.6
70.04066	1.4
70.06580	2.2
71.04993	2.5
71.43213	0.6
72.08160	0.9
79.05472	0.9
81.03414	0.8
83.01292	0.6
83.04984	4.7
84.08128	1.4
85.02898	0.7
86.27998	0.5
89.03890	0.6
91.04942	0.9
91.05474	11.8
98.06081	0.7
99.04446	5.0
100.07616	1.3
101.05874	0.6
105.90491	0.5
107.04919	0.5
107.08589	1.0
111.00825	0.9
117.03369	0.9
118.45184	0.5
119.04936	28.7
120.05214	0.6
120.08119	0.6
126.01105	0.5
127.03926	2.4
131.06873	1.5
135.04350	0.8
142.12297	0.8
145.02846	1.9
147.04398	100.0
148.04755	3.0
158.06001	0.5
159.06329	0.5
163.03935	3.7
165.05518	3.1
166.08395	1.4
177.05449	2.2
177.07339	1.4
221.06036	0.7
223.07806	0.7
263.09265	1.0
289.52908	0.5
291.03973	1.1
309.09940	4.4
309.14838	1.2
310.24985	2.4
318.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02985	0.3
56.03771	1.7
57.03454	0.3
59.03735	3.7
61.02922	0.6
62.59599	0.3
69.03413	1.5
70.92510	0.3
70.92834	0.2
73.04025	1.1
81.03387	0.7
81.07045	0.2
85.02902	2.5
86.42195	0.3
92.58944	0.2
97.02879	1.2
101.05872	100.0
102.06198	0.6
102.20464	0.2
109.02844	0.5
117.05361	0.5
127.03892	0.8
129.04045	0.4
137.05917	0.3
145.04974	0.5
147.05118	34.4
162.63661	0.2
165.05450	0.4
169.14644	0.2
229.29724	0.3
263.02850	0.8
309.10294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03373	0.9
55.01873	1.2
55.05507	2.8
55.36518	0.9
57.03430	10.0
59.05007	2.3
61.02925	2.7
66.81010	0.8
69.03424	3.5
69.44356	5.2
70.04081	2.4
71.01352	1.2
71.04987	23.1
73.02905	5.5
75.04485	12.1
81.03423	1.6
81.07055	1.6
83.04977	6.3
85.02899	100.0
87.04469	2.7
91.05446	1.5
97.02886	4.6
98.22723	1.2
99.04426	1.5
101.06004	1.1
105.37437	1.0
109.02908	1.1
109.06513	1.9
111.04450	3.1
119.04947	1.5
121.06445	1.1
123.04420	1.0
127.03935	4.3
129.05476	23.7
137.05971	2.4
142.08667	2.1
144.99303	1.7
146.06020	1.5
147.06511	12.2
147.32379	1.0
148.11186	2.2
163.03963	2.3
165.05478	2.6
166.08376	1.9
187.03708	3.3
253.68968	0.9
265.09750	1.0
276.56808	1.0
296.75729	0.9
309.04102	6.2
309.09125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22556	1.0
53.00299	3.4
53.03939	3.9
55.01869	32.1
55.04825	0.9
55.05509	13.7
55.41241	1.1
56.96564	1.5
57.03419	4.2
57.07063	1.1
59.36441	0.9
59.88561	1.0
65.03925	1.8
67.05502	51.6
67.05864	2.7
69.03406	1.6
69.07063	16.2
69.37237	3.6
69.37645	2.5
70.04070	1.8
70.06576	2.5
71.01347	7.2
71.04994	13.0
72.04514	1.2
72.08149	1.2
79.05045	1.6
79.05490	29.2
81.03411	5.4
81.07052	96.1
82.07381	1.4
82.88683	0.9
83.04975	8.9
83.08608	7.9
84.08125	2.7
85.06528	6.7
91.05473	46.4
92.05812	1.1
93.07034	24.5
95.04955	8.8
95.08597	26.1
97.06532	10.9
97.10144	2.4
99.00812	31.6
99.08076	6.6
100.07605	18.6
105.07024	65.2
106.07366	1.9
107.04953	3.8
107.08585	16.0
109.06509	7.7
109.10136	2.7
110.09695	1.8
111.08069	3.4
112.11234	1.8
113.06013	3.5
117.07005	3.2
119.01302	1.0
119.08574	43.2
120.08957	1.2
121.06520	2.2
121.10132	27.3
123.08060	9.7
123.11700	16.0
125.09618	1.1
128.06119	1.1
129.06960	6.8
131.08562	4.4
133.06432	1.8
133.10170	5.4
135.08096	1.6
135.11694	2.0
137.13242	4.2
140.10677	6.6
142.07726	1.6
142.12260	6.4
145.10098	3.1
147.04408	1.8
147.07988	2.0
147.11674	100.0
148.12007	3.6
149.09605	4.0
151.03860	1.0
152.10699	3.2
152.47528	1.2
157.10104	5.9
161.02303	1.7
161.09795	1.3
163.03853	1.8
163.11171	1.2
165.12738	42.8
166.13104	1.4
171.11658	1.1
171.14931	5.2
175.11214	4.6
177.01912	1.5
177.05455	1.1
187.11334	1.1
195.02946	1.6
199.11247	1.3
205.01335	7.0
223.02458	1.1
241.14305	1.3
273.18445	3.7
286.10233	1.1
291.19482	5.3
304.11511	1.3
309.15213	1.2
309.16864	1.4
309.20615	1.2
310.24872	18.8
324.53726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38268	0.6
53.03933	0.9
55.05506	3.6
57.03424	0.8
67.05508	4.2
69.03407	1.0
69.07059	2.3
70.04136	0.7
70.04510	2.0
71.04978	1.2
79.05479	5.9
79.38644	0.6
81.03392	1.5
81.07048	4.4
83.04987	1.0
83.08588	1.7
85.06534	1.2
90.96680	0.6
91.05470	3.2
93.07044	5.2
95.04961	2.8
95.08601	2.6
97.10154	1.9
105.07020	2.5
107.04921	0.8
107.08575	2.2
109.06482	0.8
109.10146	1.0
111.08108	0.7
112.80066	0.7
113.05993	1.6
119.08601	2.1
121.06516	0.9
121.10155	1.8
122.15344	0.7
123.08045	2.8
125.09638	1.6
131.08578	1.0
133.10115	1.8
135.08032	0.6
135.11603	0.8
137.09587	1.1
143.08546	0.8
145.10077	1.3
149.09567	0.9
189.11166	1.5
199.14825	1.0
217.15833	1.4
273.18475	2.3
286.10297	1.1
286.86069	0.7
291.19586	3.7
304.11572	1.2
309.16690	100.0
310.17041	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	5.4
54.36113	1.4
55.01874	20.4
55.05259	2.1
55.05513	30.3
57.03439	4.7
57.07079	3.9
58.26430	1.1
60.06678	1.3
65.03942	5.1
67.05505	73.7
69.03442	5.5
69.07066	28.0
69.75239	4.1
70.04077	6.0
70.06593	7.2
71.04988	12.7
72.04549	2.2
73.15529	1.5
79.05490	51.9
80.05000	1.6
81.03442	5.4
81.07054	94.1
83.04979	20.0
83.08612	9.8
84.08160	2.1
85.02885	3.0
85.06548	9.4
85.83554	1.6
91.05475	55.8
92.05839	1.5
93.07044	47.3
95.04972	15.7
95.08598	33.6
97.02859	2.0
97.06534	9.2
97.10176	4.8
99.04470	3.9
99.08088	3.1
100.07606	21.3
103.05439	1.4
105.04558	1.8
105.07027	58.9
107.04943	10.0
107.08593	55.6
109.06513	12.2
109.10152	89.7
110.09705	3.6
111.04438	6.3
111.08066	11.1
112.11266	2.2
113.06002	4.7
117.07009	8.4
119.04932	1.6
119.08589	18.2
121.02901	1.5
121.06514	10.1
121.10150	12.4
123.04439	2.9
123.08073	5.8
123.11706	11.2
125.05999	1.5
125.09644	4.4
127.07576	5.4
128.06236	1.8
129.07007	5.6
131.08559	11.0
133.06503	9.5
133.10127	100.0
134.10448	2.5
135.08037	5.8
135.11687	8.9
137.05980	3.6
137.09666	4.5
139.07536	5.7
139.11197	2.0
140.10677	7.4
142.12268	7.7
143.08589	6.2
145.10118	10.9
147.08022	9.9
147.11710	3.7
149.09587	7.3
149.13229	2.2
151.11183	53.6
152.10680	3.3
157.10027	1.7
159.08073	2.6
159.11714	4.3
161.09595	10.7
161.13255	2.6
163.11217	3.9
167.03392	1.8
167.10796	1.4
169.12230	11.4
171.11732	4.4
171.14923	6.6
173.09584	2.7
173.13338	2.0
175.11176	5.2
175.14757	1.6
177.01849	5.3
177.09070	1.7
179.10704	4.8
181.08609	1.8
181.12190	1.5
183.11708	1.5
185.13248	3.6
187.11188	2.1
189.12766	2.6
194.02837	1.5
194.15407	1.8
195.02893	3.8
196.25412	1.4
199.11208	2.8
205.01343	5.4
207.13846	2.1
209.11783	1.9
215.12764	3.7
217.12245	3.1
218.95224	1.6
223.02481	2.7
223.18123	1.5
227.17934	3.3
245.18996	12.3
255.17453	3.4
263.20129	10.4
273.18442	28.4
291.19525	53.9
292.19803	2.0
309.07532	2.7
309.15622	1.3
309.16931	1.9
309.20459	17.3
309.25775	1.8
310.24893	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.59100	3.2
53.03938	10.8
55.01870	42.4
55.05508	52.9
57.03421	14.7
57.07080	4.0
58.92489	2.8
65.03949	7.3
67.05501	66.8
69.03406	10.4
69.07063	27.3
69.97263	7.5
69.97605	3.0
70.04074	5.3
70.06583	15.1
71.04979	9.8
72.04511	6.2
72.07737	3.9
72.08151	73.2
77.87400	3.0
79.05047	6.3
79.05487	84.9
80.05003	5.2
81.03407	20.6
81.07053	70.2
83.04980	23.2
83.08611	16.6
84.08137	9.9
85.06541	11.1
87.04412	4.2
91.05482	51.7
93.07041	94.0
93.07610	6.3
94.06602	3.8
95.04974	48.7
95.08598	35.9
96.08070	3.5
97.06534	43.5
97.10162	20.5
99.04440	12.9
99.08080	4.4
100.07620	74.3
105.07021	43.2
107.04943	12.1
107.08590	31.8
109.06528	26.4
109.10152	26.7
110.09660	6.2
111.04445	32.2
111.08074	10.7
111.61775	2.9
112.11209	10.6
113.05975	16.3
114.09163	4.5
117.07017	12.8
118.08651	35.3
119.08585	29.2
121.02790	3.4
121.06489	11.7
121.10146	31.0
122.09613	6.8
123.08062	18.8
123.11705	5.5
124.07574	3.9
125.09608	24.7
131.08598	16.7
133.06454	7.1
133.10127	31.2
135.08038	18.4
135.11653	5.2
137.09584	19.4
140.10683	29.6
142.12276	32.4
143.08540	4.2
145.06485	3.2
145.10110	9.5
147.08046	6.1
147.11696	16.7
149.09607	17.1
149.13188	4.2
151.07492	4.0
151.11172	40.8
152.10680	17.1
153.09096	9.1
157.10114	8.2
159.11618	5.3
161.02354	3.3
161.09633	8.7
161.13142	4.2
163.03906	4.3
163.11188	7.9
164.49826	3.3
165.12730	5.4
167.03474	4.2
169.10143	5.0
169.13492	3.7
171.14955	22.4
175.11189	4.2
177.01836	8.4
177.12839	4.9
179.10489	4.0
187.11101	3.8
188.75238	3.5
189.11208	17.0
193.12216	6.9
194.15396	6.2
195.02826	7.0
199.14867	6.0
205.01329	19.7
217.15846	13.7
219.13818	4.1
223.02214	7.0
223.13252	5.8
223.18202	3.4
245.19064	5.0
246.18449	5.1
249.14662	4.6
255.17369	4.9
263.20062	14.6
264.19595	18.1
267.15842	5.4
273.18478	22.3
291.19528	69.6
292.19348	7.8
292.23807	4.8
309.07462	4.5
309.16660	42.3
309.20587	39.6
310.20465	11.6
310.24857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	10.2
55.01870	13.1
55.05508	53.9
57.03436	18.7
65.03925	4.9
67.05495	45.6
69.03431	5.8
69.07063	22.9
69.75270	6.5
70.06580	3.2
71.05002	14.0
77.03905	4.4
79.05487	99.6
80.05806	3.7
81.03411	22.2
81.07050	75.9
83.04979	7.6
83.08617	22.6
85.06530	6.6
91.05469	44.2
93.07039	100.0
95.04962	32.4
95.08585	30.1
97.06532	27.1
97.10159	33.7
99.04443	6.7
99.08070	8.9
100.07611	5.0
105.04494	5.8
105.07010	26.6
107.04886	11.9
107.08589	25.8
109.06513	34.4
109.10139	9.0
111.08104	6.2
113.06001	21.0
117.07001	15.0
119.08565	24.2
121.06481	8.8
121.10147	40.5
123.08062	18.3
123.11694	4.3
125.05907	2.7
125.09623	29.3
127.07526	2.7
129.07001	6.7
131.08563	21.5
133.06432	2.8
133.10138	15.8
135.08057	17.0
135.11676	7.6
137.09599	5.8
143.08582	6.8
145.10101	10.9
147.07990	5.8
147.11693	8.4
149.09601	7.4
149.13292	2.6
153.09131	3.3
157.10114	6.5
159.11685	9.9
161.09602	7.0
163.11232	5.2
165.09167	2.6
169.10066	3.9
171.11690	8.3
175.11145	6.1
177.12762	3.7
183.11630	3.0
185.13216	3.6
187.11183	3.8
189.11200	19.8
189.16309	2.7
190.03728	2.4
193.12186	3.5
195.13753	5.5
197.13222	3.2
199.14755	6.8
201.12697	3.3
203.14417	2.7
205.12422	3.5
217.15930	12.3
223.13293	2.8
227.17685	2.6
233.15285	3.4
235.16814	3.2
245.19048	3.4
255.17395	2.8
263.20050	2.6
266.21146	3.4
273.18491	24.6
288.88593	3.5
291.19492	56.4
292.19479	3.5
304.70511	2.4
309.14539	4.4
309.17056	4.9
309.20300	25.4
310.24493	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03947	10.9
55.01867	8.7
55.05507	20.7
57.03437	28.9
65.03935	3.1
65.28487	2.2
66.98756	2.1
67.05502	55.3
69.03415	3.3
69.07066	20.1
70.70275	2.9
71.04996	14.2
75.04498	2.5
77.03928	3.2
79.05495	54.5
81.03423	26.7
81.07056	100.0
83.04974	11.7
83.08627	9.4
85.06559	8.2
87.32921	2.4
90.32945	2.2
90.88541	2.4
91.05474	43.3
93.07040	48.7
95.04984	20.9
95.08595	37.3
97.06542	20.8
99.08121	11.7
100.07620	3.0
103.05525	2.3
105.07033	33.4
107.04990	14.5
107.08599	26.8
109.05759	3.2
109.06522	61.9
109.10146	16.7
111.04438	2.8
111.08086	6.8
113.06023	4.8
115.39719	2.4
117.07018	19.6
119.08582	22.1
121.06499	12.6
121.10139	14.8
123.08027	11.6
123.11722	3.8
125.09642	5.1
127.07519	4.3
129.06970	8.0
131.08585	19.4
133.06451	4.6
133.10147	22.4
135.08040	15.6
135.11697	12.3
137.09581	3.7
143.08548	5.1
145.06459	5.2
145.10138	14.1
147.08076	6.5
147.11691	6.0
149.09641	7.7
151.11211	8.2
155.08612	2.5
157.10146	8.3
159.08000	2.6
159.11670	13.6
161.09624	9.5
161.13210	2.1
169.10097	3.2
171.11682	3.1
173.09642	3.0
173.13284	2.9
175.11131	3.9
177.12779	4.3
185.13306	3.2
187.11172	10.8
189.12807	3.1
195.13814	3.4
199.14914	5.0
205.12213	2.8
217.15836	11.1
219.13806	5.9
221.15256	4.0
223.13258	4.2
227.17862	4.9
233.15425	4.8
235.16939	2.7
241.14290	3.4
243.63959	2.3
255.17519	4.5
262.94186	2.4
263.20099	4.4
273.18411	22.9
291.19525	52.1
292.19751	5.0
304.15576	2.5
309.20685	15.1
310.24792	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03928	6.0
55.01867	10.0
55.05301	3.9
55.05512	43.5
57.03444	21.4
59.49941	3.7
61.28341	3.3
67.05501	34.5
69.03413	4.1
69.07061	17.4
70.04062	11.0
70.06601	17.8
70.81793	3.1
71.04977	4.0
72.04494	5.3
72.08134	8.4
79.05481	31.4
81.07057	57.7
83.04945	7.9
83.08632	19.4
83.54045	3.6
84.08118	13.5
85.06538	6.0
91.05486	39.2
93.07040	37.6
95.04973	15.3
95.08596	20.8
97.06522	8.4
97.10168	16.3
98.09674	5.4
99.04359	4.0
99.08072	6.9
100.07618	91.1
105.07022	18.8
107.04943	23.2
107.08588	19.1
109.06517	18.7
109.10139	14.0
110.09677	10.4
111.04435	6.8
111.08031	7.4
117.07005	15.3
119.08562	26.0
121.04179	3.7
121.06499	11.0
121.10116	8.7
122.09644	8.1
123.08038	8.6
124.07541	4.2
125.09615	17.5
129.07010	9.3
131.08553	13.0
133.06543	3.6
133.10123	9.3
135.08086	7.2
137.09625	4.4
140.10703	30.9
142.12263	35.9
143.08560	7.0
145.10121	18.3
147.08038	14.5
147.11659	4.8
152.10721	21.1
157.10132	9.5
159.08174	4.4
159.11700	6.3
161.09566	7.6
163.11192	4.7
167.03517	4.7
169.13429	6.0
171.11627	6.3
171.14940	27.7
172.08188	3.7
177.01825	12.7
179.12094	4.2
182.15419	16.0
189.11168	11.1
194.15372	5.3
195.02867	8.7
205.01328	16.1
210.13132	3.7
210.14821	19.9
219.13773	7.1
223.02322	5.2
223.17958	6.9
255.17380	4.5
263.02487	5.1
273.18509	32.1
281.66663	3.9
291.19528	63.6
309.03751	4.6
309.07373	4.4
309.20233	36.2
310.24857	100.0
321.54568	3.8
334.78320	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05501	28.1
57.03423	20.7
57.07059	9.9
59.04986	11.4
65.56492	8.3
67.05500	64.2
69.07057	17.2
69.09530	6.2
70.04079	13.0
79.05486	53.2
81.07051	100.0
83.04974	10.0
83.08601	7.8
85.06547	15.4
91.05463	57.7
93.07041	72.8
95.04962	18.2
95.08588	54.6
97.06512	11.9
98.98445	7.4
105.07001	38.4
106.80553	6.6
107.08587	38.8
109.06521	19.6
109.10127	13.1
111.68569	7.6
113.05973	21.7
117.04489	8.0
117.07011	14.2
119.08566	39.0
121.10149	23.1
123.08029	12.7
124.74915	6.4
131.08534	26.0
133.10121	35.7
135.08018	16.9
135.11623	13.9
143.08643	8.8
145.10085	20.0
147.11679	19.4
149.09610	12.0
149.13235	8.5
157.10167	9.9
159.11655	7.6
161.13156	8.5
171.11707	16.6
175.11156	16.1
179.14211	7.5
193.12317	7.4
199.14890	6.4
217.15929	10.3
230.76053	7.5
235.16953	10.1
237.16385	7.4
255.17438	14.7
273.18442	47.2
291.19479	30.1
309.20447	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	4.5
55.01871	18.8
55.05511	28.1
57.03430	7.2
57.07067	3.0
65.03944	2.9
67.05502	75.5
69.03425	6.3
69.07065	28.3
69.95289	3.9
69.95641	3.6
70.04090	2.4
71.04986	10.7
77.03922	2.1
79.05492	43.5
81.03424	6.0
81.07053	100.0
83.01333	3.2
83.04981	18.7
83.08618	9.0
85.02870	2.0
85.06530	7.1
91.05471	56.0
93.07037	49.5
95.04968	13.3
95.08600	34.6
97.02927	1.9
97.06531	7.5
97.10138	3.5
99.04464	3.9
99.08060	2.1
100.07615	6.0
103.05473	1.8
105.04530	3.3
105.07024	53.4
107.04961	10.9
107.08587	52.4
109.06521	13.7
109.10155	81.8
111.04432	5.1
111.08051	7.7
113.05993	4.3
117.07048	8.3
119.08575	17.6
121.06488	7.2
121.07281	1.8
121.10154	9.8
123.04455	3.6
123.08076	4.6
123.11705	12.6
125.05978	2.8
125.09618	2.8
127.07539	5.8
128.06198	2.5
129.07005	3.7
131.08562	11.9
133.06459	8.6
133.10124	95.5
134.10461	1.9
135.08054	5.8
135.11655	7.6
137.06026	2.6
137.09599	3.2
139.07564	7.6
139.11214	1.9
143.08556	6.6
145.10124	10.4
147.08023	10.0
147.11668	4.3
149.09618	7.5
151.11169	57.6
152.11502	1.8
157.10117	3.2
159.11687	3.6
161.09604	7.7
161.13257	3.1
163.11223	4.4
165.09088	2.3
165.12656	2.0
169.12228	15.0
171.11699	3.3
173.09622	3.2
173.13272	2.3
175.11205	4.1
177.01811	2.4
177.12671	2.3
179.10625	3.1
181.12085	1.9
185.13280	2.1
187.11075	1.8
189.12810	3.4
199.11304	2.1
203.14413	2.9
205.01350	3.2
207.13792	2.2
215.12650	4.0
217.19478	2.0
227.18031	3.4
229.38255	1.8
245.19037	10.7
255.17253	3.0
263.20007	13.9
273.18460	27.4
274.18747	2.1
291.19525	57.9
292.19910	3.3
309.20569	23.8
310.24875	5.0
324.15466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.09849	1.2
53.03946	3.6
55.01871	22.3
55.05507	39.5
57.03428	6.7
57.07073	4.3
59.04986	3.4
63.42455	1.4
64.77598	1.3
65.03938	4.3
65.53554	1.2
67.05499	84.4
68.05841	2.2
68.12226	1.5
69.03417	5.3
69.07062	28.0
70.04064	3.4
71.04990	12.3
71.43671	1.4
77.03922	2.6
79.05487	56.6
81.03410	5.5
81.07053	100.0
82.07416	1.6
83.01334	3.4
83.04977	15.2
83.08611	17.3
85.02887	1.9
85.06540	9.6
91.05473	56.3
91.22315	1.3
92.05796	1.6
92.20965	1.5
93.07035	59.1
94.07388	1.7
95.04961	19.3
95.08598	50.4
97.02903	2.1
97.06519	9.8
97.10155	4.8
99.04470	4.6
99.08073	2.6
100.07578	1.5
105.04478	2.8
105.07021	56.5
107.04948	11.0
107.08582	52.1
109.06509	17.6
109.10150	73.3
110.10490	1.5
111.04431	7.9
111.08079	12.0
113.06036	2.1
115.05508	1.6
117.06998	9.8
119.08578	19.9
121.06503	13.2
121.10129	15.3
123.04428	2.8
123.08075	5.6
123.11673	9.9
125.05978	2.1
125.09609	3.5
127.07558	4.5
128.06212	2.9
129.07018	6.5
131.04828	1.5
131.08556	17.3
133.06508	8.9
133.10121	78.6
135.08066	9.0
135.11693	8.5
137.05959	3.2
137.09584	3.3
139.07561	8.6
143.08549	7.5
145.06488	2.6
145.10118	10.9
147.08022	12.4
147.11644	9.1
149.09602	10.9
151.11169	51.4
153.12729	1.7
156.09274	1.7
156.37604	1.3
157.10103	7.8
159.07991	2.9
159.11703	6.2
161.09590	17.1
161.13225	2.9
163.11176	4.1
165.09125	3.9
165.12782	2.6
167.10683	3.3
169.10101	1.7
169.12186	8.6
171.11662	7.4
173.09610	2.0
175.11180	5.8
177.09140	3.0
177.12743	3.5
179.10612	3.5
179.14279	1.9
181.08629	3.9
181.10165	1.7
181.12143	2.7
185.09579	1.9
185.13141	3.4
189.12738	4.8
199.11218	3.0
203.14348	2.5
205.01372	2.2
207.13818	2.9
209.11819	2.3
215.12791	2.6
217.12109	3.4
217.19571	2.2
223.13324	2.1
227.17938	3.1
235.13268	3.0
237.63797	1.6
245.18997	18.9
255.17426	4.8
263.20050	19.4
273.18454	39.2
274.18613	2.4
291.19525	79.0
292.19864	3.8
292.99823	1.3
309.20538	23.4
309.23782	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	4.2
55.01869	16.1
55.05505	27.6
57.03427	5.7
57.07080	6.5
62.71813	3.6
65.03426	3.5
65.03941	4.7
67.05502	57.5
69.03418	3.3
69.07066	23.2
70.04079	44.1
70.06586	5.7
71.04421	3.2
71.04978	9.3
71.27121	3.2
79.05491	48.2
81.07053	100.0
83.04981	18.5
83.08615	7.3
85.02851	3.5
85.06535	8.0
91.05479	38.4
93.07043	33.4
95.04959	16.5
95.08604	41.4
97.06494	3.7
100.07612	6.3
105.07025	41.7
107.04958	7.6
107.08581	37.5
109.06509	11.8
109.10145	54.2
111.08097	5.2
113.06007	4.5
117.07008	6.1
119.08568	14.9
120.41415	3.1
121.06472	6.1
121.10119	11.3
123.08050	7.2
123.11724	8.1
131.08514	7.7
133.09169	5.2
133.10126	56.6
134.10487	3.3
135.08076	7.7
135.11694	5.6
137.09564	4.2
143.08539	5.7
145.10059	6.7
147.08012	6.0
147.11691	5.1
149.09656	5.6
151.11148	41.9
157.10127	5.5
159.10182	3.6
159.11725	6.1
161.09583	5.6
169.12239	4.7
171.11641	4.9
175.11096	4.4
177.01889	3.2
205.01270	4.3
245.18962	8.1
263.19949	7.2
273.18491	13.6
291.19537	31.6
309.15594	12.9
309.20547	19.6
309.23965	5.1
310.14960	5.2
310.24939	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
55.05509	42.7
57.03429	17.3
57.07077	8.7
65.03942	8.1
67.05501	63.0
69.07064	40.3
70.04082	22.2
70.06580	7.8
71.43924	6.2
79.05487	39.5
81.03451	10.2
81.07053	60.0
83.08632	13.6
91.05466	55.6
93.07039	88.1
95.04970	85.9
95.08598	67.1
97.06532	29.1
98.98441	6.6
100.07609	8.4
103.42307	6.4
105.07024	100.0
107.08593	42.8
109.06526	10.6
109.10161	21.2
115.05457	7.4
117.07029	25.4
119.08566	72.5
121.06504	12.1
121.10142	84.9
123.08063	17.7
128.06282	11.0
129.07036	19.9
131.08597	41.4
133.06525	9.4
133.10124	44.1
135.08049	8.3
135.11693	14.5
142.07779	17.6
143.08566	30.0
145.06427	9.2
145.10095	59.3
147.08047	9.7
147.11665	11.4
155.08586	9.3
157.10168	35.1
158.10847	7.1
159.11665	41.7
161.05936	9.0
161.09653	9.3
161.13300	13.6
165.07008	6.6
169.10104	24.2
171.11707	14.7
173.13358	20.6
175.14862	8.9
177.01912	9.0
179.08513	8.3
183.11665	13.6
185.13277	10.4
187.11253	9.9
187.14845	28.3
195.02908	10.8
195.11838	7.1
197.13329	11.0
202.07782	9.3
205.01228	9.4
207.11685	9.3
209.13278	11.2
211.14856	9.7
229.10033	9.8
230.10899	7.4
245.09590	20.2
247.11238	6.8
273.12720	24.0
291.21341	10.6
292.22800	6.7
309.14835	31.6
309.21835	62.2
310.24783	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	5.6
55.05507	22.0
57.03432	2.0
57.07068	3.9
59.04985	2.0
67.05502	49.1
69.03419	1.6
69.07065	18.2
69.28966	7.5
70.04098	1.9
71.04985	2.2
71.08627	53.9
72.03321	1.5
72.37528	1.4
76.46249	1.4
79.05489	42.2
80.34759	1.3
81.03406	7.5
81.07051	57.7
83.04985	16.6
83.08630	8.9
85.06537	4.9
91.05475	30.8
91.62371	1.3
93.07037	63.4
95.04956	15.4
95.08600	38.2
97.06534	12.0
97.10153	5.9
99.08089	46.2
105.07043	20.9
107.04958	5.4
107.08581	33.4
107.09263	2.6
109.06513	3.3
109.10144	12.5
111.08103	2.9
113.09637	2.8
117.07034	3.9
117.15993	1.5
118.82772	1.7
119.08572	14.7
121.06511	1.7
121.10140	30.7
123.08053	3.3
123.11716	2.0
125.09650	1.7
129.06981	3.0
131.08578	3.6
133.06480	1.7
133.10114	11.3
135.11691	39.1
137.09628	2.4
139.11208	1.5
141.09081	5.2
143.08560	2.2
144.78455	1.5
145.10126	4.7
147.11697	5.5
149.13269	11.5
151.11162	22.4
153.12741	3.8
157.10060	2.1
159.11630	2.1
161.13257	13.7
162.13657	1.8
163.11172	8.4
163.14825	2.2
167.10591	2.1
171.11668	2.1
173.13264	2.7
177.12709	4.7
179.14297	100.0
180.14662	3.2
189.12758	2.9
221.15382	4.3
235.16925	4.1
238.84573	1.7
241.19154	1.5
259.20554	7.8
277.21588	49.0
278.21973	4.3
305.95291	1.6
309.24258	2.6
309.29816	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43014	2.4
53.03948	18.9
55.01871	8.8
55.05508	28.2
57.07093	6.4
65.03928	3.7
67.05502	69.9
69.07066	51.4
70.72126	3.7
71.05018	3.2
79.05489	54.9
81.03414	84.7
81.07056	67.9
83.04968	22.9
83.08617	10.8
85.10162	3.4
89.96606	2.5
91.05468	29.3
93.07044	47.9
95.04965	43.9
95.08594	24.6
97.06533	6.6
97.10149	12.3
99.08070	5.3
105.04504	2.7
105.07033	32.7
107.08573	31.0
107.09155	2.9
109.06526	12.2
109.10155	22.3
111.08105	4.7
117.07036	4.8
119.08575	20.1
121.10145	13.8
123.11727	8.0
125.09624	18.5
129.07053	5.5
131.08566	7.2
133.10101	24.1
135.08047	10.3
135.11690	8.7
143.08542	3.1
145.10104	3.1
147.08099	3.3
147.11670	45.5
149.13321	5.5
151.11180	50.4
152.11464	2.9
153.09120	8.6
157.10025	3.5
161.13235	14.2
163.14803	4.7
165.12744	14.9
171.10284	3.9
171.11697	7.2
171.43222	2.7
175.11176	3.5
175.14833	6.6
179.14301	5.7
185.13284	3.8
203.12790	9.2
205.01466	3.2
207.13808	6.3
217.19644	2.5
231.21101	11.2
241.19519	7.1
249.22096	5.3
251.53601	2.7
259.20615	10.6
277.18579	5.3
277.21606	100.0
278.22021	4.8
319.05237	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	4.5
55.01870	17.9
55.05505	24.7
57.03419	4.3
57.07063	3.3
59.04979	2.3
65.03926	2.5
67.05500	50.1
69.07064	56.7
69.33415	4.8
69.33820	3.2
70.04060	4.2
70.06608	1.6
71.04979	5.4
79.05487	35.1
81.03409	2.1
81.07050	100.0
83.04972	7.8
83.08614	11.5
85.06525	8.1
91.05472	21.1
93.07036	41.1
94.51629	1.5
95.04956	7.7
95.08595	49.3
96.02798	1.4
97.06530	13.5
97.10156	6.0
99.08095	8.9
100.07630	2.5
105.04532	2.0
105.07020	22.7
107.08584	25.4
109.06508	14.7
109.10164	17.8
111.04450	11.1
111.08067	5.2
113.09645	1.8
117.07012	3.1
119.08569	16.8
121.10137	26.5
123.08055	6.7
123.11684	7.4
125.05962	4.2
125.09629	23.1
129.06993	3.7
131.08580	8.1
133.10136	12.3
135.08017	3.2
135.11697	27.7
137.05965	97.8
137.09589	2.3
137.13251	4.4
138.06352	2.2
139.11127	2.0
143.08521	3.4
145.10118	6.7
147.08022	2.4
147.11668	18.8
149.09605	4.5
149.13231	10.1
151.07455	2.4
151.11174	4.4
153.08994	1.4
153.12778	1.5
157.10112	2.2
159.11700	5.9
161.09575	4.2
161.13272	14.1
163.11139	4.7
163.14760	4.2
165.09082	6.3
165.12747	3.5
171.11668	3.9
173.13286	4.2
175.11136	6.2
175.14798	3.1
177.12784	3.4
179.14259	3.7
181.15984	1.7
185.13181	2.7
189.12718	5.3
193.12288	3.1
203.17923	4.4
205.01253	1.7
207.13847	3.0
209.15404	1.9
213.16376	4.4
221.15521	1.7
221.18846	2.1
231.17389	7.2
235.16853	2.1
241.19484	4.9
249.18434	10.4
259.20596	8.6
259.54620	1.6
277.17957	47.7
277.21585	37.2
278.18384	1.7
278.22006	1.9
291.19452	4.7
291.22900	2.9
295.19025	6.1
309.20724	2.3
309.24179	21.4
310.24896	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	309.2422
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.03935	15.0
55.01862	11.5
55.05508	72.1
57.03437	4.8
57.07074	49.5
59.04996	7.4
62.60832	3.0
67.05500	100.0
69.03434	5.6
69.07057	29.3
69.22038	21.8
70.04050	7.5
71.04958	3.3
71.08620	7.2
73.48618	2.8
79.05487	57.0
81.03407	46.7
81.07049	87.1
83.04965	17.8
83.08617	35.0
85.06528	5.1
89.83882	2.7
91.05476	29.0
93.07039	61.9
95.04943	39.5
95.08598	49.9
97.06514	9.9
97.10157	24.2
98.22691	6.6
99.08089	7.3
105.07027	27.8
107.04953	6.9
107.08588	33.8
108.29681	2.9
109.06521	9.5
109.10141	26.4
111.08096	6.0
117.07046	6.0
119.08604	19.0
121.10166	22.2
123.07980	6.4
123.11693	19.5
125.09625	20.6
127.11193	4.2
129.07001	5.8
131.08545	10.2
133.10126	11.5
135.08040	7.1
135.11668	18.1
138.68588	3.2
141.09023	3.2
143.08565	5.3
145.10161	5.1
147.11693	16.3
149.13239	14.7
151.11150	4.4
153.09068	4.1
153.12698	3.4
157.10155	5.0
161.13239	18.3
163.14838	8.3
165.12741	23.0
169.12199	6.3
171.11722	5.6
173.13219	5.2
175.14711	7.0
179.14299	10.7
185.13261	4.3
189.11217	7.3
189.16379	4.1
193.12206	7.6
195.13782	3.8
202.52766	2.9
203.14174	3.5
207.13776	4.5
211.13345	8.2
231.21153	4.0
245.22589	4.4
255.21014	5.3
273.22064	8.4
277.21631	28.2
291.23160	87.2
292.23669	6.9
309.24271	62.8
309.29718	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01872	9.4
55.05509	35.3
57.03433	1.5
57.07058	4.0
59.05002	1.8
65.03927	3.8
66.43823	1.0
67.05502	100.0
67.67384	1.3
68.05834	1.2
69.00648	1.1
69.03422	3.1
69.07058	13.3
70.04088	1.4
71.04974	2.4
72.44540	1.1
75.88992	1.0
79.05489	40.6
81.03414	2.8
81.07054	38.2
81.07465	0.6
81.07556	1.0
82.07384	1.2
83.04962	5.3
83.08618	17.9
85.06526	5.2
91.05466	15.3
93.06450	1.8
93.07043	36.8
94.07343	1.3
95.04959	4.7
95.08604	29.3
97.06530	8.8
97.10165	23.7
97.10728	0.6
99.08067	1.7
105.04532	1.8
105.07025	16.2
106.07339	0.9
107.04909	1.1
107.08588	46.5
109.06506	3.0
109.10149	39.4
111.08068	3.4
117.07020	4.7
119.08566	10.0
121.10141	19.8
122.37402	1.0
123.08042	1.2
123.11700	5.0
125.09634	24.7
129.07001	1.5
131.08575	4.7
133.10120	10.5
135.08049	6.6
135.11690	25.4
137.09669	1.8
137.13237	1.2
143.08574	2.2
145.10110	4.2
147.11702	8.5
149.13257	14.7
151.11206	4.0
153.09082	4.5
153.12743	1.6
157.12228	2.6
159.11719	2.7
161.13222	6.1
163.11191	1.9
163.14799	2.7
165.12753	2.4
171.11664	2.8
173.11794	2.6
173.13237	3.0
175.11400	1.0
175.14836	8.8
177.12718	2.3
181.12210	3.6
185.13283	2.0
189.12762	2.0
189.16371	1.5
193.15871	4.3
194.81711	1.2
199.14801	2.6
203.12749	12.7
203.14417	1.4
221.15356	2.8
231.20961	1.7
235.16893	1.1
241.19524	3.9
259.20465	11.5
277.21594	41.2
278.21948	1.9
279.24869	1.1
291.23242	6.4
309.24194	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	309.2423
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.03944	3.0
55.01878	8.4
55.05260	2.3
55.05510	36.2
57.03426	5.4
57.07065	7.0
59.04984	2.3
65.03918	2.9
66.21182	1.5
67.05503	58.7
69.03421	4.8
69.07063	35.4
69.18346	11.7
70.04076	6.6
70.06592	4.6
71.04984	6.4
71.08630	14.2
76.70754	1.7
79.05494	45.0
80.38344	2.1
81.02968	1.7
81.03405	8.5
81.07053	65.5
83.04516	2.6
83.04972	19.0
83.08617	18.8
85.06553	7.3
85.10155	2.1
91.05482	31.1
93.07037	49.1
93.07611	3.8
94.07341	2.0
95.04957	30.9
95.08603	40.3
97.06516	12.5
97.10170	12.1
99.08097	10.2
100.07605	6.2
105.04508	3.3
105.07029	26.3
107.04951	3.4
107.08582	27.5
109.06505	9.3
109.10147	19.8
111.08074	6.7
117.07018	6.1
119.08582	21.4
121.02875	2.5
121.06480	3.0
121.10145	20.6
123.08080	7.3
123.11699	5.4
125.09604	7.2
129.07011	5.1
131.08543	6.7
133.10104	18.1
135.08075	3.1
135.11678	16.8
137.05894	2.8
137.09622	6.2
137.13242	2.9
139.07480	1.6
139.11171	15.4
140.10681	3.3
142.12230	3.0
143.08534	3.8
145.10132	8.3
147.08054	1.7
147.11684	15.7
149.09598	2.7
149.13261	7.0
151.11151	9.3
153.12755	3.0
157.10117	5.3
159.11639	3.8
161.13257	11.6
163.11205	3.0
163.14787	4.6
165.12724	5.3
171.11662	5.2
173.13142	2.6
175.11177	6.5
175.14825	4.8
177.01785	4.0
177.12726	2.6
179.14287	5.5
185.13232	4.6
189.12617	1.7
193.12253	6.2
195.02951	3.6
199.14836	3.4
203.12700	2.5
205.01352	2.8
207.13760	3.5
217.19508	2.9
221.15364	6.3
223.02423	1.8
231.21107	4.2
241.19482	6.1
249.22058	3.2
259.20529	11.3
277.21625	100.0
278.21976	3.3
291.19730	3.0
291.23141	5.3
295.22549	4.4
309.07770	2.8
309.20932	3.4
309.24280	29.1
310.24896	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	310.2489
Annotation	Palustrine
Peak:m/z	Relative Intensity
51.54924	0.6
55.05502	0.7
57.03439	0.9
58.06592	3.0
67.05503	2.2
69.82342	1.3
70.06590	5.6
72.04517	6.1
72.08149	5.4
79.05501	0.6
80.04997	2.9
81.05877	0.6
81.07059	1.8
82.06571	0.9
84.08147	9.4
94.06596	1.4
95.04954	2.0
95.08601	1.2
95.43993	0.6
96.08131	0.8
98.09708	1.6
98.22772	0.7
100.07616	81.9
101.07948	1.2
107.08588	0.7
108.08083	0.8
110.09670	7.6
112.11246	6.5
122.09663	6.0
123.08111	0.7
124.07568	3.2
124.11217	1.8
127.12286	1.1
129.13907	3.5
136.11214	1.3
136.94014	1.9
139.58473	0.6
140.10696	29.8
142.12267	34.4
150.09209	0.7
152.10707	16.9
164.10622	0.8
169.13356	5.0
171.14920	24.4
176.14392	1.0
178.00494	0.6
194.15390	6.1
222.14609	0.6
223.18066	4.8
241.19119	1.9
264.03171	1.5
268.23807	2.5
292.23801	5.0
310.24875	100.0
311.25177	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	311.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38050	0.3
55.05505	0.9
57.03407	0.5
58.06587	0.5
65.03928	0.4
67.05492	1.2
69.07053	0.4
69.20998	0.7
69.21404	1.4
70.06581	1.2
72.04525	0.8
72.08147	4.8
77.03960	0.3
79.05480	1.3
80.05032	0.4
81.03406	0.7
81.07047	1.4
82.00927	0.3
83.04974	0.5
84.08125	1.2
85.02899	0.6
91.05479	1.1
93.07034	1.1
95.04963	0.8
95.08617	0.8
96.08136	0.3
97.06563	0.4
97.07648	2.4
98.09688	0.4
98.22761	0.6
100.07616	14.4
101.07955	1.2
105.06996	0.8
107.08578	0.5
109.01114	0.8
110.09668	1.4
111.04424	0.5
112.11253	0.8
114.10284	2.8
119.08601	0.6
121.10103	0.7
122.09655	1.1
123.02591	0.4
123.08051	0.8
124.07567	0.5
124.11179	0.6
125.09674	0.4
129.13820	0.5
132.04459	0.7
132.11313	0.8
133.06508	0.5
133.10100	0.4
134.06009	7.8
135.02676	0.6
140.10690	4.1
141.11009	0.8
142.12285	5.4
143.08516	0.5
143.12607	0.7
146.05977	1.1
149.09612	0.4
150.03725	7.2
152.10690	2.6
153.10989	0.4
156.04419	0.5
157.05232	2.1
157.10127	0.7
159.06784	0.9
159.08049	0.4
159.11732	0.5
162.03696	0.9
163.02101	0.6
164.00427	0.4
164.01642	2.1
169.10023	0.3
169.13361	0.9
171.14932	3.9
172.15225	0.8
173.09723	0.5
173.13232	0.5
175.00829	0.9
175.06223	1.6
177.00839	0.5
177.02423	9.0
178.03206	58.3
179.03580	1.9
181.04948	6.7
181.06329	0.2
190.03209	29.5
191.03577	0.6
191.08485	0.4
192.04831	0.9
194.15350	0.7
195.11665	0.5
208.04263	100.0
209.04744	4.5
209.13324	0.4
210.05815	4.5
211.06082	0.3
211.11197	0.6
219.12134	0.4
223.14694	0.4
223.18111	0.9
236.03749	2.8
237.12659	0.5
237.16245	0.5
246.01556	0.4
254.04814	13.7
255.05098	0.8
265.06424	8.3
265.15738	0.6
283.17035	0.8
292.23892	0.6
293.05875	0.8
293.15231	0.7
310.24878	12.3
311.06927	33.2
311.12814	1.0
311.16333	4.2
311.25156	5.7
312.07306	1.2
312.15527	6.3
312.26370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02989	0.8
55.05510	0.5
58.34420	0.3
58.99582	0.4
60.05636	0.3
65.03937	0.4
67.05504	0.6
70.06570	0.9
70.93622	0.6
72.08150	5.0
79.05483	0.5
81.07048	0.4
84.08130	1.0
86.09557	0.3
91.05466	0.5
93.07050	0.6
95.04946	0.8
97.07655	2.3
100.07615	6.2
101.07937	0.6
103.04762	0.3
109.01104	1.2
109.06480	0.3
110.09662	0.6
114.10296	4.1
117.05752	0.5
122.09645	0.6
123.02607	0.4
123.09972	0.3
128.05072	0.3
129.13812	0.4
132.04414	1.0
132.11319	1.0
134.05051	0.6
134.06003	7.6
135.02655	0.9
137.05980	0.8
138.01326	0.5
140.10718	2.2
142.12265	2.8
143.12637	0.6
145.06429	0.4
146.05980	1.4
149.02982	0.4
150.03714	7.6
152.10693	1.5
153.05518	0.5
156.04407	0.8
157.05232	2.3
159.06749	0.9
162.03703	1.0
163.02051	0.7
164.01639	1.9
169.09984	0.4
171.14935	1.4
175.00781	0.7
175.06291	1.6
177.00830	0.5
177.02419	10.9
178.03201	65.1
179.03552	1.9
181.04948	9.7
187.07645	0.5
189.51627	0.3
190.03201	31.8
191.03642	1.1
191.08595	0.5
192.04778	0.8
199.11200	0.4
208.04260	100.0
209.04880	4.8
210.05820	4.6
219.08005	0.6
236.03746	4.8
251.10570	0.8
254.02151	0.6
254.04807	11.5
255.05338	0.5
265.03613	0.6
265.06396	7.0
265.09149	0.6
279.10062	0.6
283.16736	0.5
293.06012	0.5
310.24850	6.2
311.06921	33.9
311.12842	0.8
311.16519	1.1
311.25098	2.4
312.07220	1.5
312.15509	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	311.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13594	1.3
53.03941	3.9
55.01873	6.8
55.05505	5.0
57.03422	8.9
64.49367	1.3
65.03928	1.8
67.05498	19.9
69.03426	44.6
69.07075	1.5
71.01360	2.2
72.08142	2.6
72.85879	1.2
73.02911	3.1
77.03915	2.7
79.05489	22.9
81.03421	8.4
81.07052	29.8
83.01326	3.4
83.04980	4.1
85.02899	9.7
87.04465	1.6
87.09522	1.7
91.05476	40.9
93.07043	34.3
95.04971	10.6
95.08599	55.0
96.08960	1.7
97.02886	39.0
97.06541	3.4
98.23440	5.6
99.92695	1.5
100.76176	1.4
101.02352	3.0
103.05466	6.2
105.04506	1.8
105.07024	100.0
106.07351	2.9
107.04952	7.3
107.07967	1.8
107.08585	10.6
109.02869	1.7
109.06516	23.6
111.04438	2.9
113.02354	1.7
114.10247	2.3
115.03926	4.7
115.05460	3.6
116.06203	1.9
117.07005	8.2
119.04916	2.9
119.08591	4.3
121.06490	16.5
121.10135	1.2
123.04449	1.6
123.08065	32.3
125.02345	13.8
125.05979	2.9
125.09608	1.5
127.03907	3.5
128.00746	2.8
128.06186	4.3
129.07007	7.5
130.05064	1.4
130.07838	1.3
131.04951	3.3
131.08568	5.8
133.06483	35.6
133.07494	1.7
134.06816	1.5
137.05975	4.4
139.03894	1.3
139.07539	7.8
141.06999	1.3
143.03386	9.0
143.08580	2.3
145.06479	5.4
145.10089	3.0
147.08049	3.4
149.05997	4.7
151.06342	2.8
151.07530	47.3
153.06920	2.1
155.08530	4.2
157.06432	2.6
159.08073	6.2
161.05940	2.5
167.07008	5.6
169.08614	8.2
171.02875	5.8
171.08032	2.4
173.05923	1.8
173.09650	3.7
175.07564	2.8
177.09138	2.0
181.04938	3.7
183.08057	2.2
185.06010	2.5
187.07558	4.6
189.09114	2.9
201.09096	5.3
205.08562	1.5
217.08621	3.8
219.10106	1.8
223.91380	1.4
229.08621	3.5
247.09677	3.2
260.04990	1.3
275.09164	3.3
293.10144	11.2
311.11319	19.5
311.14734	2.7
312.15521	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71985	1.6
53.03946	9.2
53.54032	1.7
55.01868	6.7
55.05508	6.7
57.03431	29.6
63.44944	1.8
67.05496	4.8
69.03427	90.3
69.12302	3.9
69.12704	7.7
70.06592	2.0
71.01343	3.2
71.04994	12.8
72.08151	4.4
73.02921	16.6
77.03947	1.8
79.05490	5.1
81.03410	32.4
81.07040	8.2
83.01335	3.6
83.04977	10.9
85.02904	34.8
87.04459	3.1
91.05476	24.8
93.07038	100.0
94.07391	2.9
95.04964	34.2
95.08607	5.0
97.02899	16.3
97.06518	1.8
98.22727	3.7
99.04454	21.1
100.07631	3.9
101.65327	1.6
103.05449	8.7
105.04519	5.0
105.07023	7.1
107.04942	7.5
107.08581	2.7
109.02873	8.1
109.06495	10.4
111.04442	5.1
111.08070	2.1
113.02395	2.6
113.75275	1.8
114.10332	2.7
114.24188	1.4
115.03856	1.9
115.05415	2.3
115.19363	1.6
117.06989	1.9
119.04941	6.5
121.06500	49.3
123.04430	12.5
127.03904	31.1
129.05461	28.9
131.04951	8.4
131.08585	2.4
133.06525	1.8
136.07610	1.6
137.05992	12.8
139.07541	12.4
142.12299	2.4
145.02959	2.1
145.04935	4.9
145.06491	1.8
147.04393	9.2
149.05969	53.2
150.06340	2.6
161.05919	3.3
165.05487	3.5
167.07028	49.5
168.07426	2.3
173.04443	37.1
179.03481	1.7
181.04951	11.1
190.12384	1.8
191.05562	2.1
191.13005	4.2
213.51421	1.6
293.10284	2.7
296.31091	2.0
311.11301	10.2
312.12451	4.3
312.15509	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	311.1125
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
50.01582	1.0
53.03936	4.5
55.01854	2.3
55.05503	1.1
55.78534	1.0
57.03436	6.1
61.02905	2.9
67.05495	2.2
69.03065	2.0
69.03426	33.3
71.01352	1.8
71.04992	5.0
71.39960	0.9
72.08145	1.6
73.02917	6.6
77.03921	3.4
79.05489	5.1
81.03416	12.2
81.07043	4.1
84.08136	1.8
85.02899	21.7
87.04489	2.4
91.05479	21.0
91.06047	1.3
93.07040	67.0
94.07379	1.4
95.04966	11.1
95.08599	4.2
97.02887	8.9
97.06528	2.9
97.07675	0.9
99.04449	8.2
100.07609	3.0
102.77433	1.0
103.05486	1.9
105.04506	4.0
105.07040	3.2
107.04948	3.9
107.08588	2.3
108.05754	1.2
108.08125	1.1
109.02863	4.4
109.06487	3.4
111.08102	1.8
115.03893	1.4
117.06971	0.9
119.08575	1.6
121.06501	74.3
121.10130	4.7
121.96960	1.2
122.06889	1.5
123.08085	1.7
127.03913	10.1
129.33398	1.0
131.04877	6.6
133.06476	2.7
137.05954	5.8
139.07501	1.7
145.04933	4.3
145.06522	1.0
145.10063	1.1
147.04362	1.2
147.08051	1.2
149.05966	65.0
149.09589	1.3
150.06329	1.0
151.07622	1.2
163.07617	1.5
165.05467	3.0
167.07031	100.0
168.07272	2.6
181.04950	2.1
187.07530	1.6
191.06998	1.5
203.07092	1.4
250.14334	1.1
251.10670	1.4
257.71634	1.0
267.16983	1.4
279.10309	2.5
305.47183	1.0
310.24829	1.4
311.11087	8.3
311.25226	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	311.1122
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
53.03946	5.5
55.01862	3.4
55.05512	2.9
57.03427	7.2
67.05514	2.9
69.03062	3.4
69.03424	37.8
70.92781	3.3
71.01358	2.0
71.04983	4.1
77.03919	6.0
79.05485	6.1
81.03428	9.2
81.07056	2.0
85.02908	12.4
91.05468	25.5
93.07036	29.4
95.04957	13.9
97.02879	8.1
97.06506	4.4
99.04450	4.0
103.05470	3.1
105.04514	4.5
105.07007	7.7
107.04942	2.1
109.06506	3.2
111.08061	5.2
121.06502	52.7
123.04474	3.0
125.05988	5.6
125.98141	1.5
127.03918	7.8
131.04904	6.0
133.06458	13.2
135.08122	1.7
139.07526	4.4
141.63837	1.5
149.05966	100.0
150.06360	2.0
151.07503	2.6
167.07031	99.6
168.07367	3.0
193.88235	1.7
293.10126	2.3
311.11224	19.0
320.98071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20647	0.3
53.03946	0.5
55.01880	1.5
55.02993	5.3
55.05507	3.8
57.03430	2.1
60.05643	1.7
65.03931	3.3
67.01880	0.3
67.05500	5.5
68.05022	0.4
68.82337	0.3
69.03424	10.0
70.06603	0.3
71.01350	0.9
71.33024	0.4
72.05637	1.3
72.08150	42.5
73.02931	0.4
73.06553	1.7
77.03928	0.5
79.05488	4.7
80.04993	0.3
81.03424	2.1
81.07050	5.9
81.07503	0.4
82.04192	1.0
83.01337	0.8
83.04951	0.6
84.83914	0.3
85.02901	3.5
89.02365	0.4
90.09206	1.3
91.05480	8.6
93.03421	0.8
93.07034	6.2
94.07368	0.4
95.04984	2.9
95.08598	12.4
97.02890	8.7
97.06544	2.2
97.07646	22.4
101.02374	0.4
103.05466	1.0
104.45868	0.3
105.04527	0.6
105.07022	18.4
107.04978	1.7
107.08598	1.7
108.02057	0.5
109.02898	0.4
109.06510	4.0
110.03653	2.0
111.04459	0.7
113.02377	0.7
114.10281	36.9
115.03923	1.2
115.08709	1.2
117.07039	1.5
119.08546	0.4
121.06501	2.4
123.04404	0.9
123.08057	6.5
125.02361	2.8
125.05974	1.5
128.06245	0.9
129.01776	0.3
129.06995	1.6
131.04921	0.5
131.08572	1.1
132.10297	0.5
132.11314	10.8
133.06482	6.5
133.07498	0.3
135.07993	0.4
138.03114	1.2
139.07591	1.5
140.04663	0.7
142.02585	0.5
143.03415	1.8
143.08626	0.5
145.06512	0.8
145.10146	0.7
147.08051	0.9
151.07527	10.0
152.07857	0.3
153.05466	4.8
153.06740	0.6
155.07042	0.7
155.08464	0.4
157.06491	0.8
159.08025	0.9
161.04578	0.4
161.05949	0.5
167.06967	0.4
169.08609	2.1
171.02853	0.9
171.06516	3.2
171.07930	0.5
173.05986	0.3
173.09686	0.4
175.07552	0.7
177.09172	0.3
177.12790	0.4
180.06508	0.6
181.04938	100.0
183.08084	0.5
185.05991	0.4
187.07472	0.6
189.03819	0.3
191.06837	0.4
198.07582	0.4
201.09123	1.2
203.07043	0.4
214.69269	0.3
217.08705	0.4
229.08484	0.6
245.07956	0.4
247.09665	0.6
253.10789	0.4
254.82938	0.3
265.10632	0.4
275.09128	0.4
293.10275	1.5
294.10495	0.5
295.12802	2.2
311.11264	3.0
311.14484	0.6
312.15494	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1125
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
51.02372	3.6
53.03942	11.1
55.01871	4.9
57.03431	15.1
61.02916	4.7
67.05503	3.7
67.60525	2.2
69.03069	4.6
69.03429	75.3
70.81947	3.1
71.04989	13.0
73.02905	6.4
75.56336	2.3
77.85439	2.6
79.05507	13.8
81.03412	31.0
81.07045	2.1
83.04974	7.3
84.03572	2.4
85.02901	33.4
87.04471	3.7
91.05481	22.0
93.07044	61.9
95.04967	22.4
95.08611	4.2
97.02888	25.4
97.06515	8.0
99.04448	15.9
103.05442	4.4
105.04527	2.9
105.07032	4.3
107.04965	13.3
109.02872	10.8
109.06512	5.5
111.04447	4.3
116.00114	2.5
117.07027	3.6
119.04917	2.8
121.06503	82.0
122.06799	2.9
123.04408	4.4
125.05981	8.4
127.03910	27.8
129.05478	6.7
131.04924	10.8
133.06483	4.1
135.08067	3.3
137.05956	30.2
139.07541	9.0
145.04979	5.8
147.04391	3.9
149.05975	82.5
163.07503	4.1
165.05452	3.6
167.07027	100.0
168.07394	4.6
173.04445	6.7
179.07004	2.9
185.55923	2.5
191.07025	8.0
203.07063	2.9
233.07986	2.6
245.08054	2.3
293.10223	3.7
311.11270	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01862	0.8
55.05502	1.6
55.73752	0.6
57.03437	3.6
59.04998	1.2
61.02910	1.0
63.61286	0.4
67.05502	1.9
69.03427	7.8
69.07056	0.5
70.06592	1.7
70.34851	1.2
71.01340	0.6
71.04989	1.2
72.08119	0.5
73.02911	1.3
75.00933	0.4
77.03907	0.7
79.05490	11.5
81.03407	4.9
81.07056	7.0
83.04980	0.6
84.08144	0.5
85.02908	6.5
87.07494	0.4
91.05485	6.4
93.07043	27.5
94.07363	0.8
95.04964	3.7
95.08595	4.2
97.02889	6.0
97.06541	0.6
99.04484	2.4
100.07610	5.4
101.02402	0.7
101.07910	0.9
103.03927	0.7
103.05477	1.5
105.04512	1.1
105.07026	12.5
106.07871	0.6
107.04962	2.4
107.08595	8.1
109.02911	2.3
109.06529	1.6
109.10095	0.5
110.09690	0.6
112.11222	0.5
115.05405	0.6
117.07042	0.8
119.08583	8.7
121.10143	100.0
122.09704	0.7
122.10471	2.4
123.04435	0.5
123.08082	2.4
123.11704	7.0
125.06001	1.8
125.09729	0.5
127.03933	4.2
131.08568	2.5
133.06458	0.7
133.07597	1.4
133.10135	1.5
135.11732	0.6
137.05945	0.7
139.11166	2.9
140.10692	2.0
141.11060	0.7
142.12279	1.4
143.66992	0.5
145.04944	1.2
145.10132	1.5
147.08022	3.3
147.11690	0.7
149.09610	19.5
152.10677	1.1
153.11049	0.5
157.10135	0.6
161.09644	1.0
163.11176	1.2
167.10681	14.3
171.14963	1.0
172.15314	0.6
177.02489	0.5
184.36876	0.4
185.09799	0.5
185.79335	0.6
191.10657	1.2
208.04294	2.0
275.12762	0.9
279.10394	0.6
293.13916	1.4
295.23691	0.5
310.24918	3.2
311.14737	5.6
311.25241	4.0
330.11322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1641
Annotation	Picealactone A
Peak:m/z	Relative Intensity
55.01873	4.5
55.02982	3.1
55.05509	7.2
57.03431	3.3
57.07063	1.0
65.03928	2.6
67.05494	8.8
68.05858	0.9
69.03423	3.0
69.07063	2.4
70.06586	2.0
71.04980	1.3
72.04507	1.0
72.05624	0.9
72.08152	20.3
77.24957	0.8
79.05486	9.0
81.03401	6.6
81.07050	6.4
82.04258	1.0
83.04969	4.7
83.08618	1.2
84.08085	0.9
85.02901	1.5
91.05473	7.7
93.03388	1.9
93.07025	8.8
95.04963	9.8
95.08597	1.7
97.02911	1.3
97.06572	1.8
97.07645	9.6
100.07597	10.0
101.07944	3.9
105.07014	7.2
107.04960	4.7
107.08576	4.5
109.06512	4.8
109.10130	1.3
110.09665	1.0
111.04427	9.0
112.11182	1.2
112.16457	0.8
114.10278	17.8
115.05464	2.1
116.06250	1.1
117.06978	3.1
119.04922	1.4
119.08577	8.7
121.02841	3.0
121.06500	5.6
121.10134	4.0
123.04437	1.7
123.08047	2.8
124.11226	1.7
125.05955	1.7
125.09620	2.0
128.06183	2.9
129.06985	3.3
131.04912	1.8
131.08592	4.1
132.11310	3.6
133.06482	3.4
133.10124	3.7
135.04393	1.2
135.08070	3.7
137.05989	3.3
140.10693	1.0
141.06940	2.2
141.11057	1.5
142.07797	5.0
142.12270	2.5
143.08571	6.7
143.12631	2.0
145.06485	7.0
145.10092	5.0
147.08044	2.9
147.11684	1.0
149.05965	1.8
149.09624	2.8
152.06227	1.2
152.10689	1.4
153.05479	1.5
153.06920	1.7
153.11026	1.5
154.07756	1.2
154.54257	0.9
155.08513	4.7
156.09396	5.0
157.06447	2.5
157.10094	7.8
159.08031	4.7
159.11629	3.2
161.09550	4.4
163.07466	1.1
165.07007	3.4
165.09073	1.3
166.07738	1.5
167.08540	4.9
168.09291	1.7
169.06511	1.3
169.10146	7.0
170.10837	2.8
171.06610	1.6
171.08061	4.4
171.11655	8.8
171.14912	2.5
172.08771	2.5
172.15308	1.2
173.09619	5.4
173.13228	2.0
175.07465	1.6
175.11182	2.3
177.02419	2.7
177.05486	1.5
177.09108	1.6
178.03177	2.6
179.08481	4.4
180.09352	2.0
181.04935	38.4
181.10118	7.7
182.10933	1.4
183.08022	3.3
183.11681	5.0
184.08904	2.1
184.12401	1.2
185.05920	1.1
185.09598	13.1
185.13319	4.6
186.10358	2.6
186.13950	1.5
187.07607	1.9
187.11143	6.5
189.09076	1.7
189.12762	3.3
191.08501	1.7
192.09296	2.4
193.10092	5.4
194.07274	0.9
194.10875	2.8
195.08046	3.9
195.11659	6.9
196.08832	1.1
196.12355	1.7
196.16922	1.1
197.09608	6.4
197.13235	3.3
198.10387	3.0
199.04002	1.2
199.07524	2.7
199.11142	16.4
199.14801	3.2
200.11949	8.4
201.09111	1.8
201.12721	5.5
204.09117	1.1
205.10204	1.2
206.11082	1.0
207.08054	1.5
207.11665	3.5
208.04214	7.8
208.08754	1.7
208.12480	2.9
209.09579	7.0
209.13239	5.0
210.10283	1.7
211.07564	1.5
211.11162	6.4
211.14754	1.7
212.08281	1.2
212.11902	3.1
213.09105	3.3
213.12692	13.3
213.16267	1.3
214.13463	11.3
215.10695	2.0
215.14160	1.7
217.10265	1.8
217.12091	2.0
218.10857	2.1
219.08099	1.5
219.11606	1.8
220.12428	0.9
221.09630	4.3
221.13243	2.5
222.10312	2.6
222.14099	1.1
223.07535	1.5
223.11078	5.7
223.14796	4.1
224.11932	2.0
225.09077	2.4
225.12701	5.5
226.13548	1.8
227.10703	7.6
227.14198	7.3
229.08415	1.1
229.12267	1.4
232.12541	1.8
233.13268	1.8
235.11137	4.6
236.11987	4.9
237.12711	4.6
237.16460	3.5
238.09854	1.0
239.10542	1.9
239.14290	4.1
241.08580	1.6
241.12143	4.2
241.15852	3.4
247.14841	2.9
249.12674	2.6
250.13499	4.8
251.06972	0.9
251.10577	2.6
251.14297	6.5
253.12146	6.6
255.10049	1.3
255.13818	4.7
255.17430	2.4
260.11899	1.2
265.15833	10.4
267.13843	2.9
268.14545	3.3
269.11777	2.4
269.15329	13.1
275.14099	1.2
278.13013	2.5
279.10168	1.3
281.11566	1.0
282.12521	1.2
283.13361	4.1
283.16898	19.5
293.12271	1.2
293.15341	14.6
296.13791	1.6
303.99860	1.2
311.16373	100.0
311.25058	16.4
312.15463	33.6
312.26318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03952	3.1
55.01870	32.9
55.05508	55.9
57.03426	7.2
57.07055	5.0
65.03931	3.6
67.05501	53.0
69.03437	5.5
69.07063	23.1
70.06593	7.3
71.01810	3.5
71.04987	11.0
71.74023	2.7
72.04502	3.1
72.08150	37.8
75.15055	2.5
79.05488	59.9
81.03411	5.9
81.06571	4.7
81.07054	84.0
83.04978	36.3
83.08618	32.2
84.08148	5.4
85.06515	4.5
85.98878	2.5
87.41969	2.7
91.05468	36.8
93.07040	41.9
95.04967	18.4
95.08598	31.3
97.06526	39.8
97.07635	15.6
97.10168	34.2
98.83363	2.5
100.07609	47.4
100.11285	2.5
101.07951	14.9
105.07027	27.6
107.04953	7.3
107.08587	100.0
109.06509	10.8
109.10141	14.1
110.09691	7.4
111.04443	10.3
111.08073	8.9
113.06000	10.3
114.10278	24.7
117.07018	6.6
119.05897	2.4
119.08579	13.5
121.06501	5.3
121.10157	15.3
123.08097	2.9
123.11691	5.6
124.11217	10.7
125.05991	8.6
125.09630	88.8
131.08586	13.1
132.08957	2.9
132.11334	3.9
133.10117	12.7
135.08040	6.5
135.11685	14.7
139.11176	7.0
140.10689	10.1
141.07005	3.8
141.11012	5.0
142.12271	12.0
143.08548	4.9
143.12604	10.6
145.10126	17.5
147.11685	10.2
149.09666	13.3
149.13239	3.0
152.10721	6.1
153.09074	4.0
153.10968	5.1
153.12727	13.8
159.08064	3.5
159.11710	9.8
161.13318	4.0
163.11163	14.9
167.10719	5.6
168.28043	2.7
169.10123	3.9
171.14922	9.1
172.15244	9.1
173.13275	3.7
177.12788	10.3
181.04947	59.2
181.12271	6.0
182.03241	2.8
187.11241	3.5
189.11276	25.6
193.12160	6.1
194.15448	3.8
196.16959	9.5
197.13306	4.8
201.12750	4.6
205.12230	5.0
206.32820	3.0
213.14871	5.6
213.32463	2.7
223.13301	18.8
223.17960	3.5
224.16394	3.3
224.18333	4.4
224.82126	2.7
239.18031	3.7
251.16135	3.1
257.18961	7.1
275.20038	61.4
293.21048	40.5
293.23981	4.4
311.16467	11.6
311.21982	5.5
311.25180	61.6
312.15479	41.7
312.26163	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	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68058	2.3
55.01864	5.9
55.02991	4.0
55.05506	29.2
57.03436	4.1
57.07092	2.7
59.04992	3.1
65.03928	3.6
67.05502	56.4
69.03419	4.3
69.07060	19.0
70.06584	19.3
71.04985	5.8
71.44127	2.6
72.08156	49.3
73.06509	2.5
79.05489	27.8
81.03407	3.1
81.07046	32.3
83.04983	4.9
83.08623	13.9
85.06541	2.6
88.08111	2.5
91.05484	17.9
93.07030	24.8
95.04967	8.9
95.08611	28.6
97.06516	8.3
97.07647	25.8
97.10158	15.9
100.07635	3.6
101.16393	2.9
105.07035	21.8
106.45139	2.3
107.04922	7.0
107.08571	19.1
109.06503	3.6
109.10145	30.1
114.10275	39.9
114.10992	4.1
115.08611	3.0
116.11285	2.5
117.06983	7.3
119.08583	18.7
121.06426	4.7
121.10178	12.1
123.08031	3.9
124.92663	2.6
125.09608	15.0
129.07021	3.0
131.08524	9.6
132.11334	13.7
133.10133	18.8
135.11696	4.9
137.09595	9.0
139.11179	3.8
145.10121	9.9
147.11688	9.2
148.79608	2.7
149.09631	7.4
149.13287	3.7
153.05432	4.3
155.08585	3.0
157.10138	3.2
159.11668	5.7
161.13231	2.8
163.11104	4.1
171.06541	4.9
171.11771	3.5
173.11719	10.8
173.13153	3.4
175.07785	2.9
175.11121	3.8
177.12794	2.9
181.04948	100.0
189.11212	8.4
249.18602	3.1
257.18933	5.3
275.20026	40.2
293.21069	12.0
308.78406	2.6
311.18155	20.4
311.25430	4.2
312.15509	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.93472	2.3
53.17054	1.8
55.01867	6.8
55.05265	2.2
55.05510	32.3
55.55595	2.2
57.03433	5.0
57.07067	4.8
59.05004	5.2
64.21466	2.0
65.03925	2.8
66.21737	2.3
66.33360	2.0
67.05500	79.3
69.03423	7.3
69.07063	14.8
71.04980	9.6
71.08627	70.5
72.08142	12.9
77.98496	2.1
79.05489	25.9
81.03419	6.7
81.07059	28.3
83.04972	26.8
83.08607	12.8
85.02889	2.4
85.06541	2.8
91.05475	28.2
93.07037	31.5
95.04979	11.3
95.08610	35.8
96.88107	2.2
97.06535	14.6
97.07643	7.1
97.10166	8.2
98.22802	2.2
99.08094	46.0
105.07021	12.0
107.04934	4.9
107.08573	14.6
109.06535	7.6
109.10153	39.9
111.08089	2.8
114.10260	13.5
117.07008	5.8
119.08597	15.4
121.06541	2.6
121.10144	8.6
123.08092	3.8
125.09624	7.5
127.11170	2.3
131.08549	7.5
133.10104	15.9
135.08092	2.6
135.11623	4.0
137.09573	13.0
139.11168	71.0
140.11530	2.4
143.08572	3.3
145.10162	3.7
147.11668	2.7
149.09581	4.9
149.13234	4.3
151.11185	38.8
155.10674	19.4
159.11684	9.6
161.09622	11.5
163.11070	3.0
165.12752	5.2
171.11711	2.5
173.11740	29.6
176.19547	2.0
177.12766	16.5
179.10603	10.5
181.04945	24.7
189.11212	3.4
191.14310	2.7
195.13777	6.4
229.19563	2.8
247.20538	7.3
257.18961	7.7
275.20078	30.1
276.86957	2.2
293.21088	100.0
294.21426	5.6
311.12738	2.4
311.16446	3.0
311.22098	27.3
311.25366	8.6
312.15533	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01867	18.9
55.02982	3.4
55.05511	21.6
56.85329	1.7
57.03427	4.0
57.07074	10.2
62.00676	1.5
63.89794	1.8
65.03944	2.7
67.05497	28.8
69.07069	14.9
70.04051	2.3
70.06595	2.3
71.05000	2.0
71.08620	2.9
71.19160	2.0
72.07784	2.6
72.08153	32.5
73.06541	1.8
76.95797	1.6
79.05472	13.4
81.03396	3.3
81.07053	21.4
83.04958	6.3
83.08618	10.5
91.05467	16.2
92.02608	2.1
93.03383	1.5
93.07033	13.8
95.04970	12.7
95.08602	19.8
97.06547	4.0
97.07645	16.3
97.10168	5.1
98.49135	1.6
99.08077	3.2
100.07610	5.4
105.04526	2.1
105.07015	9.8
107.04978	7.9
107.08582	10.1
109.06474	4.4
109.10128	10.5
111.04437	4.5
111.08060	2.1
114.10280	23.9
117.07023	3.6
119.08563	6.5
120.10509	1.5
121.06493	3.8
121.10136	6.1
123.08044	1.9
123.11696	2.4
125.05994	4.8
125.09634	18.2
127.11169	1.7
130.09727	1.8
131.08545	3.7
132.11354	8.3
133.10095	5.2
135.04408	100.0
135.08043	4.4
135.11668	4.1
137.09583	7.5
142.12271	2.0
145.06435	1.7
145.10132	3.8
146.07259	2.2
147.11748	2.0
149.09644	3.8
149.13234	2.6
151.11157	7.8
153.05431	6.4
159.11678	2.6
161.09618	40.6
162.09991	2.1
163.11142	5.7
167.10677	1.8
171.06502	2.9
171.15141	1.7
173.13167	2.4
177.12766	6.8
179.10477	1.6
180.06604	1.6
181.04953	66.1
181.12230	3.6
182.39799	1.6
187.79195	1.7
191.10620	2.0
191.14220	2.0
195.13902	1.5
209.11707	22.0
237.11168	16.0
247.20644	3.0
257.18958	3.1
275.20099	8.6
293.18002	1.9
293.21024	8.2
295.12863	2.2
311.25510	17.3
312.12045	3.2
312.15491	48.3
312.32611	13.0
313.35785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.42186	2.1
53.03935	4.2
53.14602	2.4
55.01868	33.8
55.05507	56.5
57.03432	4.2
57.07074	19.5
65.03926	6.1
67.05502	52.6
69.03426	7.0
69.07068	30.1
70.04087	11.5
70.06579	2.8
70.55486	4.3
71.04988	13.1
72.08150	46.4
79.05484	55.7
81.03415	6.2
81.07052	78.1
83.04974	35.6
83.08616	35.2
85.02896	5.2
85.06535	3.8
91.05473	33.9
93.07039	37.2
95.04974	19.0
95.08605	29.9
97.06532	40.9
97.07629	23.3
97.10165	35.4
99.08117	4.0
100.07618	11.4
101.07965	3.8
105.07024	24.8
107.04942	5.7
107.08588	100.0
108.08952	2.9
109.06522	9.8
109.10165	12.9
110.09695	2.9
111.04420	20.8
111.08068	8.5
113.05991	10.3
114.10285	36.5
117.07023	8.9
119.08571	19.6
121.06493	5.5
121.10123	16.2
123.08078	6.9
123.11707	3.8
125.06007	9.5
125.09629	77.3
129.06989	3.3
131.08574	14.3
132.11316	8.9
133.10136	11.8
135.08052	6.7
135.11713	13.4
137.09624	3.8
139.07492	2.3
139.11194	6.9
142.12326	2.8
143.08572	4.7
145.10112	14.5
147.08066	3.4
147.11697	7.8
149.09634	11.4
149.13252	3.5
153.05473	13.2
153.09146	4.2
153.12770	10.3
157.10190	2.9
159.11687	6.6
161.13231	2.9
163.11147	13.1
165.12787	3.2
166.46886	2.2
167.10686	4.5
169.10112	5.8
171.06543	3.9
171.14996	2.5
175.11031	3.3
177.12717	5.6
181.04947	93.5
181.12183	12.6
187.11069	5.4
189.11180	26.3
189.12653	3.8
191.10719	9.2
191.14267	2.6
193.12225	2.7
195.13722	3.0
199.05995	3.2
205.12244	8.9
209.11717	48.1
211.13206	3.7
213.14877	4.1
223.13324	14.3
230.62863	2.6
237.11183	34.3
241.14474	3.1
255.12292	9.6
257.18909	4.6
265.17917	4.6
275.17059	3.0
275.20062	63.6
293.21130	32.9
294.24292	8.0
311.25330	20.4
312.15491	74.1
328.55328	2.3
330.90036	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.3
57.03428	8.4
57.07084	7.6
57.07335	3.5
64.38506	4.0
67.05502	45.5
69.07062	57.0
71.09380	6.0
72.08155	18.6
79.05490	33.8
81.03397	7.4
81.07053	55.2
83.08604	15.4
86.62141	4.0
91.05480	48.7
93.07037	100.0
95.04966	89.0
95.08598	87.5
97.06526	23.6
97.07649	7.6
97.10191	4.7
100.07614	10.0
103.05475	6.5
105.07019	78.1
107.08589	52.0
109.06509	15.3
109.10168	40.0
111.90685	4.3
114.10269	11.0
115.05466	4.5
117.07007	20.2
119.08569	75.3
120.08826	4.6
121.06490	19.0
121.10153	58.7
123.08061	18.1
123.11718	13.0
124.11231	5.8
125.09556	7.1
129.07002	7.4
130.07735	7.4
131.08611	21.9
133.10120	45.0
133.15408	3.8
135.04407	6.6
135.08026	13.2
135.11702	17.0
142.07799	9.6
142.72356	4.4
143.08559	15.7
144.09402	4.7
145.10095	47.0
147.11678	22.7
149.13249	7.2
154.27545	3.8
155.08597	5.3
156.09271	4.6
157.10095	31.1
159.11693	45.4
161.09677	7.2
161.13252	11.0
163.14873	4.3
166.64699	4.1
169.10120	11.8
170.10927	4.5
171.11685	16.0
173.13232	8.3
175.14871	9.8
177.16327	20.0
181.04919	25.8
181.10060	5.1
183.11623	6.9
185.13292	9.0
187.11229	5.0
187.14766	8.8
189.16371	14.6
193.10034	5.7
195.11696	6.4
196.17017	6.7
197.13327	9.5
201.16415	16.2
209.13364	5.0
211.14832	10.9
213.16289	5.9
215.17972	5.5
225.16521	5.9
227.18001	4.1
237.11269	3.7
237.16399	6.7
239.18047	4.5
267.20990	4.5
293.22568	7.3
311.23428	42.5
312.15482	37.7
312.26404	8.2
312.36383	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03952	1.6
55.01868	1.9
55.05510	68.9
57.03436	31.8
57.07075	34.3
61.89566	0.8
67.05502	11.1
69.07066	78.8
69.41294	3.6
70.07392	1.1
71.08629	20.1
72.08153	2.1
73.02912	1.2
79.05499	6.4
81.07056	13.1
83.04977	2.2
83.08618	63.1
85.10161	7.6
93.07038	6.6
95.08607	10.2
97.06532	6.9
97.07655	2.0
97.10167	44.4
99.08092	1.1
101.36677	0.9
107.08603	5.5
109.10120	4.0
111.08097	3.0
111.11705	12.5
114.10327	1.3
121.10139	7.8
123.11684	1.7
125.09629	3.3
125.13287	2.2
129.05525	0.9
135.11714	7.0
137.13292	2.1
139.11174	1.5
149.13258	3.2
153.12669	2.0
163.14827	1.5
181.04897	5.7
209.11620	1.5
219.21115	2.6
237.22089	0.9
271.75949	0.8
280.48746	0.9
311.25778	100.0
312.15601	4.6
312.26132	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01867	2.4
55.05511	52.7
57.03438	26.5
57.07072	19.5
59.05006	1.0
61.62311	0.9
65.03939	1.9
67.05504	31.5
69.07066	62.3
69.27695	0.8
69.71482	1.5
69.71867	2.0
70.04010	0.9
71.04988	2.3
71.08626	9.0
72.08151	9.6
73.06552	1.1
79.05496	16.9
80.55898	0.9
80.92863	0.8
81.07055	39.8
83.04971	7.9
83.08619	38.0
85.06561	0.8
85.10189	2.9
86.69989	0.8
91.05484	3.2
93.07041	21.0
95.01313	0.8
95.04964	1.9
95.08602	28.2
97.06535	8.2
97.07649	4.4
97.10164	22.6
99.08078	1.5
100.07610	1.0
105.07037	1.2
107.08589	12.6
109.10144	9.8
111.04405	1.6
111.08083	6.4
111.11717	5.6
113.09652	1.1
114.10292	7.0
114.11470	0.8
121.10146	21.6
123.11685	4.8
125.09600	3.4
129.05423	0.9
132.11330	2.8
135.04402	4.9
135.11673	14.2
136.57306	0.9
137.13258	4.1
139.11171	2.7
140.94452	0.7
149.13264	7.0
153.05417	2.2
153.12721	1.6
161.09624	3.2
161.51440	0.9
163.14806	1.9
169.11142	0.8
171.06477	0.9
181.04950	21.8
183.56227	0.8
191.10675	1.2
198.59048	0.8
209.11703	7.0
219.21027	5.9
225.82993	0.8
225.90021	0.8
237.11134	5.5
237.22130	4.5
255.12199	1.5
311.25784	100.0
312.15506	12.6
312.25989	4.6
312.32480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	2.2
55.05509	64.1
57.03434	25.9
57.07073	35.5
59.05013	1.2
64.67733	0.8
67.05505	9.3
69.07063	73.4
69.36696	4.1
71.04979	1.3
71.08624	19.0
72.08150	1.2
73.02899	1.3
73.06533	1.7
79.05486	7.2
81.07052	13.1
83.04972	1.5
83.08614	64.9
84.08941	1.4
85.10172	6.8
91.05508	0.9
93.07041	9.6
95.08612	8.7
97.06542	6.6
97.10163	42.4
98.10492	1.3
98.22761	1.4
107.08595	6.7
109.10143	3.0
111.08087	2.8
111.11715	10.9
115.07528	1.2
121.10120	8.4
123.11725	1.6
125.09639	1.5
125.13237	2.5
135.11644	6.1
137.13239	1.6
139.11110	1.5
149.13271	2.2
153.12785	2.0
159.74803	0.9
163.14804	1.5
167.14285	1.5
181.04964	2.6
219.21106	1.3
237.22093	1.0
311.25769	100.0
312.15460	2.9
312.22989	0.9
312.25980	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	312.1552
Annotation	Leonurine
Peak:m/z	Relative Intensity
55.02997	6.0
55.05511	3.2
56.17150	0.3
60.05643	1.4
61.79942	0.3
65.03937	3.9
67.05501	1.3
68.05029	0.4
70.98177	0.4
72.05637	2.1
72.08154	45.6
73.06545	1.1
73.08490	0.5
82.04198	1.2
85.02901	2.9
90.09187	1.0
93.03407	1.5
95.04968	1.1
97.06552	1.3
97.07650	24.9
98.07953	0.3
100.63636	0.3
108.02092	0.6
110.03662	2.1
111.04459	0.6
114.10288	34.9
115.08685	1.0
115.10622	0.4
125.06002	1.4
132.11325	10.6
138.03104	1.7
140.04686	1.3
142.02654	0.5
153.05467	6.7
171.06522	4.3
180.06554	0.7
181.04948	100.0
182.05307	2.0
184.97803	0.3
246.96071	0.4
253.10707	0.5
253.71722	0.4
295.12915	2.0
312.15512	60.2
313.15775	2.3
322.11401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01884	0.3
55.02996	5.9
55.05512	2.5
55.22447	0.3
60.05644	1.5
64.73551	0.2
65.03940	3.3
66.33659	0.3
67.05503	1.9
69.07510	2.0
70.74387	0.3
72.05649	2.2
72.08154	44.5
73.06556	2.1
73.08489	0.4
76.40862	0.3
82.04184	1.3
85.02914	2.6
87.81884	0.3
90.09190	1.2
93.03389	1.1
95.04967	0.8
97.06572	1.0
97.07650	26.2
108.02110	0.5
108.22107	0.4
110.03635	2.1
111.04432	0.8
114.10286	36.6
115.08705	1.3
125.05969	1.3
132.11324	11.2
138.03079	1.3
140.04663	1.0
142.02676	0.5
153.05463	6.6
155.07045	0.5
171.06549	3.9
180.06509	0.8
181.04945	100.0
182.05290	1.9
194.74480	0.3
253.10666	0.4
268.00259	0.3
286.39084	0.3
294.59100	0.3
295.12900	1.5
312.15512	69.1
313.15738	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05492	0.6
57.03414	0.2
65.03935	3.6
67.01830	0.2
67.05495	1.7
69.03432	0.9
69.07040	0.3
69.46803	0.8
70.06600	0.2
72.08133	0.3
72.53872	0.2
77.03919	0.2
77.56585	0.2
79.05456	0.3
81.03387	0.3
81.79505	0.2
82.04190	1.5
83.08609	0.5
83.43171	0.2
85.02894	3.2
86.09689	0.2
91.05506	0.2
93.03411	1.2
93.07030	0.2
93.36032	0.2
95.01399	0.2
95.04949	1.3
97.02876	0.6
97.06506	1.5
105.04469	0.4
105.07004	0.2
107.06229	0.2
107.08537	0.2
108.02082	0.7
110.03659	2.0
111.04421	1.0
111.08004	0.2
113.52655	0.2
121.02811	0.2
121.06515	0.2
123.00751	0.2
123.04418	0.2
123.08041	0.5
125.05989	1.3
131.01836	0.2
138.03087	1.5
140.04637	0.5
142.02583	0.8
151.03897	2.1
151.04984	0.2
153.05458	3.3
155.07011	0.2
159.08044	0.2
171.06505	5.0
181.04929	100.0
182.05266	2.9
185.09554	0.4
199.05920	0.2
199.10973	0.2
210.45454	0.2
259.72470	0.2
270.16098	0.2
271.16742	0.4
313.09146	1.6
313.17911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01857	0.5
55.05504	0.4
55.75086	0.3
57.03426	0.5
58.06590	0.4
65.03600	0.4
65.03938	5.5
67.05213	0.3
67.05505	3.0
68.99791	0.3
69.03428	14.1
69.07038	0.4
69.40352	1.1
70.03769	0.3
70.06600	0.5
71.76653	0.2
72.08133	0.9
77.03532	0.3
77.03925	0.9
79.05472	0.8
81.03413	0.4
81.07055	1.4
82.04195	1.7
83.04952	0.4
84.04488	0.8
84.08150	0.3
85.02901	4.8
86.00640	0.7
86.99100	0.2
91.05474	0.4
93.03417	1.6
94.06555	0.3
95.04967	7.9
95.08575	0.4
97.02897	3.9
97.06535	1.7
98.23517	0.3
100.05318	0.2
100.07600	0.9
100.46212	0.3
105.04502	1.4
105.07017	0.3
108.02063	1.1
110.03668	2.7
111.04459	1.2
114.05526	0.7
121.02848	0.4
123.00814	0.3
123.04427	4.8
123.08018	0.3
124.11217	0.8
125.02350	2.1
125.05982	1.7
125.09628	0.4
133.88213	0.3
138.03128	1.8
140.04680	28.2
141.05029	0.7
142.02631	1.2
142.04988	0.6
151.03905	0.7
151.07573	0.5
153.05464	4.2
155.07024	9.1
156.08435	0.7
167.03339	0.6
167.06999	0.6
171.06526	5.8
171.14961	0.3
173.08109	0.4
181.04948	100.0
182.05305	2.8
184.03651	1.5
196.16994	0.4
199.06000	4.9
210.11209	1.7
215.04715	0.6
276.71268	0.3
312.26382	0.5
313.09161	30.6
314.09473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01852	0.8
55.05502	0.6
57.03402	0.4
65.03937	5.1
67.05505	3.4
68.99773	0.5
69.03425	15.8
69.07042	0.6
70.06567	0.4
72.08134	1.0
77.03912	0.7
79.05487	1.6
80.99798	0.3
81.03401	1.0
81.07059	2.3
82.03785	0.2
82.04195	2.2
83.04957	0.5
84.04507	0.6
85.02410	0.3
85.02902	4.6
86.06068	0.4
87.04443	0.5
90.78455	0.3
91.05459	0.5
93.03386	1.1
93.07024	0.7
95.04961	7.7
95.08583	1.2
97.02877	4.3
97.06551	1.5
103.05460	0.7
105.04499	1.3
105.06994	0.7
107.04923	0.5
108.02084	0.8
109.06494	1.1
110.03652	3.3
111.04411	1.4
114.10287	0.5
115.03920	0.4
117.07019	0.3
121.02852	0.5
121.06489	0.4
123.04411	4.4
123.08033	0.7
124.11214	0.3
125.02339	1.9
125.05989	1.2
127.03879	0.5
132.11302	0.8
138.03084	1.9
140.04674	25.7
141.05002	0.6
142.02592	0.8
142.04987	0.4
151.03909	0.7
151.07526	1.3
153.05450	4.4
155.07018	8.2
156.08429	0.3
166.08588	0.7
167.03381	0.4
167.07043	0.4
169.08553	0.3
171.06531	5.8
172.04308	0.3
173.08200	0.5
181.04939	100.0
182.05295	3.1
184.03616	1.8
199.05986	5.0
208.55133	0.3
210.11211	0.8
225.80103	0.3
268.12823	0.4
313.09161	28.7
314.09454	0.8
314.13669	1.2
314.19647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03157	0.2
52.99187	0.2
53.03940	0.4
55.01860	0.6
57.03433	0.7
61.02921	0.2
65.03936	1.6
67.05505	1.5
67.75253	0.2
69.03428	1.1
69.27533	1.0
70.28314	0.2
71.01339	0.2
71.04973	0.2
72.08157	0.4
73.02907	0.4
77.03940	0.3
80.02638	0.2
81.03413	1.2
85.02885	1.0
91.05482	0.3
93.03362	1.0
93.07029	0.4
95.04961	1.5
95.08571	0.4
97.02885	0.7
99.04449	0.8
105.04510	0.3
105.07086	0.2
108.02078	1.6
109.02882	0.4
110.03684	0.2
111.04440	1.9
114.10297	0.2
115.10603	0.2
121.02868	0.7
121.03975	0.3
121.06491	0.3
123.04385	0.3
123.08045	0.6
125.05965	1.0
127.03893	0.4
128.07063	0.4
136.01556	0.2
136.06145	0.2
140.04651	0.4
141.05460	2.2
151.03899	100.0
151.04968	7.4
152.04234	2.4
152.05376	0.2
161.09651	0.2
169.04958	1.5
181.04921	1.9
182.05359	0.5
183.08017	0.2
184.08946	0.2
185.09612	0.6
187.39188	0.2
253.07014	0.4
295.08328	0.5
295.16931	0.3
313.09244	3.3
313.12643	0.4
313.17969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79977	0.2
55.01854	0.2
55.02986	0.3
55.05503	0.3
57.03436	0.2
62.95597	0.2
65.03602	0.2
65.03939	4.2
67.05508	2.0
69.03423	0.7
69.07072	0.2
69.56208	0.8
69.56538	0.2
70.90127	0.2
71.08593	0.2
72.08169	1.5
73.08470	0.5
75.36774	0.2
77.03904	0.4
79.05481	0.6
81.03403	0.7
81.07040	0.6
82.04204	1.7
83.04944	0.2
85.02904	3.3
91.05491	0.3
93.03420	1.4
93.03914	0.3
93.07019	0.2
95.04971	1.3
95.08598	0.4
97.02885	0.8
97.06529	1.4
97.07628	0.5
98.07980	0.3
105.04501	0.2
105.07011	0.5
107.08555	0.3
108.02090	0.8
109.06512	0.3
109.10199	0.2
110.03656	2.6
111.04435	0.8
114.10276	1.0
115.10623	0.5
123.00774	0.4
123.04410	0.3
123.08056	0.5
125.05985	1.2
132.11279	0.2
133.06467	0.3
133.10094	0.3
133.11629	0.2
133.74660	0.2
137.05971	0.4
138.03154	1.5
140.04671	0.4
142.02600	0.6
145.06433	0.3
153.05466	4.1
159.51915	0.2
166.02696	0.2
170.15379	0.6
171.06537	4.5
173.06017	0.2
181.04947	100.0
182.05299	5.0
185.09706	0.2
198.14943	1.0
207.06512	0.8
221.08047	0.7
233.08115	0.4
235.05986	3.1
235.08183	0.2
277.07056	0.4
283.31952	0.2
295.08109	0.7
313.09201	1.9
313.15540	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	313.128
Annotation	Manglieside A
Peak:m/z	Relative Intensity
51.02372	1.5
53.03941	7.3
55.01873	5.2
55.05515	7.9
57.03435	8.0
65.03938	2.8
67.05505	26.9
69.03431	42.1
71.04599	2.7
71.04989	6.3
73.02922	3.5
74.26460	1.2
76.17213	1.3
77.03916	3.1
79.05485	22.8
81.03411	26.8
81.07052	26.0
83.04982	4.2
85.02897	21.8
91.05478	38.1
93.07040	31.9
95.04975	10.7
95.08604	81.8
97.02883	12.2
97.06530	4.2
99.04449	9.7
103.05493	3.4
105.04551	2.5
105.07024	98.1
106.07372	1.8
107.04956	10.6
107.08589	12.4
109.02882	11.4
109.06521	19.4
111.04438	3.7
115.05421	2.6
119.08602	2.9
121.06487	11.1
123.04440	4.0
123.08067	42.9
125.06009	4.9
125.09679	2.0
127.03916	25.5
128.06227	2.0
129.05443	3.2
129.07005	2.4
131.04956	1.4
131.08583	3.0
133.06494	19.0
139.07552	6.3
141.05496	4.0
143.02338	1.4
145.04973	2.2
145.06473	2.0
149.05988	4.8
151.07539	100.0
152.07898	1.7
152.23207	1.3
159.08064	2.2
161.06035	2.0
166.92403	1.5
167.06996	6.9
169.08598	53.4
175.07532	2.1
277.10620	1.3
295.11771	6.6
313.12802	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1281
Annotation	Manglieside A
Peak:m/z	Relative Intensity
53.03951	8.6
55.01865	4.9
55.05513	9.3
57.03435	8.4
61.02927	3.8
65.03945	2.6
67.05499	24.3
69.03430	48.6
69.77460	2.0
71.01367	2.8
71.05000	7.2
73.02917	6.6
77.03925	4.7
79.05487	24.9
81.03422	33.3
81.07057	31.9
81.07501	2.9
83.04973	16.4
85.02901	29.2
91.05479	28.3
93.07050	39.7
95.04992	8.5
95.08605	74.9
97.02888	12.8
97.06525	4.4
98.23088	15.4
99.04439	11.5
103.05496	4.4
105.07028	100.0
106.07380	2.7
107.04963	13.2
107.08586	16.6
109.02907	13.8
109.06535	23.6
111.04451	8.2
115.05485	3.1
117.07045	6.7
119.08571	2.8
121.06519	13.3
123.04427	5.2
123.08068	41.9
125.06001	7.3
125.09658	3.8
127.03901	24.9
129.05490	5.5
129.06976	5.6
131.04942	4.9
131.08600	3.1
133.06479	28.7
135.08101	4.9
139.07562	7.7
141.05487	4.0
141.07001	5.0
141.54141	2.6
142.07721	3.0
145.04959	4.3
145.06546	3.7
147.08063	7.5
149.06001	9.8
151.07539	89.7
151.08746	4.6
159.08026	5.1
161.06041	2.5
163.07573	4.4
167.07059	12.3
169.08609	48.6
171.54819	2.7
175.07565	4.6
181.10117	2.7
187.07683	2.6
210.00343	2.7
217.08798	3.6
231.10243	3.8
249.11246	3.1
259.09689	3.1
272.85068	2.3
275.19925	2.5
277.10873	3.4
295.11801	5.9
313.12784	36.7
319.38098	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01872	5.1
55.05512	7.6
57.03432	11.8
60.49103	2.3
61.02951	2.7
65.03941	2.1
65.46936	2.0
67.05494	29.1
69.03426	48.4
69.16154	17.2
69.40056	2.6
71.04985	8.5
73.02929	3.8
77.03969	2.5
79.05482	26.5
81.03416	38.2
81.07050	31.3
81.60448	2.3
83.04957	15.1
85.02900	34.7
91.05469	40.7
93.07040	34.2
95.04961	14.0
95.08598	73.0
97.02881	13.6
97.06537	5.2
98.23439	5.1
98.35637	2.3
99.04453	12.3
103.05466	8.3
105.04550	3.2
105.07023	100.0
107.04916	12.7
107.08580	13.3
109.02870	19.4
109.06509	22.1
111.04469	6.5
117.07061	5.5
119.04933	2.4
119.06039	2.5
119.08611	3.0
121.02851	3.0
121.06499	17.4
123.04429	7.3
123.08053	46.3
125.06001	9.5
127.03918	31.9
128.06296	2.6
129.05469	4.9
129.07005	2.6
131.04967	4.0
131.08533	3.0
133.06480	34.8
135.08047	4.3
137.06036	2.9
139.07526	7.2
141.05421	2.9
145.04982	3.3
145.06497	4.6
147.08035	8.0
149.05992	6.4
151.03899	7.8
151.07524	91.4
151.08746	5.1
159.08018	4.4
162.27425	2.2
163.07495	4.2
167.07071	10.3
169.08591	48.7
173.04549	3.4
175.07579	3.8
181.86359	2.4
185.09741	3.8
189.09151	3.1
217.08759	3.4
277.10724	5.4
295.11893	6.7
313.12762	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1797
Annotation	Centrolobine
Peak:m/z	Relative Intensity
50.56888	1.7
53.03960	3.0
55.01873	4.5
55.05515	11.8
56.05852	2.1
57.03447	9.7
57.07072	2.2
65.03957	2.2
67.05505	25.3
69.03448	3.4
69.07079	5.5
69.46429	3.0
69.46819	5.1
70.50423	1.6
71.05019	2.3
72.08146	3.7
79.05495	9.7
81.03421	52.4
81.07053	14.4
83.04980	48.4
83.08625	3.1
85.02899	3.0
85.06551	2.4
87.14238	2.0
91.05484	12.6
91.36578	1.8
93.07052	18.5
94.07382	2.4
95.04973	48.5
95.08607	26.8
96.05309	2.3
97.06543	5.6
98.97634	3.1
105.04538	2.2
105.07031	17.7
107.04967	4.7
107.08597	13.8
108.08957	2.8
109.02883	5.9
109.06521	16.9
109.10196	4.6
115.05493	3.8
116.98625	2.2
117.07027	6.1
119.08575	11.6
121.06496	21.3
121.10204	5.0
123.04449	5.0
123.08067	76.3
129.07027	4.4
130.43953	1.8
131.04892	2.5
131.08554	8.8
133.06502	6.3
133.10133	16.8
135.08011	13.3
142.07817	4.6
143.08617	6.2
143.52730	1.8
145.06477	10.0
145.10149	11.1
147.08035	9.3
147.11737	6.4
149.09593	8.4
149.13332	7.5
150.13565	9.3
151.07538	4.1
151.11229	2.5
154.07741	2.4
155.08589	6.4
157.10144	6.6
159.08102	5.9
159.11760	7.5
160.08838	2.9
161.06062	2.2
161.09648	18.8
163.07600	3.4
163.11185	5.8
166.07854	2.2
167.08603	2.0
168.09282	2.0
168.14699	3.4
169.06499	3.0
169.10139	4.9
171.08134	5.3
171.11696	4.6
172.08839	2.2
173.09686	5.4
173.13268	4.8
175.11234	8.3
176.11940	2.3
177.09166	2.5
177.12787	4.1
181.10237	2.7
182.05334	6.1
183.08110	5.5
183.11705	4.8
184.08777	3.7
184.16969	2.9
185.09604	13.7
185.13219	2.2
185.17303	4.1
187.11211	5.1
189.12671	2.6
190.13571	2.6
191.10666	2.4
191.14323	10.8
193.10188	1.9
195.11774	2.4
196.08859	2.5
197.09663	7.8
197.13303	3.3
199.11256	6.6
201.12808	5.8
205.12263	11.8
207.11609	3.1
209.09746	5.6
209.13268	4.0
211.11198	10.6
211.14967	3.9
213.09451	1.8
213.12802	6.5
215.10725	4.9
219.12009	2.9
219.13750	11.9
223.93919	1.7
225.12805	3.6
227.10800	2.4
227.14310	2.9
229.12308	3.5
235.11386	2.6
237.12733	3.2
239.14439	8.1
241.12379	3.0
243.13855	2.8
251.14134	2.5
253.12315	2.9
253.15929	6.5
255.13870	5.9
257.15482	6.9
267.17526	8.3
267.21475	12.0
270.16086	2.5
271.17038	6.1
285.18570	5.2
295.17032	20.6
295.21069	21.7
296.17145	2.1
298.15723	2.4
313.18073	100.0
314.18530	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	313.1794
Annotation	Centrolobine
Peak:m/z	Relative Intensity
53.03935	5.5
55.01869	5.3
55.05504	6.8
57.03430	12.3
57.07071	1.9
65.03944	4.3
67.05500	36.3
69.03404	2.9
69.07043	5.0
69.48263	6.8
77.03895	2.2
79.05487	10.5
81.03411	59.0
81.07050	14.0
83.04974	3.4
85.06528	2.8
90.05344	1.4
91.05474	13.2
93.07032	18.4
95.04960	55.5
95.08604	44.3
97.06534	5.6
105.07024	27.8
107.04933	4.7
107.08595	14.1
109.06513	25.1
109.10186	2.3
111.08131	2.7
115.05422	2.3
117.07047	5.0
119.04943	3.4
119.08567	12.8
121.06505	21.2
121.10152	5.4
123.04439	3.7
123.08057	94.7
123.11698	2.1
128.06195	2.3
129.06982	4.7
131.04906	2.9
131.08539	9.2
133.06499	6.6
133.10126	20.3
135.08037	13.4
135.11731	2.9
137.09586	1.9
141.06949	3.8
142.07791	4.7
143.08580	8.8
145.06456	13.6
145.10112	9.1
147.08058	14.9
147.11690	6.6
149.09610	7.2
149.13179	2.5
151.07549	3.3
151.11209	4.5
155.08574	6.5
157.10109	6.5
158.07286	1.8
158.10951	3.1
159.08063	5.4
159.11670	7.3
161.05994	2.0
161.09616	22.0
161.13298	2.6
163.07646	2.8
163.11166	5.1
165.06960	2.1
166.07806	2.0
167.08398	3.9
168.09346	2.1
169.06451	1.9
169.10135	5.9
170.10960	1.8
171.07977	2.9
171.11690	7.1
172.08846	2.7
173.09616	5.2
173.13280	7.4
175.07535	2.5
175.11162	12.2
176.11905	3.7
177.12755	5.9
179.08467	2.6
180.09325	2.3
181.10074	5.6
182.07298	2.3
182.11087	1.7
183.08032	5.6
183.11696	7.5
184.08833	4.5
185.09592	18.5
185.13264	3.4
186.10229	2.2
187.07506	2.9
187.11145	6.0
189.09134	2.7
189.12634	3.9
191.10699	3.1
191.14247	13.3
193.10162	3.5
194.10912	2.6
195.11713	4.7
197.09605	7.4
197.13257	2.4
199.11171	8.4
199.14761	2.2
201.12776	4.3
203.10834	1.9
205.10437	2.0
205.12231	10.4
209.09630	5.3
211.11179	12.0
211.14799	4.0
212.11919	2.3
213.12720	5.9
215.10712	3.2
217.12267	2.4
219.13733	20.7
223.11180	6.5
224.11845	2.5
225.12778	3.0
227.10657	3.3
227.14369	4.7
229.12263	3.1
229.15750	2.1
231.13765	3.6
237.12704	5.2
239.14326	8.2
241.12291	2.5
249.16415	3.5
251.14302	3.4
253.15833	6.6
255.13800	5.5
257.15359	7.2
265.12183	2.7
267.17471	6.9
269.15411	3.4
271.13568	2.1
271.16998	4.9
277.16006	3.2
285.18478	5.7
295.16882	19.8
313.17953	100.0
314.18207	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	313.1797
Annotation	Centrolobine
Peak:m/z	Relative Intensity
51.25639	1.2
53.03936	5.3
53.31001	1.1
55.01861	3.2
55.05508	6.0
57.03435	10.6
65.03925	4.7
65.84254	1.0
67.05496	26.8
68.82206	1.2
69.03419	3.7
69.07057	3.5
69.75019	2.5
69.75405	2.3
79.05495	7.1
81.03413	71.0
81.07050	9.0
83.04974	6.0
83.08622	2.0
91.05464	11.7
93.07043	10.1
95.04961	100.0
95.08608	7.8
96.05280	1.8
97.06532	1.5
103.05441	1.2
105.04490	1.4
105.07021	17.8
107.04945	6.6
107.08599	12.2
109.06507	23.1
109.10145	4.4
111.08080	1.3
115.05424	1.2
117.07004	4.9
119.04932	1.9
119.08567	16.3
121.06496	18.8
121.10117	6.5
123.04410	10.8
123.08061	14.7
125.09570	1.3
127.72262	1.0
128.06194	2.0
129.06996	4.8
131.04913	3.4
131.08530	9.4
133.06491	7.6
133.10117	38.9
133.11153	2.1
135.08063	14.2
135.11682	4.1
137.06030	1.5
137.09581	4.2
141.05452	2.3
141.06993	3.1
142.07756	4.5
143.08531	8.0
144.09311	1.8
145.06483	8.7
145.10095	10.7
147.08047	6.6
147.11691	6.4
149.05939	2.0
149.09607	10.1
149.13225	2.4
151.07555	2.5
151.11209	1.6
151.18634	1.1
153.06926	1.3
154.07721	1.9
155.08492	5.9
156.09335	4.7
157.06464	1.5
157.10088	9.5
158.10887	5.1
159.04376	6.6
159.08047	5.7
159.11674	7.6
160.08823	1.9
161.05965	3.3
161.09584	12.6
161.13232	1.3
163.07521	1.2
163.11172	9.1
165.06992	3.0
167.08488	2.2
168.09377	2.1
169.10150	7.4
170.07291	1.3
170.10892	2.2
171.08011	3.9
171.11707	7.9
172.08679	1.4
173.09673	7.2
173.13251	19.8
175.07536	3.6
175.11198	11.7
177.09096	2.1
177.12694	9.1
178.42949	1.2
179.08580	1.6
180.09381	1.9
181.10075	3.7
182.07216	2.0
183.08029	4.1
183.11696	5.0
184.08755	2.1
185.09642	6.5
185.13240	5.4
186.10265	1.3
187.11172	7.3
188.11873	1.6
189.09097	2.0
189.12822	6.3
191.10420	1.4
191.14273	19.0
193.10124	2.2
195.08156	1.6
195.11694	3.4
196.08771	2.8
196.12540	1.5
197.09615	7.8
197.13229	4.1
198.10355	1.7
199.11147	6.4
201.09090	2.1
201.12756	4.9
203.10599	2.3
203.14310	1.4
205.10291	2.4
205.12209	20.4
206.10922	2.3
207.11687	2.8
209.09575	2.6
209.13287	3.2
210.10402	2.1
211.11165	8.7
211.14804	1.8
213.09245	1.8
213.12764	8.7
214.13487	1.3
215.10667	4.2
215.14165	1.5
219.11792	2.1
219.13814	8.4
223.11241	2.9
223.14777	2.8
225.12695	3.6
225.16298	1.4
227.14284	3.7
229.12265	3.8
231.13750	2.6
233.13284	1.5
235.11133	1.3
237.12703	4.0
238.13495	2.3
239.10614	2.0
239.14348	6.3
241.12227	3.2
241.15826	3.0
248.11661	1.3
249.16354	4.0
251.14314	4.6
252.14957	1.4
253.15863	5.5
255.13963	3.4
257.11838	1.7
257.15323	4.4
262.13495	2.3
267.17398	15.8
269.15298	6.4
270.16107	2.3
271.16946	3.4
277.15851	3.5
280.14694	1.4
285.18369	11.1
295.16901	21.4
313.17950	86.1
314.18231	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	313.1797
Annotation	Centrolobine
Peak:m/z	Relative Intensity
51.41515	1.0
53.03934	4.3
55.01857	3.3
55.05497	4.7
57.03438	7.5
57.07069	1.1
63.21634	1.1
65.03930	3.6
66.28046	1.1
66.28403	1.1
67.05164	2.0
67.05505	26.2
69.03428	4.1
69.07050	3.0
69.78409	3.1
70.58530	1.1
77.03870	1.3
79.05487	8.1
81.03416	71.7
81.07054	5.2
83.04979	7.5
83.08609	2.2
85.25455	1.2
91.05463	11.0
93.07051	8.6
95.04965	100.0
95.08618	6.4
95.23842	1.3
96.05301	1.5
97.06543	2.8
97.86613	1.1
98.22760	1.6
103.05427	1.5
105.07027	14.6
107.04939	8.4
107.08581	13.0
109.06509	20.2
109.10150	3.0
111.04425	1.5
111.08118	1.6
114.10262	1.5
115.05445	1.2
117.07015	3.7
119.08585	15.3
121.06502	19.1
121.10161	7.8
123.04409	11.4
123.08057	9.8
123.11649	1.2
128.06198	1.5
129.07013	3.6
131.04906	3.8
131.08536	9.1
133.06468	5.0
133.10127	39.7
133.11128	2.0
135.08047	13.3
135.11671	4.3
137.05991	2.1
137.09599	4.5
141.05418	3.5
141.06947	1.6
142.07774	3.4
143.08582	7.8
144.09302	2.0
145.06479	7.2
145.10109	10.0
147.08070	9.5
147.11734	6.6
149.05986	2.0
149.09624	11.5
149.13245	2.5
151.07539	2.1
151.11223	1.9
154.07823	1.3
155.08568	3.2
156.09337	2.7
157.10112	9.1
158.10884	4.9
159.04391	6.7
159.08038	6.3
159.11691	8.7
160.08771	1.7
161.05920	1.9
161.09608	11.0
161.13268	1.7
163.07468	1.5
163.11191	7.7
165.06996	2.7
167.08626	2.6
168.09402	1.5
169.10106	5.5
170.10898	2.1
171.08029	4.0
171.11702	8.3
173.09663	5.8
173.13248	18.4
175.07538	4.4
175.11209	10.7
177.09140	2.3
177.12747	8.6
179.08397	1.4
181.04979	2.0
181.10139	2.9
182.05360	2.5
182.07196	1.5
182.10857	1.8
183.08058	2.8
183.11705	4.1
184.08823	1.9
185.09612	5.8
185.13257	5.0
186.10327	1.4
187.11136	7.0
189.09122	1.9
189.12718	6.3
191.10712	1.2
191.14282	18.7
192.09386	1.2
193.10010	2.4
194.11000	1.6
195.08054	1.9
195.11700	5.1
196.08861	2.3
197.09618	6.7
197.13239	2.0
198.10303	3.1
199.11174	5.0
201.09138	1.5
201.12750	3.4
203.10620	1.7
203.14322	2.3
205.12215	21.2
206.10815	1.6
207.11723	2.4
208.12628	1.3
209.09634	2.8
209.13292	1.8
210.10358	2.4
211.11200	8.3
211.14638	2.6
213.12663	9.3
215.10707	3.4
217.12408	1.2
219.11845	2.5
219.13812	6.0
220.12437	1.9
221.13293	2.3
223.11168	3.6
223.14774	2.0
225.09091	1.3
225.12709	3.0
225.16431	1.2
227.14261	5.5
229.12265	3.4
229.15858	1.7
231.13823	3.9
235.14854	1.7
237.12761	4.9
238.13478	1.5
239.10565	2.2
239.14297	7.4
239.17989	1.7
241.12239	2.1
241.15958	1.9
247.11133	2.1
249.16336	2.3
251.14325	3.8
252.14980	2.7
253.12164	1.5
253.15810	2.9
255.13882	1.9
257.11661	2.5
257.15384	5.8
262.13388	2.7
267.17422	16.5
269.15350	6.9
270.16052	1.7
271.16995	4.2
277.15881	4.6
285.18356	9.4
294.50226	1.1
295.16901	25.5
313.10507	2.8
313.17984	89.2
314.18372	4.4
325.98270	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07676	0.6
55.05506	8.7
57.03436	26.4
57.07074	70.4
67.05500	13.2
69.07062	13.5
70.71498	1.4
71.08627	42.5
75.04481	1.1
79.05479	1.8
81.07051	17.7
83.04976	1.3
83.08616	15.8
85.06548	1.2
85.10178	22.3
85.10698	1.1
86.11073	0.6
89.06017	3.8
93.07051	1.0
95.08600	23.8
97.06524	0.9
97.07607	0.7
97.10164	8.3
99.11730	1.7
103.07597	2.8
109.10149	13.1
111.11716	1.9
117.09139	1.4
121.10134	1.1
123.08072	0.9
123.11714	5.1
124.12011	0.7
125.13228	0.8
133.10115	0.7
137.13228	1.4
175.86343	0.7
181.05000	1.0
182.05310	1.7
221.22667	0.9
239.23792	4.9
257.24750	8.9
263.78436	0.7
268.09079	0.7
313.27344	100.0
314.27798	4.6
337.09686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.4
57.03437	15.2
57.07072	58.2
67.05502	12.1
69.07066	9.4
69.86464	2.2
71.04990	0.8
71.08627	41.9
72.08141	2.3
73.06538	0.6
73.08495	0.8
75.04453	0.8
79.05486	1.3
81.03414	1.1
81.07053	15.4
83.04955	0.7
83.08127	0.7
83.08617	10.7
85.06535	0.7
85.10176	21.2
89.06007	2.4
93.07005	1.2
95.04957	1.2
95.08601	21.5
97.07639	0.9
97.10169	5.9
98.23383	0.7
99.11727	1.1
103.07578	1.7
107.08615	0.6
109.06503	0.6
109.10156	8.6
111.11695	1.2
112.82034	0.6
114.10311	1.0
115.10601	0.7
119.08613	0.7
123.08047	1.8
123.11696	3.7
132.36659	0.6
137.13261	1.6
151.14841	0.7
181.04956	1.7
182.05318	3.8
239.14316	0.6
239.23740	2.0
247.20090	0.8
257.24759	2.4
297.76205	0.7
312.36237	0.9
313.15329	3.0
313.27353	100.0
314.27704	4.2
316.03113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72193	0.8
55.05509	9.3
55.30282	0.6
57.03148	0.9
57.03434	23.1
57.07072	76.2
58.07402	0.9
59.62031	0.7
60.43442	0.6
67.05501	13.9
68.09589	0.7
69.07061	12.3
70.70201	1.4
71.04992	0.9
71.08626	48.1
72.08147	0.9
73.06553	0.8
75.04478	1.1
79.05508	1.9
81.07052	19.0
83.04979	0.9
83.08617	15.9
85.06541	0.7
85.10176	23.3
89.06017	4.6
93.07048	0.7
95.08598	25.1
97.10165	7.6
99.11732	1.9
103.07561	2.9
109.10143	12.0
111.11699	2.5
113.13289	1.3
121.10091	0.9
123.11698	4.6
135.11668	1.1
137.13272	1.4
160.68071	0.8
196.69368	0.7
239.23686	5.7
257.10403	0.8
257.24707	7.3
313.27338	100.0
314.27719	5.5
314.33975	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.03181	1.0
57.03435	14.2
57.07073	54.7
58.07415	0.7
67.05501	10.0
69.07066	8.5
70.05932	1.7
71.08627	36.2
75.04462	0.6
79.05485	0.7
80.19762	0.6
81.07056	12.9
83.08614	9.6
85.06514	0.9
85.10175	18.3
86.02895	0.5
89.06023	2.3
93.07047	1.2
95.08604	18.4
97.06560	0.6
97.10172	5.0
99.11721	0.7
101.37125	0.6
103.07587	2.0
107.69548	0.7
109.10149	8.8
111.11722	0.7
117.09173	0.7
123.11681	2.9
137.13249	1.4
144.67346	0.6
160.72366	0.5
166.18195	0.5
182.05244	1.0
203.30386	0.6
239.23682	3.3
257.24738	2.8
313.27347	100.0
314.27722	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.5
57.03186	1.3
57.03436	18.7
57.07072	63.1
67.05495	10.9
67.39291	0.7
69.07063	8.6
69.20638	4.5
71.08627	43.0
79.05454	1.9
81.07049	13.4
83.08613	12.7
85.06557	0.9
85.10173	22.2
85.79192	0.7
89.06013	3.1
93.07034	1.3
95.08598	22.9
97.06527	0.9
97.10164	5.4
98.22762	1.2
99.11716	1.9
103.07570	2.8
109.10150	11.0
111.11685	2.2
113.13303	0.9
123.11702	5.4
125.13248	1.5
132.35774	0.7
137.13269	1.8
145.12277	0.8
151.14778	0.9
165.16409	1.3
239.23787	3.8
254.69333	0.9
257.24686	8.3
313.27338	100.0
314.27707	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	0.8
55.05509	9.9
57.03144	1.0
57.03436	26.6
57.07073	67.2
65.03945	0.8
67.05164	1.0
67.05504	14.5
69.07066	11.7
69.96024	2.0
71.08627	42.4
75.04494	1.0
79.05474	1.5
81.07056	18.3
83.08619	16.2
85.06538	0.9
85.10178	22.6
85.10699	1.1
89.06029	3.6
93.07038	0.8
95.08601	24.9
97.06512	0.8
97.10168	6.3
99.11716	1.2
103.07578	3.8
109.10155	12.4
111.11729	0.8
117.09135	0.7
118.34848	0.6
123.11701	5.5
124.93282	0.7
125.13238	0.9
137.13252	1.8
151.14778	1.5
162.48686	0.6
182.05374	1.0
239.23685	5.0
257.24728	8.7
313.27338	100.0
314.27765	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	314.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55014	0.3
56.96548	0.7
82.99865	0.3
84.04501	0.5
84.08162	0.4
84.90959	0.3
85.02863	0.4
86.09701	2.4
98.97565	1.3
101.00863	1.2
108.08113	1.7
116.98611	0.8
119.01909	3.3
122.97813	0.4
136.07620	0.3
137.02924	0.6
140.98750	0.6
142.03464	0.5
152.05635	1.1
152.07034	1.0
156.03761	1.5
157.03412	1.0
158.99870	3.2
160.04565	1.2
167.05382	0.7
172.04559	0.6
177.00938	30.7
178.01068	2.6
182.99814	1.8
184.04503	1.4
185.01453	1.2
186.09772	1.2
201.00903	8.1
201.02724	0.6
202.00900	0.7
202.05669	1.6
203.02490	23.1
204.02614	1.6
204.10663	0.6
205.00439	0.3
214.07460	0.3
214.09193	2.3
218.03662	1.7
219.01985	100.0
220.02126	9.2
221.01978	0.9
231.03596	0.5
231.05696	4.1
232.10274	5.4
236.99501	1.0
237.99416	0.3
240.05859	0.3
242.03658	0.8
242.07066	0.8
245.03670	0.4
247.01541	2.5
261.03152	0.5
268.08917	2.8
271.05219	0.3
272.08417	0.4
273.13013	0.4
277.00912	0.5
284.08261	8.2
285.08517	1.0
287.08340	1.1
288.08432	0.4
296.08234	2.7
314.05484	0.3
314.09308	33.1
315.09561	3.6
332.10367	63.5
333.10522	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	315.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.83779	0.6
55.05494	0.9
57.03405	0.9
57.14856	0.6
65.03928	1.8
67.05505	3.7
69.03428	0.7
69.07042	1.4
70.06566	0.5
71.16569	0.6
72.08153	3.1
73.08469	0.8
79.05479	2.5
79.28762	0.6
81.03415	5.5
81.07040	3.2
83.04951	0.7
91.05464	3.1
92.04971	1.7
93.07053	3.1
94.06534	0.9
95.01299	1.0
95.04967	7.0
95.08583	2.8
97.06498	0.9
98.97578	1.2
104.04940	0.6
105.06998	3.5
107.04910	0.7
107.08565	2.6
107.09259	0.5
108.04477	0.6
109.06512	1.6
109.10119	1.8
118.04161	0.7
119.04973	0.8
119.08558	2.4
120.04448	4.4
121.06470	2.2
121.10099	3.2
122.06021	1.1
123.04392	1.0
123.08080	3.6
123.11676	1.4
129.06998	1.8
129.78712	0.6
131.08580	1.3
133.06462	1.1
133.10097	2.2
135.08038	2.1
135.11656	1.1
136.07547	2.7
137.09570	0.9
139.07495	0.6
141.05580	0.6
141.06929	1.3
143.08569	1.1
144.08034	1.3
145.06462	1.3
145.10114	2.3
146.05984	0.7
147.08014	1.3
147.11635	0.7
148.03932	3.3
149.09558	1.1
152.01044	0.8
152.06123	1.3
153.01846	0.8
153.06921	1.2
154.06493	0.8
154.07729	0.9
155.08530	1.4
156.06827	0.6
156.08058	1.1
157.10066	3.0
159.11688	1.5
161.05942	2.6
161.09613	1.5
162.05496	1.4
163.11147	1.2
165.06898	0.9
167.07289	3.9
167.08536	1.0
168.08067	2.5
169.01300	4.4
169.07574	1.4
169.08865	1.7
169.10123	1.5
170.08345	3.1
170.09679	1.7
171.11665	1.0
172.07529	1.2
172.11087	0.7
173.08319	1.1
173.09615	1.3
173.13237	1.0
175.11156	0.8
177.09027	0.8
177.12729	1.0
180.17435	1.6
181.17892	1.0
182.09607	4.4
183.09151	2.3
183.11745	0.7
184.07497	1.4
184.09883	3.2
184.11252	2.6
185.07011	0.8
185.10713	1.3
187.08614	2.5
187.11176	1.0
189.10233	1.0
189.12717	0.8
192.08017	0.6
194.09712	0.9
196.07539	1.8
197.04497	1.0
197.06850	3.9
197.08446	1.8
197.20183	0.9
198.07718	7.2
198.09206	1.6
198.20364	1.4
199.08585	1.8
199.12325	6.8
199.14986	0.7
201.12675	1.0
209.10811	1.1
210.07205	0.9
210.09137	11.2
211.08594	7.9
212.09189	13.5
213.10159	10.4
215.08025	0.7
221.15393	1.5
222.07758	0.9
223.08667	1.0
225.06561	2.5
225.10214	1.7
225.12595	0.6
226.07123	5.3
226.10779	0.9
227.08159	1.3
227.11786	25.6
228.12207	0.9
237.10216	2.7
238.08592	4.4
239.08054	3.9
240.08856	14.2
241.09706	38.2
241.15871	1.0
242.10002	1.9
254.05782	1.5
254.10497	1.5
255.11272	100.0
256.11609	4.4
259.16840	0.9
266.08075	1.2
269.19067	1.0
271.06079	4.4
273.18536	0.8
279.17731	1.0
282.05313	2.7
283.10757	88.0
284.11084	3.6
297.18518	3.6
299.05539	5.1
300.06204	6.1
315.08560	27.0
315.13287	5.3
315.19412	11.5
315.28220	0.7
316.08765	1.3
316.15131	0.8
316.19711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.14
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.1
59.57091	0.7
69.07065	6.0
69.77103	1.3
69.77474	1.3
82.99841	1.7
84.04502	2.9
84.08149	8.0
85.02908	1.8
86.09702	32.7
88.10079	0.8
97.06510	4.7
98.23449	0.9
100.02493	1.3
101.00870	19.8
115.02401	2.1
118.03509	7.4
119.01913	53.3
120.02034	2.6
130.03506	1.8
131.01881	1.7
133.03525	0.9
137.02945	9.7
142.03491	7.4
143.03629	0.9
144.05037	0.9
145.03484	1.1
155.01888	0.9
157.03497	2.8
160.00041	0.9
160.04544	13.4
168.08737	3.0
172.04594	1.7
175.04478	1.4
177.00964	1.4
178.00972	4.0
179.01051	0.9
183.04958	1.8
184.04556	10.8
185.02939	3.0
185.04547	1.6
186.06192	1.6
186.08093	1.9
186.09740	21.8
187.09956	2.0
192.98767	0.8
197.06601	1.9
201.46646	0.8
202.05603	13.6
203.00636	1.0
204.02637	2.7
204.10797	6.7
205.02226	1.3
210.06117	3.6
211.04430	1.0
214.07436	3.0
214.09236	42.5
215.07658	3.1
215.09514	1.3
219.02055	3.1
220.02097	11.7
221.01729	3.7
226.05513	0.9
228.07114	1.9
232.10306	100.0
233.08554	1.0
233.10509	5.4
236.04156	0.9
237.10831	1.3
245.03381	0.9
255.11905	4.9
271.01035	0.8
273.12903	6.8
285.08163	1.4
297.08420	0.8
309.83725	0.9
315.09369	5.6
316.09265	1.5
333.10559	10.0
334.10220	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01876	5.0
55.05508	3.7
56.05027	4.8
62.18233	1.7
66.64633	1.5
67.05505	15.0
69.03411	3.1
79.05499	28.4
81.03427	9.6
81.07051	35.0
81.07510	3.0
83.05004	1.5
83.06102	37.6
84.04503	84.9
85.02901	5.2
91.05479	2.7
93.07052	5.1
95.04961	3.7
95.08604	56.5
97.02905	2.3
97.10183	2.8
98.97569	2.7
101.07131	12.3
102.05543	7.2
105.07025	51.9
107.04965	2.2
107.08599	5.2
109.02869	9.4
111.04430	1.4
111.05518	1.3
117.07016	2.7
117.23044	1.8
119.07318	2.4
123.08061	100.0
124.08408	1.6
125.09583	2.7
128.06151	2.2
129.06586	28.4
130.05000	49.4
133.06508	10.3
140.10744	3.8
141.09132	2.8
147.07632	27.0
150.09148	6.6
151.03990	1.7
151.07538	71.6
152.07928	1.6
153.06993	2.7
153.10263	2.6
155.08545	7.8
157.06497	6.8
159.08066	1.8
165.06992	3.1
168.00543	1.7
168.10199	52.1
169.01323	8.7
169.06502	2.5
169.08644	3.3
171.08060	2.4
172.08694	2.1
173.07138	5.8
173.09557	2.1
183.08070	9.1
186.11267	26.9
201.09109	7.2
202.09343	1.5
206.11670	1.5
211.07443	7.1
229.08615	7.9
234.11310	4.2
251.13875	2.3
252.12286	3.9
254.05812	3.6
255.06317	1.7
256.10898	1.9
269.14990	2.3
271.06033	7.4
279.13376	41.2
280.11676	4.1
282.05209	1.7
297.14386	9.0
297.17651	1.4
298.12015	5.1
299.05460	7.7
300.06201	8.6
315.08398	42.8
315.13889	11.0
317.06714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
57.03430	3.2
57.07076	6.2
57.75282	0.9
58.03752	1.2
58.07414	0.9
62.06088	1.4
67.05487	3.2
68.36259	0.9
69.07073	1.1
69.13345	0.8
71.08627	3.7
72.08147	1.0
72.08962	1.8
79.05484	1.4
81.03418	6.5
81.07054	1.7
83.08614	1.0
85.10192	1.7
90.51446	0.9
91.05480	1.2
93.07049	1.9
95.04966	10.5
95.08596	2.7
98.97576	1.2
105.07033	2.1
107.04941	1.3
107.08594	1.6
109.06523	1.6
109.10172	1.8
119.04916	0.9
119.08575	2.6
121.06535	1.9
121.10155	2.4
123.04384	2.3
123.08084	3.8
131.08562	1.7
133.10135	2.6
135.11642	0.9
145.06471	1.6
145.10139	1.6
147.08055	1.5
159.11681	2.1
161.09634	1.3
163.11147	2.0
169.01335	3.3
174.18617	1.6
175.14828	1.9
191.14378	1.1
193.15863	2.9
202.21617	1.0
203.14330	1.1
241.15881	1.0
258.27817	1.5
269.18900	1.2
271.05975	1.4
279.17331	1.2
282.05362	1.2
297.18457	3.1
299.05237	1.9
300.06302	3.6
314.28043	1.7
314.34140	18.4
315.08557	11.8
315.19315	100.0
315.28079	2.9
315.34485	10.9
316.19553	4.8
316.31934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.58323	1.9
55.01867	3.4
55.05500	8.4
57.03437	17.9
59.04990	3.0
65.03938	3.6
67.05502	29.0
69.03413	6.9
69.07070	10.7
69.30998	10.3
70.95650	2.2
71.04997	4.6
79.05489	18.4
81.03413	68.4
81.07056	20.3
83.04967	5.9
83.08627	4.2
85.06546	3.4
91.05486	16.1
93.07048	20.5
95.04964	90.3
95.08607	32.1
96.05302	4.0
97.06551	5.5
99.08092	7.1
105.07030	26.9
107.04981	12.9
107.08009	2.6
107.08601	26.2
109.06522	34.9
109.10175	12.2
111.08043	4.4
115.05427	3.8
116.63984	1.9
117.07030	6.0
119.04920	2.3
119.08584	28.0
121.06497	30.7
121.10135	27.1
123.04414	11.0
123.08060	49.8
123.11683	5.8
125.09667	3.0
129.06999	7.2
131.04910	5.3
131.08549	9.2
133.06500	8.8
133.10121	14.2
135.08073	21.4
135.11691	12.3
137.09589	10.4
142.07770	3.9
143.08530	13.1
145.06477	54.6
145.10114	15.0
147.08084	19.0
147.11702	9.3
149.06021	3.8
149.09616	10.0
151.07521	6.3
151.11176	3.8
155.08542	7.5
156.09340	4.6
157.10139	16.5
159.08034	9.1
159.11671	17.3
161.05965	5.3
161.09625	14.4
161.13266	5.4
163.11189	24.8
165.12802	3.0
167.08594	4.1
169.06456	2.3
169.10136	7.9
171.08038	6.2
171.11678	15.0
173.09633	9.9
173.13254	11.4
175.07552	6.2
175.11215	12.1
175.14822	12.1
177.09105	3.4
177.12697	13.6
181.10130	5.8
182.07344	2.4
182.10971	4.9
183.08058	2.7
183.11726	5.9
185.09644	10.7
185.13234	7.3
187.11162	9.3
187.14792	6.5
189.09116	4.8
189.12767	6.0
191.14249	5.1
193.08485	2.5
193.10138	2.8
193.15875	19.5
195.07974	4.1
195.11774	5.0
197.09612	3.5
197.13196	14.2
199.11246	10.6
199.14810	4.3
201.09128	2.9
201.12749	9.1
203.10629	4.1
203.14291	11.2
207.08096	2.8
207.11838	3.3
207.13824	6.3
209.13231	4.5
211.11169	10.4
211.14738	4.9
213.12764	7.9
213.16422	2.9
215.14363	9.2
217.15916	3.7
221.09738	2.9
221.13361	2.9
221.15346	28.4
223.11263	2.6
225.12764	9.1
225.16286	3.0
227.10687	4.1
227.14189	5.1
229.15883	4.7
237.12823	3.1
239.14355	8.8
241.12131	4.0
241.15820	17.7
243.13763	3.7
250.13393	3.0
251.17876	5.1
253.15828	4.3
255.13847	3.1
255.17390	6.9
259.16949	23.4
269.16376	2.6
269.18924	15.7
273.18521	2.7
279.17438	18.0
282.16104	3.4
287.19897	3.2
297.18481	59.6
298.18817	3.3
315.19528	100.0
316.19955	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Ptychonolide
Peak:m/z	Relative Intensity
53.03943	1.3
54.53791	0.3
55.01865	0.5
55.05510	2.4
57.03428	2.4
62.06050	0.3
65.03941	2.6
67.05500	21.1
69.03429	1.8
69.07059	1.4
69.63267	1.7
71.04987	3.8
71.99953	0.4
79.05488	2.8
81.03413	53.5
81.07058	3.9
82.03725	0.5
83.08632	0.6
91.05473	3.1
93.07040	6.4
95.04963	100.0
95.08603	6.0
96.05309	1.5
97.10194	0.4
98.23407	0.5
105.07024	5.7
107.04961	1.1
107.08590	4.1
109.06483	2.1
109.10159	1.7
111.08105	0.4
117.06998	1.4
119.08571	7.4
121.06505	4.0
121.10137	4.3
123.03525	0.5
123.04421	10.4
123.08058	10.5
123.11679	1.5
129.06995	0.9
131.04988	0.7
131.08582	2.7
133.06499	1.1
133.10120	4.7
135.08043	2.5
135.11688	1.1
137.09644	0.9
141.05431	2.2
142.07768	0.4
143.08582	2.0
145.06467	3.1
145.10121	2.2
147.08034	1.3
147.11668	3.8
149.09648	1.8
149.13257	0.9
151.11189	1.3
155.08560	1.3
156.09343	0.6
157.10075	2.2
159.08075	1.4
159.11720	2.5
161.09586	2.2
161.13246	0.6
163.11183	1.5
165.12735	0.6
167.08577	0.7
168.09280	0.4
169.10193	1.2
171.08043	1.3
171.11720	1.5
173.09576	1.3
173.13271	1.4
175.07607	0.4
175.11189	1.2
175.14796	7.4
175.16174	0.6
177.12743	1.5
179.08636	0.4
180.09547	0.4
181.10133	0.9
183.08037	0.6
183.11705	0.7
183.58310	0.4
185.09587	1.2
185.13231	1.4
187.11203	1.4
187.14793	0.9
189.09021	0.4
189.12753	0.7
190.13667	0.6
191.14302	15.2
192.14801	0.5
193.10336	0.8
193.12250	2.8
193.15869	28.7
194.16205	1.1
195.11655	0.6
197.09645	0.5
197.13313	1.2
198.14040	0.4
199.11166	0.8
199.14725	0.7
201.12761	0.4
203.14313	1.6
207.11632	0.4
209.13274	0.7
211.11101	1.1
211.14827	0.4
213.12721	1.2
213.16435	0.4
215.14276	2.6
221.13454	0.4
221.15358	2.9
222.10518	0.4
223.11171	0.9
224.11765	0.5
225.12799	1.3
226.13591	0.4
227.14272	0.7
229.12210	0.4
229.15915	1.0
233.15323	0.5
239.14276	1.0
241.15842	2.5
243.13866	1.0
257.15353	0.6
259.16953	1.6
267.17511	3.8
269.19000	1.5
279.17453	1.2
285.18405	1.8
287.20047	1.0
297.18439	5.3
315.19528	42.6
316.14117	0.4
316.19962	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	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.52098	2.1
53.03931	5.1
55.01865	4.2
55.05509	17.3
57.03429	5.1
65.03935	3.9
65.90984	2.1
67.05502	44.5
69.03419	7.8
69.07065	13.7
71.04983	3.1
72.08130	1.9
77.03944	2.1
79.05486	35.4
81.03415	21.6
81.07050	20.6
82.36274	2.1
83.04964	6.4
83.08610	6.5
85.53667	2.4
91.05477	40.1
91.06045	2.5
93.06446	3.6
93.07038	64.8
94.07359	2.9
95.04963	40.9
95.08601	85.5
96.08946	2.2
97.02876	7.6
97.06518	8.2
98.22614	4.9
99.08089	1.9
101.40880	2.0
101.49128	2.9
103.05443	4.9
105.04550	2.8
105.07021	63.8
107.04941	7.3
107.08582	89.5
109.06502	16.6
109.10143	53.9
111.04415	7.8
111.08086	11.2
115.05436	3.0
116.06192	2.5
117.07021	11.8
119.06087	2.8
119.08574	62.7
121.06506	16.8
121.10133	94.9
122.10484	2.5
123.04427	4.6
123.08060	31.0
123.11653	5.4
125.05985	2.5
128.06198	4.4
129.06963	7.3
130.07811	4.1
131.08569	19.0
133.06483	10.3
133.07462	3.1
133.10109	27.2
135.08052	55.5
135.11673	9.2
136.06166	5.2
137.06595	2.2
137.09604	8.3
142.07777	7.7
143.08549	18.0
144.09355	2.9
145.06473	10.5
145.10120	27.2
147.08034	20.7
147.11659	11.3
149.05960	3.8
149.09595	20.7
151.07494	4.8
153.06969	3.0
153.09012	2.2
155.08527	9.5
156.09305	6.5
157.10106	24.4
158.07240	3.4
159.08023	7.6
159.11702	21.2
161.05998	15.8
161.09619	32.7
161.13232	6.6
163.07561	2.9
163.11148	12.1
165.07050	3.2
165.09134	4.7
167.08592	5.0
169.01358	4.9
169.10121	10.1
170.10857	2.9
171.08054	5.5
171.11682	17.6
172.08807	5.1
173.09607	22.1
173.13228	11.9
175.07561	3.6
175.11058	10.3
175.14856	2.8
176.11972	18.7
177.09109	7.6
177.12691	8.8
179.07008	4.9
179.08516	3.2
179.10670	5.1
181.10075	4.1
182.10818	2.7
183.08041	3.5
183.11740	5.8
185.09621	14.1
185.13257	9.3
186.10243	2.5
187.07568	3.1
187.11172	22.7
187.14827	9.4
189.09096	7.2
189.12753	8.6
189.16435	3.9
191.10684	8.7
193.08591	50.1
193.10118	2.5
193.12270	2.5
193.15863	4.9
195.11745	7.2
197.08076	6.4
197.09734	5.1
197.13242	5.6
199.11107	13.4
199.14772	10.0
200.12035	2.1
201.09032	14.8
201.12753	4.8
203.10690	12.6
203.12398	2.8
203.14372	4.4
205.12274	8.0
207.11658	2.6
209.13333	4.8
211.09612	57.8
211.14769	5.6
212.09987	4.2
213.09116	6.9
213.12790	5.7
215.10696	17.1
215.14328	9.5
217.12326	4.4
217.15839	3.2
219.10155	19.3
219.13779	2.6
221.15375	4.6
225.12865	2.8
227.10738	9.4
227.14238	3.9
231.10135	10.5
233.11679	4.0
237.16383	8.3
239.14284	4.9
241.12247	8.8
241.15797	5.5
241.19464	4.0
245.11809	11.6
251.17876	7.3
255.11226	3.8
255.13860	3.7
255.17361	9.0
259.13303	4.3
259.16983	3.2
269.18979	11.8
271.06097	4.0
279.17371	8.3
287.20065	2.9
297.12625	2.3
297.18436	44.9
298.18884	3.3
299.05484	3.8
300.06219	7.2
315.08585	21.7
315.19543	100.0
316.19818	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	315.1954
Annotation	17-Ethynyl-10-hydroxy-19-nortestosterone
Peak:m/z	Relative Intensity
53.03941	3.3
53.90751	1.6
55.01859	3.8
55.05500	4.5
57.03432	20.4
57.34998	1.8
59.04990	1.8
65.03922	3.4
67.05504	28.3
69.03438	2.9
69.07056	7.6
70.48012	4.4
71.04992	2.7
79.05487	13.6
80.89543	1.8
81.03413	55.0
81.07058	12.1
83.04980	3.8
85.06519	2.8
88.37242	2.0
90.54734	2.0
91.05472	12.2
93.07051	9.9
95.04961	81.1
95.08604	14.4
97.06522	5.2
98.97565	2.7
99.08079	3.6
103.05444	2.4
105.07026	17.7
107.04955	9.6
107.08601	20.3
109.06519	20.4
109.10145	8.9
111.08042	2.4
115.05453	2.3
117.07039	2.8
119.04899	2.4
119.06098	1.9
119.08595	19.1
121.06484	16.5
121.10148	27.5
123.04417	12.8
123.08052	30.8
123.11716	6.5
129.06996	6.2
129.08838	2.1
131.08537	9.7
133.06490	7.6
133.10110	13.4
135.08057	12.0
135.11708	11.3
136.01666	2.3
137.09619	6.4
141.05476	2.4
142.07770	3.9
143.08560	8.9
144.09367	1.9
145.06450	11.3
145.10127	12.5
147.08034	14.2
147.11700	6.0
149.09619	7.1
151.07532	3.1
151.11156	3.0
153.01846	2.1
155.08539	2.5
156.09198	2.4
157.10143	9.1
159.08107	5.5
159.11697	12.6
161.06001	5.7
161.09612	8.0
161.13277	4.1
163.11153	18.5
165.12711	2.7
169.01318	4.4
169.10106	3.3
170.10791	2.4
171.08057	3.9
171.11620	10.2
172.08769	2.3
173.09618	8.9
173.13228	5.7
175.07545	4.0
175.11113	10.0
175.14828	9.1
177.09099	3.9
177.12730	3.9
179.06944	2.5
179.08624	2.2
179.10623	3.1
181.10091	4.0
182.10858	2.8
183.08084	3.4
183.11725	6.1
185.09605	6.6
185.13278	5.2
186.10320	2.2
187.11157	8.0
187.14879	2.5
188.11931	2.2
189.09171	5.4
189.12701	7.7
191.10719	2.8
191.14218	3.2
193.15855	19.2
195.11752	4.5
197.13272	3.9
199.11177	6.2
199.14819	3.0
201.12697	5.9
203.10661	3.9
203.14333	6.4
207.13747	3.6
209.09572	3.0
209.13261	2.8
211.11159	4.8
213.12819	7.1
215.10674	5.1
215.14290	4.8
217.12172	2.6
219.13646	4.9
221.15321	9.8
223.14830	2.5
225.12694	3.1
227.14226	3.4
229.15952	4.2
233.11731	2.7
239.14313	3.8
241.12148	4.4
241.15891	7.8
243.13818	3.8
254.05960	2.5
255.17392	3.1
259.13199	3.9
259.16913	7.1
269.18961	6.4
271.05933	4.6
279.17416	11.2
282.16382	2.8
287.20023	4.2
297.18494	34.2
298.18872	3.3
299.05481	6.8
300.06244	8.1
315.08582	32.4
315.19522	100.0
316.09253	3.3
316.19788	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	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03942	2.7
54.98646	2.0
55.01865	5.3
55.05503	8.0
57.03439	15.4
59.04996	2.7
65.03936	2.6
67.05500	27.4
69.03416	3.7
69.07059	7.4
69.64424	4.9
69.64806	4.4
71.04982	2.5
79.05495	13.6
81.03416	60.4
81.07050	18.3
82.88448	1.8
83.04968	5.8
83.08583	2.8
91.05478	12.2
93.07025	15.4
95.04964	74.4
95.08603	23.6
97.06527	3.4
98.22704	2.3
99.08080	5.3
100.63576	2.0
103.05495	3.8
105.07021	34.1
107.04961	11.7
107.08588	19.0
109.06513	30.7
109.10151	5.3
111.08076	4.9
113.90427	1.8
117.07011	7.5
118.72723	1.9
119.08563	20.3
121.06499	19.5
121.10145	27.6
123.04433	7.8
123.08065	66.1
123.11687	8.2
129.07008	6.2
129.40770	1.9
131.08571	10.6
133.06485	24.1
133.07404	2.9
133.10147	12.7
135.08044	16.1
135.11670	9.4
137.05989	2.3
137.09619	6.0
141.06955	2.1
142.07745	3.2
143.08530	6.4
144.09328	3.3
145.06485	19.9
145.10126	11.4
147.08028	10.2
147.11691	8.9
149.09612	11.1
149.13330	2.7
151.07559	5.6
151.11087	4.8
155.08560	6.6
156.09288	3.1
157.10147	11.5
159.08055	7.3
159.11703	10.9
161.05971	83.0
161.09613	8.9
161.13246	3.2
162.06209	3.0
163.11200	22.7
165.07014	3.3
165.09045	2.0
165.12721	2.5
167.08574	2.9
169.10123	5.4
171.08069	3.5
171.10402	2.3
171.11646	11.5
173.09641	6.1
173.13292	7.9
175.07518	3.1
175.11191	8.8
175.14830	8.2
177.09117	4.2
177.12723	7.3
179.08624	2.6
179.10667	3.1
181.10107	4.4
182.10939	4.8
183.08180	2.3
183.11684	7.4
185.09630	6.6
185.13255	5.8
186.10292	4.1
187.11211	7.0
189.09184	3.0
189.12737	3.7
191.14282	4.7
193.12227	7.8
193.15863	19.3
194.11046	2.2
195.11719	5.4
197.09621	2.9
197.13229	9.4
199.11206	7.7
201.12761	6.6
203.10620	2.7
203.14291	6.0
207.08115	2.4
207.13824	5.2
209.09593	3.3
211.11208	5.7
211.14787	3.1
213.12749	5.6
213.16272	2.5
215.14319	6.6
215.27663	2.1
217.12215	2.5
217.15765	2.5
219.13947	2.5
221.15337	28.5
223.11177	3.9
225.12781	4.4
226.13474	2.0
229.12210	3.5
233.15207	3.2
239.14224	5.2
241.15851	12.3
242.16040	2.2
243.13770	3.4
249.12718	2.2
251.18030	4.0
255.17441	4.0
257.15344	3.5
259.16980	8.9
269.19019	12.1
273.18433	3.4
279.17407	15.0
287.19977	5.3
297.18478	45.2
315.19537	100.0
316.20020	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	315.1954
Annotation	17-Ethynyl-10-hydroxy-19-nortestosterone
Peak:m/z	Relative Intensity
53.03937	3.2
55.01854	3.7
55.05498	8.6
57.03209	2.3
57.03433	19.8
59.04981	2.3
65.03931	4.9
67.05499	36.8
69.03409	4.1
69.07062	7.9
69.37831	8.4
71.04985	3.5
79.05482	11.0
81.03413	80.2
81.03902	4.2
81.07051	16.3
83.04990	4.2
83.08633	2.6
91.05462	15.9
91.19351	1.9
93.07036	20.9
95.04961	78.0
95.08598	37.9
97.06545	3.4
99.08073	6.9
105.07014	24.9
107.04948	8.2
107.08572	20.1
109.06512	32.5
109.10153	9.5
111.08096	5.2
117.07026	5.0
119.08575	26.5
121.06483	24.7
121.10128	23.6
123.04420	13.2
123.08061	89.1
123.11646	4.6
125.09650	3.1
129.06979	6.4
131.08534	10.5
133.06459	6.9
133.10114	13.6
135.08041	18.4
135.11696	13.7
137.09590	10.1
142.07744	5.2
143.08553	8.6
144.09148	2.0
145.06467	21.5
145.10110	17.2
147.08034	13.2
147.11734	3.2
149.05963	4.4
149.09619	7.9
151.07495	3.7
151.11124	3.5
155.08571	7.8
156.09389	5.4
157.06488	2.6
157.10135	15.2
159.08040	8.7
159.11723	11.2
161.09595	11.3
161.13187	3.5
163.11157	28.7
165.06990	3.3
165.12714	4.8
167.08488	5.4
169.10152	8.1
170.10909	2.8
171.08031	4.0
171.11708	14.3
173.09590	8.5
173.13249	7.8
175.07465	2.5
175.11165	8.4
175.14812	10.0
177.12726	11.5
179.06990	3.2
181.10094	5.4
182.10941	6.2
183.08034	3.7
183.11659	4.3
185.09602	7.4
185.13255	8.3
186.10378	2.8
187.11182	9.4
187.14806	4.8
189.12701	7.7
191.14209	3.5
193.10254	3.4
193.12210	6.1
193.15933	16.5
194.16257	2.3
195.11678	5.3
197.09431	3.5
197.13223	21.5
199.11122	10.6
199.14810	6.2
201.12737	7.7
203.14235	10.1
205.12317	2.8
207.07907	3.1
207.11835	4.0
207.13777	8.8
209.13249	4.2
211.11185	8.1
211.14854	4.9
213.12784	5.7
215.14276	10.8
221.15332	51.2
222.15697	3.6
223.11195	4.1
223.14720	2.7
225.12752	8.9
227.10573	5.1
227.14259	4.3
228.11359	3.4
229.12224	5.7
233.15424	4.3
237.12727	3.7
239.14311	6.7
241.12277	3.0
241.15829	20.1
243.13786	3.7
250.13727	2.7
251.18077	3.3
253.15944	2.1
254.13933	2.0
255.17484	5.3
257.15256	3.3
259.16855	6.5
269.18991	11.4
271.16977	3.7
273.18549	3.5
279.17380	21.0
287.19952	3.0
297.18466	58.0
298.18900	3.9
315.19507	100.0
316.19928	9.4
333.41278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
51.57322	1.0
53.03938	4.9
55.01857	4.0
55.05506	6.8
57.03434	17.9
57.07057	2.6
57.58921	1.1
59.04991	2.1
64.36405	1.2
65.03923	2.8
67.05502	29.5
69.03416	4.5
69.07057	6.9
69.42367	2.7
69.42762	2.8
71.04984	3.6
77.03944	1.5
79.05489	9.3
81.03415	86.2
81.07053	16.3
82.03748	1.7
83.04974	4.6
83.08623	3.3
85.06511	2.0
87.04444	2.8
87.51748	1.2
91.05482	10.5
93.07042	18.3
95.04964	89.7
95.08024	2.0
95.08603	33.2
96.05300	2.0
97.06512	2.4
98.23418	1.5
98.97588	2.1
99.08063	4.4
103.05505	1.4
104.50101	1.2
105.07027	17.3
107.04948	7.3
107.08593	16.2
107.95119	1.2
109.06516	28.1
109.10147	5.7
109.10814	1.2
111.04456	1.8
111.08066	4.5
112.61399	1.2
115.05466	1.6
115.39176	1.2
116.98598	1.4
117.07005	5.7
119.08572	25.5
121.06497	21.1
121.10133	27.4
123.04443	15.2
123.08064	91.3
123.11693	5.4
124.08389	2.1
125.09611	1.9
128.06227	2.7
129.06982	4.1
131.04933	4.5
131.08566	9.6
133.06468	6.8
133.10123	13.8
135.08061	14.2
135.11670	7.1
137.09584	8.3
139.11157	1.9
141.05402	2.2
141.06958	2.3
142.07779	4.0
143.08582	7.9
144.09317	2.8
145.06485	23.1
145.10100	10.6
147.08051	10.9
147.11716	6.4
149.05969	2.7
149.09625	8.2
151.07526	4.4
151.11182	3.1
155.08499	6.0
156.09315	6.1
157.06439	2.3
157.10106	10.2
158.10890	2.0
159.08028	8.7
159.11684	12.2
161.09596	8.3
161.13264	4.0
163.07515	1.2
163.11176	21.9
165.07027	2.2
165.12766	1.9
166.07819	1.3
167.08536	4.4
169.01260	1.5
169.10107	7.2
170.10883	1.7
171.08031	4.6
171.11670	14.7
173.09653	8.4
173.13289	11.9
175.07523	2.5
175.11203	6.2
175.14804	11.3
177.09157	1.6
177.12691	9.1
178.07707	1.6
179.07040	2.4
179.08508	2.2
179.10617	3.0
180.09305	1.6
181.10114	5.3
182.07338	1.4
182.10884	5.4
183.07945	3.2
183.11676	6.1
184.08795	2.0
185.09608	8.8
185.13257	7.3
186.10391	2.7
187.11241	8.4
187.14809	4.2
189.09093	2.9
189.12715	6.7
191.10664	4.8
191.14310	3.8
193.10229	1.7
193.12231	4.5
193.15874	20.6
195.11722	4.9
196.08754	2.2
197.09583	3.5
197.13225	18.7
199.11177	6.9
199.14771	4.8
201.09026	1.5
201.12694	8.3
203.10605	2.0
203.14275	10.1
205.12148	1.3
207.07973	2.1
207.11765	2.6
207.13820	4.3
208.08856	2.1
209.09624	2.6
209.13258	3.0
211.11172	7.4
211.14854	2.8
213.12720	5.4
213.16388	2.7
215.10733	3.7
215.14268	9.5
217.12201	2.6
217.15768	2.3
219.13707	2.1
221.09575	1.8
221.13309	3.1
221.15344	42.1
222.15810	1.5
223.11166	2.3
223.14806	4.1
225.12778	7.2
227.10567	4.3
227.14323	4.1
228.11383	3.2
229.12228	4.1
233.15300	2.8
235.11163	3.5
236.11919	1.7
237.12752	3.3
239.14314	5.3
240.14911	1.7
241.12180	2.7
241.15894	14.4
243.13736	4.1
246.13945	1.3
249.12468	1.6
251.17877	3.2
253.15808	3.3
255.09915	1.3
255.13882	2.1
255.17332	4.9
257.15326	2.1
259.16910	7.8
261.16376	1.9
264.15118	1.7
269.19003	7.8
271.06030	1.9
271.17014	2.2
273.18460	4.1
279.17410	18.1
280.17844	1.4
283.26907	1.3
287.16537	1.2
287.19891	1.9
297.18478	51.5
298.18753	2.9
300.06000	2.0
315.08548	9.6
315.19525	100.0
316.19919	5.4
316.28525	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03955	2.1
55.01863	3.5
55.05508	6.4
57.03439	9.0
62.09757	1.5
65.03941	1.7
67.05504	25.5
69.07061	4.4
69.57629	3.1
69.57990	5.0
79.05489	4.2
81.03416	59.8
81.07056	10.5
83.04989	3.9
91.05469	7.0
93.07039	8.8
95.04964	100.0
95.08601	12.8
100.83331	1.9
105.07024	12.3
107.04955	6.3
107.08577	12.6
109.06512	12.8
109.10152	11.6
115.05431	1.8
117.07014	2.8
119.08578	15.3
120.98158	1.6
121.06498	6.0
121.10131	21.9
123.04443	14.3
123.08064	7.4
123.11705	12.2
129.06960	3.1
131.04919	1.7
131.08603	3.9
133.06480	3.8
133.10120	13.0
135.08047	5.7
135.11693	10.8
137.05923	2.1
137.09615	5.0
141.05479	3.0
142.07799	1.9
143.08546	3.1
144.09441	2.6
145.06494	10.9
145.10184	8.9
147.08076	10.7
147.11702	3.7
149.05931	2.8
149.09618	3.3
149.13232	2.6
151.07529	8.0
151.11180	2.0
155.08548	2.6
157.10112	6.9
159.08002	2.9
159.11665	7.8
161.09590	3.4
163.07494	1.7
163.11179	18.5
165.09164	3.6
165.12794	4.2
169.10054	2.0
171.11674	5.5
173.09592	4.0
173.13266	4.3
175.11134	2.5
175.14854	13.1
177.09045	2.9
177.12755	5.2
183.08231	2.1
183.11674	2.4
185.09555	3.8
185.13155	2.3
187.11160	3.7
189.12770	3.3
191.14377	9.0
193.08618	2.6
193.15886	45.2
195.11656	3.0
197.13281	3.8
199.11172	3.8
201.12804	3.6
211.14726	2.3
213.12738	3.7
213.16415	1.8
215.14311	2.8
225.12831	3.9
227.14342	2.1
227.17941	2.8
229.15730	4.1
239.14294	3.7
241.15862	5.3
243.13860	3.6
251.18126	2.0
255.17462	3.7
259.16959	5.4
269.19046	9.0
273.18594	2.9
279.17404	4.3
282.16281	2.8
287.19983	4.3
297.18497	23.4
315.19559	42.6
316.19955	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	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03938	2.0
55.05507	2.9
57.03230	0.9
57.03436	11.3
64.01665	1.2
65.03923	3.6
67.05499	21.4
69.03413	2.3
69.07059	3.9
70.15951	2.1
70.52005	1.1
71.05010	1.7
79.05470	2.6
81.03410	62.7
81.07042	7.7
83.04977	2.8
85.06512	1.2
91.05463	4.2
93.07019	7.7
95.04960	100.0
95.08601	5.9
96.05300	1.5
98.22777	1.2
99.08089	2.4
105.07018	7.6
107.04946	2.9
107.08588	11.5
109.06494	8.1
109.10166	5.4
117.07003	2.7
119.08571	12.6
120.40357	1.2
121.06478	3.8
121.10130	24.6
123.04413	18.9
123.08080	7.6
123.11678	8.4
129.06987	2.3
131.04918	1.7
131.08574	3.5
133.06465	2.0
133.10106	11.0
135.08040	4.7
135.11702	8.7
137.05965	1.2
137.09599	4.8
141.05449	3.1
142.07756	2.2
143.08545	5.1
145.06490	11.2
145.10097	7.5
147.08047	8.7
147.11685	4.3
149.05968	1.9
149.09618	3.4
151.07549	2.0
155.08548	2.0
157.10127	5.1
159.08012	2.0
159.11676	5.6
161.09604	3.9
161.13268	2.1
163.11165	14.4
165.05495	1.4
165.09155	1.6
165.12714	1.3
169.10179	1.5
171.08078	2.7
171.11682	2.6
173.09689	2.2
173.13274	7.9
175.11197	1.6
175.14803	12.9
177.12756	4.2
179.07031	2.9
181.10136	1.8
183.08099	1.8
183.11684	1.5
185.09605	4.5
185.13164	1.4
187.11169	2.2
187.14746	1.7
189.12738	2.7
191.14240	7.6
193.15855	34.9
197.13266	2.3
199.11137	2.6
201.12654	6.5
203.14261	1.7
207.11765	1.5
213.12712	2.6
215.14268	3.2
225.12701	2.3
228.14986	2.4
229.15843	3.8
239.14310	2.3
241.15900	6.0
243.13806	3.5
255.17361	3.1
259.16885	5.7
269.18945	4.4
272.06683	1.0
273.18570	5.9
279.17450	2.9
282.16168	2.0
287.20001	2.0
297.18414	17.3
315.19519	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	316.1368
Annotation	Neosaxitoxin
Peak:m/z	Relative Intensity
69.35770	1.6
70.06590	1.8
72.08136	0.7
84.04501	0.3
84.08145	1.4
86.09709	1.2
97.02888	1.2
98.97595	0.6
101.00896	0.3
103.68122	0.3
108.08097	0.3
112.07643	0.5
116.98592	0.5
117.03378	0.3
118.03506	0.6
119.01942	0.7
124.03934	0.6
129.10228	0.5
131.01901	0.4
135.04370	0.3
136.04619	0.4
136.06194	4.8
136.07578	5.0
145.02795	0.7
147.54762	0.3
154.05003	0.8
154.08533	3.5
157.13286	0.4
160.08109	0.5
163.03868	1.9
172.08180	2.4
175.97768	0.4
177.00949	1.9
177.05484	0.7
179.00688	0.5
188.07744	1.0
190.09227	3.8
195.04990	0.4
203.00851	0.5
203.02481	2.2
214.09253	2.0
219.01982	1.7
220.02156	0.9
220.04015	0.5
221.01694	1.2
221.03288	0.5
226.09155	1.6
228.10829	0.9
232.10237	0.4
239.04024	0.4
243.02078	0.4
245.03566	0.6
245.98152	0.4
250.09189	0.4
250.97136	0.4
256.10349	0.5
257.05090	1.1
261.03049	3.1
262.03152	0.6
272.06531	0.6
274.97153	0.8
291.98700	0.3
292.07776	0.4
292.98111	0.4
293.05331	0.5
300.05930	0.6
301.06546	0.5
311.05933	0.6
316.13654	100.0
317.02066	0.8
317.14215	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	316.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82760	0.4
55.01854	0.5
55.05486	1.6
56.05030	2.5
56.53383	0.4
59.35725	0.5
61.27926	0.4
62.01645	0.4
63.17521	0.5
63.43440	0.4
66.80145	0.5
67.05501	7.3
69.03423	4.2
69.07029	1.9
70.06254	0.6
70.06587	7.7
71.04962	1.0
72.08111	1.4
73.08469	0.8
79.05480	2.4
79.47723	0.5
81.07050	12.4
83.04947	0.5
83.08585	1.1
84.04453	1.2
84.08104	0.6
85.06497	0.6
86.06059	20.0
86.09704	4.4
87.04459	20.4
91.05466	5.2
93.07017	1.8
95.04976	0.7
95.08570	1.6
96.08088	1.8
97.06515	0.7
97.07623	1.0
98.06046	36.1
99.06334	0.7
105.07013	2.5
107.08537	1.9
109.10172	2.3
112.07559	2.0
114.10243	1.1
123.11696	3.2
124.07587	12.5
125.07961	0.6
131.08534	0.8
132.11307	0.4
133.10120	7.2
134.09703	0.5
138.09142	0.5
151.11163	12.9
157.13362	2.6
163.76663	0.5
166.29028	0.5
168.13817	9.8
182.05255	0.5
183.05441	1.1
184.05698	1.3
184.98328	0.5
185.05972	1.2
185.12788	1.1
186.14848	2.4
208.16933	1.0
215.71471	0.5
218.15302	0.6
236.16426	18.3
237.16808	0.5
254.17513	1.3
259.11292	0.6
272.18533	100.0
273.18808	5.0
298.20160	0.7
316.08871	1.7
316.16528	2.7
316.21146	22.4
317.21417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
54.70178	0.5
55.01862	0.6
55.05510	5.3
55.43236	0.6
56.05033	3.8
57.03415	0.5
57.07075	3.3
60.04522	100.0
65.03928	0.5
67.05496	8.0
68.05888	0.6
69.07070	5.5
69.54821	1.8
70.06585	0.9
71.04963	0.5
71.08620	0.6
72.04523	1.8
74.06075	2.8
77.03884	0.5
79.05502	3.7
80.05016	0.5
81.03426	1.7
81.07056	8.9
82.06594	1.7
83.04980	0.9
83.08619	3.2
86.06064	0.7
90.05566	1.3
91.00976	0.5
91.05482	2.1
93.07044	3.9
94.06572	0.7
95.04978	2.9
95.08601	7.4
96.08134	0.8
97.10168	1.2
105.07056	1.5
107.08578	1.9
109.06513	0.6
109.10152	2.5
111.11716	0.6
112.07623	0.9
115.48298	0.5
119.08595	1.0
121.10134	1.7
123.08010	0.8
123.11668	1.0
133.10098	1.4
135.11684	0.9
147.11723	0.7
193.45923	0.5
203.18556	0.5
233.22681	0.6
245.22472	0.8
250.25250	1.4
262.25281	1.7
268.26407	0.8
280.26285	12.2
281.26517	0.8
298.18906	0.9
298.24252	1.0
298.27396	13.2
299.27911	0.6
316.19968	1.6
316.28433	32.6
317.28763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70178	0.5
55.01862	0.6
55.05510	5.3
55.43236	0.6
56.05033	3.8
57.03415	0.5
57.07075	3.3
60.04522	100.0
65.03928	0.5
67.05496	8.0
68.05888	0.6
69.07070	5.5
69.54821	1.8
70.06585	0.9
71.04963	0.5
71.08620	0.6
72.04523	1.8
74.06075	2.8
77.03884	0.5
79.05502	3.7
80.05016	0.5
81.03426	1.7
81.07056	8.9
82.06594	1.7
83.04980	0.9
83.08619	3.2
86.06064	0.7
90.05566	1.3
91.00976	0.5
91.05482	2.1
93.07044	3.9
94.06572	0.7
95.04978	2.9
95.08601	7.4
96.08134	0.8
97.10168	1.2
105.07056	1.5
107.08578	1.9
109.06513	0.6
109.10152	2.5
111.11716	0.6
112.07623	0.9
115.48298	0.5
119.08595	1.0
121.10134	1.7
123.08010	0.8
123.11668	1.0
133.10098	1.4
135.11684	0.9
147.11723	0.7
193.45923	0.5
203.18556	0.5
233.22681	0.6
245.22472	0.8
250.25250	1.4
262.25281	1.7
268.26407	0.8
280.26285	12.2
281.26517	0.8
298.18906	0.9
298.24252	1.0
298.27396	13.2
299.27911	0.6
316.19968	1.6
316.28433	32.6
317.28763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44910	0.4
55.05490	0.6
56.05025	0.7
56.96580	0.6
57.07073	10.1
58.06574	0.7
60.04523	12.5
62.06083	0.5
67.05508	0.9
69.07054	0.8
70.06589	15.4
70.49712	0.8
71.08618	3.8
81.07042	1.2
85.10178	1.5
86.06055	0.6
86.14854	0.4
88.07626	19.3
89.07975	0.4
93.07053	0.7
95.04960	0.4
98.97577	0.9
102.09171	4.0
106.08660	12.1
116.98615	0.8
194.21626	0.4
219.34645	0.4
235.78975	0.5
254.28387	0.6
272.29477	0.7
280.26303	1.0
280.51761	0.4
288.92151	0.7
298.27399	1.2
298.31030	5.6
316.08838	0.7
316.22482	6.8
316.28671	5.8
316.32059	100.0
317.32410	7.0
335.15204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84610	0.5
55.05503	1.8
56.05037	5.3
56.96561	0.5
57.07076	20.9
58.06621	0.6
60.04526	16.7
61.92516	0.5
62.06098	0.5
67.05491	1.7
68.05012	0.7
69.07055	1.3
70.00637	1.7
70.06589	19.1
71.08266	0.9
71.08630	10.8
74.05704	0.7
74.06080	10.9
79.05486	1.2
81.07053	1.1
83.08623	1.2
85.10182	4.7
86.06058	0.7
88.07627	47.8
89.07893	0.5
90.05541	0.6
90.47676	0.5
91.05466	0.8
93.02162	0.5
95.08601	1.3
98.97554	0.8
102.05518	1.5
102.09167	0.8
106.08665	29.7
109.10067	0.5
116.07079	0.5
116.98693	0.7
120.06564	1.7
169.44492	0.5
270.27927	8.0
271.28152	0.6
280.26236	1.6
292.94754	0.6
298.27328	2.8
298.30984	1.5
299.27701	0.6
316.08948	1.0
316.28412	42.7
316.32062	100.0
317.28702	2.5
317.32385	5.6
338.20145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05256	1.3
55.05509	18.6
55.32436	0.7
56.05029	4.6
56.96552	1.2
66.66942	0.7
67.05501	8.5
69.03426	4.9
69.07056	2.9
71.04984	2.0
71.41582	0.9
71.42183	0.8
79.05494	5.4
81.03438	1.1
81.07045	4.4
83.01331	1.0
83.05008	1.2
83.06103	31.8
83.08620	10.5
84.04501	100.0
85.02898	4.8
85.04831	1.1
91.05474	4.1
93.07046	4.2
95.08603	8.5
97.10165	21.7
98.97585	3.0
101.07130	11.3
102.05540	11.1
107.08581	7.5
109.06537	0.9
109.10160	6.7
111.00790	1.0
111.08100	1.7
112.03970	0.9
116.98532	1.0
117.07027	0.9
119.08557	4.5
124.11209	2.9
125.09624	17.5
129.06598	39.3
130.05000	68.0
134.99594	1.1
135.08058	3.2
137.09601	6.6
142.12306	1.4
147.06516	1.7
147.07642	27.3
153.09064	5.4
155.10657	5.2
170.11760	39.2
171.10078	0.8
171.12001	0.8
188.12810	14.1
189.11208	15.5
236.12732	1.6
253.15459	1.4
254.13826	5.7
263.13821	1.6
271.16580	0.9
272.14917	4.3
281.14944	27.7
282.13239	1.2
293.09131	2.8
299.15927	4.2
300.14148	1.9
317.17047	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03934	2.8
55.05505	21.9
56.05021	4.8
57.03412	4.1
57.07063	10.5
60.04514	4.2
63.79246	1.6
67.05501	26.4
69.03407	2.2
69.07065	13.3
69.74285	6.0
70.06580	2.4
71.08625	3.0
74.06075	11.0
79.05489	11.0
81.03397	2.2
81.07048	33.7
83.04962	10.0
83.08617	20.7
83.09612	1.7
88.07623	32.3
89.07944	5.8
91.05466	19.1
93.07038	44.8
95.04962	11.2
95.08601	34.8
97.06519	3.1
97.10116	2.4
98.22783	3.2
105.07021	22.4
107.08569	20.8
109.06508	7.1
109.10152	21.6
111.04438	26.2
111.08069	10.9
111.75558	1.5
117.07027	6.1
119.08574	43.4
120.06523	2.4
121.06482	15.8
121.10127	9.2
123.04407	1.9
123.08067	3.8
123.11697	27.3
125.06013	3.7
125.09656	3.3
128.06219	1.8
129.06992	6.0
129.65475	1.6
131.08572	11.2
132.09416	2.3
133.06602	1.8
133.10126	35.3
135.08035	5.8
135.11676	2.9
137.09576	5.8
137.13229	1.8
139.03865	15.5
139.07532	60.1
141.06935	1.9
142.07788	7.9
143.08572	13.8
144.09312	2.3
145.10104	34.1
147.08034	3.3
147.11667	8.9
149.09598	14.4
149.13333	1.8
151.11172	6.1
153.09082	11.7
155.07077	2.4
155.08568	6.0
156.09323	5.6
157.10112	21.3
159.07950	2.3
159.11673	12.4
161.09654	3.6
161.13197	8.5
163.11136	2.8
165.09090	6.1
165.12733	7.2
167.10680	2.3
168.09372	3.9
169.10135	3.8
170.10899	8.9
171.11699	10.0
173.09621	5.6
173.13226	7.2
175.11243	2.7
175.14771	2.0
175.77086	1.7
177.09184	1.8
183.11668	13.9
185.13235	14.8
187.07574	1.8
187.11201	5.5
187.14824	5.3
189.09090	2.0
189.12732	2.1
197.13173	2.3
201.09085	2.3
201.12798	4.6
201.16380	27.1
202.16901	2.8
203.10600	4.9
205.12193	3.3
211.11223	3.9
215.10605	2.6
215.14290	1.9
217.12241	20.6
229.12231	58.1
229.15761	24.9
230.12747	2.8
231.13667	3.0
235.13231	2.6
243.13805	9.6
245.15309	4.2
248.53795	1.7
253.19292	2.5
256.26593	1.6
257.15448	2.6
259.16830	1.7
261.14801	2.5
270.28040	3.8
271.20615	10.0
271.28156	8.1
281.19077	2.4
299.20020	47.1
300.20355	4.8
316.28476	3.1
316.31940	2.0
317.21088	100.0
317.28793	39.8
317.32291	5.2
318.21490	8.4
318.30032	10.8
326.41412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05503	11.0
57.03420	3.1
57.07061	7.9
60.04522	5.8
67.05498	27.3
67.42112	2.1
69.03416	5.4
69.07060	10.9
69.26054	15.0
70.06583	9.0
73.87843	2.3
77.03912	3.2
79.05485	14.2
81.03410	6.2
81.07052	45.6
83.04974	10.0
83.08604	5.9
88.07616	18.1
91.05472	27.3
93.06523	3.8
93.07049	39.6
95.04959	10.6
95.08604	50.0
97.02902	11.7
98.22744	3.3
99.08088	2.1
105.07027	45.0
105.34087	2.4
106.08660	3.6
107.08581	46.6
109.06489	10.6
109.10155	63.7
111.03667	5.3
111.04439	100.0
113.06042	3.4
117.07012	14.0
119.08574	55.9
121.06533	3.9
121.10117	20.7
123.04411	2.7
123.08104	7.1
123.11698	14.2
124.25182	2.5
124.66195	2.2
125.06065	2.6
125.09640	3.5
127.84718	2.5
128.06239	2.9
129.06943	2.8
131.08568	19.1
133.10120	89.0
134.10452	4.4
135.08086	5.4
135.11679	9.8
142.07755	3.5
143.08553	8.8
143.84352	2.4
144.09372	3.3
145.10118	57.9
147.08052	4.6
147.11731	17.1
149.09634	5.3
149.13260	8.7
151.07570	4.6
151.11188	3.4
156.09273	3.1
157.10098	8.7
159.08078	4.1
159.11685	33.5
161.09605	7.2
161.13243	8.8
163.14806	8.1
167.10757	4.8
169.08664	2.5
169.10165	3.1
171.11646	6.3
173.09605	5.3
173.13226	18.6
175.14835	6.9
177.12779	2.8
177.16415	16.2
179.10678	6.7
183.11707	5.2
185.13347	5.0
187.11206	3.9
187.14798	28.3
189.12672	2.9
189.16396	24.9
191.10701	12.3
197.13188	3.1
199.11131	3.0
199.14830	6.8
201.12688	3.9
201.16383	36.5
201.74974	3.0
203.10559	2.9
204.06500	2.5
205.12215	15.1
205.15834	3.5
216.04689	2.5
217.12346	6.0
239.14299	3.1
239.17928	5.4
253.19499	4.0
256.26334	3.4
257.18881	4.4
263.17871	4.1
270.27908	7.3
271.20404	2.9
275.20065	7.2
281.18958	8.2
287.20029	15.6
299.20044	47.6
300.20212	5.4
316.35217	3.5
317.20718	31.9
317.28690	4.6
317.32227	24.1
317.35510	3.5
318.21066	3.1
318.30008	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03941	3.4
53.96048	1.1
55.01875	1.4
55.05502	8.4
55.67371	1.1
56.58401	1.1
57.03434	15.4
57.07077	4.6
59.05000	1.7
59.79350	1.1
65.03947	3.0
67.05498	25.7
69.03434	2.8
69.07062	11.8
69.14002	3.7
69.14422	4.4
71.04987	1.3
79.05484	10.1
81.03409	67.4
81.07050	34.2
83.04977	7.0
83.08603	5.3
85.06542	2.3
91.05474	20.9
93.07043	15.3
95.04961	100.0
95.08596	20.4
97.06571	1.8
99.08102	4.7
101.95303	1.1
103.05465	1.5
105.07017	31.2
107.04974	2.4
107.08595	13.1
109.06504	14.4
109.10159	18.8
117.07019	4.3
117.09919	1.1
119.08577	25.8
120.08863	1.3
121.06498	6.6
121.10143	11.5
123.04424	14.8
123.08045	6.6
123.11694	48.1
124.11971	1.2
125.09639	1.3
129.06969	2.0
131.08542	7.8
133.06525	1.7
133.10118	19.0
135.08028	8.4
135.11688	4.4
137.05992	2.0
137.09616	4.5
137.13235	9.2
141.05472	3.6
143.08557	4.0
145.06433	5.6
145.10126	7.2
147.08020	2.3
147.11678	14.9
149.09616	4.5
149.13268	1.9
151.11130	2.1
155.08568	1.7
157.10146	3.4
159.08084	1.9
159.11685	7.0
161.09650	4.3
161.13257	15.9
163.11142	1.9
163.14822	1.6
165.12737	13.9
169.10117	2.2
171.11626	2.6
173.09637	2.0
173.13261	4.0
175.11208	3.0
175.14835	5.1
177.12729	3.1
177.16371	4.0
179.10765	1.6
183.11649	2.1
185.09688	1.7
185.13321	1.6
187.11240	2.3
187.14845	1.8
189.12714	2.2
189.16370	1.6
191.14394	1.4
191.90169	1.2
195.13797	1.2
195.17493	3.9
199.11134	1.4
199.14815	1.5
205.15886	11.8
215.14397	1.5
217.15897	3.0
227.14362	1.8
229.12195	1.6
231.17409	1.4
241.15814	2.5
243.17491	3.3
245.15347	1.8
253.19514	2.0
271.20517	3.7
271.99002	1.1
281.19009	3.6
281.22296	1.3
299.20053	18.0
299.23441	2.8
317.21054	49.3
317.24777	52.7
318.21191	1.9
318.24512	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03946	3.7
55.05510	13.9
57.03438	15.2
57.07075	4.8
57.70168	1.1
58.88222	1.1
59.05009	1.4
60.32744	1.1
60.59216	1.2
65.03940	4.1
67.05502	41.0
67.05866	2.0
69.03432	4.3
69.07068	16.3
69.08827	1.1
69.24221	6.4
71.04997	2.3
79.05492	17.0
81.03416	69.7
81.07053	38.9
82.33372	1.2
83.04978	7.0
83.08630	5.8
85.06564	3.0
91.05476	32.6
93.07044	19.3
95.04965	100.0
95.08603	28.2
95.09206	2.0
97.06539	3.7
97.10175	1.8
99.08092	7.4
103.05466	1.5
105.07027	48.0
107.04964	3.4
107.08585	19.8
109.06523	18.7
109.07227	2.0
109.10161	22.6
111.08095	1.9
117.06992	8.0
119.08577	37.3
119.09430	2.2
121.06512	5.0
121.10150	15.4
123.04436	14.3
123.08071	7.6
123.11704	42.6
129.06996	2.8
131.08553	12.2
133.06506	3.4
133.10117	25.9
135.08035	8.9
135.11673	6.7
137.09636	5.1
137.13240	7.1
139.07541	1.7
139.11172	1.4
141.05457	4.2
141.06946	1.4
142.07790	1.3
143.08539	4.7
145.06458	6.2
145.10143	11.4
147.08069	3.6
147.11678	24.6
149.09637	5.3
149.13229	4.3
151.07536	2.1
151.11244	1.1
155.08546	2.1
157.10158	4.4
159.08076	3.3
159.11687	9.5
161.09669	5.6
161.13264	16.5
163.11182	2.8
163.14778	1.5
165.09140	1.6
165.12784	9.2
169.10127	2.6
171.07965	1.3
171.11691	3.2
173.09641	2.8
173.13274	6.1
175.11208	4.1
175.14810	7.7
177.09116	1.6
177.12727	1.7
177.16403	3.8
179.07051	3.1
179.10687	1.3
179.14232	1.3
183.11775	1.9
185.09607	2.1
185.13248	2.5
187.11180	3.5
187.14882	3.4
189.12781	2.5
189.16335	1.9
191.14337	2.9
195.13750	2.0
195.17497	3.2
197.13295	1.5
199.11147	1.5
199.14809	2.4
201.12773	1.7
201.16406	2.0
203.14301	2.3
205.15878	14.5
215.14253	2.1
215.17928	1.5
217.15851	3.6
227.14247	1.5
241.15843	1.9
243.13718	1.6
243.17487	4.2
245.15433	2.6
259.16800	1.4
261.18576	1.8
271.20538	4.8
281.18936	3.4
289.21667	1.5
299.20074	17.1
299.23596	3.4
300.20264	1.3
317.21088	45.5
317.24780	67.5
318.21399	3.9
318.24750	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	317.2111
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03943	2.1
55.01878	9.6
55.05515	9.6
57.03425	7.5
57.07065	3.0
67.05508	14.9
69.03419	4.2
69.07063	26.9
71.04989	11.6
73.02880	1.6
79.05483	24.3
81.07054	73.9
83.04967	6.4
83.08601	3.5
85.06549	16.4
91.05466	12.3
91.35480	1.5
93.07041	11.5
95.04949	6.5
95.08599	12.4
97.06528	17.0
98.22663	4.4
99.04423	5.0
99.08063	3.5
105.04484	1.6
105.07025	26.1
107.08586	14.4
109.06505	17.2
109.10143	12.8
111.08044	2.7
117.07037	7.7
118.65065	1.5
119.08584	24.3
121.06503	5.0
121.10149	13.6
123.08026	10.7
123.11710	3.0
125.09628	5.8
128.06203	3.6
129.07034	4.1
130.07771	3.9
131.08536	17.9
133.10124	22.5
135.08049	9.0
135.11684	4.8
137.09612	5.6
138.02228	1.6
141.07010	2.0
142.07771	6.4
142.76096	1.9
143.08553	15.0
144.09309	6.4
145.10118	35.9
147.08076	6.5
147.11711	9.1
149.09616	10.7
149.13298	2.7
151.11186	7.8
153.07147	2.2
154.07692	2.3
155.08591	9.1
156.09317	8.2
157.10155	19.8
158.10861	5.3
159.08089	8.7
159.11679	24.8
161.09613	14.1
161.13237	7.4
163.11160	5.3
165.09103	2.9
167.08568	4.3
168.09338	4.4
169.10101	19.4
170.10905	6.3
171.08073	2.8
171.11691	22.0
172.08815	4.6
172.12389	2.9
173.09637	12.6
173.13252	33.2
174.10336	4.4
175.11191	12.0
175.14781	2.8
177.12718	4.8
179.10651	7.3
181.10049	6.1
182.10855	10.2
183.11690	20.8
184.12512	3.2
185.09599	6.4
185.13232	19.1
186.10356	5.7
187.11176	34.0
187.14810	26.5
188.11723	2.3
189.12737	30.3
191.10634	3.2
191.14287	11.5
193.10225	3.3
195.11700	8.9
196.12451	6.1
197.09668	2.2
197.13240	39.2
198.10370	2.3
198.13904	2.4
199.11188	4.4
199.14839	9.0
200.11945	2.8
201.12759	14.0
201.16360	6.9
202.13004	2.5
203.10747	5.1
203.14314	9.4
205.12193	3.7
206.43494	1.7
208.12482	2.7
209.13274	8.3
209.15356	5.5
210.13977	8.5
211.11165	5.2
211.14774	19.8
213.12727	18.8
213.16367	3.7
215.14301	37.2
215.17761	1.9
216.14673	1.7
217.12238	3.7
217.15839	4.5
218.12985	5.4
219.11790	2.5
219.13805	6.1
223.14809	3.6
224.15578	2.8
225.12784	10.1
225.16324	4.7
226.17059	1.8
227.14232	6.7
227.17979	3.2
229.15843	21.1
231.13789	21.7
233.15370	18.3
235.15076	2.0
237.16393	7.2
239.14333	15.8
239.17941	41.5
240.18097	2.3
241.15845	3.9
243.13834	6.8
243.17375	3.8
245.15424	4.4
249.14717	1.7
252.14926	3.2
253.15874	5.6
253.19469	4.5
255.17413	4.7
257.15222	7.7
257.19058	6.6
261.18365	2.5
263.17920	8.9
269.18942	3.8
271.17007	4.3
271.20532	3.9
272.03253	1.5
275.16367	2.4
280.29938	1.8
281.19031	15.4
287.20078	7.4
299.20032	43.3
300.20300	2.4
317.21091	100.0
318.21576	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	317.2109
Annotation	15-deoxy-PGA2
Peak:m/z	Relative Intensity
53.03932	1.2
55.01661	0.4
55.01868	4.9
55.05261	0.5
55.05504	7.9
55.40628	0.5
56.03855	0.4
57.03176	0.6
57.03430	8.0
57.07078	3.1
58.03750	0.6
59.04982	1.2
63.67194	0.5
64.38520	0.4
65.03934	1.1
67.05167	0.8
67.05500	12.3
69.03427	2.6
69.07065	10.3
70.59305	0.6
70.59621	0.8
71.04680	0.5
71.04987	5.2
77.03922	0.6
79.05488	23.1
81.03391	2.0
81.07051	56.4
82.07381	1.1
83.04984	3.6
83.08594	2.6
85.02876	1.2
85.06049	0.7
85.06534	13.2
91.04955	0.7
91.05476	8.0
93.07037	12.0
95.04951	6.0
95.08596	12.7
96.05290	1.5
97.06522	12.5
98.22770	0.5
99.04451	10.1
99.08064	1.7
101.02356	0.9
101.05991	0.8
103.05483	0.6
105.04460	0.6
105.06351	1.1
105.07026	17.9
106.07337	0.7
107.04951	1.5
107.07841	0.8
107.08581	16.4
109.06511	18.5
109.09416	1.0
109.10145	16.0
110.06832	0.6
111.08079	6.0
113.05978	1.6
113.09665	0.8
114.70160	0.5
115.05448	1.1
117.06984	4.5
119.04908	1.0
119.08567	21.7
120.08836	0.8
121.06498	4.4
121.09268	0.6
121.10132	10.4
122.10455	0.7
123.08068	8.5
123.11703	3.0
125.05948	1.0
125.09624	4.7
127.07538	1.4
128.06215	1.5
129.07027	3.3
130.07761	2.3
131.08554	14.0
133.06483	1.6
133.10114	20.5
134.10519	0.5
135.08049	6.2
135.11694	5.9
137.05836	0.5
137.09610	7.0
141.06979	2.1
142.07774	3.7
143.08551	10.2
144.09363	3.4
145.06462	1.9
145.10110	21.7
146.07220	0.9
146.10466	0.9
147.08052	4.7
147.11681	9.4
149.09607	8.4
149.13228	2.4
151.07507	0.6
151.11165	9.6
153.06993	0.6
153.09093	0.5
153.12691	1.1
155.08519	5.1
156.09317	5.5
157.10118	12.4
158.07231	1.5
158.10924	4.9
159.08043	9.5
159.11676	17.0
160.08755	1.6
161.08376	0.9
161.09612	12.0
161.13248	5.5
163.07622	0.8
163.11157	4.5
163.14763	1.3
165.06996	0.9
165.09071	2.3
165.12738	1.9
167.08516	1.4
167.10695	0.7
167.14320	1.6
168.09317	2.0
169.08630	0.8
169.10101	7.0
170.10934	2.9
171.08066	3.1
171.11673	14.1
172.08820	3.8
172.12383	2.3
173.08157	1.0
173.09605	14.9
173.13239	16.8
173.86877	0.7
174.10300	2.1
174.13515	0.6
175.11168	12.3
175.14755	3.1
176.11784	1.3
177.09082	1.2
177.12662	2.6
179.08464	0.6
179.09081	0.7
179.10638	7.3
180.09271	0.6
180.11205	0.5
181.10085	1.8
182.10942	3.4
183.08125	1.0
183.11664	8.0
184.12390	1.8
185.09624	5.3
185.13226	9.8
186.10374	11.3
186.13873	1.0
187.11165	38.3
187.14777	10.3
188.11620	2.4
188.15210	0.7
189.09085	0.8
189.12723	14.5
190.13211	1.2
191.10640	2.2
191.14290	14.5
193.12236	1.9
194.10835	0.7
195.11636	3.7
196.12457	2.1
197.09581	1.4
197.11472	0.3
197.13220	12.7
198.10330	1.6
198.13972	1.2
199.11172	5.2
199.14775	4.1
200.11922	8.4
201.12727	9.6
201.16251	2.9
203.10710	2.7
203.14287	20.0
204.14716	0.8
205.12207	1.0
205.15880	1.0
207.11845	0.9
207.13777	2.1
209.09656	0.7
209.13280	2.5
209.15335	11.8
210.10332	0.8
210.13983	2.0
211.11188	2.3
211.14792	6.4
212.11992	0.9
213.12732	8.7
213.16272	2.7
214.13197	0.9
215.14294	84.7
216.14647	3.5
217.12292	5.1
217.15857	7.1
218.12935	2.2
219.13765	4.5
221.11668	1.5
221.13480	0.7
221.15318	0.7
223.14703	1.2
224.11990	0.6
224.15596	1.4
225.12714	5.3
225.16165	2.5
226.13425	1.1
227.14326	5.5
227.17894	2.6
229.12215	1.5
229.15816	4.6
231.13800	9.6
233.15346	42.3
234.15683	1.6
236.13969	0.7
237.12685	1.2
237.16484	1.3
239.14284	2.6
239.17918	9.5
241.15808	2.3
243.11372	1.1
243.13754	8.5
243.17422	3.8
244.14340	1.0
245.15292	3.1
245.18951	1.8
247.13217	1.5
249.14848	2.5
251.14296	0.7
252.15094	1.1
253.15849	2.3
253.19513	2.7
255.17419	3.4
257.15356	7.1
257.18973	8.3
259.16916	1.1
261.14716	0.7
261.18445	2.2
263.17950	1.6
266.16577	1.0
269.19012	1.9
270.16013	0.8
271.16907	9.6
271.20511	5.4
273.18408	2.3
275.16400	5.6
275.19977	1.9
281.18964	7.0
282.19214	0.6
287.20010	8.6
289.21619	1.5
299.20007	35.1
300.20328	2.1
302.18765	0.6
317.21057	100.0
318.21451	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	317.2114
Annotation	Galeopsinolone
Peak:m/z	Relative Intensity
53.03939	2.4
55.05497	1.4
55.08081	1.0
57.03445	7.0
57.07067	4.6
61.87221	1.0
64.57957	1.0
65.03924	1.3
67.05503	18.5
68.73626	1.0
69.07069	1.3
70.06598	7.9
71.08624	2.3
79.05479	2.8
81.03416	68.9
81.07047	5.5
83.04964	1.3
85.06542	1.1
85.10173	1.3
88.03980	4.9
88.07615	9.9
91.05478	2.1
93.07042	3.0
95.04964	100.0
95.08599	2.4
97.06520	1.2
98.22703	2.4
98.97613	1.6
102.09171	4.2
105.07013	5.1
107.04983	1.4
107.08559	5.1
109.06474	1.0
109.10181	2.8
111.08068	1.3
113.07605	3.2
114.07285	2.3
114.09158	1.6
119.08565	6.0
121.06507	5.0
121.10133	14.8
123.04424	24.4
123.08082	2.0
123.11695	16.2
125.09628	1.6
129.07080	1.5
131.04948	1.0
131.08621	1.5
132.10197	6.8
133.10112	7.6
135.08046	2.5
135.11690	2.6
137.09604	7.0
141.05487	5.2
143.08582	2.2
145.06508	5.4
145.10103	2.9
147.08029	7.9
147.11642	1.9
149.09639	1.8
150.11273	4.7
157.10091	1.5
159.11702	1.9
161.13240	10.8
165.09070	2.3
169.10168	1.5
171.08064	1.2
171.11739	2.1
173.09628	2.3
175.14876	1.5
177.16438	3.8
179.14297	4.6
183.11804	1.2
185.09496	2.0
187.11205	3.5
189.12714	2.0
193.12260	2.7
195.17462	2.7
199.14871	2.7
201.12741	2.8
203.14404	1.3
209.13249	1.4
217.15898	1.3
227.14252	6.4
230.24759	2.5
243.17603	1.6
245.15341	5.1
256.26358	14.9
274.27417	2.0
281.18973	2.9
281.26288	2.7
282.25995	1.8
288.92090	1.4
290.40942	1.0
299.20007	5.5
306.93307	1.7
317.21100	20.7
317.28140	18.3
318.21729	1.4
318.30215	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	317.2475
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	1.0
55.05510	18.6
57.03413	0.6
57.07076	7.3
59.04993	0.9
62.00121	0.5
65.03922	0.7
67.05502	21.0
69.03428	3.2
69.07066	30.2
69.50108	1.7
71.04983	1.3
71.08631	2.0
77.03925	0.8
79.05042	1.1
79.05488	16.5
81.03407	1.0
81.07053	25.7
83.05000	1.1
83.08621	9.3
85.06523	1.3
85.10144	0.6
88.45438	0.5
91.05478	22.1
92.05759	0.6
92.37761	0.6
93.07041	29.7
95.04962	5.9
95.08600	15.2
97.06545	2.3
97.10161	2.2
99.08101	0.5
101.09667	0.5
103.05450	1.1
105.04527	1.2
105.07025	45.3
106.07344	1.1
107.04956	1.5
107.08589	25.2
108.08862	0.7
109.06512	9.4
109.10143	6.4
111.08081	1.0
117.07020	5.9
119.08575	40.7
120.08887	1.1
121.06503	25.9
121.10135	9.4
123.08078	4.4
123.11684	4.7
125.09589	0.5
129.06984	1.3
131.08556	11.0
133.06487	1.0
133.10121	17.9
134.10419	0.7
135.08052	19.4
135.11668	8.6
137.09584	0.6
137.13275	0.9
139.11177	0.7
143.08559	1.9
144.09325	0.8
145.10118	9.2
147.08058	1.5
147.11670	13.4
149.09619	3.2
149.13266	4.3
151.11140	0.9
153.12708	0.7
157.10086	1.3
159.11682	6.9
161.09610	2.5
161.13240	15.1
163.11176	15.0
163.14807	2.6
164.11545	0.7
165.12762	4.1
171.11705	0.6
173.13240	3.1
175.11174	1.0
175.14819	8.1
177.12737	17.4
177.16280	0.8
178.13197	0.5
179.14224	1.0
185.13277	0.7
187.14818	2.5
189.12755	0.8
189.16385	4.4
191.14316	2.9
197.13196	0.9
201.16399	1.9
203.17839	1.5
205.15860	1.8
205.19362	0.6
215.17995	1.2
217.15907	0.8
219.17494	1.2
229.19443	0.5
233.18968	1.4
247.16893	1.1
261.18454	2.3
261.25757	1.5
271.24127	2.9
275.20050	3.1
281.22519	1.0
289.25244	16.3
290.25565	1.2
299.23639	4.1
304.15967	0.5
317.24713	100.0
318.25085	7.0
318.28738	0.8
318.30203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49644	2.8
55.52857	2.9
67.85957	2.8
68.56733	2.5
69.08933	2.7
69.77055	10.3
72.75180	2.8
73.78433	3.0
79.05498	16.9
91.05482	7.0
93.07037	55.3
95.06091	8.5
105.07015	7.6
107.08593	13.0
118.02950	2.8
120.08128	3.3
121.10136	100.0
122.10460	2.9
123.12675	3.0
141.87399	3.2
147.22908	3.2
149.09583	7.0
159.09200	7.4
174.05971	3.6
256.53372	3.1
275.04788	3.3
303.04480	5.7
318.06827	20.3
318.18143	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
64.12785	1.4
67.05486	1.9
69.03418	1.6
69.61108	1.4
73.55355	1.3
79.05482	18.4
81.07024	2.7
89.02396	2.1
91.05455	6.8
93.07030	44.1
93.86373	1.3
95.04974	2.3
96.36772	1.6
105.07005	7.5
107.08579	12.4
120.08079	2.4
121.10124	100.0
121.57401	1.3
122.10429	1.4
123.42377	2.3
134.58611	1.7
137.13794	1.6
149.09645	3.7
159.09135	1.8
172.66545	1.4
265.96201	1.5
301.15656	1.7
318.17728	1.4
318.21713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88134	1.9
53.03942	2.6
54.91945	2.1
55.01849	3.5
57.03428	6.0
61.02913	10.5
69.03436	20.9
73.02909	5.6
81.03412	5.8
84.04513	5.3
85.02901	100.0
85.03414	5.1
86.09698	44.6
87.04474	3.1
91.03957	7.0
97.02884	26.8
99.04417	5.5
109.02860	5.8
120.70812	2.2
121.06499	71.0
122.06844	3.4
127.03896	19.6
145.04955	42.2
156.10237	3.0
163.06053	8.1
180.08638	15.4
187.07520	9.6
189.12407	10.9
205.08658	6.9
229.08556	2.3
243.13445	3.0
247.09589	3.9
265.10883	2.7
319.13519	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.9
60.21612	2.0
61.02916	8.1
62.22001	2.1
63.39319	2.2
63.43988	1.8
68.91660	2.2
69.03434	16.4
70.50791	3.3
71.05008	2.3
71.21867	2.0
73.02924	4.5
73.81817	2.0
78.96954	2.7
81.03452	5.3
83.25516	2.0
85.02906	100.0
87.04473	3.5
91.03970	6.7
91.05489	3.9
93.07011	3.6
97.02900	23.6
99.04477	3.9
103.05469	3.6
105.90395	2.5
109.02885	7.3
121.06506	87.0
127.03899	23.6
145.04955	42.8
145.06407	3.7
159.07962	3.7
163.06038	10.1
163.97397	2.4
180.08673	3.6
187.07571	17.9
205.08580	11.2
229.08624	5.3
247.09570	3.8
265.10635	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	318.2063
Annotation	Protoemetine
Peak:m/z	Relative Intensity
51.17993	0.6
53.03933	1.0
55.01871	5.1
55.05513	4.2
55.05735	0.8
56.05049	0.6
57.03418	0.7
65.03943	1.6
67.05501	15.2
68.05027	1.5
69.03417	0.6
69.05783	0.7
69.07053	3.6
70.06587	3.3
70.39616	1.3
70.44141	0.6
71.04980	1.4
73.63582	0.6
79.05487	19.7
80.05003	2.1
81.03416	2.7
81.07053	9.5
82.06567	2.2
83.04963	1.7
83.08617	1.7
84.04500	0.7
84.08121	1.0
85.06532	0.8
86.06095	0.8
88.07619	0.9
91.05481	10.1
93.05767	0.6
93.07039	10.2
94.06562	10.0
95.04959	5.8
95.08597	5.0
96.04491	0.6
96.05272	0.8
96.08125	14.1
97.06553	0.6
97.10139	0.7
98.06095	0.7
105.04455	1.2
105.07016	7.2
106.06553	2.3
107.04955	7.2
107.08581	5.3
108.08121	1.6
109.05273	1.2
109.06503	1.2
109.10149	1.7
110.06026	0.9
112.07604	4.1
117.07007	2.1
118.06544	1.6
119.08597	3.8
120.08104	12.8
120.08981	0.7
121.06487	2.1
121.10158	2.4
122.06033	7.3
122.09615	0.9
123.04470	0.8
123.08131	0.8
124.07598	1.2
129.07014	1.2
131.08583	2.2
131.33290	0.5
132.08046	1.4
133.06503	1.0
133.08882	1.7
133.10114	1.6
134.06013	0.8
134.09639	1.4
135.07976	0.8
135.11687	1.9
136.07567	32.1
138.09158	1.3
143.08559	0.9
145.06477	1.1
145.10127	1.7
146.09662	3.4
147.10437	0.8
147.11673	1.6
148.07558	15.8
148.11182	1.2
149.08324	4.2
149.09512	1.0
150.09119	2.9
156.08064	0.9
158.09624	1.2
159.11661	0.9
160.07549	1.1
160.11165	1.6
161.13141	0.8
162.09131	2.5
163.11163	7.1
170.09657	1.0
171.11719	1.1
172.11249	1.1
174.09103	2.7
174.12776	0.9
175.09874	0.8
176.10721	1.6
187.11200	1.1
187.14876	0.6
188.10712	1.0
189.12701	1.0
196.12155	0.6
224.16479	0.6
226.86946	0.6
262.18085	0.7
272.20111	4.3
274.18677	0.8
274.21674	1.9
274.52979	0.5
282.18616	2.6
288.19580	1.5
290.21103	2.6
295.11972	1.0
300.19559	48.8
301.19876	2.9
318.12637	1.9
318.20624	100.0
318.30338	2.7
319.15265	0.7
319.20956	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.20358	0.9
56.96566	1.2
57.82825	0.9
58.99877	2.1
69.23271	0.8
70.06584	2.5
70.36146	0.9
70.99854	3.4
71.42564	1.0
72.08158	1.6
72.97220	0.9
73.18405	0.9
77.00912	2.0
82.99875	2.6
84.08131	5.4
85.08452	1.1
86.09710	2.5
89.00877	1.4
91.02486	1.3
91.05489	1.1
98.97575	3.4
101.00876	18.8
103.02454	1.6
110.07191	4.6
113.00858	1.2
115.02440	6.6
116.98624	3.2
117.03388	1.9
119.01917	56.0
120.01980	2.5
129.10243	3.2
131.01901	6.7
133.03459	39.4
134.03610	1.4
134.99600	1.6
137.02972	9.7
138.98840	1.5
144.10234	1.3
145.02840	3.3
146.06021	2.8
149.02945	3.9
151.04524	14.6
155.01932	1.1
156.99796	5.4
157.03424	1.2
161.02979	7.2
163.04546	2.0
171.01378	10.2
171.05084	0.9
173.02969	4.0
174.02507	1.1
175.00880	58.2
176.01094	2.6
177.00870	2.7
177.05453	5.3
179.00696	4.8
179.03983	1.8
185.03120	0.9
189.02440	30.0
190.02603	1.4
191.04036	2.4
193.01965	16.9
194.04201	1.8
199.00829	8.4
203.01987	2.0
203.03925	1.4
204.24527	1.0
205.00591	1.1
205.02243	6.4
207.03487	3.5
217.01935	100.0
218.02104	7.0
219.01964	4.6
220.02292	1.3
221.03008	46.6
222.03162	2.2
222.06244	2.3
227.00488	1.2
231.03545	7.8
233.07672	1.0
235.02979	61.8
236.03250	4.7
239.04025	7.7
240.03639	2.2
245.01335	4.3
245.05170	1.0
246.06000	1.1
247.04646	9.1
249.01352	1.0
249.04541	5.0
259.00314	2.0
259.02972	15.8
259.05524	1.0
260.02975	1.1
261.03085	2.2
262.03119	1.2
263.02530	1.3
264.03012	1.1
264.07089	1.2
266.12872	1.1
271.06677	1.1
272.95361	2.0
275.03995	3.4
277.01199	2.3
277.04062	40.9
278.04166	2.4
295.05273	5.9
301.01437	2.7
309.08127	1.8
319.02026	4.6
319.09891	7.6
319.13406	1.7
319.19617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46028	3.4
55.93808	4.0
70.06577	7.9
71.42485	5.5
71.91827	4.1
73.33741	3.7
84.08145	8.5
85.64227	4.5
98.57220	3.5
132.02098	25.8
143.02005	4.0
144.10184	100.0
144.11298	7.6
145.10518	20.6
158.11832	3.9
160.09734	3.8
173.02950	4.1
175.11960	11.3
176.01083	63.9
177.05479	4.1
182.05786	13.9
217.02057	3.7
263.19208	3.7
302.38895	4.9
319.07654	20.5
319.10144	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	319.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13694	0.5
53.16276	0.5
54.86411	0.5
55.01863	1.3
55.05492	1.5
56.05030	3.6
56.63844	0.5
56.79238	0.5
58.99578	5.6
59.49732	0.5
61.01137	1.4
62.37818	0.6
67.05489	1.7
68.05009	1.2
69.07075	1.0
70.06555	0.8
70.21033	0.5
70.75402	0.7
70.75714	0.6
72.08133	1.6
74.00661	3.5
76.02226	3.5
76.04020	0.6
79.05480	2.2
80.05013	1.6
81.03392	2.0
81.07056	4.4
83.04967	0.7
83.08596	1.5
84.04495	1.0
84.08131	1.2
85.01128	3.9
86.00645	25.9
86.09668	0.6
87.02678	1.7
88.02195	2.1
89.68123	0.6
91.05495	0.6
93.05830	0.5
93.07026	1.9
94.06541	1.1
95.04958	0.7
95.08597	4.0
96.08118	1.4
97.01066	0.7
97.02869	0.5
97.10042	0.5
98.09689	4.8
100.02199	1.3
101.04225	2.0
102.05513	1.6
105.07011	1.5
108.08118	0.7
109.56423	0.6
110.09685	3.1
111.02653	0.5
112.03947	1.0
113.04224	12.1
116.01680	2.1
119.08556	0.5
121.10164	0.8
122.09644	4.4
123.08028	2.8
127.05688	0.6
128.06175	0.6
129.07324	7.3
130.05020	1.0
130.06813	1.5
139.05731	2.3
143.02858	0.7
144.01134	0.6
146.02708	0.9
154.06709	0.5
156.08411	79.2
156.10170	5.3
156.90968	0.6
157.08727	1.5
162.02155	0.9
167.10713	0.8
175.09590	0.7
182.05925	1.4
188.01633	0.5
189.03227	0.7
193.12389	0.6
198.09454	19.5
207.10815	0.6
213.10571	3.6
216.10516	100.0
217.10780	3.1
226.09044	0.9
242.08232	0.9
255.11671	1.3
258.16977	0.8
259.11102	42.6
260.09109	1.3
260.11484	1.1
283.11185	2.0
301.12222	4.3
319.04376	0.9
319.13196	31.1
319.19293	1.4
320.13400	1.8
320.19186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05500	3.4
56.05029	5.4
58.99586	11.5
61.01151	2.2
67.05499	4.7
68.05028	1.1
69.03426	1.0
69.07065	1.1
70.00844	3.7
71.09062	1.0
72.08140	2.7
73.01150	1.5
73.06535	1.2
74.00648	3.1
76.02215	6.3
79.05500	4.0
81.03425	1.6
81.07056	10.5
82.71918	1.0
83.08554	0.9
84.04485	3.4
85.01127	6.6
85.02904	6.7
86.00652	30.9
87.02692	2.2
88.02207	4.3
88.03982	1.6
93.07001	1.1
95.08624	7.6
97.01126	1.2
98.09691	15.0
100.02213	2.3
100.07616	1.7
101.04243	4.5
102.05544	4.9
105.07055	1.5
110.09689	5.6
112.03951	4.1
113.04227	17.3
116.01687	6.7
122.09690	5.4
123.08056	5.9
127.05780	1.4
129.07333	18.8
130.05016	12.2
130.06879	3.2
139.05769	3.7
142.88132	1.0
143.02769	4.1
144.01207	1.1
145.06068	3.7
146.02702	2.4
146.06001	1.3
156.08421	87.2
156.10193	12.1
157.08734	2.9
160.09589	1.6
160.90163	1.1
162.02203	4.4
162.66821	1.2
179.04912	1.4
189.03246	6.7
190.12256	3.8
198.09471	17.7
213.10538	1.7
216.06970	5.2
216.10527	100.0
217.10789	1.8
226.08948	2.0
255.11543	1.9
259.11108	91.4
260.11478	1.6
283.11176	2.0
290.75134	1.1
301.11978	2.1
319.04535	2.4
319.13199	85.3
320.13568	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2261
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
53.03943	4.6
55.01864	28.8
55.05505	34.0
57.03426	4.8
57.07070	9.2
67.05502	25.0
68.05812	2.9
69.07066	18.3
69.49685	5.8
69.50089	7.9
70.06589	17.1
71.08624	5.9
79.05489	30.7
81.03405	10.6
81.06570	4.9
81.07049	100.0
82.03729	4.7
83.04971	8.2
83.08617	12.3
85.06548	4.1
88.07620	13.0
89.07935	3.8
91.05466	25.2
93.07029	39.4
94.77988	2.9
95.04955	22.6
95.08597	41.9
96.05297	5.2
97.06523	10.1
99.08090	4.7
103.05485	5.4
105.07020	59.7
107.04904	3.7
107.08578	45.6
107.12219	3.0
109.06506	8.9
109.10141	21.3
111.08076	14.0
114.07202	2.8
115.07553	2.8
117.07023	10.7
119.08572	48.7
121.06493	22.3
121.10138	29.4
123.08070	7.8
123.11735	5.8
125.06029	3.3
125.09634	3.7
129.06987	11.8
131.08572	38.9
131.12323	2.7
132.10222	8.6
133.06488	6.1
133.10074	30.1
134.07249	29.7
135.08073	10.4
135.11676	17.2
137.09589	5.6
139.11067	2.8
142.07808	6.4
143.08577	23.7
144.09288	4.5
144.63326	3.0
145.10124	40.6
146.10384	3.7
147.08032	49.4
147.11653	35.8
149.09613	9.6
149.13251	10.3
150.11253	11.8
151.11201	5.9
155.08548	11.9
156.09355	5.3
157.10130	27.5
159.08063	15.3
159.11668	45.3
161.09639	14.5
161.13255	42.9
163.11168	10.1
163.14799	3.9
167.10678	4.8
169.10103	10.0
171.11703	21.7
173.09584	7.8
173.13271	43.0
174.13582	3.3
175.11194	13.6
175.14839	15.8
177.12700	19.9
177.16248	3.4
179.08438	2.8
181.10107	4.9
182.10973	7.0
183.11659	15.5
185.09502	3.6
185.13213	19.5
186.10252	3.1
187.11200	7.5
187.14757	15.3
189.12721	92.8
190.13237	4.5
191.14313	10.5
193.15904	10.6
195.11639	4.0
196.12155	2.9
197.13223	26.1
199.14803	22.4
201.12611	7.8
201.16379	8.1
203.14279	11.7
205.15865	10.1
207.13786	25.1
208.14542	8.5
209.13235	6.1
211.14775	7.8
213.16284	10.1
214.13347	2.7
215.14336	27.0
215.17819	5.2
217.15848	4.2
219.13831	7.3
221.15286	6.5
223.14798	7.4
225.16353	5.9
227.14334	5.9
227.17903	5.7
229.19507	6.5
241.19440	4.5
243.17397	3.8
243.21140	7.2
253.19487	39.3
255.20975	8.2
257.18945	5.1
259.20572	5.9
265.19540	5.8
271.20544	88.9
272.20877	3.9
272.71417	3.5
273.22128	13.4
283.20563	17.8
283.26389	3.3
289.21622	30.2
290.21951	3.4
301.21576	43.8
302.21979	3.7
318.29913	9.8
319.22632	56.8
319.30646	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.67996	3.3
55.05513	11.0
56.96556	6.9
57.03426	8.4
57.07071	10.2
67.05497	9.8
69.03417	4.1
69.07066	54.7
69.15742	12.1
69.16160	10.0
79.05486	20.3
81.07050	15.2
83.08626	9.4
85.06542	3.5
88.07636	8.5
91.05474	4.9
93.07042	13.7
95.04958	5.9
95.08602	19.7
97.06529	39.1
99.08056	3.9
105.07034	12.8
107.04977	6.5
107.08598	18.1
107.65858	3.4
109.06503	5.6
109.10143	12.4
117.07006	3.9
119.08608	16.2
121.10152	21.1
123.08050	10.0
123.11726	19.6
125.05970	6.1
131.08592	6.4
133.10132	13.0
135.08069	10.8
135.11681	6.4
137.10556	3.3
137.13240	4.7
142.48665	3.4
143.08566	6.1
145.10132	11.0
147.11671	10.8
149.09587	6.8
149.13271	3.7
153.09113	8.0
157.10193	5.7
159.11676	12.2
161.09662	5.7
161.13264	9.2
163.11160	4.8
171.11737	10.1
173.13243	9.1
175.11134	6.0
175.14890	4.3
177.12679	4.7
177.16357	3.6
183.11699	4.9
185.13255	7.9
187.11179	8.1
191.14360	6.5
199.14813	14.5
201.16383	9.8
201.42859	3.8
203.14325	9.4
205.15973	13.8
207.17065	3.3
217.15855	7.2
217.19380	3.1
221.15379	7.6
231.13815	5.2
255.21083	4.9
257.19034	13.8
273.21982	8.1
275.20032	9.7
283.20584	5.8
301.21585	21.2
318.29971	6.0
319.19434	8.2
319.22653	100.0
319.30267	28.4
320.22903	7.6
337.20422	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	319.2268
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
51.54053	0.7
53.03934	1.4
55.05507	6.7
57.03426	1.6
57.07063	3.2
59.04998	6.4
60.31596	1.0
63.98824	0.8
67.05495	11.1
69.03426	12.5
69.06720	0.9
69.07065	17.1
71.04980	3.3
79.05489	11.1
81.07056	25.5
83.04976	5.1
83.08620	2.1
85.06526	2.7
87.04478	1.1
90.15857	0.8
91.05476	9.8
93.07038	26.7
95.04961	7.6
95.08599	31.5
96.08920	0.9
97.06523	16.8
97.10141	1.9
99.08050	1.4
101.06004	3.6
103.15760	0.8
105.07019	19.0
107.04955	2.5
107.08584	30.3
109.06504	7.1
109.10147	18.3
109.38581	0.9
111.08057	3.3
112.54729	0.7
117.07001	1.7
119.08572	43.4
120.08930	0.9
121.06500	1.6
121.10135	32.7
123.08059	13.3
123.11692	11.1
125.05959	2.6
125.09629	2.1
127.07422	1.2
131.08562	7.1
133.10121	44.7
134.10426	1.2
135.08055	2.6
135.11684	39.6
136.12076	0.9
137.09607	13.7
139.11165	8.0
142.07776	1.5
143.08542	2.8
145.10133	11.8
147.11676	23.8
148.11966	1.1
149.09612	9.9
149.13239	3.2
151.11194	7.5
151.14810	8.8
151.15977	1.2
153.12724	3.0
156.09308	2.0
157.10091	5.9
158.10922	1.3
159.11684	6.4
161.09592	1.9
161.13257	12.1
163.11194	4.7
165.09082	3.1
165.12729	9.0
167.10669	32.8
168.11041	0.9
169.10121	1.1
170.10953	1.2
171.11632	4.4
173.13255	6.1
175.11292	1.2
175.14807	25.3
177.12700	1.5
177.16370	1.9
179.10670	1.1
179.14279	3.2
181.12282	0.9
183.11595	1.1
185.13275	6.2
187.11339	0.9
187.14824	2.5
189.12758	4.8
191.14336	1.5
193.15866	100.0
194.16235	4.0
197.13196	2.3
199.14835	5.2
201.12733	1.0
201.16292	0.8
203.14302	12.5
204.14981	2.6
205.15851	3.1
207.13647	0.9
211.14813	1.0
213.16316	1.6
215.14226	6.0
215.17926	2.9
217.15822	2.5
221.15346	32.7
222.15932	3.5
225.16290	1.3
227.14305	1.1
239.17889	0.9
241.15826	1.4
241.19511	1.6
255.21321	1.1
257.18954	9.4
259.16919	1.3
259.20462	2.1
265.19568	1.6
273.22116	1.7
275.20099	3.6
283.20544	8.7
301.21609	9.8
319.22662	5.7
319.30420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.03946	1.5
53.35749	1.4
55.01868	8.4
55.05511	7.0
57.03439	18.3
57.07066	6.1
58.96910	1.4
65.03958	1.6
67.05500	11.3
69.03423	2.7
69.07070	16.2
69.93928	2.8
69.94281	3.5
70.06582	7.8
73.06559	1.9
77.03912	2.5
79.05488	41.2
81.03403	3.8
81.07057	18.7
82.07404	1.6
83.01357	2.5
83.04967	7.5
83.08598	1.8
85.06544	1.6
88.07624	13.7
91.05474	7.1
93.07017	13.4
95.04390	1.4
95.04958	23.6
95.08608	14.0
97.06527	82.6
98.22775	2.0
98.48806	1.5
102.09177	5.3
103.09521	2.1
105.04516	2.5
105.07030	20.0
107.04934	12.9
107.08591	13.6
109.06529	4.3
109.10132	6.4
111.08093	2.1
117.07004	3.4
119.08591	15.7
121.10136	100.0
122.10475	2.7
123.08051	15.4
123.11695	7.2
125.05972	37.9
129.07011	4.0
131.08600	8.9
133.07603	2.0
133.10123	16.6
135.08034	2.1
135.11726	5.2
137.09607	1.4
137.13300	2.5
139.11115	1.6
142.07736	2.0
143.08551	6.2
145.10120	11.0
147.08034	1.8
147.11674	6.7
149.09595	2.9
151.11151	3.2
155.08508	3.5
156.09259	1.8
157.10144	8.3
159.11673	14.3
161.09604	2.8
161.13243	4.1
165.12741	3.3
169.10130	3.0
171.11629	7.6
173.13280	6.2
175.11137	2.0
175.14825	23.9
177.12735	2.4
183.11703	3.4
185.13223	6.0
187.11238	2.6
187.14818	6.5
189.12758	3.0
189.16284	1.7
193.15865	27.4
196.12560	1.8
197.13271	4.0
199.14867	4.6
201.16393	13.3
203.14281	3.6
211.14745	8.0
213.12750	1.6
213.16368	3.6
215.14383	1.8
221.15335	3.7
223.14783	3.3
225.16415	2.1
227.14362	2.8
227.17996	3.6
229.15900	8.9
241.15961	3.9
245.18875	2.7
255.21046	6.0
256.26331	7.9
257.26657	21.6
264.82706	1.4
265.19446	6.9
273.22079	5.3
283.20477	10.0
301.21561	11.0
318.29965	10.8
319.22644	8.6
319.30350	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	319.2266
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
53.03926	1.7
55.01866	1.9
55.05502	10.3
57.03416	3.9
57.07065	2.4
60.01694	1.2
67.05502	16.2
69.03419	5.2
69.07067	20.2
69.29073	7.4
71.04963	4.2
79.05486	27.1
81.07049	100.0
82.07342	1.3
83.04974	2.8
83.08622	7.1
85.06055	1.6
85.06537	21.3
85.50870	1.3
86.89194	1.3
91.05453	9.9
93.07035	28.0
95.04961	6.4
95.08597	25.8
97.06513	10.5
97.10148	2.9
99.08091	13.2
105.07018	21.2
107.08581	26.6
109.06525	10.2
109.09516	1.9
109.10154	20.4
111.08096	8.0
113.09625	2.4
115.07572	1.5
117.07007	4.9
119.08566	42.0
121.06484	5.7
121.10116	25.2
123.08062	5.7
123.11697	7.4
125.09644	7.0
127.07518	1.8
129.06975	2.7
129.09105	4.0
131.08545	11.9
133.10115	26.8
135.08029	12.7
135.11665	12.6
137.09605	12.2
137.13309	1.5
139.11154	9.9
141.07027	1.4
141.08978	1.5
142.07721	2.9
143.08539	9.0
144.09297	2.2
145.06389	2.9
145.10104	22.8
147.08003	3.2
147.11664	15.6
149.09618	11.2
149.13226	5.5
151.11150	10.9
151.14847	3.2
155.08467	2.1
156.09314	3.6
157.10097	17.3
158.10858	4.0
159.08054	3.0
159.10393	1.8
159.11682	24.0
161.09653	6.2
161.13231	8.1
163.11189	14.5
163.14861	3.3
165.09003	2.5
165.12732	4.7
169.10083	2.8
170.10921	3.8
171.11649	16.5
173.09592	3.8
173.13264	19.6
175.11137	6.8
175.14818	19.1
176.11992	2.4
177.12730	12.9
177.16438	1.4
178.09956	1.3
179.10660	5.8
179.14175	1.6
183.10098	1.3
183.11665	4.1
184.12489	1.7
185.09543	1.4
185.13229	12.1
187.11143	4.8
187.14816	12.6
189.12732	8.4
189.16371	2.0
191.10672	5.5
191.14307	22.9
192.15068	1.9
193.12238	2.7
193.15842	8.6
195.11681	3.2
197.13223	6.1
198.10271	1.5
199.14813	14.6
200.11992	1.3
201.12788	6.3
201.16380	3.4
203.14299	17.6
204.15236	1.4
205.12210	20.7
205.15828	6.9
209.13196	3.7
211.14769	3.3
212.11990	1.9
213.12775	6.1
213.16345	5.3
215.14320	15.2
215.17946	1.8
217.15851	9.7
219.13770	7.7
219.17233	1.9
220.14552	14.9
221.15303	11.2
223.14752	2.4
225.16385	2.6
227.14355	4.3
227.17877	1.7
229.15819	3.2
229.19505	3.3
231.13814	3.4
231.17439	5.7
233.15303	8.2
239.17986	3.3
241.15904	3.8
241.19478	5.8
243.17360	3.1
245.15353	2.9
247.17061	2.3
247.20364	2.1
247.76637	1.7
249.14842	2.5
255.17427	2.3
255.21051	2.7
257.19012	5.6
259.16782	2.3
259.20587	10.5
265.19437	5.1
271.20499	7.0
273.22134	10.0
277.21640	3.1
283.20529	18.9
289.21552	16.9
291.23035	2.6
301.21600	65.3
302.21899	4.4
319.22638	73.4
320.22910	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	319.2267
Annotation	20-HEPE
Peak:m/z	Relative Intensity
53.03957	4.4
55.01878	21.4
55.05501	24.7
57.03421	3.1
67.05503	18.8
69.03424	4.7
69.07051	15.8
69.64136	8.6
69.82445	3.0
79.05496	33.0
81.07050	78.7
83.04989	5.3
83.08611	12.6
86.36756	3.3
91.05479	24.2
91.24655	2.7
93.07043	38.8
95.04993	4.0
95.08602	39.9
97.06519	6.5
98.22727	4.0
105.07034	56.1
107.04938	5.1
107.08585	38.8
109.06522	12.8
109.10146	22.6
111.08070	14.5
117.07034	11.1
119.06014	3.2
119.08574	49.5
121.06497	17.0
121.10123	23.4
123.08073	9.7
123.11719	5.1
125.09618	6.9
125.19281	2.8
128.06213	5.8
129.07008	10.0
131.08556	42.0
133.06476	3.5
133.10132	33.8
134.07285	22.3
135.08052	6.4
135.11694	11.8
137.09602	3.8
141.06969	6.5
142.07776	7.2
143.08553	28.8
144.09282	5.5
145.10106	38.4
147.08037	30.4
147.11670	43.8
149.09653	10.0
149.13249	7.5
155.08562	14.6
156.09343	6.6
157.10139	24.6
159.08025	11.6
159.11688	55.2
160.08871	4.3
161.09595	14.9
161.13266	41.5
163.11197	10.0
163.14806	4.3
169.10112	16.5
170.10970	5.3
171.08017	3.4
171.11717	24.2
173.09621	7.3
173.13235	42.4
175.11206	12.4
175.14822	16.3
177.12756	8.7
181.10109	8.2
182.10840	3.9
183.11710	17.1
185.09608	4.4
185.13226	21.9
187.11153	4.1
187.14836	16.8
189.11011	3.7
189.12727	76.1
189.16417	3.6
191.14313	11.5
197.13220	21.7
199.14851	16.6
201.12776	11.5
201.16484	10.7
203.14334	9.9
205.15901	9.0
207.13835	13.1
208.14539	7.5
209.13252	7.7
210.13942	3.0
211.14870	10.7
213.12865	4.9
213.16327	18.0
215.14246	18.6
215.17848	4.3
217.15665	3.5
219.13844	6.7
223.14755	6.8
225.16367	7.5
227.14392	4.0
227.17923	7.8
229.19537	13.4
241.19554	7.1
243.21069	18.2
253.19536	38.3
255.21080	8.2
259.17050	2.9
259.20508	7.0
265.19543	6.5
271.20554	100.0
272.20755	5.1
273.22128	14.0
283.20554	26.7
289.21606	65.6
301.21582	47.7
319.22653	81.8
320.23026	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	319.2267
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
50.54327	1.6
52.68202	1.5
53.03943	2.9
55.01863	2.8
55.05504	12.3
57.03422	5.3
57.07059	2.6
59.05003	2.1
65.03924	1.9
65.09685	1.6
67.05502	15.1
69.03415	5.4
69.07069	20.2
69.51701	7.7
71.04986	3.3
79.05042	2.7
79.05487	33.2
81.07050	100.0
83.04964	5.7
83.08618	2.6
85.06528	19.2
91.05473	11.4
93.07040	26.9
95.04947	6.8
95.08596	22.2
97.06538	12.4
98.23370	2.6
99.08083	9.8
105.07020	23.5
107.08582	31.6
109.06517	14.1
109.10148	22.2
110.43887	1.8
111.08061	6.3
113.09621	4.3
115.71145	1.7
117.07024	3.1
118.70842	1.5
119.08577	33.3
121.06458	3.9
121.10135	30.8
123.08052	7.1
123.11681	5.1
125.09597	6.1
127.07540	4.9
129.06995	4.2
131.08536	12.9
133.10115	27.4
135.08051	17.5
135.11674	14.9
137.09590	20.8
139.11166	21.8
142.07721	2.1
143.08543	8.1
144.09264	2.9
145.10127	25.2
147.07997	4.0
147.11646	12.9
149.09633	11.0
149.13150	3.6
151.11183	11.0
151.14847	4.4
155.08563	2.4
156.09450	2.7
157.10120	12.1
158.10896	3.0
159.11697	15.8
161.09599	6.5
161.13257	5.1
163.11160	27.9
163.14807	1.8
165.09093	3.4
165.12726	6.4
167.10648	3.6
169.10130	4.1
171.11635	8.3
173.09618	5.4
173.13245	16.2
175.11163	8.3
175.14810	25.4
176.11876	2.3
177.12683	5.0
177.63484	2.0
181.10225	2.5
182.10849	2.3
183.11650	3.5
184.28644	1.6
185.13255	7.9
186.10416	1.8
187.11180	5.2
187.14769	5.8
187.65938	1.9
189.12747	5.3
191.10626	4.0
191.14285	40.1
193.15883	19.7
197.13275	6.4
198.14114	1.9
199.14777	6.8
201.12640	8.4
201.16397	2.0
202.13353	2.1
203.14348	11.6
205.12245	29.8
205.15839	2.2
207.13753	2.0
209.13185	2.6
211.14830	6.0
213.12723	5.0
213.16373	4.6
215.14323	11.2
217.15862	6.3
219.13744	8.9
220.14572	19.6
221.15250	10.4
223.14838	4.5
223.81847	1.8
227.14355	7.5
229.15903	2.7
233.15318	11.3
239.17929	3.1
241.15863	3.5
241.19608	1.9
243.17484	2.8
245.18988	2.6
257.18927	4.3
259.20587	2.6
265.19437	4.5
271.20544	6.4
273.22147	4.4
275.19965	2.3
283.20523	16.0
286.57043	2.0
289.21634	20.3
301.21579	52.3
302.21893	3.5
319.22641	64.1
320.22766	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	319.2269
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03951	3.6
55.05514	22.3
57.07047	5.6
66.92303	3.6
67.05503	18.1
69.03423	10.6
69.07059	15.0
71.05000	4.7
79.05494	27.9
81.07053	74.4
83.04972	10.1
83.08598	12.6
91.05486	14.5
93.07037	31.9
94.07317	4.6
95.04971	11.6
95.08609	34.0
97.06532	4.6
105.07021	30.0
107.08581	29.7
109.06507	10.9
109.10155	18.9
111.08076	4.7
117.07040	6.6
119.08569	49.5
121.06507	14.1
121.10143	19.0
123.08065	19.9
125.05997	5.5
131.08557	16.9
133.10114	35.2
135.08038	10.7
135.11690	13.8
137.09567	6.0
142.07773	8.7
143.08548	14.4
145.10106	30.9
147.08038	9.5
147.10655	4.8
147.11617	19.1
149.09605	7.7
149.13260	4.6
155.08583	5.0
157.10149	19.3
159.08109	7.2
159.11679	25.0
161.09576	10.2
161.13249	9.4
171.11670	14.9
173.09671	7.8
173.13239	11.8
175.11185	11.6
175.14790	30.1
183.11649	8.8
185.13240	13.8
187.14838	9.2
189.12698	11.4
191.14325	7.0
199.14792	13.3
201.12761	13.8
203.14330	7.8
211.14917	4.3
213.12682	7.0
213.16386	6.1
215.14322	6.8
217.12263	6.2
219.13855	5.2
220.14546	5.7
221.15414	12.8
231.13638	5.8
233.15413	9.1
255.17404	5.3
261.18542	5.0
267.89273	4.1
271.20508	12.1
273.21951	20.6
276.07687	4.1
283.17169	6.7
283.20584	11.5
301.18027	16.3
301.21631	56.7
319.09753	9.7
319.19128	14.5
319.22647	100.0
320.22977	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	319.2266
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
55.05489	8.9
57.03430	24.5
67.05476	10.0
69.07063	19.0
69.74532	17.3
79.05496	38.0
81.03438	15.3
81.07039	25.0
81.09824	6.6
83.04984	97.9
91.05463	10.8
93.07040	12.4
95.04950	24.9
95.08603	17.6
97.06530	68.1
98.23438	10.2
105.07035	22.3
107.04985	10.3
107.08588	21.3
109.10168	11.2
115.71711	6.6
119.08585	14.1
121.10143	100.0
123.08051	8.8
123.11678	14.0
125.05994	32.5
131.08488	10.9
133.10110	19.9
143.08580	8.3
145.10075	11.6
147.08046	9.3
147.11667	14.1
157.10143	10.9
159.11716	19.0
169.10121	8.6
171.11617	16.0
175.14822	18.8
177.12593	8.7
177.16426	9.9
185.13112	10.3
193.15875	22.0
201.16389	15.8
211.14903	11.6
213.16376	11.7
229.15884	20.3
249.18494	17.2
265.19437	7.7
268.13272	11.3
283.20667	10.7
301.21677	20.3
319.07495	30.7
319.22626	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	319.2269
Annotation	Eoxin A4
Peak:m/z	Relative Intensity
55.01855	23.3
55.05260	6.8
55.05508	85.9
57.03429	10.0
57.07066	19.2
67.05501	50.9
69.03423	10.8
69.06768	6.2
69.07071	67.8
71.04977	6.2
79.05495	34.5
81.07053	68.3
83.04977	30.2
83.08617	87.3
87.78799	5.4
91.05473	35.2
93.07042	50.1
95.04966	42.9
95.08600	61.4
97.06524	32.5
97.10136	12.3
99.04446	10.1
105.07024	97.9
107.04977	7.4
107.08601	58.4
108.09058	5.6
109.06519	30.6
109.07146	5.5
109.10147	75.6
111.08041	12.5
111.11735	6.9
117.07026	16.5
119.08574	94.6
121.06516	43.4
121.10146	50.4
123.08029	27.3
123.11719	10.5
128.06194	7.8
129.07011	16.1
130.07784	10.5
131.08560	45.0
133.06436	14.3
133.10129	67.3
135.08066	50.1
135.11674	13.6
137.09615	14.2
137.13264	8.9
142.07724	8.4
143.08546	36.2
144.09328	7.2
145.06473	10.4
145.10112	74.6
146.07227	5.9
147.08028	31.8
147.11700	40.7
149.05977	8.6
149.09593	48.0
149.13235	6.0
151.11150	7.4
153.09108	8.0
155.08578	15.0
156.09349	11.8
157.10095	44.7
158.10895	15.0
159.08073	33.1
159.11682	75.8
160.08737	12.5
161.09612	83.9
161.13283	27.4
163.07481	9.7
163.11180	25.2
163.14781	10.8
169.10118	17.2
170.10841	9.9
171.11703	53.3
172.08887	9.3
173.09612	100.0
173.13237	86.1
175.11220	44.4
175.14818	22.4
177.09071	28.3
177.12764	21.3
179.10704	10.6
183.11687	15.3
185.13269	30.8
187.11172	41.2
187.14822	16.1
189.12741	76.5
189.16377	7.4
191.10635	8.6
191.14290	38.4
197.13266	11.2
199.11191	11.3
199.14825	18.3
201.12773	42.4
201.16379	10.5
203.14351	21.4
205.12265	23.1
207.13850	15.2
209.13257	5.4
213.12729	8.9
215.14319	16.0
215.17934	17.7
217.12218	24.9
217.15819	10.3
219.13937	11.6
225.16420	6.1
227.14288	16.5
229.15887	6.1
231.13821	13.0
231.17450	7.1
233.15485	6.8
241.19511	9.0
243.17400	29.5
245.15321	8.2
255.21075	16.6
259.20572	11.9
261.18475	11.2
271.20532	21.9
273.22079	15.4
283.20520	23.2
289.21680	18.8
301.21564	76.6
319.09613	5.8
319.19354	11.8
319.22708	80.3
320.22824	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	321.0766
Annotation	Spiropreussione A
Peak:m/z	Relative Intensity
53.43065	2.2
56.96540	3.4
57.07826	2.4
59.09522	2.6
66.71320	2.4
70.06595	2.6
84.08089	2.8
97.02862	2.7
98.97570	3.6
101.38726	2.3
102.05540	5.8
119.04912	3.3
125.74689	2.8
126.07590	2.5
133.01801	2.9
135.44585	3.0
136.07556	3.6
139.03902	4.9
145.02835	3.2
146.05983	29.1
147.04384	3.9
148.06021	6.9
150.97284	3.1
163.78215	2.6
168.98442	5.0
177.05441	5.8
194.99947	4.1
213.01070	5.2
217.04796	6.2
252.64772	2.8
263.06100	3.0
279.07379	7.2
321.07745	100.0
322.08112	5.9
337.22394	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	321.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33812	0.2
54.14882	0.2
63.40071	0.2
69.27663	0.2
74.78697	0.2
75.02689	0.5
77.00600	0.3
95.87007	0.2
98.22595	0.5
117.26466	0.2
120.97728	0.3
124.54069	0.2
133.01350	1.0
151.02403	22.8
152.02373	0.7
169.03464	100.0
170.03491	3.3
171.01344	0.8
171.03880	0.5
175.06035	1.0
176.93855	0.2
177.03932	0.9
177.05450	0.3
192.05066	0.9
193.07104	33.4
194.07150	1.8
195.05034	7.5
196.05063	0.5
198.48387	0.3
207.05016	0.3
221.06575	0.4
233.06610	2.9
279.07114	2.4
321.08032	0.5
321.11847	1.9
323.15842	0.2
334.48502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75324	0.5
58.89685	0.5
67.05483	0.5
69.07058	1.0
69.24545	3.0
78.35795	0.5
79.05489	0.6
81.03401	0.8
81.07091	0.5
86.09693	1.0
91.05461	2.4
93.07056	0.7
99.06983	0.5
109.02763	0.6
115.04770	0.6
115.05415	3.4
117.07011	4.3
118.00794	0.5
118.06530	56.4
119.07423	3.6
130.06564	0.6
131.08531	0.8
132.08005	0.7
134.09639	100.0
134.68553	0.5
135.09991	2.6
142.06508	4.9
143.07254	4.7
144.08075	23.3
145.02792	1.4
145.10126	0.6
146.05994	96.9
147.06348	3.3
147.36780	0.5
155.06030	0.7
160.07538	0.9
163.10939	0.5
170.05972	6.8
174.09117	1.0
176.06982	0.6
177.05502	1.5
188.07048	97.2
189.07417	3.8
192.10147	2.7
321.15900	8.9
322.16315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20921	0.5
63.37735	0.5
67.05499	0.5
68.03626	0.5
69.07059	1.0
69.34338	2.9
79.05506	1.3
80.04262	0.5
81.07030	1.9
84.05636	0.9
86.09702	5.4
91.05463	1.1
93.07047	1.4
98.23435	1.0
102.21811	0.6
105.06992	1.5
107.04976	0.5
107.08582	1.6
113.42410	0.5
117.06995	1.3
117.84588	0.5
119.08584	0.5
121.10135	0.7
123.11662	0.5
129.07021	0.6
131.08578	2.8
132.10194	2.2
133.10094	0.7
143.08554	0.7
145.10120	2.9
149.09595	2.0
149.46809	0.6
151.11095	0.6
173.09709	0.7
181.50375	0.5
191.10669	1.4
209.75041	0.5
257.04147	0.6
258.18661	0.9
276.19574	1.3
304.18988	1.1
321.16705	100.0
322.17044	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60223	0.6
63.47253	0.6
71.17405	1.5
79.05488	0.8
81.07061	1.0
85.83577	0.7
86.09701	100.0
87.10042	2.3
91.05474	1.3
93.07055	1.6
97.42121	0.7
103.05471	5.5
107.04946	1.6
120.08097	99.7
121.08434	2.0
128.10713	42.5
129.11133	1.3
131.04922	2.6
131.08530	0.8
149.05998	2.0
155.30251	0.7
156.10194	12.4
159.11827	0.6
161.09593	2.0
161.10927	0.7
166.08630	54.1
167.08948	1.5
187.07535	0.9
188.13611	0.6
199.32811	0.8
253.91589	0.7
275.09009	1.1
302.29800	0.6
303.22742	0.7
333.07486	0.8
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	19S-HETE
Peak:m/z	Relative Intensity
53.03942	3.6
55.01856	2.9
55.05513	28.4
57.03438	23.1
57.07053	9.1
58.02950	4.2
67.05508	27.6
68.07540	2.5
69.07070	31.3
70.93292	4.6
71.04987	4.8
71.08595	6.9
72.08946	3.0
79.05492	26.7
81.07059	84.4
83.04948	7.4
83.08596	12.1
85.06548	34.2
91.05476	15.1
93.07046	26.9
95.04960	15.8
95.08132	2.4
95.08607	30.1
96.08919	3.0
97.06528	13.6
97.10152	7.4
99.08061	8.1
105.07037	20.1
107.04929	4.6
107.08591	29.5
109.06533	28.7
109.10162	24.4
111.08057	5.3
117.06985	5.6
119.07862	2.5
119.08571	22.8
121.06447	7.1
121.09384	2.3
121.10114	14.9
123.08067	56.9
123.11675	4.2
125.09628	3.4
127.59384	2.4
131.08551	13.7
132.08856	2.4
133.10123	22.9
135.08037	14.8
135.11636	8.6
136.81677	2.3
137.09554	9.3
137.13214	3.9
139.11128	4.0
143.08502	2.6
145.10106	12.2
147.07977	4.9
147.11685	13.1
149.09602	26.6
149.13199	6.3
151.11099	6.1
157.10147	6.5
159.11655	14.1
160.65454	2.4
161.09590	5.8
161.13263	13.6
163.11110	5.2
163.14775	3.6
165.09087	2.9
165.11511	3.3
165.12758	42.3
166.13087	14.8
171.11613	2.9
173.09612	3.5
173.13182	10.0
175.11055	3.8
175.14761	4.9
177.12680	11.1
179.12863	4.7
179.14310	57.2
180.14700	3.3
183.11667	2.6
185.13159	3.9
187.14809	5.1
189.12766	2.7
189.16251	3.0
190.13478	2.6
191.14230	6.1
192.14626	3.8
193.15855	5.5
195.13649	2.7
198.14867	3.2
199.15001	3.5
201.16290	2.9
205.15878	29.8
219.17433	3.4
221.15317	15.0
223.16782	10.3
223.18716	3.3
229.19431	3.5
245.19008	13.0
265.17889	20.0
271.16833	3.4
275.23468	4.3
285.21988	5.7
289.18030	14.2
290.21747	7.9
293.24469	2.6
303.23117	28.5
321.20599	8.3
321.24066	100.0
322.24289	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	321.2424
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.73775	2.1
53.03936	3.7
55.05513	15.5
57.03435	2.4
57.07073	4.6
59.05007	5.6
67.05502	23.1
69.03426	15.6
69.07064	25.7
71.04991	3.5
74.72128	1.9
79.05490	29.9
81.07055	100.0
82.07398	2.7
83.04966	4.8
83.08631	7.0
85.06543	32.9
90.87065	1.8
91.05482	17.1
93.07043	44.7
95.04991	10.2
95.08600	51.8
97.06528	34.8
98.22669	7.7
99.08084	6.8
100.69396	1.9
105.04567	2.1
105.07027	37.5
107.08587	52.9
107.09254	4.0
109.06513	22.0
109.07157	2.6
109.10146	47.4
111.08102	10.5
113.09640	3.0
115.07566	12.5
119.08581	58.2
121.10144	54.4
123.08069	13.8
123.11707	33.7
125.09637	6.5
127.07529	13.6
131.08594	8.5
133.10123	72.2
134.10544	3.3
135.11687	45.6
135.12657	3.5
137.09608	19.7
137.13271	3.7
139.11174	30.4
143.08542	4.3
145.10118	17.5
147.11690	50.3
149.09589	3.5
149.13297	7.5
151.11171	45.4
151.14830	10.0
153.12761	11.1
157.10153	8.0
159.11646	17.9
161.09576	2.6
161.13257	16.9
163.11185	3.8
163.14868	4.0
165.12749	72.9
166.13063	3.5
169.12244	20.0
170.10870	2.7
171.11667	4.4
173.13286	7.0
175.14798	29.4
177.12762	4.7
177.16397	17.9
178.16811	2.3
179.14307	3.6
183.11702	3.7
185.13306	4.9
187.14822	3.5
189.12659	2.2
191.14384	4.6
193.15884	98.5
194.16177	2.7
199.14868	5.5
203.14322	9.2
205.15862	3.4
217.15842	12.0
219.17166	2.2
221.15358	26.8
227.18021	2.3
229.15771	4.3
241.19582	4.4
243.17552	3.4
259.20563	8.0
259.27246	4.1
267.21066	6.2
273.22134	14.6
277.21643	7.4
285.22110	16.8
291.23184	22.0
303.23172	34.8
304.10498	2.2
321.24042	10.6
321.30957	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	321.2421
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.03940	2.2
55.05504	5.1
57.03429	2.2
57.07070	0.7
65.03933	1.1
65.57091	0.5
66.04735	0.6
67.05505	6.3
69.03408	0.6
69.07062	8.1
69.83399	0.9
69.83723	1.1
71.08622	0.6
75.24140	0.5
79.05488	28.5
81.07050	100.0
82.07381	1.8
83.04962	1.3
83.08611	4.7
85.06537	7.9
91.05475	2.0
93.07045	5.3
95.04959	1.7
95.08604	7.0
97.06521	9.4
97.10101	0.8
99.08083	11.1
99.08728	0.9
105.07009	3.6
107.08594	7.0
107.84807	0.5
108.08876	0.7
109.06506	5.9
109.10134	4.4
111.08054	1.7
111.11647	0.5
113.09639	1.5
119.08578	4.6
121.10143	6.5
121.61978	0.5
123.08038	1.6
123.11697	13.3
124.66228	0.5
125.09620	4.3
127.07568	4.3
129.06992	0.6
131.08566	1.2
133.10153	3.5
135.08066	1.4
135.11681	3.3
137.09615	1.6
137.13263	0.8
139.11145	1.4
143.08545	0.9
145.10123	3.0
147.11667	3.3
149.09734	1.4
149.13254	2.2
151.11130	0.8
155.10759	0.8
157.10106	1.1
159.08107	0.9
159.11661	2.9
161.09589	1.6
161.13239	2.4
163.11185	1.1
163.14789	1.0
165.12732	1.6
165.26419	0.6
165.69136	0.5
169.12250	0.7
171.11555	1.0
173.09624	1.1
173.13252	1.7
175.11198	1.4
175.14821	2.1
177.12762	0.7
177.16400	4.4
179.14258	0.8
181.15945	0.6
187.11150	2.2
187.14842	2.4
189.12727	1.2
189.16423	2.0
191.14314	0.7
193.15901	2.4
195.17416	1.5
197.13217	1.0
199.13232	0.7
199.14842	0.9
201.12692	1.5
201.16339	1.1
203.14304	4.4
205.15860	4.1
207.13777	0.9
211.14751	1.0
215.14311	10.3
215.17763	1.1
217.15883	3.0
229.15868	1.8
231.17346	1.1
233.15350	10.0
235.16933	1.0
243.21107	0.7
247.16896	1.1
257.19028	0.9
257.22409	0.8
259.20575	0.7
267.21176	1.5
273.22168	2.3
275.23743	0.8
285.22128	8.7
291.23160	2.4
303.23172	24.6
304.23499	1.4
321.24207	54.6
322.24567	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
51.78751	0.9
53.03938	3.7
55.05506	7.6
57.03431	10.4
57.07073	3.2
60.41278	1.0
60.62929	1.0
65.03944	2.2
67.05495	9.6
69.03431	2.5
69.07056	15.0
70.56555	2.0
71.04979	1.8
71.08642	1.5
73.06541	1.3
77.03920	1.0
79.05485	33.0
81.07047	100.0
82.07385	1.9
83.04987	2.1
83.08595	5.8
83.24288	0.8
85.06541	11.5
88.07587	0.9
91.05476	5.7
93.07026	14.7
95.04957	3.8
95.08592	16.9
97.06517	13.4
97.10139	1.3
99.08080	9.5
105.03391	1.5
105.07011	14.0
107.08587	19.4
109.06514	11.5
109.10143	11.7
111.08099	2.9
113.09641	2.8
115.05450	1.0
117.07005	2.9
119.08566	22.7
121.06493	2.0
121.10128	47.5
123.08066	4.2
123.11690	19.0
125.09579	5.7
127.07529	1.9
128.06235	1.0
129.07028	1.7
131.08536	8.9
133.10114	15.5
133.11035	1.5
135.08034	20.2
135.11696	6.0
137.09637	4.9
137.13243	5.5
139.11169	9.3
142.07739	1.9
142.11482	0.9
143.08527	5.4
143.10661	1.9
145.10107	14.1
147.08073	1.7
147.11642	9.1
149.06010	1.9
149.09616	4.4
149.13263	2.0
151.07520	5.6
151.11134	5.8
153.09140	1.4
154.03592	0.9
155.08531	1.6
156.09337	2.8
157.10085	7.6
159.08051	2.2
159.11694	10.7
161.09607	10.1
161.13220	11.5
163.11156	3.3
163.14792	2.2
165.09164	1.8
165.12764	4.0
169.10117	2.7
170.10867	1.4
171.11626	8.6
172.12340	1.1
173.09653	1.3
173.13257	9.4
175.11200	4.3
175.14792	13.2
176.15277	1.2
177.12788	3.0
177.16348	6.1
179.10605	1.2
179.14240	1.7
181.26736	0.9
182.10861	1.0
183.10219	1.1
183.11613	4.5
185.13235	6.2
187.11224	2.8
187.14787	13.0
189.12785	4.6
189.16386	3.9
191.14227	1.8
191.17909	1.7
193.15851	15.2
197.13234	2.8
198.14001	1.3
199.14793	7.3
200.20088	3.0
201.12688	1.3
201.16371	6.8
203.14236	10.0
203.17941	1.4
204.15034	2.6
205.15849	31.1
206.16243	1.9
211.14771	2.6
213.16347	7.5
215.14301	3.6
215.17842	1.7
217.15875	13.2
218.16151	1.0
221.15363	1.9
222.16113	3.4
225.16360	3.4
227.17918	2.7
229.15848	2.5
229.19473	1.6
231.17374	11.2
241.19456	4.5
243.17415	2.8
243.21060	1.1
245.18964	2.3
247.20473	1.0
253.55354	0.9
255.21066	1.3
257.19064	1.0
257.22580	1.5
259.20596	4.7
267.21060	5.5
272.67563	1.0
273.22195	2.5
275.23657	2.4
277.21686	1.4
285.22089	15.0
286.22455	1.4
291.23209	4.3
303.23126	34.9
304.23502	3.3
321.16910	2.0
321.20386	1.9
321.24164	23.0
322.24225	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	321.2425
Annotation	20-HETE
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	0.4
55.05512	6.9
57.03435	1.9
57.07071	1.3
59.04975	0.4
64.04417	0.4
65.03925	1.0
66.04724	0.4
67.05503	6.5
69.03440	0.5
69.07068	8.2
71.04986	0.7
71.08628	0.9
77.03933	0.5
78.13267	0.4
79.05492	28.6
81.03374	0.4
81.07053	100.0
82.07382	1.9
83.04961	1.1
83.08617	9.1
85.06541	7.4
88.97010	0.4
89.06025	1.1
91.05481	2.3
91.39697	0.3
93.07041	5.9
95.04953	1.5
95.08602	8.0
97.06528	11.8
97.10155	1.1
99.08093	11.1
105.04488	0.5
105.07021	4.1
107.04980	0.4
107.07853	0.4
107.08590	7.5
109.06513	7.2
109.10149	5.4
111.08073	1.3
113.09638	1.3
115.07542	0.7
119.08570	4.6
121.06543	0.8
121.10139	6.1
122.10436	0.4
123.08083	2.7
123.11700	12.9
125.09618	4.0
127.07578	3.1
129.06985	0.5
131.08635	2.1
133.10107	4.9
135.08046	1.8
135.11679	3.9
137.09631	1.2
137.13234	1.2
138.02058	0.4
139.11206	1.2
143.08537	1.5
145.10120	3.4
147.08054	0.8
147.11674	4.5
149.09612	2.0
149.13202	1.9
151.11127	0.8
155.08476	0.6
157.10132	1.8
159.08020	0.5
159.11690	4.0
161.09619	1.4
161.13219	2.0
163.11116	1.0
163.14801	0.9
165.12744	1.0
169.10115	0.5
169.12318	0.6
170.10860	0.6
171.11711	2.0
172.08923	0.5
172.12332	0.5
173.09576	1.5
173.13229	2.8
174.10504	0.4
175.11255	2.4
175.14839	2.4
177.12691	0.9
177.16376	4.4
178.35252	0.4
179.14270	2.0
179.91011	0.5
181.12296	0.5
183.11656	0.6
185.13208	2.6
186.10413	1.4
187.11168	3.0
187.14828	3.4
189.12753	3.1
189.16316	2.1
191.14337	1.0
193.12254	0.4
193.15926	1.4
195.17413	1.1
197.13252	5.7
199.14848	1.4
200.11926	1.3
201.12694	1.1
201.16394	2.4
203.14294	8.6
203.17953	0.7
205.15895	3.7
207.13774	0.5
208.38947	0.4
211.14824	1.7
211.16811	0.8
213.16391	0.9
215.14310	17.4
215.17677	3.4
216.14590	0.6
217.15891	3.3
219.13898	0.5
219.17400	0.5
221.15366	0.8
225.16422	1.2
227.17896	0.5
227.30724	0.4
229.15863	2.9
229.19377	0.7
231.17491	0.9
233.15363	17.9
234.15710	0.9
239.17935	1.1
241.19524	3.0
243.17464	0.5
243.21075	1.4
247.16924	1.2
255.20886	0.7
257.19009	1.3
257.22760	0.9
259.20618	1.8
267.21097	4.0
273.22101	2.0
285.22122	15.1
286.22485	0.8
291.23099	1.4
303.23157	22.3
304.23535	1.2
321.24216	46.4
322.24554	2.9
327.45532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.85400	0.5
53.42713	0.5
55.01858	1.2
55.05260	0.7
55.05508	9.1
55.22260	0.5
57.03429	1.2
57.07063	1.8
67.05501	6.7
69.07067	8.9
69.65804	1.9
70.95173	0.5
71.04982	1.5
71.08623	0.9
75.42323	0.4
79.05478	5.2
81.07049	9.3
82.65340	0.5
83.04979	1.1
83.08620	4.0
85.06538	0.9
91.05471	1.7
93.07038	6.8
95.04961	1.5
95.08603	10.5
97.06511	1.9
97.10155	2.6
98.22752	1.0
99.08087	0.9
101.06026	0.5
105.07014	3.3
107.08599	5.5
107.36563	0.4
109.06519	13.6
109.10159	4.2
110.74206	0.4
111.08096	2.2
111.11728	0.4
117.07035	0.8
119.08572	3.9
120.02371	0.5
121.06495	1.3
121.10132	4.2
122.07289	1.7
123.08061	71.5
123.11688	1.9
124.08418	1.3
125.09573	0.7
130.58243	0.5
131.08540	1.7
133.10143	2.6
135.08038	7.6
135.11697	1.2
137.09618	4.1
137.13199	0.7
139.11192	1.8
145.10120	1.7
147.11685	1.5
149.09612	2.0
149.13193	0.7
151.11160	0.7
157.10098	0.6
159.11694	1.2
159.99577	0.5
161.13239	0.8
165.12752	0.8
167.14268	0.8
173.13275	1.1
175.11179	0.8
177.12756	0.8
179.14297	31.7
180.14636	1.6
185.13112	0.6
187.14812	1.3
191.14308	0.6
193.15967	0.6
203.12759	1.1
205.15787	0.7
221.97560	0.5
233.19028	0.6
247.16876	1.3
261.22134	1.0
265.17981	19.6
266.18317	0.9
275.23480	0.6
279.19492	1.0
303.23087	4.1
321.24216	100.0
322.24573	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01857	4.4
55.05508	17.6
55.85917	1.2
57.03438	1.6
57.07066	3.8
58.02936	1.3
67.05495	13.1
69.07072	11.7
70.04218	3.7
71.04946	1.6
71.08630	6.0
78.65514	1.3
79.05488	16.5
81.07053	17.1
83.04984	4.2
83.08614	6.8
85.06512	1.5
90.11909	1.1
91.05475	7.9
93.07040	12.8
95.04958	4.2
95.08593	15.4
97.06508	4.9
97.10175	9.4
99.08051	1.9
105.07016	9.2
107.04926	3.5
107.08588	15.5
109.06505	14.0
109.10139	7.6
111.08057	2.8
112.06411	1.1
117.07028	2.2
119.08588	6.1
121.10118	6.7
123.08064	59.1
123.11678	3.2
125.09625	8.9
131.08577	3.2
133.10110	7.0
135.08060	8.5
135.11711	1.9
137.09641	3.6
137.13234	1.4
139.11217	1.8
145.10120	2.7
147.11684	5.6
149.09613	11.8
149.13284	1.6
151.11127	1.6
153.09035	1.5
159.11751	1.4
161.13315	1.6
163.11255	1.2
165.12802	3.7
173.13239	1.8
175.14911	2.0
177.12711	1.9
179.14302	25.2
180.14595	2.1
187.11232	1.2
187.14694	1.3
193.15918	1.5
209.15303	1.7
217.14404	3.1
219.17439	3.5
224.20122	3.3
235.16901	1.2
265.17993	17.1
275.19992	10.1
291.23138	8.4
303.23215	3.4
321.24216	100.0
322.24390	4.4
322.27704	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	321.2424
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03943	4.1
54.66296	1.7
55.01872	2.3
55.05510	14.4
57.03428	4.0
57.07071	6.2
59.04992	7.7
62.76221	1.6
65.03914	2.2
67.05502	21.9
69.03419	14.5
69.07074	19.0
69.97045	4.7
71.04989	3.5
74.22616	2.0
79.05492	28.6
81.07056	100.0
81.96483	1.9
82.07357	2.1
83.04977	6.7
83.08624	3.5
85.06539	25.0
85.96598	1.9
91.05474	15.5
93.07040	35.2
95.04961	7.5
95.08607	41.8
97.06524	26.0
97.10190	4.2
98.06918	2.1
99.08101	7.2
105.07032	31.6
107.08592	47.9
109.06517	21.9
109.10154	38.9
111.08076	5.5
113.09621	2.0
115.07567	6.8
117.07045	2.8
119.08576	58.7
120.55773	2.1
121.10140	49.1
123.08062	10.6
123.11687	25.8
125.09647	6.1
127.07555	8.4
131.08531	10.7
133.10127	50.8
135.08049	5.1
135.11682	27.1
137.09602	13.9
137.13258	2.4
139.11191	29.6
142.07788	3.0
143.08521	2.7
143.10632	2.7
145.10118	19.5
147.11685	32.3
149.09636	2.8
149.13269	8.7
151.11174	38.3
151.14825	6.1
153.12737	7.3
157.10129	8.1
159.11696	28.5
161.09618	5.4
161.13263	17.2
163.11227	4.7
163.14803	4.6
165.12759	45.5
165.86710	2.2
169.10088	3.6
169.12236	20.1
171.11742	10.1
173.13251	14.7
175.11205	4.0
175.14845	21.2
177.12767	9.1
177.16415	12.7
179.10634	3.5
179.14313	7.8
185.13275	7.6
187.11172	3.0
187.14813	6.5
189.12695	9.0
189.16382	4.0
191.14311	5.7
193.15883	59.3
197.13254	3.4
199.14821	5.3
201.12659	3.9
201.16371	7.5
203.14297	10.8
204.15031	3.8
205.15889	12.7
207.13770	6.4
211.14806	3.2
213.16356	3.8
215.14328	2.2
215.17992	6.2
217.15891	10.3
221.15334	18.1
222.16135	18.0
223.16956	2.2
225.16420	3.3
229.15907	2.5
241.19492	4.7
243.17488	5.5
243.21072	3.8
259.20566	8.1
267.21133	5.5
273.22128	12.2
277.21631	8.0
282.09430	2.2
285.22095	20.9
291.23169	15.8
303.23154	56.9
321.16745	8.3
321.24213	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1437
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
50.01588	0.2
51.02385	0.6
53.03942	0.3
55.53946	0.2
55.77214	0.2
62.06081	0.4
66.60343	0.2
69.68021	0.7
77.03941	0.7
78.03451	1.8
91.05475	1.6
95.04961	2.5
96.04490	100.0
97.04813	1.0
105.04533	1.2
105.07035	2.2
107.04952	0.3
115.05452	0.7
119.04939	6.6
123.18542	0.2
128.06207	1.2
129.07001	7.5
130.07304	0.2
133.06497	2.4
134.06252	0.4
134.07272	7.1
136.07564	1.5
141.06967	1.6
153.06993	0.3
155.06001	0.3
157.06523	1.3
170.07330	0.3
171.08022	0.3
181.06488	0.3
181.10068	0.2
185.05974	12.5
186.06540	0.6
198.06686	0.2
199.07497	1.3
209.09526	0.4
216.69719	0.2
220.53168	0.2
227.10652	9.0
228.11066	0.5
259.03122	0.2
264.81409	0.2
322.14325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
55.05506	5.4
57.03433	4.7
57.39165	2.3
65.03943	2.5
67.05502	7.9
68.24960	2.3
69.03423	11.5
69.07069	5.2
69.47838	2.8
69.48123	12.0
71.01337	2.3
77.53921	2.1
79.05489	27.1
81.03412	2.5
81.07053	33.0
85.02899	7.8
91.05472	17.6
92.99806	2.2
93.07025	12.4
95.01350	14.0
95.04971	10.9
95.08617	2.9
95.65022	2.4
97.02903	3.1
97.06519	25.7
104.44047	2.3
105.07019	5.9
107.04973	7.7
107.08601	5.9
109.06525	15.4
109.10174	2.3
110.07010	2.6
111.04443	2.3
111.05563	2.3
111.17381	2.1
113.02348	4.6
117.03411	2.4
117.07005	6.8
119.04949	8.7
119.08552	10.9
121.02850	3.5
121.06516	6.6
121.10145	3.3
123.04399	4.1
125.02341	2.8
125.06003	4.9
126.01063	8.6
129.07048	2.9
135.04416	3.1
135.08069	5.5
137.06015	9.0
137.09618	2.5
139.03922	8.8
141.01836	5.3
143.07086	2.0
145.02858	2.8
145.06563	4.7
147.04427	11.7
147.08044	8.2
149.05956	6.8
151.03925	2.7
157.01097	9.3
163.07556	11.8
165.09094	24.5
167.07045	6.1
173.05984	2.7
175.07596	4.8
175.51823	2.2
177.05469	7.5
181.04839	2.2
181.08533	10.9
183.10196	8.4
191.07092	6.6
193.08598	24.0
195.06589	2.9
196.06235	2.2
197.04463	8.4
199.09688	3.4
209.06078	2.3
209.08131	8.0
211.07635	3.9
211.09612	22.9
212.10361	2.1
218.04504	2.4
225.07568	5.4
227.09123	6.6
237.07587	7.9
255.08629	100.0
256.08884	3.2
273.09698	13.9
276.09573	4.8
322.10675	2.7
322.14349	8.0
322.20859	3.3
323.11090	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	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
55.05505	5.8
57.03426	11.7
67.05489	4.8
69.03424	11.4
69.07061	5.8
69.08747	24.7
79.05473	31.1
80.98996	3.0
81.07051	49.4
81.41888	3.0
82.72620	2.9
85.02901	5.5
85.08408	3.0
90.07506	2.6
91.05462	15.5
93.07039	10.0
95.01312	12.7
95.04977	10.8
97.06519	21.5
98.23446	7.3
105.06994	5.6
107.04943	8.2
107.08558	5.0
109.06530	24.7
109.10175	3.1
111.04424	4.3
113.02381	4.2
117.07065	3.5
119.04930	5.5
119.08598	9.4
121.79159	2.9
123.04427	3.1
125.05995	5.5
127.89666	2.8
129.06969	4.6
131.08560	5.8
135.08009	4.6
137.05988	8.2
139.03912	11.7
139.07576	3.9
141.01851	6.4
143.07007	4.1
145.02852	8.8
145.06477	3.2
147.08037	11.8
149.05975	5.9
155.07047	6.5
163.07516	11.3
165.09076	25.5
173.05960	4.0
175.07524	6.6
177.05479	13.4
181.08540	8.8
183.10161	6.2
185.42458	3.7
191.07071	5.1
193.08592	23.5
197.04349	5.2
199.09656	20.0
203.79694	3.2
209.08022	15.0
211.09625	15.2
227.09181	8.4
234.93947	3.0
237.07614	6.2
255.08607	100.0
256.08975	4.8
269.10083	4.7
273.09531	4.6
322.14160	4.4
322.21219	6.0
323.10977	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	322.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.9
59.04994	0.9
62.93904	0.3
63.08650	0.3
72.02621	0.3
83.08615	0.4
84.05623	100.0
85.05952	0.8
96.59236	0.3
102.90461	0.3
110.09155	0.3
115.05471	0.3
116.06219	0.8
125.01539	3.7
151.03133	1.4
298.18277	0.4
322.16782	30.9
323.17047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05498	2.8
57.03429	1.3
65.03931	1.0
67.05488	2.8
69.03412	1.4
69.07057	11.6
69.61708	2.5
71.04992	1.3
79.05488	8.0
80.13963	0.6
81.03380	0.6
81.07057	3.5
83.04975	2.9
83.05455	0.6
83.08662	0.7
84.08105	0.8
85.06590	0.7
86.09696	100.0
87.10056	1.2
91.05475	14.7
93.07037	10.2
95.04952	4.4
95.08632	1.8
97.06477	0.8
103.05476	1.5
105.07016	20.6
107.04967	3.5
107.08581	10.8
108.67599	0.7
109.06505	2.2
115.05447	1.2
116.06232	2.0
117.03366	0.9
117.07007	18.6
119.08570	6.2
120.08878	1.0
121.06486	3.9
121.10149	4.7
123.08051	1.1
126.01084	1.2
128.06181	1.4
128.10677	3.3
129.07002	5.5
130.07784	5.9
131.08551	45.9
132.09137	1.1
132.10184	31.5
133.10272	0.7
135.08058	3.2
135.11694	1.3
137.05940	0.8
143.08543	2.6
145.02832	3.3
145.06490	1.7
145.10109	40.6
146.10492	1.9
147.08009	4.5
147.11684	7.5
149.05934	1.0
149.09596	28.9
150.09891	0.9
153.05492	0.8
155.08531	0.8
157.10016	0.8
159.31094	0.6
163.11159	8.8
165.12726	1.1
173.09599	9.6
174.13640	0.9
177.05440	4.9
186.13707	0.9
190.12212	0.7
191.10651	17.8
199.14932	0.7
206.15428	2.7
208.13318	2.0
220.13383	1.5
225.30556	0.6
252.15868	0.9
258.18481	14.1
276.16495	1.3
276.19550	24.4
277.19916	1.1
304.19067	9.4
304.22711	1.0
322.20319	11.3
322.24619	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05503	3.6
57.03433	1.6
67.05497	4.3
69.03416	2.0
69.07064	10.9
70.18185	1.5
70.18510	1.5
71.04968	1.1
72.08179	0.9
74.02437	1.7
79.05497	7.6
81.07037	3.7
83.04967	4.3
85.42509	1.0
86.09699	100.0
87.10034	1.4
91.04945	1.3
91.05476	15.5
93.07036	11.1
94.43673	1.1
95.04965	4.9
95.08617	1.3
98.22806	1.3
103.05481	1.1
105.07017	20.8
107.04948	4.0
107.08590	12.9
109.06495	3.3
112.11245	1.2
115.05452	2.7
116.06246	1.7
117.03395	1.1
117.07017	17.7
119.08546	7.3
121.06494	3.3
121.10175	5.2
126.01092	1.1
128.06235	2.1
128.10709	3.0
129.06996	5.9
130.07793	6.6
131.08560	45.8
132.09183	2.0
132.10191	30.5
132.69086	1.1
135.08040	3.6
135.11714	1.2
143.08575	1.5
144.05753	0.9
145.02831	4.5
145.06461	1.2
145.08978	2.3
145.10115	43.4
146.10448	1.5
147.08055	4.7
147.11679	6.6
149.05995	1.6
149.09610	30.0
155.08510	1.1
159.11606	1.0
163.11171	9.5
173.09627	8.8
177.05446	4.3
191.10655	18.8
206.15440	3.6
208.13359	2.0
258.18552	12.2
259.18915	1.1
276.19583	28.3
277.19791	1.1
290.12521	1.3
298.55573	1.1
304.19043	7.0
322.14328	1.2
322.20416	10.7
322.24335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05509	3.8
57.07074	0.8
60.04532	1.1
62.06088	100.0
63.06440	0.4
67.05501	15.6
67.83826	0.3
69.07066	3.7
69.27414	0.4
69.32333	2.1
69.84150	0.4
70.02950	0.5
71.08633	0.4
79.05492	9.8
81.07055	16.9
83.08625	2.2
85.06569	0.5
88.03998	0.6
91.05486	3.8
93.07043	12.3
93.07601	0.7
95.04990	1.4
95.08603	11.9
97.06551	1.1
97.10184	1.0
98.06046	0.7
105.07034	2.5
107.08594	7.3
109.06591	0.4
109.10152	4.8
117.07044	1.1
119.08563	2.4
121.10155	5.5
123.08143	0.6
123.11702	2.6
130.08684	0.6
131.08559	2.5
133.10143	1.8
135.11664	3.8
137.13297	1.2
144.10260	0.6
145.10175	1.5
147.11681	0.8
149.13264	2.4
158.11848	0.5
159.11758	1.0
161.13277	1.5
163.14905	1.2
173.13306	1.1
174.72189	0.4
177.16423	1.1
186.14893	0.9
187.14851	0.8
200.16458	1.1
214.18034	0.7
233.22707	0.4
240.19788	0.6
243.21072	2.3
261.22186	3.7
291.19626	1.7
304.26389	2.1
305.21323	0.6
305.24838	2.0
305.50229	0.4
322.27399	12.5
323.27856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09622	0.8
57.42949	0.7
67.27905	0.8
69.76055	2.9
71.96407	0.9
79.05475	2.3
79.36372	0.7
81.07023	2.2
91.05473	2.3
93.07029	6.8
95.04956	1.1
95.08564	1.5
97.06529	1.2
105.06996	1.2
109.06584	0.8
111.00546	1.1
111.05535	1.4
118.14743	0.8
119.08540	0.9
121.10143	2.4
123.08103	1.1
138.99937	1.1
145.02861	1.3
157.01083	21.4
163.60175	0.9
166.09395	1.3
177.05421	2.1
189.08888	4.4
203.08699	0.9
207.09911	23.3
248.08113	1.2
256.08966	2.0
260.16608	1.6
263.10629	0.9
291.10214	2.1
303.71136	0.9
305.09930	25.0
306.10367	1.1
323.10974	100.0
323.19220	2.1
324.11349	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	323.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82074	0.5
69.35709	0.9
69.36099	2.6
70.06548	0.6
77.70145	0.5
85.02908	0.5
98.06036	0.8
115.05368	0.6
121.06499	3.6
126.01034	0.7
127.58052	0.5
138.09125	0.7
145.02855	0.6
150.09076	0.8
161.02141	1.0
161.07121	1.8
185.04179	2.0
230.56232	0.5
250.10764	0.6
323.10971	100.0
324.11292	5.5
336.69894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.05534	0.8
65.63280	0.8
79.05474	2.2
81.07040	2.4
84.48654	0.8
88.83793	0.7
91.05460	1.9
93.07047	5.8
95.08621	0.8
97.06478	0.9
105.07004	0.9
107.08586	0.9
111.00642	1.0
121.10148	3.5
123.08009	1.0
124.65784	0.8
131.08588	0.8
138.99983	0.8
154.02884	0.8
157.01086	22.8
171.07840	0.9
174.72185	0.9
189.08839	5.0
194.08989	1.1
196.06720	0.8
207.09903	24.9
208.10287	1.1
236.12152	0.9
256.08969	2.0
276.43900	0.9
299.36920	0.9
305.09946	26.7
306.10141	1.1
323.10986	100.0
324.11301	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	323.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.04832	0.4
55.01858	0.6
55.05501	1.3
57.03450	0.5
63.02343	0.4
69.03438	3.6
69.27695	1.9
71.01357	1.0
71.04986	0.9
78.04717	0.5
83.04976	5.2
85.02912	2.7
89.03908	8.0
91.05511	1.1
99.04453	1.2
103.05495	0.5
106.04175	0.6
111.04415	2.6
117.03371	26.2
127.03879	1.2
129.05467	0.6
131.04933	1.1
134.03622	1.9
135.04427	1.2
137.06007	3.0
145.02840	57.3
146.03185	1.9
149.05960	8.1
149.62114	0.4
161.05928	0.6
163.03929	0.8
163.07599	0.7
169.03416	2.0
175.07591	1.2
177.05461	100.0
178.05765	3.1
179.07100	2.6
186.05447	1.0
187.07614	0.5
191.07019	1.2
195.03474	0.4
195.05032	1.3
195.06587	0.9
203.07060	1.0
205.04965	1.3
217.08487	1.0
219.06583	0.6
229.05203	0.5
231.06531	1.3
233.08080	0.6
245.08018	0.7
287.09100	1.6
305.10129	1.5
323.11343	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	323.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05510	1.3
63.00055	0.5
68.23367	0.6
69.03422	3.7
71.01349	0.7
71.04988	1.1
81.03432	0.7
83.04985	6.0
85.02886	1.6
85.25020	0.6
88.90743	0.7
89.03913	9.6
91.05475	0.8
95.04996	1.0
99.04459	1.1
100.14979	0.6
103.05447	1.1
105.07017	0.7
106.04161	0.7
111.04440	2.8
117.03376	31.1
121.06458	0.7
121.42636	0.7
127.03896	1.4
131.04910	1.6
134.03630	1.9
135.04376	1.6
137.05966	3.4
145.02843	57.3
146.03113	1.3
149.05986	11.1
161.05984	1.0
162.03133	0.6
175.07516	1.4
177.05463	100.0
178.05812	2.6
179.06993	2.3
186.05431	0.6
191.07037	1.4
195.06517	1.1
199.07733	0.8
205.04994	1.6
219.06554	0.7
220.08656	0.8
231.06424	1.4
233.05856	0.6
245.08043	0.8
247.06122	0.6
248.08372	1.0
261.07227	0.9
287.09088	2.7
291.09921	1.2
305.10199	2.3
308.07065	0.7
323.11282	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	323.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05518	1.2
55.12445	0.5
57.03434	0.6
63.02383	0.4
69.03420	4.9
71.01357	1.0
71.04974	0.7
81.07037	0.5
83.04965	5.4
85.02892	2.1
89.03905	8.5
91.05448	0.6
98.22707	1.1
99.04440	1.2
103.05466	1.1
106.04140	0.6
111.04424	2.7
112.16825	0.4
117.03365	28.2
118.03653	0.9
121.06430	0.5
127.03886	0.9
128.06287	0.5
131.04915	1.0
131.07191	0.4
134.03606	2.4
135.04390	1.7
137.05962	3.6
141.67239	0.4
143.04904	0.5
145.02831	64.8
146.03142	2.2
147.04395	0.7
149.05948	9.7
158.73050	0.4
161.05991	0.6
163.03847	1.2
163.07550	0.8
171.04343	0.5
175.07562	1.2
177.05447	100.0
178.05795	3.0
179.07137	3.0
186.05505	0.6
189.09050	0.7
191.07028	1.3
195.06429	0.5
203.06976	1.2
205.04971	1.4
217.08586	0.6
227.07140	0.5
231.06473	1.3
236.99431	0.4
245.07928	0.5
248.08299	0.9
259.09698	0.8
276.07565	0.6
287.09055	2.6
291.10086	1.6
293.07932	0.9
305.10031	1.5
323.11111	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
55.05518	7.0
57.03422	6.7
59.05001	3.1
65.03926	1.3
67.05499	24.0
67.05828	0.8
67.44956	1.2
69.07062	24.6
69.62737	5.5
71.04992	7.0
73.06549	8.3
79.05481	14.3
81.03404	1.6
81.07050	16.8
83.04980	2.8
83.08613	2.7
85.06541	6.0
86.09688	19.0
91.05470	16.8
93.07034	20.0
95.04971	8.1
95.08601	12.4
97.06516	3.6
97.51575	1.3
99.08085	100.0
100.08397	1.7
105.07023	13.9
107.04969	3.2
107.08575	11.5
109.06511	19.6
109.10180	3.1
111.08097	2.6
113.05959	4.1
113.46906	1.3
117.06995	4.5
119.08555	10.0
121.06501	3.6
121.10155	8.3
123.08042	5.1
125.09588	2.0
127.07533	4.1
129.06981	4.5
131.08543	8.4
132.10214	5.1
133.06441	2.7
133.10124	11.2
135.08046	10.0
135.11696	3.2
137.09610	1.8
141.09082	3.6
143.08562	3.5
145.10153	8.6
147.08029	3.5
147.11699	5.0
149.09593	7.4
151.11163	12.7
153.09004	1.6
157.10092	3.9
159.10214	1.6
159.11684	4.2
159.94572	1.5
161.09586	7.4
161.13223	1.9
163.11142	4.0
165.12691	1.3
171.11720	2.9
173.09482	1.4
173.13330	1.3
175.11185	3.9
189.03241	1.3
193.12267	1.3
195.11630	1.9
199.14822	2.2
217.15794	6.4
237.16396	1.8
245.18935	1.8
249.18492	1.8
255.17409	4.8
260.20108	1.9
263.19867	2.3
273.18454	20.2
274.18768	1.7
276.22964	1.5
278.21097	5.4
291.19495	12.7
292.19797	1.9
305.20999	8.8
306.21265	2.0
323.21869	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
55.05503	6.0
55.24475	1.3
57.03436	28.9
57.07074	2.2
62.06068	2.0
67.05510	23.7
67.07413	1.5
69.07063	4.5
69.77335	3.6
70.06598	5.1
71.04990	5.4
79.05493	16.2
81.07053	16.3
83.04970	5.8
83.08627	2.8
85.06542	27.5
86.85656	1.4
91.05466	10.8
93.07034	12.4
95.04973	34.1
95.08611	7.6
97.06528	1.7
97.10163	2.7
98.97579	2.7
104.72678	1.5
105.07027	6.0
107.04938	3.4
107.08606	10.8
109.06518	28.7
109.10153	2.2
110.06892	1.6
111.04464	3.9
111.08087	1.5
113.06001	100.0
114.06428	1.6
116.98592	2.7
117.07033	7.3
119.08600	5.8
121.06487	2.3
121.10138	4.7
123.08047	2.8
123.23554	1.4
129.07018	1.8
131.08565	7.8
133.06441	1.5
133.10126	5.6
134.43808	1.4
135.08054	25.9
135.11708	2.6
143.08549	3.2
145.10112	4.7
147.08057	2.8
149.09628	3.8
149.13235	3.2
157.10121	4.2
159.08066	1.9
159.11732	2.9
161.09628	4.2
163.11197	3.3
165.12689	1.4
171.11685	1.8
173.13283	1.9
175.11179	1.9
183.11531	1.9
191.10748	2.0
198.98763	2.3
199.14917	1.9
217.15860	8.0
222.94353	1.6
255.37625	1.7
273.18427	13.3
277.00784	3.1
291.19568	35.6
292.19904	2.1
305.21204	2.6
323.25650	2.1
324.12271	2.0
324.28610	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.6
55.05509	45.8
57.03436	7.6
67.05501	68.8
69.03435	9.7
69.07067	39.0
70.06589	7.9
71.04990	8.8
79.05495	58.2
81.03441	4.9
81.07056	100.0
83.01324	3.9
83.04978	38.3
83.08618	19.1
85.06520	10.3
89.79594	3.7
91.05482	53.9
91.55298	3.7
93.07037	74.2
95.04974	24.2
95.08605	53.3
97.06524	15.9
97.10178	9.6
105.07027	56.2
107.04959	14.1
107.08589	52.3
109.06518	15.9
109.10163	40.1
111.04478	5.0
111.08075	16.7
117.07033	10.8
119.08604	21.9
121.06512	19.2
121.10166	23.6
123.08064	13.4
123.11721	8.7
125.09605	5.4
127.07568	5.5
129.06953	8.0
131.08559	21.0
133.06493	14.3
133.10118	77.6
135.08063	11.5
135.11674	9.6
137.05942	6.1
137.09624	7.0
139.07556	13.2
143.08592	12.0
145.10114	15.7
147.08049	10.7
147.11681	14.4
149.09586	13.3
151.11177	66.9
152.11594	4.0
153.12775	4.5
157.10120	6.1
159.11667	5.3
161.09599	19.2
161.13284	5.1
163.11145	5.5
165.12735	5.2
171.11671	8.5
175.11197	8.1
177.09059	4.9
179.10681	12.6
183.13760	20.9
189.12770	9.5
199.11275	7.8
203.14258	5.4
217.12273	5.6
245.19054	16.9
255.17433	5.3
263.20013	24.0
273.18466	47.3
291.19522	94.0
292.19910	4.9
305.21167	9.8
323.22131	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01861	13.8
55.05508	42.5
57.03426	7.5
57.07050	5.4
58.99096	3.3
59.03993	2.9
65.03938	2.7
67.05164	5.7
67.05502	90.0
69.03410	8.0
69.07063	33.7
69.61992	10.6
69.62360	4.5
71.04967	6.7
71.08609	7.7
74.51348	2.5
79.05487	61.0
81.03405	5.8
81.07052	100.0
83.01340	5.2
83.04977	40.3
83.08600	15.6
85.02885	2.7
85.06534	8.2
91.05476	51.3
93.07040	61.5
95.04962	22.4
95.08600	50.9
97.06516	11.1
97.10176	4.0
98.23428	5.4
99.04475	3.8
99.08064	6.0
105.07025	58.1
107.04949	13.3
107.08586	46.9
109.06496	14.0
109.10156	46.2
111.04443	7.9
111.08075	8.1
117.07013	11.8
119.08582	21.1
121.06497	17.7
121.10137	18.9
123.04441	3.5
123.08070	7.6
123.11683	15.2
125.09647	5.6
129.06996	8.7
131.08566	19.2
133.06470	14.9
133.09180	5.6
133.10118	73.8
135.08017	9.0
135.11661	15.3
137.06020	4.2
137.09647	6.4
139.07536	8.0
143.08557	10.0
145.10085	9.8
147.08032	12.8
147.11708	11.5
149.09627	11.5
149.13313	4.5
151.10040	4.8
151.11185	68.6
157.10150	5.8
159.08064	3.3
159.11703	8.5
159.46565	2.6
161.09637	15.4
161.49979	2.8
163.11128	3.9
165.09012	3.0
165.12724	5.6
171.11743	8.1
171.61575	2.6
175.11153	6.9
177.09103	9.6
179.10652	7.7
183.13812	19.4
189.12741	5.0
201.30133	3.2
207.13783	5.0
217.12306	4.3
227.17966	2.9
245.18904	14.7
255.17392	4.6
263.19937	15.2
273.18457	31.1
291.19537	62.6
292.19626	4.2
305.21030	15.0
305.24533	5.8
323.16010	3.7
323.22079	33.7
323.25778	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.0
53.76484	3.0
55.01862	12.0
55.05507	56.2
57.03422	7.6
57.07070	41.4
59.04976	3.1
67.05499	91.0
67.18909	3.1
67.70131	3.0
69.03416	6.1
69.07055	21.5
71.04984	4.4
71.08622	5.9
79.05049	4.2
79.05488	58.6
81.03410	44.1
81.07047	98.8
83.04965	12.1
83.08618	32.9
91.05463	25.0
93.07037	55.3
95.04969	29.7
95.08591	44.7
97.06512	10.2
97.10161	32.0
97.71375	3.6
98.23463	13.4
105.07026	25.7
107.04933	4.1
107.08592	42.3
109.06500	11.3
109.10172	27.1
111.08094	7.8
117.07004	7.4
119.08539	18.1
121.10119	20.5
123.11681	20.8
125.09611	44.5
131.08569	5.8
133.10126	11.9
135.08003	10.8
135.11700	11.4
137.09735	4.4
143.08501	6.4
145.10147	4.8
147.11664	15.8
149.13214	16.8
153.09090	9.5
157.10062	4.9
157.12192	3.5
159.11682	3.8
161.13243	10.7
163.14810	8.0
165.12769	18.9
167.31479	3.2
169.12244	5.3
171.10211	4.1
171.11583	3.3
173.13249	5.7
175.14835	8.3
179.14302	13.4
185.13248	7.5
193.12253	7.5
203.12802	22.1
207.13794	8.9
224.04813	3.7
245.22742	4.6
255.20987	5.3
273.22025	12.3
291.23157	100.0
292.23444	5.7
300.06204	12.3
323.19571	40.3
323.25705	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	323.2582
Annotation	9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol
Peak:m/z	Relative Intensity
53.03931	2.3
55.05508	15.7
57.07074	7.7
65.03922	2.1
67.05495	16.6
67.50520	1.7
69.03427	22.4
69.07063	27.1
69.07404	2.7
69.76375	6.2
70.06593	5.5
71.04984	4.4
77.03927	2.1
77.37798	1.8
79.05491	23.3
81.07057	78.7
83.04990	2.5
83.08620	6.7
85.06535	19.2
91.05476	16.1
93.07044	61.4
95.04987	9.2
95.08600	38.0
97.06549	11.6
97.10170	4.6
98.23386	3.4
98.97587	5.2
99.08100	9.0
105.07030	19.7
107.08591	81.5
109.06508	19.4
109.10159	29.6
111.08069	10.9
113.09711	2.0
116.98568	1.9
117.07028	3.0
119.08564	15.3
121.10142	69.1
123.08078	5.5
123.11717	23.0
123.97849	1.7
125.09628	6.0
129.09090	4.0
131.08577	5.9
133.10129	58.4
134.10469	2.6
135.11699	12.4
137.09636	8.5
137.13271	3.4
139.11172	35.6
143.08594	4.6
145.10136	8.0
147.11667	8.9
149.09531	2.2
149.13258	100.0
150.13585	2.5
151.11171	46.9
157.10133	3.7
158.10922	2.2
159.11691	14.2
161.13367	4.1
163.11263	4.0
163.14851	2.1
165.12741	2.5
167.10678	2.7
169.12236	75.0
170.92108	1.8
171.11592	2.1
173.13286	10.6
175.14914	4.6
177.16403	8.5
179.14227	3.1
185.13229	2.9
187.14752	9.9
189.16359	3.1
199.14793	5.1
201.16397	11.3
219.17508	4.2
227.18028	2.1
241.19510	2.2
243.21149	5.2
257.22659	2.8
258.99921	2.2
269.22543	4.3
269.66095	1.9
272.85529	1.8
275.23560	4.1
280.84277	2.0
287.23657	16.0
293.24719	2.6
305.24792	17.4
323.18564	2.5
323.22208	4.5
323.25833	12.2
324.22562	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	323.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05508	15.7
57.07074	7.7
65.03922	2.1
67.05495	16.6
67.50520	1.7
69.03427	22.4
69.07063	27.1
69.07404	2.7
69.76375	6.2
70.06593	5.5
71.04984	4.4
77.03927	2.1
77.37798	1.8
79.05491	23.3
81.07057	78.7
83.04990	2.5
83.08620	6.7
85.06535	19.2
91.05476	16.1
93.07044	61.4
95.04987	9.2
95.08600	38.0
97.06549	11.6
97.10170	4.6
98.23386	3.4
98.97587	5.2
99.08100	9.0
105.07030	19.7
107.08591	81.5
109.06508	19.4
109.10159	29.6
111.08069	10.9
113.09711	2.0
116.98568	1.9
117.07028	3.0
119.08564	15.3
121.10142	69.1
123.08078	5.5
123.11717	23.0
123.97849	1.7
125.09628	6.0
129.09090	4.0
131.08577	5.9
133.10129	58.4
134.10469	2.6
135.11699	12.4
137.09636	8.5
137.13271	3.4
139.11172	35.6
143.08594	4.6
145.10136	8.0
147.11667	8.9
149.09531	2.2
149.13258	100.0
150.13585	2.5
151.11171	46.9
157.10133	3.7
158.10922	2.2
159.11691	14.2
161.13367	4.1
163.11263	4.0
163.14851	2.1
165.12741	2.5
167.10678	2.7
169.12236	75.0
170.92108	1.8
171.11592	2.1
173.13286	10.6
175.14914	4.6
177.16403	8.5
179.14227	3.1
185.13229	2.9
187.14752	9.9
189.16359	3.1
199.14793	5.1
201.16397	11.3
219.17508	4.2
227.18028	2.1
241.19510	2.2
243.21149	5.2
257.22659	2.8
258.99921	2.2
269.22543	4.3
269.66095	1.9
272.85529	1.8
275.23560	4.1
280.84277	2.0
287.23657	16.0
293.24719	2.6
305.24792	17.4
323.18564	2.5
323.22208	4.5
323.25833	12.2
324.22562	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	324.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.29328	0.7
57.95692	0.7
60.02082	0.7
61.02920	1.1
63.02373	1.0
67.05492	0.9
68.30610	0.8
68.52811	0.7
69.03413	2.6
69.07058	1.6
70.06583	5.4
71.57502	0.7
72.04514	0.9
73.95186	0.8
83.06081	1.3
84.04536	0.9
85.02899	9.6
89.03909	10.0
90.81418	0.7
91.05482	1.8
93.07014	1.1
95.04964	1.2
95.06087	9.7
97.02888	2.9
97.06477	0.9
97.48351	0.6
98.06040	0.7
101.29529	0.7
105.01941	0.8
105.06955	0.9
107.04948	0.9
109.02890	0.9
112.07608	1.7
112.08681	1.0
113.07084	1.0
117.03374	28.7
127.03880	2.4
128.07040	1.7
130.04982	1.4
134.03656	1.9
135.04411	4.6
145.02840	64.1
145.04895	2.3
146.03185	1.8
149.05972	9.8
150.12709	0.8
152.14310	2.2
163.03888	16.4
168.44537	0.8
173.18127	0.9
177.05457	100.0
178.05771	3.0
179.03395	2.5
181.04901	1.4
183.11310	1.6
191.08046	0.8
194.15396	1.5
195.11249	1.5
218.09320	1.3
277.19055	1.6
281.18591	1.0
295.19925	1.0
307.19949	1.1
324.10486	46.0
324.18738	2.0
324.22717	10.5
325.10611	1.5
325.21088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.05499	0.4
56.05031	1.9
57.03429	0.5
58.73833	0.2
59.45830	0.3
62.06086	6.4
69.03421	1.6
69.76575	0.6
70.06595	2.2
71.04987	0.9
72.08144	4.5
73.05274	0.4
74.06066	1.1
80.05015	1.0
81.03406	0.7
81.07092	0.3
82.06576	5.3
83.05002	0.3
85.02881	1.2
89.03912	1.0
91.05447	0.5
93.88444	0.3
97.02866	3.4
99.04439	0.9
100.07610	12.7
105.06973	0.3
107.04921	0.4
117.03358	1.6
117.07010	0.5
118.08643	100.0
119.09047	1.4
127.03892	0.4
128.06197	0.6
129.06947	0.3
135.04396	2.7
135.08038	0.7
145.02834	2.5
145.06487	1.0
147.07924	0.3
151.03877	0.3
159.08052	2.8
163.03893	15.6
171.08054	0.6
173.05943	0.5
175.07524	2.2
181.04976	0.3
187.07491	1.4
199.11188	0.9
205.96594	0.3
212.08388	0.4
227.10767	0.5
245.11746	0.7
247.97699	0.3
283.09427	0.3
306.16998	1.1
324.18015	7.3
325.09076	0.8
325.18262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	CW 69D
Peak:m/z	Relative Intensity
52.42557	0.3
55.27603	0.3
62.77253	0.3
63.92300	0.3
70.62711	0.6
71.79623	0.3
75.74021	0.3
77.03903	0.4
79.05485	19.3
91.05468	0.8
93.07029	2.0
95.04950	1.3
103.05461	38.3
104.05764	0.7
105.04485	0.7
105.07024	2.7
107.04945	21.0
108.05325	0.5
110.15759	0.3
118.06535	6.1
121.06491	1.3
131.04918	13.4
132.08040	2.0
133.08841	0.8
134.09627	0.3
146.09645	2.2
149.05948	0.9
151.07529	0.4
160.11232	0.9
163.03868	1.1
176.14331	50.6
177.14659	1.6
189.15187	0.6
190.08829	0.4
190.48840	0.3
204.10175	0.4
206.46851	0.3
233.14192	0.4
324.19543	100.0
325.19879	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	324.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36791	2.0
55.05506	2.3
57.03429	2.9
69.03435	11.1
70.94218	2.4
71.08631	23.6
81.03411	4.6
85.02898	11.4
86.09649	2.2
89.03902	5.3
89.52953	2.2
95.04959	3.8
97.02879	20.3
99.08086	28.2
109.10181	2.6
109.66747	2.5
113.25050	2.3
117.03365	11.8
127.03938	3.0
127.11181	25.3
135.04393	19.3
145.02875	14.7
145.12227	68.9
151.03918	14.7
151.11147	3.4
163.03888	100.0
170.17325	2.1
178.05827	4.7
181.04909	4.0
254.60982	2.5
270.15787	3.0
285.92484	2.5
295.68002	2.7
307.08130	3.5
314.89825	2.3
323.58441	2.3
325.05716	3.7
325.09302	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05514	1.6
57.07042	1.0
67.05507	4.5
69.07066	10.5
69.74946	1.2
69.75331	1.9
79.05499	3.8
79.68802	0.8
81.00456	0.7
81.07053	8.5
83.04977	3.0
86.09703	100.0
87.10046	1.3
91.05479	9.2
93.07043	13.9
95.04958	2.4
95.08597	2.2
97.06508	0.7
98.22748	1.2
105.07032	15.5
107.08582	3.3
109.06506	10.2
109.10155	1.5
111.08064	2.9
119.08560	4.8
121.10143	1.2
123.08079	1.0
123.11738	0.9
128.10710	4.5
129.07021	0.9
130.72656	0.7
131.08568	3.8
132.10202	31.6
133.06471	1.0
133.10121	16.0
147.11684	13.0
149.09642	2.0
151.07576	3.0
151.11177	45.2
152.11464	1.3
156.10149	1.1
165.12733	1.8
167.14317	0.7
175.11166	4.6
192.14005	0.9
193.10674	0.8
193.12222	3.9
210.14919	0.8
222.14865	1.0
260.20081	7.4
278.21136	30.3
279.21542	2.0
295.24020	0.8
306.20630	5.6
324.21701	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05510	7.5
57.02085	0.3
57.03440	0.5
57.07073	1.4
59.62762	0.3
60.04523	0.6
60.67648	0.3
62.06087	100.0
63.06423	0.6
65.03929	0.5
65.04489	0.2
67.05503	18.2
68.05840	0.4
69.07066	6.8
69.07526	0.9
69.07959	1.1
70.02939	0.6
70.06588	0.6
71.08624	0.6
71.30598	0.3
73.02925	0.4
77.48937	0.3
79.05485	5.2
79.77225	0.3
81.07056	17.2
82.07393	0.4
83.04994	0.6
83.08617	3.3
85.05289	0.3
88.03998	0.5
91.05476	2.9
91.59010	0.3
93.07043	4.8
95.04976	0.4
95.05990	0.2
95.08604	14.7
96.08932	0.6
97.06532	0.7
97.10166	1.5
98.06054	1.3
99.04446	0.6
99.08058	0.4
105.07027	1.9
107.08594	2.2
109.10159	5.2
111.71968	0.2
119.08590	1.5
121.10141	2.1
123.11695	1.6
130.08649	0.5
133.10130	1.6
135.11691	1.1
137.13254	0.8
144.10236	0.5
147.11682	1.2
149.13277	0.7
151.14813	0.4
161.13278	1.2
163.14824	0.5
165.16388	0.4
175.14925	0.6
179.17932	0.4
181.15962	0.3
189.16490	0.5
240.19595	0.4
245.22646	1.8
263.23816	1.5
273.81860	0.3
306.27896	2.7
307.26242	3.3
324.22919	0.4
324.28958	14.8
325.29477	0.6
340.35367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05509	9.3
57.03426	1.1
57.07063	3.5
59.12001	0.8
60.04521	3.0
62.06083	100.0
67.05499	25.7
69.07062	10.7
69.52576	3.9
70.02946	6.9
70.06593	1.6
71.08613	1.1
79.05479	5.5
81.07050	22.6
83.08611	6.7
88.03943	1.7
91.05474	4.1
93.07046	3.2
94.56068	0.9
95.04948	1.1
95.08603	21.3
97.06518	2.1
97.10154	3.8
105.07027	3.4
107.08594	2.5
109.10139	7.9
111.11747	1.1
119.08560	3.2
121.10137	2.8
123.11682	3.0
128.07063	1.3
133.10123	3.5
135.11671	1.6
147.11720	1.1
161.13167	1.3
163.14716	1.1
175.14848	1.1
245.22598	1.6
263.23871	1.4
296.56940	1.0
306.27798	5.0
307.26248	2.5
310.32828	0.9
324.28915	39.6
325.29288	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	325.0914
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03929	1.1
57.03423	1.6
57.66431	0.4
59.59062	0.4
63.02385	0.5
69.03424	8.5
71.01355	0.6
71.04995	0.6
71.42709	0.4
73.88638	0.4
79.05466	0.9
81.03412	3.1
85.02902	4.6
89.03912	6.5
91.56618	0.6
97.02887	18.0
98.03262	0.5
99.04460	1.6
101.02351	1.0
106.53986	0.4
107.04928	2.3
109.00336	0.4
109.02837	0.9
117.03370	9.0
127.03919	1.2
135.04405	19.6
145.02831	14.2
145.03786	0.5
163.03891	100.0
164.04262	2.6
173.34009	0.4
181.04958	2.7
194.19667	0.5
217.28163	0.5
239.89673	0.4
265.07007	0.6
307.08142	1.8
325.09174	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01868	0.4
57.03420	1.3
59.88073	0.2
61.02928	0.5
63.02356	0.3
69.03426	3.7
69.14622	1.8
70.06592	0.7
71.04987	0.5
73.02911	0.4
74.04067	0.3
79.05486	1.0
81.03416	3.3
85.02901	4.5
89.03915	6.4
90.04255	0.3
91.03928	0.3
95.04979	0.8
97.02894	6.0
99.04464	1.2
105.03352	0.3
107.04954	2.2
109.02831	1.3
111.00824	0.3
111.04482	0.3
117.02567	0.6
117.03377	9.4
118.03691	0.3
127.03915	1.2
133.02847	1.0
135.04410	19.5
136.04707	0.4
145.02844	13.5
146.03181	0.4
147.04387	0.7
163.03894	100.0
164.04250	2.5
177.05453	0.4
179.03354	0.9
181.04944	2.9
182.05740	0.4
201.05376	0.3
265.12439	0.3
283.13232	0.6
307.08008	1.9
325.09180	2.8
325.12408	0.5
325.15414	0.5
347.59616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
53.39208	0.4
57.03426	1.4
57.04549	0.8
65.03931	0.7
69.03075	0.5
69.03425	7.7
69.04524	0.4
69.41302	2.2
71.01351	0.7
71.04986	0.6
72.08147	4.7
79.05470	1.3
81.03407	4.3
85.02895	3.7
88.77047	0.4
89.03905	8.6
91.05462	0.6
95.04948	0.8
97.02881	15.2
97.07658	0.6
99.04424	1.2
101.02357	1.1
107.04936	2.8
107.08544	0.6
109.02856	2.2
111.09184	1.0
117.03366	11.8
127.03914	1.7
128.11809	1.5
133.02878	0.4
135.04393	21.0
137.05968	0.8
145.02826	15.1
146.12923	0.5
148.35046	0.4
153.11392	0.4
163.03880	100.0
164.04240	2.4
165.21172	0.5
168.81140	0.4
181.04924	13.8
186.03099	0.8
201.05438	0.8
205.06448	1.0
214.35532	0.4
233.05977	0.5
236.44911	0.4
250.06181	1.0
264.07742	0.5
265.08603	0.7
292.07376	1.1
293.08017	1.1
307.08298	2.7
325.08948	4.4
326.17114	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	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01869	0.4
57.03431	1.5
63.02365	0.4
65.99003	0.2
66.74897	0.2
69.03070	0.4
69.03427	7.6
71.01339	0.9
71.05000	0.3
71.72628	0.2
73.02895	0.2
74.11800	0.2
79.05505	1.6
81.03413	3.0
85.02902	4.4
89.03915	8.0
89.04460	0.5
91.05460	0.4
95.04939	0.5
97.02888	17.6
98.22630	0.5
99.04441	0.9
101.02353	0.9
107.04948	2.8
109.02846	1.0
110.77757	0.2
112.63963	0.2
117.03376	12.5
119.04920	0.3
127.03889	1.3
135.04408	19.2
136.04720	0.6
145.02840	14.9
146.03197	0.6
163.03889	100.0
164.04248	2.8
177.05487	0.5
181.04938	3.0
201.34174	0.2
237.09106	0.2
243.01324	0.3
265.06900	0.3
292.07339	0.3
307.08047	2.6
325.09097	5.2
337.09854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.0
53.00309	0.0
53.03931	0.5
54.03463	0.1
55.01856	0.1
55.02984	5.4
55.05500	1.9
56.05029	0.2
57.03433	0.1
60.05637	0.5
61.72221	0.0
62.02739	0.0
62.03012	0.0
63.02378	0.0
65.03925	0.5
66.00788	0.0
66.01119	0.1
66.04702	0.1
67.01877	0.0
67.05489	0.2
68.05006	0.2
69.03413	0.3
70.06578	0.1
70.94640	0.0
71.04984	0.1
72.05634	1.8
72.08140	41.2
72.17022	0.0
72.76659	0.0
73.06529	0.2
75.04456	0.2
77.03906	0.4
78.04704	0.1
79.01845	0.0
79.05476	3.2
80.05009	0.2
81.03397	2.1
81.07040	1.5
82.04176	0.0
83.04954	0.1
84.05659	0.0
85.02892	0.2
86.03558	0.0
86.07171	0.1
89.03886	0.2
90.09153	0.0
91.05457	0.3
92.02637	0.1
93.03386	0.2
94.04169	0.5
94.04719	0.0
95.04951	1.3
96.02114	0.0
96.05733	1.5
97.02867	0.1
97.07632	23.0
97.16530	0.0
98.06028	0.1
99.04439	0.1
100.08707	0.2
103.05428	0.2
105.03388	0.1
105.04508	0.4
105.07014	0.0
106.04154	0.2
107.01292	0.1
107.04926	0.4
108.05725	0.6
109.02837	0.5
109.06496	2.6
111.04453	0.1
111.08066	0.8
113.02370	0.1
113.05979	0.5
114.10265	37.8
115.05395	0.1
115.08650	0.2
116.07075	0.1
117.03352	0.2
117.07007	0.1
119.04973	0.0
119.08527	0.1
121.02852	0.3
121.06496	0.1
122.03620	2.2
123.04418	0.2
124.05182	3.6
125.05954	0.1
127.03886	0.1
128.04649	0.2
129.06894	0.1
130.09729	0.1
131.04869	0.2
132.05663	0.1
132.11296	0.1
133.02837	0.1
134.03581	0.4
135.04391	0.7
135.05403	0.0
137.02292	0.6
137.03310	0.0
137.05940	0.9
138.06735	0.3
139.03935	0.2
139.07510	5.8
141.01834	0.2
141.06956	0.1
141.66862	0.0
143.06960	0.1
145.02826	0.3
145.06512	0.1
147.07942	0.2
151.03867	0.8
152.04649	8.3
154.06212	1.5
155.03313	0.0
156.04137	0.5
157.06476	0.0
158.09213	0.1
161.06041	0.1
162.03055	0.1
163.03870	2.6
163.07396	0.2
164.04179	0.1
165.01811	0.1
165.05487	0.1
167.07002	4.2
169.06427	0.2
169.08586	0.7
175.07492	0.7
179.03276	0.2
180.04243	0.2
181.04855	0.2
184.03558	0.2
185.08046	1.5
189.08981	0.1
194.08110	1.0
194.66316	0.0
195.06477	100.0
195.45972	0.1
198.05249	0.1
201.09120	0.1
212.09161	0.6
213.07594	0.2
225.07521	0.1
250.06328	0.0
266.13803	0.1
267.12225	0.4
268.12744	0.1
284.14871	0.1
292.07025	0.1
292.12833	0.1
296.12408	0.1
307.07864	0.4
309.14383	1.6
310.13785	0.1
311.14758	0.1
325.10614	0.1
325.14273	0.3
326.17001	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60343	0.4
53.03937	1.0
55.01868	0.3
56.02948	0.2
57.03426	1.2
63.02357	0.3
64.44978	0.3
64.89849	0.3
69.03423	8.4
71.01338	0.8
71.04985	0.4
71.37459	0.3
79.05492	1.1
81.03404	3.0
85.02897	4.3
89.03907	7.3
93.97253	0.3
95.04996	0.3
97.02884	18.5
98.03197	0.4
99.04435	1.0
101.02367	1.2
106.36624	0.2
107.04944	2.9
109.02871	1.2
117.03374	10.9
118.03647	0.3
118.08640	0.4
127.03906	1.2
135.04405	16.8
136.04726	0.4
143.51274	0.3
145.01686	0.6
145.02840	12.3
145.03856	0.4
146.03201	0.7
157.61440	0.2
163.03883	100.0
164.04222	3.0
181.04924	3.1
190.88509	0.3
265.07104	0.6
307.08099	3.1
325.09149	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	325.107
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03946	3.0
55.01862	1.9
57.03435	1.6
57.04560	1.4
57.51324	0.9
60.90133	0.8
65.03954	2.6
68.05013	0.8
69.03423	12.4
69.04543	0.9
69.16036	5.8
70.16759	0.9
71.01334	0.9
71.04996	1.9
72.08147	12.3
74.98412	1.0
77.92973	1.0
79.05505	2.2
81.03408	18.0
85.02900	5.4
89.03904	7.5
91.05472	6.2
95.04946	1.8
97.02882	10.9
97.07655	1.2
99.04464	1.1
103.05457	1.3
105.07072	1.4
107.04953	3.9
109.02866	6.7
109.06574	1.0
111.09209	1.5
115.05483	2.8
117.03361	10.8
117.07069	1.4
119.04960	3.7
121.06522	1.3
122.03633	1.6
127.03947	3.3
128.11868	2.6
130.04193	2.3
131.04950	1.9
133.02863	1.5
134.03619	1.0
135.04402	18.4
135.05339	1.3
137.02382	0.9
137.05959	17.6
140.04712	1.5
143.04900	1.0
145.02849	13.7
145.03902	1.4
145.06526	2.4
146.12946	1.0
147.04457	1.8
149.06041	3.1
149.09616	1.0
150.06728	1.3
151.03893	1.6
151.07550	1.0
153.05565	1.6
157.04117	1.0
158.03621	4.2
163.03886	100.0
164.04308	2.4
165.07065	3.4
166.07794	2.1
171.06592	1.9
173.05937	5.2
175.03964	3.0
175.07602	2.3
176.06180	4.6
177.06978	8.2
178.07733	1.2
181.04935	47.7
186.03090	12.9
189.07037	1.8
190.07761	1.0
193.06590	2.2
194.07224	10.2
195.08008	1.1
195.66653	0.9
200.04686	0.9
201.05447	17.9
203.08611	1.0
204.05742	3.1
205.06471	24.2
206.07149	1.6
207.08179	1.5
209.09398	1.0
211.03963	0.9
211.07643	1.3
218.07275	1.0
219.08168	3.5
221.05975	11.4
221.09573	1.2
222.06711	15.6
222.08714	1.3
223.07513	2.5
226.06343	1.5
227.07088	1.8
232.05374	1.2
233.05954	21.4
234.06664	7.3
235.07523	1.9
236.04886	1.1
236.08342	1.6
237.09074	12.2
239.06987	4.6
247.07510	4.4
248.08260	1.5
249.05443	10.7
249.08183	0.8
249.09073	1.0
250.06227	19.4
251.07088	3.7
253.08600	0.9
254.05667	1.6
261.05518	3.2
262.06470	0.9
263.07114	1.4
264.07809	10.3
265.08600	27.7
266.09357	2.5
267.06464	3.8
275.07141	2.1
277.04837	5.0
278.05682	10.2
279.06573	2.2
279.10263	3.4
281.07932	1.4
282.08957	3.3
292.07281	20.8
292.10437	1.1
293.08035	37.6
294.08691	3.3
295.06110	3.5
297.11163	5.6
307.09720	51.7
308.10095	3.4
310.08475	3.8
325.10776	47.0
326.11096	3.4
326.17044	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	325.1434
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
53.03933	0.9
55.05492	1.7
66.87697	0.6
67.01868	1.0
67.05520	0.7
68.86235	0.6
69.07068	0.7
69.66333	2.8
69.66669	0.9
72.08140	0.7
77.03929	1.2
77.91938	0.7
79.05493	8.0
83.04974	10.2
91.05470	1.3
95.04961	3.1
98.23309	1.1
98.97552	0.8
104.29266	0.7
105.03400	0.8
105.07043	0.7
107.04950	19.3
121.10107	0.9
135.04410	100.0
136.04770	2.0
142.07755	0.8
163.03864	1.1
173.09694	1.4
179.03542	1.0
185.05925	0.9
185.09644	1.1
195.08101	1.3
198.06767	1.5
199.07500	0.7
201.09146	1.1
205.04962	2.6
213.09023	1.5
217.08606	2.1
223.07495	1.1
224.17615	0.8
226.06218	3.2
227.06990	2.5
241.04948	1.3
241.08586	24.0
242.09016	1.0
251.07047	1.9
269.08072	73.6
270.08408	3.6
325.14215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01601	5.0
55.01867	42.3
55.05509	34.0
57.03428	32.1
67.05502	86.3
69.03435	3.8
69.07057	29.8
69.51319	7.2
69.51712	7.8
71.04982	5.5
72.08138	6.9
72.14122	3.9
75.57566	3.7
79.05487	78.0
80.06291	6.2
81.03415	16.8
81.07046	80.7
83.04980	33.0
83.08595	10.2
84.52203	3.9
91.05477	75.4
93.07040	51.6
94.04199	6.4
95.04961	72.3
95.08605	37.5
96.05752	4.5
97.02895	8.5
97.06551	4.6
97.10186	8.9
98.07328	4.2
103.05454	6.7
105.07024	56.7
107.04948	100.0
107.08591	22.3
108.05733	9.0
109.06509	38.5
109.10154	18.9
111.04428	13.4
111.08075	6.7
112.05212	13.6
113.06048	5.5
115.05432	7.5
117.07022	30.7
119.05016	5.3
119.08591	35.6
121.06509	17.3
121.10168	11.7
122.07277	36.6
123.04437	10.5
123.08080	7.6
123.11672	4.6
128.06195	10.1
129.07018	14.3
131.08592	34.9
133.06499	24.3
133.10143	15.5
135.08017	19.1
135.11659	6.3
137.09605	14.1
137.50333	3.9
141.06953	4.9
142.07806	4.2
143.08553	16.6
145.06483	19.7
145.10136	15.1
147.08046	35.6
147.11720	5.4
148.08675	4.9
149.09576	8.1
149.13258	6.3
151.07539	6.0
159.11731	11.2
161.09592	24.4
162.10373	8.2
163.11182	11.4
165.08995	7.3
169.10185	5.6
171.11653	9.3
173.13274	13.0
175.11201	9.8
187.14838	16.3
189.06958	3.5
189.12750	9.8
195.06514	10.2
203.14296	6.5
205.15891	12.6
215.14285	11.3
233.15344	82.5
234.15878	6.3
251.16489	19.4
260.51105	4.5
273.18610	6.7
290.18881	7.4
301.95709	4.6
320.67487	4.2
326.17065	8.2
326.24564	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05496	1.4
55.24556	0.9
56.05033	1.4
57.03429	2.8
61.02916	2.1
67.05505	1.0
68.05023	1.7
69.03433	11.0
70.06599	1.0
70.70892	1.2
79.05476	3.4
80.05000	1.4
81.03417	7.3
81.07054	2.2
82.06561	1.8
84.04502	11.6
85.02905	35.7
86.06071	4.8
89.03922	6.8
89.29721	0.8
91.03960	1.5
91.05465	2.0
93.07047	5.4
95.01314	1.3
97.02889	17.6
98.06043	1.9
99.04459	2.0
102.05556	7.0
103.03914	1.0
107.04939	3.5
107.08577	3.1
108.08117	36.8
109.02882	3.6
110.09674	3.3
112.03969	0.9
117.03397	10.5
121.10153	1.0
122.09659	2.7
123.10453	1.3
123.11696	1.2
124.11193	0.9
127.03911	5.2
130.05000	63.7
131.05212	1.2
133.02786	0.9
133.22446	0.8
135.04425	17.6
135.11687	5.1
137.05957	3.2
145.02847	11.7
145.03827	1.3
145.04919	5.0
149.06029	0.9
150.12775	8.8
151.13628	1.7
151.35548	0.9
152.14345	71.3
153.14717	2.1
154.15897	3.7
163.03906	100.0
164.04256	3.9
178.15942	2.7
181.04956	5.1
191.08162	2.3
194.15349	2.9
196.16974	26.8
196.18311	0.5
197.17230	1.6
201.05475	2.0
218.09232	1.8
235.18016	2.5
236.16333	1.2
239.07054	1.0
264.15976	10.3
281.18588	64.6
282.18909	3.0
283.20197	1.5
293.08051	1.4
307.08252	4.1
308.18488	4.0
325.08810	4.5
325.21201	67.4
326.08530	0.9
326.21619	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03928	2.0
54.71928	1.0
55.01860	1.7
55.05508	48.4
56.05849	1.0
57.03433	26.2
57.07070	17.6
67.05495	31.6
69.03415	1.6
69.07061	56.7
70.07402	1.4
70.62639	1.6
71.04974	2.8
71.08614	9.9
72.08134	1.0
73.02892	1.1
77.00584	1.6
79.05046	1.5
79.05480	17.9
81.07047	37.0
82.07381	1.3
83.04977	10.2
83.08611	39.1
84.08980	1.0
85.06519	1.8
85.10161	3.7
91.05463	3.8
93.07035	19.5
95.01617	4.1
95.04971	1.4
95.08594	34.7
97.01322	1.9
97.06525	8.4
97.10157	24.6
98.24615	0.9
99.08073	1.2
105.04509	1.2
105.06973	1.8
107.08585	13.7
109.10153	11.5
110.93286	1.1
111.08061	4.8
111.11706	5.1
115.07523	1.1
121.10133	18.7
123.11688	4.1
124.90422	1.1
125.09639	3.3
125.13268	1.3
129.05490	2.4
130.44382	0.9
135.11674	17.5
137.13251	2.6
139.11147	2.4
149.13240	6.1
151.14828	2.7
153.12704	1.6
159.07977	1.1
161.15375	1.1
161.83635	0.9
163.14769	2.0
201.09122	3.1
207.17648	1.1
215.10658	2.7
225.09172	3.8
233.11826	1.1
233.22665	5.2
234.12167	1.1
235.11858	1.5
243.10144	15.2
251.23697	3.6
260.56384	1.1
307.13068	2.2
325.27328	100.0
326.27634	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	325.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21001	1.1
53.03956	2.1
55.01876	2.5
55.05506	42.2
57.03431	22.7
57.07071	19.3
57.22088	1.1
65.03934	1.3
67.05499	33.8
69.07059	53.5
69.73660	4.2
71.04988	1.6
71.08622	9.1
79.05486	18.7
80.70410	1.0
81.07052	39.0
83.04971	3.1
83.08118	2.1
83.08610	37.3
85.06537	1.9
85.10166	4.6
91.05474	2.7
93.07037	25.5
95.01662	1.6
95.08596	31.3
97.01295	1.9
97.06525	12.2
97.10161	19.2
99.04469	1.1
99.08076	2.6
105.07001	1.7
107.08573	14.4
109.10150	9.2
111.08053	5.5
111.11696	5.2
121.10133	23.2
122.10505	1.2
123.11667	4.0
125.09563	2.2
129.05453	4.2
132.49890	1.1
135.11679	18.4
137.13242	2.3
139.11148	2.3
149.13242	5.7
151.14812	2.2
153.12729	1.5
162.11327	1.0
163.14807	3.0
177.16356	1.4
209.14001	1.3
211.93314	1.0
218.50365	1.2
233.22629	6.8
251.23703	4.0
279.79929	1.5
325.27328	100.0
326.27679	6.4
340.17511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21522	0.3
82.99873	0.6
84.04501	0.6
86.09691	0.6
92.81604	0.2
98.97517	0.4
98.97789	0.4
98.98463	5.5
99.86812	0.3
101.00873	3.3
115.02399	0.6
116.98627	0.4
119.01909	6.6
120.01964	0.3
131.01877	0.4
134.99860	0.4
137.02917	0.7
140.98854	0.8
142.03497	1.4
143.01900	0.3
148.52701	0.3
157.03392	0.3
158.99875	3.0
159.99924	0.3
160.04518	2.1
161.02902	0.5
164.09319	0.6
172.08099	0.3
173.02921	0.3
174.99245	0.7
175.03098	0.3
177.00941	21.0
178.01033	2.1
182.99757	1.4
184.04498	0.6
189.03589	0.6
195.02090	0.3
198.06143	0.4
200.02495	0.3
200.07732	0.6
201.00938	4.1
201.02690	0.4
202.01140	0.4
202.05588	0.6
204.82996	0.3
208.04584	0.7
213.03560	0.3
214.87166	0.2
215.02475	0.5
217.04089	2.8
217.99055	0.5
218.03596	1.8
219.01988	36.0
220.02092	3.2
224.02538	0.5
224.04471	0.4
225.00836	3.0
225.02994	0.3
226.05594	2.9
235.99980	0.6
236.99664	0.3
241.99074	0.6
242.03574	2.9
243.01938	11.5
243.08789	0.3
244.02074	1.0
244.06656	2.1
244.56165	0.3
245.05267	0.3
252.09375	0.3
254.05630	0.3
254.59512	0.3
257.03513	1.0
258.99930	0.5
260.00125	1.9
261.03040	100.0
262.03189	10.3
262.07541	0.4
263.03384	0.9
263.60233	0.3
266.03555	2.0
278.01138	1.1
279.00922	0.5
284.00067	4.6
284.04639	25.8
285.00104	1.9
285.05005	2.5
302.01141	7.2
302.05658	9.0
302.33154	0.3
303.00848	2.2
303.05789	0.9
308.04602	0.9
320.02139	0.4
326.01709	0.4
326.05643	8.3
327.05969	1.3
344.02158	2.3
344.06735	0.8
345.01895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21522	0.3
82.99873	0.6
84.04501	0.6
86.09691	0.6
92.81604	0.2
98.97517	0.4
98.97789	0.4
98.98463	5.5
99.86812	0.3
101.00873	3.3
115.02399	0.6
116.98627	0.4
119.01909	6.6
120.01964	0.3
131.01877	0.4
134.99860	0.4
137.02917	0.7
140.98854	0.8
142.03497	1.4
143.01900	0.3
148.52701	0.3
157.03392	0.3
158.99875	3.0
159.99924	0.3
160.04518	2.1
161.02902	0.5
164.09319	0.6
172.08099	0.3
173.02921	0.3
174.99245	0.7
175.03098	0.3
177.00941	21.0
178.01033	2.1
182.99757	1.4
184.04498	0.6
189.03589	0.6
195.02090	0.3
198.06143	0.4
200.02495	0.3
200.07732	0.6
201.00938	4.1
201.02690	0.4
202.01140	0.4
202.05588	0.6
204.82996	0.3
208.04584	0.7
213.03560	0.3
214.87166	0.2
215.02475	0.5
217.04089	2.8
217.99055	0.5
218.03596	1.8
219.01988	36.0
220.02092	3.2
224.02538	0.5
224.04471	0.4
225.00836	3.0
225.02994	0.3
226.05594	2.9
235.99980	0.6
236.99664	0.3
241.99074	0.6
242.03574	2.9
243.01938	11.5
243.08789	0.3
244.02074	1.0
244.06656	2.1
244.56165	0.3
245.05267	0.3
252.09375	0.3
254.05630	0.3
254.59512	0.3
257.03513	1.0
258.99930	0.5
260.00125	1.9
261.03040	100.0
262.03189	10.3
262.07541	0.4
263.03384	0.9
263.60233	0.3
266.03555	2.0
278.01138	1.1
279.00922	0.5
284.00067	4.6
284.04639	25.8
285.00104	1.9
285.05005	2.5
302.01141	7.2
302.05658	9.0
302.33154	0.3
303.00848	2.2
303.05789	0.9
308.04602	0.9
320.02139	0.4
326.01709	0.4
326.05643	8.3
327.05969	1.3
344.02158	2.3
344.06735	0.8
345.01895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02993	4.2
55.05492	1.8
58.99568	0.6
59.49670	0.5
60.05645	0.6
60.06849	0.6
67.05495	0.7
69.75950	1.1
69.76345	1.8
72.05618	1.7
72.08151	42.4
79.05479	2.9
81.03381	1.2
81.07043	1.7
95.04964	1.3
96.05711	0.9
97.07646	21.4
98.98462	39.8
100.11248	1.2
107.04978	0.6
109.06475	1.8
114.10285	32.0
116.99495	1.0
122.03619	2.0
124.05231	3.2
139.07544	5.8
144.52577	0.6
152.04655	9.0
153.89973	0.5
154.06207	1.6
163.03909	1.7
164.04231	2.3
167.07022	4.2
169.08667	0.6
171.18860	0.6
174.99226	4.5
182.09654	1.4
185.08069	1.4
194.08122	1.1
195.06516	100.0
196.06876	2.0
210.09145	3.3
211.09915	1.0
220.07631	1.1
221.08333	4.7
222.09109	0.7
223.09879	18.4
224.10641	5.9
226.06810	2.7
226.08774	1.1
227.71985	0.6
233.08253	0.7
234.09175	3.4
235.09901	23.3
236.10661	14.8
237.11029	1.0
238.03307	0.8
239.03969	30.8
240.04303	1.0
248.10722	9.9
249.11447	10.3
250.99980	1.4
252.10278	1.7
253.05556	2.3
254.06325	65.2
255.06613	3.5
267.07144	2.2
282.09445	80.8
283.09778	4.5
309.14597	1.6
326.08459	50.9
326.17050	70.7
326.27811	1.4
327.08801	2.8
327.17444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59352	0.2
51.99549	0.2
53.03956	0.2
55.05505	0.3
56.05027	0.2
57.03434	0.5
60.04525	0.3
61.02931	0.3
66.33141	0.2
67.05487	0.6
69.03417	0.8
69.31709	0.7
70.06585	2.6
71.04987	0.5
72.04501	0.4
72.08141	0.5
74.06060	0.3
79.05489	0.5
81.03405	0.8
81.07041	0.6
82.06545	0.4
83.08620	0.2
84.08084	0.3
85.02897	0.9
86.03235	0.3
86.06042	0.3
86.09682	0.2
88.07619	0.4
91.03989	0.2
91.05463	1.2
93.07021	1.4
94.06552	1.1
95.08613	0.5
96.08087	0.3
97.02834	0.3
98.98455	33.8
99.04461	0.4
100.07607	0.3
105.07001	1.5
107.08588	2.4
108.08102	0.6
108.08911	0.2
109.06470	0.3
109.10143	0.9
110.07146	0.5
111.00817	0.3
114.02897	0.7
116.99475	0.7
117.06983	0.4
119.08569	0.6
120.08064	0.4
121.08837	0.3
121.10172	0.2
123.08082	0.2
123.11703	0.5
124.07551	1.5
124.11226	0.2
127.03932	0.3
129.09093	0.3
130.09752	1.3
132.08076	0.4
133.10101	2.0
134.09641	0.8
135.07990	0.3
135.11638	0.5
137.09596	0.5
138.09099	2.9
140.04692	0.4
148.11195	2.1
149.11952	0.8
150.12764	0.6
152.10683	7.6
153.11148	0.2
162.12775	0.3
163.03918	0.9
163.07547	0.7
163.13588	0.3
164.04242	0.9
164.10721	0.3
164.14310	0.2
165.09105	0.7
171.06451	0.2
174.99199	3.7
175.00571	0.4
176.14311	0.6
177.05612	0.2
178.12244	0.5
179.13023	0.5
181.04916	2.5
182.05243	0.3
183.14880	0.4
192.13820	0.9
194.15379	100.0
195.15712	3.8
211.14417	0.3
230.03857	0.5
250.99985	0.5
280.11673	0.3
326.15936	9.4
327.07407	0.3
327.10580	1.6
327.16553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1597
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
53.03931	0.3
55.05493	0.5
57.03427	0.4
58.06579	0.8
60.04517	0.4
65.03926	0.3
67.05482	0.9
69.03419	0.6
69.07022	0.4
70.06580	1.1
70.58576	0.4
71.04955	0.2
72.04510	0.3
72.08141	0.5
74.06073	0.6
79.05466	1.2
80.05001	0.4
81.03427	0.6
81.07056	1.1
82.04277	0.3
83.01369	0.2
84.04490	0.8
84.08128	0.3
85.02890	1.5
86.06049	0.3
86.09704	0.2
88.07616	0.4
91.05482	0.9
93.07055	2.0
94.06554	1.1
95.08581	0.4
96.08124	0.3
97.02893	0.3
98.06039	0.3
98.98457	31.0
100.07600	0.7
101.05888	0.4
102.05559	0.3
102.09171	0.3
105.07023	1.3
106.06492	0.3
107.04940	0.3
107.07363	0.4
107.08578	3.4
108.08110	2.7
109.10146	0.9
110.05988	0.3
110.07203	0.4
110.09704	0.5
111.00822	0.4
116.99497	0.9
117.03280	0.3
119.08606	0.7
120.08053	0.3
121.08853	0.3
121.10139	0.3
122.09657	1.9
123.11714	0.7
124.07573	1.9
124.11234	0.4
125.09633	0.5
133.10126	2.4
134.09639	1.0
135.04387	0.3
135.08035	0.8
135.11682	1.6
136.04726	0.3
136.07564	0.3
137.09540	0.5
138.09126	3.4
146.03226	0.3
148.11188	2.2
149.11957	0.8
149.13101	0.3
150.12779	3.5
151.13562	1.1
152.10689	8.4
152.14351	0.8
159.11642	0.3
162.12759	0.3
163.03867	1.4
163.07582	1.1
164.04221	2.1
164.14276	0.3
165.09077	1.2
166.12280	0.4
174.99200	4.4
175.90366	0.2
176.14333	0.4
177.01822	0.3
178.12215	0.3
179.13042	0.4
181.04915	1.5
181.08591	0.3
182.08127	0.3
192.08577	0.3
192.13818	1.2
194.15384	100.0
195.15732	3.5
205.01358	0.3
210.07559	0.4
212.51749	0.2
217.68042	0.3
232.35901	0.2
250.99922	0.5
252.53055	0.2
282.16983	11.6
283.17538	0.4
295.55597	0.3
326.16006	46.3
326.19617	6.7
326.24149	0.9
327.10629	0.3
327.16580	2.1
327.20023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02984	2.5
55.05495	2.5
57.04561	10.1
58.09490	0.6
65.03921	2.4
67.05499	1.0
69.04549	4.6
69.12440	3.5
72.08154	63.3
73.06537	1.3
74.07201	0.8
85.02901	1.8
86.07172	1.3
89.38291	0.6
90.09172	2.2
91.27790	0.6
95.04918	0.7
97.06519	0.6
97.07649	6.4
98.22735	1.6
98.98415	0.7
105.01633	0.6
108.02088	0.8
110.03667	1.3
111.09211	11.9
120.52969	0.5
121.11160	0.5
125.06037	1.2
128.11832	14.3
129.10262	0.6
138.03146	1.0
140.04646	1.5
142.02623	0.6
146.12856	4.8
147.10036	0.5
153.05489	4.3
153.72676	0.6
164.75308	0.6
171.06552	3.7
180.06512	1.3
181.04948	100.0
182.05293	2.6
253.10674	1.2
254.08260	0.6
270.13342	1.7
295.12891	0.8
309.14359	0.8
310.13931	1.8
326.17075	88.0
327.17493	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	326.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.02990	5.2
55.05511	2.4
60.05630	0.5
60.80499	0.3
62.03218	0.2
65.03940	0.5
66.04723	0.3
67.05527	0.3
67.28810	0.3
72.05634	1.6
72.08149	41.9
73.08496	0.3
75.04521	0.3
77.03927	0.6
79.05494	2.7
81.03403	1.9
81.07049	1.3
84.44407	0.3
91.05399	0.3
94.04162	0.4
95.04955	1.2
96.05753	1.4
97.07646	22.3
98.07957	0.4
99.93996	0.3
105.04562	0.3
108.05737	0.7
109.06506	2.6
111.08062	0.5
113.05977	0.6
114.10279	34.1
115.10580	0.3
122.03618	1.9
124.05186	3.3
134.03618	0.4
137.02332	0.8
139.07530	5.2
151.03889	0.7
152.04662	7.9
154.06239	1.2
156.04123	0.4
167.07024	4.3
169.08621	0.4
183.30112	0.3
185.08003	1.3
194.08165	0.9
195.06505	100.0
196.06799	2.4
212.09180	0.8
215.57002	0.3
256.08783	0.3
267.12326	0.3
309.14383	1.2
326.17059	56.9
327.17389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.02996	5.4
55.05516	2.5
60.05621	0.7
62.78813	0.5
71.23304	0.6
72.05618	1.6
72.08152	43.8
77.69040	0.5
79.05486	2.7
81.03397	2.0
81.07035	1.8
87.33135	0.5
95.04951	1.4
95.63467	0.5
96.05749	1.5
97.07653	23.8
97.08287	1.2
109.06512	2.7
111.08021	1.0
114.10284	33.9
122.03638	2.1
124.05198	3.1
137.39078	0.5
139.07521	7.1
151.03830	0.7
152.04668	9.6
154.06253	0.9
154.62755	0.5
167.07019	4.7
172.55164	0.5
185.08046	1.6
194.08195	0.6
195.06516	100.0
196.06885	2.4
296.75638	0.5
299.40091	0.6
326.17078	55.7
327.17337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02992	4.4
55.05484	2.1
60.05648	0.6
62.75330	0.5
69.35675	1.6
69.36082	1.0
72.05623	1.6
72.08147	42.6
73.06516	0.5
73.08462	0.5
77.03895	0.7
79.05482	2.5
81.03403	1.4
81.07041	1.1
95.04929	1.4
96.05711	0.9
97.07641	22.2
97.74670	0.4
98.22717	1.0
98.98466	0.9
108.05751	0.6
109.06527	2.2
111.08051	0.6
114.10278	34.3
122.03631	1.7
124.05232	2.7
137.02287	1.3
139.07541	5.2
141.30864	0.5
151.03877	0.5
152.04663	7.4
154.06252	1.1
167.07033	3.8
169.08588	0.6
185.08038	1.6
195.06505	100.0
196.06821	3.1
309.14301	1.0
316.14340	0.5
326.17056	62.7
327.17484	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	326.305
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05508	6.5
57.07069	2.8
62.06083	100.0
67.05501	6.3
69.07060	10.3
70.02962	0.7
71.13303	0.7
79.05483	4.3
81.07035	6.2
83.05025	0.6
83.08615	6.1
85.10213	0.8
93.07044	4.5
95.08600	5.7
97.06515	1.4
97.10137	3.5
98.98460	7.0
107.08578	3.2
109.10153	1.5
111.08079	1.1
121.10143	5.0
123.11730	0.8
132.02950	0.6
135.11681	2.5
149.13306	1.2
163.14734	0.9
189.83875	0.7
218.08559	0.7
243.50636	0.7
247.24219	1.6
265.25256	1.0
273.00470	0.6
294.80005	0.7
308.29422	2.8
309.27814	5.5
326.30493	44.1
327.30835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76759	0.9
55.01867	1.0
56.96559	2.3
57.03429	2.8
58.62188	0.9
64.51473	1.1
69.03439	1.9
70.02960	5.9
70.06600	1.2
71.01325	1.4
71.44614	1.0
73.02903	1.9
82.99872	1.2
85.02885	2.8
86.09701	1.5
96.38313	0.9
98.97605	4.8
98.98462	100.0
101.00871	8.7
110.07147	1.2
113.00887	5.7
116.98598	3.3
116.99455	1.9
119.01910	17.5
131.01889	15.4
133.03543	1.2
134.99699	1.0
137.02959	3.4
140.65591	1.0
143.01892	3.1
149.02905	1.4
153.01463	2.7
155.01872	8.4
157.03484	6.7
158.98146	2.3
161.02927	8.5
166.07230	7.4
167.01898	2.4
171.02504	22.2
172.94345	2.1
173.02934	11.6
174.97668	4.2
174.99236	11.3
175.04532	2.7
176.99435	1.0
177.00922	2.5
179.00673	1.6
182.03053	1.4
185.02942	9.0
188.99229	2.8
189.03560	60.7
190.03693	3.1
190.95387	3.1
191.03984	1.6
192.98692	2.0
195.02509	5.2
196.91843	1.2
207.00313	4.1
207.02542	4.3
213.03557	41.9
214.03520	2.3
214.95432	5.5
215.03984	3.3
216.98647	2.7
218.98654	2.4
219.01991	4.7
220.02138	2.0
221.01828	1.4
225.03546	19.5
227.05118	3.3
231.04620	29.1
232.04755	1.9
232.96454	10.8
233.05066	13.3
234.99791	4.0
236.99748	5.7
237.03572	2.9
242.98824	3.5
243.04683	5.8
243.98936	1.7
250.97540	4.4
250.99934	1.6
255.04602	6.7
260.99814	16.7
261.99823	1.3
262.03210	2.4
263.02963	1.5
267.04605	3.4
274.99005	1.5
279.00912	10.8
280.00824	1.2
284.00116	1.2
284.99811	38.7
285.05096	2.1
285.99924	4.3
301.01166	1.1
302.01132	2.3
303.00916	58.2
303.06631	2.4
304.01062	6.9
319.71548	1.1
321.02234	2.4
327.00763	2.5
327.06702	35.3
327.10602	1.9
328.06927	2.0
345.01950	14.6
345.08008	3.1
346.05188	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	327.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
66.05143	0.8
69.03396	1.3
70.02930	0.8
77.13190	0.6
80.52330	0.7
81.62838	0.7
84.04505	7.1
84.08121	1.6
85.02886	1.0
86.09685	1.3
97.01363	1.9
98.98465	36.6
99.02946	0.8
101.00856	4.3
102.00954	2.1
112.02434	1.0
113.00819	1.3
114.04041	0.9
115.02428	5.7
117.03979	4.6
119.01921	6.8
120.02026	2.5
121.01672	1.5
124.02423	4.6
126.04044	0.7
130.03535	1.7
131.01877	3.2
132.05032	2.0
133.03416	1.4
135.05032	2.1
137.02921	1.4
142.03493	30.8
143.01878	4.5
143.03638	1.5
144.05029	4.2
145.03452	0.8
148.04539	0.8
155.01920	1.3
157.03416	2.4
158.99878	1.1
160.00052	3.4
160.04552	45.6
160.99686	1.0
161.02925	7.1
161.04640	2.2
162.06105	4.1
165.05348	0.8
166.07268	7.1
171.02480	4.4
173.02942	2.2
174.99165	4.0
177.00987	7.7
178.01042	23.8
179.00677	8.7
179.03964	1.1
180.05049	9.7
181.05122	0.8
182.06619	12.7
183.99936	1.2
184.99623	1.0
185.02937	1.9
189.03554	10.1
190.03604	1.3
195.02359	0.8
198.06123	17.2
199.04460	1.7
199.06232	1.3
200.07680	24.2
201.00887	1.3
201.07782	1.7
202.00966	3.8
203.00674	1.6
207.02596	0.9
208.02509	1.2
208.04529	23.4
209.04829	1.8
213.03514	5.8
217.04141	1.1
218.04079	2.4
218.08791	1.4
218.98730	1.4
219.01984	11.2
219.03824	2.5
220.02110	41.5
221.01762	14.3
225.03523	3.0
225.07233	2.1
226.00838	3.3
226.05591	90.1
226.09276	2.8
227.05852	4.5
231.04655	4.0
233.05040	2.3
236.99788	2.4
237.03604	0.7
242.98730	1.6
243.01740	1.4
243.04016	3.3
244.02390	8.2
244.06665	66.5
244.10442	2.4
245.01805	2.8
245.06863	4.0
255.04669	1.1
258.03677	1.8
260.99905	5.8
261.03070	15.4
262.03189	100.0
262.07300	9.1
263.02863	29.5
267.03748	3.3
268.03406	1.1
279.00986	3.6
284.04706	2.9
284.99918	14.6
285.04776	36.9
285.99924	1.2
286.04504	11.6
291.08212	2.1
302.05368	0.9
303.00885	19.2
303.05856	13.6
304.01126	2.0
304.05542	3.4
309.04846	1.0
309.09290	1.7
327.01279	1.2
327.06183	11.3
328.05414	3.5
345.01669	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	327.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08666	0.7
53.03936	4.1
55.01860	4.1
55.05490	0.9
57.03434	7.7
65.03923	2.9
66.93933	0.7
67.05502	3.2
69.03422	56.7
69.46728	0.7
70.03760	0.8
70.09281	2.0
71.01354	2.5
71.04978	3.9
73.02890	0.9
79.05483	13.4
81.03409	9.5
81.07053	25.4
83.01344	1.2
83.04988	2.1
85.02896	17.3
91.05470	16.2
93.07032	2.3
94.04182	3.2
95.01314	7.2
95.04963	15.0
95.05545	1.5
97.02880	11.9
97.06548	1.0
98.98460	30.8
99.04452	5.2
105.07018	1.0
107.04961	2.8
108.05727	0.8
109.02876	3.8
109.06507	65.2
110.06882	1.4
111.04421	2.3
119.04931	8.4
121.02855	2.4
121.06524	3.1
123.04423	5.3
127.03891	14.8
127.04749	1.2
135.04517	1.2
137.05965	100.0
138.06305	2.5
139.03876	4.7
145.04919	1.8
147.04407	10.4
149.05948	2.4
155.07036	1.4
163.03896	1.1
165.05461	93.0
166.05791	1.6
174.99236	3.2
183.06511	17.3
195.10623	1.5
207.06508	1.2
309.09665	1.0
327.10660	9.8
328.10956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1073
Annotation	cis-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03942	4.0
55.01868	3.7
57.03428	8.3
65.03938	1.6
67.05501	2.1
69.03428	55.9
70.03743	0.9
71.01357	1.6
71.04989	3.3
79.05490	13.3
81.03416	11.0
81.07053	23.5
83.01335	1.6
83.04982	1.3
85.02898	16.0
87.04464	1.0
91.05481	14.9
93.07044	3.2
94.04184	2.1
95.01339	5.7
95.04965	13.3
97.02888	11.1
98.23454	1.7
98.98468	12.8
99.04451	4.7
101.02335	0.8
103.71216	0.9
104.20370	0.8
107.04984	2.2
109.02879	4.0
109.06515	56.8
110.06875	1.2
111.04428	2.4
119.04938	9.3
121.02852	2.3
121.06519	2.8
123.04443	6.6
127.03910	18.1
129.96622	0.8
135.04454	1.3
137.05971	100.0
138.06319	1.9
139.03911	5.0
145.04965	2.6
147.04404	8.8
149.05972	2.3
150.03075	1.0
153.05440	1.2
155.06975	1.6
161.05998	1.0
165.05470	99.3
166.05814	2.3
174.99245	1.1
183.06516	18.0
189.05496	0.9
234.52336	0.9
323.09567	0.8
327.10733	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	327.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03939	1.2
55.01849	1.1
55.05502	1.7
57.03429	1.0
65.03929	0.4
67.05499	2.9
69.03429	4.0
69.53603	2.3
71.01373	0.7
73.02921	0.6
77.03918	1.5
79.05495	3.6
79.54510	0.5
81.03415	2.1
81.07051	1.6
83.01337	1.4
85.02915	2.7
91.05475	12.3
93.07040	31.3
94.07380	0.8
95.04976	6.5
95.08600	2.7
97.02892	3.1
97.06512	1.7
97.10153	0.7
98.98460	100.0
99.04422	0.5
101.02378	0.7
103.05456	1.0
105.04507	1.9
105.06992	1.4
107.04945	1.0
107.08603	1.2
109.06506	1.1
109.10147	4.5
111.08066	0.6
113.02328	0.5
115.03942	1.1
116.99503	2.1
119.08546	2.3
121.06500	35.0
121.90031	0.5
122.06843	0.6
123.08084	1.2
125.02324	0.5
127.03915	0.5
131.04922	0.7
137.09612	4.4
139.07547	1.6
139.58144	0.5
147.08080	2.8
149.05969	21.4
163.03847	0.8
165.09113	15.8
167.07030	41.9
168.07390	1.5
174.99220	12.2
181.04993	1.2
194.15405	1.5
195.15724	1.7
250.99979	1.2
254.31996	0.5
281.14252	0.5
327.10614	2.0
327.14413	2.0
327.16660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03939	1.2
55.01849	1.1
55.05502	1.7
57.03429	1.0
65.03929	0.4
67.05499	2.9
69.03429	4.0
69.53603	2.3
71.01373	0.7
73.02921	0.6
77.03918	1.5
79.05495	3.6
79.54510	0.5
81.03415	2.1
81.07051	1.6
83.01337	1.4
85.02915	2.7
91.05475	12.3
93.07040	31.3
94.07380	0.8
95.04976	6.5
95.08600	2.7
97.02892	3.1
97.06512	1.7
97.10153	0.7
98.98460	100.0
99.04422	0.5
101.02378	0.7
103.05456	1.0
105.04507	1.9
105.06992	1.4
107.04945	1.0
107.08603	1.2
109.06506	1.1
109.10147	4.5
111.08066	0.6
113.02328	0.5
115.03942	1.1
116.99503	2.1
119.08546	2.3
121.06500	35.0
121.90031	0.5
122.06843	0.6
123.08084	1.2
125.02324	0.5
127.03915	0.5
131.04922	0.7
137.09612	4.4
139.07547	1.6
139.58144	0.5
147.08080	2.8
149.05969	21.4
163.03847	0.8
165.09113	15.8
167.07030	41.9
168.07390	1.5
174.99220	12.2
181.04993	1.2
194.15405	1.5
195.15724	1.7
250.99979	1.2
254.31996	0.5
281.14252	0.5
327.10614	2.0
327.14413	2.0
327.16660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1074
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
51.02377	1.0
53.03941	2.5
55.01863	2.6
55.05512	1.7
57.03431	1.5
61.27429	0.7
67.05492	2.0
69.03436	4.9
69.31844	3.8
71.01344	1.0
77.03924	4.2
79.05487	4.5
81.03419	2.6
81.07064	1.3
83.01333	2.7
85.02888	2.9
87.04486	1.1
91.05474	20.8
93.07040	73.8
94.07366	1.8
95.04964	13.6
95.08602	4.1
97.02888	6.3
97.06535	2.0
98.23418	1.5
98.98465	76.5
101.02361	0.9
103.05459	1.2
105.04513	5.2
105.07034	0.8
107.04961	3.0
107.08598	0.9
111.08057	1.0
115.03952	2.0
116.99567	0.9
117.03379	0.8
121.06501	75.7
122.06836	1.2
125.09628	0.8
131.04918	1.9
135.04379	1.1
139.07541	2.3
149.05968	47.6
150.82693	1.0
163.03880	4.3
164.04195	2.1
165.04456	3.0
167.07034	100.0
168.07396	2.2
174.99203	9.1
204.98558	0.7
224.07024	0.7
244.71094	0.8
250.99908	1.1
271.05582	0.8
327.10666	6.5
327.14111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1437
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
50.05594	0.3
53.03938	2.8
55.01858	2.8
55.05504	0.5
57.03431	5.7
59.04985	0.7
61.02922	7.5
65.03919	0.8
67.05497	2.7
69.03420	24.4
69.40772	1.5
70.06583	2.2
71.01366	0.7
71.04990	2.7
73.02908	5.4
77.01575	0.7
79.05491	1.6
81.03407	7.2
81.07042	1.1
83.01341	2.5
85.02894	39.8
87.04459	7.1
89.05468	0.5
89.06020	6.9
91.03936	4.1
91.05473	2.3
93.03413	0.5
93.07032	1.0
95.04967	1.3
95.08591	6.6
95.09148	0.7
97.02882	15.4
97.06518	0.5
98.23513	0.4
98.98454	100.0
99.04433	3.9
101.02360	1.3
105.07008	0.6
107.08579	4.1
109.02859	5.9
109.06511	0.8
109.10124	1.5
111.00781	1.8
111.04439	0.4
115.03916	0.8
115.05430	0.4
116.99481	2.1
117.07005	0.8
119.08566	0.6
121.06478	0.4
123.04448	0.5
123.08057	4.4
127.03899	10.7
133.06451	0.8
133.08580	3.0
134.07202	0.5
135.08038	3.5
137.09608	0.6
140.04662	0.8
145.04941	8.3
147.08058	0.8
148.08763	0.7
149.09596	7.8
153.05415	0.5
163.07516	7.8
164.08310	1.0
165.09094	54.5
166.09419	1.4
174.99207	12.0
177.11205	0.5
181.04935	9.9
181.08568	1.2
182.05116	1.2
193.00066	0.4
199.05887	0.5
208.02867	0.8
226.03885	0.4
251.00017	1.4
309.09305	0.4
327.10971	1.3
327.14313	36.0
328.14600	2.1
328.21069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52864	0.2
55.01884	0.3
55.05509	0.4
67.05496	2.7
68.99773	0.4
69.03447	0.3
69.78606	0.6
69.79004	0.5
70.06584	1.0
72.08153	0.5
79.05502	1.4
79.38129	0.2
81.07062	2.7
83.01323	1.5
91.05490	2.3
93.07037	2.5
94.07356	0.4
95.04958	0.9
95.08596	3.5
96.08911	0.3
98.23412	0.5
98.98458	54.0
103.05458	1.4
105.07026	1.3
106.04185	0.5
107.04922	0.5
107.08589	1.1
109.06493	0.5
109.10148	8.7
114.10284	0.3
116.99494	1.2
119.04938	0.6
119.08556	0.6
121.02837	0.3
121.06498	6.3
121.10130	2.9
123.00760	0.4
123.11687	2.4
125.09642	0.3
131.04915	3.2
131.08569	0.4
133.02858	0.3
134.03627	1.6
135.11601	0.4
140.01074	0.4
147.04425	0.9
149.02211	0.4
149.05949	3.4
159.04402	0.4
162.03107	13.0
163.03574	0.5
163.07564	0.4
169.10106	0.3
173.83557	0.3
174.99205	5.1
177.05449	2.6
180.17455	0.3
181.10168	0.3
190.02596	21.7
191.02881	1.1
193.04921	0.6
196.06844	0.5
199.52457	0.3
200.14308	2.1
201.14691	1.7
205.04944	100.0
206.05292	3.2
207.06525	1.5
219.04506	0.6
219.06488	6.8
230.18608	0.5
231.06560	0.4
233.08147	2.6
245.08104	0.4
246.07613	0.4
247.09673	1.4
250.99869	0.5
257.08032	0.4
259.09482	0.3
269.03198	0.3
271.09634	2.4
285.11115	1.1
326.24619	0.5
327.07980	0.4
327.15820	10.7
327.25089	1.4
328.16174	0.7
328.26120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71379	1.7
53.03949	2.8
55.01872	2.8
55.05499	7.6
57.07066	2.9
64.52158	2.1
67.05505	23.4
69.07051	8.3
70.63321	3.4
74.06075	2.6
79.05495	14.2
81.07057	18.0
83.08594	3.6
91.05488	28.6
93.07042	28.1
95.04974	36.0
95.08612	23.4
97.06519	7.6
98.98463	100.0
105.04507	3.2
105.07034	36.8
107.08591	20.9
109.06554	2.2
109.10131	6.1
114.10277	2.5
115.05406	2.2
117.07007	9.6
119.08575	25.4
121.06514	3.6
121.10136	10.7
123.08076	4.9
128.06209	4.8
129.07008	6.9
131.08572	13.0
133.10104	19.9
135.08075	2.3
135.11600	3.8
139.82617	2.2
141.06874	2.6
141.40903	2.1
142.07784	8.0
143.08597	12.8
145.10121	13.7
147.11652	5.8
155.08592	4.4
155.28351	2.1
156.09314	3.6
157.10088	11.6
159.11673	11.5
169.10143	6.4
170.10939	3.4
171.11714	8.6
173.13240	2.8
174.99254	13.5
175.14818	2.4
181.10115	3.0
183.11662	4.8
185.13292	3.5
187.14824	3.7
195.11734	2.6
197.13242	3.4
207.11629	3.3
209.13229	2.8
239.38208	2.1
250.99808	3.5
327.07721	3.0
327.23083	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.30415	2.1
55.05489	7.3
57.07072	3.8
63.08899	2.1
67.05495	11.3
69.07053	8.8
69.43279	6.6
69.43693	5.5
71.37506	2.1
74.06043	3.9
77.03931	4.1
79.05486	12.4
81.07056	16.1
83.08631	4.0
91.05473	17.3
91.06012	2.8
93.07037	33.0
95.04346	2.8
95.04962	58.3
95.08607	27.7
97.06525	11.7
98.23517	2.0
98.98461	100.0
105.04518	6.0
105.07011	24.9
107.08580	18.4
109.06506	5.9
109.10187	11.8
114.10332	2.7
115.05495	2.9
117.06996	5.1
119.08573	32.1
121.06463	9.2
121.10130	16.7
123.08050	6.1
123.11684	6.8
127.42168	2.2
128.06120	2.6
129.06993	4.7
131.08556	18.3
132.11276	2.4
133.10121	25.0
135.08052	5.1
135.11681	9.8
141.06955	2.3
142.07770	4.3
143.08539	11.8
144.09325	3.6
145.10123	19.5
147.11642	7.9
149.09631	2.4
151.11230	2.3
152.06213	21.6
153.07002	16.0
157.10094	20.5
158.10754	2.7
159.11676	25.2
161.09605	7.5
161.13264	3.6
168.05725	5.6
169.10118	8.1
171.11736	7.3
173.13245	9.8
174.99211	9.8
175.14806	11.8
181.10040	3.2
183.11707	5.0
185.13222	3.8
187.11053	5.1
187.14824	9.9
195.11642	3.7
197.13269	7.3
199.14771	9.3
201.16267	2.6
205.15858	2.4
209.13206	5.5
211.14771	4.4
215.02544	3.2
217.15813	4.3
218.01941	2.4
223.14772	2.7
225.16391	4.8
228.09305	7.4
229.10092	4.4
233.03629	27.8
250.16792	2.2
250.99956	3.6
251.04637	10.1
253.15860	3.5
271.20667	3.0
291.21060	2.4
305.14371	2.2
309.21991	5.2
327.07782	77.2
327.23099	15.7
328.08145	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	328.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50978	0.4
64.26351	0.4
70.24945	0.4
72.08138	1.5
73.08488	0.5
95.04916	0.3
97.07612	0.6
98.98460	64.9
100.98885	0.6
104.09680	0.4
114.10315	0.8
116.99497	1.6
174.99208	5.9
175.99512	0.5
176.98857	2.1
181.08859	1.3
195.06723	3.2
195.10506	0.4
196.06935	1.2
196.11237	0.5
209.08365	1.4
210.09122	55.0
210.57191	0.5
211.09814	8.2
212.29700	0.4
222.09158	2.7
223.09874	5.0
224.10664	9.2
227.05649	0.8
236.10707	1.4
237.11459	27.9
238.11871	1.1
240.04755	1.0
241.05539	23.5
242.05946	0.9
252.99628	0.8
256.07901	7.6
259.29214	0.5
281.10492	0.9
282.11609	0.6
284.08804	0.6
288.68625	0.4
299.05579	0.5
313.07684	2.2
328.09995	100.0
328.24551	51.1
329.10260	6.3
329.24905	0.9
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
55.05503	26.6
57.03416	3.3
66.98492	3.0
67.05502	36.7
69.07062	13.4
69.47305	15.3
76.25687	3.1
79.05489	34.0
81.03408	5.8
81.07049	29.4
83.04950	3.6
83.08610	8.0
91.05465	22.8
91.65222	3.2
93.07047	29.2
95.04969	12.1
95.08102	3.0
95.08588	16.8
97.10170	6.7
98.23463	7.1
98.98460	100.0
105.07040	15.4
107.08587	24.5
109.06536	3.7
109.10130	23.4
117.06995	4.0
119.08571	14.0
121.06580	3.3
121.10146	13.5
123.11658	4.4
125.09638	7.7
125.17436	3.1
131.08559	4.7
133.10155	9.7
137.09598	6.6
145.10150	3.9
147.11661	6.5
154.12296	4.9
159.11687	4.5
172.13303	8.7
173.11719	14.1
174.99185	5.6
176.98779	5.1
189.11212	5.7
195.36102	3.1
201.33534	3.5
214.23386	3.3
275.19992	13.2
329.10065	3.3
329.17371	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55867	2.1
55.05495	8.0
56.54263	2.4
57.03447	3.7
59.98842	2.5
60.05222	2.1
67.05502	10.1
69.07067	7.3
69.66753	8.7
72.08155	5.0
79.05490	9.0
81.07072	12.9
83.95314	2.7
90.10452	2.6
91.05478	4.9
93.07021	7.7
95.04922	2.5
95.08604	8.1
98.09687	10.4
98.98468	100.0
101.72626	2.4
105.07025	4.6
107.08567	3.5
108.91266	2.2
116.41125	2.6
116.99515	3.3
119.08546	4.2
125.09634	2.7
126.22211	2.2
147.11743	2.7
174.99162	8.7
176.98872	2.7
180.01497	2.6
181.12192	3.2
242.57381	2.5
299.05472	4.5
328.32120	34.8
329.10083	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	328.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
55.71972	0.4
56.05033	4.5
57.03468	0.4
57.07074	0.7
58.06593	0.4
60.04525	13.1
60.05643	0.3
67.05499	3.0
67.85996	0.3
68.05033	0.5
69.07065	1.7
69.30064	0.3
69.33064	2.0
70.06593	0.9
72.04514	1.3
72.08159	0.6
74.06078	100.0
75.06425	0.7
79.05489	1.5
80.05007	0.5
81.07053	2.6
82.06586	0.7
83.08617	1.1
86.06076	0.6
88.07598	0.5
91.05501	0.7
93.07053	1.2
94.06566	0.6
95.04939	0.6
95.08596	2.3
97.07659	0.4
98.98465	20.9
100.07645	0.6
105.07006	0.7
107.08611	0.6
109.10167	0.7
114.10267	0.8
117.66577	0.4
119.08610	0.6
121.10149	0.6
123.11742	0.4
130.08646	0.9
132.11319	1.1
135.11725	0.6
135.12964	0.3
174.99167	1.7
176.98943	0.6
182.31218	0.4
280.26385	1.4
292.26337	0.8
298.27463	0.8
299.05594	0.5
310.27374	1.0
311.12015	0.5
328.28516	5.4
328.32193	2.2
329.10242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33397	0.2
51.16119	0.2
53.03945	0.2
54.49551	0.2
55.05507	2.1
55.25658	0.2
56.05033	4.8
57.07069	0.7
58.02966	0.2
58.06578	0.4
60.04522	12.1
60.51511	0.2
67.05498	3.2
68.05022	0.7
69.07060	1.9
69.26111	0.7
69.26535	0.6
70.06591	0.8
71.08620	0.3
72.04503	1.5
72.10751	0.2
74.06075	100.0
75.06406	0.7
79.05489	1.5
80.05013	0.3
81.07047	3.0
82.06592	1.0
83.08613	1.2
86.06049	1.1
91.05483	1.1
93.07040	1.3
94.06557	0.6
95.08602	2.1
96.08100	0.3
97.06531	0.3
97.10169	0.5
98.98457	10.9
105.07037	0.5
107.08607	0.6
108.08124	0.2
109.10173	0.7
112.07633	0.5
114.10303	0.3
116.99516	0.4
119.08548	0.5
121.10175	0.8
122.09617	0.3
130.08649	0.9
132.11302	1.1
171.57129	0.2
174.99258	1.0
250.25285	0.4
262.25293	0.5
280.26382	1.3
292.26349	0.9
296.12543	0.3
298.27484	0.7
299.05380	0.3
310.27429	1.4
328.24213	0.3
328.28503	6.1
328.32108	0.8
329.10287	0.5
329.28790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
54.33103	0.4
55.05482	0.4
58.89861	0.3
65.79991	0.3
67.05486	0.5
69.07056	0.5
69.47959	1.6
70.06602	0.5
72.08150	0.7
79.05469	0.6
81.07051	0.5
87.04458	1.5
88.07629	0.5
95.08608	0.4
98.03651	0.4
98.98460	60.9
100.07607	0.4
100.98849	0.5
102.09186	0.3
107.08550	0.4
108.02087	9.8
109.46432	0.3
116.99500	1.4
119.08600	0.7
129.01779	0.5
132.05707	6.6
133.06483	10.1
135.04401	5.0
136.01555	5.0
139.00192	0.3
141.06976	0.6
152.01024	0.4
152.05948	0.4
153.01828	0.5
153.06938	0.4
154.02596	7.4
169.06462	2.0
170.02092	0.5
174.99223	4.2
176.98950	2.1
181.01279	0.5
181.06512	0.8
182.07030	0.5
184.08888	0.9
185.48778	0.3
187.14650	0.4
197.05963	1.1
199.02580	0.4
202.87007	0.3
211.07419	0.7
225.05429	0.7
240.07724	4.6
253.04951	0.4
260.98303	0.4
268.07285	43.9
269.07584	2.1
269.12881	1.6
269.22617	0.5
271.05908	2.3
284.06711	1.1
285.07523	2.7
295.05597	0.5
296.06775	39.1
297.07074	2.5
299.05463	3.9
313.06958	3.2
314.07822	12.1
315.08163	0.5
328.32034	0.8
329.10162	100.0
330.10486	5.5
330.30035	1.3
330.33676	0.8
332.51251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1229
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.02375	1.0
53.03940	3.3
54.67799	0.4
55.01871	1.6
55.05513	0.8
57.03431	1.4
61.02919	0.6
65.03928	0.7
67.05496	1.9
67.10468	0.4
67.34099	0.4
69.03424	8.4
69.60900	0.4
70.06586	1.4
70.50817	0.5
71.04980	0.9
71.06907	0.5
71.43782	0.5
73.02931	0.6
73.91438	0.4
77.03910	4.4
79.05481	5.8
80.52993	0.4
81.03402	6.4
81.07048	1.0
83.12490	0.5
84.08168	0.6
85.02895	8.9
86.09708	0.7
87.04485	0.5
91.05474	24.5
91.06047	1.2
93.07036	71.6
94.07367	1.1
95.01315	0.5
95.04959	14.2
95.08602	3.6
97.02889	1.4
97.06520	2.3
98.98457	49.2
99.04450	1.4
103.05479	2.1
105.04511	5.3
105.06972	0.6
107.04956	3.8
109.02858	0.5
109.06519	0.7
111.08066	1.5
118.14268	0.4
119.04961	1.4
121.06494	67.1
121.10131	1.2
122.06804	1.7
123.04400	0.7
123.08044	0.7
123.50211	0.4
127.03886	2.2
131.04919	1.9
136.07556	3.7
137.05968	0.9
139.07520	2.9
145.04897	0.5
145.29877	0.5
149.05963	58.9
150.06342	1.0
167.07021	100.0
168.07333	2.5
174.99225	2.6
176.98900	1.9
177.62857	0.4
208.41992	0.5
311.10919	0.6
329.09998	1.3
329.15717	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
55.05508	5.4
57.03439	6.6
67.05496	18.3
69.03426	47.1
69.03806	2.4
71.01341	2.0
71.31921	1.3
73.02898	2.6
77.03938	1.5
79.05483	17.8
81.03414	4.7
81.07053	19.5
83.01326	1.5
83.04973	3.8
85.02905	2.4
89.02392	2.8
91.05478	32.6
91.06055	2.0
93.07034	18.0
95.04964	6.3
95.08596	48.3
97.02251	2.8
97.02886	56.1
97.06532	2.4
98.98457	79.5
101.02364	1.5
103.05441	3.3
105.04533	2.3
105.07021	100.0
106.07384	2.8
107.04933	8.7
107.08586	9.2
108.05724	2.7
109.06525	14.9
111.04434	4.3
115.03942	4.2
115.05420	1.6
115.22697	1.3
116.99509	1.4
117.06997	2.9
120.45326	1.1
121.06498	4.2
123.08057	32.4
125.02354	14.1
125.06016	2.4
125.09639	4.1
126.40060	1.2
127.03923	1.4
128.06252	1.2
129.07018	3.4
131.04953	1.9
131.08513	2.0
133.06502	12.5
139.07526	2.5
143.03381	8.6
145.06572	1.5
151.07532	51.6
152.07901	1.4
155.08511	1.4
157.06514	2.8
159.08061	2.8
161.04488	5.6
169.08577	24.9
171.02800	2.2
173.06044	1.8
173.09698	1.4
174.99226	6.4
176.98929	5.1
201.09117	2.3
229.08565	1.4
247.09680	4.3
275.08942	2.2
287.25870	1.3
299.05316	1.9
311.11121	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	329.1229
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.08879	1.1
51.42148	1.1
53.03942	3.0
55.01885	2.2
57.03440	2.0
59.08007	1.2
60.14796	1.1
60.36528	1.1
61.02916	2.7
67.05495	3.8
69.03419	9.1
70.62117	2.5
73.02908	2.1
76.84861	1.1
77.03932	2.6
79.05484	5.9
79.68980	1.3
81.03415	35.2
81.07054	2.4
85.02897	17.9
91.05477	16.9
93.07043	42.1
93.27238	1.1
95.04960	11.3
95.08613	6.2
97.02881	4.0
97.06526	4.4
98.98464	43.1
98.99101	2.4
99.04494	1.7
103.05473	2.8
105.04512	3.7
105.07035	5.7
107.04958	2.3
109.02885	9.3
109.06506	2.0
121.06502	58.4
122.06829	1.8
123.08050	3.4
127.03917	4.7
129.38959	1.3
131.04912	1.1
133.06468	6.9
137.05989	1.3
139.07574	3.9
145.04906	3.0
149.05975	48.3
151.07567	9.9
167.07030	100.0
168.07466	2.3
174.99226	5.2
206.28853	1.2
236.48996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1594
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
50.20201	1.0
53.03944	2.3
55.05504	1.6
57.03412	1.8
59.05007	1.1
61.02912	1.3
64.85827	1.0
67.05496	3.6
69.03433	8.2
69.07073	1.8
70.68853	1.9
72.08162	1.4
73.02911	1.1
77.03909	1.3
78.45724	0.9
79.05495	11.2
81.03418	2.8
81.07053	14.7
81.08521	1.1
83.04988	1.8
84.73846	0.9
85.02891	9.1
91.05486	6.7
92.54295	0.9
93.07045	29.3
93.07612	2.2
95.04979	3.6
95.08608	10.1
97.02892	3.4
97.06521	2.8
98.98466	100.0
100.98893	1.1
105.00443	1.3
105.07034	10.6
107.08606	7.2
107.75175	1.0
109.02899	1.8
111.08098	2.1
116.99532	1.8
119.08577	4.5
121.06556	1.3
121.10144	89.1
122.10497	2.0
123.08051	2.2
123.11708	8.3
124.68241	1.3
125.05984	6.5
127.03909	4.2
131.08539	3.0
133.07561	1.4
136.07625	1.6
139.11153	5.2
145.10167	1.5
149.09625	11.0
167.10654	11.9
174.91583	1.0
174.99197	9.1
176.99007	4.0
181.04982	1.5
299.05441	3.1
329.10294	3.9
329.15704	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	329.1744
Annotation	Crocetin
Peak:m/z	Relative Intensity
53.03938	1.7
53.87031	1.3
55.01861	6.4
55.05497	6.4
57.03432	11.3
57.50739	1.6
65.03931	4.2
67.05490	11.6
69.03419	5.6
69.07052	4.8
69.35852	8.2
71.04980	2.0
72.08144	4.8
73.08476	2.5
77.03951	1.4
79.05496	11.1
81.03410	5.4
81.07060	14.0
83.04974	9.8
91.05481	9.2
93.07027	10.1
95.04969	25.0
95.08607	8.7
97.02858	3.8
97.06537	3.1
97.07658	3.7
98.07997	1.6
98.23469	3.4
98.98459	100.0
99.04425	1.8
105.07010	17.0
107.04944	5.8
107.08595	7.6
109.06525	11.9
109.10156	3.5
111.04416	6.4
114.10276	3.7
115.05515	1.6
115.10591	3.7
116.68540	2.2
117.06994	3.8
119.08560	14.1
121.02863	6.1
121.06500	7.4
121.10101	5.7
123.08052	5.8
128.06198	4.4
129.06992	5.2
130.07774	1.9
131.08569	8.2
133.06477	3.6
133.10112	15.9
135.08029	12.3
135.11682	2.4
137.09567	3.1
139.03923	1.8
139.11111	1.7
141.06950	4.1
142.07722	3.7
143.08537	13.4
144.09326	2.4
145.06465	5.5
145.10098	11.2
147.08040	9.1
147.11684	6.6
149.05977	3.2
149.09630	8.4
151.07576	4.1
151.11188	2.3
151.91341	1.5
153.06990	1.8
154.07738	1.8
155.08542	5.4
156.09315	3.2
157.06480	1.9
157.10103	11.0
159.08080	5.8
159.11649	8.7
160.08855	3.4
161.09599	15.8
161.13232	2.0
162.10474	1.6
163.07494	2.1
163.11179	3.4
165.06976	2.3
165.09090	1.8
167.07106	2.8
167.08528	3.6
168.09428	2.0
169.10112	8.2
170.10927	4.0
171.07968	2.1
171.11684	14.8
172.08789	1.5
173.09630	7.4
173.13242	3.5
174.10365	3.2
174.99179	9.4
175.07426	2.0
175.11185	13.9
176.98878	4.8
177.09157	2.8
177.12764	3.3
179.08566	3.8
179.10721	1.5
181.10066	7.0
182.10928	2.0
183.08089	2.7
183.11729	6.3
184.12425	2.0
185.09583	7.2
185.13248	14.6
187.11221	8.0
189.09138	3.3
189.12729	18.6
190.13573	1.9
191.10652	2.6
191.14296	1.9
193.10190	3.6
195.08084	2.6
195.11737	8.2
196.06895	4.9
196.12543	1.7
197.07126	7.6
197.09612	3.8
197.13329	3.2
198.07303	8.9
199.11179	6.1
199.14868	5.8
200.11876	2.0
200.15561	6.2
201.12721	3.7
203.10558	2.4
203.14276	3.2
205.12212	6.1
207.11772	2.4
207.13849	1.6
209.09662	2.7
209.13182	10.1
210.10291	2.1
211.11214	5.8
211.14803	3.6
213.09422	1.7
213.12778	9.5
214.13362	2.7
215.10730	3.4
215.14287	4.1
217.12273	5.6
218.13203	2.2
219.13715	5.5
223.11253	2.4
223.14818	4.4
225.12801	2.2
227.10713	3.5
227.14217	12.7
231.13818	3.1
237.12785	2.0
237.16338	3.5
239.14299	4.0
241.15916	4.2
245.11742	3.4
245.15385	4.7
247.14790	1.9
251.14348	3.0
252.99728	2.2
253.12479	1.6
255.13792	5.0
255.17441	3.9
257.11801	2.9
265.15918	6.9
269.15399	4.7
271.13269	1.8
273.14954	3.5
283.16888	13.8
287.16299	7.2
293.15289	3.7
299.05496	2.6
301.17902	10.0
311.16357	22.5
329.17490	80.0
330.17841	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	329.1744
Annotation	Sobetirome
Peak:m/z	Relative Intensity
53.03933	0.8
55.01867	3.6
55.05508	4.3
57.03178	0.7
57.03439	7.7
60.84294	0.5
65.03939	1.8
67.05161	0.6
67.05503	8.8
69.03429	3.1
69.07064	1.9
69.13686	2.6
69.16118	0.4
71.04987	1.4
72.08149	1.3
73.08475	0.9
73.45796	0.6
77.01572	0.6
77.03923	0.9
79.05491	4.9
80.36608	0.4
81.03407	3.3
81.07063	3.6
83.04978	11.2
83.08613	1.2
91.05474	7.3
93.03412	1.4
93.07044	6.5
95.04967	5.5
95.08590	2.4
97.02872	1.5
97.06532	2.3
97.07645	0.9
98.22733	1.1
98.98463	100.0
99.04432	0.8
100.98863	0.5
105.07026	8.1
107.04951	3.0
107.08601	4.2
109.06525	3.2
109.10136	0.9
111.04438	24.7
111.08063	0.5
112.04726	0.5
112.07620	0.5
114.10284	1.4
115.05450	1.8
115.10632	0.8
116.06299	0.5
116.99496	2.0
117.07005	4.0
119.08599	6.4
121.06495	5.4
121.10145	1.9
123.04421	1.0
123.08067	4.6
123.11684	0.6
125.06002	0.9
125.09628	2.0
128.06168	2.6
129.07014	4.4
130.07770	0.5
131.04935	0.6
131.08549	6.2
133.03221	0.4
133.06490	1.9
133.10118	4.5
134.07237	0.4
135.04411	0.6
135.08035	4.0
136.08774	0.7
137.05984	2.9
137.09605	4.6
139.03900	18.3
139.07564	2.7
140.04239	0.5
141.06973	2.4
142.07782	3.4
143.08545	8.6
144.09319	1.0
145.06467	3.1
145.10124	4.2
146.07239	1.2
147.08066	3.5
147.11673	2.1
148.08791	1.2
149.05972	0.7
149.09610	3.4
151.07541	1.5
151.11180	0.9
153.01837	0.6
153.06958	1.3
154.07835	0.5
155.08563	4.1
156.09363	2.7
157.06488	1.0
157.10126	11.4
158.07249	1.2
158.10899	2.4
159.08034	5.5
159.11691	2.6
160.08817	3.2
161.05971	1.6
161.09612	14.3
161.13219	0.6
162.10129	0.8
163.07550	0.6
163.11194	3.4
165.07014	1.5
165.09186	0.7
166.07748	1.0
167.07228	0.5
167.08556	2.1
168.09338	0.9
169.06538	0.8
169.10056	3.8
170.10851	1.7
171.08029	2.2
171.11690	8.9
172.08829	3.0
172.12480	1.3
173.05983	1.2
173.09622	5.2
173.13240	1.9
174.10370	1.3
174.99223	7.5
175.07487	1.3
175.11191	7.4
175.99576	0.5
176.11972	2.9
176.98911	3.6
177.09082	1.2
179.07060	0.6
179.08578	1.4
180.09343	1.4
180.10976	0.4
181.08647	0.8
181.10110	3.3
182.10779	0.6
183.08067	1.0
183.11667	2.8
184.12405	0.5
185.09622	6.6
185.13225	4.2
186.10358	1.7
186.14043	10.8
187.07590	1.5
187.11165	1.7
187.14726	0.5
189.09178	3.1
189.12733	11.0
190.09723	1.0
190.13402	0.9
191.10619	1.0
191.14342	1.1
193.10143	2.0
194.10873	1.1
195.08057	0.6
195.11649	3.2
196.06816	1.0
196.12404	2.2
197.07101	2.4
197.09564	1.2
197.13173	1.3
198.07339	2.1
199.11154	8.0
199.14809	1.0
200.11888	1.9
201.05254	0.6
201.09113	0.9
201.12656	2.8
203.07004	1.3
203.10608	2.4
203.14330	0.9
204.09674	0.6
204.11438	2.8
204.15143	0.7
205.08578	6.9
205.12021	0.6
207.08238	0.5
207.11661	1.0
208.12325	0.5
209.09731	0.7
209.13181	2.4
211.11250	1.5
213.09193	0.8
213.12679	4.1
214.13513	15.6
215.10675	1.3
215.14111	1.8
217.04947	3.9
217.08607	1.6
217.12207	3.5
219.09981	0.8
219.11874	0.9
219.13722	0.7
222.10258	0.7
223.11263	1.2
223.14728	1.1
225.12735	0.9
227.10652	1.8
227.14253	1.9
229.12231	1.2
231.10178	1.0
231.13708	1.4
232.12447	0.7
232.14558	1.5
233.11688	1.8
237.12778	1.5
237.16402	1.3
239.10652	1.3
239.14197	0.9
241.12221	1.5
241.15848	0.7
242.12674	0.5
243.13745	0.5
245.11685	5.0
245.15471	1.3
247.09660	1.2
247.14845	0.8
250.13496	0.5
250.99977	0.5
251.10471	1.0
251.14299	0.9
252.99770	0.6
253.12343	0.5
255.10117	0.7
255.13794	4.0
255.17319	0.6
257.11676	4.1
259.13248	1.5
265.12619	0.6
265.15857	2.8
267.13840	0.6
269.11990	2.9
269.15173	3.9
271.13196	0.8
273.11633	0.6
273.14813	7.4
283.13312	1.4
283.16855	8.1
285.14584	0.5
287.12766	2.8
287.16336	1.8
293.15262	3.0
299.05438	2.4
301.17783	2.4
311.12973	0.6
311.16367	16.2
312.16705	1.5
315.04080	0.5
329.10092	3.3
329.14398	2.2
329.17462	60.0
330.17761	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	329.1745
Annotation	Sobetirome
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	2.1
55.05508	3.6
57.03426	4.4
65.03920	0.9
66.49784	0.6
67.05495	6.4
69.03422	2.0
69.07058	2.3
70.92986	1.0
71.04984	1.0
79.05493	4.2
81.03404	2.2
81.07047	5.3
83.04975	7.2
83.08601	1.5
85.06540	0.6
91.05482	5.9
93.03364	0.9
93.07030	6.4
95.04964	4.7
95.08617	2.6
97.02889	1.6
97.06529	3.4
98.98460	100.0
100.98892	0.6
105.07035	5.8
107.04973	1.4
107.08591	3.9
109.06520	2.8
109.10246	0.7
111.04433	11.2
111.08069	1.1
115.05449	1.3
116.06135	0.7
116.99512	2.7
117.07019	2.6
119.08582	5.7
121.06489	3.6
121.10117	2.1
123.08060	2.5
123.11663	0.7
125.09601	1.5
128.06229	1.7
129.07011	2.7
131.04948	0.6
131.08551	3.8
133.06488	1.9
133.10135	4.1
135.04451	0.6
135.08026	4.4
135.11684	0.9
137.05954	1.8
137.09598	3.2
139.03883	7.7
139.07550	2.3
141.07010	1.4
142.07761	2.4
143.08545	6.3
145.06479	1.6
145.10121	2.6
146.07219	0.7
147.08028	2.4
147.11668	2.0
148.08844	1.5
149.05872	0.6
149.09592	3.7
149.13264	1.7
151.07512	1.5
151.11169	1.2
154.07764	0.8
155.08556	1.8
156.09351	2.4
157.06488	0.9
157.10127	7.7
158.07217	0.7
158.10875	1.7
159.08043	2.9
159.11693	2.3
160.08853	2.8
161.09627	7.3
163.03906	0.9
163.07561	0.6
163.11150	1.8
165.07047	1.1
166.07637	0.5
167.08514	1.1
169.10104	2.4
170.10898	1.2
171.08017	1.8
171.11667	6.1
172.08893	0.9
173.09587	2.8
173.13271	1.2
174.10385	1.0
174.99191	7.5
175.07495	0.9
175.11176	6.2
176.11934	2.1
176.98901	3.4
177.09079	1.3
177.12732	1.0
179.08557	1.0
180.09302	0.7
181.10095	2.5
183.11671	2.5
184.08875	0.8
185.09616	4.0
185.13202	3.9
186.10388	0.9
186.14053	4.8
187.07475	0.9
187.11136	2.3
189.09082	2.8
189.12717	8.8
190.13347	0.6
193.08522	0.8
193.10106	1.2
194.10931	1.2
195.11731	2.1
195.13696	0.9
196.12413	1.4
197.09612	1.2
197.13234	1.2
199.02669	0.6
199.07605	0.8
199.11168	6.5
200.11954	1.6
200.15535	0.6
201.09111	0.9
201.12738	2.1
203.06958	0.6
203.10654	2.1
204.11472	2.2
205.08549	3.3
205.12201	0.9
207.11633	0.7
209.13257	2.2
211.11148	1.4
211.14937	0.7
213.12695	3.8
214.13522	9.7
215.10683	1.2
215.14214	1.2
217.08641	1.6
217.12262	2.4
219.10052	1.1
219.13589	0.7
221.09506	0.7
223.11137	1.4
223.14839	1.1
227.10619	1.3
227.14258	2.1
229.12222	1.0
231.13878	1.7
232.14574	0.8
233.11798	0.8
237.12657	0.7
237.16393	0.8
239.14169	1.0
241.12289	1.3
243.10083	0.8
245.11583	2.8
245.15425	1.1
247.09706	1.0
251.14320	0.6
253.12206	0.8
255.13860	3.1
257.11639	3.6
259.13312	1.8
265.15808	2.0
269.11740	1.6
269.15359	2.3
273.14853	4.8
283.13281	1.0
283.16861	6.7
287.12689	2.1
287.16370	1.8
293.15384	1.9
299.05389	2.1
301.17932	1.5
311.16391	11.5
329.10190	3.3
329.17422	38.8
330.17752	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	329.1748
Annotation	Triptoquinone A
Peak:m/z	Relative Intensity
53.03935	1.8
55.01874	8.3
55.05512	9.4
57.03439	11.8
57.07066	3.2
59.04997	3.8
65.03931	3.4
67.05505	14.6
69.03419	5.1
69.07074	22.7
69.53095	3.7
69.53502	4.3
71.04992	3.4
77.03934	1.9
79.05505	10.1
81.03407	6.9
81.07053	16.3
83.04980	18.9
83.08627	2.9
85.06560	1.8
91.05470	16.0
93.07043	16.3
95.04964	16.4
95.08611	7.7
95.35841	1.5
95.69937	1.4
97.02875	6.2
97.06529	38.8
98.22682	3.1
98.98466	98.9
99.04447	4.6
103.05504	1.6
105.07035	20.2
107.04954	8.7
107.08612	13.6
109.05822	2.2
109.06510	15.3
109.10143	8.9
111.04443	17.2
111.08116	2.4
113.06071	1.4
115.05428	2.0
116.06164	1.4
117.07027	7.5
119.08588	17.6
121.02884	4.3
121.06499	9.9
121.10122	5.4
123.08069	9.2
123.11700	6.6
128.06189	5.4
129.07014	8.1
131.04942	1.9
131.08578	17.8
133.06485	6.3
133.10141	23.2
135.08044	44.3
135.11685	3.6
137.05980	2.2
137.09621	2.6
139.03929	3.7
141.06972	5.1
142.07770	6.1
143.08563	17.6
144.09265	1.8
145.06485	6.4
145.10152	14.0
147.08025	10.8
147.11690	6.8
148.08791	1.5
149.05972	2.3
149.09628	18.3
149.13249	2.1
151.07539	2.0
151.11172	4.3
155.08530	7.2
156.09297	6.3
157.06558	1.7
157.10133	17.9
158.07246	3.3
158.10831	2.0
159.08058	13.5
159.11703	9.8
160.08806	4.6
161.05988	2.7
161.09619	27.4
161.11960	1.5
161.13272	5.0
162.10249	2.8
163.07547	3.4
163.11194	4.5
165.06972	4.4
165.09135	2.2
166.07857	1.5
167.07173	3.2
167.08578	5.9
168.09354	1.8
169.06485	1.7
169.10150	9.6
170.10931	4.6
171.08063	8.5
171.11697	20.1
172.08842	3.8
173.09616	21.8
173.13254	9.5
174.10400	4.5
174.99222	6.4
175.07520	3.2
175.11185	14.0
176.11917	1.6
176.98909	2.5
177.09045	3.8
177.12766	2.8
179.08525	4.0
179.10515	2.1
181.10123	9.6
183.08038	2.3
183.10252	1.7
183.11595	6.9
184.08812	2.7
184.12436	1.8
185.09627	16.7
185.13237	14.0
186.10394	4.8
187.07684	1.7
187.11212	13.1
187.14815	2.0
189.09108	5.0
189.12735	23.8
191.10634	3.7
191.14340	2.2
193.10173	3.6
194.10938	3.4
195.08015	2.3
195.11736	7.5
196.08929	1.8
196.12476	2.0
197.09578	7.5
197.13272	6.4
198.10381	4.2
199.07521	1.8
199.11157	21.3
199.14827	6.0
200.11905	6.2
200.15584	3.9
201.09059	2.7
201.12735	10.7
203.10677	4.8
203.14348	6.4
205.08521	3.5
205.12286	3.3
207.11723	2.2
207.13809	2.1
208.12439	2.6
209.09607	4.1
209.13278	6.2
210.10449	1.7
211.11160	5.0
213.09093	2.8
213.12712	20.6
213.16228	1.9
214.13496	9.2
215.10660	5.9
215.14308	5.1
217.12250	8.6
218.13063	2.8
219.10114	4.1
219.13875	3.6
222.10316	1.7
222.14082	2.0
223.11136	4.7
223.14766	4.8
225.12770	5.8
226.13654	1.8
227.10696	10.1
227.14256	13.5
229.12105	2.3
229.15858	3.1
231.10236	2.7
231.13763	8.8
233.11700	2.6
233.15398	3.9
237.12779	3.3
237.16434	4.5
239.10791	2.4
239.14294	3.4
241.12273	4.3
241.15837	6.7
243.10094	2.6
243.13780	2.2
245.11754	21.7
245.15315	10.1
247.14835	2.6
250.13550	2.1
251.14304	3.8
255.13768	5.4
255.17464	5.5
257.15366	2.7
259.13324	3.5
259.16956	2.5
265.15942	7.8
267.13852	2.3
269.11591	2.3
269.15329	6.6
271.13287	5.5
273.15002	3.4
273.18552	2.6
283.16904	20.9
287.16409	13.0
293.15356	6.1
296.96561	1.6
299.05426	3.3
301.17981	12.9
311.16428	34.7
312.16809	2.7
329.17453	100.0
330.17737	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	329.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25266	1.0
57.07071	3.3
57.90093	1.1
70.06590	3.2
81.07063	1.4
88.07615	3.9
95.08604	1.7
98.98466	100.0
102.09152	1.2
104.99268	1.5
106.08677	2.6
107.08621	1.2
116.99503	2.5
128.98007	1.0
132.11267	1.1
153.01924	1.3
158.42029	1.0
174.99191	7.2
176.98967	3.5
189.14854	1.2
194.94966	1.1
199.02342	2.4
268.07373	1.3
271.06073	2.5
299.05447	8.9
312.32526	1.4
329.10223	15.8
329.20859	85.7
330.21106	4.4
330.30066	1.6
330.33710	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	329.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55334	1.2
55.05498	1.6
57.07059	5.2
61.02901	3.5
68.99774	8.8
70.00953	1.1
70.06561	1.9
79.05464	1.4
81.07047	2.0
93.07042	2.3
95.08583	3.6
98.98454	80.9
105.07024	3.4
106.08655	1.3
107.08605	1.9
109.10113	2.2
111.00807	7.9
116.99502	3.3
119.08568	1.9
124.73376	1.2
129.01828	42.3
130.61087	1.1
131.08580	1.8
133.10080	2.0
139.00250	11.3
145.10130	1.4
147.11703	1.5
157.01309	17.3
159.11650	2.0
173.13283	1.2
174.99188	6.7
176.98917	1.6
185.08124	9.7
213.16382	1.7
239.15445	1.1
269.22604	7.3
271.06006	1.4
299.05441	5.7
329.10162	9.1
329.20825	100.0
330.21078	6.1
330.33582	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	329.2474
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03937	2.8
55.05509	21.8
57.07079	12.7
67.05504	25.1
69.07066	18.7
69.36285	9.1
70.06584	11.9
71.08629	4.0
72.08153	2.3
79.05489	21.8
79.90075	1.6
81.07051	71.3
83.08605	6.7
84.71548	1.6
86.44200	1.7
88.07637	13.4
91.05476	14.2
93.07037	28.7
95.08604	61.1
96.08934	2.2
97.10164	9.1
98.23521	1.8
98.98464	67.2
102.09205	4.9
105.04516	2.0
105.07025	32.7
106.08673	7.4
107.08588	30.4
109.06428	2.2
109.10147	34.4
115.07578	2.7
117.06982	10.0
119.07745	3.4
119.08571	52.4
121.10135	36.3
123.11693	14.2
128.06215	4.0
129.06996	9.3
130.07762	2.9
131.08551	21.3
133.10129	34.7
135.11681	13.5
137.13206	3.0
141.06947	2.1
142.07771	8.5
143.08548	30.7
144.09302	6.0
145.10123	64.9
146.45918	1.8
147.11674	23.0
149.13231	6.6
152.98615	2.2
155.08482	2.9
156.09323	14.4
157.10118	53.9
157.11395	2.9
158.10854	9.2
159.10371	3.4
159.11687	60.2
159.12962	4.0
160.11989	2.2
161.13258	31.1
163.14812	2.3
169.10103	4.1
170.10880	12.6
171.11679	54.6
172.12506	9.4
173.13249	59.9
174.13953	4.2
174.99312	4.7
175.14806	15.9
176.98906	2.5
183.11691	6.1
184.12462	8.2
185.13246	61.0
186.13983	2.6
187.14810	69.5
188.15564	12.5
189.16429	3.0
194.73230	2.0
197.13177	5.7
198.14043	3.1
199.14815	61.0
200.15361	3.2
201.16321	17.5
202.89957	1.8
211.14830	5.8
211.17233	1.7
213.16379	44.8
214.17017	5.8
215.17978	2.7
220.77621	1.8
225.16371	2.8
226.17094	4.4
227.17960	25.5
241.19493	50.5
242.19980	4.3
243.21033	7.8
245.66072	1.9
259.16940	2.8
269.22629	96.9
270.23056	7.4
287.20059	2.7
299.05383	2.2
302.59726	2.1
312.32623	6.2
325.16296	1.9
329.10052	3.5
329.24722	100.0
330.25131	8.1
330.29581	4.6
330.33618	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	330.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01867	1.5
55.05508	14.1
56.05021	2.3
57.03432	1.7
57.07076	1.1
64.32405	0.8
65.03918	1.0
67.05502	48.5
69.03410	1.3
69.07064	14.7
70.06586	5.0
70.67983	1.4
71.04992	8.3
72.08144	1.5
77.03905	1.0
79.05492	30.8
81.07053	80.1
83.04982	5.9
83.08612	10.5
84.08136	4.2
85.06538	4.2
91.05473	24.7
93.07038	20.9
95.04946	3.4
95.08599	83.7
96.08120	1.2
96.08942	2.1
97.06533	17.1
97.10162	3.4
98.09681	2.0
98.98456	22.6
99.08089	5.3
105.04518	1.6
105.06347	1.6
105.07026	22.3
107.08579	8.1
109.10150	7.3
111.08081	4.2
112.11250	1.3
113.09624	3.1
119.08575	20.9
121.10156	5.1
123.08002	1.5
125.09660	1.6
131.08554	1.1
133.10120	16.1
135.11702	4.1
137.09605	2.2
137.13277	2.0
149.13254	4.0
161.13246	25.7
176.98927	1.4
178.15872	2.8
179.14276	12.2
180.14679	0.9
196.16959	66.8
197.17331	2.8
214.17993	32.7
214.20071	1.3
243.25383	1.1
312.17932	1.5
330.19083	100.0
331.19464	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01871	4.7
55.05507	61.8
56.36311	2.4
56.97062	2.4
57.03428	9.6
57.07047	3.2
59.08549	2.3
59.56129	2.4
61.57455	2.3
67.05501	33.2
69.03433	8.5
69.07060	19.5
69.27118	15.7
70.05042	2.5
71.08630	9.9
76.38310	2.2
79.05481	20.8
81.03416	31.7
81.07050	24.3
83.04976	7.3
83.08617	38.8
85.06549	4.1
87.04465	4.4
91.05485	5.9
93.07018	13.1
95.04953	36.5
95.08605	8.7
97.06528	3.0
97.10163	79.9
97.43053	2.0
98.98459	71.2
99.08109	5.4
105.07025	11.3
107.08597	24.9
109.06522	6.6
109.10136	14.8
117.06980	2.3
119.08575	7.7
121.06467	4.0
121.10168	5.0
123.04416	3.0
123.08077	4.7
125.08710	4.0
125.09621	71.1
131.08540	2.9
133.10152	8.4
135.08054	10.3
135.11638	6.7
142.76619	2.4
143.08536	3.7
145.10114	7.3
147.08035	4.2
147.11732	4.5
149.13335	3.0
151.11179	14.0
153.09048	3.5
157.10091	2.5
161.13260	5.4
163.11172	2.9
171.10178	8.4
171.11563	2.8
173.13277	8.0
174.99220	7.0
176.98906	4.0
178.38432	2.7
179.10710	6.8
179.14330	2.4
189.09494	5.4
189.11208	100.0
190.11534	3.5
191.14259	14.1
209.15367	14.3
241.19487	4.7
259.20425	2.5
277.21609	58.0
278.22113	2.8
295.22604	8.5
313.17950	4.1
330.20810	4.4
330.30029	4.9
330.33557	4.6
331.19022	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.61858	2.7
55.01863	5.9
55.05515	23.6
56.05046	2.9
56.71302	2.8
57.03438	10.8
57.07072	9.5
67.05506	70.5
69.03442	4.3
69.07072	25.7
69.84473	11.0
70.06590	7.2
71.04983	4.1
71.08623	6.8
72.08156	6.9
79.05493	25.5
81.03416	23.8
81.07060	43.3
83.04990	10.3
83.08623	15.5
85.06547	5.8
87.04461	17.4
88.07627	7.9
91.05470	19.1
93.07043	29.2
95.04968	24.6
95.08619	28.0
97.06531	7.3
97.10169	11.7
98.98467	100.0
99.08109	3.4
101.06004	6.0
105.07049	17.5
107.08609	14.0
108.98835	3.0
109.06523	4.9
109.10153	35.7
111.08080	9.0
117.07014	4.8
119.08586	16.7
121.10145	11.3
123.08064	5.2
123.11694	7.9
125.09631	13.1
131.08510	7.1
133.10155	11.3
135.11699	9.9
137.09615	7.5
137.13200	3.5
139.11171	11.0
145.10162	5.6
149.13264	6.7
151.11214	6.8
154.12271	5.3
155.10699	9.5
157.10184	5.5
161.09567	4.2
161.13278	6.7
163.11143	3.0
163.14804	3.9
172.13385	10.3
173.11769	20.7
173.13182	4.7
174.99252	5.3
176.98933	8.3
179.10657	6.8
180.99046	3.0
189.11200	3.0
191.14328	8.9
193.12247	7.6
194.70952	3.1
209.15384	11.0
211.13199	6.8
229.33421	3.6
268.30215	3.6
270.27905	4.3
277.21661	23.0
295.22699	10.3
330.10574	5.8
330.20572	7.6
330.29968	17.7
330.33743	14.2
331.18799	61.5
337.80768	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20456	3.0
53.03942	3.2
55.01874	12.7
55.05509	26.4
57.03430	14.3
57.07085	15.4
58.06606	7.5
59.14725	2.8
59.22325	2.9
65.03938	4.9
67.05163	5.2
67.05503	67.8
69.03415	4.7
69.07068	18.7
69.61182	8.7
69.61573	6.6
71.05002	7.4
71.08635	7.9
72.08160	22.0
75.96137	2.9
79.05492	23.6
81.03413	85.5
81.07049	38.7
82.37604	3.3
83.05003	6.4
83.08628	17.3
85.06525	4.3
87.04475	12.0
88.07606	7.6
91.05471	19.8
93.07042	24.5
95.04965	100.0
95.08596	25.2
97.06528	10.6
97.10174	12.4
98.23407	4.4
98.98466	61.9
99.04456	6.0
99.08094	3.7
101.06019	15.4
103.62908	2.8
105.07050	20.9
107.04958	6.5
107.08591	20.3
109.06509	19.6
109.10152	31.6
111.08109	7.3
117.07005	9.5
119.04934	5.0
119.08566	23.9
121.06510	12.1
121.10164	8.4
123.04421	4.6
123.08070	11.2
123.11714	9.9
125.09654	10.5
128.06314	3.0
129.06981	6.1
131.04929	2.8
131.08549	11.5
133.06512	11.2
133.10118	15.2
135.08057	20.8
135.11719	7.5
137.06027	5.0
137.09616	21.9
139.11189	7.3
141.06981	3.7
143.08565	13.2
145.06493	13.7
145.10133	10.0
147.08073	11.5
147.11703	12.3
149.09645	13.4
151.07495	6.1
151.11206	12.7
154.12337	3.5
155.08568	5.4
155.10674	5.7
156.09410	3.7
156.17464	14.7
157.10138	10.2
159.08092	9.7
159.11678	9.9
161.06039	5.4
161.09628	23.7
161.13225	6.4
163.07553	7.8
163.11197	7.7
165.09189	4.6
169.06387	4.0
169.10143	8.4
170.18990	7.5
171.08064	4.3
171.11662	7.4
173.09604	7.2
173.11787	12.7
173.13202	7.3
175.11214	8.5
177.09166	17.6
177.12764	6.1
179.07135	6.0
179.10674	10.6
183.08034	5.6
183.11707	7.8
185.09644	10.7
185.13269	4.2
187.07515	5.5
187.11206	5.9
189.09096	18.3
189.11205	6.9
189.12756	5.2
191.14337	10.3
193.10255	3.3
193.12263	5.4
197.09607	7.0
197.13341	3.5
199.11209	11.2
200.11774	3.2
201.09038	5.3
201.12762	2.9
203.10710	7.9
205.12321	8.5
207.08534	3.1
207.10063	15.8
209.09665	5.6
209.15425	8.6
211.11198	16.5
211.13098	4.5
213.12680	4.0
215.10785	7.2
215.14314	6.2
219.13716	5.9
225.12675	11.3
227.10674	8.8
227.14384	4.1
229.12286	8.3
229.15871	3.6
243.13733	6.7
245.11745	3.4
249.14713	3.3
253.12308	7.7
253.15887	7.2
256.26389	4.9
257.15225	5.2
267.17453	8.6
268.29953	25.7
270.28085	3.9
271.13345	23.8
271.16937	14.2
277.21661	13.1
285.18549	10.3
288.13712	10.6
295.16925	8.8
295.22580	6.5
313.18048	30.4
319.90823	3.6
330.10587	3.9
330.20554	6.3
330.29938	26.7
330.33664	95.6
331.19037	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05501	6.3
56.05008	1.7
57.03427	7.6
57.07078	2.2
58.06617	2.0
59.04994	2.4
65.60101	1.5
67.05501	28.7
69.07069	6.6
69.47860	4.3
69.48266	6.6
69.79013	1.8
70.06596	2.3
72.08158	4.4
74.06086	2.6
79.05503	6.8
80.60226	1.7
80.76222	1.9
81.03416	28.8
81.07047	13.7
83.04973	3.5
83.08605	3.1
87.04462	14.8
87.44666	1.9
88.07643	5.9
91.05466	7.0
93.07053	9.1
95.04960	26.0
95.08603	9.7
97.06512	2.7
98.98462	100.0
100.98856	3.1
101.06013	5.1
102.09175	2.1
104.99290	1.9
105.07029	6.9
107.08598	6.9
109.06504	5.6
109.10149	18.5
111.08054	1.9
116.99516	3.4
117.07018	2.1
119.08560	7.1
121.10181	4.2
123.04404	2.5
123.08064	2.3
123.11700	3.2
125.09660	3.0
131.08540	3.1
133.10107	3.6
137.09628	2.7
143.08571	2.6
145.10150	4.5
147.11713	2.3
151.11192	9.3
155.10707	2.7
167.14301	2.0
171.11633	2.4
173.09589	2.5
173.11728	14.7
173.13130	3.9
174.99300	3.1
176.98969	5.5
179.10692	5.0
180.46512	1.9
191.14305	9.2
209.15279	9.6
256.26349	3.7
257.15591	2.5
268.29919	4.4
270.27847	4.1
277.21609	3.3
300.05902	3.2
313.18048	5.8
316.64807	2.2
330.10306	3.8
330.20981	8.9
330.30002	12.7
330.33676	9.2
331.18854	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	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
53.48803	0.3
57.07073	8.5
58.06597	0.7
62.06076	0.8
69.19617	0.7
69.20023	1.6
70.06591	12.4
71.08628	3.4
85.10195	1.8
88.07628	18.7
90.38297	0.3
98.23454	0.6
98.98461	0.5
102.09176	4.7
106.08663	8.9
106.58899	0.3
172.18799	0.4
177.40137	0.3
268.30078	0.4
286.31018	0.8
312.32529	6.4
313.32458	0.5
325.22064	0.4
330.33633	100.0
331.33948	7.0
339.23267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75890	0.8
63.96539	0.9
63.97390	0.9
66.55874	0.9
70.09078	2.1
77.01166	1.4
83.01095	2.0
84.01878	2.0
84.08150	1.0
85.02927	2.0
86.09699	1.4
95.01066	5.7
98.98463	17.1
100.00473	1.0
100.98869	1.0
106.03792	3.1
107.04568	10.4
108.08090	8.9
109.03755	4.5
112.01323	2.4
113.02096	5.3
119.10925	0.9
123.04035	6.1
136.07553	1.5
139.02318	1.1
141.05171	1.1
144.93382	0.9
147.07582	1.4
148.68062	1.0
152.07051	7.0
153.03831	25.7
157.04695	1.8
159.04898	1.4
176.99030	1.8
185.04243	8.4
191.05312	1.1
196.05632	1.2
201.03671	8.1
202.04425	1.4
209.06360	0.9
230.06337	100.0
231.06638	2.1
285.09274	11.0
287.08475	9.8
314.12283	2.9
331.08569	98.3
332.08743	3.2
332.13568	3.2
341.27991	1.0
350.92328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.17939	0.3
54.67134	0.3
55.05508	11.2
57.03415	0.5
58.51641	0.3
61.02922	1.7
67.01854	0.3
67.05505	0.3
68.99783	2.8
69.03435	2.2
70.66863	0.4
71.04979	0.4
73.35182	0.3
81.03413	4.9
83.04975	100.0
84.05315	1.2
85.02901	2.3
85.22136	0.3
87.00827	1.4
91.05470	0.4
95.04960	0.9
97.02901	1.6
98.98458	15.8
99.04462	0.8
100.98885	0.3
101.06033	1.7
105.01928	0.4
107.04963	0.3
107.08586	0.5
109.02866	4.4
109.06454	0.4
117.07006	0.4
121.06429	0.3
127.03908	4.9
129.01823	2.9
135.08072	0.3
139.07520	0.3
147.02875	1.5
160.49240	0.3
163.07581	0.8
167.07042	0.7
173.13286	0.4
174.99197	0.7
176.98923	1.2
181.06497	0.3
191.07016	0.9
191.14313	0.5
209.15364	0.6
213.03819	0.5
227.09065	0.7
248.72992	0.3
331.10303	0.8
331.18954	0.7
332.11188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1386
Annotation	Bartsioside
Peak:m/z	Relative Intensity
52.93133	0.4
53.03939	1.8
55.01867	1.4
55.05507	4.1
57.03428	2.0
61.02914	0.9
65.03928	0.8
67.05157	0.8
67.05499	9.2
68.42382	0.4
69.03421	7.9
70.11577	0.9
70.11926	0.8
71.04983	1.8
72.08141	1.8
73.02904	1.1
77.03917	0.8
79.05042	0.9
79.05487	11.7
81.03415	6.2
81.07050	16.3
83.04982	1.8
85.02898	14.3
85.03413	0.7
85.06514	0.5
86.06046	0.4
87.04443	0.7
91.05471	30.4
93.07035	12.6
95.04958	2.7
95.08598	30.4
96.08900	0.6
97.02878	2.3
97.06518	1.5
98.06030	0.9
98.98458	15.2
99.04454	3.1
103.05460	2.0
105.07021	100.0
106.07360	1.9
107.04958	3.1
107.07922	0.9
107.08582	9.4
108.05771	0.4
109.02877	4.7
109.06509	7.7
109.10143	0.6
111.04447	0.7
119.06045	0.8
119.08585	0.5
121.06519	3.3
123.08060	26.8
123.11713	0.8
124.08389	0.8
125.06007	1.3
125.09616	2.3
127.03899	7.0
127.07547	0.7
133.06474	5.7
139.07518	2.0
139.08440	0.4
145.04945	1.5
145.49899	0.5
149.05959	0.5
151.07526	40.3
152.07889	0.9
169.08580	25.2
169.12250	0.7
170.08836	0.6
173.04495	1.0
174.99236	0.7
176.98877	0.7
193.05899	0.4
221.64334	0.4
241.93053	0.4
288.18054	1.2
295.11880	1.1
313.12851	1.0
314.19443	0.9
331.13852	1.5
352.24860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.175
Annotation	Iridodial glucoside
Peak:m/z	Relative Intensity
53.03946	2.7
55.01882	1.8
55.05502	8.4
57.03427	3.0
57.07081	8.5
59.05009	2.2
60.04517	3.0
61.02927	2.0
67.05502	40.2
69.03426	17.2
69.07069	15.7
69.23607	7.9
71.04987	9.8
79.05494	13.6
81.03419	7.0
81.07053	100.0
82.07399	1.8
83.04974	1.7
83.08615	3.6
85.02901	12.0
85.06048	2.5
85.06539	37.5
86.09704	6.9
91.05473	3.4
93.07049	9.1
95.04964	17.6
95.08607	13.9
97.02895	9.5
97.10168	6.1
98.98466	44.0
99.04448	2.3
105.07028	5.1
107.08600	8.4
109.02889	4.0
109.06506	5.1
109.10152	54.1
111.08044	1.9
121.10178	2.4
123.10795	2.3
123.11701	57.6
125.09630	4.7
127.03940	3.9
127.11185	62.6
129.84511	1.3
133.10124	11.9
139.11209	1.9
141.12764	1.7
148.22337	1.3
151.11169	31.1
169.12225	44.2
173.12860	5.9
174.99147	2.1
176.98906	2.6
181.12222	5.3
187.13322	4.9
201.12413	2.5
213.51604	1.3
313.16412	4.1
331.17352	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	331.1748
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
50.86550	1.9
53.03939	2.8
55.05503	10.5
57.03438	2.6
57.07069	10.3
59.04993	3.4
61.02900	3.9
62.29515	1.8
62.80404	2.1
67.05161	3.3
67.05499	44.0
67.95705	1.8
69.03418	18.6
69.07064	19.5
71.04999	10.5
79.05510	9.3
81.03416	10.8
81.07050	91.5
81.97537	2.0
83.04985	12.6
83.08597	5.2
83.89798	2.0
85.02890	7.3
85.06538	45.0
91.05470	3.3
93.07056	11.4
94.10811	1.7
95.04952	24.1
95.08580	12.7
97.02882	8.2
97.06544	2.4
97.10193	3.6
98.98458	100.0
99.04440	1.9
105.07031	7.8
107.08588	8.0
109.02904	3.8
109.06525	9.1
109.10142	79.9
111.04441	3.1
116.99496	2.5
119.08616	3.2
123.08025	2.1
123.11692	62.6
125.09612	7.4
127.03920	7.2
127.11184	97.3
131.08542	2.5
133.10136	9.6
135.08049	2.3
139.03850	2.7
149.06042	2.1
151.11183	13.6
159.11720	2.3
169.12227	54.6
169.13560	3.6
173.13240	2.5
174.99229	3.4
175.11186	1.9
176.19250	2.0
176.98912	8.8
187.13318	2.9
197.13379	1.9
211.14984	2.3
257.67926	2.1
278.08286	2.1
285.18442	3.4
313.17697	4.2
331.08191	2.6
331.12671	6.0
331.17770	7.3
332.11298	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03952	4.4
55.01866	5.6
55.05493	6.3
57.03423	17.9
57.07072	7.0
67.05500	37.0
67.94861	3.4
69.03426	4.7
69.07067	15.7
70.06595	4.4
79.05484	8.1
81.03416	85.6
81.07050	11.5
83.04988	6.3
83.08649	4.4
87.08492	3.9
87.95193	4.2
88.07631	11.8
91.05492	16.5
93.07037	12.3
95.04962	100.0
95.08607	15.9
97.06520	8.5
98.98463	93.5
99.04417	4.6
105.07032	14.6
107.04956	6.9
107.08582	19.6
108.16320	3.6
108.17084	3.6
109.06509	15.7
109.10148	28.9
111.08084	9.0
117.07061	6.2
119.08570	13.6
121.06495	10.3
121.10136	9.2
123.04400	9.7
123.08066	12.4
123.11700	9.3
125.06003	5.4
125.09638	7.7
131.08539	9.9
133.10117	12.3
135.08051	7.4
135.11713	10.2
137.06001	3.5
137.09625	9.3
139.07591	7.4
143.08585	9.3
145.06487	11.5
145.10123	12.7
147.08064	7.8
147.11745	4.2
149.13313	3.8
151.07529	3.9
151.11157	29.1
155.08542	3.5
157.10103	7.9
158.11021	3.6
159.11749	4.7
161.09587	7.3
161.13358	3.7
163.11220	5.7
163.14819	12.2
167.14340	5.4
169.10121	6.5
173.09575	7.4
173.13242	18.8
174.99260	4.7
175.11194	6.7
176.11951	5.8
177.12704	5.4
179.10620	25.7
179.14317	5.2
187.11224	5.6
191.14304	53.1
199.11205	6.1
201.12729	6.3
205.12215	12.0
209.15375	50.8
213.12698	4.0
233.11771	5.1
257.15366	7.1
267.17252	6.6
268.26346	6.9
271.17163	4.9
285.18314	8.2
295.16959	7.2
303.26880	4.8
313.17938	25.6
330.33630	26.4
331.19019	57.1
331.22742	6.5
331.26303	12.3
331.33990	19.5
332.33060	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	331.1902
Annotation	1-Deoxybacrispine
Peak:m/z	Relative Intensity
52.77357	0.8
53.03939	3.8
55.01871	3.6
55.05504	5.0
57.03143	1.1
57.03434	22.2
57.07063	1.3
59.04998	0.9
65.03941	3.6
67.05502	33.2
69.03423	3.4
69.07066	13.3
69.38332	4.3
71.04987	3.1
74.76594	0.7
77.03909	1.6
79.05483	7.7
81.03412	83.9
81.07053	12.5
82.03787	1.0
83.04972	4.4
85.06551	1.9
91.05475	9.2
93.07046	9.5
95.04964	100.0
95.08600	14.3
96.05297	2.0
97.06531	8.2
98.98469	5.9
99.04451	4.1
99.08097	0.9
101.05978	1.1
105.07018	14.5
107.04957	5.5
107.08591	15.1
109.06509	20.2
109.07222	1.4
109.10152	36.7
110.10462	1.0
111.04453	1.1
111.08089	5.8
115.05467	1.1
117.07030	4.2
119.04971	1.3
119.08578	11.7
121.06494	10.0
121.10139	8.8
123.03628	1.2
123.04429	12.0
123.08065	16.3
123.11703	7.5
125.05999	1.6
125.09621	5.9
128.06216	1.2
129.07010	2.5
130.07809	0.9
131.04965	1.0
131.08575	9.8
133.06454	3.8
133.10121	14.7
135.08044	10.4
135.11681	8.8
136.08760	0.9
137.05959	1.3
137.09627	5.2
139.07495	3.7
141.05455	2.0
141.06976	1.9
141.09103	1.4
142.07773	1.9
143.08537	6.6
144.09320	2.1
145.06480	7.6
145.10114	11.8
147.08025	6.1
147.11697	3.0
149.05968	2.6
149.09624	7.3
149.13297	3.0
151.07553	3.1
151.11169	31.3
152.11519	1.3
153.12741	1.0
155.08548	2.4
156.09369	2.2
157.10152	4.4
158.10886	4.8
159.08095	4.4
159.11720	5.1
161.09618	12.2
161.13303	1.3
163.07545	1.5
163.11143	5.4
163.14798	4.4
165.07040	1.1
165.12753	1.8
167.08603	1.4
167.14322	4.5
169.10139	2.7
170.10841	1.0
171.08017	2.2
171.11671	4.0
172.08801	0.7
173.09615	6.3
173.13242	19.9
175.07532	1.8
175.11174	8.0
176.11966	3.3
177.09120	2.3
177.12732	3.4
179.07130	1.3
179.08977	1.2
179.10651	26.3
181.10114	1.6
183.08026	0.9
183.11703	2.7
185.09613	3.1
185.13297	1.3
186.10272	0.8
187.11160	5.3
187.14790	1.0
189.09142	2.2
189.12743	3.3
191.10663	2.4
191.14301	45.9
192.14615	1.9
193.10191	0.9
193.12262	1.3
195.11710	2.5
197.09619	1.4
197.13245	1.8
198.10399	1.0
199.11169	5.5
199.14838	0.9
201.09145	2.4
201.12727	4.1
203.10754	1.0
205.12193	9.1
207.10042	0.9
209.09764	1.1
209.13458	2.0
209.15340	40.6
210.15771	2.0
211.11255	3.8
211.14870	0.8
213.12721	3.2
215.10696	1.7
215.14322	1.5
217.12247	2.7
219.13757	8.7
223.11238	0.8
224.72581	1.0
225.12695	1.3
227.14323	1.9
229.12219	2.3
229.15828	1.7
230.12875	1.1
231.13780	3.5
233.11714	3.0
236.11980	1.1
237.12700	1.2
239.14305	1.9
241.12206	2.1
243.17432	1.9
245.15399	2.1
249.14896	1.5
251.14429	1.4
253.15884	2.9
255.13931	1.4
257.11563	0.8
257.15381	4.8
259.13449	0.9
267.17410	2.9
269.15253	1.3
271.16858	1.8
275.16370	1.0
277.15747	0.9
285.18530	4.4
287.16345	1.1
295.16934	5.6
313.17966	22.8
331.19012	23.0
332.19504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03939	2.8
55.01874	3.2
55.05513	5.0
57.03431	14.4
58.51126	1.5
59.05000	2.2
59.06405	1.6
59.08596	1.6
60.04610	1.5
63.57292	1.6
65.03925	2.4
67.05502	23.2
69.03411	3.2
69.07070	10.6
69.68521	1.5
69.93017	4.8
72.30062	1.7
73.35394	1.7
75.87183	1.4
79.05489	6.4
81.03416	57.5
81.07040	10.3
83.04964	4.6
85.06546	1.9
91.05486	7.0
93.07026	8.0
95.04962	67.5
95.08602	13.7
97.06523	7.0
98.22722	1.9
98.98457	100.0
99.04431	2.0
100.98891	2.0
105.07005	11.1
107.04956	5.4
107.08582	13.3
109.06516	12.9
109.10152	23.2
109.88478	1.6
111.08086	5.0
116.99443	2.9
117.06970	3.2
118.82583	1.9
119.08575	12.1
121.06499	6.2
121.10129	9.2
123.04443	11.6
123.08029	8.5
123.11662	4.7
125.09641	5.3
131.08575	9.5
133.06511	4.5
133.10104	11.7
135.08018	7.5
135.11703	6.0
137.09610	3.9
139.07536	4.8
141.05371	2.1
141.06970	1.5
142.07753	2.7
143.08513	6.4
144.09348	2.3
145.06451	9.3
145.10092	7.8
147.08051	5.5
147.11685	3.0
149.06021	2.0
149.09628	3.5
151.07520	1.8
151.11165	25.3
155.08615	2.2
156.09328	2.5
157.10118	6.2
158.10899	3.6
159.08049	3.3
159.11703	5.5
161.09628	8.2
163.07558	2.0
163.11198	5.3
163.14821	2.1
167.14278	2.6
169.10167	4.0
171.08031	2.6
171.11783	2.8
173.09578	3.5
173.13260	13.6
174.99266	3.8
175.11172	4.3
176.11990	2.6
176.98912	9.8
177.09019	1.9
177.12691	2.0
179.10669	20.4
183.11665	4.1
185.09598	3.1
185.13312	2.2
187.11159	3.1
187.14758	2.4
187.55542	1.6
189.12752	2.9
191.10760	1.8
191.14299	36.2
193.12190	2.3
197.09576	4.6
197.13281	2.5
199.11060	2.6
199.14799	2.1
201.12686	1.9
205.08643	2.0
205.12239	6.3
209.15329	29.6
211.11203	2.4
211.14810	1.8
215.10634	4.6
217.12085	3.8
219.13765	2.7
223.11174	1.9
229.12294	3.2
231.13934	3.4
233.11726	3.5
245.15466	2.1
257.15396	4.8
267.17444	4.1
271.16928	2.8
285.18527	4.9
287.16476	2.1
295.16888	7.1
313.17999	18.2
331.08014	2.2
331.18982	35.5
331.22775	3.1
332.19229	3.2
332.25784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03931	3.2
55.05518	4.7
57.03434	14.3
57.07066	3.8
65.03933	3.7
67.05502	29.1
68.25339	2.0
69.03426	2.9
69.07059	4.2
69.47103	7.8
72.61230	1.9
79.05475	3.9
81.03416	83.5
81.07030	5.6
83.04979	12.6
91.05514	4.6
92.37676	2.0
93.07031	7.4
95.04964	100.0
95.08595	6.1
96.05248	2.7
97.06531	2.7
98.98466	69.6
100.98902	2.3
104.99244	2.0
105.07021	14.2
107.08590	13.0
109.06518	10.7
109.10152	5.6
111.08041	2.3
117.06979	2.2
117.09714	2.1
119.08588	15.0
121.06501	4.4
121.10164	9.2
123.04411	14.2
123.08049	6.7
125.06008	3.4
129.06963	3.6
131.08586	13.2
132.97655	2.2
133.06482	3.8
133.10121	30.1
135.08070	13.2
135.11690	7.7
136.20351	2.0
137.09618	19.2
142.07820	1.9
143.08553	8.3
144.09323	3.8
145.06505	2.8
145.10103	11.3
145.24303	2.0
147.08017	7.3
149.05975	2.3
149.09618	10.3
149.13245	2.3
149.98982	2.1
151.11157	5.9
155.08614	2.1
156.09283	3.9
157.10106	6.0
158.10892	9.3
161.09604	12.0
163.11166	3.2
163.14780	3.8
164.03908	2.2
171.11644	5.3
173.09575	3.2
173.13263	32.4
174.99269	1.9
175.07520	5.5
175.11198	5.2
176.11977	2.3
176.98927	3.7
177.09102	2.3
179.10620	14.1
181.10173	2.9
185.09648	3.0
187.11136	3.0
189.12746	10.1
191.14305	58.8
192.14584	2.6
197.13179	2.1
199.11154	2.4
205.12228	2.9
207.13762	2.2
209.15355	11.2
213.12764	2.9
213.40475	1.9
215.10519	2.0
225.12756	3.5
229.12167	2.4
231.13857	2.4
239.14380	3.0
257.15225	2.8
267.17456	2.7
269.15335	3.0
271.16898	4.5
285.18411	2.3
287.16428	4.2
295.17014	2.6
313.17935	20.5
331.18982	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	331.1903
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03950	3.2
55.01873	3.3
55.05515	4.5
57.03438	22.0
59.05005	1.6
65.03944	3.9
67.05502	31.6
69.03417	2.8
69.07059	11.5
69.84794	5.2
71.04990	3.2
75.90136	1.5
79.05497	8.7
81.03415	87.4
81.07062	13.6
83.04976	2.7
83.08627	2.0
85.06549	1.8
91.05495	5.6
93.07040	8.7
95.04965	100.0
95.08599	12.7
96.05371	1.5
97.06532	8.6
98.23448	1.7
98.98466	13.3
99.04471	4.2
105.07041	10.9
107.04958	7.9
107.08611	14.1
109.06522	16.9
109.10150	39.5
110.10536	2.3
111.08086	6.7
117.07028	2.8
119.04971	1.8
119.08600	10.1
121.06525	7.7
121.10136	8.8
123.04423	12.5
123.08051	9.4
123.11716	5.5
125.05987	2.7
125.09665	7.2
128.06244	2.1
129.06967	3.1
131.08560	6.1
133.06525	2.2
133.10112	10.8
135.08049	6.9
135.11678	6.7
137.09641	3.9
139.07558	5.9
139.11192	1.9
141.05499	1.7
143.08578	7.6
145.06480	9.7
145.10129	11.0
147.08057	5.3
147.11676	4.8
149.05957	2.0
149.09624	4.0
151.07581	2.4
151.11172	31.3
152.11482	1.9
156.09315	3.0
157.10123	4.2
158.10919	4.0
159.08032	4.2
159.11697	5.7
161.09659	6.4
163.07524	2.0
163.11198	5.3
163.14830	5.3
167.08577	1.8
167.14279	3.8
169.10114	3.9
171.11716	3.6
173.09651	4.0
173.13264	20.7
175.11212	5.5
176.11992	3.0
177.09122	2.8
177.12747	2.9
179.07144	1.9
179.10655	24.7
183.11607	2.8
185.09636	2.5
185.13362	3.0
187.11162	5.2
189.09088	3.0
189.12701	2.9
191.10643	2.0
191.14310	49.6
192.14690	1.8
193.12326	2.2
197.09621	3.2
197.13269	2.4
199.11192	5.9
201.12674	3.0
205.12210	10.7
209.09737	1.6
209.13431	2.4
209.15344	56.4
210.15767	1.9
211.11159	3.4
215.10701	2.4
215.14232	1.8
217.12291	2.0
219.13789	5.6
225.12885	3.0
229.12294	3.2
231.13850	2.7
233.11768	4.8
237.12762	2.1
239.14252	4.6
241.12425	2.0
245.15437	1.9
253.15810	1.6
255.13742	2.8
257.11786	1.8
257.15387	7.1
267.17416	5.6
271.16803	2.5
285.18387	6.7
295.16940	5.7
313.17990	21.0
314.18042	1.4
331.19016	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03936	6.0
55.01859	5.6
55.05511	4.1
57.03431	18.3
65.03929	4.3
67.05502	36.3
67.48549	2.1
69.07066	16.8
69.45514	10.1
71.04986	4.5
78.34373	2.3
79.05479	8.5
81.03414	86.6
81.07050	10.4
83.04958	3.5
91.05476	5.9
92.07349	2.0
93.07047	11.7
94.70180	2.6
95.04965	100.0
95.08579	11.3
97.06511	6.0
99.04434	3.2
105.07025	12.4
107.04964	5.3
107.08577	15.6
109.06509	19.0
109.10149	42.1
111.08062	8.7
117.06992	3.3
119.08565	8.7
121.06446	5.3
121.10139	9.7
123.04449	11.8
123.08073	10.0
123.11707	7.6
125.05975	2.9
125.09631	7.3
128.06203	3.3
129.07010	4.1
131.08542	8.8
133.06482	2.9
133.10149	11.7
135.08046	6.7
135.11676	10.3
137.09592	6.1
139.07515	6.2
143.08522	5.5
145.06485	7.8
145.10094	10.6
147.08015	6.3
147.11676	4.1
149.06050	2.3
149.09651	5.3
149.13309	3.5
151.11183	32.7
156.09354	3.7
157.10120	4.3
158.10860	5.3
159.08064	3.8
159.11713	5.0
161.09644	6.3
163.11145	3.6
163.14752	3.8
167.14323	5.8
169.10083	3.7
171.08087	2.7
173.09610	2.8
173.13240	17.2
174.13695	2.4
175.11189	6.0
176.11960	4.9
177.12738	4.3
179.10672	19.2
183.11742	2.3
185.09650	2.4
187.11118	3.7
191.10631	3.0
191.14279	40.9
199.11212	4.7
201.12761	3.9
205.12222	7.4
209.15352	39.4
211.11205	5.2
219.13776	5.3
223.11128	2.6
225.16447	2.4
229.12244	3.3
231.13777	5.1
233.11707	3.3
239.14313	2.5
257.15259	6.9
267.17505	2.9
285.18494	5.2
295.16824	5.0
313.17935	13.9
331.19012	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	331.1904
Annotation	Tricalysiolide E
Peak:m/z	Relative Intensity
50.22224	0.9
53.03937	1.7
55.01858	3.4
55.05508	5.5
57.03415	4.7
57.07063	1.8
65.03918	2.2
67.05208	1.2
67.05502	13.1
69.03423	2.9
69.07069	5.4
78.61814	1.0
79.05487	9.3
81.03414	12.2
81.07049	9.2
82.22266	1.3
83.01316	1.4
83.04976	30.1
83.08589	1.9
85.02898	1.1
85.06547	1.5
88.68023	0.9
91.05474	10.2
93.07041	11.7
95.04967	22.0
95.08608	8.5
97.02892	4.0
97.06507	2.8
98.98463	100.0
99.04451	1.4
100.98869	2.1
103.05468	1.4
105.04478	1.2
105.07034	15.0
107.04298	1.1
107.04942	6.1
107.08579	12.4
109.02872	1.6
109.06514	8.2
109.10149	4.9
111.04438	10.0
111.08072	3.7
116.99528	2.8
117.07011	3.8
119.08566	16.3
121.06500	15.5
121.10143	15.7
123.04411	2.8
123.08071	6.6
123.11721	3.2
125.09582	2.4
128.06172	1.7
129.06989	4.2
131.08557	7.9
133.06496	2.3
133.10141	8.5
135.04448	6.5
135.08041	5.4
135.11661	7.5
137.09601	3.0
137.13220	1.3
139.03847	6.3
141.06996	1.7
142.07751	2.5
143.08582	7.1
144.08109	2.4
144.09305	1.1
145.06485	3.4
145.10100	8.8
146.07178	1.1
147.08040	4.7
147.11708	3.3
149.06030	5.5
149.09584	4.7
149.13228	1.6
151.07527	3.3
151.11147	5.7
153.07108	1.1
153.09116	1.7
155.08531	3.7
156.09317	2.5
157.10139	6.1
159.08067	2.6
159.11679	8.6
161.05986	1.4
161.09631	3.6
163.07530	3.5
163.11179	7.3
163.14812	1.5
165.06989	2.5
165.09064	2.3
165.12851	1.2
167.07094	1.9
167.08583	2.7
167.10593	1.2
168.09412	1.2
169.10077	7.4
170.10971	2.0
171.11653	7.0
173.09604	4.0
173.13245	7.5
174.99223	4.8
175.07622	1.4
175.11177	5.3
176.98897	7.5
177.05460	3.6
177.09171	1.6
177.12746	3.3
179.08548	2.7
179.10667	3.0
180.09277	2.1
181.10120	3.7
181.12163	1.4
182.10846	1.5
183.08026	1.5
183.11684	7.6
185.09631	1.7
185.13272	3.0
187.11159	4.4
187.14824	1.9
188.11868	1.2
189.09099	2.3
189.12752	2.9
191.07094	1.5
191.10640	2.2
191.14264	11.0
193.10185	1.5
195.06535	2.3
195.11728	2.8
196.12454	3.0
197.09584	3.3
197.13213	9.6
198.14059	5.4
199.11234	2.5
199.14818	2.6
201.12750	3.2
203.14340	1.3
205.12143	1.7
207.11714	1.9
209.13301	2.7
209.15370	4.1
211.11137	3.6
211.14793	5.1
213.12727	2.9
215.10680	1.8
215.14314	2.4
219.13708	2.0
221.13319	1.5
221.15331	2.6
223.14764	2.1
225.12802	1.7
227.10698	1.5
227.14253	1.5
229.12253	1.7
229.15868	2.8
235.14816	1.9
239.14221	1.5
239.17911	1.3
245.11789	1.4
249.16449	2.1
253.15900	2.3
257.15292	2.2
267.14496	1.1
267.17361	5.4
271.16727	1.3
277.15808	2.4
285.18582	4.6
287.16623	1.2
295.16953	7.2
303.19736	1.4
313.17975	18.7
331.18988	45.3
331.23273	3.4
332.19205	1.2
342.25073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1894
Annotation	Sarcostolide E
Peak:m/z	Relative Intensity
53.03939	2.1
55.01860	5.2
55.05500	3.3
57.03427	5.3
57.07064	1.7
67.05500	20.5
67.79630	1.9
69.07059	3.3
69.27996	9.9
70.06585	3.3
71.08640	2.2
72.08157	2.3
76.89539	1.5
79.05495	3.5
81.03416	42.5
81.07037	6.9
83.04978	2.4
83.08599	1.9
87.04459	17.6
88.04796	2.9
88.07632	2.2
91.05484	5.8
93.07045	8.5
95.04967	57.3
95.08616	5.3
97.06522	2.3
98.98461	50.0
99.04443	4.9
102.09159	2.2
105.07016	10.6
107.04935	4.9
107.08596	6.6
109.06513	9.5
109.10172	10.5
111.08074	4.1
119.04926	1.9
119.08566	7.3
121.06499	7.3
121.10166	4.8
123.04450	3.3
123.08051	6.3
125.09581	3.7
129.07069	2.0
131.04951	2.3
131.08530	6.6
133.06517	5.5
133.10114	7.5
135.08057	10.2
137.09602	10.1
143.08536	5.1
145.06467	6.8
145.10109	6.3
147.08055	5.0
148.09531	1.8
149.09599	5.0
151.07564	2.2
151.11188	5.7
155.08517	2.8
157.10147	3.7
159.08090	3.9
159.11678	3.4
161.05954	2.3
161.09595	13.4
161.13303	2.5
163.07524	1.7
163.11203	3.6
169.10153	3.1
171.08035	2.6
171.11777	3.2
173.09601	8.8
173.13219	4.3
174.81976	1.8
174.99283	1.9
175.07559	1.8
175.11168	3.6
176.98924	3.4
177.09084	8.6
177.12782	3.5
179.06972	3.3
179.10690	4.7
183.08037	3.3
183.11667	3.8
185.09610	4.0
187.11165	5.0
189.09087	5.0
191.10744	1.8
191.14272	9.7
197.09598	4.3
199.11134	4.1
201.09143	3.7
201.12755	3.2
205.12251	3.6
207.10109	9.3
209.13657	2.1
209.15344	13.0
211.11176	7.3
213.12756	2.1
215.10681	5.9
215.14267	3.5
219.13847	3.1
225.12657	3.2
227.10788	3.0
229.12222	7.7
231.13780	3.4
239.10625	2.1
243.13745	2.4
245.11679	2.2
251.14148	1.9
253.12119	2.9
253.15883	2.5
255.06131	1.9
267.17651	2.6
268.30194	3.4
271.13269	10.3
271.16833	6.1
271.28262	4.3
285.18448	5.9
288.13687	4.1
289.14230	2.7
295.16849	7.1
313.17966	19.2
330.29926	7.0
330.33578	8.5
331.18823	100.0
331.30255	10.6
331.33972	4.7
332.19171	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
54.63044	1.3
60.40821	1.4
68.32587	1.4
78.54109	1.3
83.42645	1.6
98.98463	29.2
119.43409	1.5
176.98871	2.7
204.56767	1.6
331.22421	100.0
331.33533	6.3
332.22739	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	331.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38871	1.1
57.07050	1.0
59.84386	1.1
59.90199	1.1
64.49168	1.1
70.78648	2.2
70.93796	1.0
72.08135	2.7
74.09702	1.6
78.49094	1.1
87.04447	1.2
98.98454	24.7
100.98869	1.3
105.07014	2.0
107.08641	1.4
175.25784	1.3
176.98915	1.3
296.27722	1.3
330.33685	1.7
331.22400	100.0
331.28165	6.4
331.33896	2.0
332.22681	4.8
332.29410	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.8
57.03427	5.8
57.07076	84.8
58.07398	3.4
58.86359	1.5
67.05504	24.5
69.07068	15.7
70.06591	12.2
70.81799	1.3
70.94514	2.9
71.06923	2.4
71.08630	56.1
75.04480	2.6
78.53748	1.5
79.05497	3.6
81.03407	6.0
81.07056	27.6
83.08612	21.2
85.10182	27.1
88.07629	13.7
89.07954	3.1
91.05487	4.3
93.07053	4.5
95.04952	4.7
95.08598	37.4
97.10158	7.3
98.98467	30.5
99.08099	1.5
99.11740	1.6
102.09171	4.6
106.08676	8.6
109.10152	18.0
111.11696	2.4
119.08618	3.0
121.10143	3.6
123.04441	2.4
123.11699	9.5
124.63065	1.5
129.66620	1.8
133.10091	1.7
135.11581	2.3
137.13263	5.2
151.11197	2.1
165.16475	2.0
176.98865	2.9
189.16405	5.4
191.14328	2.8
207.17554	1.9
209.15329	2.2
211.09018	1.7
221.22594	2.8
239.23682	12.0
257.24860	6.1
313.27335	40.5
313.32990	6.5
331.18887	4.1
331.22659	2.4
331.33975	100.0
332.33771	3.3
338.35617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.9
57.03440	8.2
57.07072	100.0
58.06594	2.1
58.07383	4.0
64.56792	1.9
67.05501	25.5
69.07064	20.4
70.06581	8.3
71.06945	2.0
71.08630	66.9
71.19524	2.3
75.04470	4.7
79.05479	2.4
81.03407	9.7
81.07055	36.9
83.08614	25.0
84.06483	1.7
85.10175	35.2
88.07626	9.5
89.07996	2.2
91.05473	3.6
93.07044	4.8
95.04962	11.2
95.08604	55.6
97.10178	12.5
98.98466	48.9
99.11702	2.9
102.09169	2.2
105.07018	3.4
106.08659	2.8
107.08535	1.6
109.10149	28.7
111.11755	3.7
119.08534	2.7
121.10090	2.5
123.04424	2.0
123.11752	9.5
125.09561	1.8
125.13230	3.8
133.10141	3.3
135.08052	1.7
137.13252	4.5
145.10048	2.2
151.11156	4.2
151.14832	2.5
159.11703	2.2
179.10704	2.3
191.14284	3.3
209.15341	3.1
221.22775	1.8
239.23680	16.5
257.24768	5.5
313.27377	50.0
313.32944	3.5
314.27744	4.9
331.19070	3.2
331.33990	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	332.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.1
65.03928	1.1
67.05500	1.9
69.03428	8.2
69.82017	2.5
72.08148	1.3
73.02904	1.9
79.05494	1.3
81.03443	1.1
84.08137	3.3
85.02905	6.3
86.09695	2.5
87.04470	1.9
93.15192	0.9
96.08119	1.2
97.02887	2.9
98.97553	1.0
98.98469	6.1
99.04465	1.1
101.02409	1.0
105.04501	0.9
106.06557	6.0
108.08114	100.0
109.08469	1.9
123.06798	3.2
124.07590	16.8
127.03938	1.7
129.10239	3.0
134.06010	16.8
136.07567	14.5
152.07062	76.5
153.07384	1.5
154.08617	1.3
170.08121	16.0
218.04128	1.1
230.06316	1.1
231.06731	2.5
304.51270	1.0
314.12326	37.3
332.04114	1.5
332.10361	9.9
332.13373	39.4
333.11099	1.4
352.41946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95490	0.3
58.99578	1.1
65.22654	0.4
70.03186	0.9
70.03511	0.4
73.01135	14.6
75.02699	5.0
83.04984	0.6
86.99068	0.9
98.98466	7.3
99.02660	1.6
105.00127	0.6
105.07030	0.5
117.06953	0.5
119.80990	0.4
123.18480	0.4
136.07481	0.4
144.08067	0.8
145.03174	3.7
154.98843	0.4
158.09615	1.1
176.05307	2.6
176.98871	0.5
181.08797	0.5
186.09073	0.5
187.09882	0.7
188.10690	17.0
193.51781	0.4
198.09076	2.3
205.05499	0.4
212.10698	3.7
213.11420	0.7
214.12253	16.4
215.12659	0.7
228.13832	7.0
230.06343	12.8
231.06905	0.9
245.12737	0.6
258.11206	2.1
260.11108	0.6
266.10223	0.4
274.97754	0.4
276.06879	56.7
277.07150	2.9
282.93832	0.4
288.14221	2.1
291.13434	1.1
332.13116	100.0
333.13519	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03947	1.4
56.96539	0.7
57.03428	1.0
61.02908	2.2
65.03941	0.9
67.05494	2.5
69.03429	4.5
70.52672	1.0
73.02921	1.7
79.05484	1.1
81.03406	1.9
81.07075	0.8
84.08103	1.5
85.02898	6.9
86.09691	1.3
87.04458	1.9
96.08122	1.1
97.02888	4.2
97.20200	0.6
98.97573	1.5
98.98476	0.6
99.04475	0.8
105.23077	0.6
106.06544	5.6
108.08115	100.0
109.02914	0.6
109.08453	2.0
113.03303	0.6
118.31344	0.6
123.06779	3.4
124.07587	14.5
127.03908	1.4
134.06006	16.5
136.07568	13.0
137.08321	0.8
152.07060	93.1
153.07425	2.3
154.08638	1.4
170.08119	25.3
177.00938	1.6
178.01024	0.6
186.09779	0.7
203.02435	0.7
218.98526	0.8
219.01952	4.7
236.99446	1.0
254.10135	0.6
309.54239	0.6
314.12320	35.0
315.12497	1.7
332.05002	2.5
332.13412	48.0
333.09714	0.9
333.13791	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01855	0.6
56.68746	0.5
56.96563	0.7
57.03445	0.8
59.71583	0.6
61.02920	2.6
64.66976	0.5
65.03926	0.7
67.05508	3.1
69.03428	5.7
71.01404	0.5
71.42402	0.7
72.08189	0.6
73.02920	1.6
78.89660	0.5
79.05489	1.2
81.03418	1.9
81.04509	0.7
81.07055	0.6
84.08129	3.0
85.02901	6.6
86.09702	1.3
87.04464	1.5
91.03970	0.7
92.05047	0.6
93.05794	0.9
95.04948	1.0
95.67824	0.5
96.08147	1.0
97.02885	3.0
98.97572	1.0
98.98484	0.9
99.04427	0.7
106.06564	4.1
108.08115	100.0
109.02895	1.1
109.08445	1.9
115.03905	0.5
116.98697	0.5
119.01941	0.5
123.06809	3.8
124.07590	16.5
127.03880	1.0
127.63509	0.5
129.10226	0.6
134.06015	20.0
136.07570	15.9
152.07057	94.9
153.07468	1.6
154.08620	1.0
158.11761	1.3
170.08110	24.8
177.00960	1.6
203.02513	1.1
218.98615	0.7
219.01968	4.8
236.99529	0.9
245.55142	0.5
314.12323	39.0
315.12662	1.4
331.20657	0.5
332.05008	2.9
332.13409	54.9
333.05466	0.6
333.09338	0.9
333.13678	2.1
350.05835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.9
56.96573	0.5
64.01395	0.4
69.03425	0.4
69.07056	0.8
69.84808	0.4
69.85148	1.2
70.06586	0.7
72.08150	2.7
81.07069	0.5
82.06655	0.4
84.04502	11.7
84.08148	0.9
85.02875	0.7
86.09703	100.0
87.10035	1.5
90.05545	0.9
91.05450	0.4
96.04533	0.4
98.22751	0.7
98.98462	14.6
100.98906	0.6
102.05545	1.7
108.08105	2.2
110.07158	0.9
116.99535	0.4
117.03372	0.6
124.07606	0.7
127.08559	0.4
130.04999	2.6
132.10188	3.3
134.06046	0.5
136.07570	0.5
145.02859	1.3
152.07109	1.7
152.10696	1.2
154.08609	1.1
155.08139	1.5
156.07681	0.9
157.13326	0.4
170.08105	0.6
173.09248	1.7
173.29068	0.5
176.98962	1.1
177.05469	1.7
181.04964	2.4
184.13380	0.6
187.10820	0.5
197.12811	1.1
199.18051	1.1
201.08870	0.7
203.13902	18.9
204.14220	0.5
225.12361	0.7
243.13393	9.0
269.14890	1.1
314.12247	0.4
315.15533	0.7
332.13678	1.3
332.17813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90784	1.7
55.05504	4.6
56.05028	4.2
67.05493	7.1
67.55782	1.5
69.03423	7.3
69.07068	3.1
70.06585	3.8
71.04972	2.6
71.43953	1.9
79.05490	9.0
81.03421	6.0
81.07048	12.4
82.07383	2.9
83.04961	5.3
84.04507	5.4
85.02904	4.9
86.06063	27.2
86.09705	3.8
87.04459	27.7
91.05466	7.5
92.05801	3.0
93.07035	7.6
94.06592	1.8
95.04938	3.8
95.08602	7.3
96.08094	2.1
96.08927	3.0
97.06529	4.4
97.10225	2.0
98.06048	16.3
98.98450	8.5
104.07101	17.6
105.07026	11.4
106.07352	9.4
107.08590	5.7
109.06525	2.9
112.07613	9.9
119.08557	3.4
119.93475	1.8
121.10098	4.1
123.08072	3.6
124.07600	4.0
126.35543	1.7
129.06905	2.0
131.08586	3.4
133.10144	2.1
142.08646	3.8
147.11644	4.7
149.09592	14.3
151.07495	2.6
152.07875	5.9
158.08162	3.7
166.12241	2.1
169.08574	3.0
170.08948	3.9
178.98885	1.8
184.13324	3.5
193.12244	6.5
195.13780	2.0
210.14886	5.3
211.13251	11.2
212.16504	1.7
232.05653	2.0
235.44429	2.0
252.15942	2.7
270.16913	6.8
278.17392	5.1
288.18051	10.5
296.18604	4.3
314.19583	100.0
315.20035	6.1
322.20490	1.9
332.24258	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	332.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55011	0.7
55.05510	1.2
55.24535	0.8
56.05031	10.2
56.96546	1.5
57.07073	7.9
58.06592	6.1
60.04514	3.1
61.39555	0.8
63.30260	0.8
64.14329	0.8
68.05448	0.7
69.15828	5.0
71.08624	4.2
71.96314	0.7
74.06075	12.2
80.94858	1.0
81.07040	0.7
81.42384	0.8
84.30878	0.7
85.10194	1.6
85.36297	0.8
86.06039	1.0
88.07626	35.5
98.98465	6.7
118.08648	7.3
122.08113	7.7
128.98567	0.7
164.58211	0.8
189.15062	0.8
218.24097	0.7
284.26321	1.7
284.29456	34.2
285.29843	2.2
311.00403	0.8
314.30579	2.7
315.16083	1.8
332.31564	100.0
333.17181	4.6
333.31870	4.2
337.69122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.6
55.05469	1.5
56.96562	35.9
56.96823	2.0
57.03379	1.9
57.03635	0.5
57.07032	0.6
61.68796	0.4
67.05502	6.5
69.07021	1.9
69.50574	0.5
71.95260	2.6
72.96017	0.6
74.97564	1.4
79.05488	5.1
81.03355	1.0
81.07052	4.8
83.08597	0.8
84.12615	0.5
84.95979	1.9
88.07565	0.7
91.05476	3.4
93.07058	3.7
95.04900	2.1
95.08624	4.6
97.96795	6.9
97.99120	0.6
98.97543	1.6
98.98487	2.8
105.00117	1.3
105.06968	2.3
106.80398	0.6
107.08585	3.1
109.06448	0.8
109.10083	2.1
110.97562	14.1
111.04410	0.6
111.98320	0.5
115.79597	0.5
115.97828	4.1
116.98524	1.5
117.07030	0.7
119.08517	1.9
121.10079	2.3
123.01119	1.8
123.08001	0.6
123.11678	0.6
128.98595	21.5
129.05415	1.2
129.99350	0.6
131.00003	1.2
131.08549	0.7
133.10063	1.5
133.98824	1.7
134.99582	0.7
135.11676	0.8
137.02660	2.2
140.98401	1.1
141.02177	0.8
143.00111	2.8
143.08548	0.7
145.10081	0.8
146.99641	14.5
147.11674	1.0
149.13205	0.6
152.00137	1.1
155.00073	0.6
155.03714	1.7
159.11588	0.9
161.01202	4.2
161.39789	0.5
163.04245	0.8
165.00670	2.4
165.05458	0.6
165.12738	1.6
165.79453	0.5
166.99992	0.7
169.01671	0.8
169.05438	1.2
170.01181	1.0
171.03256	2.5
171.11644	0.8
173.02716	0.5
173.57060	0.5
175.02750	1.6
175.14746	0.5
176.03517	0.7
177.05640	1.1
179.02220	1.4
181.05203	0.7
183.06969	0.5
185.04936	1.1
189.00468	0.7
189.04335	2.4
190.05063	2.2
191.05795	0.5
193.03792	0.7
195.06888	0.6
199.06364	0.8
203.01949	0.6
203.05809	1.6
204.06677	0.9
205.05281	1.0
207.06923	0.8
208.06253	1.0
209.08479	1.0
220.58922	0.5
221.04782	0.6
221.08426	0.8
222.07576	0.6
225.08014	1.1
226.08911	0.6
227.09526	0.8
238.08705	0.6
239.09424	0.5
241.11050	2.2
245.08345	0.8
245.10620	1.2
249.08051	0.8
252.10258	0.8
259.12064	1.2
263.09552	5.4
264.10193	1.3
265.11087	1.5
270.11270	0.7
277.11105	1.4
281.10437	1.0
283.11996	1.0
286.11053	0.5
289.11243	1.2
297.18454	0.5
303.12610	2.6
305.14011	0.5
313.14743	1.0
315.16269	69.1
316.16684	3.7
317.14413	0.9
321.13226	0.7
331.15845	3.9
332.31583	0.7
333.17310	100.0
333.24051	3.8
334.17627	6.1
334.27594	0.7
349.16782	0.7
351.18411	18.3
352.18878	0.8
356.14600	0.7
356.18961	11.2
357.19257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.204
Annotation	Japodagrone
Peak:m/z	Relative Intensity
57.03431	3.4
67.05499	4.7
69.31761	4.9
81.03416	13.9
81.07043	1.8
91.05476	1.1
95.04418	1.5
95.04974	16.4
98.23431	2.5
105.07024	3.2
109.06517	1.7
119.08590	1.8
121.03822	1.0
121.06456	1.9
121.10149	1.2
125.48551	1.0
131.08624	1.2
147.08026	1.2
147.11723	2.7
157.10149	1.1
159.11679	2.3
175.11101	1.4
191.14285	1.8
193.15921	2.9
197.13109	1.1
203.14349	1.4
221.15309	1.5
225.12804	1.6
297.18658	1.3
315.19519	10.5
333.20355	100.0
334.20657	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	333.2058
Annotation	Cespitularin D
Peak:m/z	Relative Intensity
52.48345	3.9
55.05529	4.9
57.03437	21.3
57.17187	4.3
58.06583	4.0
67.05498	29.9
68.27438	4.1
69.03424	5.8
70.06599	12.8
71.04989	6.1
71.10892	7.1
73.03173	3.7
75.74955	4.2
79.05484	7.5
80.94852	6.5
81.03412	75.9
81.07054	14.6
86.06067	4.7
88.07618	15.8
91.05471	13.7
91.41530	4.7
93.07044	16.5
95.04961	100.0
95.08630	6.9
98.98460	35.6
100.98859	4.0
102.02116	4.6
105.07018	15.7
107.08595	9.8
109.06525	8.7
109.10194	6.4
117.07056	5.9
119.08571	20.2
121.06506	6.1
123.08074	5.4
131.08502	6.9
133.10147	15.8
133.43741	4.3
135.11691	5.2
143.08533	5.2
145.06454	9.3
145.10136	13.5
147.11667	16.6
152.60458	4.5
157.10141	5.3
159.08026	4.2
159.11720	12.0
163.11127	6.8
171.11728	6.8
175.11186	6.4
175.14807	7.3
177.12677	4.8
191.14284	9.5
193.15923	12.8
203.14354	6.5
211.14734	5.8
221.15417	8.8
241.15852	6.3
242.24834	8.8
315.19470	55.6
333.16638	41.9
333.20551	72.7
333.24390	7.1
333.31961	9.1
334.20596	6.8
334.29572	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	5S,6S-epoxy-18R-HEPE
Peak:m/z	Relative Intensity
53.03943	4.4
54.57684	2.7
55.01867	19.2
55.05512	22.7
57.03176	4.4
57.03434	43.2
57.07063	5.1
65.03948	3.8
67.05505	35.3
69.03429	12.0
69.07072	28.0
70.07496	5.7
70.07861	6.1
71.04983	10.1
73.55838	2.6
77.03896	3.6
79.05492	54.4
81.03409	100.0
81.07053	28.1
82.03749	2.8
83.04978	88.2
83.08613	7.2
85.06522	4.8
87.04491	3.0
91.05473	37.2
93.07049	32.9
94.61832	2.8
95.04968	48.3
95.08604	37.8
97.06527	64.8
98.98460	51.3
99.04457	11.0
99.08073	3.7
105.04580	3.0
105.07024	45.4
107.04958	14.7
107.08595	30.3
109.02895	4.2
109.06490	21.1
109.10155	35.7
111.04433	7.1
111.08096	7.4
113.09669	3.3
116.06229	5.1
117.06970	17.3
119.08585	44.3
121.06466	12.3
121.10148	24.3
123.04428	7.5
123.08067	25.7
123.11691	10.2
125.05978	28.9
125.09609	13.0
128.06216	9.4
129.07024	18.4
131.04953	4.1
131.08563	33.9
133.06468	8.0
133.10112	37.5
135.08029	21.3
135.11697	12.1
137.05972	4.8
137.09618	17.1
141.06979	4.6
142.07759	10.9
143.08546	29.5
145.06448	8.4
145.10123	38.1
147.08051	46.1
147.11700	18.1
148.11197	4.0
149.09610	19.5
149.13223	3.2
151.11191	23.7
153.06975	4.1
155.08539	7.3
156.09326	9.6
156.30827	3.1
157.10127	32.2
158.10860	6.5
159.08058	10.1
159.11684	26.7
161.09621	29.0
161.13217	6.7
163.03854	3.5
163.07510	4.0
163.11182	19.6
165.12756	4.8
167.08485	6.6
169.10109	10.0
170.10878	4.4
171.08035	5.6
171.11638	19.3
173.09613	18.6
173.13219	30.2
175.11166	19.2
175.14861	4.2
176.98878	5.1
177.11343	3.5
177.12686	14.6
179.08444	4.1
179.10689	18.0
181.10156	9.4
181.12126	4.0
182.10753	3.9
183.11697	12.5
185.09587	11.1
185.13246	17.1
187.11232	14.5
187.14792	6.2
189.09113	8.4
189.12762	27.0
191.10663	11.8
191.14299	31.5
193.08591	10.4
193.12299	7.2
195.11736	7.8
197.13251	10.0
199.11172	11.2
199.14772	13.8
201.12729	12.8
203.10709	5.3
203.14279	5.2
205.12213	4.9
207.13773	5.7
209.13394	5.7
209.15382	10.4
211.11214	3.9
211.14864	5.0
213.12733	26.6
213.16344	4.7
215.14279	11.9
217.12344	5.4
217.15962	6.6
219.13721	3.4
223.14777	7.7
225.12816	4.4
227.14365	14.4
229.12190	3.5
229.15858	9.2
230.15497	6.3
231.13863	11.4
233.15414	6.3
235.13290	3.5
239.14198	3.8
241.15810	16.5
243.13631	4.3
245.15318	28.4
251.18008	3.8
255.13693	4.1
255.17451	6.8
257.15356	6.6
259.16959	11.8
263.16409	6.5
269.19052	11.2
279.17462	3.4
287.19791	5.7
297.18454	26.3
315.19519	58.2
316.19794	4.9
329.83893	3.0
333.13654	7.8
333.20584	72.9
334.14526	10.3
334.20242	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	333.2059
Annotation	Ptilodene
Peak:m/z	Relative Intensity
51.25325	1.4
53.03933	2.7
55.01862	4.0
55.05500	6.8
57.03437	23.3
57.07074	2.9
59.39817	1.4
67.05505	9.9
68.03945	1.4
69.03420	4.9
69.07065	56.1
69.45026	4.7
69.45419	2.2
71.04995	2.9
79.05489	22.4
80.59768	1.3
81.03418	12.4
81.07057	13.2
82.07394	1.5
83.01330	2.4
83.04967	6.4
83.08599	3.2
85.06538	2.2
91.05473	11.5
93.07046	14.1
95.04962	16.3
95.08603	13.6
97.06528	55.4
99.04440	6.7
105.07018	16.4
107.04960	17.7
107.08593	32.9
109.06505	12.1
109.10150	15.1
117.07014	3.5
119.08577	17.2
121.06482	5.4
121.10133	21.7
123.08081	9.7
123.11691	5.8
125.05988	10.9
125.09616	14.4
128.06235	1.6
128.90233	1.3
129.06987	2.4
131.08559	15.7
133.10130	17.7
134.10452	1.5
135.08020	10.6
135.11716	11.5
136.30685	1.5
137.05937	2.3
137.09622	4.9
142.07785	1.6
143.08557	6.6
144.09348	3.1
145.06477	2.3
145.10139	14.8
147.08022	4.9
147.11691	11.2
149.09619	6.9
149.13229	6.1
151.11182	23.9
153.09087	3.8
153.12738	6.4
155.08563	2.4
156.09366	4.4
157.10165	8.2
158.10912	6.7
159.08072	3.7
159.11678	5.0
161.09633	8.6
161.13281	3.5
163.07553	1.6
163.11205	5.4
163.14828	6.1
165.12793	5.5
167.10631	3.5
167.14276	2.1
169.10080	1.8
170.10921	1.8
171.11711	8.7
172.12444	1.5
173.09654	3.8
173.13248	28.8
174.13609	1.8
175.11205	9.2
175.14824	3.1
176.11981	1.9
177.12701	3.5
179.10680	12.7
181.08563	4.0
183.11795	3.2
185.13274	5.3
187.11185	26.0
187.14841	2.5
189.12750	10.8
191.10603	2.0
191.14293	40.7
192.14601	2.5
193.12401	1.7
197.13283	3.4
199.11197	4.5
201.12682	3.3
203.10677	2.8
203.14313	7.9
205.12276	3.5
207.13754	24.6
209.13506	1.7
209.15276	7.1
213.12666	10.5
213.16373	4.1
215.14253	3.7
215.17964	4.1
217.12219	4.1
219.13753	4.9
221.11655	3.3
223.14955	1.9
227.14320	2.2
229.12285	1.9
231.13861	10.4
235.13301	16.7
241.15921	4.0
245.15480	4.6
247.13295	5.2
247.17021	3.0
249.14873	3.3
255.17392	2.8
259.16956	6.4
269.18893	4.2
271.16928	9.1
273.18613	1.8
277.18100	2.8
287.19995	2.7
289.17935	12.4
297.18457	7.5
315.19571	18.7
316.19839	2.4
333.20560	100.0
334.21146	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	333.2057
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03940	5.1
55.01872	3.4
55.05499	6.3
57.03433	28.1
57.07058	6.2
60.04500	3.3
65.03925	3.6
67.05501	31.4
69.03430	5.6
69.07058	10.1
69.24514	19.2
70.06590	5.4
74.06097	4.4
79.05492	11.6
81.03413	80.9
81.07050	9.4
83.04980	5.6
85.06506	6.0
85.51064	3.1
88.07623	24.4
91.05457	5.1
93.07034	20.0
93.44353	2.8
95.04964	100.0
95.08606	17.6
97.06548	4.8
98.23448	4.8
98.98464	13.4
99.08065	6.3
105.07013	28.9
107.04943	4.2
107.08607	23.4
109.06519	22.0
109.10130	7.3
111.08114	3.0
119.08568	24.8
121.06512	12.7
121.10139	66.2
123.04408	12.7
123.08047	17.5
123.11668	2.9
125.09576	4.3
129.06993	5.9
130.06033	2.8
131.08549	9.6
132.10170	3.2
133.06485	5.5
133.10147	25.8
135.08032	12.1
135.11687	21.1
137.09596	5.1
143.08572	5.7
145.06474	17.6
145.10109	18.9
147.08025	12.6
147.11688	10.1
149.09628	8.5
151.07497	5.0
151.11150	5.4
153.09169	3.3
157.10155	10.1
159.08092	5.6
159.11700	13.6
161.09612	8.8
163.11169	42.8
169.10098	4.4
171.11685	5.4
173.13266	7.3
175.11195	6.6
175.14789	18.6
177.12762	8.1
185.09659	3.9
187.11131	3.6
193.15880	20.4
197.13208	4.7
199.11128	5.9
201.12773	7.5
203.10963	5.1
203.14313	6.0
209.13333	4.4
213.12779	5.8
215.14302	6.2
221.15347	6.4
241.15840	10.4
242.24718	23.0
243.13597	3.0
255.17111	3.3
259.16943	11.6
269.18881	5.6
273.18564	7.0
279.17462	7.4
286.27368	8.6
297.18390	31.0
315.19464	25.3
333.20541	52.2
333.24374	4.9
334.29489	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03932	5.5
55.01858	2.2
55.05499	6.6
57.03182	2.3
57.03438	29.8
59.05002	2.0
65.03926	2.1
67.05502	30.6
69.03422	5.3
69.07060	13.9
71.04964	2.5
75.47039	1.9
78.16670	1.9
79.05510	11.2
81.03413	97.8
81.07031	9.3
82.03761	1.8
83.04996	9.8
85.06544	3.9
91.05489	10.3
93.07043	19.8
95.04964	92.4
95.08601	11.0
97.06515	6.3
98.98532	2.0
99.08091	3.6
105.07032	21.9
105.09103	2.0
107.04290	2.5
107.04961	7.8
107.08592	18.3
109.06512	18.7
109.10150	7.2
117.07008	4.8
119.08579	22.8
121.06538	10.1
121.10140	39.9
123.04412	9.5
123.08067	16.1
123.11708	3.6
125.05981	2.9
125.09632	6.0
129.06996	6.0
131.04913	3.1
131.08617	13.1
133.06468	3.6
133.10136	26.2
135.08043	8.8
135.11699	12.8
137.05995	2.2
137.09642	7.3
142.07777	2.8
143.08562	6.3
144.09340	2.0
145.06461	20.6
145.10097	15.4
147.08063	11.5
147.09000	2.0
147.11659	8.0
149.05997	2.4
149.09596	6.7
151.07495	2.2
151.11214	3.4
154.45328	1.7
155.08595	5.6
157.10118	8.1
159.08044	6.9
159.11649	17.5
161.09650	8.8
161.13300	2.4
163.11159	31.2
167.08569	2.6
167.45731	1.8
169.10182	6.0
171.07994	4.5
171.11710	7.9
173.09659	4.1
173.13257	9.9
175.11182	11.2
175.14854	14.6
177.09193	3.4
177.12721	8.6
181.10243	2.0
181.12282	5.6
183.11722	3.1
185.09630	4.9
185.13263	5.3
187.11134	6.6
189.12776	3.3
191.14313	6.0
193.08504	3.0
193.12152	2.6
193.15852	13.7
195.11732	3.6
197.13293	5.5
198.10329	1.9
199.11217	8.0
201.12772	5.8
203.10692	3.3
203.14288	5.2
209.09634	3.4
209.13342	4.6
211.11183	3.6
211.14775	3.4
213.12704	2.7
215.14339	5.7
219.13788	2.4
221.15414	7.3
225.12794	4.2
227.14230	2.9
228.15005	2.2
229.12189	2.9
229.15927	5.7
231.13708	2.7
239.14281	6.6
241.15907	9.9
243.13928	2.0
245.15439	3.7
255.17459	2.6
257.15399	5.1
259.17041	10.9
269.18967	6.1
271.17099	2.9
273.18472	3.7
279.17477	9.5
287.20392	3.1
297.18491	34.1
315.19492	27.1
316.19760	3.0
333.20551	100.0
334.20950	8.2
334.29410	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	333.2058
Annotation	Xeniolide F
Peak:m/z	Relative Intensity
51.40462	3.8
53.03941	4.2
55.05508	5.8
55.62284	3.0
57.01669	3.2
57.03430	25.0
62.15063	4.1
65.22430	3.3
65.53774	4.3
67.05498	31.8
69.03414	5.9
69.07075	13.3
69.62438	9.8
79.05488	11.1
80.67258	4.0
81.03416	86.3
81.07043	14.3
83.04961	5.7
83.08598	3.8
85.06549	5.1
89.57633	3.5
91.05485	11.3
93.07046	22.6
95.04966	100.0
95.08611	11.5
97.06539	6.5
98.23382	8.1
99.08115	4.3
104.05935	4.0
105.07037	26.1
107.04930	5.3
107.08561	28.4
109.06486	25.4
109.10182	7.0
117.06994	4.3
119.08578	21.9
121.06485	15.2
121.10130	60.8
123.04424	7.2
123.08050	20.8
123.99950	3.9
125.09643	10.5
131.08521	6.9
133.06456	7.7
133.10110	19.0
135.08037	13.5
135.11705	18.5
137.09602	5.3
143.08549	4.2
145.06461	17.9
145.08632	3.2
145.10110	18.6
147.08051	10.4
147.11659	6.9
149.09622	12.9
151.07593	4.3
157.10136	7.4
159.08047	6.1
159.11696	13.0
161.09628	13.7
161.13208	5.1
163.11176	49.3
169.06451	4.1
169.10222	4.6
171.11674	10.0
173.09598	6.0
173.13269	5.7
175.11166	10.3
175.14830	25.3
177.12766	14.0
180.09387	4.0
181.12335	4.9
185.09535	6.6
187.11174	4.2
193.15869	24.2
195.11665	5.0
199.11044	9.1
201.12741	5.2
203.14211	4.6
205.12286	5.2
215.14426	3.7
221.13354	4.3
221.15353	11.2
227.14276	5.4
229.15950	5.6
230.80513	3.8
239.14389	5.1
241.15825	12.1
259.17032	7.6
269.18985	4.9
273.18240	4.4
279.17371	7.5
297.18484	36.7
315.19543	31.7
333.20572	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
50.89204	3.3
55.01856	3.0
55.05505	4.1
57.03436	24.2
67.05508	22.7
69.03414	5.1
69.07050	10.1
70.87212	4.4
71.04990	3.4
74.79426	2.7
79.05476	11.5
81.03414	67.2
81.07061	10.3
83.04967	3.8
85.06539	7.6
91.05457	8.6
93.07050	19.7
95.04960	100.0
95.08603	15.5
97.06529	5.1
99.08054	3.8
105.07016	24.7
107.08591	24.8
109.06519	23.9
109.10117	4.0
117.07006	6.2
118.23898	2.7
119.08582	27.5
121.06512	9.7
121.10124	66.5
123.04440	8.2
123.08049	18.5
125.09604	7.2
127.85857	2.9
131.08565	9.6
133.06499	3.5
133.10127	19.7
135.08034	9.8
135.11714	12.9
137.09587	8.4
137.13306	3.0
141.05403	3.0
143.08572	6.8
145.06467	16.7
145.10095	21.2
147.08047	13.6
147.11690	8.1
149.09605	7.9
156.09232	2.9
157.10089	9.2
159.08092	3.6
159.11697	12.1
161.09679	8.8
163.11159	50.6
171.08017	5.6
171.11600	4.0
173.09636	4.2
173.13284	5.6
174.08406	3.1
175.11194	7.6
175.14841	25.9
177.09091	3.9
177.12741	9.2
183.11636	4.8
185.09726	5.2
185.13290	3.1
189.12669	3.9
193.12167	3.6
193.15900	21.8
197.13228	4.4
199.11153	6.7
201.12723	5.8
203.14307	7.0
211.11153	5.2
213.12764	3.4
215.14249	5.2
221.15312	4.2
224.15706	3.2
227.14240	5.4
241.15848	10.5
242.16028	3.1
259.16956	8.6
269.19034	5.2
279.17255	3.3
297.18411	30.0
315.19504	25.2
333.20575	55.1
334.20877	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	333.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.07074	100.0
58.07395	1.2
63.35144	1.0
67.29234	1.1
69.07050	3.0
69.27334	6.6
71.08628	77.9
81.07063	1.5
83.08633	1.2
85.10177	44.3
89.06025	59.0
93.07030	1.5
95.08560	2.0
97.10194	1.2
98.23479	2.2
99.11718	3.3
107.07037	3.1
107.08588	2.2
113.00015	2.5
113.13248	3.2
121.10106	1.5
133.08607	10.4
146.01387	1.1
151.09641	26.2
165.12717	1.4
169.02606	2.0
333.27921	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	334.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05033	1.6
63.18110	0.4
67.05498	0.9
69.03439	0.5
69.07071	0.5
69.12011	2.3
70.06586	0.8
70.12514	0.3
72.08138	0.4
74.06083	0.5
79.63345	0.4
81.07056	1.0
81.44598	0.4
84.04505	0.5
84.08131	0.9
85.02906	1.2
86.09712	3.1
87.04451	0.5
93.07024	0.4
97.02901	0.4
98.23486	0.8
98.98460	1.3
102.05520	0.7
104.05321	0.7
109.10160	0.8
112.07593	1.0
120.08089	0.5
123.05515	0.5
126.09128	1.2
127.07564	0.7
130.08646	1.4
137.05968	0.7
147.04474	0.5
154.08644	1.3
154.12245	2.4
155.07022	1.0
156.07968	0.4
172.03702	1.5
172.09718	2.1
172.13371	1.2
182.05359	0.7
184.13419	0.6
185.04248	0.4
188.07072	0.6
189.03703	0.6
196.23659	0.4
200.12834	0.7
203.10425	0.4
217.13771	0.5
268.15247	0.5
288.14398	0.5
298.16602	1.2
307.06155	0.4
308.79068	0.4
320.93115	0.4
334.08957	100.0
335.09244	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	334.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05033	1.6
63.18110	0.4
67.05498	0.9
69.03439	0.5
69.07071	0.5
69.12011	2.3
70.06586	0.8
70.12514	0.3
72.08138	0.4
74.06083	0.5
79.63345	0.4
81.07056	1.0
81.44598	0.4
84.04505	0.5
84.08131	0.9
85.02906	1.2
86.09712	3.1
87.04451	0.5
93.07024	0.4
97.02901	0.4
98.23486	0.8
98.98460	1.3
102.05520	0.7
104.05321	0.7
109.10160	0.8
112.07593	1.0
120.08089	0.5
123.05515	0.5
126.09128	1.2
127.07564	0.7
130.08646	1.4
137.05968	0.7
147.04474	0.5
154.08644	1.3
154.12245	2.4
155.07022	1.0
156.07968	0.4
172.03702	1.5
172.09718	2.1
172.13371	1.2
182.05359	0.7
184.13419	0.6
185.04248	0.4
188.07072	0.6
189.03703	0.6
196.23659	0.4
200.12834	0.7
203.10425	0.4
217.13771	0.5
268.15247	0.5
288.14398	0.5
298.16602	1.2
307.06155	0.4
308.79068	0.4
320.93115	0.4
334.08957	100.0
335.09244	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	334.1397
Annotation	Oglufanide
Peak:m/z	Relative Intensity
56.05028	1.2
69.71127	1.5
70.06606	0.6
71.09955	0.4
71.40034	0.5
82.20068	0.5
84.04501	25.9
86.06069	0.5
86.09710	1.3
91.05482	1.4
102.05543	0.6
114.49393	0.5
115.05423	1.1
117.05767	0.7
117.06997	0.8
118.06538	21.9
119.06843	0.5
130.04997	4.8
130.06519	1.9
132.08076	6.9
133.08429	0.4
142.06512	3.1
143.07281	1.5
144.04366	0.6
144.08080	14.2
146.06003	59.1
147.06352	1.9
157.13348	0.6
159.07881	0.9
159.09174	14.1
160.07529	0.8
160.09529	0.6
170.06010	4.7
180.08054	0.6
187.08728	0.7
188.07059	100.0
189.07391	4.6
198.06584	0.5
205.09711	21.7
206.10077	0.9
225.08173	0.8
225.10223	10.0
226.10529	0.6
251.24684	0.5
271.10794	2.7
290.18610	0.8
317.11267	3.3
334.13885	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	334.1469
Annotation	ciglitazone
Peak:m/z	Relative Intensity
58.99557	0.3
67.40543	0.2
70.92379	0.2
73.01141	1.9
75.02686	0.3
83.92467	0.2
91.05445	0.2
96.01266	0.2
98.98428	0.3
119.08577	0.2
145.03191	0.5
145.08864	0.7
158.74232	0.2
160.07564	0.4
160.11226	1.4
164.45068	0.2
174.09122	0.9
178.06836	0.6
182.09653	0.2
185.09770	0.2
186.09073	0.3
186.12775	0.3
188.10651	1.7
189.11378	0.7
190.12257	2.9
198.09114	0.5
200.10675	7.3
201.11320	0.7
202.12245	0.8
206.06291	0.3
212.10860	0.3
213.11467	0.5
214.12251	32.4
215.12988	7.9
216.13823	9.8
217.14134	0.4
227.13063	0.3
228.13878	0.6
230.15378	19.0
231.15701	0.9
240.13792	0.3
242.15355	0.5
247.12039	0.6
256.16937	3.5
260.12802	1.0
262.12579	2.4
278.08414	2.7
290.15714	12.9
291.16040	1.0
303.06110	0.4
334.14673	100.0
335.14951	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.5
64.81026	1.0
69.03428	5.8
71.03762	1.5
73.02902	1.8
81.03411	4.0
85.02406	1.7
85.02903	26.9
89.19691	1.1
91.03984	1.5
91.05473	12.0
97.02891	6.5
99.04483	1.5
109.02871	2.5
119.04932	11.1
127.03924	4.0
137.05974	100.0
138.06285	2.7
145.04968	5.6
155.07002	6.3
159.09189	2.0
163.05959	1.1
170.05994	1.2
175.07555	1.4
175.10799	1.3
179.07062	2.1
180.08684	3.4
296.76660	1.1
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
53.03936	1.9
55.01862	1.9
55.96592	1.0
57.03438	1.9
61.02911	3.7
69.03441	5.8
69.63544	3.1
72.08148	1.4
72.39671	1.1
81.03414	2.7
84.04499	3.6
85.02900	27.7
85.03413	1.5
86.09705	2.3
91.03918	1.7
91.05469	10.5
96.23878	1.0
97.02885	8.2
98.22785	1.2
98.97649	1.3
98.98472	1.6
99.04462	1.8
101.86831	1.0
109.02867	1.7
115.84254	1.2
117.03763	6.2
117.09766	1.0
119.04935	8.2
122.02734	2.7
123.05535	3.2
127.03920	5.8
130.06514	3.6
137.05971	100.0
138.06291	2.3
142.03172	1.1
145.04985	7.7
155.07027	7.6
159.09198	6.0
164.50287	1.1
165.05467	1.2
170.05931	2.2
176.35970	1.1
178.89978	1.4
179.07045	1.3
180.08640	2.6
206.08430	1.3
208.36066	1.1
225.54623	1.5
243.24988	1.2
245.08070	1.2
246.95143	1.2
289.11856	1.3
300.90143	1.0
317.11298	2.6
318.62366	1.3
347.48062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37246	0.3
55.05512	1.4
56.05031	2.6
67.05167	0.5
67.05504	6.2
69.03436	2.8
69.07059	1.3
70.06592	4.9
71.04991	0.7
72.08145	0.5
79.05481	1.9
81.07050	9.6
83.04961	0.5
83.08614	1.0
84.04489	1.1
86.06063	16.2
86.09695	0.5
87.04464	15.1
91.05477	3.9
93.07021	1.2
95.08583	1.6
96.08132	2.1
97.10139	0.5
98.06049	33.0
104.07108	0.5
105.07027	1.4
107.08611	1.9
109.06493	0.5
109.10160	1.8
110.07138	0.8
112.07619	2.1
114.10278	0.4
121.10091	0.5
123.11699	2.0
124.06680	0.5
124.07579	9.7
133.10132	6.0
136.08475	0.6
146.05952	0.6
147.04385	1.3
151.11171	12.9
152.11533	0.6
152.81053	0.4
161.03438	0.6
168.13824	7.9
173.12941	0.4
186.14877	2.3
188.06932	0.5
203.03133	1.7
208.17058	0.9
218.15363	0.5
231.03999	0.5
236.16438	19.3
237.16808	0.8
262.69806	0.4
272.18542	100.0
273.18857	4.9
316.21164	22.4
317.21326	1.3
334.13806	2.2
334.22205	12.2
335.22665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2377
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
55.05493	0.3
57.03428	0.7
67.05492	0.7
69.07054	0.5
70.06578	0.3
71.43047	0.3
75.21425	0.2
79.05492	0.5
80.82309	0.2
81.03408	1.3
81.07053	1.0
82.03767	0.3
83.04978	0.7
91.05463	0.3
93.07063	0.4
95.04975	1.9
95.08588	0.6
96.05300	0.3
97.06585	0.2
98.06942	0.2
105.04478	0.3
105.07014	0.7
106.06571	1.5
107.08601	0.4
107.53476	0.2
109.06520	0.7
109.10100	0.4
115.28893	0.3
117.05771	0.6
118.06544	4.2
119.08582	0.8
121.06487	0.3
121.10146	0.6
122.10471	0.5
123.07983	0.3
126.01061	0.7
126.41095	0.2
130.06519	0.6
131.07315	1.5
131.08607	0.3
132.08121	2.0
133.08849	0.4
133.10110	0.4
134.09581	0.5
135.11697	0.3
144.08035	0.4
145.10086	0.4
146.09630	3.2
146.10565	0.4
147.11691	0.3
159.08060	0.3
159.11673	0.3
160.11188	2.4
161.03467	2.1
161.09608	0.4
162.09137	6.7
163.09880	0.4
163.11188	0.6
172.11125	0.4
173.13226	0.3
176.10690	5.0
177.11409	0.7
179.10512	0.3
190.12263	10.1
197.50885	0.3
202.13040	0.3
203.04742	0.3
204.13756	1.3
206.15424	0.3
209.13257	0.3
231.03992	2.6
244.20581	1.7
260.17209	0.3
272.20081	10.3
273.20343	0.7
290.20984	1.5
298.18719	0.5
316.19528	0.5
316.22699	0.8
317.21063	0.3
334.23752	100.0
335.04620	0.6
335.10117	0.3
335.24063	5.7
343.15198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75615	0.3
55.01851	0.3
55.05496	0.7
57.03427	1.2
62.10229	0.3
65.74890	0.2
67.05502	1.6
69.03421	0.4
69.07066	0.6
70.91903	0.3
71.04963	0.3
79.05482	0.5
81.03408	3.4
81.07037	0.8
82.03738	1.1
82.07336	0.3
83.04973	0.7
83.08620	0.4
90.03413	0.4
91.05462	0.5
93.07018	0.8
95.04951	3.9
95.08585	0.9
96.05309	1.4
97.06521	0.6
98.98476	0.4
99.83272	0.3
105.07022	0.8
106.06555	0.3
106.07347	0.4
107.08583	0.9
108.08900	0.4
109.06470	0.5
109.10122	0.6
110.10491	0.3
117.05756	0.6
118.06540	7.2
119.08579	1.1
120.08900	0.6
121.06498	0.4
121.10114	1.6
122.10490	1.3
123.08063	0.5
126.01058	7.1
127.16082	0.3
130.06514	1.1
131.07298	1.3
131.08472	0.5
132.08080	3.1
132.08957	0.4
133.06442	0.3
133.08836	0.9
133.10085	0.6
134.09604	0.4
135.08127	0.4
135.11694	0.4
136.11981	0.3
141.09088	0.4
144.08012	0.4
145.06465	0.4
145.10063	0.3
146.06879	0.6
146.09563	2.8
147.07956	0.5
147.10368	0.3
147.11629	0.4
148.08408	0.5
149.09645	0.4
157.10027	0.3
157.56792	0.3
158.09477	0.5
159.11676	0.5
160.11101	1.5
161.03441	0.7
162.07899	0.5
162.09129	6.5
163.11195	1.1
164.11537	1.0
169.10092	0.4
173.08203	4.8
173.09573	0.5
173.13261	0.4
174.09027	1.3
175.11113	0.4
176.10684	7.3
176.15259	0.3
177.11465	1.5
180.03299	0.3
185.09480	0.4
188.14253	0.3
190.12257	3.6
198.13516	0.3
200.11482	0.4
200.55214	0.3
204.13875	1.2
207.04317	2.8
209.05843	1.6
222.15717	0.4
231.04037	1.3
241.16298	0.3
242.16151	0.6
244.20580	1.3
260.12848	0.6
260.17111	0.4
272.20059	12.0
273.20517	0.6
290.21140	2.9
298.08517	0.8
298.18701	1.5
299.09351	0.6
300.10046	4.5
304.18985	0.3
316.19702	0.8
316.22922	0.7
317.17706	0.4
334.06204	10.6
334.23746	100.0
335.06616	1.1
335.24115	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	335.0736
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
53.54869	1.2
69.03416	1.2
70.86857	1.6
77.33782	1.0
81.98550	1.1
85.02902	2.1
85.71247	1.2
88.16145	1.1
89.51835	1.0
98.98492	1.3
137.05989	1.2
173.02084	25.6
173.29967	1.1
174.02368	1.4
185.04237	9.3
188.41438	1.2
191.86604	1.3
194.75681	1.4
225.37041	1.4
226.08759	1.4
241.09912	1.3
271.10901	1.4
272.09113	1.6
289.11780	5.0
317.11298	5.0
335.07330	100.0
336.07663	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
55.46781	5.7
61.94443	6.7
71.01426	8.4
76.82771	5.9
77.21004	6.1
84.08153	7.9
86.09664	7.8
98.97620	7.5
119.01931	7.6
127.02382	7.1
131.01913	12.7
133.03436	7.1
136.07570	7.1
155.01984	9.8
173.06596	34.9
182.38411	5.9
185.06572	55.4
191.07520	9.4
197.06584	7.5
203.07535	14.1
215.07703	15.2
219.01952	45.3
221.05055	12.7
225.06195	8.0
227.07648	7.0
275.09729	67.6
293.10785	48.6
294.06540	8.3
309.41388	7.1
312.07797	14.6
328.07208	10.8
330.08688	31.8
335.07346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.6
55.41492	0.3
57.03439	2.4
57.07050	0.6
65.03941	0.6
67.05163	0.7
67.05504	10.1
68.99788	0.4
69.07064	2.3
78.03461	0.5
79.05109	0.4
79.05498	5.1
81.07053	8.6
83.08601	1.3
83.42162	0.4
85.06551	0.4
89.06023	0.6
91.05476	2.8
92.05009	0.5
93.07044	5.0
95.04949	0.9
95.08038	0.5
95.08607	7.4
97.06480	0.5
97.10165	0.7
104.56857	0.4
105.04516	28.2
105.07009	1.7
106.05319	0.8
107.06066	1.4
107.08607	2.6
109.10168	2.9
117.06973	0.7
119.06053	0.7
119.08562	1.3
121.10102	2.2
123.11749	0.9
131.08530	0.8
133.03978	5.7
133.10115	1.4
134.04749	1.8
135.05540	0.9
135.11656	1.5
137.09627	0.4
145.10132	0.7
147.05533	4.7
147.11670	0.7
148.03896	2.4
149.13226	1.0
159.05467	0.6
159.11664	0.4
161.03458	97.1
161.13211	0.8
162.03821	2.0
163.05087	0.7
165.12807	0.5
175.05026	1.4
179.04524	1.0
189.03012	0.6
203.04532	8.8
231.03995	100.0
231.52892	0.4
232.04311	3.1
237.11273	0.4
244.45276	0.4
261.22235	0.6
291.30115	0.4
293.09253	0.4
335.10239	15.8
335.14316	0.8
335.25827	9.3
335.29242	0.4
336.10410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42990	0.9
56.96568	1.5
58.99872	1.5
64.25823	0.9
69.54341	2.0
70.06591	1.7
82.99859	2.0
84.08127	1.2
85.02905	1.2
97.01402	1.3
97.02899	2.6
98.22736	1.3
98.97585	2.1
101.00880	18.2
103.02457	2.1
113.00847	8.4
115.02397	4.9
116.98612	1.2
117.03360	2.5
119.01917	28.0
120.02117	1.4
120.08028	1.3
123.05535	7.1
127.02434	1.2
129.04018	2.9
131.01909	24.0
131.05554	9.4
132.20787	1.0
133.03458	5.7
137.00856	2.0
137.02994	2.7
137.06007	1.3
143.01892	54.3
144.02063	3.3
145.03639	5.8
147.05038	4.2
149.02957	2.4
149.06619	11.6
155.01884	26.7
155.03165	1.4
155.05537	3.1
156.02621	1.8
157.03508	3.0
157.31065	1.0
158.06604	6.9
159.05057	3.6
161.02951	63.4
162.03128	2.2
163.03938	1.3
167.05574	2.5
169.07173	1.4
171.05034	3.2
173.02968	23.4
173.06583	32.6
174.06808	1.9
175.04565	1.6
175.08144	2.4
176.07713	4.5
177.05807	5.5
182.05473	1.1
185.03012	1.6
185.06586	37.1
186.06686	1.2
187.08170	6.9
191.07652	10.5
197.06642	3.1
199.08061	1.5
201.06082	2.1
203.03955	10.3
203.07626	20.3
205.09106	1.3
209.06691	1.1
215.07622	16.6
217.09250	2.4
219.02008	2.5
221.02940	2.5
221.05048	29.9
221.07143	1.9
223.04643	1.3
227.07637	6.4
233.08733	4.1
235.04575	1.7
237.00633	1.7
244.05116	2.4
245.05070	1.5
257.08701	6.2
258.06729	1.5
270.06674	3.9
275.09747	46.9
276.10034	2.9
282.06824	3.3
293.10794	100.0
294.06812	2.1
294.11075	5.9
300.07736	8.0
301.08005	1.1
312.07758	34.2
313.07962	3.5
335.12518	57.4
336.12393	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
64.69204	0.5
65.03928	0.6
67.05496	5.9
79.05477	1.2
81.07041	2.2
83.04969	0.8
91.05473	1.8
93.07030	2.2
94.06570	5.6
95.04965	1.5
97.06526	0.7
105.04511	2.2
108.08090	0.6
109.06479	0.8
109.88696	0.8
119.08545	1.7
120.08021	0.6
121.10115	1.2
122.06014	16.1
122.06854	1.2
133.10136	1.0
136.07564	64.3
137.07898	1.6
140.07014	1.1
161.03459	8.5
161.13216	0.8
164.07051	100.0
165.07417	2.3
173.13103	0.6
182.08115	69.4
183.08385	1.1
189.12686	3.4
196.09665	2.6
213.12627	0.9
219.13852	5.3
231.04001	9.5
231.13727	0.9
299.20084	1.4
300.32590	0.8
317.20944	0.9
335.10034	1.0
335.19986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	9.1
67.05498	50.1
69.26020	27.8
69.26427	29.1
74.14526	10.2
81.03381	16.1
81.07050	10.8
87.21761	8.9
88.69887	11.4
91.05473	22.4
93.07037	16.3
95.08611	22.3
109.10155	100.0
115.05368	11.8
119.08543	19.5
131.08562	17.6
133.06355	9.4
137.09601	40.3
143.08636	12.9
147.08044	11.2
155.10637	73.9
185.09641	19.1
191.71506	8.7
213.09045	19.0
231.10249	22.6
270.52518	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	335.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	37.6
69.03431	13.2
70.70651	12.3
71.04983	12.1
74.22277	7.0
81.49850	7.4
85.02876	12.0
91.05499	9.6
93.07057	13.0
95.08609	72.2
97.03846	8.0
109.10152	59.3
119.08574	16.9
123.96903	8.5
134.80679	7.8
137.09615	32.5
155.09418	13.3
155.10631	100.0
161.03465	9.5
185.12842	7.1
186.90639	8.7
203.71422	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	335.185
Annotation	8alpha-Isobutyryloxydouglanin
Peak:m/z	Relative Intensity
51.02374	0.5
51.51711	0.5
53.03938	1.4
55.01865	8.0
55.05501	5.1
55.20240	0.5
57.03432	35.5
57.07066	0.8
59.04980	1.9
67.05510	2.8
69.03422	26.0
69.07054	1.6
71.01346	20.7
71.04986	14.3
77.03903	0.8
79.05483	4.6
81.03399	3.8
81.07050	5.0
83.04965	5.0
83.08605	0.6
85.02880	0.8
85.06544	0.8
91.05472	7.2
93.07028	7.7
95.04948	4.1
95.08574	3.8
97.02864	0.9
97.06524	3.8
97.10141	0.5
98.22620	1.2
99.04443	30.5
99.08055	0.7
103.05443	0.7
105.04560	0.7
105.07012	15.7
105.40517	0.5
107.04944	1.7
107.08585	8.9
107.31074	0.5
109.02871	1.8
109.06510	5.2
109.10143	2.1
111.08074	1.2
113.06001	2.0
115.05411	1.4
117.07022	3.3
119.04926	0.8
119.08560	17.4
120.08835	0.6
121.06499	5.7
121.10122	5.6
123.04443	0.8
123.08050	5.0
125.05977	4.8
125.09576	1.1
127.03923	4.0
127.07527	2.5
128.06183	2.1
129.07005	4.0
130.07765	1.4
131.08546	10.0
132.09012	0.6
133.06465	3.9
133.10107	17.5
135.08026	5.4
135.11671	3.4
137.05931	1.0
137.09601	5.9
139.07501	1.4
139.11055	0.7
141.06993	2.5
142.07780	5.4
143.06964	0.6
143.07318	0.6
143.08543	9.6
144.09335	1.2
145.06448	2.8
145.10103	12.8
147.08043	8.2
147.11661	12.5
149.05966	3.9
149.09589	4.7
149.13258	0.7
151.07539	2.0
151.11195	3.6
153.06953	0.7
155.08519	3.5
156.09328	10.2
156.10497	0.9
157.06462	1.1
157.10098	17.2
158.07277	1.4
158.10779	1.3
159.08035	12.3
159.11674	10.9
160.08786	2.5
161.03458	0.8
161.09613	20.1
161.13210	4.7
161.67262	0.5
162.10095	0.9
163.07487	3.4
163.11133	7.4
163.14763	0.7
165.06960	0.7
165.09114	1.9
165.12697	1.1
167.08603	1.5
167.10680	0.9
168.09293	1.4
169.10075	4.5
170.10864	2.4
171.08031	1.6
171.10191	1.1
171.11668	22.5
172.08820	1.9
172.12294	1.1
173.09581	8.6
173.13235	7.5
174.10362	1.7
175.07568	2.3
175.11160	36.0
176.11624	1.5
177.09090	1.9
177.12700	5.7
179.08585	1.1
179.10649	6.0
180.09294	1.0
181.10103	4.2
181.11966	0.9
182.10910	1.8
183.08078	0.9
183.11726	4.3
184.08781	1.5
184.12540	0.9
185.09601	3.7
185.13242	8.5
186.10365	2.0
187.07510	0.9
187.11169	9.8
187.14786	4.3
188.11867	0.9
189.09076	2.2
189.12714	23.7
190.13011	0.8
191.06979	1.0
191.10658	4.2
191.14305	3.6
193.10492	0.6
193.12224	4.1
194.10901	0.8
195.11700	2.9
196.08836	0.7
196.12500	1.3
197.09550	1.1
197.13214	3.1
198.10381	1.8
198.13466	0.5
199.11148	9.6
199.14859	2.8
200.11964	1.0
201.09157	1.0
201.12721	6.0
201.16426	1.4
203.10663	4.1
203.14230	3.4
204.11360	0.7
205.12238	3.2
207.10046	0.9
207.11855	1.0
207.13667	2.9
209.09685	0.8
209.11497	1.1
209.13232	1.7
211.11208	1.7
211.14801	3.6
212.11832	1.2
213.12715	12.1
214.13416	1.3
215.10606	3.1
215.14178	2.6
217.12207	14.3
217.15680	0.9
218.12610	0.7
219.13773	14.2
220.14243	0.8
221.11635	1.8
225.12744	2.3
227.14276	9.5
229.12224	2.2
229.15843	5.5
231.04021	0.8
231.13747	7.6
233.11707	1.3
233.15306	0.9
235.13210	8.8
237.12682	1.2
237.14874	2.0
239.14261	1.1
241.12219	1.3
243.13786	4.3
243.17297	0.8
245.15399	4.6
247.13145	1.4
249.14803	1.2
253.15894	1.7
255.13779	5.0
257.15375	2.3
261.14847	4.3
263.16541	3.4
266.13000	0.7
271.16833	4.6
273.14807	8.6
274.15036	0.7
275.16525	0.8
279.15857	1.0
281.15295	1.8
289.17862	2.5
291.15814	3.2
299.16336	4.2
317.17432	100.0
318.17740	7.3
335.18463	10.3
336.18817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
53.03935	2.2
55.01868	8.9
55.05507	6.5
57.03436	40.2
57.07053	1.7
59.04996	2.0
67.05516	8.3
67.29534	1.0
69.03427	27.9
69.07057	7.1
70.06586	1.5
70.55431	2.2
71.01347	20.1
71.04994	14.1
71.08604	1.0
71.78436	1.0
77.03915	1.7
79.05489	19.0
81.03404	3.5
81.07053	41.2
83.04974	8.2
85.06542	5.2
91.05476	10.3
93.07027	10.8
94.07441	1.0
94.87101	1.1
95.04966	8.4
95.08607	11.3
97.06528	6.6
97.10163	1.2
99.03805	1.8
99.04449	31.8
99.08069	4.5
103.05461	1.4
105.04513	3.6
105.07021	21.1
107.04956	2.1
107.08590	16.5
109.02839	1.8
109.06516	10.4
109.10136	7.6
111.08028	2.3
113.06007	3.2
115.05422	1.2
117.07017	6.0
119.04925	1.3
119.08561	22.9
121.06512	8.0
121.10139	12.2
123.08072	7.7
123.11665	2.4
125.05981	3.5
125.09630	2.3
127.03867	4.3
127.07536	5.4
128.06223	2.3
129.06990	5.7
130.07774	2.3
131.07628	2.0
131.08548	15.1
133.03935	1.1
133.06487	5.0
133.10109	21.0
135.08061	9.2
135.11702	8.4
137.05930	2.6
137.09618	7.0
139.07501	1.8
141.06985	3.7
142.07744	7.5
143.08556	11.9
144.09294	2.1
145.06473	3.4
145.10101	16.7
147.08040	7.8
147.11684	14.8
149.05956	3.8
149.09625	7.0
149.13245	3.0
151.07504	1.3
151.11171	8.5
153.12711	3.3
155.08525	4.8
156.09331	13.5
157.10100	19.9
158.07385	1.3
158.10901	4.0
159.08040	11.9
159.11694	12.2
160.08775	2.8
161.03456	9.4
161.09598	21.7
161.13248	7.6
163.07515	2.6
163.11156	7.7
163.14835	1.8
165.09082	3.0
167.08517	2.2
167.14331	1.2
169.10156	6.6
170.10913	4.6
171.08080	2.3
171.11678	29.7
172.08809	1.9
172.12143	2.7
173.09647	10.0
173.13232	15.1
174.10356	1.3
175.07549	2.1
175.11182	35.2
175.14758	1.5
176.11691	2.6
177.09074	2.6
177.12766	7.9
179.10626	7.7
181.10136	3.7
182.10811	2.7
183.11722	5.3
184.60399	1.0
185.09590	4.4
185.13235	10.1
186.10341	2.1
187.11168	13.7
187.14789	3.6
188.11761	1.4
189.09105	4.6
189.12718	26.6
190.13057	1.7
191.10651	4.5
191.14288	13.2
193.12257	6.0
195.11691	3.5
196.12521	2.4
197.09650	1.9
197.13226	4.1
199.11142	10.3
199.14731	5.8
200.11960	1.7
201.09073	1.7
201.12672	7.0
201.16379	2.1
203.10689	5.2
203.14325	6.0
205.12212	3.9
207.13817	3.9
209.09636	1.4
209.13365	2.2
209.15311	3.7
211.14828	4.8
213.12706	13.6
214.13425	1.7
215.10699	3.9
215.14287	13.7
217.12216	13.5
217.15880	1.6
219.13814	14.3
221.11626	1.5
225.12749	2.8
225.16371	2.0
227.14304	10.9
229.12262	2.9
229.15886	6.6
230.10884	1.3
231.03947	11.8
231.10130	1.7
231.13779	11.1
233.11693	1.7
233.15285	7.3
235.13202	7.8
237.12605	1.4
237.14790	1.8
239.14299	2.4
239.17987	2.0
243.13794	5.4
243.17435	3.0
245.15268	5.4
247.13237	2.7
247.17168	1.2
249.14795	4.6
255.13737	4.3
257.15253	4.1
257.19116	1.9
261.14874	3.8
261.18524	1.5
263.16412	2.1
271.16913	8.0
273.14838	9.4
275.16296	2.3
281.15366	1.5
281.18686	1.7
287.19980	2.2
289.17950	2.8
291.15945	2.6
299.16388	6.0
299.20023	7.2
305.20865	1.7
317.17499	100.0
317.21042	14.4
318.17822	7.7
318.21152	2.0
335.10318	2.0
335.18420	12.9
335.22168	17.8
336.18561	1.5
336.22305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	8beta-Isobutyryloxycumambranolide
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	10.1
55.05507	7.0
57.03432	39.9
59.05001	1.5
59.20128	0.7
67.05492	4.4
68.99787	1.1
69.03423	30.1
69.03804	1.4
69.07062	4.8
69.10407	5.8
71.01355	21.6
71.04989	13.3
71.08594	0.9
77.03916	0.9
79.05479	7.1
80.52937	0.9
81.03379	4.0
81.07046	12.6
83.04980	7.2
83.08625	0.9
85.06541	2.7
86.74387	0.8
86.89203	0.8
91.05464	7.4
93.07029	10.0
95.04967	6.4
95.08595	8.2
97.02898	1.0
97.06515	5.9
99.04450	31.7
99.08105	1.3
101.05994	1.5
105.04510	2.3
105.07025	19.3
106.07336	0.9
107.04927	3.0
107.08590	11.1
109.02869	3.4
109.06520	7.6
109.10143	3.8
111.04444	0.9
111.08062	2.4
113.05992	2.1
115.05441	1.6
117.07024	4.4
119.04942	0.9
119.08569	20.9
121.06496	7.5
121.10148	6.8
122.56881	0.8
123.08066	7.4
125.05967	5.0
125.09631	2.3
127.03904	5.7
127.07475	4.1
128.06187	2.5
129.07005	5.3
130.07776	2.1
131.08554	12.5
133.06465	4.0
133.10124	19.4
135.08026	7.6
135.11642	4.8
137.05977	2.4
137.09618	7.2
139.07518	2.1
139.11156	1.0
141.07013	2.0
142.07796	5.7
143.08543	9.5
144.09335	0.9
145.06491	3.3
145.10117	13.5
146.07298	1.3
147.08029	8.7
147.11662	15.5
148.11971	1.1
149.05968	4.0
149.09587	6.8
151.07509	3.9
151.11166	5.8
153.09082	1.2
154.07784	1.9
155.08583	4.1
156.09364	11.4
157.10101	20.2
158.07259	1.1
158.10791	2.8
159.08047	14.2
159.11682	13.0
160.08832	2.8
161.03453	6.4
161.05984	0.9
161.09619	21.7
161.13226	6.5
163.07507	5.0
163.11168	8.4
165.06984	1.1
165.09103	3.5
166.07672	0.8
167.07016	1.0
167.08517	1.7
168.09229	1.6
169.08873	0.9
169.10091	5.3
170.10854	4.3
171.08061	2.9
171.11678	27.3
172.08839	2.2
172.12149	1.2
173.09599	10.9
173.13245	11.1
174.10339	2.2
175.07542	2.2
175.09644	1.7
175.11166	35.6
175.14708	0.9
176.11702	1.2
177.09128	1.6
177.12712	6.4
179.10648	8.6
179.14127	0.8
180.09247	1.0
181.10118	3.5
182.10782	1.5
183.08012	1.2
183.11699	5.0
184.08835	0.9
184.12442	1.0
185.09619	3.1
185.13246	10.0
186.10336	1.3
187.07570	1.3
187.11150	13.5
187.14803	4.6
188.11775	1.2
189.09102	3.6
189.12733	23.6
190.13089	1.1
191.10603	3.8
191.14294	6.6
193.12215	5.6
195.11693	3.5
196.12442	2.5
197.09595	2.0
197.13216	4.1
198.10316	1.4
199.11159	10.4
199.14798	4.2
200.12073	1.0
201.09064	0.9
201.12698	7.9
201.16379	2.8
203.10655	5.5
203.14320	5.5
205.12231	4.5
207.10033	1.1
207.11992	0.9
207.13786	3.8
209.13286	2.6
209.15312	1.6
210.10472	1.5
211.11203	2.0
211.14783	4.1
213.09248	1.0
213.12737	12.3
214.13354	3.1
214.15402	0.9
215.10831	4.5
215.14337	4.8
217.12215	17.2
217.15787	1.1
219.10371	1.1
219.13794	14.1
220.14258	1.4
221.11562	1.5
225.12753	3.8
227.10649	1.0
227.14259	12.4
228.14708	1.1
229.12170	2.6
229.15785	6.1
231.03926	7.3
231.13818	8.7
233.11760	2.7
233.15263	1.9
235.13142	6.4
237.12675	1.5
237.14748	1.9
239.14259	2.2
243.13770	5.7
243.17558	1.2
245.15340	5.0
247.13274	2.0
249.14844	2.0
253.15794	1.3
255.13780	5.2
255.17288	0.9
257.15314	3.8
261.14816	4.0
263.16422	2.5
271.16879	5.3
273.14801	9.6
275.16547	1.4
281.15363	2.5
289.17838	2.4
291.15784	2.8
299.16397	5.1
299.19943	2.1
317.17456	100.0
318.17810	5.7
335.18509	13.4
335.22366	2.6
336.18869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.05013	0.7
57.07085	0.6
58.06596	1.2
67.05511	3.1
69.07080	1.2
71.04984	0.8
71.08598	0.5
71.42601	0.8
74.06081	0.9
79.05482	1.6
81.03413	1.7
81.07069	3.0
86.06052	0.7
88.07632	4.1
89.07963	1.3
91.05466	1.5
93.07045	1.7
95.04962	2.2
95.08594	1.9
99.71444	0.6
105.04507	8.2
105.07001	1.1
107.08598	1.0
119.08608	1.3
121.10178	0.8
131.08537	0.7
132.10217	1.4
133.03964	2.2
133.10220	0.9
134.04747	0.5
135.11748	0.7
138.54927	0.6
145.10144	0.9
147.05493	1.7
148.04030	0.5
153.01326	0.5
157.10153	0.7
161.03450	27.3
161.09598	1.0
162.03755	0.9
163.11224	0.6
175.11171	0.6
187.04956	0.6
192.48239	0.6
203.04539	2.4
229.12263	0.9
231.03993	31.1
232.04277	1.6
242.24797	1.7
243.25204	3.8
283.46124	0.6
286.27200	0.6
287.27771	1.7
293.13815	1.0
299.20050	0.9
317.21002	0.9
334.29605	1.6
335.10556	6.2
335.21896	100.0
335.29782	17.6
336.22247	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.00610	0.4
66.92261	0.4
69.92842	1.3
81.07049	0.6
93.07043	0.5
98.22704	0.5
105.04503	1.7
118.96080	0.4
119.74426	0.4
161.03479	6.5
195.09937	2.5
203.04524	0.7
231.03989	7.9
232.04341	0.5
314.37598	0.5
335.21912	100.0
336.22180	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.7
57.03430	4.3
58.73618	1.4
63.07544	1.6
67.05490	11.4
69.07057	2.5
70.91935	3.0
79.05494	5.0
80.94850	2.3
81.07053	9.6
81.95880	1.7
91.05495	3.4
93.07038	6.2
95.08607	8.0
105.04523	7.2
105.07091	1.8
107.08605	4.7
109.10136	3.7
109.94166	1.6
119.08572	1.8
121.10190	2.8
121.85812	1.9
131.08603	1.8
133.04002	2.3
133.08604	1.6
133.10150	2.3
135.11739	1.9
145.73766	1.9
149.13321	2.5
161.03481	24.9
162.67332	1.8
195.09933	2.0
203.04492	3.3
219.08180	2.4
231.04033	30.5
247.07616	3.4
261.22028	2.2
288.92221	1.8
293.08051	1.9
303.06528	5.5
335.09836	6.2
335.21945	100.0
335.25787	14.3
336.22409	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.03442	8.0
57.07078	1.3
57.55232	0.7
65.03944	0.9
67.05503	26.8
69.07066	6.1
69.33961	3.6
71.05009	0.8
79.05492	13.9
81.07054	26.9
83.04976	0.9
83.08618	2.3
85.06561	1.0
87.54400	0.8
91.05473	6.7
93.07047	15.4
93.92062	0.7
95.04987	2.4
95.08605	22.8
97.06548	1.3
97.10176	1.3
105.04526	4.9
105.07043	5.2
105.07636	0.8
107.08600	7.2
108.64254	0.7
109.10147	8.7
111.08072	0.9
117.07035	1.8
119.08571	4.4
121.10149	7.5
123.11709	2.8
126.41109	0.8
131.08601	2.5
133.10127	3.7
135.11673	4.5
137.13284	0.9
145.10133	3.3
147.11678	2.1
149.13300	4.0
159.11697	1.8
161.03468	11.8
161.13283	2.4
163.14819	1.3
165.12729	1.2
171.61935	0.8
173.13263	2.1
175.14774	1.2
187.14818	1.4
195.09924	2.1
202.27377	0.8
203.04503	1.0
231.04010	16.7
232.04269	1.3
243.21112	3.7
261.22214	3.0
316.97699	0.8
317.24741	1.3
335.10327	2.5
335.21924	100.0
335.25827	34.3
336.22290	5.3
336.26062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Enanderianin P
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	8.6
55.05511	8.2
57.03433	39.6
57.07078	2.0
59.05008	1.7
65.03935	1.8
67.05499	10.3
69.03423	25.7
69.07061	10.4
70.06596	1.3
71.01350	15.6
71.04990	15.3
71.08607	1.3
77.03940	1.6
79.05488	31.5
81.03418	3.9
81.07050	100.0
81.73282	1.2
82.26995	1.1
83.04973	8.8
83.08601	1.4
85.06532	15.8
91.05469	10.5
93.07037	13.0
95.04987	6.5
95.08601	15.1
97.06530	17.3
97.10196	1.8
99.04444	31.4
99.08093	7.4
105.04469	2.6
105.07030	22.2
107.04969	2.1
107.08596	24.4
107.09277	2.5
109.02884	2.5
109.06509	22.3
109.10141	16.2
111.08068	4.0
115.05439	1.7
117.07002	4.2
119.04927	1.6
119.08570	27.2
121.06493	8.5
121.10155	15.0
123.08056	8.9
123.11684	4.0
125.06012	3.8
125.09632	4.7
127.03907	4.7
127.07541	7.6
128.06212	2.7
129.06985	3.2
131.08563	17.8
133.06473	2.9
133.10126	21.4
135.08038	9.7
135.11688	8.6
137.06026	1.8
137.09598	9.3
139.11201	2.0
141.07019	2.3
142.07756	6.2
143.08591	10.4
144.09291	2.9
145.10114	23.5
147.08047	9.4
147.11697	14.0
149.05972	2.6
149.09602	10.0
149.13261	6.0
151.07553	1.9
151.11183	10.5
153.12712	10.0
155.08517	5.0
156.09341	10.2
157.10091	18.5
158.10864	5.4
159.08026	12.3
159.11682	16.8
160.08849	1.7
161.03462	12.5
161.09592	21.1
161.13261	8.2
163.07495	3.1
163.11165	9.6
163.14809	1.7
165.07042	1.5
165.09102	3.4
166.07816	1.7
167.08549	1.4
167.14279	2.2
168.09299	1.8
169.10127	6.3
170.10886	3.7
171.08041	2.8
171.11685	25.8
172.08812	2.4
172.12289	2.2
173.09612	10.2
173.13251	23.9
174.10352	3.7
174.13687	1.6
175.07607	1.9
175.11180	30.0
175.14708	1.5
176.11838	3.0
177.09132	3.4
177.12776	8.0
179.08435	1.6
179.10680	7.6
180.09248	1.5
181.06462	1.2
181.10080	4.5
183.07973	1.3
183.11694	5.8
184.08957	1.4
185.09641	5.3
185.13231	14.4
186.10400	2.7
187.11148	21.8
187.14786	8.4
189.09061	3.0
189.12729	29.3
191.10669	5.9
191.14305	25.2
193.12218	4.7
195.11678	4.2
196.12492	2.4
197.09631	1.7
197.13255	6.9
198.10379	2.1
199.11212	10.8
199.14848	5.0
200.11816	2.1
201.12726	7.6
201.16356	3.1
203.10645	4.9
203.14265	11.2
205.12279	4.6
207.13838	4.1
209.13412	2.6
209.15375	6.4
211.11211	3.3
211.14809	6.7
213.12747	12.6
214.13477	1.8
215.10837	3.1
215.14278	26.8
217.12230	15.6
217.15762	2.7
218.12885	1.5
219.13759	13.9
221.11662	3.2
225.12773	3.7
227.14236	9.4
229.15829	8.0
231.03998	12.8
231.13724	19.2
233.15393	18.1
235.13229	6.2
236.13866	1.6
237.14749	2.2
239.14311	3.0
239.17990	4.6
243.13829	6.5
243.17445	4.0
245.15372	7.4
247.13240	2.6
249.14793	6.3
253.15891	3.0
255.13789	4.4
257.15393	4.8
257.18930	2.5
261.14886	3.5
261.18488	4.2
263.16333	2.7
269.19077	1.7
271.16843	7.6
271.20737	2.0
273.14835	8.8
275.16348	5.2
281.15695	2.3
281.18872	2.9
287.20016	3.6
289.18262	2.9
291.15863	3.8
299.16397	5.7
299.20056	16.5
305.21164	3.6
307.19025	1.3
317.17441	79.8
317.21091	40.6
318.17715	5.3
318.21234	2.6
335.10446	2.1
335.18381	11.6
335.22147	42.0
336.18686	1.8
336.22537	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	335.2216
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03932	2.8
55.01864	1.9
55.05495	3.7
57.03434	9.6
57.07072	2.3
67.05494	7.7
69.06739	1.3
69.07067	9.1
70.06585	3.1
70.49086	1.7
71.04999	2.5
71.08621	1.1
79.05053	1.5
79.05491	29.1
81.07053	100.0
82.07387	2.1
83.04977	2.5
83.08614	1.6
85.06541	14.3
85.92361	1.0
88.07609	1.0
91.05479	3.5
93.07056	7.6
95.04967	3.2
95.08603	13.4
97.06531	11.3
99.04443	4.6
99.08080	6.8
102.09218	1.2
105.07026	8.7
107.04967	1.1
107.08573	10.4
109.06516	17.5
109.10146	11.8
110.04316	1.1
111.08102	1.6
117.07000	1.8
119.08569	12.2
121.06526	2.0
121.10117	8.1
123.08032	3.9
123.11698	3.1
125.09606	3.9
127.07555	10.3
131.08563	5.9
132.10167	1.5
133.10106	10.8
135.08031	3.8
135.11688	6.6
137.09598	3.2
137.20740	1.0
142.07806	1.3
143.08559	3.6
144.09398	1.1
145.10121	13.1
146.11710	1.5
147.11708	4.4
149.09630	3.3
149.13206	2.6
151.11174	10.0
153.12730	6.9
155.08513	1.6
157.10094	5.1
158.10886	5.2
159.07988	2.2
159.11688	4.6
161.03409	2.9
161.09634	5.1
161.13249	1.7
163.11143	3.2
163.14806	1.9
165.09100	1.7
167.14365	3.0
171.11752	4.8
173.09631	6.4
173.13252	20.1
175.11096	6.4
176.11923	2.4
179.10670	4.3
183.11740	2.8
185.13277	3.6
186.10384	3.0
187.11188	8.2
187.14836	4.5
189.12756	8.2
191.10580	1.5
191.14291	25.2
192.01195	1.0
193.08640	1.7
193.12259	2.0
197.13237	4.2
199.14783	1.6
200.11908	1.2
201.12715	2.5
201.16365	1.3
203.14264	9.5
205.12163	1.0
207.13773	1.5
209.15323	6.8
211.14789	2.1
213.12808	3.0
215.14304	27.6
216.14754	1.1
217.12172	2.4
217.15872	3.7
219.13715	2.7
221.11734	3.3
225.12700	2.1
225.16335	1.3
227.14253	1.8
228.23392	1.5
229.15834	4.2
229.23557	2.6
231.03992	4.1
231.13823	10.7
231.17552	1.3
232.73192	1.0
233.15369	17.2
236.14125	2.8
239.14247	1.7
239.17969	4.7
243.13817	2.9
243.17465	2.7
245.15527	1.6
249.14864	4.6
249.18565	1.3
253.19626	1.3
257.15335	3.2
257.18976	2.1
261.18460	2.5
269.19012	2.2
271.16956	3.4
271.20456	2.3
272.25665	2.3
273.26135	9.4
275.16498	1.9
281.18961	4.5
287.20087	5.1
289.21664	1.3
299.20038	17.6
305.21173	4.6
317.21082	45.2
318.21338	1.9
334.29361	1.4
335.22144	48.1
335.29831	26.7
336.22537	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2213
Annotation	Enanderianin P
Peak:m/z	Relative Intensity
53.03945	1.8
55.01873	2.8
55.05498	4.6
57.03429	12.9
57.07069	3.8
59.04995	1.6
67.05504	8.6
69.03423	1.4
69.07065	15.1
69.50550	4.1
70.06581	5.1
71.04990	3.5
79.05486	29.5
81.07052	100.0
83.04977	3.0
83.08602	1.6
85.06544	15.8
91.05477	3.5
93.07021	10.7
95.04957	2.7
95.08593	11.8
97.06515	13.1
99.04441	5.7
99.08104	5.6
99.25867	1.2
105.07026	8.2
106.11688	1.2
107.08598	9.3
109.06519	14.8
109.10149	11.9
117.07047	2.4
119.08577	13.2
121.06502	2.9
121.10117	7.3
123.08065	6.2
123.11728	4.0
125.09638	4.5
127.07522	8.0
131.08537	7.4
133.10112	8.7
135.08029	3.9
135.11690	6.6
137.09599	3.8
139.92432	1.5
142.07823	1.3
143.08546	5.1
144.09319	2.1
145.10110	11.9
146.11774	1.8
147.08093	2.0
147.11722	4.0
149.09624	4.0
149.13275	1.6
151.11177	7.5
153.12730	5.1
156.09283	2.6
157.10135	5.4
158.10901	4.6
159.08005	2.7
159.11638	6.8
161.03426	4.2
161.09589	6.9
161.13272	2.1
163.11160	2.1
165.09126	3.0
165.12791	2.0
169.10086	2.7
171.11653	6.7
173.09663	4.0
173.13237	24.7
175.11195	5.6
176.11928	2.2
177.12740	1.8
179.10701	4.7
180.11464	1.8
181.12029	1.3
183.11655	4.7
185.13174	6.6
186.10376	2.0
187.11163	9.0
187.14798	8.0
189.12712	16.1
190.13176	1.4
191.14287	18.1
193.08641	1.9
193.12146	2.1
195.11655	1.7
197.13210	10.1
199.11224	1.5
199.14793	1.6
200.11913	3.3
201.12653	4.2
201.16415	3.9
203.10608	3.8
203.14281	10.2
205.12245	1.9
209.15324	4.8
210.14211	1.7
211.14803	5.3
213.12698	5.1
215.14304	21.8
217.12175	1.8
217.15829	1.9
218.13144	2.1
219.13864	4.3
221.11685	2.9
225.12654	3.9
225.16325	1.6
227.14363	2.9
228.23329	1.5
229.15883	13.5
229.23535	3.6
231.03989	4.7
231.13762	15.2
233.15349	9.0
236.14041	3.3
237.16414	4.3
239.14296	5.1
239.17947	19.6
241.15799	1.6
243.13768	4.4
245.15434	1.7
249.14920	9.0
253.15829	2.7
257.15445	4.6
257.18936	2.5
261.18387	2.3
263.18045	6.6
269.18970	1.8
271.16965	1.5
271.20673	2.2
273.26175	9.0
281.19000	11.3
287.20071	4.2
299.20032	27.0
300.20361	2.5
305.21109	5.0
317.21045	26.3
318.21411	1.5
335.10184	1.8
335.22150	38.9
335.29742	25.9
336.22559	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.52785	1.1
55.01864	1.7
55.05260	1.8
55.05504	20.9
56.92964	1.2
57.03431	26.0
57.07051	2.5
58.35299	1.0
65.03936	3.9
67.05497	100.0
68.05822	1.6
69.07063	19.0
69.33969	6.5
77.03894	1.8
79.05485	49.5
80.05836	1.2
81.07047	83.0
83.04987	1.5
83.08608	8.8
91.04885	1.0
91.05473	24.4
93.07034	49.3
94.07367	1.5
95.04966	6.2
95.08595	69.1
96.08920	1.2
97.06512	2.6
97.10140	3.0
99.08095	1.7
101.28860	1.1
105.04483	2.6
105.07028	14.3
107.08582	27.0
109.06513	1.6
109.10145	27.8
111.08102	1.2
111.11721	1.2
116.06164	1.1
117.06994	5.4
119.08559	12.5
121.10123	19.6
123.11695	11.0
129.05482	1.1
131.08548	7.3
133.10126	9.0
135.11681	13.3
137.13216	2.4
145.10133	6.6
147.11641	7.6
149.13242	7.9
151.14745	1.2
159.11670	5.9
161.13232	5.4
163.14801	3.5
173.13268	4.3
175.14810	1.2
181.40656	1.0
187.14853	2.6
243.21060	5.9
261.22211	7.1
317.24661	3.0
335.25766	83.5
336.26089	4.8
343.81165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	1.3
55.05259	1.4
55.05510	21.6
57.03439	22.5
57.07065	3.4
65.03928	3.3
67.05504	81.7
67.22063	0.7
68.05853	0.9
69.06713	1.3
69.07069	18.8
69.38193	0.9
71.04990	1.7
71.08623	0.9
73.02051	0.7
77.03897	1.5
79.05492	47.2
81.07054	82.8
82.07405	1.6
83.04975	2.2
83.08623	9.1
85.06532	2.8
91.05477	24.4
93.07044	52.9
94.07345	1.4
95.04965	7.6
95.08605	63.9
96.08909	0.9
97.06520	3.5
97.10177	3.3
98.22572	1.5
98.98499	0.9
99.08074	1.1
105.04525	16.7
105.07027	17.9
107.08595	26.1
108.08878	1.0
109.06489	4.0
109.10152	25.0
110.06802	0.9
111.08105	0.9
115.17032	0.7
117.07016	5.6
119.06059	1.2
119.08568	14.5
121.10145	23.2
123.08073	1.3
123.11718	9.1
129.05437	1.7
131.08556	10.4
132.13803	0.8
133.03951	2.7
133.10127	11.7
135.08031	1.1
135.11697	15.8
137.09692	0.9
137.13255	3.4
145.10109	9.1
147.05553	3.6
147.11691	7.4
148.03940	1.2
149.13257	11.0
151.11165	1.5
159.11690	6.6
161.03461	45.2
161.13246	6.1
162.03806	1.6
163.05191	1.0
163.11241	0.8
163.14803	4.3
165.12735	2.6
173.13235	5.2
175.14818	2.7
177.16376	1.2
182.89717	0.8
187.14847	3.3
203.04507	5.6
231.04004	45.5
232.04410	1.8
243.21007	6.3
261.22092	9.8
279.23361	1.0
317.17801	0.9
317.24789	4.1
335.10355	8.1
335.18988	2.9
335.25787	100.0
336.10583	1.5
336.26172	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01868	1.4
55.05507	26.0
57.03433	25.2
57.07077	2.2
60.42808	0.6
65.03947	4.8
67.05499	100.0
68.05846	1.7
68.53516	0.6
69.03412	1.1
69.07062	23.3
69.59911	0.5
70.04166	1.4
71.04990	2.4
71.08616	1.0
72.04509	2.6
77.03921	2.1
79.05486	52.3
80.05824	1.3
81.07049	80.2
82.07392	1.8
83.04966	2.7
83.08608	9.0
85.06538	2.0
88.34467	0.5
91.05472	24.5
93.07035	50.9
94.07354	1.3
95.04960	7.3
95.08596	65.2
95.59760	0.6
96.08918	1.3
97.06534	4.7
97.10153	3.3
99.08081	1.6
105.04516	4.2
105.06346	1.0
105.07020	13.2
107.08582	22.7
109.06512	2.4
109.10149	23.9
110.10503	0.9
111.08073	2.2
117.06989	4.3
119.08562	9.6
121.10132	19.5
122.10467	0.5
123.08051	2.3
123.11694	5.9
125.09619	0.7
127.07474	0.5
131.08549	8.4
133.10121	7.9
135.08029	1.4
135.11682	9.8
137.09532	0.7
137.13237	1.9
143.08507	0.7
145.10115	4.2
147.11676	3.7
149.13254	5.2
150.13565	0.7
151.11082	0.8
157.10091	0.7
159.11699	3.3
161.03462	5.8
161.09566	0.7
161.13228	2.9
163.11191	0.7
163.14784	2.1
165.12691	2.1
166.13052	2.0
173.13304	3.4
175.14792	1.4
177.16301	1.1
187.14722	1.7
193.36479	0.6
195.09914	1.4
197.13304	0.7
199.14691	0.7
203.04391	0.8
205.15729	0.7
209.87476	0.6
231.03990	6.6
237.20398	1.2
243.21010	1.2
257.18893	1.5
261.22037	2.5
335.21713	38.8
335.25635	81.3
336.22064	2.5
336.25906	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.61074	0.8
53.03942	3.0
55.01865	1.7
55.05510	23.2
56.09459	1.0
56.75999	0.9
57.03436	27.6
57.07060	3.9
59.34826	0.9
59.38662	0.9
60.60220	0.8
65.03933	4.1
67.05502	97.5
68.05829	1.5
69.06714	1.4
69.07065	23.4
71.04987	1.7
71.08633	1.3
77.03927	1.9
79.05489	49.8
81.07053	90.1
82.07380	2.0
83.04982	2.1
83.08625	10.1
85.06541	2.9
91.04942	1.8
91.05477	27.9
93.07043	57.5
94.07363	1.8
95.04975	8.6
95.08602	74.5
97.06523	3.2
97.10164	2.9
98.23507	2.0
99.08108	2.1
104.68078	1.1
105.04510	5.1
105.07026	16.6
107.08591	29.1
109.06512	5.6
109.10153	30.7
111.08095	2.7
117.07013	4.2
119.08578	14.4
120.95164	1.0
121.10136	20.1
122.08417	0.9
123.08056	2.8
123.11726	11.1
123.73640	1.0
129.05476	1.5
129.07004	1.1
131.08554	13.4
133.10130	9.9
135.08093	1.2
135.11682	16.6
137.09610	1.4
137.13223	3.8
139.45016	0.9
145.10117	10.3
147.11685	7.8
149.13225	8.6
151.14772	0.9
159.11653	5.3
161.03474	13.1
161.13249	5.5
163.14803	4.7
165.12753	7.2
173.13260	6.6
175.14841	2.2
176.06642	0.9
177.12692	1.5
177.16388	1.7
184.24995	0.9
187.14819	3.3
191.14264	1.1
201.16495	1.0
203.04591	1.1
228.77940	1.1
231.04005	14.1
232.04373	1.0
243.21107	4.2
261.22128	8.3
277.21591	1.2
279.19647	1.1
279.23090	1.9
317.24789	5.6
335.10318	2.8
335.25787	100.0
336.26132	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	5.5
55.01868	1.9
55.05258	1.9
55.05508	27.4
55.72848	1.5
57.03434	24.1
57.07051	2.7
65.03922	3.6
67.05502	100.0
67.91988	1.5
69.07060	18.2
71.04978	3.8
71.08650	1.6
71.18391	2.2
71.18726	1.6
77.03915	2.3
79.05489	47.9
80.09567	1.4
81.07053	78.6
83.04983	3.0
83.08620	7.8
85.06519	1.8
91.05485	24.1
93.06451	2.6
93.07040	48.7
95.04952	5.4
95.08601	61.0
95.09212	3.4
97.06544	2.8
97.10175	2.9
98.98448	1.5
105.04544	2.7
105.07037	12.9
107.08597	20.9
109.10151	24.5
111.08047	1.6
114.50400	1.4
117.06985	3.3
117.90189	1.3
119.08568	9.3
121.10149	18.9
123.08022	1.6
123.11684	7.7
131.08563	6.3
133.10104	9.0
135.11702	9.7
137.13263	2.7
145.10152	3.4
147.11664	4.5
149.13252	4.2
159.11736	3.7
161.03517	3.5
161.13226	2.9
161.87700	1.5
173.13188	4.0
174.74716	1.4
180.91406	1.5
191.14287	2.5
231.03978	4.6
261.22125	2.5
275.24753	1.4
335.25754	76.9
336.26108	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	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03934	2.8
55.01845	1.3
55.05262	1.9
55.05508	27.3
57.03433	29.0
57.07059	1.8
65.03939	5.6
67.05502	100.0
68.05827	1.9
69.06706	1.7
69.07067	24.1
69.89841	3.2
69.90209	2.0
71.04979	3.3
71.08640	1.2
77.03938	2.6
79.05490	48.8
81.07053	83.8
82.07386	2.3
83.04987	2.3
83.08619	7.2
85.06536	2.9
91.04936	2.1
91.05471	24.2
93.07046	52.8
94.07342	1.6
95.04964	7.6
95.08601	69.1
96.08953	1.9
97.06521	2.3
97.10154	3.5
97.40523	0.9
99.08102	1.1
105.04522	2.9
105.07025	15.8
107.07932	0.8
107.08587	23.1
109.06515	2.5
109.10155	27.6
111.08136	1.4
117.07030	4.1
119.08570	9.9
121.10143	20.3
123.08054	1.3
123.11669	6.7
131.08566	9.6
133.10127	10.3
135.08087	1.2
135.11684	12.5
136.52612	1.1
137.09644	1.7
137.13235	1.7
145.10156	5.4
147.11691	4.9
149.13235	6.8
159.11688	3.4
161.03464	3.1
161.13246	4.0
163.14838	2.0
173.13243	3.0
175.14894	1.7
187.14900	1.2
195.13521	1.1
231.03979	2.3
236.44261	1.0
243.21091	1.4
261.22162	4.6
318.62054	1.2
335.25778	82.1
336.26031	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
53.42572	1.1
55.01857	1.5
55.05511	23.2
57.03435	27.4
57.07052	3.3
65.03928	4.4
67.05501	93.0
68.05823	1.2
69.07063	19.6
69.66489	4.2
71.04976	3.0
72.04510	2.0
77.03909	2.1
79.05488	49.1
79.05952	2.4
80.05824	1.7
81.07053	83.5
82.23130	1.3
83.04971	2.5
83.08625	7.8
85.06509	1.9
91.05473	25.0
93.07037	49.5
94.07363	1.2
94.99930	1.0
95.04971	7.3
95.08600	67.4
96.08950	1.6
97.06511	3.4
97.10143	4.5
101.18153	1.0
101.30128	1.0
105.04508	4.1
105.07024	16.4
107.08592	26.3
109.06522	2.5
109.10151	29.5
110.10511	1.4
111.08144	1.6
117.07026	4.0
119.08591	11.0
121.10137	22.9
123.08070	1.9
123.11717	8.4
131.08566	9.2
133.10123	11.0
134.10384	1.4
135.11679	13.7
137.09584	1.6
137.13251	1.7
145.10081	6.5
147.11678	7.8
148.73337	1.2
149.13243	8.9
151.14722	1.3
157.10080	1.1
159.11673	4.4
161.03450	8.5
161.13261	3.9
163.14818	4.0
165.12726	3.3
166.13008	2.3
173.13260	4.5
175.14781	1.8
177.16356	2.0
187.14809	1.7
194.57652	1.1
231.04044	9.1
237.20280	1.2
243.21095	4.7
261.22125	8.7
289.21545	1.2
317.24652	2.5
335.25757	100.0
336.26141	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	2.0
55.01864	2.0
55.05510	23.2
57.03438	29.4
57.07063	3.9
65.03936	3.6
67.05504	100.0
68.05820	2.1
69.07070	20.2
69.32676	1.3
69.33363	4.2
71.04976	2.7
72.72474	1.2
77.03929	3.1
79.05492	54.5
79.05952	2.7
81.07059	94.5
81.91811	1.2
82.07372	1.7
83.04994	2.2
83.08614	6.6
85.06541	1.5
91.05478	26.6
93.07048	52.0
94.07373	1.2
95.04969	4.9
95.08606	73.4
96.08929	1.4
97.06528	3.3
97.10157	2.3
99.08073	1.3
103.05480	1.3
105.04528	2.4
105.07030	16.8
107.08591	30.0
109.06510	3.5
109.10151	29.0
111.08093	1.8
117.07007	4.6
119.08588	12.5
121.10137	21.7
123.08112	1.2
123.11690	10.8
124.48622	1.2
125.09618	1.4
129.05508	2.0
131.08580	10.5
133.10143	8.0
135.11696	18.3
137.09680	1.3
137.13251	3.5
145.10066	6.8
147.11681	6.5
149.13269	8.5
159.11685	4.3
160.31348	1.7
161.13188	5.7
163.14842	4.2
173.13290	4.3
177.16457	1.2
187.14838	1.7
200.33022	1.2
207.28391	1.1
243.21141	4.7
261.22113	7.1
317.24826	2.8
335.25803	87.5
336.26233	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	2.7
55.01866	1.7
55.05261	1.8
55.05511	23.2
57.03435	28.9
57.07059	3.4
65.03929	4.8
67.05501	97.8
68.05826	1.5
69.03423	1.0
69.07066	21.3
70.42017	0.9
71.04979	2.8
71.08622	1.6
74.58764	0.9
77.03927	2.2
79.05490	47.8
80.05824	1.0
81.07053	100.0
82.07375	1.5
83.04986	2.3
83.08611	8.7
85.06517	2.2
91.05475	27.1
93.07041	58.5
94.07390	1.1
95.04952	6.3
95.08602	75.0
96.08956	1.4
97.06523	3.1
97.10157	4.6
105.04516	4.9
105.07021	18.3
106.07343	1.0
107.08586	29.1
109.06521	2.3
109.10152	31.5
111.08114	1.7
117.07003	5.0
119.08562	12.2
121.10139	24.3
123.08081	2.3
123.11701	10.5
124.52120	0.9
125.09602	1.6
128.16620	1.0
129.05469	1.3
131.08556	10.9
133.03941	1.0
133.10135	12.0
135.11696	16.2
137.13248	4.2
139.11150	1.1
143.08562	0.9
145.10121	7.9
147.11682	5.1
149.13261	9.4
151.11160	1.5
159.11676	4.7
161.03462	11.5
161.13248	6.1
163.14819	3.9
173.13283	6.2
175.14813	2.2
177.12787	1.0
177.16322	1.4
187.14830	3.8
201.16232	1.8
203.04521	1.0
231.03995	10.2
243.21127	6.1
261.22122	9.9
317.24634	4.2
335.10016	1.8
335.22363	4.0
335.25778	96.8
336.26144	7.3
349.50214	1.1
350.02859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14441	2.9
53.03942	3.5
55.05511	22.0
56.05830	4.4
56.83463	3.3
57.03435	24.0
57.07078	4.6
58.03774	5.0
58.57090	3.4
67.05505	83.5
68.05827	20.6
69.07061	18.9
79.05494	49.3
80.05824	14.1
81.07061	92.2
82.07372	20.1
83.04998	3.5
83.08628	12.9
84.10897	3.7
91.05483	28.1
92.05835	10.0
93.07047	60.6
94.07348	18.2
95.04968	8.4
95.08608	86.9
96.08944	22.9
97.06577	4.2
97.10168	3.5
105.04517	6.8
105.07021	22.2
106.07379	5.4
107.08601	39.3
108.08946	11.2
109.06476	4.1
109.10162	63.5
110.10493	12.9
111.08076	4.2
117.07026	9.7
119.08573	18.5
121.06492	3.2
121.10152	33.7
122.10486	13.3
123.11713	33.8
124.12011	4.9
125.05989	6.7
131.08582	12.2
132.08852	6.4
133.10159	12.1
135.11670	23.0
136.12036	11.5
137.13246	7.5
138.82784	3.6
139.07549	10.2
145.10133	11.5
146.10495	5.1
147.11644	5.2
149.13255	14.9
150.13600	8.1
153.09077	9.1
159.11668	8.6
161.03490	10.6
162.03824	9.1
162.13640	3.9
163.14748	4.4
166.88525	3.2
167.10732	4.2
174.13673	4.0
176.15199	4.3
179.10738	3.3
191.10629	21.8
193.12245	3.5
205.12212	19.7
207.13921	8.1
219.13797	14.8
231.04045	12.1
231.13780	3.7
232.04361	15.8
233.15451	6.1
234.01213	3.7
244.21335	8.8
262.22513	8.8
289.21585	62.7
290.21982	4.7
301.21628	35.8
301.61557	3.0
318.24619	4.0
319.22861	4.6
336.10266	4.6
336.22232	18.7
336.26053	100.0
337.26501	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	336.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95419	4.2
55.05503	12.4
57.03438	6.8
67.05505	34.6
68.05831	6.6
69.07056	12.4
69.23441	4.1
69.70837	13.9
79.05495	22.1
80.05839	6.8
81.07056	31.4
82.07404	7.6
83.08639	5.4
83.38430	4.2
91.05486	20.7
93.07043	45.1
94.09608	3.8
95.05035	3.7
95.08614	48.5
96.08936	7.5
105.04511	8.2
105.07036	18.7
106.04899	5.6
107.08590	35.5
109.06542	5.0
109.10155	56.0
110.10455	4.0
111.04442	13.0
117.07024	10.7
119.08580	15.6
121.10146	51.9
123.08051	6.5
131.08539	14.9
133.10150	10.4
135.04440	10.1
135.11696	20.9
139.07539	13.9
143.08551	9.2
145.10114	14.6
147.11681	5.4
149.13251	10.3
153.09059	12.4
159.11671	15.3
161.03465	21.5
162.03777	15.9
171.11700	8.1
179.10672	6.1
187.11156	4.8
191.10616	21.0
205.12238	62.7
217.12260	52.9
219.13667	5.3
231.04076	22.5
231.13782	5.4
232.04286	31.2
245.15117	4.7
256.56281	4.3
278.07074	4.6
301.21594	100.0
302.21878	6.0
318.38800	4.4
336.22333	5.3
336.25989	26.0
337.23801	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17087	1.3
52.45258	1.5
60.57771	1.7
63.22219	1.5
65.03922	3.9
67.05485	2.1
69.03448	1.6
69.66830	6.3
70.06575	2.0
79.05504	3.6
81.07047	1.6
82.04161	1.5
83.92423	1.5
84.08111	1.8
85.02901	2.6
86.09718	3.7
90.68696	1.4
91.05445	1.8
95.04948	1.5
98.22729	1.8
105.07038	1.5
107.08589	1.8
110.07209	1.5
112.83179	1.4
120.08080	7.4
121.79026	1.5
127.80636	1.3
128.07219	1.4
143.98253	1.5
145.02855	1.4
148.48235	1.5
152.07063	2.2
153.05473	2.8
162.06709	2.3
163.03963	7.3
171.06491	3.7
180.06516	2.1
181.04942	55.5
182.05368	2.3
187.03960	1.4
190.03149	2.0
191.07915	1.6
193.71727	1.5
203.03136	100.0
204.03426	3.6
221.04221	5.1
234.06633	2.3
236.79356	1.6
239.03979	1.9
290.05685	1.7
294.05142	1.8
305.07932	7.2
309.07635	2.0
322.08347	2.0
336.22687	3.9
337.05338	22.4
337.10739	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	337.0892
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
56.96557	6.5
63.52074	3.4
63.53066	3.2
71.40372	3.7
78.45338	4.3
98.97574	14.1
110.97533	6.2
116.98627	6.6
125.63793	3.1
128.98558	3.5
129.97601	3.8
138.92543	3.6
158.99680	3.9
160.24191	3.4
180.09988	7.7
219.01897	14.3
237.02748	6.9
263.00763	4.6
265.71695	3.9
277.02228	4.2
277.05426	3.6
295.07101	8.4
295.10614	4.6
314.09344	5.4
332.10217	4.8
337.08911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01855	5.3
55.05508	42.3
57.03434	25.0
57.07073	22.8
61.02912	5.2
61.90928	1.5
63.07884	1.5
64.71831	1.6
65.03938	2.5
67.05499	53.8
69.03425	18.4
69.07068	33.7
69.67999	1.6
70.84517	2.0
71.01345	4.4
71.05003	12.7
71.41724	1.5
73.02917	12.9
73.06541	5.5
75.04496	2.4
77.03889	2.0
79.05488	44.2
79.05947	2.4
81.03405	6.5
81.07055	72.1
83.04987	7.8
83.08624	17.7
84.47305	1.7
85.02895	9.9
85.06535	29.6
85.10178	2.2
85.26300	1.5
87.04449	2.6
91.05478	22.0
93.07033	26.4
95.04958	7.1
95.08603	34.8
97.02859	3.1
97.06507	5.5
97.10159	6.2
99.04453	6.5
99.08099	6.5
103.03938	4.5
103.07559	2.7
104.06239	1.7
105.07040	7.0
107.04896	1.7
107.08585	14.8
109.06516	18.9
109.10170	13.7
111.04450	6.6
111.08075	33.7
111.11662	1.7
115.03928	5.5
115.05456	1.7
115.07574	3.7
117.07005	2.1
117.57811	1.6
119.08578	3.5
121.10123	6.7
123.08048	6.3
123.11691	5.6
125.09650	7.5
127.07549	15.6
129.05515	3.7
129.09088	4.3
133.10124	35.9
134.27728	1.5
135.08051	4.9
149.09607	100.0
150.09962	1.9
153.09100	20.3
161.13295	2.3
171.10175	21.9
175.14850	2.0
189.11212	3.8
263.23770	3.2
265.04480	1.8
297.53101	1.7
337.27292	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	(E,E,E,E)-1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one
Peak:m/z	Relative Intensity
52.03169	1.0
53.03918	2.4
55.01883	0.9
55.05508	8.0
57.03173	1.5
57.03435	14.5
57.07082	1.6
65.03943	1.1
67.05493	7.4
69.03434	2.5
69.07061	11.9
69.26674	4.9
69.27094	1.7
70.56980	0.9
71.05000	1.9
71.08614	0.9
73.06544	3.3
79.05489	31.4
81.07052	100.0
82.07382	4.1
83.04975	5.1
83.08598	2.6
84.72874	1.2
85.06538	52.2
86.06876	1.6
88.70394	1.0
91.05463	6.6
93.07037	11.4
95.04954	4.0
95.08606	10.3
97.06516	8.1
99.08078	15.9
105.07010	20.0
107.08588	17.0
109.06503	10.4
109.10162	10.0
110.10460	1.1
111.08092	2.2
113.09663	1.9
115.07573	2.6
117.07012	2.2
119.08571	20.3
121.06533	1.3
121.10136	68.5
122.10447	2.5
123.08062	8.6
123.11681	3.0
125.09615	4.6
127.07537	9.8
129.06978	1.3
131.08533	7.8
133.10115	21.6
133.11032	1.9
134.10457	1.7
134.97641	1.0
135.08015	2.0
135.11679	9.6
137.09572	6.7
137.13252	2.8
139.11157	1.7
142.07756	1.6
143.08565	2.7
144.09338	1.4
145.10106	8.5
146.10468	1.1
147.07928	1.4
147.11650	8.6
149.09616	4.4
149.13240	2.5
151.11159	5.1
156.09372	1.6
157.10110	5.7
157.23068	1.1
158.10788	1.4
159.08112	1.5
159.11674	11.6
161.09598	3.3
161.13248	4.0
163.11183	7.7
165.12735	2.6
168.09181	1.1
169.10173	1.6
171.11647	5.2
173.09567	1.8
173.13283	6.9
173.14548	1.2
174.13539	1.1
175.11229	7.8
175.14806	35.1
176.15160	1.4
177.09023	1.0
177.12740	9.3
183.11671	1.4
185.13275	4.0
187.11142	3.4
187.14787	3.9
189.12755	4.3
191.14305	4.1
193.15872	48.7
194.16185	2.4
195.13780	1.3
197.13240	2.8
199.14787	4.6
201.12727	1.8
201.16417	1.8
203.14336	7.4
205.15878	1.7
211.14830	1.9
213.16319	2.0
215.14273	11.1
215.17897	1.2
216.14601	1.3
217.15883	2.4
219.13708	1.6
220.14583	1.1
220.97543	1.0
221.13344	1.5
221.15323	6.9
225.16351	2.1
227.17995	2.1
229.15871	3.4
231.17430	2.6
233.15375	15.8
234.06685	1.9
234.15565	1.1
235.16922	2.0
241.15927	2.1
241.19502	1.7
243.17488	3.0
245.19067	1.5
257.19119	1.3
259.17020	1.6
261.18454	4.5
262.06412	1.8
265.19553	1.6
271.20569	2.5
283.20532	6.8
289.21622	2.9
290.05679	1.3
301.21588	23.5
305.07990	2.2
319.22623	37.2
320.23151	2.2
337.10544	3.7
337.23651	45.5
338.23944	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	337.2374
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
55.05494	8.3
57.03435	10.2
57.37224	5.2
67.05489	6.1
69.07067	7.6
69.83061	15.7
79.05484	25.1
81.07053	100.0
85.06554	37.0
91.05467	11.0
93.07037	11.8
95.04976	5.6
95.08611	6.7
97.06529	7.5
98.97538	4.5
99.08094	15.9
104.54431	4.3
105.07040	19.5
107.08581	17.2
109.06545	7.7
109.10128	5.2
119.08569	17.6
121.10140	70.8
121.69370	4.5
123.08060	9.6
123.29007	4.3
125.09588	10.0
127.07565	9.0
131.08493	5.3
133.10146	24.0
135.11702	5.8
137.09576	5.3
147.11693	8.6
157.10115	7.0
163.11139	9.1
175.11061	6.4
175.14798	31.9
177.12709	11.1
193.15880	58.3
203.14322	10.1
215.14297	15.7
225.99174	5.3
233.15318	14.6
240.11855	4.6
301.21487	13.9
307.88965	4.7
319.22522	39.0
321.20572	5.2
337.23654	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	(E,E,E,E)-1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one
Peak:m/z	Relative Intensity
53.03917	1.4
55.01880	1.7
55.05497	5.3
57.03436	18.5
67.05491	5.2
69.07059	6.5
69.45424	4.5
73.06558	2.3
79.05490	24.6
81.07051	100.0
82.07396	2.1
83.04957	1.7
83.08627	1.9
85.06536	59.4
86.06859	1.9
91.05468	5.0
93.07052	12.2
95.08578	6.0
97.06520	4.9
99.08086	12.8
105.07020	16.5
107.08586	12.8
109.06536	8.2
109.10149	5.0
111.08078	1.6
113.05914	1.4
115.07537	1.3
117.07005	2.0
119.08569	19.1
121.10135	74.0
123.08072	10.8
123.11750	1.6
125.09591	6.8
127.07539	6.3
130.69896	1.3
131.08595	6.5
133.10115	19.6
135.08049	2.6
135.11711	7.7
137.09595	5.0
137.13271	1.5
139.11180	1.6
142.07832	1.7
143.08505	3.7
145.10112	6.2
147.11679	5.8
149.09610	2.4
149.13205	2.8
151.11130	3.9
155.08510	1.5
156.09352	1.9
157.10106	6.1
158.10841	1.9
159.11682	8.2
161.09592	2.5
161.13287	2.4
163.11174	5.2
165.12701	2.3
171.11674	4.6
173.09595	2.7
173.13271	5.6
175.11256	6.9
175.14799	34.4
177.12688	8.8
185.13292	3.1
187.11212	4.4
187.14859	3.2
189.12646	6.7
191.14293	3.0
193.14073	2.7
193.15866	57.4
194.16269	2.1
197.13194	3.2
199.14835	1.7
201.12770	2.0
203.14264	10.1
209.13235	1.4
215.14307	13.5
217.15823	3.5
220.14566	1.7
221.15350	5.1
223.14691	1.6
227.17982	1.7
229.15919	2.0
231.17325	1.8
233.15344	17.0
235.16914	2.9
241.15816	3.1
243.17534	2.5
257.18924	1.6
261.18484	6.0
275.19885	1.7
283.20547	4.8
289.21536	2.2
301.21631	20.3
319.22659	38.7
320.22910	2.7
337.23691	57.6
338.24146	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
53.03929	2.8
55.01872	1.3
55.05508	7.0
56.12429	1.0
57.03428	15.8
57.07064	3.0
59.04999	1.3
65.03934	1.8
67.05488	10.1
69.03416	4.0
69.07066	13.6
69.45366	5.4
71.04979	4.6
73.06535	1.4
77.03923	1.5
79.05483	30.3
81.07049	100.0
82.07384	2.4
83.04975	10.5
83.08610	3.1
85.02885	1.2
85.06533	16.4
91.05449	7.0
93.07030	13.8
95.04937	2.9
95.08601	18.1
97.06530	15.1
97.10143	1.0
98.22640	1.3
99.04444	4.8
99.08079	10.1
101.06001	1.0
105.07023	16.9
107.08583	20.1
109.06503	13.6
109.10150	11.7
111.08063	7.2
113.05994	3.0
113.09631	2.5
117.06998	2.6
119.08563	27.3
120.08871	1.4
121.06513	3.0
121.10127	47.2
122.10520	1.3
123.08048	6.2
123.11661	5.1
125.09612	19.2
127.07529	5.7
127.11227	5.2
128.06178	1.7
129.06976	2.3
131.08556	6.4
133.06493	1.4
133.10118	21.9
135.08012	5.1
135.11684	14.9
137.09602	6.4
137.13190	1.2
139.11171	9.1
142.07814	1.6
143.08536	5.0
144.09271	2.1
145.10101	13.1
147.08047	1.7
147.11655	12.4
149.09581	3.7
149.13235	3.2
151.11169	6.3
153.12688	2.0
155.08543	1.4
156.09303	1.6
157.10143	8.2
157.12180	9.4
158.10858	2.1
159.08037	1.1
159.11667	15.9
161.09631	2.7
161.13287	5.2
163.11119	9.4
163.14848	1.9
165.12726	5.0
167.10661	1.4
167.14323	1.1
169.10083	2.0
169.12228	1.5
170.10919	3.2
171.11691	10.6
173.09637	3.0
173.13240	16.0
175.11165	6.5
175.14810	22.9
176.11937	2.0
177.12759	8.3
181.12196	6.7
182.10930	1.6
183.11668	4.6
184.12239	1.1
185.13243	11.1
187.11191	2.5
187.14793	8.0
189.12743	3.5
189.16376	2.2
191.14285	29.6
193.12160	9.2
193.15865	7.0
197.13226	4.9
199.14838	5.6
201.12668	4.2
201.16370	4.7
202.17087	1.0
203.14281	11.8
203.23477	1.0
205.12216	33.3
205.15820	2.2
206.07161	1.2
209.13268	2.1
209.15363	3.4
211.13170	2.2
211.14925	2.7
213.12727	1.4
213.16393	4.4
215.14278	16.1
215.17828	2.0
217.15887	4.0
219.13869	5.6
220.14557	19.6
221.15283	8.4
225.16478	2.6
227.14278	2.6
227.17940	3.1
229.15846	5.1
231.17497	2.2
233.15379	2.4
234.06825	1.2
239.17838	3.2
241.15846	2.4
241.19519	3.1
243.17418	2.9
245.15343	2.2
245.19019	1.3
253.19530	2.0
255.17390	1.3
255.21063	4.9
257.18933	2.0
259.20590	2.0
261.18439	1.8
261.73483	1.1
265.19534	2.0
271.20483	6.8
273.18710	1.3
273.22058	3.0
283.20572	12.8
289.21609	16.8
290.05704	1.6
290.22003	1.8
301.21573	36.3
302.22006	3.5
305.08026	3.7
307.22690	8.4
319.22620	45.7
320.22855	4.0
337.10733	5.3
337.16519	1.8
337.23642	26.3
338.24054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	11H-14,15-EETA
Peak:m/z	Relative Intensity
53.03942	1.6
53.04904	0.8
55.01866	1.6
55.05517	3.7
55.05743	0.7
56.04215	0.6
57.03435	7.2
57.07071	1.1
63.82946	0.6
64.10692	0.7
65.03937	3.0
67.05499	7.8
69.07066	8.4
69.08855	5.1
71.04993	2.0
71.08598	0.7
79.05486	30.0
79.05951	1.5
81.07051	100.0
82.07391	1.8
83.04989	2.4
83.08609	1.7
85.06537	15.4
90.03440	2.4
91.05470	5.1
92.04995	3.6
93.05775	3.4
93.07034	10.2
95.04956	2.7
95.08598	8.5
97.06527	14.9
98.22713	1.5
99.00024	1.3
99.04470	1.4
99.08088	8.8
105.04503	0.9
105.07028	10.1
107.04956	0.8
107.08587	9.9
109.06508	9.4
109.10140	6.0
110.06040	0.7
111.08057	3.4
115.07549	5.4
117.07014	1.5
118.45918	0.7
119.08575	12.4
121.06445	1.0
121.10138	30.7
123.08064	5.9
123.11708	2.0
125.09627	5.4
126.01063	39.4
127.01917	1.8
127.07544	10.7
128.02626	76.0
129.02975	2.3
129.06989	1.0
129.09085	1.3
131.08586	4.2
133.10117	14.4
134.10463	0.7
135.08061	1.5
135.11690	5.2
137.09622	5.1
137.13223	0.9
139.11215	1.5
142.07816	0.8
143.08578	1.8
145.08629	1.5
145.10124	6.3
147.08092	1.0
147.11676	4.9
149.09660	2.4
149.13249	2.1
151.11130	4.2
151.14807	1.8
153.12784	0.7
155.08597	0.9
155.10652	1.5
156.09399	0.7
157.10126	4.9
158.10918	0.7
159.11665	5.9
161.09633	2.3
161.13274	2.1
163.11160	3.6
165.12756	1.2
167.08569	0.8
169.10130	1.3
170.10861	0.9
171.08026	0.7
171.11652	3.9
173.09673	1.9
173.13260	5.4
174.10291	0.7
175.11237	3.2
175.14822	11.0
177.12706	6.5
181.12238	1.4
182.10841	0.7
183.11722	1.6
183.74634	0.6
185.09680	0.9
185.13257	3.8
186.10388	1.6
187.11191	3.7
187.14806	4.9
189.12794	3.3
189.16403	0.8
191.14340	5.9
193.12279	2.0
193.15875	11.8
195.13750	1.1
197.13243	4.5
199.11182	0.7
199.14819	3.1
200.11865	1.0
201.12744	0.7
201.16336	1.9
203.14284	7.7
205.12244	4.5
205.15851	1.9
207.13745	1.2
209.13300	1.5
209.15239	0.9
210.04306	6.7
211.13115	0.8
211.14903	1.6
213.12788	2.2
213.16386	2.6
215.14313	22.7
215.17859	8.9
216.14708	1.5
217.15880	2.2
219.13774	0.8
220.14595	2.6
221.15239	4.3
223.14879	0.9
224.05841	2.7
225.16400	0.8
227.14391	1.3
227.18008	0.9
229.15892	2.4
231.17416	1.1
233.15367	11.2
234.06744	0.8
237.16325	0.8
239.17970	2.6
241.15846	1.4
241.19508	1.7
245.15128	0.7
245.18861	1.0
255.17502	1.0
255.21146	2.8
257.18964	5.6
262.06256	1.3
265.19583	3.5
271.20471	1.2
273.22003	1.3
275.20074	0.8
277.08679	1.1
283.20529	15.4
284.20923	1.8
289.21643	3.2
290.05673	2.7
301.21616	20.5
302.21869	1.9
305.08218	3.2
307.06293	0.7
307.22678	3.1
319.22659	22.8
320.23050	1.6
337.06192	52.0
337.10638	3.8
337.23688	54.1
338.06482	5.5
338.10782	1.0
338.24072	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01860	1.2
55.05505	35.3
56.05853	5.5
57.03435	30.4
57.03721	0.7
57.07066	4.8
58.03769	4.9
59.03847	1.7
65.03927	3.9
66.04720	0.9
67.05499	93.8
68.05507	1.7
68.05836	20.6
69.06171	2.6
69.07063	37.5
70.07403	4.1
70.80836	0.9
71.04966	2.6
71.08627	2.3
71.21548	1.4
72.72420	1.0
77.03931	1.0
78.64140	0.9
79.05486	36.7
79.88675	0.9
80.05832	10.4
81.07049	91.0
82.07384	20.0
82.07851	0.8
83.04990	3.0
83.07713	2.9
83.08607	18.8
84.08929	1.8
85.06544	2.5
91.05473	18.8
92.05785	6.3
93.06161	1.9
93.06396	1.3
93.07035	31.7
94.07370	15.2
95.04948	2.6
95.07662	2.6
95.08598	66.6
96.05279	1.1
96.08924	18.0
97.06527	4.4
97.09278	3.1
97.10152	8.8
105.07024	11.1
106.04854	1.0
106.07303	4.7
107.08595	16.7
108.08938	7.5
109.06490	1.6
109.09379	1.2
109.10137	23.4
110.10468	7.8
111.08067	2.2
111.10810	2.6
111.11693	1.9
117.06992	1.6
118.07368	1.3
119.07790	1.5
119.08543	6.6
120.08887	3.2
121.09258	1.5
121.10136	13.2
122.10459	7.8
123.08022	1.0
123.10797	2.6
123.11691	9.4
124.12010	2.7
125.09621	1.2
130.69270	1.0
131.08537	4.5
132.08879	3.2
133.09311	1.1
133.10126	8.8
133.40642	0.9
134.10428	2.6
135.10791	1.8
135.11693	7.0
136.12027	3.9
137.12340	2.1
137.13263	3.8
138.13588	1.4
145.10146	1.5
146.10368	2.5
147.10678	1.1
147.11691	4.8
149.13263	3.5
150.13579	1.6
151.11124	1.1
151.14798	1.4
159.11662	1.2
160.11971	2.2
161.13269	3.9
162.13597	2.0
163.14935	1.5
173.13242	1.2
175.14938	1.6
176.15157	1.0
204.85555	1.0
215.02509	1.0
245.21983	1.5
262.22504	1.4
263.23172	4.4
319.25540	1.2
337.26907	100.0
338.27594	5.5
350.42163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03944	1.5
55.05508	38.8
57.03434	21.2
57.04239	0.6
57.07078	6.2
65.03926	3.0
67.05500	80.1
68.05828	0.9
69.03407	1.5
69.07063	40.9
70.07407	0.9
71.04969	2.2
71.08619	2.5
79.05040	1.3
79.05486	18.8
81.07050	79.9
82.07388	1.7
83.04967	1.9
83.08613	21.2
85.06519	2.4
85.10181	1.0
87.22502	0.7
91.05470	14.5
93.07040	21.7
95.04953	2.1
95.08600	62.7
96.08948	1.5
97.06516	4.5
97.10161	11.9
98.23467	1.2
99.08102	1.4
104.42110	0.7
105.07027	8.1
107.08582	11.3
109.06525	1.4
109.10143	26.5
111.08070	2.8
111.11701	3.0
111.12395	0.7
119.08566	7.5
121.10136	9.2
123.08071	1.5
123.11696	9.8
125.09667	1.0
125.13174	0.6
129.05536	0.7
133.10123	8.3
135.11697	6.6
137.09616	1.4
137.13266	4.2
139.11191	0.8
147.11664	5.5
149.13249	4.2
151.11195	1.2
151.14783	1.4
153.12663	0.8
161.13240	4.2
163.14833	3.1
165.12769	0.9
175.14853	2.7
177.16437	1.2
179.14288	0.8
189.16444	1.3
199.04539	0.6
203.17847	0.9
204.36095	0.7
207.17493	0.9
245.22636	4.7
250.78232	0.7
263.23633	6.3
313.45148	0.7
319.25888	0.9
320.97226	0.6
337.27335	100.0
338.27719	7.1
338.34030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	1.5
55.05508	46.3
56.05845	0.7
57.03434	30.9
57.07072	7.1
64.51086	0.6
65.03931	4.0
67.05501	99.3
68.05830	1.8
69.07064	62.1
70.07374	0.6
71.04993	2.3
71.08631	2.5
71.21169	0.8
77.03873	0.8
79.05489	25.0
81.07053	89.2
82.07388	1.7
83.04966	3.0
83.08615	26.5
83.41613	0.5
85.06537	2.7
85.10176	1.6
91.05479	14.5
91.35974	0.6
93.07039	24.2
95.04969	2.8
95.08601	66.1
96.08941	1.6
97.06522	5.1
97.10166	13.8
99.08111	2.7
101.06012	0.6
105.04528	0.7
105.07021	10.3
107.08588	12.6
109.06548	1.6
109.10148	26.4
110.10487	0.6
111.08080	3.2
111.11707	3.3
113.05936	0.6
113.09647	1.1
119.08563	9.7
121.10133	10.8
123.08072	1.5
123.11696	11.9
125.09634	2.4
126.77898	0.6
129.38922	0.6
131.08621	0.5
133.10133	9.4
135.11691	5.4
137.09616	1.3
137.13263	4.2
139.11208	0.7
147.11668	5.6
149.13214	3.7
151.11230	1.2
151.14850	1.6
153.12756	1.2
161.13243	5.2
163.14841	2.9
165.12724	0.8
175.14857	3.1
176.17578	0.5
177.16452	0.9
189.16299	1.1
211.73793	0.5
219.38306	0.5
245.22701	1.9
263.23676	3.5
337.27344	100.0
338.27679	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	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01860	2.0
55.05508	38.9
57.03180	1.8
57.03434	25.3
57.07079	6.5
57.07345	1.3
59.06539	1.1
61.08344	1.1
65.03925	2.8
67.05502	84.8
68.03724	1.2
68.05841	2.5
69.07065	48.5
69.66722	3.5
71.04973	2.7
71.08603	1.4
77.03933	1.1
79.05494	27.6
81.07053	83.3
82.07399	2.3
83.04977	1.7
83.08617	25.4
85.06549	1.8
91.05479	15.4
91.05997	1.9
93.07040	23.4
94.07385	1.6
95.04967	2.6
95.08602	58.0
96.08926	2.6
97.06535	5.4
97.10168	12.2
98.23411	1.2
99.08128	1.3
105.07015	10.7
107.08590	11.7
109.10150	26.0
110.10458	1.7
111.08076	3.7
111.11704	2.0
119.08589	7.9
121.10140	9.5
123.08070	1.8
123.11702	9.5
125.09653	2.1
133.10100	7.8
135.11684	6.1
137.13278	4.5
147.11702	3.7
149.13255	4.2
151.11174	1.5
151.14821	1.5
153.12717	2.3
161.13249	4.2
163.14835	2.3
172.57057	1.1
174.66466	1.2
175.14816	3.2
245.22588	1.5
263.23682	3.6
337.27325	100.0
338.27853	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	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.27687	0.7
55.01863	1.2
55.05511	37.1
57.03437	23.3
57.07073	6.6
65.03928	2.7
67.05505	78.2
68.05822	1.0
69.07068	47.6
70.93371	0.8
71.04977	2.2
71.08636	2.4
73.06573	0.7
76.55247	0.7
79.05491	22.8
80.05809	0.9
81.07056	73.3
82.07391	1.2
83.04971	2.5
83.08620	22.6
85.06540	2.6
91.05479	13.6
93.07044	21.6
95.04967	2.8
95.08605	56.2
96.08952	1.1
97.06538	4.5
97.10175	11.3
99.08111	1.6
105.07026	9.5
107.08591	11.2
109.06509	1.4
109.10157	21.3
109.89137	0.6
110.10507	0.8
111.08091	3.2
111.11723	3.4
113.09631	1.3
115.48886	0.7
117.06934	0.8
119.08572	5.8
121.10133	8.5
123.08056	1.1
123.11703	10.0
125.09615	1.6
131.08556	0.9
133.10150	8.0
135.11671	5.1
137.09610	0.7
137.13239	4.2
139.11171	1.4
147.11670	5.4
149.13271	2.7
151.11174	0.9
151.14799	2.0
153.12672	0.7
161.13240	4.6
163.14835	3.3
165.12793	1.0
175.14832	3.2
177.16425	1.0
189.16328	0.8
232.04468	0.8
245.22708	1.9
261.22131	0.8
263.23703	4.5
269.63321	0.7
314.95099	0.7
337.27350	100.0
338.27649	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03942	2.4
55.01865	1.7
55.05507	39.2
55.59442	0.7
56.27915	0.7
57.03431	20.5
57.07071	5.4
57.28298	0.9
62.78435	0.7
65.03928	4.0
65.09996	0.7
67.05498	90.2
68.05827	1.5
69.07062	42.3
69.21065	4.3
71.04978	2.4
71.08624	1.8
79.05485	28.9
81.07049	93.4
82.07387	1.2
83.04959	2.6
83.08614	20.3
85.06523	2.2
91.04935	1.6
91.05471	15.5
93.06443	1.6
93.07036	26.2
94.07359	0.8
95.04955	2.7
95.08595	66.9
96.08916	1.0
97.06543	4.3
97.10149	10.9
99.08070	2.4
105.07011	10.2
107.08588	15.8
109.06538	1.3
109.10143	24.1
110.04369	0.8
111.08096	2.3
111.11712	2.0
119.08562	8.9
121.10139	11.3
123.08061	1.2
123.11695	10.3
125.09649	1.8
129.05431	1.0
131.08502	2.0
133.10121	7.5
135.11682	6.2
135.35646	0.8
137.13225	3.4
147.11664	5.3
149.13246	3.6
151.11159	1.1
161.13298	3.1
163.14851	3.4
165.16391	1.1
175.14854	3.3
175.70644	0.8
177.16409	1.9
245.22734	3.0
263.23608	3.8
319.26257	2.9
337.27316	100.0
338.27768	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	338.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01885	2.1
55.05507	3.1
55.09560	1.0
55.89915	1.0
57.03437	5.3
61.02924	4.1
67.05503	19.9
69.03421	17.6
69.07056	1.5
71.04993	1.6
73.02910	2.0
75.36063	1.1
78.04697	1.5
79.05489	1.9
81.03415	5.6
81.07053	26.6
81.07508	2.2
85.02900	55.8
89.03913	7.5
91.03960	3.2
97.02886	31.6
99.04467	2.6
101.02367	1.2
109.02858	5.5
117.03371	17.8
123.11693	16.6
127.03909	10.8
131.80199	1.1
133.50452	1.0
134.03725	1.3
135.04405	1.8
145.02841	49.9
145.04912	18.2
149.05936	6.1
163.06026	3.2
168.13828	1.6
177.05455	100.0
195.06500	3.5
321.09692	3.4
339.10590	8.4
363.95767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2666
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
66.38754	0.9
68.30647	0.9
69.05872	6.2
69.07072	0.9
80.94809	1.2
82.35131	0.8
85.06998	0.8
90.96335	1.1
93.07068	1.0
98.97569	3.5
108.04473	1.3
116.98608	3.3
154.05017	1.0
189.29674	0.9
194.70917	0.9
198.98912	1.9
205.30806	0.8
235.74780	1.0
274.97510	3.2
283.16940	2.0
292.98471	3.5
338.26608	100.0
338.96396	1.0
339.26834	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	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.9
55.71005	7.0
57.07062	6.1
58.02948	9.0
62.62540	6.2
65.56077	5.8
67.05492	22.4
69.07058	24.0
71.08620	58.2
79.05494	17.4
81.07042	24.0
91.05465	10.8
93.07047	28.6
95.04958	8.9
95.08605	36.0
98.97569	26.4
99.08076	18.6
100.07627	7.4
105.07014	15.9
107.08597	22.8
109.06498	23.7
109.10184	9.7
111.57066	5.9
114.09156	8.8
115.32772	6.6
116.98614	16.2
117.07012	6.9
119.08549	15.4
121.06503	14.9
131.08521	17.1
133.10104	12.0
145.10081	8.1
149.13231	13.7
163.11235	8.3
163.14777	8.0
165.12737	92.5
168.13834	12.1
173.13272	13.4
175.11285	6.8
177.12714	8.8
191.14279	17.2
198.14883	16.6
206.15445	10.0
222.18469	30.6
261.22043	13.8
271.20410	13.4
274.97470	38.2
289.21613	67.1
292.98480	21.1
302.24683	19.7
320.25827	100.0
321.26169	7.2
338.13412	7.2
338.26996	20.6
339.18915	13.1
347.94473	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	338.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35786	0.2
53.03957	0.5
55.01876	0.3
55.05506	6.4
57.03434	0.8
57.07077	1.9
59.32802	0.3
60.04520	0.5
62.06084	100.0
63.06418	0.7
65.03946	0.3
67.05498	11.9
68.05824	0.3
69.06708	0.5
69.07064	8.2
70.02950	0.8
71.05007	0.4
71.08633	0.8
77.70135	0.2
79.05489	4.1
81.07051	18.1
83.05012	0.3
83.08613	4.3
85.06529	0.3
85.10163	0.5
87.39574	0.3
91.05473	1.9
93.07035	3.5
95.04970	0.3
95.08601	13.4
96.08944	0.4
97.06539	1.1
97.10178	2.2
98.06039	0.7
99.08077	0.4
105.07016	2.1
107.08585	2.2
109.10150	5.8
111.08042	0.3
111.11764	0.4
119.08585	1.6
121.10159	2.5
123.11678	1.7
130.15334	0.2
133.10127	1.6
135.11682	1.3
137.13254	1.1
147.11697	1.9
149.13214	0.5
151.14790	0.6
158.11748	0.3
161.13243	0.8
172.13347	0.5
175.14746	0.4
177.16493	0.3
182.12509	0.3
189.16403	0.4
192.31058	0.3
193.19586	0.3
200.16536	0.3
214.18137	0.4
226.18086	0.6
229.05273	0.3
240.19614	0.7
242.21182	0.5
259.24167	1.3
268.22626	0.4
277.25287	1.8
282.24359	0.3
283.16895	2.2
290.63055	0.3
320.29492	3.3
321.27866	3.4
338.30521	16.0
339.30701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3417
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
53.03934	0.6
55.05262	0.5
55.05512	7.5
56.05040	2.1
56.05838	1.1
57.03436	2.6
57.07074	4.1
58.03753	0.4
60.04515	1.0
62.06082	1.1
65.03931	0.4
67.04250	0.3
67.05503	9.7
68.05010	0.5
68.05837	2.6
69.07066	9.3
69.22301	0.7
69.22714	1.3
69.81989	0.2
70.06599	2.5
70.07399	0.8
71.04971	0.4
71.08620	2.0
71.36123	0.3
72.04509	1.0
72.08150	0.8
73.24491	0.3
74.06074	6.1
79.05496	3.8
80.05019	0.6
80.05819	0.6
81.05788	0.9
81.07056	12.3
82.06595	2.8
82.07372	2.8
83.08613	4.3
83.78477	0.3
84.08092	0.3
84.08936	0.6
85.10184	0.7
85.76877	0.3
86.09711	0.4
88.07632	1.4
91.05473	1.3
92.05818	0.7
93.07044	1.8
93.53603	0.3
94.06568	1.2
94.07352	0.7
95.08604	8.0
96.08125	5.2
96.08916	1.8
97.10167	1.9
98.10510	0.4
100.07612	3.9
105.07013	0.4
107.08567	0.8
108.08891	0.5
109.10146	2.6
110.09715	0.5
110.10476	1.0
111.11661	0.3
112.07576	0.3
114.09164	14.6
116.67547	0.3
119.08579	0.6
119.80905	0.3
120.08955	0.4
121.10108	0.6
122.09680	0.3
122.10487	0.5
123.11698	1.7
124.12033	0.3
127.09962	0.8
128.10710	1.0
133.10127	0.6
134.10461	0.5
135.11700	0.6
137.13269	0.4
148.11989	0.5
156.13811	0.8
212.68253	0.3
264.24002	0.3
338.28204	9.3
338.34140	100.0
339.19031	1.1
339.28253	0.5
339.34457	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	339.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	27.6
57.03440	2.8
64.43541	1.9
69.03429	8.8
70.52615	1.9
70.71957	4.1
79.05450	3.2
81.03416	4.8
85.02896	3.0
89.03915	9.1
91.05487	5.4
96.12061	1.9
97.02893	23.9
103.05453	7.8
105.07037	5.5
110.97547	16.4
117.03365	29.8
119.04939	6.9
122.03674	2.3
124.58418	1.8
128.98601	26.0
131.04916	8.3
133.06462	3.1
135.04492	2.1
137.05969	47.6
143.75504	1.8
145.02832	58.4
146.99625	22.4
147.04385	9.7
149.05974	7.3
151.03911	14.7
155.04991	3.4
156.00887	2.1
161.06017	4.0
163.03914	3.1
163.07542	3.3
164.99155	2.0
165.00684	3.9
172.97594	6.9
174.01970	4.2
175.03932	2.4
177.05457	100.0
186.05434	1.9
189.05490	11.8
190.98637	5.5
195.06694	3.6
200.04607	2.8
207.06602	6.7
215.07033	6.8
218.07301	2.7
241.07391	14.7
257.06113	2.1
259.08621	11.8
261.09146	4.5
275.06943	2.6
289.08777	3.1
306.09085	2.8
307.09274	3.3
311.12573	2.7
321.10834	9.3
339.07932	4.5
339.11865	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	339.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	44.4
85.02892	18.0
97.02896	26.1
98.22721	40.8
98.97565	82.4
110.97588	32.4
116.98673	32.6
117.03395	20.6
121.06473	18.9
128.98592	31.0
130.33092	16.6
135.04395	16.9
136.06178	42.3
143.15811	15.3
145.02840	49.1
147.04471	18.2
149.05945	20.5
177.05467	100.0
181.01677	27.7
186.51462	14.5
213.04289	18.1
219.01756	26.1
237.02650	35.4
252.83549	17.5
270.75574	16.1
274.97324	23.7
339.08011	59.9
340.13599	96.8
357.08487	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87618	1.0
53.03953	1.6
54.89656	1.3
56.96564	19.1
57.03446	1.2
69.03427	10.9
69.07053	1.3
70.50648	2.6
71.01330	1.3
79.05493	1.9
81.03419	6.1
82.89611	1.2
85.02904	5.3
89.03929	7.9
91.05486	4.0
97.02890	18.5
99.04477	1.3
100.07637	1.4
103.05457	2.2
105.07019	1.5
109.02886	1.8
110.97565	8.8
117.03378	22.3
119.04903	1.7
127.03893	1.5
128.98611	15.7
131.04904	1.8
134.03651	2.0
135.04417	1.5
137.05957	9.7
145.02847	56.4
145.10080	1.6
146.99655	15.0
147.04379	3.1
149.05968	8.9
151.03903	3.1
156.00926	1.3
161.09993	1.3
163.03864	1.4
163.07481	1.2
165.00719	2.0
172.97595	4.5
174.02022	2.4
175.03960	1.4
177.05467	100.0
178.05791	2.6
179.97969	1.2
189.05461	3.2
190.27098	1.1
190.98613	6.5
195.06587	3.3
207.06441	3.4
215.06805	1.8
223.06293	1.4
241.07471	10.8
259.08496	10.2
265.08575	1.6
289.86475	1.2
311.12714	2.7
321.09665	4.6
339.07776	3.3
339.11569	6.5
339.25995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	1.4
55.01874	1.0
57.03423	1.5
63.02367	0.6
69.03427	9.3
70.54618	0.9
71.01340	1.3
71.04981	0.7
72.08154	3.3
78.40026	0.5
79.05482	0.9
81.03417	4.3
81.07063	0.6
84.86816	0.4
85.02893	4.4
89.03915	8.2
91.05488	1.5
93.07032	0.5
95.04980	0.7
97.02886	19.1
97.08942	0.5
98.44711	0.5
99.04433	1.4
101.02350	1.0
103.05468	1.6
105.04523	0.5
105.07014	1.7
106.04168	0.6
107.04938	0.8
107.08559	0.5
109.02872	1.5
111.09199	0.5
115.05408	0.7
117.03373	24.5
119.04961	1.2
122.03619	1.1
123.04403	0.5
124.05181	0.5
127.03908	2.2
131.04877	1.3
134.03625	2.2
135.04390	1.7
137.05972	8.8
138.06358	0.5
145.02838	54.4
146.03143	1.0
147.04439	2.5
149.05965	8.0
151.03888	1.2
155.04871	0.6
161.05978	3.1
163.03885	1.6
163.07562	0.5
165.05461	2.5
175.03888	0.7
175.07579	0.6
177.05460	100.0
178.05786	3.2
180.29539	0.4
187.07581	0.9
189.05412	1.4
189.06992	1.1
190.07742	1.5
191.08519	1.3
195.06503	7.9
201.07031	0.8
207.02748	0.6
207.06403	1.0
207.08112	1.0
208.08752	0.8
211.22473	0.5
215.06963	2.2
218.07201	2.5
219.08022	3.8
221.05972	1.0
229.06390	0.6
231.08000	0.5
233.09680	0.5
234.06660	0.6
235.07436	2.2
236.08267	0.8
246.06738	2.1
247.07487	3.1
249.09178	1.0
250.10062	0.5
251.10732	1.3
257.05969	0.9
261.09052	3.4
263.07184	2.2
264.07825	1.4
272.96155	0.5
274.06259	2.2
275.07019	1.7
277.08649	0.9
278.09534	1.0
279.10364	2.2
288.07745	0.5
289.08542	5.3
290.09152	1.5
291.06445	0.7
295.09662	0.6
306.08765	0.8
307.09656	6.2
311.12576	0.7
321.10416	4.4
339.11087	8.7
339.17422	1.2
340.11673	0.9
340.18585	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	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97337	0.3
53.03946	1.3
54.71556	0.4
55.05516	0.5
57.03440	2.4
63.02386	0.6
67.05483	0.6
69.03425	10.8
69.07054	0.6
70.34496	0.4
70.34835	0.6
71.01353	1.0
71.05000	1.1
71.20693	0.4
73.02886	0.4
78.04684	0.5
79.05500	0.6
81.03417	4.5
81.07052	0.9
85.02906	5.3
87.31875	0.4
89.03907	8.0
91.05483	1.3
93.07074	0.5
94.19818	0.3
95.04984	0.6
95.08623	0.9
97.02885	18.3
97.87888	0.3
99.04457	1.1
99.08111	0.4
101.02377	1.4
103.05464	0.5
105.04484	0.3
105.07053	0.7
106.04186	0.8
107.08551	0.5
108.39277	0.3
109.02866	1.5
114.97177	0.4
117.03374	25.1
118.03664	0.4
119.04948	0.8
119.08608	0.5
127.03902	1.8
134.03584	2.0
135.04413	2.0
135.08078	0.7
135.11682	0.5
137.05952	0.9
145.02838	59.0
145.38655	0.3
146.03172	1.5
147.04369	2.3
149.05965	8.9
149.09663	0.4
163.03903	1.6
177.05457	100.0
178.05811	3.4
185.41870	0.4
186.05498	0.5
189.12714	0.7
195.06514	4.7
207.04431	0.4
233.15341	0.8
238.11000	0.5
251.11697	0.8
279.08640	0.7
301.09500	0.4
303.23093	0.4
307.09070	0.5
311.13675	1.1
321.09601	4.6
321.24133	0.6
339.10623	9.7
339.17123	0.8
340.11166	0.5
340.18643	0.7
340.22449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03931	1.0
55.01872	0.6
57.03434	1.9
58.99564	0.7
59.28896	0.2
63.02348	0.5
66.81923	0.3
69.03425	10.6
69.09110	0.7
69.09528	1.2
71.01352	1.6
71.04965	0.8
73.02916	0.4
78.04668	0.6
78.13070	0.2
81.03412	4.1
85.02901	5.2
89.03382	0.5
89.03914	9.8
91.05475	0.9
95.04950	0.5
97.02889	21.4
98.97617	0.2
99.04430	1.2
101.02355	1.2
103.05450	0.8
106.04165	0.6
109.02888	1.3
112.57874	0.3
116.01668	0.4
117.03374	30.8
118.03703	1.0
119.04948	0.6
121.06500	0.4
127.03893	1.6
131.04883	0.4
134.03632	2.7
135.04448	2.0
137.05984	0.6
140.61668	0.3
145.02837	67.3
146.03188	2.1
146.38431	0.3
146.99591	0.4
147.04370	0.6
149.05969	10.5
150.06229	0.3
162.03215	0.5
163.03897	1.7
177.05458	100.0
178.05811	3.5
186.05481	0.4
195.06508	4.3
199.97484	0.3
207.06641	0.3
223.05980	0.5
227.41521	0.3
279.08670	0.9
321.09637	4.2
339.06772	0.5
339.10760	8.8
339.16885	1.4
340.11090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23773	0.3
53.03942	0.8
57.03427	1.5
62.22068	0.3
62.93832	0.3
63.02360	0.3
69.03423	9.7
71.01344	1.1
71.04994	0.7
78.04716	0.5
81.03413	3.9
85.02898	5.3
89.03907	8.7
91.05481	0.9
97.02885	20.1
99.04456	1.3
101.02359	1.2
103.05481	0.4
106.04193	0.6
109.02876	1.1
110.83262	0.3
117.03368	27.9
117.65092	0.3
118.03659	0.3
121.06512	0.5
127.03905	1.7
134.03629	2.2
135.04405	1.5
145.02834	65.6
146.03169	1.9
149.05968	9.3
162.03098	0.6
163.03905	1.5
171.95122	0.3
177.05449	100.0
178.05807	3.6
186.05505	0.9
195.06516	4.0
203.07082	0.4
221.30280	0.3
240.70833	0.3
247.07240	0.3
270.09827	0.3
279.08551	0.5
321.09692	3.2
339.06674	0.6
339.10699	8.5
340.11017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	0.9
57.03431	1.8
69.03431	9.5
69.27444	0.3
69.37075	0.8
69.37479	1.3
71.01347	1.1
71.04986	0.8
78.04696	0.5
81.03412	4.0
85.02905	5.7
86.10156	0.4
87.30515	0.4
89.03912	7.6
91.05480	0.5
97.02888	22.4
98.22682	0.7
99.04457	1.1
101.02374	1.2
103.05443	0.4
109.02885	1.0
110.07153	0.5
117.03371	22.5
118.03743	0.8
119.04923	0.4
123.74837	0.4
127.03938	2.2
134.03606	1.5
135.04416	1.2
140.61943	0.4
145.02837	55.2
146.03156	1.9
147.04387	1.1
149.05977	7.5
150.78683	0.4
162.03049	0.5
163.03908	1.4
177.05455	100.0
177.89955	0.5
178.05762	3.4
186.05490	0.5
195.06529	3.9
210.10196	0.8
226.08653	0.4
233.06903	0.4
239.03831	0.4
274.97592	0.7
276.11310	0.7
279.08609	1.0
321.09671	3.7
322.11765	0.8
339.10620	10.9
339.14462	2.5
340.14124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
53.36140	0.4
57.03431	1.6
60.82197	0.4
67.26179	0.4
69.03423	10.8
71.01347	0.9
71.05012	0.5
81.03409	3.2
81.59770	0.4
85.02898	5.3
89.03909	7.4
91.05493	0.5
97.02885	22.2
98.22694	0.9
98.97554	0.5
99.04435	1.3
100.74192	0.4
101.02395	1.3
103.05437	0.4
105.71079	0.4
106.04171	0.6
108.10885	0.3
109.02867	1.3
110.07170	1.0
117.03366	24.6
118.03714	0.9
119.04929	0.7
120.23513	0.4
127.03919	1.7
134.03632	1.6
135.04422	1.4
145.02834	56.6
146.03181	1.7
147.04387	1.2
149.05974	8.4
163.03922	1.0
177.05450	100.0
178.05785	3.7
186.05452	0.4
195.06491	4.7
210.10226	0.8
276.11237	1.0
279.08600	1.5
292.80753	0.4
321.09644	3.8
322.11908	0.9
339.10727	12.7
339.14474	2.3
340.13962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.4
56.05022	0.6
56.05831	0.9
57.03428	1.1
57.07061	1.7
62.06098	0.4
67.05500	5.5
68.05834	1.1
69.07061	4.6
69.41447	1.0
69.41861	1.3
70.06578	1.4
71.08620	0.6
74.06071	1.9
79.05482	1.8
79.05904	0.5
81.07056	4.3
82.06580	0.8
82.07365	1.7
83.08601	1.9
84.76498	0.5
87.88801	0.5
88.07622	0.6
91.05490	0.7
93.07024	1.0
94.07399	0.6
95.08598	3.1
96.08156	1.0
96.08933	1.2
97.10159	1.3
98.22778	0.8
98.97590	0.7
100.07589	1.2
105.06995	0.7
107.08587	0.6
109.10167	0.7
110.10504	0.6
114.09157	3.8
119.08484	0.4
121.10133	0.9
123.11689	0.5
127.09875	0.5
128.10690	0.5
183.63591	0.4
205.37520	0.5
241.61794	0.5
274.97736	0.7
283.16690	0.8
318.01501	0.5
338.34143	16.2
339.19052	100.0
339.34457	15.5
340.19354	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	339.1908
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05519	0.6
62.98254	10.5
63.31422	0.4
67.05495	0.6
68.62808	0.5
69.35534	1.9
77.79118	0.5
79.05468	1.0
81.07047	1.4
83.04964	0.5
89.17237	0.5
93.07025	0.7
95.08606	0.8
97.95074	0.4
98.23575	0.7
98.97588	0.6
103.98496	1.3
105.07010	0.8
107.08594	0.6
115.04736	0.4
116.99268	0.7
128.07672	0.5
131.00740	0.6
145.02347	1.1
147.36504	0.6
187.83577	0.4
193.04829	0.9
241.11765	1.0
251.47536	0.5
254.74591	0.6
269.11237	5.3
274.97672	0.7
289.17929	0.5
317.19543	2.6
321.18002	9.8
335.20786	2.5
338.55536	0.6
339.19061	100.0
340.19391	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	339.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.07063	0.6
58.59599	0.4
62.98256	8.0
67.05502	5.0
69.07056	0.7
69.74474	1.0
75.87477	0.4
77.00899	0.7
79.05483	2.7
81.07053	4.1
91.05475	2.5
93.07054	3.3
95.04997	0.6
95.08591	4.3
98.22691	0.5
98.97591	2.3
100.07613	0.7
105.07036	1.4
107.08598	2.5
109.10152	1.8
114.51682	0.5
116.98630	2.4
117.07027	0.8
119.08564	1.4
121.10145	2.1
123.11698	1.3
131.08524	0.8
133.10127	1.0
134.99614	0.9
135.11703	2.2
145.10088	1.4
147.11635	0.7
149.13292	1.3
158.74643	0.4
159.11732	0.7
161.44453	0.4
161.58794	0.4
169.75465	0.5
170.43221	0.4
173.13310	0.9
193.05057	0.6
217.08138	1.3
224.19969	0.6
229.19560	0.9
247.20551	3.4
265.75964	0.5
274.97519	2.0
284.16257	0.4
292.98431	0.8
294.18643	1.1
299.18546	1.3
315.18130	1.0
317.19565	3.4
321.17953	11.4
322.18347	0.7
335.20749	1.4
339.19043	100.0
340.19183	7.2
340.29675	1.0
357.19727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.0
56.17498	2.8
56.96557	2.8
57.03428	2.9
57.07060	4.6
58.96737	2.8
65.03947	3.2
65.39701	2.9
67.05494	13.3
69.03419	7.0
69.07066	9.8
69.60621	11.9
79.05491	31.5
81.07053	100.0
81.59695	2.9
83.08603	6.3
85.06549	9.3
91.05501	9.7
93.07042	16.8
95.04947	4.0
95.08604	18.0
97.02868	4.5
97.06531	8.7
97.65057	2.5
98.97590	12.4
99.08103	11.7
100.07600	3.1
105.07016	18.9
107.08575	20.5
109.06522	5.9
109.10178	15.1
111.08082	3.9
111.50660	3.2
112.24361	3.0
116.98630	8.9
117.03348	3.7
117.07011	3.3
119.08582	34.5
121.10154	24.8
123.11691	12.4
125.09617	3.0
129.06972	4.9
131.08574	15.5
133.10103	17.0
135.08052	25.1
135.11682	8.4
142.07722	5.2
143.08568	10.5
145.02818	8.3
145.10109	32.0
147.08011	6.0
147.11711	11.4
149.09592	5.8
149.13287	4.5
151.07582	5.8
156.09331	4.6
157.10139	12.7
159.11723	19.2
161.09621	17.2
161.13205	20.2
163.11252	5.2
163.14777	6.4
169.10185	4.0
170.10872	4.3
171.11700	13.9
173.09663	8.5
173.13263	9.7
175.11220	6.6
175.14853	10.8
177.05486	13.7
177.12749	4.1
177.16386	5.5
180.42416	3.4
183.11710	8.3
185.13223	14.4
187.14801	29.3
189.12813	7.7
189.16397	5.2
191.64529	3.4
193.15907	3.7
197.13284	7.6
199.14803	18.5
201.16443	9.0
203.14302	21.4
204.14983	7.3
205.15875	83.7
207.07428	3.5
211.14850	7.0
213.16362	8.2
215.14388	5.5
215.17851	4.2
217.15898	10.3
225.16284	4.1
227.17953	8.6
229.15881	4.0
231.17467	6.6
243.17583	5.1
245.18936	3.3
252.86069	3.2
257.22675	4.9
259.20493	4.5
271.65378	3.0
273.22101	5.3
274.97400	14.4
285.22052	25.6
292.98593	9.7
303.23141	24.7
321.24170	11.9
339.10440	3.5
339.17065	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	339.2529
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
50.89096	2.8
55.05501	8.5
56.38432	3.3
57.07074	3.7
66.27470	3.0
66.49895	3.0
67.05492	9.2
69.03413	4.7
69.07048	12.7
69.79842	7.1
79.05497	13.9
81.07049	37.1
83.08592	7.1
85.02925	3.4
85.06543	12.3
87.02661	3.9
91.05487	12.5
93.07043	14.5
95.04970	5.2
95.08602	28.2
97.02888	6.2
97.06522	14.7
98.97587	14.8
99.08096	13.1
100.07613	10.3
105.07030	21.7
107.08611	19.2
108.08118	9.2
109.06506	7.2
109.10150	26.2
116.98618	11.9
117.03364	8.6
117.07044	4.2
119.08569	45.9
121.10157	23.0
123.08067	4.7
123.11687	4.4
125.09631	6.5
129.07028	3.7
131.08553	11.6
133.10117	25.8
135.08052	5.3
135.11667	10.3
137.09613	5.6
137.13298	3.6
139.11198	6.0
143.08559	6.1
145.02846	18.6
145.10127	24.4
147.11664	22.8
149.05997	4.1
151.11220	7.7
154.05458	3.6
156.09348	4.9
157.10139	13.5
158.10872	3.7
159.11684	100.0
161.09615	10.0
161.13283	18.4
163.11177	7.8
163.14792	12.5
165.12764	9.2
169.10149	8.1
171.11710	13.5
173.09657	3.7
173.13275	21.8
175.11162	10.6
175.14827	8.7
177.05482	26.9
177.12738	8.2
183.11731	18.8
185.13200	9.4
187.14771	25.5
189.12778	13.0
191.14285	4.8
193.15747	5.5
197.13202	4.5
199.14845	12.3
201.12698	5.1
201.16389	8.8
203.14261	20.2
205.15903	22.3
209.57178	3.4
211.14900	3.7
215.14326	7.5
217.15932	19.9
224.20132	5.5
225.16356	5.2
229.15797	5.6
241.19447	12.9
243.17438	72.3
243.21169	8.8
256.96347	5.4
259.20566	12.9
267.21091	8.5
269.09567	7.8
273.22202	10.8
274.97458	21.3
277.21823	4.0
279.17615	6.3
283.43762	3.8
285.22116	41.9
286.22586	4.6
289.68729	3.7
291.23096	7.4
292.98593	14.2
297.18402	8.8
303.23141	39.8
321.18686	4.0
321.24249	25.2
339.17194	28.8
340.29663	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	339.2529
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
55.05509	10.1
57.03431	16.2
57.07068	3.0
58.45245	1.2
59.04993	1.3
67.05508	12.3
69.07066	16.5
69.40058	5.2
71.04982	3.0
71.08619	5.8
79.05485	13.2
81.07050	45.2
82.07391	2.1
83.04972	2.7
83.08601	5.6
85.06535	19.5
90.69463	1.3
91.05475	4.7
93.07047	12.5
95.04961	4.4
95.08604	17.4
97.06520	4.9
97.10139	2.4
99.08105	10.0
105.07021	8.0
107.08593	12.5
109.06507	5.0
109.10152	13.8
111.04475	2.0
111.08089	4.2
117.07008	3.2
119.08566	13.1
121.06485	1.6
121.10140	9.8
123.08062	17.5
123.11674	4.7
125.06000	2.7
125.09602	1.8
131.08542	4.4
133.10117	9.1
135.08093	7.1
135.11679	3.2
137.09587	2.8
137.13268	2.5
139.11128	2.0
143.08546	1.3
145.10059	4.4
147.11737	7.1
149.09636	15.6
149.13266	2.8
151.11331	1.6
153.12738	5.0
157.10094	2.9
159.11697	6.9
161.13268	7.1
163.11057	2.3
163.14815	2.0
165.12744	19.7
167.14282	2.1
169.09906	1.6
171.11676	3.3
173.13271	5.2
175.11115	3.2
175.14856	2.2
177.12738	5.4
179.14320	17.2
185.13278	2.3
187.14851	2.2
187.50630	1.3
189.16394	2.8
191.14310	5.0
193.12325	1.6
195.13783	2.7
199.14832	1.6
201.16415	2.9
205.15857	22.9
213.16438	1.6
217.15891	2.7
219.17456	3.0
221.15343	13.8
223.16890	18.3
229.19521	2.8
233.18831	2.0
241.19391	1.5
245.19087	7.5
247.20630	2.2
265.17947	10.3
265.25269	5.0
267.20837	1.7
273.22205	2.7
274.97531	3.6
275.23682	5.6
279.17441	4.6
280.23715	1.4
285.22119	5.7
291.23117	4.4
293.24710	3.6
297.18323	2.8
303.23160	38.8
304.23535	1.9
321.24225	100.0
322.24573	7.0
339.19269	2.7
339.25317	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	339.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05505	36.6
56.35592	1.4
57.03427	11.5
57.07074	18.1
60.08162	2.1
65.48854	1.7
67.05501	37.4
68.05805	1.8
69.07063	65.5
69.44148	6.0
71.08620	9.1
77.03889	1.6
77.09083	1.3
79.05486	20.2
81.07049	91.6
82.07391	3.2
83.08617	32.1
85.10163	4.1
86.11691	1.3
86.66742	1.4
91.05470	8.8
93.07040	31.7
94.07432	1.4
95.04959	2.4
95.08596	73.6
96.08926	2.2
97.06506	3.0
97.10162	18.5
98.23474	2.8
99.08080	1.3
100.07623	1.6
105.07024	23.9
107.08582	30.9
109.10143	39.5
111.11724	6.0
115.05411	1.4
117.07029	3.0
119.08575	26.5
120.08887	1.4
121.10133	35.6
123.11697	19.5
125.13281	1.6
131.08566	9.2
133.10120	22.2
134.10481	1.6
135.11687	21.9
137.13245	9.1
138.06775	1.3
139.11107	1.7
143.08540	3.9
145.10097	18.8
147.11667	20.7
149.13242	13.1
157.10129	5.7
158.10825	1.4
159.11690	19.1
160.12390	1.8
161.13257	18.0
163.14799	9.5
170.94479	1.7
171.11707	4.1
172.12527	1.7
173.13260	15.5
175.11079	1.8
175.14790	12.4
177.16386	6.2
185.13297	3.3
187.14830	17.0
189.16393	8.2
191.17976	2.0
199.14836	3.4
201.16356	12.6
203.17943	5.1
205.19617	1.6
213.16379	5.7
215.17888	13.2
217.19568	4.7
227.17950	4.4
229.19531	9.1
231.21059	2.1
241.19525	3.2
243.21014	6.9
245.22652	1.8
247.24258	3.3
255.21043	3.9
256.21866	1.7
257.22650	6.7
263.43808	1.5
265.25116	2.8
269.22629	5.3
283.16937	19.2
283.24155	6.2
284.17191	2.1
297.25699	2.9
339.30466	100.0
340.30679	8.4
340.39279	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01859	8.7
57.03429	4.6
61.02911	9.1
69.03425	43.0
69.42574	11.7
69.42950	5.1
71.04990	4.9
73.02908	8.3
76.38653	2.4
81.03410	22.7
85.02898	100.0
87.00829	52.7
90.81317	2.3
97.02890	37.8
99.04474	11.7
105.01863	74.0
109.02863	23.4
126.05421	2.6
127.03907	77.3
129.01849	4.1
145.04965	35.3
147.02888	2.7
159.02859	12.0
159.83411	2.5
165.79547	2.4
189.04068	2.7
231.04944	20.0
245.94878	2.3
249.05981	6.5
265.82736	2.4
340.15585	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	340.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42636	0.7
60.04502	1.1
67.05486	1.3
68.88025	0.7
69.03419	1.4
69.07065	64.9
69.24329	4.3
69.56065	0.7
70.07388	1.0
77.33122	0.7
86.09703	55.9
87.09991	1.2
94.06543	0.8
97.02884	1.7
97.03999	1.3
97.06528	9.5
100.11230	0.9
106.06548	0.8
108.08055	1.1
115.05431	0.8
116.25146	0.6
117.03336	1.2
117.05766	3.9
118.03713	1.3
118.06564	1.6
122.06005	0.8
125.03489	1.1
128.10716	17.9
129.06987	0.8
130.06520	27.8
136.07564	1.3
138.51323	0.8
141.05751	1.2
142.06519	5.9
144.04413	0.8
144.08092	1.5
145.02864	3.5
146.03156	4.0
153.10214	1.0
155.06012	6.2
156.06827	1.5
156.08070	2.6
156.10173	1.7
157.07603	81.5
158.06021	1.9
158.08086	3.4
159.09120	1.0
167.06006	1.6
167.07281	1.3
168.08072	2.1
169.07591	3.3
169.08855	1.2
177.05438	5.4
178.05800	7.2
180.08090	1.3
181.07491	1.7
182.08406	2.9
183.09123	5.1
183.10539	1.1
184.11220	2.8
185.07094	42.0
186.07410	1.3
194.09596	2.4
195.10286	0.8
196.11386	3.6
197.07101	3.7
197.10825	2.0
198.12775	9.5
199.08548	1.3
207.09230	1.9
208.11201	5.5
210.07870	1.1
211.04938	1.4
211.08548	1.2
211.12283	9.9
211.33760	0.7
213.06584	4.0
221.10759	1.5
224.09413	1.4
225.06789	1.6
225.10216	23.8
225.13875	3.2
226.10492	0.8
227.08168	0.9
227.15405	0.8
235.12218	2.2
236.10678	0.9
237.13852	1.6
238.11040	1.7
239.11780	71.6
240.12059	3.1
241.08493	1.7
242.09155	1.1
244.99321	0.9
253.13354	13.2
270.15869	1.9
281.12827	100.0
282.13174	6.6
298.15482	52.7
298.55951	0.7
299.15814	3.1
312.17108	1.0
322.09772	0.8
340.10577	0.8
340.12164	1.1
340.16504	19.5
341.16669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20944	0.6
53.03918	0.7
53.44484	0.6
55.02970	0.9
55.05506	7.2
57.04554	10.4
69.04543	5.5
70.68864	0.9
72.08148	59.4
72.16326	0.6
73.06544	0.9
79.05482	3.1
79.06834	0.6
79.64140	0.6
81.03387	1.4
81.07020	2.3
82.06547	2.5
83.04980	0.8
83.08590	2.7
86.07174	1.3
86.09673	0.8
94.04181	0.7
95.04969	1.4
96.05740	0.7
97.07652	7.4
100.07629	1.1
100.08725	1.3
100.11243	17.3
106.90500	0.7
109.06483	2.9
110.06024	1.2
111.04441	3.1
111.08055	0.8
111.09186	11.6
117.03368	0.6
117.13892	1.1
122.03601	2.1
124.05161	4.9
126.09100	0.9
128.07060	1.4
128.11819	15.0
137.02251	0.8
137.05962	9.3
138.06317	0.7
139.07526	6.7
139.08487	1.2
141.11473	2.2
148.91396	0.6
151.03903	1.1
152.04668	8.6
152.71594	0.6
154.06252	2.1
160.05142	0.9
163.64336	1.4
165.05490	1.2
167.07028	4.6
172.15627	0.8
174.06667	0.8
175.07506	1.6
177.05415	1.1
182.15355	5.4
185.08139	1.2
187.07549	2.1
189.09029	0.9
194.08099	1.6
195.06502	100.0
196.06877	3.3
199.18024	1.0
209.16470	2.6
210.14896	7.0
211.07491	1.9
211.15193	0.8
213.17805	1.6
213.67821	0.7
217.08662	0.9
219.08101	0.6
225.07509	0.8
227.17441	6.3
227.67752	1.0
231.08052	1.8
239.06865	1.3
240.07625	1.1
248.08264	1.7
251.10468	0.9
256.07211	0.8
263.10675	1.9
270.08710	1.2
271.09616	2.9
276.72778	4.3
277.22937	0.9
284.15045	1.0
291.10193	5.3
323.12616	1.6
323.15961	0.9
326.28149	1.0
331.25461	0.8
340.18625	89.8
341.14105	1.2
341.18988	4.1
343.30707	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	340.1911
Annotation	Carduchoron
Peak:m/z	Relative Intensity
50.11328	0.5
56.84570	0.5
57.04536	1.5
65.03969	0.5
66.61087	0.5
68.52049	0.4
68.68214	0.4
69.03382	0.5
69.04542	0.7
69.07059	2.9
69.84311	1.1
69.84708	0.8
70.06566	0.8
71.04948	0.5
72.08156	6.6
79.05482	0.8
81.03407	0.9
81.07054	0.5
86.09717	2.5
91.05478	6.2
93.07011	1.3
95.04969	16.7
97.07651	0.9
98.06036	0.8
98.09675	1.0
98.22719	0.6
100.07595	1.7
103.05448	2.6
105.04482	0.8
106.43071	0.4
107.04962	0.7
109.06509	1.2
110.06025	0.7
111.09181	1.4
117.03416	0.5
118.06533	10.9
119.04942	24.0
120.05255	0.9
121.06490	1.2
123.04430	40.0
128.10732	0.9
128.11810	1.6
130.06502	1.1
131.04932	0.9
132.07246	0.4
132.08064	3.0
133.08910	2.5
133.09906	0.5
137.05956	1.8
140.65553	0.5
145.02856	0.6
146.03096	0.5
146.09625	2.2
147.04410	14.8
152.04715	1.0
155.05971	0.5
157.07645	2.7
164.07100	0.5
165.05481	7.2
171.11633	0.5
176.14340	97.9
177.05457	0.9
177.14665	3.4
178.05844	1.5
185.07011	0.9
194.02859	0.5
195.06528	13.2
207.02876	0.6
209.13286	1.1
224.20096	1.8
225.10243	0.9
227.14212	0.6
237.12581	1.2
237.91405	0.5
239.11775	1.9
247.44121	0.5
255.13742	2.1
281.12869	1.9
298.15518	1.8
309.59351	0.5
340.19031	100.0
340.29776	2.0
341.19440	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	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05495	2.3
57.03427	1.4
59.39171	0.8
64.31482	0.8
65.82220	0.9
67.05503	4.1
69.03432	4.5
69.07072	9.6
69.77180	2.2
69.77566	1.8
71.04985	14.1
76.77405	0.8
79.05479	12.0
81.03419	1.1
81.07056	2.7
83.04972	3.4
85.02908	3.0
85.06541	8.6
86.09698	100.0
87.10011	1.3
89.03918	3.1
90.04246	2.2
91.05468	9.6
93.07040	14.8
95.04971	4.3
95.08624	1.5
97.02890	5.7
97.06512	1.6
98.03222	2.7
99.04453	1.1
99.08089	1.2
105.07016	14.7
107.04969	4.3
107.08590	18.5
109.06509	2.8
109.10046	0.9
111.04431	5.1
117.03371	7.8
117.06986	5.9
118.03702	5.7
119.08561	9.1
121.06513	4.2
121.10116	8.1
123.08028	0.9
128.10722	5.2
129.07002	4.2
130.07819	1.6
131.08559	18.7
132.10191	25.1
135.04408	4.3
135.08076	1.3
135.11732	1.4
137.09622	4.0
139.07626	1.0
145.02843	14.3
145.06465	1.8
145.10132	13.4
146.03160	15.6
147.08051	4.2
147.11653	2.0
149.05963	3.3
149.09605	37.4
150.06331	1.8
153.05560	1.2
156.10297	1.2
163.07574	1.9
163.11174	18.1
165.09114	4.3
167.10663	49.8
168.11041	1.1
173.09608	5.3
177.05466	18.9
178.05792	27.1
179.06000	1.0
191.10651	31.6
192.11015	1.3
196.13341	1.2
206.15404	1.9
208.13231	1.0
209.11693	36.0
210.11995	1.5
210.14865	6.5
238.14270	1.7
252.16087	1.5
256.15506	1.6
258.18515	2.5
261.59637	1.0
276.16788	1.9
276.19583	17.4
281.95297	1.3
294.20590	11.4
303.57639	1.0
304.19064	2.6
322.10153	1.5
322.20099	12.9
340.11151	4.6
340.21152	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	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05513	0.8
57.03432	4.3
67.05499	1.6
69.07063	3.7
69.61967	2.2
69.62382	1.4
71.04996	3.8
79.05486	6.7
81.07020	1.1
83.04973	1.1
85.06525	0.8
86.09699	36.9
91.05444	5.4
91.82604	0.7
93.07045	9.1
95.04948	2.4
95.08604	0.9
100.07590	0.7
105.07027	11.5
107.04915	1.7
107.08587	22.0
109.06453	1.1
117.07013	2.7
119.08576	4.4
120.59394	0.8
121.06506	1.7
121.10138	7.0
123.08134	0.7
131.08553	8.3
132.10202	12.7
135.08014	2.0
135.11676	0.8
142.45779	0.7
145.02853	1.0
145.06374	0.9
145.10103	6.2
147.08023	1.8
147.11732	2.0
149.09610	100.0
150.09987	2.7
163.11169	8.5
167.10674	16.7
173.09613	1.1
177.05414	0.7
178.05804	1.8
191.10646	11.0
206.15390	3.7
209.11717	1.2
220.17003	2.2
252.15962	1.8
266.17505	2.5
276.19550	12.8
277.20175	0.7
294.20694	3.0
304.18893	1.0
322.20129	8.1
340.21594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05513	0.8
57.03432	4.3
67.05499	1.6
69.07063	3.7
69.61967	2.2
69.62382	1.4
71.04996	3.8
79.05486	6.7
81.07020	1.1
83.04973	1.1
85.06525	0.8
86.09699	36.9
91.05444	5.4
91.82604	0.7
93.07045	9.1
95.04948	2.4
95.08604	0.9
100.07590	0.7
105.07027	11.5
107.04915	1.7
107.08587	22.0
109.06453	1.1
117.07013	2.7
119.08576	4.4
120.59394	0.8
121.06506	1.7
121.10138	7.0
123.08134	0.7
131.08553	8.3
132.10202	12.7
135.08014	2.0
135.11676	0.8
142.45779	0.7
145.02853	1.0
145.06374	0.9
145.10103	6.2
147.08023	1.8
147.11732	2.0
149.09610	100.0
150.09987	2.7
163.11169	8.5
167.10674	16.7
173.09613	1.1
177.05414	0.7
178.05804	1.8
191.10646	11.0
206.15390	3.7
209.11717	1.2
220.17003	2.2
252.15962	1.8
266.17505	2.5
276.19550	12.8
277.20175	0.7
294.20694	3.0
304.18893	1.0
322.20129	8.1
340.21594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.6
59.39308	6.8
60.08170	7.3
67.05502	67.1
69.07075	9.4
69.41113	33.1
70.06557	11.8
79.05473	19.7
81.07059	57.7
83.04988	17.3
83.08585	6.9
85.06532	13.0
86.06050	7.8
91.05478	40.5
93.07014	30.6
93.72670	5.9
95.04917	6.7
95.08607	27.2
100.07605	26.5
102.09118	6.4
102.95795	6.2
105.07035	41.6
107.08577	37.8
109.10148	57.6
117.06979	9.7
119.09326	6.2
121.10117	6.2
121.84679	6.5
123.11687	8.9
126.92175	7.5
133.10138	85.9
150.18030	7.5
151.11174	100.0
172.83922	6.3
179.10698	12.8
183.13776	29.5
224.20081	15.0
241.50662	6.4
313.60867	7.0
326.89502	7.6
339.35095	7.0
340.22260	10.6
340.29221	28.2
340.35611	28.0
340.39410	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	340.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
56.05847	1.1
57.03440	3.6
57.06821	0.5
57.07075	7.7
58.06595	1.6
58.07407	0.7
60.08165	19.5
67.05504	3.6
68.05822	1.2
68.78804	0.4
69.06712	0.7
69.07064	8.0
69.40427	2.1
70.07394	1.9
71.08315	0.5
71.08628	4.4
79.05477	1.4
81.07042	4.4
82.07361	1.0
82.27473	0.4
83.08619	4.6
84.08943	2.3
86.09713	0.5
91.05453	0.5
93.07036	2.1
93.53001	0.4
94.07388	0.9
95.08608	3.5
96.08955	1.3
97.06535	0.6
97.10162	3.2
98.10493	0.8
106.75714	0.4
107.08591	1.7
109.10154	1.8
110.10487	0.5
111.11688	1.0
115.79420	0.4
121.10126	1.3
122.10479	1.7
123.11683	0.6
128.23672	0.5
135.11671	1.2
136.12013	0.9
149.13312	0.6
153.52281	0.4
201.63901	0.5
248.24554	0.6
266.25638	0.6
340.29346	17.8
340.39362	100.0
341.26346	0.9
341.29977	0.7
341.39706	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	341.1221
Annotation	Macrosphelide B
Peak:m/z	Relative Intensity
53.03937	1.7
53.33235	0.9
55.01863	1.4
55.05512	1.0
57.03422	3.1
67.05503	1.4
69.03427	2.0
70.06579	3.8
70.65641	1.3
73.02924	1.6
75.04470	1.1
77.03942	0.9
79.05487	9.5
81.07044	2.2
83.01330	2.3
83.06110	1.1
84.08119	2.4
85.02883	2.4
86.09702	2.0
91.05442	10.3
93.07040	54.2
95.04955	4.9
95.06086	5.1
100.07600	0.9
101.02354	3.1
103.05451	2.6
105.04498	1.4
105.07032	10.0
105.88516	0.9
106.07790	1.4
107.08544	2.6
109.06503	1.2
109.10159	0.9
110.83459	0.9
111.00789	1.0
113.07101	2.2
113.19415	1.0
119.04961	1.3
119.08572	2.3
121.10139	100.0
122.03622	1.6
122.10464	1.7
123.08034	1.5
129.06836	1.0
131.08528	2.0
133.06555	1.0
133.07587	1.9
137.05978	16.6
144.10191	1.2
147.04413	1.8
149.09618	13.5
157.01057	13.1
157.06444	1.1
161.05763	1.2
163.07521	1.5
167.10640	2.1
175.07518	2.6
177.05539	1.7
187.07515	5.7
189.08939	1.5
191.08522	1.1
195.06511	3.2
196.14014	0.9
203.08578	1.8
207.09901	5.4
211.07497	2.0
217.08577	3.4
219.07965	1.8
225.11017	4.4
231.08069	2.6
239.07004	1.8
240.07813	1.9
247.07509	1.5
248.08333	3.5
256.07260	1.1
263.10522	2.3
271.09723	4.6
276.07828	1.9
279.09995	1.5
291.10114	6.9
311.12695	2.2
323.12900	5.3
338.80466	1.0
341.12003	65.8
341.20337	4.4
342.12326	2.2
357.20020	1.0
359.82986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
54.03764	0.5
55.01868	2.0
55.05494	1.0
55.27477	0.5
57.03447	3.8
65.03939	1.0
67.05489	1.0
67.67946	0.5
69.03416	2.0
69.16453	1.3
69.16864	2.2
71.04996	1.1
72.08134	0.9
73.02908	1.9
75.04488	1.1
75.73963	0.5
77.03909	0.7
77.40099	0.5
78.36973	0.5
79.05492	10.7
81.07037	2.0
83.01332	2.2
85.02898	2.8
91.05450	10.2
92.05751	0.6
93.07039	46.5
94.04190	1.4
94.07378	0.8
95.04959	4.8
95.08579	0.9
97.07635	0.8
100.07633	0.6
101.02370	2.5
103.05462	2.2
105.04498	1.5
105.07023	11.7
106.07815	0.9
106.44620	0.6
107.04962	1.2
107.08592	4.2
109.06500	1.6
111.00808	0.8
113.02351	0.7
113.71124	0.6
114.10258	0.7
115.05502	0.9
119.04949	0.9
119.08576	2.7
121.10137	100.0
122.03646	2.3
122.10467	3.4
123.08068	2.2
128.06201	0.7
129.01830	1.6
129.07025	3.2
131.04947	1.0
131.08553	2.4
133.02870	1.7
133.06589	0.6
133.07596	1.4
135.08046	0.7
137.05966	31.3
144.05701	1.5
145.70978	0.5
147.02888	1.0
147.04446	1.0
149.05975	1.6
149.09613	12.9
151.03909	1.0
151.07550	1.4
153.05478	0.7
157.06450	2.2
158.07219	0.7
160.05168	0.9
163.03955	0.7
163.07550	1.3
165.05469	0.6
165.07095	0.6
167.10701	1.7
172.05171	2.1
173.05930	0.7
174.06761	4.0
175.07523	4.1
177.05484	2.2
177.09047	0.8
179.07059	1.5
181.04929	8.1
185.05992	0.6
187.07513	12.3
187.09048	1.0
188.08206	0.7
189.09109	5.2
191.08531	1.0
196.05260	1.1
199.07489	2.1
202.07784	1.3
203.05493	0.7
203.08481	3.8
204.09215	0.6
211.07619	4.2
213.05492	0.7
217.08588	7.7
219.08035	3.3
220.08812	1.3
221.05928	0.6
227.07016	1.4
231.08041	3.2
232.08807	0.7
233.06012	0.7
233.09412	0.6
235.07584	0.8
236.08304	1.2
237.09160	0.7
239.07054	2.6
240.07784	1.7
247.07487	2.8
248.08243	6.4
249.08974	1.5
251.10654	2.0
253.08716	1.1
255.06561	1.0
256.07199	1.4
259.07623	1.6
260.08252	1.1
261.09155	1.3
262.09702	0.8
263.10675	4.7
264.07794	1.3
265.08521	1.9
270.08844	2.2
271.09634	7.8
276.07782	2.2
277.05643	0.6
277.08514	1.8
279.10016	4.2
280.10818	1.2
281.08054	1.3
283.09625	1.5
291.10162	12.6
292.10684	1.5
293.08054	1.6
296.10431	2.5
297.11249	0.6
308.10440	1.6
311.12769	5.2
312.15714	0.9
313.14307	0.7
323.12750	11.7
341.06732	0.8
341.14111	5.4
342.16589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.11661	2.0
55.01878	2.9
55.05495	2.3
57.03413	3.8
57.98851	2.2
68.03744	2.2
69.39489	7.3
69.39878	4.0
79.05482	10.0
85.02917	3.0
86.09698	2.2
91.05472	9.7
93.07040	40.0
95.04960	4.9
101.02319	2.9
103.05416	3.8
105.07011	10.2
107.05033	2.3
109.06533	3.0
119.04922	4.1
119.08572	2.9
121.06513	2.7
121.10138	87.1
122.03642	6.7
129.07001	9.3
131.04959	5.3
133.02870	3.3
137.05968	100.0
137.07016	5.3
138.06316	2.4
143.08528	2.2
144.05737	5.5
145.06512	3.5
147.04362	2.9
147.07985	3.0
149.05937	3.6
149.09605	11.2
151.03900	3.0
151.07524	6.2
157.06561	4.9
160.05174	3.6
161.05975	6.9
163.07430	3.2
165.05435	4.2
172.05191	7.6
174.06721	11.2
175.07556	16.3
177.05482	5.0
179.06982	3.2
181.04994	13.0
187.07533	44.2
189.09090	16.6
191.08516	2.7
199.07570	3.1
202.07791	3.6
203.08507	14.5
207.08078	4.0
211.07544	14.2
213.05444	3.7
216.70084	3.2
217.08604	26.3
219.08090	12.9
220.08804	5.5
227.07019	3.5
231.08064	13.1
232.08672	4.0
233.06056	2.9
233.09645	2.9
236.08289	3.9
237.09116	4.5
239.06960	7.8
240.07773	7.7
247.07483	8.4
248.08253	17.0
249.09023	5.3
250.06105	2.6
251.10629	7.9
255.06543	5.7
256.07330	4.8
259.07477	5.6
260.08084	2.5
261.09103	3.0
263.07108	2.9
263.10632	13.6
264.07809	4.1
265.08478	6.1
270.08865	10.0
271.09683	23.3
276.07758	7.1
277.08505	7.3
279.10223	19.3
281.08066	2.5
283.09457	3.6
291.10144	44.1
292.10751	5.3
293.08099	5.3
296.10321	10.4
297.11023	4.5
308.10522	5.7
309.11099	7.8
311.12885	15.7
323.12802	39.8
326.78018	2.7
341.13834	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.34429	1.1
53.03957	1.5
53.30671	1.3
55.01874	1.3
55.05505	1.5
67.05506	2.0
69.03423	2.0
69.07065	2.5
69.10503	10.4
69.68778	1.4
79.05497	3.0
81.03406	2.0
81.07062	1.9
84.43044	1.7
86.91049	1.5
90.99345	1.5
91.05460	8.5
93.07036	2.6
93.25757	1.4
94.04186	2.5
95.04930	1.9
97.75175	1.6
103.05473	3.2
104.81544	1.5
105.07024	6.5
107.04944	2.5
108.25481	1.5
115.05444	4.6
117.06985	4.5
119.04960	2.6
119.08589	6.9
119.09332	1.3
120.29431	1.3
121.06498	3.7
121.10094	1.9
122.03615	10.1
127.11154	2.1
128.06232	3.6
129.07016	6.2
131.04942	2.2
132.05731	6.8
133.06488	4.2
137.05972	100.0
138.06328	1.5
145.06490	3.4
146.03603	3.7
147.04424	6.4
147.08025	10.9
149.05946	2.0
151.07533	2.8
155.04936	1.5
157.06499	3.5
160.05219	5.5
161.05960	32.7
163.07590	1.4
171.95734	1.4
175.07539	84.0
176.07808	2.9
177.05409	3.7
177.09123	8.6
178.07857	1.3
185.06006	2.5
187.07602	4.2
189.09105	3.9
190.07817	2.8
191.08560	5.1
199.07568	2.4
202.07762	4.4
203.08546	5.7
207.08051	2.2
208.00140	1.2
217.08479	3.0
218.07434	1.8
219.08054	8.0
220.08760	4.1
223.07446	1.3
231.08102	7.2
232.08664	2.4
234.06909	1.9
235.07437	3.1
236.08369	2.6
237.09219	2.0
247.07433	7.6
248.08328	5.3
249.09099	2.7
251.10841	6.9
259.07593	7.5
260.08087	2.9
263.07260	1.8
263.10684	4.3
264.07928	1.5
265.08737	4.0
276.07773	3.1
279.10181	9.7
281.08130	2.2
291.10141	10.0
309.11148	16.0
311.12704	9.5
323.12802	8.7
333.83984	1.4
341.13855	22.6
342.13782	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34764	2.0
55.01875	2.7
57.03448	4.3
65.03963	3.1
69.53348	8.4
70.06609	2.7
71.05000	3.6
79.05501	12.9
81.07027	4.2
85.02927	3.2
86.09720	2.3
91.05454	12.6
93.07043	48.5
94.04182	3.3
95.04979	4.8
101.02386	4.4
103.05496	3.5
105.07024	12.2
106.07857	2.2
109.06535	4.6
119.08572	3.0
121.10143	99.1
122.03665	6.7
123.08073	2.8
128.06265	2.4
129.07022	7.7
131.04912	5.9
131.08536	4.3
133.02869	3.4
133.07553	2.6
137.05977	100.0
138.06314	3.0
144.05698	3.7
146.07317	2.7
147.08081	3.4
149.05975	4.9
149.09666	10.8
151.07536	8.3
157.06445	6.8
161.05989	6.1
163.07542	2.9
165.05534	5.8
171.08194	2.5
172.05161	5.7
174.06779	10.9
175.07526	18.7
177.05588	4.8
181.04944	12.7
187.07535	41.9
189.09068	19.9
191.08557	6.6
196.05241	3.3
199.07617	2.9
202.07790	4.1
203.08586	12.9
204.31647	2.6
208.08932	2.5
211.07481	12.2
213.05452	3.1
217.08582	27.0
219.08112	8.8
220.08833	6.0
227.06995	7.9
228.07664	2.6
231.08041	16.0
232.08847	4.3
233.09834	3.3
237.09138	3.7
239.07054	9.2
240.07823	8.0
247.07561	9.7
248.08359	22.0
249.09064	3.5
251.10565	5.9
253.08540	4.6
255.06450	3.8
256.07236	3.4
259.07587	6.5
260.08505	2.8
263.06824	2.8
263.10739	17.2
264.07742	5.1
265.08524	6.2
270.08905	6.9
271.09631	21.4
276.07730	4.6
277.08389	5.9
279.10159	14.8
281.07797	3.0
283.09677	6.8
291.10156	45.2
292.10745	5.2
293.08127	5.0
296.10480	10.6
297.11234	3.1
308.10410	5.7
309.11261	6.1
311.12793	18.0
323.12747	36.1
324.13007	3.4
341.13870	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34429	1.1
53.03957	1.5
53.30671	1.3
55.01874	1.3
55.05505	1.5
67.05506	2.0
69.03423	2.0
69.07065	2.5
69.10503	10.4
69.68778	1.4
79.05497	3.0
81.03406	2.0
81.07062	1.9
84.43044	1.7
86.91049	1.5
90.99345	1.5
91.05460	8.5
93.07036	2.6
93.25757	1.4
94.04186	2.5
95.04930	1.9
97.75175	1.6
103.05473	3.2
104.81544	1.5
105.07024	6.5
107.04944	2.5
108.25481	1.5
115.05444	4.6
117.06985	4.5
119.04960	2.6
119.08589	6.9
119.09332	1.3
120.29431	1.3
121.06498	3.7
121.10094	1.9
122.03615	10.1
127.11154	2.1
128.06232	3.6
129.07016	6.2
131.04942	2.2
132.05731	6.8
133.06488	4.2
137.05972	100.0
138.06328	1.5
145.06490	3.4
146.03603	3.7
147.04424	6.4
147.08025	10.9
149.05946	2.0
151.07533	2.8
155.04936	1.5
157.06499	3.5
160.05219	5.5
161.05960	32.7
163.07590	1.4
171.95734	1.4
175.07539	84.0
176.07808	2.9
177.05409	3.7
177.09123	8.6
178.07857	1.3
185.06006	2.5
187.07602	4.2
189.09105	3.9
190.07817	2.8
191.08560	5.1
199.07568	2.4
202.07762	4.4
203.08546	5.7
207.08051	2.2
208.00140	1.2
217.08479	3.0
218.07434	1.8
219.08054	8.0
220.08760	4.1
223.07446	1.3
231.08102	7.2
232.08664	2.4
234.06909	1.9
235.07437	3.1
236.08369	2.6
237.09219	2.0
247.07433	7.6
248.08328	5.3
249.09099	2.7
251.10841	6.9
259.07593	7.5
260.08087	2.9
263.07260	1.8
263.10684	4.3
264.07928	1.5
265.08737	4.0
276.07773	3.1
279.10181	9.7
281.08130	2.2
291.10141	10.0
309.11148	16.0
311.12704	9.5
323.12802	8.7
333.83984	1.4
341.13855	22.6
342.13782	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21552	0.5
70.14832	1.0
86.49867	0.5
98.01679	0.5
98.22817	0.6
100.11256	0.8
112.97894	0.5
136.05244	0.8
150.21684	0.5
182.05785	100.0
183.06070	2.9
184.05556	7.1
196.07295	1.1
197.07574	0.6
198.05260	3.4
198.07173	9.3
355.71747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1569
Annotation	His Asn Ala
Peak:m/z	Relative Intensity
54.81896	0.9
61.83670	0.9
69.03404	1.6
71.42510	1.1
71.42923	1.2
79.14254	1.0
84.99696	1.0
85.02902	1.3
86.09721	1.1
91.05786	1.4
96.54377	1.1
99.04462	1.2
117.05466	1.2
149.09619	1.6
179.10410	4.8
179.31013	1.2
185.04185	46.1
190.33539	0.9
236.45416	1.2
256.09842	1.1
314.13812	3.7
341.15662	100.0
342.16141	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	341.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98260	11.7
64.78295	0.7
67.05503	1.9
69.07059	0.9
71.43247	1.0
79.05493	0.8
81.07050	2.3
82.99332	0.9
83.08689	0.7
84.08137	0.9
85.62468	0.7
86.16302	0.7
93.07043	1.4
95.08592	1.3
98.07298	0.7
100.07611	2.4
119.08540	0.9
119.76666	0.7
129.88966	0.8
131.08609	0.7
135.19034	0.7
151.07498	1.2
173.13269	0.8
173.23427	0.9
193.71436	0.7
220.06067	1.8
221.04437	3.2
224.19928	0.9
319.21240	4.6
323.16129	1.4
323.19611	13.6
328.69562	0.7
337.22205	3.1
341.20627	100.0
341.29504	2.2
342.13467	1.8
342.20905	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	341.2088
Annotation	bohemine
Peak:m/z	Relative Intensity
60.04525	11.2
64.84779	1.1
65.07171	1.0
67.05505	1.5
69.07072	1.2
71.08528	2.0
79.05498	1.0
81.07093	1.1
88.07633	6.7
98.97581	2.5
109.10155	1.3
116.98592	1.1
117.05509	1.2
119.08650	1.3
130.69118	1.2
233.36359	1.1
280.26114	1.4
298.27502	2.8
326.12979	2.0
341.20856	100.0
342.21024	6.4
342.29953	1.4
359.86130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.211
Annotation	Norethindrone acetate
Peak:m/z	Relative Intensity
50.60124	0.6
55.05515	3.2
57.07063	2.0
65.03929	0.8
67.05494	5.6
67.87592	0.7
69.03419	2.7
69.07058	2.4
70.96086	1.6
71.08586	0.7
78.10173	0.6
78.65731	0.6
79.05484	2.5
81.03420	5.1
81.07069	3.9
83.08614	2.2
91.05472	4.1
92.41755	0.7
93.07011	3.8
95.04959	8.9
95.08610	3.8
102.39677	0.6
105.07018	2.7
107.04972	0.9
107.08600	2.0
109.06497	2.7
109.10139	6.2
117.07026	1.2
119.04967	1.3
119.08572	2.1
121.06508	4.8
121.10122	2.7
123.04427	5.7
123.08049	0.8
129.06978	0.8
131.04913	1.3
131.08560	3.2
133.06557	0.8
133.10098	2.8
135.08075	3.4
135.11658	1.4
137.05980	6.7
137.09601	2.7
142.07774	0.8
143.08542	1.5
145.06476	3.4
145.10132	2.1
147.07994	1.8
147.11670	1.1
149.09621	2.9
152.06140	1.1
155.08600	1.3
157.10120	3.3
159.07962	1.6
159.11697	2.3
161.05885	0.7
161.09593	2.6
161.13318	1.0
163.11220	0.8
169.10143	1.3
171.07945	0.8
171.11644	2.0
173.09633	1.3
173.13239	2.6
175.07542	0.9
175.11147	1.8
175.14731	0.8
181.28629	0.7
183.08020	1.1
183.11638	0.9
185.09604	3.1
185.13159	1.5
187.07562	1.9
187.11192	2.2
187.14789	2.3
188.08264	0.8
189.12750	1.0
189.16338	1.7
191.14282	4.3
195.11655	1.5
197.09644	2.5
197.13345	0.9
199.11070	2.0
199.14742	3.4
200.15366	1.3
201.08994	0.8
201.12691	1.2
205.15866	3.0
209.13307	0.7
211.11172	4.3
213.12775	1.4
214.09857	0.8
215.10677	2.0
215.14221	0.8
217.12282	1.0
217.15845	5.9
221.04485	1.7
225.12712	2.2
227.14212	0.8
229.12196	2.5
241.15968	1.0
243.13762	1.0
245.86049	0.7
251.14194	0.8
264.44189	0.8
267.17148	0.7
267.88205	0.8
271.13181	0.9
271.20520	1.2
281.18973	8.7
299.20023	100.0
300.20367	6.7
323.19980	2.6
324.95523	0.8
341.09299	1.5
341.21014	21.8
341.31650	1.5
342.21262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
57.07075	9.0
67.05511	8.6
69.07060	7.3
69.63943	13.5
70.06576	6.3
71.08598	5.6
79.05489	5.0
81.07057	33.7
90.68631	4.1
91.05473	4.9
93.07037	9.8
95.08626	8.0
107.08593	7.5
109.06487	14.9
109.10094	4.7
111.04456	12.3
119.08604	4.7
121.10127	4.3
123.18779	4.3
129.12891	5.1
133.10095	5.1
135.08049	8.2
137.05957	100.0
143.08571	5.3
149.09651	4.2
151.11270	4.8
173.03778	4.7
184.47366	3.9
203.18120	4.6
218.89485	4.4
220.05882	4.4
221.04385	6.2
231.17378	10.1
249.18513	9.6
277.17978	76.9
278.18405	4.4
283.26276	11.8
295.19019	15.4
340.39944	5.9
341.20782	8.3
341.39865	5.4
342.33585	7.7
342.37265	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	33.4
56.27562	29.5
63.57394	28.0
67.05518	34.6
69.44457	71.8
69.44866	100.0
73.71000	29.6
79.05496	35.1
81.07064	66.7
93.07058	70.0
95.08609	72.5
98.22755	47.1
105.07025	35.1
107.08604	36.8
109.10142	33.8
119.08596	81.4
121.10150	57.8
131.08461	41.9
131.78479	29.9
133.10199	52.2
145.10120	72.7
159.11703	47.8
161.13271	32.4
170.56389	33.7
173.13258	54.8
175.14832	34.1
177.12814	29.6
187.14833	67.3
201.16437	38.6
202.39972	29.8
243.20976	35.7
269.22748	42.8
287.23642	68.9
305.24881	63.7
317.31744	30.9
341.20798	33.7
342.24341	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	CHEBI:70640
Peak:m/z	Relative Intensity
53.55153	0.5
55.01861	0.6
57.03412	2.0
64.59760	0.5
65.03939	2.6
65.04236	0.4
67.05486	1.7
67.32296	0.4
68.50071	0.4
68.99780	0.8
69.03109	0.6
69.03419	5.4
70.06577	5.6
72.08127	1.2
77.85250	0.4
79.05489	2.3
81.07023	0.9
82.04174	0.6
83.04954	0.6
83.82848	0.4
85.02882	1.6
89.78976	0.4
91.05473	3.6
93.07012	0.9
95.04935	3.0
95.06067	0.5
97.02865	0.8
97.06509	2.0
99.04417	0.6
103.05455	3.2
105.03361	0.5
105.07036	0.5
107.04919	2.7
108.08123	0.5
109.06474	1.4
109.22485	0.6
111.04408	0.5
119.04922	4.8
123.04385	2.0
125.05936	2.0
127.03882	1.9
131.04895	6.9
132.05246	1.1
132.11307	4.4
135.04385	1.3
137.05983	4.9
138.03094	0.7
138.06308	0.8
140.04689	0.7
142.02434	0.5
147.04381	5.0
153.05441	1.9
154.99550	0.5
164.07903	0.7
165.01772	0.8
165.05455	1.4
169.01245	0.9
171.06496	1.7
175.03908	7.5
177.05403	0.7
179.03375	1.9
180.10266	0.5
181.01506	2.4
181.04941	39.2
183.02861	1.5
193.04938	8.6
195.02869	5.2
195.06529	1.1
196.06909	0.6
199.02322	1.2
202.04973	1.0
203.03406	3.5
209.04428	4.4
213.03845	0.5
220.06017	2.1
221.04431	100.0
222.04813	2.4
229.12312	0.7
238.07098	6.5
239.05458	5.6
279.10275	1.0
283.09763	2.6
289.08633	0.9
294.12524	2.2
295.09549	0.8
299.09265	1.1
307.09534	1.7
310.11963	1.2
310.28088	0.5
313.10913	1.1
324.12372	1.3
325.10690	16.2
325.14197	1.1
326.10999	0.8
342.13324	53.4
343.13788	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	342.1406
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
55.02995	0.2
61.02916	0.5
64.83051	0.2
69.03419	1.1
71.06112	0.5
71.90018	0.2
76.15011	0.2
84.04498	0.6
85.02911	1.6
90.48700	0.2
91.03934	0.4
97.02887	0.8
98.97578	0.6
99.04443	0.7
103.69143	0.2
110.03517	4.6
115.22662	0.2
116.98608	0.5
117.05479	0.6
117.09116	0.5
126.68047	0.2
127.03910	0.4
128.04579	0.3
135.03050	1.4
137.08206	1.6
144.06491	0.5
145.04930	0.6
151.03865	0.4
153.04063	2.1
161.09183	0.3
162.07785	1.1
162.96931	0.2
163.06012	0.8
165.06439	0.5
179.00674	0.6
180.08791	100.0
181.09190	2.6
194.30888	0.2
216.06473	0.2
220.46136	0.2
221.01784	0.9
245.01685	0.3
258.99728	0.3
262.03220	0.3
263.02856	3.1
264.02933	0.2
276.08548	0.2
277.00848	0.4
286.04645	0.2
328.05533	0.6
342.14243	0.3
363.45001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01875	2.3
57.03439	5.1
61.02918	8.0
65.03959	1.4
69.03428	17.4
70.06580	1.8
71.04988	2.8
73.02919	4.5
81.03420	6.4
81.07072	1.3
83.04945	1.1
85.02903	100.0
87.04464	2.5
91.03962	8.6
91.05841	1.2
92.66068	1.0
95.04974	2.6
96.72961	0.9
97.02892	26.9
99.04459	6.6
105.07052	1.1
107.08611	1.9
109.02880	7.6
117.05499	2.6
119.08606	1.0
127.03909	24.8
135.08032	2.5
137.09511	1.0
145.04953	53.1
151.03896	11.3
151.04959	1.3
162.07716	0.8
162.09174	1.6
163.06036	15.6
163.07446	2.2
164.01526	0.9
168.10149	1.3
180.08731	3.8
181.04921	6.4
181.08568	7.8
192.41455	1.1
300.00726	0.9
325.11438	1.6
342.15460	5.0
343.13763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	0.1
53.03931	0.1
54.91495	0.1
55.01862	0.2
55.02993	3.4
55.03258	0.2
55.05507	1.2
56.05037	0.2
56.26147	0.1
57.03415	0.1
57.04554	0.7
60.05635	0.2
62.73716	0.1
65.03937	1.9
67.01863	0.1
67.05497	0.7
69.03415	0.4
69.39129	0.2
69.39516	0.3
70.06587	8.9
71.04997	0.5
72.05630	0.3
72.08150	6.7
73.06531	0.8
77.03909	0.1
79.05480	0.3
80.05016	0.1
82.04199	0.7
84.08135	0.4
85.02898	2.1
86.09688	0.6
90.09203	0.2
93.03402	0.7
93.07040	0.2
95.04939	0.4
95.06061	0.3
97.02905	0.2
97.06543	0.8
97.07645	14.8
98.06078	0.5
98.07968	0.2
98.22735	0.2
108.02052	0.2
110.03649	1.1
111.04437	0.5
114.10287	5.1
115.08681	2.2
115.10555	0.1
116.07084	0.5
120.68143	0.1
121.10149	0.2
122.10467	0.3
123.04433	0.3
125.02386	0.1
125.05972	1.0
126.10265	1.1
127.03890	0.2
127.08649	0.3
132.11316	2.0
137.05948	0.2
138.03076	0.7
138.05530	0.2
140.04686	0.9
142.02625	0.4
144.11301	0.9
145.04976	0.2
153.05450	3.9
154.05801	0.1
155.07021	0.6
155.08145	0.2
163.05957	0.2
166.02625	0.2
171.06520	3.3
180.06624	0.1
181.04938	100.0
182.05287	2.8
188.07753	0.1
198.07620	1.0
199.05974	0.2
199.18118	0.1
211.05917	0.2
252.12282	0.3
253.10762	0.7
268.11703	0.2
295.12866	8.6
296.13150	0.4
309.83688	0.1
312.15497	11.6
313.15659	0.5
324.15509	17.5
325.15857	0.9
333.93051	0.1
342.16565	9.6
343.16962	0.6
364.82010	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91833	1.4
53.03936	1.9
55.01849	1.6
55.43123	1.6
57.03429	10.0
57.07072	8.0
60.90920	1.6
63.93357	1.4
65.03925	5.8
65.97588	1.5
67.05499	4.5
69.03428	7.3
69.14807	11.1
70.06568	3.7
71.04956	2.7
77.03918	1.6
81.03394	5.1
81.07027	2.4
82.04242	1.7
85.02889	18.2
85.06536	10.2
86.37341	1.5
92.29872	1.4
95.04955	6.4
95.06081	1.7
97.02882	7.0
97.06496	2.0
99.04439	3.8
99.08064	2.4
101.05966	1.9
103.07570	56.4
104.07896	1.8
107.04959	3.1
109.02866	2.4
110.03665	2.2
111.00819	2.4
111.04433	1.6
113.06005	1.8
117.09119	9.6
122.64892	1.4
123.04427	4.5
127.03906	4.4
127.07564	10.3
129.01831	1.7
131.07018	3.0
133.02853	5.7
134.03578	1.5
140.04665	7.0
145.04916	4.7
145.08595	4.7
151.03908	2.8
153.05460	4.9
153.52802	1.6
163.09627	19.6
171.06493	3.7
179.03322	7.3
181.04935	100.0
208.07854	2.7
307.04602	2.0
325.09207	2.5
343.10065	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.6
55.05261	3.7
55.05509	58.3
57.07079	3.5
57.22796	2.6
58.06569	3.0
59.04994	2.5
60.04533	12.0
63.39647	2.3
67.05504	23.8
69.03411	7.1
69.07066	38.1
69.37222	2.6
70.06638	2.6
70.08446	2.4
71.43160	4.3
74.36838	2.6
79.05488	38.9
81.03355	2.9
81.07057	30.7
83.04971	5.5
83.08614	35.6
88.07615	5.4
88.13876	2.2
91.05479	22.0
93.07047	23.9
95.04950	7.6
95.08613	16.0
97.06517	9.3
97.10168	80.0
100.07588	2.4
103.05411	2.9
105.07024	21.9
107.04977	3.6
107.08590	100.0
109.06512	4.6
109.10151	5.6
111.08073	4.6
113.18719	2.3
113.25172	2.4
117.06972	5.9
119.08548	13.9
121.10153	6.0
123.08091	3.0
125.09630	84.7
125.55244	2.4
126.34457	2.3
129.06938	3.1
131.08530	5.5
133.10135	10.6
135.08015	17.2
135.11697	4.0
145.10129	14.7
147.11679	7.8
149.09613	8.9
153.09106	16.7
154.72737	2.6
157.12250	7.8
159.11650	8.1
161.13240	4.3
163.11148	4.6
167.32535	2.9
169.10022	2.5
173.13275	5.5
177.12762	3.2
181.04884	2.8
181.12202	3.9
203.12766	97.5
203.14613	5.9
221.04413	16.4
226.21523	3.3
239.17937	7.2
257.18924	12.0
275.20059	42.1
289.21689	17.2
307.22690	7.5
317.89233	2.6
342.13446	6.7
342.21167	19.3
342.30432	4.7
343.11783	5.8
343.18698	3.1
343.22305	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	44.3
67.05499	100.0
69.07070	45.0
70.06583	38.0
79.05489	87.5
80.64114	11.9
81.03380	11.6
81.07048	46.3
88.07648	23.7
91.05479	50.4
93.07026	51.9
95.04955	20.8
95.08615	41.1
97.10170	28.4
98.06059	13.3
99.04454	10.1
105.07005	51.6
107.08598	42.4
109.10143	44.6
119.08577	39.6
121.10160	35.2
125.09657	21.4
129.07069	10.9
131.08592	24.7
133.10141	20.1
135.11674	11.8
137.09592	18.1
145.10033	16.7
163.11185	13.1
173.11722	28.8
186.14928	16.6
203.12813	13.2
220.06082	10.8
221.04453	93.4
222.04898	11.9
225.37035	11.0
226.21786	14.7
275.20041	30.9
299.09097	14.5
313.07095	16.9
342.13303	51.4
343.11664	24.4
343.22296	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.5
57.03434	8.1
57.07071	10.9
58.06594	6.7
64.41218	6.2
67.05492	22.5
69.07058	19.6
69.58612	36.0
70.06579	9.2
72.08169	8.7
79.05497	19.8
81.07048	24.6
88.07611	8.3
91.05465	18.4
93.07057	20.1
95.04997	8.0
95.08584	16.2
97.06546	8.2
98.22669	7.9
105.07022	12.5
107.08590	10.3
109.10130	10.2
110.06008	16.4
119.05000	8.2
119.08587	14.2
121.10179	12.4
131.08607	7.0
137.06006	10.3
147.04417	12.3
147.11711	6.6
193.04962	8.2
221.04456	100.0
226.21623	8.0
230.24785	19.6
284.06885	8.9
287.20282	8.0
294.52142	7.0
313.06937	10.6
325.10693	11.8
342.13278	49.3
342.37128	40.0
343.11752	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	342.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
55.68465	1.9
56.96563	47.0
57.21709	1.8
61.02932	2.9
67.05510	2.0
69.03416	5.8
69.07059	2.0
69.16320	11.3
81.07053	8.2
83.04977	5.4
85.02868	3.7
85.54979	2.1
91.03949	3.4
93.07046	2.4
95.08606	6.7
98.22692	3.5
98.97586	8.8
99.04433	9.6
105.07020	4.4
107.08570	6.8
109.10173	3.6
116.98598	11.6
117.05476	6.7
119.08561	5.7
121.10141	3.4
123.11678	3.6
133.10103	5.2
133.60136	2.0
134.99643	5.6
135.11653	4.2
145.10107	4.7
147.11644	4.0
151.11183	2.9
159.11642	6.0
163.06064	4.6
165.02258	2.8
173.13251	4.5
175.14809	3.9
183.03305	9.7
187.14915	3.8
189.16379	5.5
201.04295	11.9
201.16342	3.5
203.17897	2.3
207.03345	6.5
207.17453	3.5
209.04900	3.6
211.02727	2.6
213.04227	2.8
215.17970	3.2
219.03232	1.9
221.04559	2.5
225.04422	3.0
229.19592	2.6
235.06375	2.6
237.04192	3.6
251.02362	2.6
255.06985	14.7
257.04633	1.9
258.05746	2.6
261.04355	3.4
271.06378	2.8
271.24191	19.2
272.03485	2.9
273.07962	60.3
276.06665	6.7
282.08441	1.9
283.06326	7.1
286.05246	2.2
289.07516	3.2
289.25409	2.6
290.04608	2.7
291.09015	100.0
296.09576	5.8
301.07410	35.4
309.10135	14.0
313.07025	2.7
314.10596	7.0
319.08499	33.1
324.08978	3.7
335.18195	2.0
337.09549	7.3
342.10150	2.5
343.11560	6.3
361.09567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94588	1.1
55.05510	8.4
56.05036	5.1
57.07068	2.1
58.06582	2.6
60.04522	100.0
65.26620	1.0
67.05503	11.6
68.05048	1.1
69.03423	1.7
69.05024	1.1
69.07063	7.9
70.06576	1.6
71.04985	1.2
71.08137	1.5
71.11902	1.0
72.04507	2.8
73.02909	1.2
74.06071	1.3
79.05481	6.7
81.07046	10.9
82.06557	2.7
83.04974	2.8
83.08607	5.2
85.02882	1.5
85.10181	1.5
86.06051	2.4
88.07624	73.5
90.75006	1.0
91.03937	1.7
91.05475	3.9
91.46507	0.9
93.07049	5.5
94.06555	2.3
95.08607	10.3
95.72077	1.0
96.08144	1.2
97.10152	1.9
98.97558	1.9
99.04443	5.6
105.07019	1.6
107.08633	2.5
108.08112	1.4
109.10150	2.1
117.05534	2.3
119.08545	2.0
121.10123	2.3
123.11718	1.2
134.09573	1.2
207.28905	1.1
250.25342	2.6
262.25220	2.2
276.79602	1.1
280.26315	17.6
298.27365	18.9
312.11459	1.1
313.06949	2.0
324.28918	3.3
327.13675	1.4
342.16174	5.5
342.30008	29.6
343.11603	4.8
343.30139	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
57.07072	21.5
58.06595	1.4
60.08154	0.6
62.06086	3.6
67.05503	2.6
69.07059	3.3
70.06585	0.7
71.08624	11.9
72.08153	1.8
73.02910	2.6
81.07056	3.0
83.08602	2.5
85.10181	5.1
86.09709	0.4
87.04491	0.4
89.28525	0.4
95.08610	4.5
97.06561	0.5
97.10161	1.6
97.13023	0.4
101.24598	0.4
107.08562	0.4
109.10116	1.9
111.11755	0.4
113.06203	0.4
135.61812	0.4
140.83493	0.5
147.04375	0.5
149.13254	0.4
150.50107	0.4
156.17474	1.5
166.15984	0.5
173.24161	0.4
174.18504	5.1
202.21637	0.6
212.23792	1.7
221.04472	1.8
230.24797	5.2
240.23170	0.5
283.26294	90.1
284.26590	5.2
298.34628	0.6
324.36279	1.1
325.11005	0.6
342.13513	0.9
342.33554	32.6
342.37283	100.0
343.11789	1.7
343.33838	1.9
343.37643	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	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
57.07072	7.7
58.06602	1.0
60.04508	0.2
62.06082	3.1
63.31552	0.1
68.24068	0.1
69.07063	0.3
69.43698	0.5
70.63863	0.1
71.08624	3.8
72.08145	1.7
74.06064	0.2
75.15632	0.1
85.10174	0.8
98.02394	0.1
114.70969	0.1
141.62793	0.1
156.17480	1.7
170.19081	0.3
174.18524	4.7
175.18936	0.2
184.20549	0.3
202.21649	1.7
212.23668	1.1
221.04527	0.2
226.25276	0.2
228.23297	0.2
230.24767	4.4
285.07629	0.2
293.57574	0.1
298.34772	0.2
320.72757	0.1
324.36249	1.2
342.37259	100.0
343.11728	0.3
343.37604	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	343.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62362	0.8
55.05503	1.0
56.70555	0.6
56.96560	44.7
58.34543	0.7
67.05479	1.0
69.07037	0.8
71.42123	0.7
74.17741	0.7
81.07059	1.1
83.04973	4.1
84.95994	0.8
85.15630	0.7
93.07025	0.9
95.08590	1.7
98.97563	7.5
100.69395	0.7
106.68304	0.7
107.08569	0.9
108.17469	0.9
109.10126	0.9
116.98624	6.3
123.19017	0.7
133.10117	0.9
134.99622	5.3
147.01259	0.8
149.32283	0.8
165.02177	1.5
169.01698	0.8
177.02248	1.4
179.00221	0.8
181.01758	0.9
183.03285	11.7
189.02211	2.8
189.16423	1.3
195.03297	1.4
199.11125	1.5
201.04309	11.5
201.16444	0.9
207.03264	8.0
209.04848	3.9
209.09489	0.8
211.02734	1.4
213.04312	2.0
219.03322	1.9
219.05362	1.2
220.04013	0.8
225.04242	1.9
233.04895	2.6
235.02765	1.4
235.06380	2.8
237.04335	3.4
237.06248	1.1
240.23219	1.4
241.05261	1.4
243.03198	1.8
247.06339	1.2
249.04356	0.9
249.07970	1.6
251.02380	1.3
251.05937	1.2
253.07556	1.3
255.06941	13.0
257.04813	1.0
258.05582	2.9
259.06345	2.6
261.04391	2.2
262.05066	1.3
263.09500	1.1
264.02997	1.1
268.03909	1.2
269.03436	1.1
271.06512	2.8
271.24203	3.4
272.03607	4.5
272.24396	1.1
273.07944	58.1
274.08313	2.5
275.05893	1.8
275.09265	0.7
276.06580	5.8
277.03989	0.9
277.07193	1.3
278.00961	1.0
280.85672	0.7
283.06332	5.5
285.04398	1.6
286.05112	1.7
289.07440	2.3
290.04611	4.0
291.08994	100.0
292.09244	4.0
294.07736	1.2
296.09528	3.9
299.08920	0.9
301.07437	31.8
302.07690	1.1
303.05167	1.0
305.10318	0.9
309.10071	11.1
313.06879	1.1
314.10562	6.3
315.05469	1.8
315.08926	1.1
319.08521	31.4
320.08780	1.2
324.09085	2.0
333.06430	1.7
333.10065	1.2
337.09418	7.6
338.10214	1.5
342.10107	2.1
343.08087	1.6
343.12363	3.9
343.22208	1.7
361.09476	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	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01868	0.3
57.03420	0.2
59.09678	0.1
59.76769	0.2
61.02917	1.3
65.03935	4.0
66.46033	0.2
67.05500	1.8
68.66820	0.2
69.03424	4.8
69.07046	0.4
70.06586	0.3
70.57601	0.2
79.05471	0.5
81.03389	0.3
82.04185	1.6
84.00558	0.2
85.02899	3.3
93.03402	1.3
95.04957	1.1
97.02892	0.6
97.06519	1.5
99.04462	0.2
105.04530	0.3
108.02084	1.0
109.02834	0.4
110.03645	2.0
111.04431	0.8
121.02820	0.2
121.03888	0.2
123.00786	0.5
123.04408	0.5
125.05981	1.2
127.03920	2.3
133.10097	0.5
134.10484	0.2
137.02290	0.2
138.03098	1.0
140.04680	1.8
142.02608	0.8
153.05443	3.7
155.07022	1.0
164.69086	0.2
167.03374	0.3
171.06517	4.9
172.06915	0.2
174.41664	0.2
177.05440	0.4
181.04938	100.0
182.05295	2.7
189.05463	0.2
199.06064	1.5
207.06441	0.2
219.06358	0.2
223.05923	0.2
235.05995	0.5
237.07405	0.3
265.07043	0.5
325.09134	0.4
342.24249	0.2
343.10150	1.9
343.19247	0.2
343.24136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.84570	0.2
53.03949	0.6
55.01871	2.2
57.03433	1.2
65.03942	5.9
67.05212	0.3
67.05505	3.6
68.12220	0.2
69.03422	1.4
69.07060	0.5
70.06590	0.5
70.81734	0.4
73.02911	0.9
77.03959	0.3
79.05502	2.0
81.03419	0.7
81.07047	1.9
82.04205	2.1
83.01350	0.3
85.02908	3.8
93.03413	1.5
93.07049	0.4
95.04972	2.3
95.08599	4.7
97.02899	2.6
97.06536	1.8
99.04452	0.8
100.11266	0.4
105.04494	0.7
105.07031	2.3
108.02069	1.5
109.02914	0.3
110.03661	2.8
111.04460	1.5
115.29109	0.2
118.08757	0.3
121.03980	0.2
123.00800	0.7
123.04399	0.7
123.07253	0.5
123.08072	5.3
124.08323	0.3
125.02370	0.3
125.05978	1.8
127.03904	0.3
132.44183	0.2
133.06503	0.5
137.02354	0.4
138.03098	1.5
139.03914	0.3
140.04662	4.4
141.05457	0.6
141.68498	0.2
142.02612	0.7
142.21408	0.3
145.04906	0.3
147.27328	0.2
151.03914	18.3
151.05011	1.9
151.07507	2.1
152.04242	0.6
153.05479	3.2
155.07037	1.0
171.06535	7.0
181.04950	100.0
182.05280	2.8
199.06013	1.0
297.09732	0.5
343.06384	0.4
343.10117	0.9
343.13583	0.6
343.19839	0.6
343.30719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1022
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03743	0.3
53.03946	3.7
55.01846	0.8
55.05507	0.4
57.03423	1.5
65.03940	6.4
67.05498	3.0
69.03424	7.4
69.78777	1.2
71.04971	1.1
73.02908	0.8
77.03917	0.6
79.05450	0.7
81.03411	20.5
81.07031	0.9
82.03777	0.3
82.04184	2.3
85.02895	10.4
86.09677	0.5
91.16730	0.3
92.73264	0.4
93.03394	1.8
95.04957	4.0
95.08578	0.6
97.02888	2.3
97.06509	2.0
99.04453	2.1
101.02351	0.4
105.04471	0.5
108.02074	0.9
109.02867	7.7
109.10159	0.3
110.03672	2.7
111.04417	1.5
121.02811	0.3
123.00829	0.5
123.04429	1.9
123.11676	0.7
125.02319	1.5
125.05972	1.9
127.03892	2.2
138.03108	1.5
140.04671	13.9
142.02615	0.9
153.05438	5.1
155.07024	5.2
171.06520	4.9
181.04936	100.0
182.05261	3.0
198.05197	0.4
199.05986	4.9
283.08014	0.6
322.14978	0.3
325.09149	14.9
326.09442	0.5
343.10168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55966	0.2
52.85745	0.2
53.03943	2.9
55.01861	0.8
55.05504	0.5
57.03421	1.2
61.02920	0.3
65.03936	5.6
67.05497	2.9
69.03067	0.5
69.03423	7.6
69.07037	0.4
70.06588	2.3
71.04976	1.1
72.08144	0.8
73.02908	0.3
77.03918	0.5
79.05479	1.0
81.03413	14.6
81.07056	2.1
82.03745	0.4
82.04184	2.2
83.05026	0.4
85.02406	0.5
85.02901	8.6
86.09679	0.9
90.82240	0.3
91.05474	0.4
93.03391	1.4
95.04958	3.7
95.08604	1.8
97.02887	2.3
97.06527	1.5
99.04439	2.1
105.04478	0.7
107.08561	1.2
108.01407	0.3
108.02100	1.0
109.02875	5.6
109.10139	0.4
110.03659	2.9
111.04426	1.0
114.10297	0.3
123.00784	0.5
123.04425	2.5
123.11685	2.1
125.02341	1.2
125.05972	1.4
127.03926	2.0
133.45325	0.3
135.08022	0.7
137.02299	0.3
137.05962	0.4
138.03116	1.7
140.04672	12.4
141.05031	0.4
142.02596	0.9
151.11185	0.4
153.05457	4.6
155.07021	4.6
163.07506	1.5
171.06516	5.3
173.08064	0.4
181.04941	100.0
182.05281	3.4
184.03558	0.5
199.05994	4.4
215.24599	0.2
229.15439	0.6
233.06073	0.3
237.79962	0.3
283.08252	0.5
307.09579	0.4
325.09100	10.9
326.09360	0.5
343.10364	1.2
343.17105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
50.75499	0.5
53.03939	0.6
60.11895	0.5
64.61573	0.4
65.03941	4.3
67.05505	2.5
69.03062	0.8
69.03426	12.3
70.93740	0.7
79.05493	0.5
80.00178	0.5
81.03445	0.5
81.07047	1.6
82.04192	2.0
85.02911	3.7
93.03390	0.9
95.04947	0.9
97.02918	0.9
97.06530	1.7
99.04482	0.7
108.02063	0.7
110.03667	2.0
111.04460	0.8
123.11728	1.1
125.05920	1.1
127.03922	4.7
137.05928	0.5
138.03181	1.2
139.02583	0.5
140.04674	1.4
152.91092	0.4
153.05461	6.3
155.07079	0.6
156.34857	0.6
171.06509	3.5
181.04944	100.0
182.05289	3.4
199.05922	0.9
207.06516	0.5
210.97670	0.5
219.06590	0.6
223.05972	0.7
249.89713	0.5
265.07040	1.8
293.40732	0.5
325.08932	0.9
328.24280	0.5
343.10510	0.8
350.73727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03945	2.5
55.01868	0.9
55.05509	0.3
57.03421	1.2
61.02909	0.5
65.03938	5.5
67.05502	2.6
68.84433	0.2
69.03066	0.4
69.03429	7.5
69.32976	1.2
70.06597	0.4
71.04978	1.2
73.02913	0.4
77.03924	0.5
79.05489	0.6
81.03413	18.2
81.07052	0.5
82.03768	0.3
82.04194	1.9
85.02902	8.7
85.03412	0.5
91.05466	0.3
93.03407	1.5
95.01347	0.3
95.04417	0.3
95.04969	4.1
97.02894	2.1
97.06532	2.1
98.22765	0.6
99.04430	1.7
105.04478	0.5
108.02110	0.9
109.02184	0.4
109.02876	6.0
110.03679	2.6
111.04467	1.1
114.10278	0.4
116.01603	0.3
123.00816	0.5
123.04427	1.8
125.02338	0.7
125.05987	1.7
127.03902	2.4
133.02901	0.3
137.02356	0.3
137.05893	0.5
138.03137	1.8
140.04675	12.4
142.02589	0.9
144.01146	0.3
145.04968	0.3
149.02376	0.5
153.05450	3.9
155.07024	3.8
163.07521	0.3
166.02666	0.3
171.06514	4.9
173.08012	0.4
181.04944	100.0
182.05273	2.8
193.05000	0.3
194.06979	0.2
199.06009	2.9
237.07375	0.4
283.08130	0.4
307.09506	0.4
325.09103	12.6
326.09778	0.4
343.10110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
55.01853	0.3
55.30714	0.2
56.98361	0.2
57.03403	0.3
60.37384	0.2
60.58200	0.2
61.02914	0.4
65.03936	5.1
67.05502	1.8
69.03423	10.2
69.03805	0.5
70.50680	0.6
72.08125	0.2
73.10995	0.2
74.86851	0.2
77.03922	0.4
79.05486	0.2
81.03404	1.0
82.04191	1.4
83.04991	0.2
85.02900	3.3
91.05490	0.3
93.03400	1.4
95.04954	1.1
97.02895	1.2
97.06519	1.3
99.04461	0.6
108.02100	0.8
109.02859	0.8
110.03661	2.5
111.04411	0.9
115.05420	0.4
117.06978	0.2
123.00751	0.3
123.04405	0.3
125.05977	1.7
127.03017	0.4
127.03905	4.8
137.05956	0.7
138.03151	1.6
140.04672	1.6
142.02600	0.6
145.06502	0.2
147.97388	0.2
153.05453	4.9
155.07040	0.6
161.91437	0.2
163.03838	0.2
167.07138	0.2
171.06516	4.2
173.06032	0.3
175.63527	0.2
177.05475	0.6
177.06914	0.3
181.04938	100.0
182.05275	2.8
188.51198	0.2
199.05957	1.0
201.05309	0.3
205.06583	0.5
207.06541	0.7
218.30281	0.2
219.06444	0.3
222.06932	0.4
223.06003	0.7
233.06104	0.4
235.06017	0.7
237.07256	0.3
250.06210	0.4
261.07596	0.3
265.07056	1.0
292.07361	0.3
293.07941	0.9
297.11124	0.2
307.09555	0.8
325.09039	1.1
343.10184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.69159	1.2
65.03931	5.7
66.02537	1.5
67.05508	2.9
69.03433	4.4
69.49019	6.7
70.06589	1.8
80.06956	1.5
81.03420	2.8
85.02893	7.2
95.04963	3.3
97.02863	2.9
107.08594	2.3
110.03668	2.9
112.44999	1.3
114.19310	1.8
123.04454	11.7
127.03891	2.2
131.77354	1.2
135.04387	2.5
135.08069	4.7
140.04694	2.9
145.02908	2.6
153.05498	4.8
163.03909	15.2
171.06535	4.9
181.04945	100.0
181.08392	7.3
182.05284	3.6
199.05896	1.6
334.18317	1.7
343.13879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87590	0.4
53.03935	0.9
55.01869	0.5
57.03415	0.8
57.15857	0.4
57.33647	0.3
61.02925	0.5
65.03934	4.8
67.05502	2.3
69.03072	0.8
69.03423	11.4
69.28581	2.1
71.04975	0.5
77.60870	0.4
79.05479	0.8
81.02971	0.5
81.03413	7.3
81.07045	0.7
82.04185	1.5
85.02896	6.4
87.55533	0.4
91.05479	0.4
93.03390	1.7
95.04971	2.5
97.02871	1.0
97.06516	1.5
99.04437	1.3
108.02090	1.0
109.02857	3.5
110.03663	3.2
111.04430	1.2
111.33551	0.4
123.00787	0.4
123.04415	0.9
125.02364	0.8
125.05971	1.5
125.48412	0.4
127.03923	3.9
138.03087	1.3
140.04681	4.9
142.02567	0.8
153.05443	4.3
155.06995	2.4
163.07472	0.7
171.06532	4.0
181.04936	100.0
182.05287	2.9
187.47499	0.4
199.06049	3.0
223.05975	0.7
233.94247	0.4
235.06003	0.5
248.85051	0.5
265.06995	0.6
278.05316	0.4
325.09131	6.5
343.10275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55504	0.3
52.35377	0.3
53.03939	1.2
55.01870	0.9
57.03425	1.0
61.02913	0.4
65.03938	6.1
67.05502	2.5
69.03426	3.5
70.06589	1.5
70.70500	0.6
71.04962	0.3
73.02891	0.6
74.17977	0.3
77.03909	0.4
79.05489	0.8
81.03413	4.4
82.04201	2.2
85.02898	7.3
86.09700	0.6
89.03944	0.4
91.05468	0.8
93.03381	1.4
95.04958	2.8
97.02872	2.1
97.06522	1.8
99.04440	1.3
103.07587	1.0
105.04529	0.5
108.02103	1.1
109.02909	1.4
110.03649	2.7
110.32652	0.3
111.04427	1.1
117.09148	0.3
119.04922	1.8
123.00747	0.6
123.04433	2.7
125.02334	0.5
125.06004	1.8
127.03907	1.4
129.01900	0.3
135.04353	0.4
138.03087	1.4
140.04669	5.1
142.02623	0.8
145.02824	0.5
145.04930	0.6
147.04398	10.8
153.05461	5.1
155.07008	1.7
163.03923	2.0
165.05476	4.8
171.06509	4.6
173.74254	0.3
181.04942	100.0
182.05270	2.9
199.06012	1.9
200.14026	0.4
325.09186	2.6
343.10150	1.7
343.13818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01866	1.5
57.03425	1.2
65.03941	5.5
67.05502	2.3
69.03434	3.7
69.67403	1.3
70.06588	2.9
71.04961	0.3
72.08154	0.5
73.02929	0.8
79.05494	0.7
81.03416	2.1
81.07077	0.4
82.04189	1.9
85.02907	6.6
86.03241	0.4
86.09689	1.9
88.32867	0.4
89.03893	0.6
91.05481	0.5
93.03394	1.6
95.04960	2.9
97.02888	3.2
97.06529	1.3
99.04446	0.5
99.32889	0.4
107.04977	0.4
108.02122	1.3
109.02915	0.9
110.03657	2.9
111.04422	1.4
112.46830	0.4
115.35645	0.4
116.07122	0.4
117.03358	0.6
119.04941	2.4
123.04417	3.6
125.02287	0.4
125.05967	1.5
127.03111	0.4
127.03893	2.0
135.04425	1.0
138.03128	1.7
140.04674	5.3
142.02626	0.8
145.02856	0.7
145.04936	0.6
147.04402	11.8
151.03883	0.8
153.05467	3.4
155.07007	1.4
155.08130	0.5
163.03894	6.4
163.05940	0.4
165.05498	4.9
171.06506	5.1
180.08868	0.4
181.04951	100.0
182.05295	2.5
199.06024	1.0
200.13972	0.7
222.54800	0.4
304.95120	0.4
325.09164	1.0
343.10007	1.0
343.13602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
53.03939	1.1
55.01892	1.8
57.03423	2.2
61.02921	1.8
63.86421	1.0
64.63555	1.1
65.03944	2.7
67.05508	5.8
69.03432	12.7
70.06574	1.7
71.05000	1.1
73.02940	1.7
78.14623	1.0
79.05488	9.8
81.03408	5.2
81.07066	3.1
85.02904	16.3
91.05457	13.1
93.07028	6.3
95.04961	27.3
95.08607	2.4
97.02895	4.4
97.06538	3.0
99.04446	1.9
105.07042	6.0
107.04981	1.7
107.08595	23.2
109.02895	2.6
109.06494	5.8
109.10154	4.8
111.08069	2.3
115.05404	1.9
117.07005	7.0
119.06107	1.5
119.08582	15.2
121.06515	3.4
122.07237	1.4
123.04440	6.4
123.08069	2.6
124.05164	0.9
127.03914	4.5
127.85857	1.1
135.08043	52.5
136.08359	1.1
137.06006	3.8
137.09628	7.8
139.07536	4.7
145.04999	1.5
145.06496	1.8
147.08026	8.2
151.03903	23.5
151.05003	1.7
151.07597	1.2
153.09096	1.6
163.03920	1.4
163.07550	21.6
164.97430	1.1
165.05411	1.5
165.09111	21.8
166.09290	1.0
173.09624	1.1
181.05034	16.3
181.08585	100.0
182.08925	3.8
183.06572	1.6
200.46109	1.1
303.09616	1.0
343.13818	18.6
364.70602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18215	0.3
66.29224	0.3
67.43472	0.3
86.73160	0.3
88.00373	0.3
98.22540	0.6
130.07776	0.4
141.32732	0.3
191.94724	0.3
198.86331	0.4
222.04752	0.3
223.09988	0.5
226.08583	1.7
235.09949	0.5
249.74509	0.3
251.43683	0.3
252.10281	0.4
254.06303	1.0
282.09518	1.5
343.17252	100.0
344.09528	3.4
344.17590	3.8
351.85092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	3.8
55.01870	5.3
55.05256	1.7
55.05508	20.5
55.74061	1.0
57.03436	9.2
57.07074	11.1
59.04993	5.5
65.03932	3.3
67.05158	2.3
67.05502	30.2
69.03419	12.0
69.07060	7.0
69.53049	3.2
69.53465	2.0
70.06590	65.8
71.04993	21.7
72.08168	1.3
77.03923	1.8
79.05490	28.5
81.03416	3.9
81.06564	1.5
81.07053	32.1
83.04993	6.3
83.08627	3.2
83.98172	0.9
84.08128	1.4
85.06531	6.5
87.04466	4.0
91.05478	36.4
92.05827	1.1
93.07041	78.9
94.07355	1.4
95.04967	70.6
95.08602	87.9
96.05296	1.2
96.08935	2.2
97.05967	1.7
97.06532	20.0
98.23406	1.8
99.28478	1.2
103.05462	3.2
105.04502	3.5
105.07026	87.7
106.07314	1.8
107.04948	4.6
107.08589	57.9
108.08941	2.0
109.06519	21.2
109.10174	6.2
109.93500	1.4
111.08088	2.2
115.05450	6.2
117.06178	1.8
117.07011	36.7
119.06093	2.0
119.08581	32.7
121.06501	17.8
121.10151	20.4
122.07292	2.6
123.08068	34.2
123.11681	1.4
124.67569	1.4
125.06032	2.7
125.09648	2.1
128.06250	4.6
129.06982	7.0
130.07785	19.1
131.08563	12.0
133.06494	7.0
133.10129	18.7
135.08055	28.8
135.09073	2.0
135.11694	19.2
136.05844	1.3
137.05952	4.1
137.09633	4.8
138.12775	3.1
142.07782	3.3
143.08542	13.8
144.09291	1.6
145.06465	2.7
145.10118	100.0
146.10466	2.8
147.08040	15.7
147.11681	6.0
149.09610	6.5
151.07535	55.6
152.07907	1.8
153.05588	1.2
153.09126	3.5
155.08534	3.9
156.09361	3.8
157.10086	9.7
159.08069	4.1
159.11711	10.9
161.09604	9.0
161.13277	4.4
163.11176	67.3
164.08267	1.4
164.11557	1.1
165.09109	20.9
167.08533	1.9
169.10175	6.2
170.10855	2.0
171.08131	1.7
171.11679	6.7
173.09639	6.2
173.13281	6.0
175.11176	7.4
177.09113	7.7
179.07030	5.2
179.08470	2.0
179.10674	1.8
181.10069	2.4
181.12267	2.4
182.10837	1.7
183.11688	4.2
185.09599	1.5
185.13206	2.7
187.11159	5.8
187.14859	1.2
189.09081	2.3
189.12697	11.2
191.10649	2.4
191.14293	4.1
192.09294	1.1
194.11102	1.8
195.11742	2.3
197.11713	1.3
197.13287	4.7
199.11229	1.5
199.14769	1.8
201.09315	1.2
201.12692	2.3
203.10742	1.1
203.14301	10.7
207.10103	2.6
207.13751	7.6
209.13217	3.3
209.15422	4.5
211.14919	1.3
213.16486	1.4
215.14301	4.7
217.12239	4.2
221.13197	2.6
221.15344	34.1
223.14857	2.3
225.12766	2.0
225.16336	2.6
227.14372	2.8
233.13359	1.2
233.15254	5.2
237.14757	1.4
240.23236	3.5
241.15846	1.9
243.13722	1.3
245.15486	1.5
249.16302	1.2
257.15402	1.3
259.16681	1.6
263.16360	7.3
269.15363	2.4
271.16809	1.4
274.19269	2.5
282.08890	1.8
283.20578	2.7
284.29413	2.7
286.19171	6.5
287.16498	3.6
287.20029	2.2
307.20560	2.9
313.07028	3.0
325.21606	10.2
326.22055	1.3
343.11520	5.8
343.22668	87.4
344.22913	3.9
344.26633	1.5
344.31586	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02369	1.2
53.03938	2.7
55.01872	8.8
55.05504	20.1
55.88095	1.1
57.03433	9.4
57.07070	12.1
59.04997	6.9
65.03918	2.4
66.93921	1.1
67.05161	1.8
67.05503	31.6
69.03428	13.3
69.07066	7.8
69.66887	4.8
70.06568	5.8
71.04992	22.3
72.06430	1.0
77.03915	1.6
79.05492	28.5
81.03403	4.3
81.07055	37.7
82.07427	1.2
83.04996	7.4
83.08584	2.2
84.48458	1.1
85.06515	3.2
87.10190	1.1
91.04601	1.2
91.05470	42.8
93.07042	80.1
94.07364	1.4
95.04965	68.4
95.08601	100.0
96.05259	1.3
96.08947	2.3
97.06532	19.1
97.07126	2.2
98.23386	2.0
103.05470	2.8
105.04520	2.8
105.07026	92.7
106.07354	2.5
107.04925	4.8
107.08586	61.1
108.05732	1.2
109.06513	21.1
109.10147	6.2
111.04491	1.7
111.08055	1.9
115.05459	7.6
115.07572	1.5
117.07011	32.2
119.04917	2.0
119.06054	1.3
119.08575	32.5
121.06494	18.2
121.10141	18.5
122.07273	3.3
123.08060	33.5
123.11699	2.0
125.05984	3.0
125.09605	1.7
128.06207	5.6
129.06998	8.6
130.07787	17.6
131.08562	10.7
133.06541	7.5
133.10129	18.6
135.08041	29.0
135.11693	17.6
137.05975	3.4
137.09625	6.7
141.06992	2.8
142.07765	3.8
143.08562	14.6
145.06429	3.5
145.10114	94.3
146.07300	1.4
146.10471	3.4
147.08031	17.9
147.11682	8.3
148.08786	1.5
149.09575	5.9
149.13316	1.2
151.07538	60.0
151.11160	1.5
152.07759	1.4
153.09010	3.2
154.99043	1.3
155.08586	3.0
156.09358	4.0
157.10114	11.0
158.07285	1.3
159.08014	4.1
159.11710	11.1
160.12257	1.1
161.09605	10.5
161.13223	5.6
163.07495	2.2
163.11172	69.7
164.11496	3.1
165.09122	18.7
167.08565	2.1
169.10117	5.7
170.10890	2.1
171.08035	1.5
171.11707	9.1
173.09641	4.3
173.13211	5.6
175.11179	5.2
175.14830	1.3
177.09120	7.6
177.12746	1.4
179.07008	3.3
179.08495	1.2
179.10670	1.5
181.10094	2.7
181.12204	3.5
182.10973	1.4
183.11685	4.6
185.09584	2.9
185.13226	3.8
187.11185	5.2
187.14787	2.1
189.09221	1.5
189.12752	13.1
191.10701	2.5
191.14299	3.4
193.10159	1.8
194.10764	2.2
195.11679	3.5
197.11702	1.5
197.13277	3.3
199.11139	2.2
199.14819	2.8
201.12776	4.4
203.14294	10.6
207.10150	3.4
207.11890	2.1
207.13783	6.8
207.15562	1.5
209.13260	3.1
209.15385	4.1
213.12692	2.7
213.16344	2.0
215.14296	5.2
217.12241	2.4
221.13358	2.0
221.15337	33.6
223.14856	1.6
225.12779	2.4
225.16295	2.5
227.14235	3.3
233.15376	4.0
240.23050	1.3
241.15924	3.3
243.13780	1.5
245.15384	1.9
255.21060	3.1
256.26450	1.4
259.16974	1.7
263.16367	8.3
265.19556	1.9
269.15442	6.5
269.18268	1.4
274.19238	1.7
283.20490	2.9
286.19247	3.2
287.16473	4.3
287.19949	3.3
307.20575	3.0
313.07132	3.1
325.21570	15.3
343.11777	4.7
343.22656	96.6
344.23047	6.7
344.31564	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.62050	3.1
52.70835	2.7
53.03936	4.9
55.01859	6.7
55.05507	19.2
57.03439	12.8
57.07064	9.2
59.04995	8.6
60.04499	2.8
64.95089	2.5
67.05499	27.1
69.03426	13.9
69.07059	5.0
70.06580	6.8
71.04980	23.8
79.05490	24.7
79.21262	2.5
81.03423	4.9
81.07049	36.0
83.04965	8.2
91.05473	35.6
93.07036	83.2
94.07340	2.8
95.04960	61.6
95.08600	87.6
96.08932	5.1
97.06528	18.2
103.05483	3.8
105.04518	3.4
105.07021	85.9
107.04945	3.9
107.08581	58.5
109.06516	19.1
109.10120	5.5
114.10294	3.0
115.05446	8.9
116.06261	3.5
117.07016	29.1
119.08578	31.1
121.06499	17.0
121.10125	19.4
123.08057	35.1
128.06223	5.8
129.07033	6.8
130.07774	20.4
131.08549	10.8
133.06480	9.6
133.10098	16.3
135.08014	29.5
135.11699	16.9
137.05934	3.6
137.09595	3.3
137.94025	2.7
141.07001	4.1
142.07773	3.6
143.08553	13.3
145.10109	100.0
146.10431	4.3
147.08032	17.7
149.09645	9.1
151.07512	63.3
153.09018	3.6
155.08501	4.1
156.09370	3.8
157.10127	11.0
159.08163	3.3
159.11674	8.9
161.09552	13.5
161.13228	4.5
163.11171	66.7
163.12459	5.2
164.11571	3.0
165.09116	21.0
169.10162	3.2
171.11681	7.2
173.09586	5.0
173.13206	4.5
175.11192	7.8
177.09120	4.9
179.06966	6.2
179.08505	3.3
181.10081	3.6
183.11723	4.2
185.09694	3.9
187.11174	7.6
189.12756	14.8
191.14276	4.0
195.11717	3.8
203.14273	11.9
207.13812	5.7
209.13277	4.0
213.16359	3.4
215.14415	3.1
221.15298	31.3
225.12669	3.5
229.15807	2.9
233.15289	4.4
240.23268	6.0
255.28947	2.8
263.16470	5.4
269.15259	4.9
271.17078	2.6
286.19263	8.4
299.09201	3.5
323.34055	3.4
325.21503	13.3
343.11594	7.2
343.18497	5.7
343.22610	87.1
344.22998	7.3
347.20053	2.8
367.98584	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.54668	3.0
55.05507	20.0
57.03427	11.8
57.07068	9.2
59.05000	6.1
60.25968	2.7
65.03945	4.4
67.05505	24.8
69.03416	12.5
69.07063	5.5
70.06596	22.0
71.05000	22.2
72.08130	5.0
79.05506	20.1
79.05891	3.0
81.07053	26.2
81.16641	3.3
83.03493	3.1
83.04957	6.0
85.06564	5.4
88.07620	3.7
91.05473	32.8
92.19967	3.1
93.07044	74.7
94.40511	3.4
95.04971	58.0
95.08607	84.1
97.06526	16.2
105.07033	80.7
107.04926	4.7
107.08596	55.6
109.06529	17.5
109.10147	8.1
111.08045	4.1
115.05460	6.3
117.07024	35.1
117.80331	3.2
119.04924	3.6
119.08580	29.7
121.06503	14.8
121.10155	19.2
123.08079	32.9
127.07557	4.0
128.06172	3.7
129.07018	5.6
130.07768	12.4
131.08545	12.5
133.06494	8.4
133.10136	19.2
135.08064	27.2
135.11693	19.9
137.06004	4.1
137.09595	7.3
142.07809	4.4
143.08545	12.9
145.06416	5.3
145.10135	90.1
147.08119	18.2
147.09181	2.9
147.11655	5.5
149.09622	9.0
151.07529	47.8
155.08607	4.1
157.10129	10.7
159.11711	14.8
161.09630	13.2
161.13173	4.1
163.11182	88.0
165.09097	19.5
169.10095	4.7
171.11685	7.3
173.09616	6.7
173.13312	7.6
175.11154	6.2
177.09021	5.6
179.07057	6.2
185.13365	5.5
187.11110	4.6
189.09111	4.1
189.12732	7.7
191.10916	3.1
195.11844	3.8
197.13264	4.7
201.12758	4.4
203.14322	13.8
207.13792	5.8
209.15372	4.7
212.29353	3.3
215.14302	5.5
221.15358	42.8
222.04805	4.6
223.14568	3.3
240.23241	9.9
263.16388	10.0
269.15298	6.2
282.08850	5.0
282.27786	5.5
285.07785	3.8
286.19183	9.3
299.09100	4.9
313.06973	9.8
325.21619	11.8
343.11557	23.3
343.18442	5.2
343.22656	100.0
343.26126	6.8
343.33920	6.3
344.22617	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	344.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
56.11574	0.2
58.99569	0.4
73.02906	3.8
74.99049	1.1
75.02689	0.4
77.00636	1.9
86.18794	0.2
98.23456	0.9
100.11245	1.3
102.98518	0.8
119.01635	4.2
135.04382	0.9
138.03659	0.4
170.09642	0.7
173.81555	0.3
177.05444	0.6
178.76248	0.2
181.08838	0.4
182.09645	0.5
183.06818	0.3
185.13776	0.3
194.09651	0.5
196.07567	0.5
197.08363	0.7
198.09142	0.9
204.69038	0.3
209.08290	0.5
210.05820	0.5
210.09109	3.2
211.04553	0.5
211.09898	2.1
212.10439	0.4
220.07600	0.9
221.08319	3.4
222.09131	0.8
223.09903	16.7
224.10663	6.1
225.07780	2.0
225.11128	0.4
226.08609	66.9
227.09016	3.9
234.09091	2.6
235.09901	16.7
236.10674	12.6
237.11133	0.9
238.08629	1.9
239.03979	19.6
239.09164	1.8
240.04427	0.9
240.10120	1.5
241.05598	0.3
248.10725	7.3
249.11458	7.4
250.11929	0.4
252.04532	0.5
252.10179	17.1
253.05521	0.9
253.10811	1.3
254.06331	44.2
255.06659	2.1
267.07104	2.3
272.07355	2.4
280.07901	0.4
282.09448	52.7
283.09735	3.2
298.08813	1.6
308.07385	0.3
326.08395	2.6
327.08594	0.3
343.30759	0.5
344.09482	100.0
345.09805	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	344.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.04720	0.2
61.01111	0.3
71.01340	0.5
73.01111	0.8
73.02914	9.9
74.99062	2.9
75.02688	1.2
77.00626	4.3
77.50967	0.2
82.53493	0.2
91.02177	0.4
98.23504	0.6
119.01635	13.5
128.71422	0.2
129.07045	0.2
135.04430	0.4
139.80865	0.2
143.08487	0.2
155.07275	0.3
161.58615	0.2
170.09634	0.9
183.06763	0.5
197.08276	0.4
198.09145	1.2
209.08284	0.3
210.09120	0.8
211.06071	0.3
211.09818	0.7
221.08475	0.2
222.08992	0.2
223.09853	1.0
224.10707	2.4
225.07808	2.0
226.08604	100.0
227.09045	5.7
235.09966	0.6
236.10661	0.5
238.08620	1.9
239.03999	1.0
239.09384	2.5
240.04688	0.2
240.10175	2.1
252.10184	35.5
253.10568	2.5
254.06380	2.4
257.04865	0.3
272.07324	2.8
282.09488	1.1
297.09854	0.4
298.08963	3.5
326.08347	0.4
344.09488	75.3
345.09811	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
57.03425	1.8
57.58661	0.6
61.02910	1.5
65.03936	1.2
69.03420	3.8
69.44372	2.9
70.06585	1.9
72.08151	1.0
73.02914	1.3
81.03410	2.7
85.02402	1.2
85.02898	16.3
86.09150	0.6
86.09673	1.2
91.05481	4.4
97.02897	4.3
97.06455	0.7
98.22613	0.6
98.97593	1.6
105.75794	0.7
109.02841	1.7
109.05212	0.6
116.98617	0.7
119.04939	18.2
123.04430	3.2
127.03922	3.0
140.04637	0.8
145.04964	3.3
147.04398	100.0
148.04747	3.1
162.66696	0.7
165.05469	45.2
166.05830	1.5
180.08665	1.1
181.03491	0.9
181.04951	11.3
182.05298	11.0
190.56866	0.7
219.45938	0.7
326.09595	0.8
345.15143	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48659	0.8
57.03427	1.9
61.02915	1.7
65.03931	2.8
67.05500	1.1
69.03414	4.5
69.49706	3.6
70.06602	2.3
71.04980	1.8
72.08154	3.4
81.03429	2.1
82.04171	1.1
84.02419	0.9
85.02896	18.5
86.07172	1.8
86.09698	2.8
89.06039	1.0
91.05464	5.8
95.04961	1.4
97.02866	5.8
97.07641	1.6
99.04462	1.2
108.37659	0.9
109.02857	1.0
110.03645	1.0
114.10307	3.3
119.04934	19.9
123.04424	2.4
127.03928	3.0
138.07904	0.8
139.85451	0.8
140.04649	1.8
141.05014	1.5
145.04976	4.0
147.04393	100.0
148.04755	2.9
153.05423	1.4
154.05836	1.7
165.05464	54.4
166.05798	1.8
171.06616	1.4
172.06801	2.0
179.81891	0.9
180.08696	1.0
181.03615	0.7
181.04935	27.7
182.05283	34.3
183.05461	1.5
249.07712	0.9
251.63071	0.8
344.13947	1.5
345.15244	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	21.2
57.03424	10.6
62.90919	5.3
67.05501	30.0
69.03403	9.1
69.07067	41.1
69.43401	29.3
70.06576	8.2
71.04974	16.1
72.08144	16.4
73.02887	5.2
79.05090	5.0
79.05484	35.5
81.03403	25.8
81.07052	44.7
83.08616	7.3
86.06072	5.5
89.89905	6.0
91.05453	27.6
93.07027	35.8
95.04948	24.7
95.08600	22.4
97.06525	34.2
97.07623	12.2
97.10169	9.9
98.23372	12.9
104.99257	19.3
105.06997	17.3
107.04942	7.1
107.08569	18.7
109.06509	15.6
109.10141	16.9
111.04414	18.5
114.10284	16.9
115.07552	28.9
117.06973	6.5
119.08555	16.8
121.10146	14.2
123.08099	9.9
123.80471	5.4
131.08543	13.9
133.10120	9.6
135.08044	11.0
135.11658	13.5
137.09615	5.6
145.10110	12.0
145.29169	6.0
147.11644	10.2
149.09595	10.5
149.13326	5.7
157.10120	12.0
159.11650	10.8
173.09665	6.3
175.11154	9.3
177.12675	6.8
185.13268	8.3
195.13681	6.4
200.14333	20.3
203.14342	10.4
214.16028	14.3
217.15833	25.1
225.12207	5.7
262.98154	15.1
291.19324	6.3
314.07343	30.2
318.91898	7.0
344.11960	19.0
344.22452	13.1
344.25909	100.0
345.20560	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.46732	4.6
55.01855	5.5
55.05508	6.9
57.03434	16.7
65.26017	4.2
66.59617	4.8
67.05502	25.8
69.07051	25.5
71.04984	13.9
72.08155	9.6
74.48723	4.6
79.05492	29.6
81.03419	12.4
81.07072	23.1
91.05481	14.1
93.02370	4.8
93.07056	19.9
95.04970	18.6
95.08626	14.3
96.10107	4.4
97.06527	100.0
98.22705	14.0
99.08061	6.2
104.99281	10.5
105.07030	15.7
107.08580	12.8
109.06529	8.2
109.10155	5.4
115.07565	17.0
117.07018	8.3
121.06523	5.3
121.10155	8.1
125.09660	11.9
129.06995	8.4
131.08566	10.7
133.10147	7.0
135.11665	5.2
144.64297	4.6
145.10112	9.0
149.09674	4.9
154.43637	5.5
159.11711	7.8
160.08441	4.6
200.14363	16.6
214.15735	4.5
218.91925	4.4
233.78693	5.4
266.68771	5.4
273.18442	8.5
344.18951	13.9
344.25793	54.1
345.24234	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.8
57.03431	17.6
58.52228	4.1
67.05507	19.1
69.03427	4.2
69.07065	14.7
69.45919	19.8
71.05023	6.1
72.08147	7.9
79.05496	15.7
81.03413	7.4
81.07056	19.3
83.04937	4.6
83.08594	5.1
91.05479	10.3
93.07043	14.6
95.04948	10.6
95.08602	11.6
97.06518	42.2
97.07634	5.7
104.99255	11.6
105.07024	16.3
107.08591	13.6
109.06518	6.6
114.10287	5.2
115.07573	12.5
117.07009	11.7
119.08604	6.9
131.08553	12.0
132.11272	5.6
133.10147	9.5
145.10048	6.9
151.11232	6.0
157.10014	8.6
158.10486	5.9
159.11769	5.6
182.05269	4.1
182.10513	7.1
189.12553	6.4
196.12003	5.7
199.10983	4.7
200.14328	9.5
210.13634	8.9
211.11089	5.9
212.11705	4.8
214.09537	4.3
214.15935	13.5
215.14351	7.7
216.14645	16.4
225.12576	6.1
226.13124	8.7
227.10472	4.7
228.14653	11.0
238.13174	7.9
240.10977	6.3
256.14182	10.0
262.98172	5.4
270.15701	18.6
284.13544	12.0
286.15359	4.4
312.16702	10.3
326.18393	5.4
344.14398	7.0
344.19067	77.7
344.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78926	0.2
53.03961	0.3
55.05505	0.6
56.40343	0.2
57.93849	0.2
59.82938	0.2
65.85522	0.2
67.05505	0.9
68.05032	0.8
68.99809	0.3
69.03433	0.3
69.82449	0.4
69.82832	0.5
70.06590	100.0
71.06925	1.4
72.08162	0.5
79.05501	0.7
81.05785	0.3
81.07063	0.6
82.06583	0.6
83.07361	0.9
84.08121	0.4
86.51246	0.2
87.04474	1.2
88.07642	0.3
89.06020	0.3
91.05485	0.6
91.72288	0.2
93.07030	0.5
95.04963	0.6
95.08594	0.8
96.08141	1.4
96.08917	0.3
97.06514	0.3
97.07735	0.2
98.20303	0.2
102.09186	0.2
104.99278	1.1
105.07035	0.8
107.08588	0.9
108.08131	0.3
108.08925	0.3
109.06505	0.3
109.08912	0.5
110.09686	0.4
115.05462	0.6
117.07043	0.4
119.08597	0.7
120.08925	0.3
123.08081	0.3
125.09618	0.4
129.07048	0.2
133.10133	0.3
135.08026	0.4
138.12776	3.7
145.10143	0.6
146.10490	0.6
150.12819	0.5
151.07573	0.3
157.06512	0.4
160.39430	0.2
163.11206	0.3
164.11580	0.5
164.42838	0.2
171.04378	0.7
185.05992	0.3
197.06104	0.3
213.05434	3.9
222.15764	0.3
241.04939	5.9
259.05713	0.3
262.98108	0.6
344.22623	0.7
344.26340	1.8
344.31628	1.4
345.11194	0.9
345.24033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90043	0.5
56.96561	10.9
57.97367	0.5
60.08160	21.1
62.14526	0.6
62.49487	0.4
69.42553	1.8
71.95252	0.5
73.56672	0.5
86.09711	0.5
94.20889	0.4
98.23444	0.9
98.97575	100.0
99.97922	0.6
106.77974	0.5
108.35283	0.6
116.98613	61.3
117.98899	0.6
134.99644	24.2
137.05905	0.6
140.00174	1.0
153.00720	2.0
158.01283	0.8
181.04932	4.9
198.02118	0.8
216.03317	6.1
225.71986	0.5
234.04376	6.0
252.05415	0.6
258.04367	37.0
259.04773	1.1
260.05896	1.4
276.05402	21.3
277.05655	0.7
286.03836	31.7
287.04282	0.7
299.07123	0.7
304.04889	19.0
305.05447	0.8
327.06317	0.8
345.11252	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	345.116
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.01863	0.9
55.05511	4.9
67.05491	1.3
69.03434	1.1
69.07057	1.0
79.05493	2.5
79.76236	0.8
81.03412	0.8
81.07044	2.2
83.01346	0.8
83.08626	2.2
85.02872	1.0
86.09697	0.8
91.05486	4.5
93.07043	12.5
95.04951	1.8
97.02892	1.7
97.10178	4.3
103.05460	1.1
105.07029	1.5
107.04980	1.4
107.08587	1.6
109.10130	1.1
115.03655	0.7
121.06511	8.3
123.08038	1.1
125.09587	4.2
131.04927	0.8
137.05969	2.5
139.07530	1.1
149.05968	9.5
149.85147	0.9
151.03838	1.0
165.09158	2.4
167.07027	13.9
189.11182	4.4
190.34033	0.7
218.84772	1.0
227.05473	0.9
244.96379	0.8
259.11661	2.2
271.04364	2.5
299.11258	2.5
301.12555	15.5
345.11548	100.0
345.15237	14.1
346.11801	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61168	0.8
55.01868	1.2
55.05505	5.9
60.17501	0.7
64.13896	0.7
67.05499	2.6
69.03416	0.9
69.07047	1.1
71.09787	0.7
71.42856	0.9
71.68780	0.7
77.03910	1.0
79.04435	0.8
79.05493	2.9
81.03432	0.7
81.07034	2.2
83.04965	0.9
83.08601	1.7
90.54616	0.7
91.05481	5.0
93.07038	12.9
95.04951	2.7
95.08584	1.6
97.02863	1.4
97.10163	5.4
97.10731	0.7
105.04539	1.5
105.07008	1.4
107.04955	1.5
107.08591	1.5
108.62576	0.7
109.06556	0.9
109.10163	1.2
112.73427	0.7
121.06506	9.3
123.08043	1.5
125.09659	6.1
137.05946	3.8
137.09641	1.3
149.05960	12.6
149.07047	1.1
151.03891	1.1
153.04449	1.1
164.89711	0.7
165.09126	3.6
167.07025	16.3
189.11201	5.5
227.05226	1.8
241.10428	1.5
256.15469	0.9
259.11450	2.2
271.04251	1.7
283.11017	1.0
299.11246	2.5
301.12555	19.9
345.11548	100.0
345.15247	19.6
346.11929	6.3
346.15570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03940	3.7
55.01864	3.8
55.05508	4.1
64.17412	1.0
65.03930	1.3
67.05502	3.0
69.03436	3.6
69.76244	3.3
69.76568	1.3
77.03927	3.5
79.05493	8.3
81.03411	3.2
81.07059	2.5
83.01344	1.6
85.02850	1.2
91.04936	2.2
91.05479	28.1
93.07038	75.8
94.07386	1.8
95.04971	18.2
95.08614	2.5
96.70949	1.1
97.02887	6.6
97.06519	3.3
97.10172	2.2
100.20986	1.0
103.05480	3.3
105.04510	4.5
107.04955	6.5
109.06518	1.4
111.08020	1.8
121.06499	62.2
123.08044	1.1
125.09621	3.3
131.04939	2.9
137.05934	2.7
139.07542	4.5
149.05972	76.8
150.06291	3.2
151.03801	1.7
165.05557	1.3
167.07033	100.0
168.07338	3.4
174.05562	1.6
183.09084	2.2
189.11214	3.5
220.24870	1.1
327.55750	1.1
345.10925	1.7
345.14999	2.8
345.21628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
65.03926	0.6
67.05493	2.4
68.05018	0.7
69.03416	0.6
69.07064	4.1
69.57031	0.6
69.57423	0.7
70.26286	0.3
79.05508	0.7
80.05019	1.3
83.04981	0.4
86.09670	0.3
89.03929	1.5
93.05790	0.6
94.06558	10.7
95.04954	2.0
95.08628	0.6
96.04487	0.5
97.06532	0.5
98.06058	0.5
98.22676	0.3
108.08117	1.6
110.06036	2.6
112.07578	1.9
116.04961	6.8
118.06538	0.7
119.68112	0.3
122.06017	20.8
123.04422	1.1
123.06430	0.4
124.07589	0.4
132.04489	0.3
134.06026	0.6
136.07568	0.3
140.07050	29.4
141.07802	1.2
142.03189	0.5
144.04428	14.8
145.04764	0.4
146.05995	7.8
146.07162	0.4
148.07536	0.7
154.08603	0.5
162.05499	6.6
165.09001	0.4
172.03917	57.5
173.04253	1.8
174.05498	3.0
178.08621	1.0
181.04973	1.1
182.05313	0.8
183.05460	1.3
190.04906	1.5
192.06577	0.6
199.91533	0.3
204.06538	100.0
205.06943	3.8
206.08104	15.3
207.08400	0.9
290.59167	0.3
300.12164	1.2
313.11768	2.2
327.13300	1.1
331.12958	2.1
345.14386	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	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.49115	0.7
65.03934	0.9
67.05503	4.9
69.03411	1.5
69.07068	4.6
70.48531	0.8
72.08144	1.4
79.05476	2.0
81.03418	1.2
81.07037	1.2
86.09687	2.1
89.03928	1.4
91.05512	0.9
93.07104	0.8
94.06566	12.5
95.04958	2.2
95.08598	1.4
96.04462	1.2
97.02876	0.7
97.29922	0.9
99.62807	0.8
99.70489	0.7
108.08105	1.7
109.10152	5.3
110.06021	2.5
112.07585	1.5
114.10303	0.7
116.04977	9.1
122.06026	23.6
123.04447	2.0
134.05914	1.0
137.02310	1.9
137.05991	10.8
137.09578	2.3
140.07054	29.5
144.04439	18.6
146.05977	8.8
151.58740	0.7
155.10626	0.9
161.05988	0.8
162.05482	8.5
163.06076	1.3
165.09105	5.6
172.03926	63.0
173.04373	1.2
174.05505	3.8
181.04974	2.3
182.05389	1.2
183.05548	1.7
183.10175	1.7
187.14488	1.1
190.05003	1.9
204.06549	100.0
205.06934	4.2
206.08119	13.5
254.93852	0.9
257.64420	0.8
300.12271	1.3
302.04123	1.0
313.11774	2.2
316.05722	1.0
331.12970	2.6
345.06052	9.4
345.14374	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	345.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	14.9
55.05500	17.2
67.05502	20.3
69.03426	6.8
69.07066	18.7
69.62814	21.0
71.05004	8.5
76.08601	6.3
79.05490	11.9
81.07050	78.2
83.04972	11.5
85.06506	6.6
88.12774	6.0
91.05482	30.8
93.07033	14.7
95.08603	21.5
97.06501	9.5
97.90004	5.7
98.22797	12.7
99.00788	15.7
105.07005	37.4
106.76479	6.3
107.08606	14.5
109.02885	10.3
109.10191	9.7
111.04427	16.4
117.07002	5.8
119.08581	39.4
121.10117	22.2
123.08039	8.0
123.11708	23.6
126.32957	6.3
129.07103	7.2
133.10168	7.0
137.05975	8.0
143.08482	7.4
147.11673	100.0
163.74612	7.3
165.12726	80.8
198.10568	6.5
199.10957	6.4
217.12262	11.0
226.17108	6.2
237.86995	6.6
280.94751	7.1
327.14719	13.9
345.16946	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	345.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48027	1.0
55.01860	1.4
56.96553	2.4
57.03422	1.7
58.99845	1.1
60.05642	1.8
61.02925	4.8
63.62355	1.0
69.03423	8.1
69.07059	2.9
70.06594	8.6
70.58410	2.1
72.08159	5.9
73.02914	6.2
81.03410	1.7
81.04539	2.7
81.64449	1.1
82.99831	1.5
84.08162	5.3
85.02895	12.6
86.07198	1.4
86.09695	66.7
87.10024	1.8
91.03957	5.0
97.02891	7.4
97.06514	5.0
98.97587	1.6
99.04465	1.4
101.00887	12.1
102.00993	1.0
103.00608	1.2
109.02898	1.5
112.08710	2.6
113.00887	1.5
116.07085	1.1
118.03542	3.0
119.01911	31.2
120.02016	3.6
121.01673	1.8
122.07153	11.7
123.02885	1.5
126.03712	3.0
127.03877	5.6
129.10262	1.3
130.03548	1.6
131.01877	5.3
132.10194	2.1
137.02928	7.6
138.03378	2.5
142.07129	3.3
143.01883	5.3
143.11815	3.4
144.05019	2.0
144.08655	2.8
145.03549	1.7
145.04997	2.1
145.90346	1.0
153.03990	1.9
153.53941	1.8
154.07143	1.4
155.01846	7.0
155.05499	1.1
158.09143	1.1
160.08185	4.4
161.02957	2.9
162.04533	1.4
162.09779	2.3
167.01932	1.3
168.04185	1.0
168.08730	2.1
169.03281	1.2
172.08168	13.2
172.97554	1.1
173.02977	7.7
173.06531	2.6
173.08215	1.3
174.03105	1.2
174.04535	5.4
174.97775	1.3
175.11905	4.3
177.01018	1.8
177.05406	1.8
183.05042	5.8
185.02960	3.2
186.09747	26.0
187.09911	3.1
189.04706	1.2
190.09230	3.8
191.04025	1.3
191.07668	1.8
192.05516	1.5
196.08174	1.5
197.03078	1.3
197.06581	1.9
201.00922	1.9
202.06190	1.1
203.04033	2.8
204.10797	9.4
205.10976	1.6
208.10349	1.6
214.09227	41.3
214.95422	1.6
215.07561	1.8
215.09343	5.9
216.09203	1.4
218.98447	1.3
219.01994	4.0
224.01324	1.9
231.05811	1.4
232.10278	100.0
232.96423	2.6
233.05527	2.1
233.10468	15.1
234.06624	7.2
234.10176	1.6
234.56673	1.2
239.15952	1.4
240.14468	2.4
243.01971	5.4
245.04968	6.3
250.97359	1.5
255.01901	3.8
255.07118	1.3
255.11713	1.6
257.05161	1.7
257.17123	4.5
260.97037	1.1
260.99890	3.7
261.03058	4.0
264.07611	9.5
264.57758	1.8
267.15649	1.8
273.02942	2.0
275.18088	2.5
279.00797	1.3
280.67892	1.0
284.99811	2.9
285.16571	14.4
303.00687	5.2
303.08282	2.5
303.13437	7.4
303.17596	61.6
304.12729	1.5
304.17862	4.6
305.07156	1.7
321.18570	5.5
328.19626	1.4
345.01904	2.2
345.22260	12.6
346.05020	2.0
347.08282	1.9
350.40912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2401
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
63.09620	0.4
63.40023	0.4
69.98598	1.2
90.31147	0.4
104.99253	3.2
107.08563	0.4
108.93492	0.4
119.08591	0.5
208.66443	0.5
262.98206	1.8
303.20282	0.7
345.11331	1.8
345.24005	100.0
346.24307	6.1
357.07175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2402
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
55.05500	0.6
59.57750	0.2
67.05496	0.7
69.07045	0.3
70.06570	0.7
70.22165	0.3
71.42365	0.3
76.02238	0.3
79.05493	0.5
81.07047	1.7
83.97421	0.3
87.23618	0.3
91.05505	0.4
93.07047	0.6
95.08617	0.5
104.99270	3.4
105.07014	0.6
107.08585	0.6
109.10157	0.5
119.08566	0.7
121.10154	0.9
135.08069	0.4
145.10138	0.6
147.11690	0.3
149.13287	0.3
155.11130	0.3
159.11679	0.7
161.09566	0.6
165.65289	0.3
175.32681	0.3
185.13188	0.3
192.32361	0.3
203.14339	0.5
215.14233	0.4
262.98154	1.5
285.22232	0.6
310.41202	0.3
328.26703	0.3
345.23984	100.0
346.24289	6.1
346.28195	0.7
346.33087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32970	0.3
55.37156	0.3
62.51927	0.3
69.19886	0.5
69.20295	1.3
70.06585	0.5
72.08168	1.7
81.07072	0.4
84.08141	0.5
84.66360	0.3
85.02900	1.5
91.05520	0.3
98.98476	1.5
107.04955	0.8
120.58452	0.4
121.24081	0.4
124.99996	7.1
132.08072	0.9
133.08859	0.8
136.60313	0.3
137.05885	0.4
147.04445	0.4
148.11197	17.3
149.11531	0.4
158.09641	2.1
159.10408	2.2
167.06970	0.5
174.12772	45.8
175.13121	1.9
181.04866	0.3
182.05363	0.6
192.13814	100.0
193.14192	3.5
201.12532	0.4
269.03555	0.4
272.10431	10.6
273.10779	0.7
285.72949	0.4
346.14087	18.5
347.13065	3.0
347.16724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57541	2.0
51.26761	1.8
55.01860	2.9
57.03430	5.7
61.02927	11.0
69.03418	22.6
69.07053	2.1
69.49301	1.7
70.06575	6.0
70.60967	2.2
71.04993	2.7
72.08156	5.5
73.02900	5.7
81.03416	8.1
83.06107	2.8
85.02899	100.0
86.09708	22.4
87.04503	1.7
91.03951	4.9
93.04525	2.8
93.07029	3.3
97.02897	22.9
99.04456	4.4
103.03952	2.2
103.05479	4.2
107.04948	71.1
109.02887	8.0
110.07165	28.6
113.74137	1.8
120.08100	19.9
121.06450	3.2
121.10104	1.9
127.03899	19.2
145.04956	33.1
147.04437	2.1
149.05977	20.4
162.07600	2.0
163.06032	6.4
167.07037	8.9
173.05959	5.1
180.08640	11.4
184.09705	3.4
184.13335	2.6
199.18051	7.4
215.07065	7.2
227.17616	2.9
233.08112	5.3
257.07748	1.7
275.09174	2.3
280.93738	1.7
301.12601	4.7
346.15265	5.6
347.13040	4.5
347.16751	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02304	1.9
50.73511	2.0
53.03947	3.0
55.01872	5.9
57.03429	7.5
61.02914	9.2
69.03426	24.6
69.47545	10.5
70.06590	7.3
71.04977	2.8
72.08154	4.1
73.02897	4.7
74.62139	2.4
74.66691	2.2
75.04484	5.8
79.05470	3.4
81.03416	9.7
81.07051	3.1
84.08134	4.0
85.02902	100.0
85.03416	5.3
86.09702	6.6
87.04478	2.8
91.03942	5.9
91.05459	4.8
93.07037	30.3
95.05038	2.4
97.02893	25.1
98.22599	2.1
99.04417	2.7
105.07039	3.1
107.04951	73.6
109.02875	6.6
111.08064	5.0
116.07114	6.4
121.06475	2.4
121.10136	22.6
122.02759	2.2
127.03933	15.5
129.70255	2.2
144.06538	2.8
145.04976	29.5
149.05968	21.2
149.09584	2.8
162.07561	3.5
163.05994	3.5
167.07051	10.6
167.10655	4.9
173.05933	4.7
180.08702	12.5
184.09589	3.0
184.13300	14.4
207.10124	2.9
215.07051	5.4
233.08002	2.7
257.08057	2.7
275.09250	3.1
301.12421	3.3
346.15033	7.4
347.13052	4.8
347.16678	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19149	0.4
56.05038	3.0
56.96563	0.8
57.03425	0.6
58.06611	0.5
59.57668	0.4
61.02901	0.6
69.03422	1.6
69.07072	6.5
70.06590	2.1
71.42918	0.7
72.08169	1.7
73.68318	0.5
73.84645	0.4
74.05659	0.5
74.06081	10.6
79.05511	0.7
81.03420	0.7
81.07067	2.8
84.04505	0.6
84.08128	0.8
85.02892	4.3
86.09703	100.0
87.10051	2.4
88.34940	0.4
90.05508	0.6
91.05478	0.7
93.07047	2.5
95.08583	0.6
97.02895	1.7
98.06056	0.6
98.97600	0.8
99.04448	0.5
99.05576	0.5
105.06975	0.8
110.07152	2.5
116.07089	1.9
120.08120	1.6
121.06511	1.1
121.10136	6.1
124.07635	0.6
126.05516	3.8
131.08650	0.5
144.06584	1.3
145.02829	0.6
145.04942	1.1
147.04393	1.0
148.11421	0.4
149.09644	3.9
150.05467	0.7
165.05540	0.5
167.10703	1.0
181.04999	0.7
182.05199	0.6
185.11781	1.9
186.06187	0.5
190.08632	0.8
195.11327	0.8
199.18069	2.0
203.13911	8.3
211.14349	1.1
215.13898	0.7
227.17572	0.7
233.14935	0.5
239.13878	4.8
279.33109	0.6
292.26663	0.4
328.18808	0.6
346.03870	1.2
346.15677	2.3
346.22391	1.0
346.92694	0.5
347.12997	1.1
347.16696	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.8
57.03419	3.7
65.03914	4.5
67.05502	56.4
69.03410	6.3
69.07055	15.4
69.88461	10.6
69.88806	3.2
79.05484	22.9
81.06635	3.0
81.07049	18.9
83.04984	4.2
83.08619	10.3
91.05467	14.0
93.07035	17.5
95.04948	4.5
95.08603	21.1
97.06541	4.0
97.10144	14.6
98.22717	3.5
104.67226	3.4
105.07020	15.8
106.57042	2.9
107.08574	26.5
109.06509	3.8
109.10149	61.3
111.08067	5.4
117.07021	3.9
119.08569	10.9
121.10116	5.0
122.22247	2.9
125.09612	10.1
131.08566	3.8
133.10095	7.5
137.09644	5.2
145.10237	7.3
147.11690	3.6
149.09604	7.7
155.10634	26.7
157.10106	4.3
159.11687	4.7
162.09937	5.7
167.08510	3.3
171.08060	4.3
173.09572	7.3
173.11725	100.0
173.13232	5.8
174.09981	7.3
174.12088	5.0
185.13269	5.1
186.13626	5.0
189.11217	12.8
196.41689	3.1
200.11433	4.2
214.13132	5.2
215.07083	6.9
215.10706	4.4
216.07352	9.0
216.11079	6.6
217.08597	4.2
218.08885	12.5
228.14549	6.7
275.20062	24.8
300.16669	4.8
302.14648	5.3
310.15256	4.4
318.17685	4.3
346.17172	24.3
346.27444	4.8
347.18256	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.8
57.03419	3.7
65.03914	4.5
67.05502	56.4
69.03410	6.3
69.07055	15.4
69.88461	10.6
69.88806	3.2
79.05484	22.9
81.06635	3.0
81.07049	18.9
83.04984	4.2
83.08619	10.3
91.05467	14.0
93.07035	17.5
95.04948	4.5
95.08603	21.1
97.06541	4.0
97.10144	14.6
98.22717	3.5
104.67226	3.4
105.07020	15.8
106.57042	2.9
107.08574	26.5
109.06509	3.8
109.10149	61.3
111.08067	5.4
117.07021	3.9
119.08569	10.9
121.10116	5.0
122.22247	2.9
125.09612	10.1
131.08566	3.8
133.10095	7.5
137.09644	5.2
145.10237	7.3
147.11690	3.6
149.09604	7.7
155.10634	26.7
157.10106	4.3
159.11687	4.7
162.09937	5.7
167.08510	3.3
171.08060	4.3
173.09572	7.3
173.11725	100.0
173.13232	5.8
174.09981	7.3
174.12088	5.0
185.13269	5.1
186.13626	5.0
189.11217	12.8
196.41689	3.1
200.11433	4.2
214.13132	5.2
215.07083	6.9
215.10706	4.4
216.07352	9.0
216.11079	6.6
217.08597	4.2
218.08885	12.5
228.14549	6.7
275.20062	24.8
300.16669	4.8
302.14648	5.3
310.15256	4.4
318.17685	4.3
346.17172	24.3
346.27444	4.8
347.18256	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	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	9.4
58.06592	2.0
63.88850	0.3
70.06590	18.7
70.72640	0.5
71.08631	3.3
71.91724	0.3
72.08142	0.6
84.08168	0.4
85.10166	1.5
86.09702	0.4
87.66279	0.3
88.07628	22.3
89.58511	0.3
98.23331	0.3
102.09174	14.8
110.24957	0.3
110.87802	0.3
132.10197	1.0
144.02292	0.3
146.11790	0.6
150.11278	0.6
240.26903	1.3
284.29471	40.3
285.29846	2.1
328.32074	2.8
346.33136	100.0
347.33475	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	347.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49517	3.9
59.32026	4.4
69.03413	6.1
69.86057	8.7
69.86412	10.8
70.06611	10.8
71.53313	4.1
73.02920	7.7
74.58405	4.5
76.14445	3.9
81.03400	22.0
85.02922	13.0
93.07081	5.9
94.49721	4.6
95.04976	6.3
97.02909	7.1
98.23413	4.6
101.00897	20.3
108.08112	10.9
113.00890	5.7
115.02425	5.5
119.01924	41.2
121.06548	13.6
123.04430	12.2
124.30752	4.4
131.01884	24.1
133.03442	5.4
136.06143	31.2
137.03024	4.9
143.01909	52.6
145.03471	18.2
153.66367	4.3
155.01904	34.4
157.03488	12.7
161.02965	57.3
167.07048	14.6
169.01341	5.1
169.03490	11.6
173.02939	40.7
177.00899	7.7
185.02991	15.8
185.09311	8.6
187.04530	11.1
197.02951	10.5
197.84439	4.4
199.04703	4.8
201.01115	4.2
203.03979	29.6
205.69469	4.8
215.04065	6.0
219.02051	28.5
221.01816	6.5
245.01758	17.4
245.05225	5.6
246.03691	10.7
251.09465	5.4
257.02133	4.6
257.05188	11.5
263.00006	5.3
263.03040	12.6
264.90100	4.8
275.02686	6.6
301.06616	4.7
301.11597	6.7
303.05957	5.5
305.00781	7.2
342.88635	5.0
347.05457	100.0
356.12961	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	347.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99581	0.8
65.25470	0.4
69.03441	0.4
69.08452	3.2
70.99595	1.2
71.04996	2.8
91.05501	0.5
97.01120	0.6
99.04468	4.0
110.07148	0.8
111.02691	0.5
114.49786	0.5
115.05461	0.8
117.07005	0.9
118.08567	0.5
120.08083	0.7
121.06505	1.0
128.06209	5.6
129.07013	0.7
131.08583	2.4
135.04408	0.8
141.06987	2.4
142.07774	6.5
142.76297	0.4
143.08591	1.6
144.05757	0.6
145.06490	2.7
147.02631	0.5
149.04263	0.5
155.06215	0.6
158.07263	1.4
159.08066	6.5
161.04219	0.6
169.06445	4.9
170.07285	3.4
171.08028	1.8
172.08806	1.9
173.05974	0.6
175.05760	3.9
185.04160	1.3
187.02139	1.4
188.02904	7.7
197.05948	5.0
198.06729	1.0
201.03661	6.7
203.05244	100.0
204.05626	4.1
205.06754	2.4
215.07152	0.5
223.11090	0.7
229.03172	4.1
231.04750	10.6
232.05138	0.6
240.71181	0.5
241.06593	0.7
243.08328	1.0
247.04243	5.5
249.05820	22.8
250.06062	1.1
252.11459	0.6
255.08450	1.2
283.07864	1.3
285.09335	2.5
287.07175	1.1
301.08865	1.8
303.10458	3.4
311.07449	3.2
329.08441	3.3
347.09412	14.8
348.09357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66393	0.4
55.05501	0.6
55.82516	0.4
57.22738	0.5
58.99580	0.6
59.37269	0.4
70.99567	1.1
71.04980	2.4
71.43729	0.7
81.03423	0.4
91.05466	0.8
95.04975	0.6
99.04456	4.6
115.05443	0.7
117.07018	0.7
120.08136	0.6
121.06483	1.0
128.06206	5.8
129.06969	1.0
131.08560	2.1
141.06992	2.2
142.07790	6.7
143.08611	1.2
145.06447	2.8
147.02605	0.8
157.06459	0.9
158.07285	1.4
159.08031	6.4
160.03430	0.6
161.04297	0.6
163.02077	0.5
169.06473	5.2
170.07275	3.5
171.08083	2.5
172.08765	1.7
173.06001	0.5
175.05733	3.4
185.04280	1.3
187.02080	1.1
187.23109	0.4
188.02896	6.4
197.05930	5.6
198.06738	1.0
201.03656	6.2
203.05237	100.0
204.05620	3.5
205.06798	1.7
212.10625	0.4
213.05402	0.7
214.12236	0.7
215.07167	0.7
223.11119	0.6
229.03198	4.7
231.04750	12.9
231.07022	0.7
233.08162	0.7
241.06729	0.5
243.08296	0.9
247.04221	6.6
249.05798	22.3
250.06125	1.1
252.11403	0.6
255.08347	0.9
269.06351	0.8
276.06738	0.5
283.07825	2.0
285.09338	2.1
287.07333	1.3
301.08875	1.7
303.10553	3.2
311.07336	3.0
329.08267	3.0
347.09421	16.2
348.12622	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
54.78189	1.0
55.01872	1.4
55.05499	3.0
57.03424	2.2
60.14813	0.9
61.02927	6.9
67.05511	2.8
68.99786	8.3
69.03429	13.1
69.17443	3.3
69.17850	3.3
71.04990	76.8
72.08140	1.0
74.06063	1.2
81.03414	19.2
81.07059	1.3
82.03764	1.1
83.04961	2.2
84.08140	5.4
85.01144	1.3
85.02905	13.4
85.06531	2.1
87.00821	7.9
87.02690	2.0
91.05475	2.0
95.04965	2.1
95.08555	1.2
97.02894	9.1
98.22681	2.3
99.04453	100.0
100.04792	1.3
105.01886	1.4
105.07023	2.5
109.02878	19.0
110.03638	1.4
110.07124	1.4
111.04440	5.3
115.05401	2.1
117.05492	1.3
117.07027	2.5
119.70940	0.9
120.08099	1.4
121.06555	1.2
127.03898	18.8
129.01819	9.0
133.06477	2.2
137.05927	1.6
145.04939	2.1
145.06500	2.3
147.02888	4.5
149.02364	1.7
158.11748	4.1
159.01122	2.1
159.02786	1.3
159.08020	2.3
159.12177	1.4
161.06068	2.8
162.76324	1.2
163.18573	1.0
171.08051	1.6
173.05968	16.8
179.06992	2.1
189.05452	1.4
194.11130	1.1
196.55482	1.0
197.09593	1.4
199.11121	6.0
204.10161	1.4
207.06519	3.2
213.03955	3.0
217.03334	1.2
225.09084	3.0
230.11780	2.2
231.08464	1.6
243.08617	3.2
245.02644	3.3
274.05328	2.3
292.06250	2.7
301.08850	2.7
346.21414	5.9
347.09369	8.6
347.20999	6.9
348.12662	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	347.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.1
54.41246	1.5
55.01872	15.5
55.05515	2.4
56.74127	1.5
57.03438	8.5
60.66355	1.5
61.02916	9.7
67.05505	3.2
68.99780	11.9
69.03424	52.0
69.39780	8.8
71.04984	28.4
72.37875	1.7
73.02911	14.2
76.95194	1.7
81.03410	65.3
81.03898	3.5
81.07076	3.9
83.01353	2.4
83.04987	4.4
85.02898	100.0
87.00821	49.6
91.03958	4.7
95.04982	3.2
97.02887	49.7
97.03475	3.1
99.04452	52.2
105.01867	19.4
105.07058	2.6
108.06582	1.6
109.02871	63.9
111.04469	3.4
117.01889	7.1
120.08159	1.7
120.43951	1.5
123.04484	2.2
123.99738	1.6
127.03909	91.4
128.04227	1.8
129.01877	7.2
133.06535	1.9
137.06010	2.8
145.04947	35.2
147.02925	6.1
158.45659	1.6
159.02866	26.1
159.04019	2.4
161.05998	2.9
179.07149	1.7
197.07988	2.6
197.09642	4.1
213.03929	24.1
213.05775	2.2
225.09219	4.1
231.04980	10.1
236.00175	1.6
243.08635	2.9
261.09833	4.7
314.25897	1.7
347.09616	5.0
348.14566	2.8
348.47000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
67.88982	0.5
68.22675	0.5
70.78052	0.9
72.08157	0.5
75.56242	0.5
86.09702	0.8
95.06229	0.5
97.10205	0.4
110.07171	1.4
120.08096	1.0
136.06099	0.5
185.07884	1.1
230.52562	0.5
287.10977	1.3
301.12692	1.5
314.80969	0.5
347.13113	100.0
348.13608	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	347.1339
Annotation	Decaloside
Peak:m/z	Relative Intensity
51.02385	1.0
53.03940	3.4
55.01871	2.1
55.05525	0.5
61.02925	0.5
62.58717	0.4
67.05515	1.6
69.03425	2.1
69.07072	1.0
69.93751	1.3
70.50978	0.4
77.03922	2.1
79.05490	18.8
81.03415	54.7
82.03725	0.6
83.04961	4.1
85.02899	2.9
91.05476	10.2
93.07043	22.8
95.04967	12.8
95.08595	0.7
97.02895	0.6
97.06526	10.7
103.05473	3.1
104.85686	0.6
105.04511	3.4
107.04954	16.8
109.02874	12.4
111.08080	1.5
121.06500	45.4
122.06827	1.2
123.04420	1.2
125.05984	13.2
127.03899	1.0
136.06187	1.4
137.05969	1.0
139.07536	7.7
149.05974	57.4
150.06305	1.6
167.07031	100.0
168.07442	3.0
181.02298	0.4
185.08041	0.7
265.92105	0.4
347.13171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.17
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.94913	2.3
57.03422	7.2
59.04999	2.9
67.05499	3.4
69.03423	3.7
69.42543	2.5
70.56078	5.7
75.04465	7.3
79.05490	11.3
81.03432	4.4
81.07052	17.4
85.02891	10.3
87.04404	3.4
91.05470	14.2
93.07041	71.5
95.04958	8.9
95.08595	10.7
97.02906	6.1
103.05439	6.3
105.04524	4.1
105.07016	10.7
107.08596	6.4
111.08057	7.8
119.08553	3.3
121.06448	6.0
121.10146	100.0
122.10436	3.1
123.11689	9.3
125.05961	6.4
127.03915	4.1
128.06239	3.1
133.10146	2.8
139.11179	16.8
149.09659	7.1
158.90314	2.9
163.03874	7.5
167.10677	20.3
173.13075	2.6
190.16417	2.6
204.23997	2.5
229.09476	2.8
311.07382	5.8
329.11594	5.2
347.12540	8.1
347.16711	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94913	2.3
57.03422	7.2
59.04999	2.9
67.05499	3.4
69.03423	3.7
69.42543	2.5
70.56078	5.7
75.04465	7.3
79.05490	11.3
81.03432	4.4
81.07052	17.4
85.02891	10.3
87.04404	3.4
91.05470	14.2
93.07041	71.5
95.04958	8.9
95.08595	10.7
97.02906	6.1
103.05439	6.3
105.04524	4.1
105.07016	10.7
107.08596	6.4
111.08057	7.8
119.08553	3.3
121.06448	6.0
121.10146	100.0
122.10436	3.1
123.11689	9.3
125.05961	6.4
127.03915	4.1
128.06239	3.1
133.10146	2.8
139.11179	16.8
149.09659	7.1
158.90314	2.9
163.03874	7.5
167.10677	20.3
173.13075	2.6
190.16417	2.6
204.23997	2.5
229.09476	2.8
311.07382	5.8
329.11594	5.2
347.12540	8.1
347.16711	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
55.01859	5.9
55.05506	5.8
57.03428	12.7
63.42896	3.2
67.05494	11.3
68.86971	3.2
69.03416	7.1
71.43369	4.0
75.04465	9.3
79.05482	13.8
81.03398	5.6
81.07057	19.8
83.04967	7.5
85.02907	21.9
87.46207	3.1
91.05470	18.2
93.07041	82.8
95.04970	10.2
95.08617	8.3
97.02892	11.0
97.06536	4.6
105.07011	14.1
107.08627	7.9
109.06458	4.7
109.10165	7.9
111.04445	6.2
111.08063	11.2
118.45583	3.7
119.08583	10.5
121.06526	8.3
121.10145	100.0
123.08007	5.2
123.11718	6.1
127.03886	6.0
131.08533	4.0
133.10185	5.2
135.08063	6.2
136.06181	9.4
139.03758	3.4
139.11162	16.8
139.13591	3.7
143.08527	6.3
145.04944	4.0
145.10078	7.2
147.11691	4.1
149.09598	14.6
151.11160	6.0
167.10709	18.6
171.11763	7.2
179.10640	4.8
185.13083	4.6
189.12842	4.4
200.67395	3.7
213.12584	3.7
215.79164	3.9
227.14261	5.0
234.33014	3.8
245.15254	4.6
311.16299	5.9
323.19775	3.4
329.17328	7.7
347.18561	8.1
348.20474	6.3
348.91995	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	347.17
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
67.05502	12.3
69.03426	26.6
69.38525	13.5
69.38915	30.8
79.05490	21.4
81.07047	32.6
86.06070	9.2
87.04462	17.6
88.99624	8.1
93.07025	51.9
95.08605	23.8
105.07043	21.9
107.04974	11.1
112.07593	28.0
114.05532	11.0
121.10129	100.0
123.08096	14.1
123.11706	12.3
127.03932	13.2
133.06477	10.7
139.11107	10.2
151.07573	21.4
167.10712	23.3
228.76662	8.0
288.83337	9.1
300.83450	10.0
347.12363	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	347.1852
Annotation	Heteroplexisolide B
Peak:m/z	Relative Intensity
55.01870	26.7
55.05507	20.7
57.03436	36.8
57.07080	8.5
59.04993	11.8
60.57551	6.2
65.03941	14.9
67.05505	38.9
69.03415	14.2
69.07064	23.7
69.07439	6.5
69.84509	21.7
71.01325	6.4
79.05495	22.2
81.03425	17.8
81.07053	30.7
83.04980	60.2
91.05482	30.9
93.07039	47.9
93.15983	6.0
95.04968	25.9
95.08619	32.4
97.02887	23.7
97.06523	19.2
99.04463	7.0
105.07027	54.0
106.84215	7.1
107.04913	7.7
107.08604	34.5
109.06505	21.3
109.10153	22.6
111.04452	65.0
113.09737	5.9
117.07007	15.5
119.08569	58.8
121.02885	20.9
121.06511	25.0
121.10138	26.5
123.04393	7.6
123.08035	14.1
123.11755	6.2
123.29015	6.1
128.06194	9.2
129.06989	14.5
131.08524	32.1
133.06465	9.0
133.10141	42.0
135.08049	77.2
136.06180	43.8
137.06030	8.8
137.09656	13.5
139.03920	20.4
142.07832	7.4
143.08571	49.0
145.06433	15.7
145.10083	33.4
147.08043	27.1
147.11682	24.6
149.09621	25.8
151.07562	11.8
151.11191	20.5
155.08559	13.0
156.09338	23.8
157.10097	40.3
159.08015	21.7
159.11665	24.0
160.08838	12.4
161.09601	48.4
161.13271	10.9
163.07587	10.3
163.11154	10.6
165.06985	9.4
165.09052	13.2
167.08522	9.8
169.10080	12.4
170.10925	10.1
171.08066	8.2
171.11649	47.2
173.09645	29.4
173.13266	16.7
175.11156	43.2
177.09045	11.9
177.12785	11.0
179.08536	14.5
179.10742	9.2
181.10085	12.7
183.07990	7.6
183.11696	15.7
185.09657	21.5
185.13251	33.5
186.10332	8.3
187.11205	25.0
189.12675	45.8
190.13516	7.4
191.14386	11.9
195.11606	8.2
197.13193	11.4
199.11179	34.3
199.14818	22.7
201.09109	9.7
201.12753	28.5
203.10678	12.3
203.14326	13.6
207.11784	7.7
207.13792	17.2
209.13223	7.2
211.11229	11.3
213.12671	41.7
214.13451	20.2
215.10649	15.6
217.12228	37.3
217.15868	9.3
219.13792	25.8
223.11201	9.9
225.12714	11.9
227.10757	16.1
227.14346	20.1
231.13800	30.4
233.11752	12.9
236.12065	8.0
237.16589	9.0
239.14328	12.3
241.12283	8.5
241.15872	14.2
245.11673	35.5
245.15413	27.0
245.19252	6.8
246.16187	7.3
251.14326	7.4
255.13824	10.4
255.17493	13.1
257.15225	7.8
263.16400	21.5
265.15817	18.5
269.15311	32.4
273.14932	15.6
273.18246	7.7
283.16763	45.9
287.16351	44.8
289.47211	7.2
293.15402	10.8
301.18008	34.3
311.16415	57.9
329.17395	100.0
347.18478	75.0
348.20166	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	347.1853
Annotation	Cyathin C5
Peak:m/z	Relative Intensity
50.79992	2.0
51.31563	1.8
53.03941	3.4
55.01875	36.9
55.05506	21.4
57.03434	29.1
57.07067	4.4
65.03932	8.4
67.05493	31.5
67.05821	2.7
69.03431	10.8
69.07058	8.3
69.35732	10.7
71.04960	5.3
74.37457	1.7
79.05486	17.2
81.03416	13.9
81.07055	20.8
83.04978	50.9
83.08586	2.7
85.02905	4.7
85.06526	3.4
91.05482	22.7
92.51151	1.8
93.03400	4.7
93.07049	21.2
95.04974	25.3
95.08616	15.1
97.02882	14.3
97.06526	9.0
98.22684	3.7
99.04446	13.8
100.11275	2.7
101.07353	2.0
105.07012	25.6
107.04955	9.0
107.08582	29.0
109.02880	6.2
109.06516	23.3
109.10159	24.5
111.04439	80.2
111.08077	4.5
113.06036	2.6
115.05427	2.2
117.07007	7.4
119.08566	33.3
121.02876	3.9
121.06491	17.0
121.10139	18.3
123.04424	4.1
123.08060	14.4
123.11705	5.1
125.05989	5.0
125.09616	5.9
127.03904	7.8
128.06256	5.0
129.05498	4.2
129.06998	7.8
130.07771	3.3
131.08531	19.5
133.06462	5.9
133.10109	25.3
135.08060	19.6
135.11676	8.4
137.05968	7.5
137.09589	10.1
139.03891	85.6
139.07558	4.3
141.06958	4.5
142.07776	7.3
143.08568	20.1
144.09317	4.2
145.06485	6.9
145.10086	23.7
147.08003	10.6
147.11664	14.6
149.05972	3.9
149.09602	15.3
149.13239	3.5
151.07565	11.5
151.11189	19.4
153.06990	2.5
154.07806	3.9
155.03436	2.1
155.08528	10.2
156.09322	8.9
157.04968	7.6
157.10117	20.1
158.10863	2.3
159.08070	9.4
159.11633	16.4
161.09604	20.3
161.13251	5.8
163.07491	2.5
163.11169	11.3
165.07013	4.0
165.09125	5.2
165.12776	4.2
166.07852	2.0
167.07106	4.0
167.08623	5.6
167.14342	2.7
168.09344	3.7
169.10126	12.1
170.10895	4.6
171.08026	5.4
171.11653	20.8
172.08850	4.6
173.09596	16.8
173.13268	19.0
174.10353	6.0
175.07518	3.9
175.11174	16.0
175.14818	2.4
176.11955	4.2
177.09142	5.1
177.12726	5.1
179.08566	5.2
179.10574	11.0
180.09314	4.3
181.10159	8.4
182.10918	5.5
183.10323	2.2
183.11658	11.8
184.08965	2.4
184.12392	3.5
185.09564	6.6
185.13255	15.6
186.10486	2.3
187.11143	10.8
187.14778	4.9
189.09091	5.5
189.12753	13.9
191.10701	3.0
191.14291	28.5
192.14926	2.2
192.76956	2.4
193.10214	5.3
193.12181	5.6
194.11031	3.5
195.11650	10.4
196.12424	4.2
197.09586	4.2
197.13245	10.3
199.11201	14.3
199.14836	6.5
201.09152	6.4
201.12801	8.0
202.13550	4.1
203.10556	9.9
203.14310	5.0
205.08640	2.7
205.12305	3.6
207.10098	2.7
207.11899	3.8
207.13799	6.9
208.12486	3.3
209.09837	2.8
209.13286	8.7
209.15373	40.2
209.17250	3.7
211.11172	6.2
211.14922	4.5
213.09122	5.1
213.12740	8.9
213.16359	2.5
215.10738	5.4
215.14294	9.7
217.08522	2.6
217.12212	9.8
217.15829	2.9
219.13791	5.8
221.13403	3.1
223.11232	4.0
223.14851	8.0
225.12846	3.9
227.10667	5.9
227.14215	11.6
229.12282	5.7
229.15826	4.0
231.10133	3.0
231.13783	12.7
233.11714	2.7
237.12845	3.1
237.16383	7.0
239.14348	5.0
241.12199	4.8
241.15852	6.3
245.11699	13.0
245.15396	18.8
247.15022	2.9
251.14368	3.6
255.13773	7.3
255.17392	4.5
257.11658	2.9
257.15417	4.2
259.13342	6.9
263.16360	12.1
265.15891	7.3
267.13834	2.7
269.11749	4.2
269.15347	7.7
273.11710	2.0
273.14914	8.2
283.16852	17.8
285.14944	3.4
287.12808	10.8
287.16364	8.0
291.15820	4.2
293.15378	8.0
301.17896	17.7
303.15750	3.7
305.13943	3.0
311.16370	22.5
329.17441	43.7
330.17783	3.1
347.18512	100.0
347.22293	4.0
348.18600	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	347.1852
Annotation	Cyathin C5
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	4.4
55.05503	3.2
56.00660	0.7
57.03438	8.8
59.04988	1.0
65.03945	1.7
67.05499	6.7
69.03424	7.7
69.07060	3.3
69.61454	2.4
71.01335	0.8
71.04997	1.5
79.05503	4.8
81.03409	2.6
81.07047	4.9
83.04977	6.9
85.02901	1.4
85.06567	1.7
91.05488	9.1
93.07044	11.0
93.28462	0.8
95.04967	5.7
95.08602	5.7
95.64522	0.9
97.02895	2.5
97.06528	3.8
98.23450	0.9
99.04446	2.9
105.04530	1.2
105.07027	13.6
107.04991	1.1
107.08585	10.2
108.08006	0.8
109.06506	4.8
109.10156	3.9
111.04424	4.2
111.08076	1.9
113.02391	0.9
115.05408	1.3
117.07024	3.6
119.08572	20.2
121.06491	6.0
121.10137	16.7
123.08067	4.2
125.02407	1.1
125.05991	2.5
127.03916	2.0
128.06224	2.4
129.06985	4.0
130.07814	2.0
131.08560	8.0
133.06488	2.1
133.10121	15.6
135.04453	0.9
135.08015	4.6
135.11690	6.2
137.02356	1.4
137.05969	3.1
137.09581	5.6
139.03900	2.3
139.07520	1.0
141.07001	2.1
142.07776	2.7
143.08592	5.7
144.09361	2.5
145.06506	2.0
145.10112	17.3
147.08035	3.3
147.11707	3.9
149.05962	2.2
149.09636	4.6
151.07527	2.6
151.11221	1.4
153.05415	2.2
153.06996	1.4
154.07739	1.0
155.08537	4.3
156.09300	3.2
157.10126	9.2
158.10930	2.2
159.08072	2.5
159.11670	10.5
160.08788	1.3
161.09612	5.4
163.07610	1.1
163.11177	16.9
165.05563	1.7
165.06975	2.1
166.07774	1.0
167.07100	1.0
167.08588	2.5
168.09364	1.8
169.10117	7.3
170.10852	2.6
171.06522	2.9
171.11702	9.6
172.08827	0.9
172.12230	0.8
173.09619	5.2
173.13249	8.5
175.11168	3.5
175.14798	3.3
176.15074	0.8
177.12744	2.9
179.07054	1.7
179.08568	3.2
180.09312	1.1
181.10103	6.1
182.10887	2.8
183.07983	1.4
183.11655	5.9
184.12279	0.8
185.09631	3.7
185.13228	5.7
186.10376	1.6
187.07637	1.3
187.11174	7.9
187.14828	3.7
189.09093	2.2
189.12770	2.2
191.10623	1.4
191.14287	2.8
192.09306	1.6
193.10091	4.4
194.10941	2.9
195.11757	5.2
196.12515	4.2
197.08087	2.6
197.09673	1.4
197.13208	8.6
198.13887	1.3
199.11127	4.0
199.14819	3.5
200.11978	2.2
201.09106	1.3
201.12709	7.6
201.16364	1.2
202.13559	2.7
203.14340	3.2
206.10825	1.3
207.11700	2.2
208.12471	2.8
209.08002	1.6
209.09732	1.3
209.13206	6.1
211.06059	1.5
211.11186	2.5
211.14804	11.9
212.11919	1.5
213.12720	3.9
214.13423	1.5
215.10767	1.4
215.14296	6.2
216.15096	1.0
217.12218	1.7
218.10947	1.4
219.11716	1.3
219.13741	0.9
220.12480	1.3
221.13324	1.9
222.13982	1.1
223.11153	2.4
223.14732	3.7
225.12666	2.8
227.10651	1.9
227.14287	3.4
229.12328	1.3
229.15910	7.6
231.13828	0.8
232.12437	1.4
233.13335	1.0
233.15489	1.0
235.09531	1.1
235.14876	1.5
236.12015	1.4
237.12715	2.6
237.16403	5.4
239.14249	1.9
241.12263	1.4
241.15926	1.8
245.15416	1.5
247.14778	2.5
250.11664	4.9
251.14403	1.7
252.15123	1.2
253.12354	1.0
253.16006	1.0
255.13794	2.9
255.17537	1.2
257.15353	1.2
265.15875	4.5
267.17419	1.5
269.15329	2.3
273.11337	1.6
273.14948	2.2
273.18344	0.9
283.13635	1.1
283.16937	3.3
293.15338	5.7
301.14468	1.1
301.17987	3.0
303.15875	1.0
303.19443	1.8
311.16418	7.4
324.99908	0.8
329.17401	17.6
330.17914	1.6
347.18515	100.0
347.27609	3.1
348.18716	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05508	1.0
56.05027	0.7
57.07074	0.8
59.30492	0.7
63.59169	0.5
68.39211	0.5
69.07072	0.6
70.06611	1.2
71.08665	0.5
81.07056	1.4
88.07617	3.9
91.05483	0.8
93.07044	0.8
95.08575	0.8
101.26440	0.5
105.07051	1.1
107.08578	0.6
114.31445	0.5
119.08576	1.2
121.10115	0.6
133.10132	0.8
134.10515	0.6
135.08008	0.9
145.10126	0.8
159.11711	0.8
189.06732	0.5
249.14752	0.8
265.13940	0.6
284.29498	1.7
285.29800	1.4
287.22784	1.0
298.31073	0.6
299.31396	0.6
346.33218	5.2
347.21896	100.0
347.33304	5.6
348.22214	5.4
348.32645	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05502	0.5
55.29229	0.4
57.07075	0.9
60.03222	0.4
60.11172	0.4
67.05496	1.0
68.83511	0.4
69.07059	0.6
70.06578	0.8
70.59975	0.4
70.62607	0.8
70.75804	0.5
81.07054	0.9
85.37756	0.4
88.07629	1.9
91.05428	0.4
93.07031	0.7
95.08598	0.9
102.09186	0.6
105.07014	0.9
107.08583	0.6
119.08581	0.9
121.10144	0.9
133.10115	0.6
134.25966	0.5
135.08061	1.5
145.10100	0.4
161.09564	0.5
177.12747	0.5
179.14336	0.4
207.04340	0.4
235.13046	1.2
249.14598	1.4
265.14200	1.1
284.29581	0.7
346.33099	2.4
347.21899	100.0
347.33340	3.3
348.22183	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	347.2581
Annotation	6beta-Hydroxy-18-acetoxycassan-13,15-diene
Peak:m/z	Relative Intensity
55.05508	38.4
57.02434	15.0
66.51947	16.2
67.05501	46.0
68.42496	13.9
69.07072	54.7
69.56551	15.4
70.06595	29.3
71.43839	20.4
72.99569	15.9
79.05476	20.5
80.06036	15.1
80.35997	14.1
80.71366	14.1
81.07054	91.1
91.05479	27.9
93.07048	45.4
95.08604	100.0
100.87042	15.5
105.07056	46.9
107.08594	40.4
109.10168	50.0
119.08615	64.1
121.10155	41.8
131.08565	28.1
133.10115	49.3
135.08080	20.4
135.11678	37.2
143.08510	17.4
145.10078	28.4
147.11705	44.8
149.13271	31.2
161.13269	46.5
163.14752	26.6
173.13242	41.3
175.14835	35.5
177.12764	20.0
201.82237	16.7
213.16264	18.3
242.34608	15.0
257.22818	24.6
266.75305	16.5
269.22693	72.1
287.23730	44.9
329.20920	37.1
329.24533	20.0
347.21793	77.3
347.25833	68.4
348.14972	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	347.2579
Annotation	Gibberosene B
Peak:m/z	Relative Intensity
55.05517	18.1
57.03432	3.7
57.07062	7.5
64.01234	3.1
67.05495	16.9
69.07065	21.3
70.06584	6.9
70.15868	5.7
70.16180	2.8
79.05486	17.4
81.07055	41.2
83.08611	12.6
85.06546	8.2
88.07625	5.0
91.05502	17.0
93.07024	24.3
95.04960	6.5
95.08598	32.8
97.06551	4.5
97.10191	4.5
98.23360	3.1
99.08109	4.4
102.95441	3.4
105.07027	24.2
107.04944	3.4
107.08586	29.7
109.06553	5.3
109.10150	19.0
111.08044	5.8
114.09171	3.1
117.07038	5.0
119.08571	53.8
121.06497	12.7
121.10130	29.5
123.08055	4.7
123.11723	9.8
125.09634	16.0
129.07001	3.5
130.67595	2.8
131.08591	19.2
132.10181	8.2
133.06482	5.0
133.10112	27.0
135.08029	14.4
135.11679	12.1
137.09628	3.2
137.13271	4.9
142.07874	4.0
142.50600	2.5
143.08548	10.1
145.10114	39.9
147.08009	5.7
147.11679	18.1
149.09604	13.4
149.13229	7.4
149.46123	3.1
151.11317	4.0
156.09340	5.0
157.10144	16.1
158.10904	4.1
159.11679	39.3
161.09624	10.5
161.13255	15.4
163.11220	5.6
163.14803	10.8
170.10895	4.7
171.11665	21.3
173.13263	25.2
175.11198	5.6
175.14859	8.5
177.12762	10.7
185.13254	18.8
187.14803	31.4
188.15645	3.3
189.12766	5.2
189.16394	34.2
191.14351	5.4
199.14774	13.8
201.16306	4.8
203.14378	4.3
205.15887	9.2
206.16550	3.5
213.16315	18.0
215.17963	3.2
217.15901	6.6
227.17943	11.8
231.17416	4.5
241.19585	6.0
243.21143	19.2
245.19057	8.4
269.22610	25.1
273.18539	6.1
277.17899	3.2
287.23651	50.3
288.24319	3.0
305.24701	67.9
306.25058	3.9
346.33075	4.6
347.18500	5.6
347.22250	4.6
347.25635	100.0
347.33374	44.8
348.25906	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2582
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
51.02383	0.8
52.92733	0.8
53.03947	2.2
55.01870	1.6
55.05508	9.5
57.07074	4.8
59.05046	0.9
65.03939	1.6
67.05504	16.3
69.03431	7.6
69.07067	24.6
69.29628	4.2
71.04987	2.1
79.05492	22.6
81.07056	100.0
82.07388	2.5
83.04992	1.2
83.08624	5.5
85.06553	4.9
89.61790	0.8
91.05476	11.9
93.07042	40.4
93.32483	0.7
94.07345	1.1
95.04974	7.1
95.08607	41.3
96.08913	1.0
97.06531	3.3
97.10178	1.7
98.22759	1.1
99.08125	1.2
105.04503	0.8
105.07030	16.3
107.08592	53.4
108.08913	0.9
109.06516	23.7
109.07221	1.5
109.10146	21.0
110.10511	0.8
111.08092	6.8
111.11703	2.4
117.07017	2.4
119.08574	14.5
120.08938	0.8
121.06512	3.1
121.10141	41.6
122.10492	1.6
123.08071	11.9
123.11704	42.5
124.12012	0.8
125.09632	8.5
127.07560	10.6
131.08591	5.7
133.10123	22.6
134.10481	0.8
135.08051	12.5
135.11681	8.4
136.11967	0.8
137.09624	2.3
137.13232	4.0
142.07785	1.3
143.08563	3.1
144.09367	0.9
145.10112	11.2
147.11700	8.2
149.09663	3.7
149.13258	44.5
150.13640	1.7
151.11171	22.0
156.09361	1.0
156.60388	0.7
157.10112	4.2
159.11670	10.6
161.13260	6.3
163.11176	3.4
163.14853	3.2
165.12761	1.3
171.10374	0.8
171.11716	3.3
172.12463	1.3
173.13264	7.9
175.14844	4.5
177.12752	7.7
177.16356	9.2
185.13272	2.7
187.14825	7.6
188.15608	1.1
189.16460	1.7
191.14331	4.3
199.14879	4.3
201.16389	13.7
202.16640	0.9
205.15930	4.8
206.16649	0.9
211.13268	6.0
213.16383	5.4
214.16805	1.0
215.18042	0.9
217.15945	1.0
219.17429	2.1
227.18027	2.2
229.19447	0.9
241.19560	2.1
241.88583	0.8
269.22586	9.6
287.20566	0.7
287.23666	21.9
288.24075	2.0
329.24683	3.8
347.21887	10.0
347.25864	25.0
347.33276	1.5
348.22089	0.9
348.26254	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.8
69.03416	1.3
69.35433	1.2
69.35740	5.5
79.05493	2.4
81.03415	7.0
81.07042	2.1
85.02895	4.7
91.05464	1.4
93.07024	3.2
93.71573	1.0
94.04198	1.6
95.08584	8.8
96.48537	1.0
97.02848	1.3
105.07014	8.7
109.06534	2.2
121.10136	3.3
123.08058	7.9
133.06479	21.6
133.81990	1.0
135.69629	1.0
136.06126	1.7
151.07523	100.0
152.07896	3.7
192.61308	1.2
221.75337	1.0
243.11411	1.6
301.54242	1.1
314.35251	1.1
348.20197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
61.02929	2.0
67.05503	2.2
68.02837	1.2
69.03425	4.9
70.77570	2.6
73.02904	1.7
77.57690	1.3
79.05492	2.9
81.03415	2.8
81.07053	2.0
85.02902	13.7
91.03928	1.7
91.05472	17.5
93.07037	2.2
95.04972	3.4
95.08601	1.5
97.02878	3.6
97.92944	1.3
103.05465	2.6
103.52513	1.4
105.07018	27.1
105.07728	1.8
119.04938	12.7
121.06541	2.4
123.08065	25.0
127.03918	2.5
133.06477	61.8
136.06175	2.6
136.07651	1.5
145.04973	2.6
151.07532	100.0
152.07870	2.5
153.09093	4.4
165.09206	1.7
169.08560	8.0
287.63727	1.3
348.14868	2.4
349.13791	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38086	4.3
53.03918	6.2
55.01858	5.3
56.05035	8.1
67.05515	4.4
69.03417	8.4
70.06569	14.6
70.34975	13.4
70.76989	4.0
71.97048	4.5
77.20303	4.8
79.05492	10.6
81.03443	8.2
81.07043	6.8
85.02899	11.6
91.05485	6.2
93.07028	12.8
95.04916	5.6
95.08599	12.7
97.02882	13.2
104.05311	6.4
105.07051	29.1
109.02830	6.2
109.06510	13.1
111.04438	6.6
121.06509	10.1
123.08069	21.8
125.05969	7.6
133.06482	18.3
136.04601	5.7
136.06181	100.0
139.07600	6.7
146.06421	5.0
149.05957	5.8
150.05374	5.9
151.07539	60.7
158.09216	7.1
167.06992	6.2
168.06549	7.2
169.04976	23.5
175.11758	5.5
177.24255	4.8
178.82184	4.7
185.85033	5.0
257.80121	4.8
348.17050	19.0
349.09039	13.8
349.13242	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70444	1.2
55.01846	1.1
55.05499	2.4
56.84129	1.3
67.05505	12.9
69.03426	1.3
69.28975	6.6
79.05441	1.4
81.07067	2.4
81.63819	1.2
85.02897	2.2
88.63661	1.2
93.07021	3.9
95.08599	39.1
98.22726	3.2
105.07006	6.4
106.26015	1.3
121.06498	2.7
123.08059	100.0
124.08448	1.9
124.45001	1.2
126.91046	1.4
133.06496	8.8
136.06169	4.4
151.07529	48.2
151.08751	2.7
156.31674	1.3
348.17062	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.6
62.58241	5.0
67.05498	48.4
69.07047	10.5
69.33456	28.6
73.42750	5.0
75.04315	4.8
78.24158	5.1
79.05478	11.7
81.07052	14.6
83.08623	7.6
93.07030	7.0
95.08607	8.9
109.10143	55.7
119.08597	6.8
125.09705	5.4
133.10089	6.2
136.06203	5.4
137.54063	5.9
151.11108	6.1
155.10651	15.9
170.10612	5.3
173.11736	100.0
173.13243	6.0
179.70058	5.1
189.11162	6.8
277.21588	15.8
295.22726	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	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.25459	0.9
61.91226	0.9
63.26789	0.8
68.99088	0.8
69.67623	0.8
70.06607	1.9
70.56487	1.1
72.08154	2.2
78.34715	0.8
79.05489	1.2
80.64494	0.8
81.07045	3.0
82.59435	0.9
83.08607	1.9
84.08157	1.1
85.02892	1.5
91.05499	4.7
93.07041	2.7
97.02801	0.9
100.33835	0.8
107.08575	0.9
108.81361	0.8
117.03371	1.1
119.04935	9.8
120.08085	1.1
124.12009	0.9
135.08035	2.0
145.02782	1.3
147.04396	33.9
148.04707	1.2
148.11238	0.9
153.09058	2.0
157.04671	1.3
168.13850	3.6
169.02608	10.0
169.14175	3.1
170.06398	2.2
177.05432	2.1
185.04201	4.0
186.14861	0.9
187.15277	1.7
188.07372	1.1
203.05249	100.0
204.05573	1.8
221.01295	1.3
245.07986	1.4
269.03210	1.1
331.07974	1.4
349.08920	58.3
350.09232	3.8
350.16754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08494	0.9
58.99586	2.7
59.93181	0.7
61.01147	2.6
70.01842	1.9
70.02190	1.1
71.04992	5.7
79.05478	0.9
81.03442	0.9
86.99037	2.0
87.02693	1.7
89.00603	2.2
91.05473	7.4
93.07085	0.8
98.23428	0.9
99.04455	10.0
105.00082	2.2
105.07026	3.8
113.00603	1.0
115.02173	3.2
115.05436	4.5
117.07015	6.2
119.04940	3.0
121.06485	1.5
123.01139	0.8
128.06232	1.4
129.06990	1.7
133.03177	1.2
133.06522	3.3
141.07042	1.8
142.07819	2.2
143.08553	4.5
145.06465	2.6
147.08124	0.8
153.06943	1.1
155.08530	1.8
156.09341	3.0
157.03242	0.9
157.10123	1.8
158.07292	2.2
159.04700	1.7
159.08047	7.7
161.02672	1.3
161.05946	4.3
165.06996	1.7
166.07782	3.8
169.06485	3.1
171.08087	4.2
171.11722	2.7
173.05984	44.7
174.06340	1.7
175.04219	1.5
175.07530	1.4
181.10187	2.2
183.08076	7.3
184.08856	11.7
185.09532	3.9
187.07541	3.6
189.09143	1.1
191.06998	0.9
195.59834	0.9
197.09628	1.0
199.07547	14.0
199.11180	60.4
200.11493	2.8
203.03740	2.6
209.09549	2.6
211.07465	1.1
212.08321	42.4
213.09091	62.5
214.09422	3.3
226.09834	3.0
227.10660	98.7
228.11275	9.9
229.12009	2.2
245.11765	1.2
259.07941	1.3
272.21176	0.8
277.05185	1.5
303.10654	1.3
349.11014	100.0
350.11362	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	349.1289
Annotation	PI-103
Peak:m/z	Relative Intensity
54.93023	0.5
76.84602	0.4
77.11390	0.4
79.50668	0.5
81.39968	0.5
91.05478	0.6
98.23460	1.0
103.68935	0.5
107.87041	0.4
135.08055	0.5
163.03893	1.0
176.23732	0.4
184.58466	0.5
213.85419	0.4
214.12413	0.6
228.14041	0.5
229.14137	0.5
256.74878	0.5
273.11212	1.1
290.10226	0.5
291.12402	3.1
298.56546	0.5
331.11807	37.2
332.12112	2.0
349.12857	100.0
350.13531	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	349.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	1.5
55.05508	4.7
56.05029	5.0
57.03437	9.6
58.99583	12.8
69.58586	2.2
69.58995	3.3
72.08134	1.1
76.02226	11.0
79.05498	12.9
81.07056	100.0
82.07397	1.8
84.04501	74.6
85.01125	4.8
85.02901	1.1
86.00655	8.2
86.99052	12.6
87.02692	43.2
87.03233	2.1
88.03030	1.3
93.07037	2.3
95.08606	1.6
98.09680	2.9
99.08081	13.0
102.05532	1.6
105.00085	13.7
106.79151	1.1
113.04218	3.3
119.00697	1.1
122.02722	54.9
127.76395	1.2
130.05005	11.1
130.06870	1.4
132.01138	15.4
140.08195	1.0
140.38573	1.1
142.03200	4.1
148.11182	1.9
148.71930	1.0
156.06479	1.5
156.08403	5.1
157.06845	2.6
159.04749	16.5
172.04301	1.0
174.09453	1.8
188.03770	3.7
202.08957	74.8
203.07361	24.8
203.09077	1.3
210.11349	1.9
220.09990	11.7
223.65366	1.0
234.04332	3.7
251.06972	2.6
286.11093	3.6
331.13196	3.2
332.11600	3.3
344.22125	1.2
349.14163	7.9
350.81171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	10.8
69.03420	5.6
70.40941	3.0
71.42323	3.5
79.05499	13.2
81.03407	7.7
81.07053	22.6
83.04980	12.7
84.08146	4.0
85.02931	3.3
93.07042	12.0
95.08598	36.5
101.99736	3.3
105.07024	26.8
109.06500	6.6
123.08061	100.0
125.05957	7.9
133.06516	10.1
144.68765	3.1
147.04468	4.5
151.07535	96.2
152.07872	6.8
153.09036	3.8
169.08575	8.1
203.05302	7.9
315.87225	3.4
349.08914	14.7
349.13324	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	349.1492
Annotation	Ajugol
Peak:m/z	Relative Intensity
58.51561	3.0
67.05502	12.2
68.79584	3.5
69.03418	5.2
69.71690	3.2
70.50827	3.4
79.05493	10.6
81.03413	5.2
81.07045	19.0
83.04989	13.8
90.86248	3.9
92.36269	3.3
93.07052	9.8
95.08600	39.0
98.23307	6.1
105.07010	25.6
107.04981	3.5
108.05701	3.8
109.06526	7.0
111.04375	4.0
113.40300	3.8
123.08067	100.0
125.06017	8.3
126.09194	3.5
133.06523	12.8
151.07542	94.2
169.08578	8.7
184.43008	3.8
247.80664	3.4
249.71851	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.2
56.96565	78.8
57.03416	12.3
67.05501	24.0
69.61196	38.4
79.05476	19.0
81.03422	14.8
81.07069	21.7
81.55505	10.8
91.05473	13.5
95.04968	20.0
96.44881	12.7
97.58582	11.0
98.23376	26.3
103.75494	12.5
105.07099	16.5
107.08618	21.4
119.08627	18.2
123.08040	29.3
128.98636	19.6
133.10159	15.0
141.02202	19.7
171.11877	12.8
179.14307	30.0
203.05908	12.6
207.06833	11.4
237.08202	12.1
255.09045	50.5
267.09122	39.7
269.10638	55.6
273.10129	31.8
275.20093	24.0
285.10074	64.4
287.11630	21.7
287.20151	29.4
309.14023	13.3
331.15662	42.1
349.16544	100.0
349.23679	20.6
349.27444	35.8
367.17853	41.7
373.73239	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	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11414	4.1
51.14349	4.5
53.03955	4.8
55.05507	11.6
56.96563	62.5
57.03426	12.4
57.07071	7.4
63.19194	4.9
67.05499	19.4
69.07077	14.3
70.40244	8.6
70.40580	5.8
79.05481	21.7
81.03405	12.9
81.07049	25.5
83.04972	6.9
88.29189	4.7
91.05461	15.3
93.07047	18.5
95.04980	7.8
95.08592	16.1
101.10802	4.5
105.07031	15.6
107.05055	5.2
107.08578	12.8
109.06506	20.9
109.10138	9.2
110.97620	6.8
111.08070	7.4
117.06955	5.7
119.08575	19.4
121.06499	6.4
121.10140	19.1
123.08067	61.6
128.98625	6.1
131.08511	10.4
133.10147	7.5
135.08063	9.7
143.08560	7.5
145.10144	9.4
146.79430	5.0
147.08035	5.3
147.11615	5.6
149.09607	6.3
159.11752	10.3
167.03722	5.9
169.01816	7.2
173.13199	5.7
179.14290	56.8
185.04959	6.3
197.08147	5.3
199.06393	10.8
203.05827	8.4
213.08058	31.7
217.07451	13.5
227.09331	5.8
229.07425	36.8
231.09039	19.3
243.09055	14.3
247.08488	23.8
255.09071	11.6
261.10120	6.1
267.09027	8.7
269.10663	21.3
275.20096	18.3
285.10132	14.0
293.20895	9.5
295.35413	6.2
299.96021	5.2
315.19318	7.3
331.15793	19.1
349.16797	63.7
349.23114	7.1
349.27322	100.0
367.17899	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1856
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.39339	7.3
51.46458	7.6
55.05507	17.4
57.89703	7.5
62.68496	7.3
67.05511	31.8
70.06599	8.6
70.43840	17.3
71.05019	9.9
79.05457	9.9
80.39986	8.9
81.07044	100.0
83.08647	11.4
85.06542	23.5
86.06050	10.4
95.05004	10.0
95.08592	9.9
100.07620	8.9
100.11266	37.0
109.10132	26.8
112.07561	10.3
123.11691	60.1
127.11195	32.7
128.07054	11.1
151.11143	12.7
169.12254	77.3
175.51060	10.1
182.15469	10.5
187.13297	36.5
210.14919	15.0
276.72763	25.2
277.37723	8.4
331.25946	9.4
343.30978	9.6
349.20566	18.3
350.14066	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	349.1856
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.05497	16.5
57.07081	4.3
58.31932	3.7
67.05496	24.4
69.03426	6.3
69.07054	11.5
70.65631	6.7
71.04982	9.9
71.47426	3.4
79.05482	9.1
81.03409	4.7
81.07051	100.0
83.08617	5.1
85.02898	9.3
85.06525	4.9
91.05464	5.6
93.07011	10.8
95.04955	7.6
95.08593	24.4
97.10158	10.4
99.21096	3.6
100.11258	8.2
105.07027	11.4
107.08549	6.7
109.10141	5.1
114.10297	22.8
115.10621	7.6
116.08511	3.8
123.11695	70.9
131.08542	4.9
136.08429	7.3
151.11195	14.4
159.11705	7.2
169.12212	52.9
181.04919	11.1
182.15562	3.9
187.13268	64.5
210.14922	4.9
331.18866	7.6
349.15674	90.8
349.20447	10.5
350.23206	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05489	1.3
69.07063	0.5
69.51322	0.9
69.51714	1.0
79.05484	1.1
79.17991	0.5
81.03391	0.9
81.07032	1.2
88.52757	0.4
91.05455	1.1
93.07041	1.0
95.08598	1.2
98.22799	0.6
105.07008	1.1
107.08580	0.6
109.06447	0.6
109.10136	0.5
111.74971	0.5
119.08581	1.1
121.10114	0.7
131.08505	0.8
133.10147	0.8
134.24451	0.6
135.43315	0.5
137.05724	2.5
139.08145	0.5
145.10089	0.8
146.37802	0.6
163.99423	0.5
173.78247	0.5
225.10997	0.7
227.31348	0.5
235.13074	0.7
261.14578	2.1
275.20099	0.6
331.18826	0.8
349.19815	100.0
350.20178	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01878	0.3
55.05508	1.9
57.03438	1.7
63.06082	0.3
67.05508	3.3
69.07066	1.3
79.05496	4.0
81.03409	0.3
81.07053	5.6
83.04996	0.5
83.08631	0.5
85.06535	0.4
91.05479	3.6
93.07039	3.5
95.04977	1.0
95.08601	2.8
97.06538	0.8
98.89793	0.3
105.07029	3.8
107.04955	0.3
107.08595	1.7
109.06550	1.8
109.10150	1.1
117.07022	1.5
119.08591	3.9
121.06519	0.5
121.10153	0.9
122.29823	0.3
123.08059	0.3
129.07027	0.3
131.08554	1.6
133.10088	2.2
135.08034	0.4
135.11691	1.0
137.09595	0.4
145.10129	1.5
147.11732	1.5
149.09625	0.5
157.10150	0.3
159.11674	0.9
160.33728	0.3
161.13400	0.2
173.13210	0.5
183.11757	0.3
219.17448	1.6
220.90134	0.3
245.05504	0.3
257.19150	0.6
275.20056	3.1
286.30084	0.4
317.16727	0.3
348.33783	0.9
349.19846	100.0
350.20175	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	349.2007
Annotation	Effusanin A
Peak:m/z	Relative Intensity
53.42953	0.8
55.05518	1.3
61.14188	0.9
67.05494	2.7
69.03410	1.5
69.07068	1.3
70.50318	1.1
70.50645	2.0
79.05480	3.7
81.03410	1.3
81.07034	2.6
83.04930	1.0
89.03913	1.0
91.05484	2.9
93.07027	7.2
95.04999	2.0
95.08601	4.3
96.99764	1.0
99.17525	0.9
100.11239	1.2
103.05450	3.5
105.07004	5.3
107.04962	2.4
107.08574	4.1
109.06478	2.4
109.10139	1.9
114.10233	1.4
115.05422	2.1
117.06980	1.7
119.08561	3.6
121.06495	2.1
121.10139	17.2
123.04418	1.0
123.08031	2.5
123.74300	1.0
124.50805	1.0
125.09589	1.5
126.01067	2.4
129.06999	1.4
131.08450	1.2
133.10149	1.3
135.04405	4.3
135.08043	1.7
136.06158	7.2
137.05807	1.4
137.06656	1.4
139.11165	2.9
143.08479	1.0
145.02840	1.4
145.10092	2.0
147.07996	1.3
147.11754	1.4
149.02359	2.1
149.05948	2.4
149.99696	1.0
157.06415	1.1
157.10092	1.5
159.08028	1.6
159.11658	1.3
161.06012	1.3
163.03879	23.1
163.07549	3.1
163.11128	1.2
165.05461	77.4
166.05733	1.8
170.12280	1.0
174.09084	2.3
174.90144	1.0
177.05446	77.3
178.05788	2.7
181.04895	1.3
185.09595	1.0
187.07590	1.2
189.08948	1.4
191.07004	41.2
193.08585	2.9
195.06546	4.0
199.07474	1.2
199.11232	1.5
201.09116	2.5
203.10608	2.7
207.11752	1.3
211.11197	1.3
212.08330	3.8
215.10811	1.1
217.08559	3.1
225.12819	1.1
227.10652	5.0
229.08655	1.3
256.17966	1.0
257.15158	1.3
264.15961	1.2
267.17545	1.0
288.15866	1.5
295.16788	1.3
303.15897	22.5
304.16263	1.8
319.82681	1.0
331.19006	100.0
332.19131	6.4
349.15921	4.3
349.20056	95.5
350.19894	10.1
355.04327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2006
Annotation	18-oxo-Resolvin E1
Peak:m/z	Relative Intensity
53.03947	7.7
55.01878	8.7
55.05508	25.1
56.78219	2.4
57.03434	46.7
61.19310	2.5
65.03939	5.5
66.36280	2.6
67.05500	62.1
69.03422	4.9
69.07053	23.3
69.66727	10.5
71.04996	7.1
79.05489	43.6
81.03413	100.0
81.07052	52.7
82.03789	2.9
83.04990	5.7
83.08620	8.6
91.05477	54.2
93.07037	42.5
95.04961	91.1
95.08599	32.0
95.33306	2.6
97.06536	15.8
97.10165	3.7
97.18405	2.6
99.06321	2.6
99.08128	3.0
103.05502	4.9
105.07027	63.6
107.04939	15.2
107.08587	52.5
109.06478	15.0
109.10160	18.8
111.08118	10.2
115.05479	4.3
117.07041	23.2
119.05006	2.9
119.08568	43.2
121.06525	18.5
121.10170	22.8
123.04433	10.8
123.08061	13.5
123.11711	6.8
125.05934	3.6
125.09641	19.3
128.06189	5.3
129.07027	10.3
131.08568	33.4
133.06491	4.2
133.10121	41.2
135.08063	10.9
135.11710	16.3
137.09607	8.2
139.32883	2.4
141.06923	3.6
143.08510	12.9
143.10637	3.6
145.06473	28.4
145.10124	35.3
147.08046	21.7
147.11658	26.2
147.12508	2.4
149.05981	6.3
149.09602	19.6
149.13260	6.4
151.11220	9.6
153.09145	4.7
155.08562	5.7
157.10121	14.8
159.08075	9.3
159.11694	22.6
161.09651	11.6
161.13292	9.7
163.11194	15.3
163.14825	3.5
165.09096	5.2
165.12720	4.4
168.11424	2.5
169.10117	8.4
171.11711	14.1
173.09644	7.4
173.13171	16.8
175.11198	10.2
175.14828	3.1
176.11957	2.7
177.12798	2.8
179.10704	7.7
181.12210	2.8
183.11601	4.8
185.09570	5.9
185.13293	3.9
187.11220	7.4
187.14850	5.3
189.09076	2.9
189.12798	7.4
191.10730	2.7
191.14273	15.4
193.12271	3.0
195.11710	3.1
197.09575	4.7
197.13268	5.7
198.10132	2.6
199.11183	7.8
201.12746	4.6
203.14467	3.2
205.59825	2.6
209.15407	6.2
211.11273	4.0
213.12708	8.3
215.14268	5.7
227.14290	4.3
229.15837	8.5
229.19528	3.4
231.13849	7.5
238.13597	3.5
239.14409	3.9
239.17938	10.2
245.15305	3.5
247.20677	3.5
255.13898	3.6
257.15399	8.9
257.18872	16.2
263.16507	4.4
267.17474	9.3
269.15430	3.8
270.16141	8.3
271.13739	2.5
271.16733	3.5
275.20016	32.8
283.13074	2.7
285.18369	17.1
295.16901	11.2
296.81134	2.5
303.19305	4.1
313.17914	33.9
321.20660	5.5
322.80878	2.7
331.18893	17.5
349.19998	22.1
349.23740	47.7
356.93658	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Leonotin
Peak:m/z	Relative Intensity
50.06760	0.6
53.03942	3.4
55.01872	3.1
55.05513	3.9
57.03434	25.8
57.07075	1.1
59.05000	1.5
64.09234	0.6
65.03934	3.1
67.05501	29.0
68.05814	0.6
69.03416	3.0
69.07063	5.9
69.76645	2.1
71.04984	4.3
71.08612	1.4
73.02916	0.8
79.05497	4.9
81.03413	100.0
81.07054	5.9
82.03744	1.5
83.04970	5.3
83.08614	1.8
85.06538	1.1
91.05482	6.6
93.07039	9.4
95.04962	82.6
95.08604	5.5
96.05284	1.2
97.06527	11.4
97.10186	0.8
99.04446	7.9
101.02377	1.5
101.06042	1.0
105.07021	9.8
107.04955	2.4
107.08586	14.9
109.06519	7.3
109.10152	15.2
111.08075	3.8
113.06007	1.2
113.09633	0.9
115.05460	0.7
117.06994	2.1
119.04961	0.9
119.08588	7.6
121.02853	1.6
121.06512	5.5
121.10133	6.1
123.04430	6.1
123.08057	5.1
123.11679	2.4
125.05981	1.8
125.09619	18.9
127.11159	0.9
128.06186	1.5
129.06978	2.4
131.04933	2.1
131.08543	4.4
133.06468	3.2
133.10124	8.0
134.33870	0.7
135.08035	5.3
135.11691	5.4
137.05980	0.8
137.09627	6.6
138.84793	0.5
139.07524	2.5
139.11230	1.3
141.05470	1.1
141.06972	0.8
142.07733	0.8
143.08553	4.4
145.06483	10.9
145.10117	4.0
147.08031	11.5
147.11662	3.4
149.05968	1.3
149.09628	4.4
149.13252	2.1
151.07521	5.0
151.11172	11.2
153.09079	0.9
153.12704	5.5
155.08502	1.7
157.06488	0.7
157.10120	2.5
159.08064	4.5
159.11647	2.7
161.05960	1.2
161.09613	5.9
161.13220	1.7
163.07518	0.8
163.11136	3.0
163.14801	1.2
165.09099	2.1
165.12708	1.2
167.08569	0.9
167.10635	4.9
169.10133	2.1
169.12213	2.6
169.70221	0.6
171.08029	2.0
171.11674	2.0
172.08821	0.9
173.09608	5.7
173.13263	1.6
175.07555	0.8
175.11197	6.6
176.11588	0.6
177.09074	2.2
177.12732	2.7
179.07039	2.1
179.10628	1.8
179.20990	0.6
181.12254	2.9
183.08046	1.5
183.11665	1.7
185.09549	1.4
185.13174	0.7
187.07524	2.3
187.11240	3.3
189.09090	6.8
189.12727	1.1
191.10641	1.1
191.14265	2.7
193.08508	3.2
193.12213	2.5
195.10138	0.7
197.09644	1.3
197.11632	1.5
197.13251	0.9
199.11136	1.8
201.09064	2.0
201.12711	1.2
203.10675	1.3
205.08589	4.4
205.12177	2.9
206.00487	0.6
206.09232	0.6
207.10127	9.3
207.11908	1.1
207.13806	1.5
209.15324	2.6
213.12883	0.9
215.10704	5.2
215.14308	2.2
217.12238	1.1
219.13695	0.7
221.11621	1.1
225.12778	1.0
227.14224	0.9
229.12190	1.6
229.15863	1.9
231.13757	1.2
233.11699	2.9
235.13326	0.8
235.16853	0.7
237.14809	2.4
239.14355	1.6
241.12181	0.8
243.10115	0.9
243.13731	1.4
245.11682	1.1
245.15294	0.6
247.16893	0.9
249.14828	0.9
255.13745	0.6
257.15347	5.8
258.16068	0.9
263.16406	1.4
267.17267	1.1
271.13403	1.0
271.16925	1.1
275.16397	2.8
281.17487	3.5
281.84903	0.7
285.18475	1.8
289.14313	10.0
295.16721	1.2
303.19379	0.8
313.17880	3.7
331.15698	0.5
331.19012	10.1
336.12930	0.7
349.20053	14.2
350.20471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
53.03935	4.2
53.33223	3.2
55.01873	6.2
55.05507	5.9
57.03438	19.1
57.07077	3.1
59.60409	2.4
65.03930	5.2
67.05505	100.0
69.03422	10.3
69.07077	7.8
70.06574	3.2
71.04996	6.6
71.44445	3.6
79.05484	12.4
79.95723	3.5
81.03413	63.3
81.07056	11.2
83.04990	11.2
85.02847	2.8
85.06543	3.5
91.05473	13.2
93.07037	16.4
95.04970	47.2
95.08584	15.7
97.06527	5.3
99.04439	14.1
105.07037	15.8
107.08590	28.7
109.06514	11.0
109.10154	8.8
115.19972	2.8
117.07057	3.8
119.08555	13.5
121.06480	4.1
121.10149	19.4
123.04434	16.2
123.08076	7.9
125.09616	6.7
129.06999	8.8
131.08554	15.8
133.06520	5.2
133.10085	16.9
135.08070	9.0
135.11676	12.0
137.09669	4.3
141.05511	4.9
143.08568	9.7
145.06546	4.5
145.10114	18.8
147.11691	8.7
149.09618	13.4
149.13255	10.9
151.11163	10.6
153.12756	7.4
155.08556	4.6
156.09294	3.6
157.10101	5.9
158.10889	10.3
159.08107	3.3
159.11679	4.2
161.06003	3.3
161.09602	14.4
163.14818	8.2
169.10190	4.0
171.11693	7.9
173.05936	3.8
173.09636	11.9
173.13278	36.5
175.11139	6.5
179.07040	4.4
183.11717	4.8
185.09563	3.0
185.13235	10.3
186.10446	4.4
187.11108	5.2
187.14853	3.0
189.12738	8.8
191.14305	49.4
195.11737	3.0
197.13246	4.0
199.11171	5.5
201.12766	7.0
203.10736	4.6
207.13795	4.4
209.13374	3.1
209.15382	10.6
213.12753	3.4
215.10692	3.5
215.14337	7.4
217.12277	3.4
219.13889	4.0
223.14787	4.5
227.10744	5.7
227.14330	9.4
229.12238	23.1
229.15891	5.1
230.12645	3.4
245.15323	15.2
253.15952	9.4
256.30652	3.4
257.15292	8.3
257.22580	2.7
269.15274	3.7
271.16913	6.7
275.16385	4.7
285.18283	3.3
287.16321	4.4
295.17026	6.6
313.17874	16.9
316.15460	4.0
331.19125	13.0
349.10962	3.5
349.20087	76.3
350.20605	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	349.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01878	8.7
55.05508	25.1
56.78219	2.4
57.03434	46.7
61.19310	2.5
65.03939	5.5
66.36280	2.6
67.05500	62.1
69.03422	4.9
69.07053	23.3
69.66727	10.5
71.04996	7.1
79.05489	43.6
81.03413	100.0
81.07052	52.7
82.03789	2.9
83.04990	5.7
83.08620	8.6
91.05477	54.2
93.07037	42.5
95.04961	91.1
95.08599	32.0
95.33306	2.6
97.06536	15.8
97.10165	3.7
97.18405	2.6
99.06321	2.6
99.08128	3.0
103.05502	4.9
105.07027	63.6
107.04939	15.2
107.08587	52.5
109.06478	15.0
109.10160	18.8
111.08118	10.2
115.05479	4.3
117.07041	23.2
119.05006	2.9
119.08568	43.2
121.06525	18.5
121.10170	22.8
123.04433	10.8
123.08061	13.5
123.11711	6.8
125.05934	3.6
125.09641	19.3
128.06189	5.3
129.07027	10.3
131.08568	33.4
133.06491	4.2
133.10121	41.2
135.08063	10.9
135.11710	16.3
137.09607	8.2
139.32883	2.4
141.06923	3.6
143.08510	12.9
143.10637	3.6
145.06473	28.4
145.10124	35.3
147.08046	21.7
147.11658	26.2
147.12508	2.4
149.05981	6.3
149.09602	19.6
149.13260	6.4
151.11220	9.6
153.09145	4.7
155.08562	5.7
157.10121	14.8
159.08075	9.3
159.11694	22.6
161.09651	11.6
161.13292	9.7
163.11194	15.3
163.14825	3.5
165.09096	5.2
165.12720	4.4
168.11424	2.5
169.10117	8.4
171.11711	14.1
173.09644	7.4
173.13171	16.8
175.11198	10.2
175.14828	3.1
176.11957	2.7
177.12798	2.8
179.10704	7.7
181.12210	2.8
183.11601	4.8
185.09570	5.9
185.13293	3.9
187.11220	7.4
187.14850	5.3
189.09076	2.9
189.12798	7.4
191.10730	2.7
191.14273	15.4
193.12271	3.0
195.11710	3.1
197.09575	4.7
197.13268	5.7
198.10132	2.6
199.11183	7.8
201.12746	4.6
203.14467	3.2
205.59825	2.6
209.15407	6.2
211.11273	4.0
213.12708	8.3
215.14268	5.7
227.14290	4.3
229.15837	8.5
229.19528	3.4
231.13849	7.5
238.13597	3.5
239.14409	3.9
239.17938	10.2
245.15305	3.5
247.20677	3.5
255.13898	3.6
257.15399	8.9
257.18872	16.2
263.16507	4.4
267.17474	9.3
269.15430	3.8
270.16141	8.3
271.13739	2.5
271.16733	3.5
275.20016	32.8
283.13074	2.7
285.18369	17.1
295.16901	11.2
296.81134	2.5
303.19305	4.1
313.17914	33.9
321.20660	5.5
322.80878	2.7
331.18893	17.5
349.19998	22.1
349.23740	47.7
356.93658	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2007
Annotation	18-oxo-Resolvin E1
Peak:m/z	Relative Intensity
53.03945	4.5
55.01869	5.8
55.05513	8.9
57.03434	5.5
57.07070	9.3
65.03940	5.0
67.05499	42.5
69.03429	3.8
69.07062	7.9
71.04975	7.6
71.43672	2.1
79.05483	10.3
81.03412	80.5
81.07047	13.3
83.04971	7.8
83.08588	3.8
85.06543	7.2
91.05470	17.8
92.67465	1.6
93.07027	11.7
95.04961	100.0
95.08600	12.5
97.06532	5.4
97.10124	2.3
99.04445	16.5
105.07018	17.4
107.04953	5.7
107.08582	18.4
109.06512	10.1
109.10147	6.7
111.08099	3.8
113.06043	2.2
117.07028	6.1
119.04970	2.0
119.08565	22.9
121.06505	10.7
121.10136	8.7
123.04448	3.3
123.08051	9.1
123.11713	2.5
125.09639	2.6
129.07042	5.1
131.04904	3.7
131.08578	10.3
132.56305	1.6
133.06512	9.0
133.10118	15.5
135.08037	14.4
135.11687	5.3
137.05899	2.0
137.09619	5.8
141.07021	3.8
142.07767	3.8
143.08553	6.2
143.30676	2.0
144.09369	1.9
145.06476	12.4
145.10126	9.7
147.08041	20.0
147.11670	5.0
149.09584	10.9
149.13260	2.5
151.07523	13.2
151.08546	2.0
151.11208	8.6
155.08522	4.5
156.09468	2.1
157.10078	9.8
159.08080	5.4
159.11722	6.1
161.09596	27.5
161.13243	4.9
163.07567	3.3
163.11186	2.1
165.06990	2.0
165.09113	7.6
167.10696	2.3
169.10173	6.5
170.10838	1.7
171.08069	6.8
171.11693	7.0
173.09641	8.7
173.13304	5.6
175.07570	2.1
175.11201	7.2
175.14668	2.1
177.09067	14.1
177.12715	4.4
179.07162	2.6
179.10709	4.5
179.14313	2.5
181.08617	4.1
181.10078	3.6
183.08028	2.8
183.11687	7.4
184.08929	1.7
185.09605	6.9
185.13208	4.1
187.07520	3.0
187.11215	7.4
189.09093	13.1
189.12761	4.9
191.10602	2.6
191.14325	2.9
193.12274	5.8
196.08820	1.9
197.09686	6.4
197.13243	2.2
199.11166	8.9
201.09171	3.8
201.12779	9.9
203.10748	2.2
203.14342	4.1
205.12141	2.1
207.10118	26.4
207.11708	2.5
209.09679	2.8
209.13513	2.5
209.15408	3.4
211.11206	14.3
213.09085	2.2
213.12743	4.0
215.10683	5.1
215.14273	3.4
217.12233	2.8
219.13835	7.1
225.09088	2.5
225.12823	6.3
227.10684	6.4
227.14261	3.5
229.12247	11.4
231.13666	3.7
235.11134	2.2
237.14912	2.7
239.14267	2.9
241.15843	4.9
243.13745	15.2
245.11714	2.8
247.13385	3.6
249.14850	5.8
253.12184	4.1
253.16029	3.6
257.11731	2.6
257.15479	2.3
257.18887	4.0
267.17444	7.7
271.13281	17.3
271.16846	7.2
275.20129	4.9
285.18481	14.8
289.14255	2.8
295.16870	10.6
313.17960	24.1
331.18979	27.8
349.19983	7.5
349.23730	4.7
349.27490	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05511	5.6
57.03432	2.1
57.07070	5.0
59.04990	0.7
65.03942	0.7
67.05498	7.1
69.07066	8.6
71.04995	1.0
71.08627	2.6
72.51100	0.7
79.05489	4.6
81.03434	3.5
81.07053	11.2
83.04975	1.3
83.08621	3.1
85.06549	2.7
91.05479	3.7
93.07035	6.0
95.04955	4.1
95.08597	7.5
97.06537	1.7
99.08070	2.4
105.07014	4.0
107.08597	7.0
109.06513	20.2
109.10136	5.0
111.08084	1.4
114.76830	0.6
117.07034	1.2
119.08547	4.2
121.06503	0.8
121.10155	2.9
122.07294	1.7
123.08061	44.7
123.11710	1.5
124.08368	1.1
125.09642	1.3
126.84704	0.7
127.35114	0.9
131.08545	1.0
133.10091	4.0
135.08054	4.6
135.11691	1.6
136.08838	0.8
137.09608	2.9
137.13249	1.0
145.10139	1.8
146.06212	0.7
147.11662	1.3
149.09619	1.2
149.13237	1.6
151.11162	0.8
159.08070	0.7
159.11722	1.8
161.13210	0.9
167.14255	1.0
173.13246	1.5
173.71960	0.7
174.97482	0.7
175.14832	1.3
177.12694	0.9
179.14297	89.4
180.14667	3.2
191.14299	0.7
193.08507	0.8
193.15866	2.3
251.20322	0.7
275.20013	2.2
279.16479	0.6
286.41498	0.8
288.29453	0.6
289.25360	0.8
293.21051	7.7
313.25388	0.8
331.26343	5.5
349.23407	67.6
349.27377	100.0
350.23721	3.4
350.27716	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05511	5.6
57.03432	2.1
57.07070	5.0
59.04990	0.7
65.03942	0.7
67.05498	7.1
69.07066	8.6
71.04995	1.0
71.08627	2.6
72.51100	0.7
79.05489	4.6
81.03434	3.5
81.07053	11.2
83.04975	1.3
83.08621	3.1
85.06549	2.7
91.05479	3.7
93.07035	6.0
95.04955	4.1
95.08597	7.5
97.06537	1.7
99.08070	2.4
105.07014	4.0
107.08597	7.0
109.06513	20.2
109.10136	5.0
111.08084	1.4
114.76830	0.6
117.07034	1.2
119.08547	4.2
121.06503	0.8
121.10155	2.9
122.07294	1.7
123.08061	44.7
123.11710	1.5
124.08368	1.1
125.09642	1.3
126.84704	0.7
127.35114	0.9
131.08545	1.0
133.10091	4.0
135.08054	4.6
135.11691	1.6
136.08838	0.8
137.09608	2.9
137.13249	1.0
145.10139	1.8
146.06212	0.7
147.11662	1.3
149.09619	1.2
149.13237	1.6
151.11162	0.8
159.08070	0.7
159.11722	1.8
161.13210	0.9
167.14255	1.0
173.13246	1.5
173.71960	0.7
174.97482	0.7
175.14832	1.3
177.12694	0.9
179.14297	89.4
180.14667	3.2
191.14299	0.7
193.08507	0.8
193.15866	2.3
251.20322	0.7
275.20013	2.2
279.16479	0.6
286.41498	0.8
288.29453	0.6
289.25360	0.8
293.21051	7.7
313.25388	0.8
331.26343	5.5
349.23407	67.6
349.27377	100.0
350.23721	3.4
350.27716	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.14774	1.1
55.01867	8.4
55.05511	12.9
57.03437	7.6
57.07071	1.2
65.03928	1.6
65.87338	1.2
66.33318	1.1
67.05164	1.8
67.05502	28.2
67.05864	1.7
69.03417	1.5
69.07063	13.2
70.44044	1.0
71.04964	1.0
71.42769	1.8
75.04509	1.2
79.05483	23.9
81.03413	3.7
81.06572	1.3
81.07050	22.6
83.04965	5.0
83.08609	5.1
85.06554	1.1
91.05477	24.5
93.07037	21.8
95.04956	8.7
95.08604	15.3
97.06523	8.2
97.10167	1.9
104.81644	1.1
105.04492	1.7
105.06358	2.0
105.07023	30.2
107.04959	5.4
107.08587	20.0
109.06509	4.1
109.10162	7.2
117.07004	11.2
119.08577	18.4
121.06505	2.3
121.10128	11.3
123.08047	2.4
123.11699	2.5
125.09621	2.9
129.06975	2.8
131.08548	15.0
133.10126	19.6
135.08014	1.9
135.11688	7.1
137.05756	2.0
137.09654	2.2
141.06973	1.8
142.07759	1.3
143.08553	5.5
145.10117	31.0
147.08054	1.7
147.11708	12.1
149.09593	7.3
149.13239	1.8
155.08559	2.2
157.10124	4.3
159.11687	13.5
161.09569	1.4
161.13232	5.1
163.11156	3.6
165.09270	1.3
169.10051	2.8
171.11673	5.7
173.11897	1.8
173.13199	7.8
175.04945	1.5
175.11099	1.5
177.12743	1.9
179.14339	2.0
181.04990	3.0
183.11656	3.3
185.13194	1.6
187.11221	1.4
191.14322	1.6
194.84375	1.2
197.13226	2.0
221.11511	4.2
229.19499	3.4
239.17958	6.7
244.73140	1.2
247.20486	2.9
257.18964	19.7
275.20047	24.3
276.20578	1.5
331.19098	2.6
337.11545	1.2
349.19763	100.0
349.23697	54.8
350.20142	6.6
350.23712	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.01868	2.7
55.05508	12.7
57.03437	41.5
57.07059	2.7
59.04985	2.7
67.05502	39.4
69.07063	10.6
71.32111	2.4
79.05491	36.7
81.03418	4.6
81.07054	36.0
83.05003	3.7
83.08618	5.8
85.06539	9.2
91.05482	44.9
92.05825	3.2
93.07039	40.7
95.04969	8.6
95.08601	33.0
97.06529	6.4
97.10147	3.1
99.04448	7.6
105.04533	3.2
105.07013	32.2
107.04950	5.0
107.08598	21.3
109.06495	11.4
109.10146	9.4
111.08080	4.4
115.05460	1.8
117.07018	17.9
119.08583	31.3
121.06539	4.2
121.10135	15.1
123.08070	4.4
123.11707	3.4
128.06172	2.0
129.07024	3.9
131.08553	24.4
133.10120	21.7
135.08118	5.7
135.11691	9.9
137.09590	3.9
143.08557	5.9
145.10121	13.3
147.11702	8.4
149.09628	4.2
157.10126	2.2
159.11687	8.7
161.05997	2.6
161.13254	2.9
163.11180	2.4
166.98204	2.1
171.11856	3.0
173.13306	4.8
175.14798	2.3
179.14322	3.3
185.13293	5.1
189.05338	2.2
201.16383	7.3
203.14287	3.3
219.17438	100.0
220.17799	4.7
257.18997	3.5
275.20047	14.7
349.23718	19.1
349.27469	2.7
349.33978	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01872	14.0
55.05304	2.3
55.05517	27.1
57.03440	13.8
65.03944	3.6
67.05505	48.7
69.03414	2.6
69.07068	35.0
70.55254	1.7
75.78253	1.7
79.05492	58.4
81.03419	18.1
81.07055	48.6
83.04990	17.4
83.08610	8.8
85.06525	3.5
91.05479	44.9
93.07044	43.2
94.07370	1.9
95.01323	13.0
95.04978	16.6
95.08604	33.3
97.06536	16.1
97.10163	6.3
105.04542	2.4
105.07029	59.9
107.04951	27.4
107.08598	28.7
108.08978	1.9
109.06507	5.5
109.10174	10.6
111.08075	4.1
117.06997	16.3
119.08585	31.8
121.06517	5.6
121.10157	11.7
123.08096	6.0
123.11725	3.1
125.09612	4.7
129.07014	2.7
131.08551	18.7
133.10132	30.0
135.08084	3.4
135.11679	9.4
141.07024	3.0
143.08563	3.5
145.06479	2.8
145.10104	15.5
147.11690	18.6
149.09618	18.5
149.13264	5.5
155.08623	3.2
159.11667	11.3
161.13245	5.6
163.11188	5.4
163.14873	2.9
169.10214	2.7
171.11766	2.7
173.13278	5.6
177.12785	4.3
179.14362	11.5
183.11673	2.3
187.11182	3.5
187.14955	2.3
189.11267	2.5
197.13249	3.3
204.08379	1.8
247.20474	3.2
257.18967	6.1
275.20071	45.1
276.20554	3.3
294.47974	2.2
309.49622	2.1
349.19818	100.0
349.23773	21.8
349.27200	3.8
350.20169	5.6
350.24176	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01860	12.7
55.05508	52.1
56.05833	3.0
57.03441	16.5
57.07055	3.4
61.16946	2.9
67.05502	52.6
69.03426	5.2
69.07064	13.6
71.04981	7.6
79.05042	5.1
79.05491	100.0
80.36040	3.0
81.07049	43.9
83.04983	24.1
83.08614	11.3
85.06550	3.4
91.05479	36.8
93.07043	65.5
95.04986	13.9
95.08606	28.0
97.06513	8.9
97.10175	15.6
105.04523	3.9
105.07014	38.8
107.04943	31.0
107.07928	4.3
107.08592	57.0
109.06512	5.9
109.10146	25.3
111.08085	3.5
117.07047	13.5
119.08591	22.9
121.06549	6.3
121.10159	23.9
123.08032	3.6
125.09628	16.0
131.08560	16.2
133.10118	23.3
135.04402	5.1
135.08089	8.7
135.11739	5.6
139.37247	2.5
145.10143	15.2
147.11671	13.6
149.09615	47.4
153.09053	3.1
159.11740	5.8
161.13229	5.9
163.14795	4.4
169.12215	4.0
171.11877	6.7
173.11833	5.2
173.13232	6.6
189.11217	7.2
197.39255	3.0
204.09436	2.6
209.15421	3.7
216.26465	3.4
216.55630	3.1
229.19518	5.4
239.17867	3.4
257.19019	10.1
275.20035	38.9
349.23706	28.8
349.27411	5.8
349.34119	5.8
350.23987	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29694	1.0
55.01875	1.8
55.05514	10.1
57.03436	37.8
57.07074	1.5
59.04997	1.0
65.03928	2.3
67.05160	2.1
67.05502	31.3
69.07062	8.1
70.01571	3.0
70.06602	1.7
71.04998	1.1
77.03931	1.2
79.05492	31.6
79.05949	1.7
80.94843	1.6
81.03458	1.1
81.07054	28.9
83.02303	0.9
83.04977	2.8
83.08614	4.9
85.06543	10.1
88.07629	2.0
91.05478	43.4
91.29781	0.9
93.07040	35.2
94.07394	1.3
95.04969	5.3
95.08598	23.5
97.06525	2.5
97.10168	1.5
99.04450	6.4
99.08083	1.3
105.04472	1.3
105.07012	28.2
107.04973	3.7
107.08591	17.3
109.06519	12.3
109.10152	10.5
111.08101	3.0
115.05441	1.6
115.61944	0.8
117.07014	13.9
119.08578	28.7
120.10608	1.0
121.06535	2.8
121.10147	10.6
123.08067	2.9
123.11669	1.4
129.07008	3.7
131.08566	20.4
133.10110	15.5
135.08061	3.8
135.11697	6.4
137.09572	2.9
143.08568	2.3
145.10126	12.6
147.11685	5.7
149.09596	3.1
149.13255	1.7
153.12759	3.1
157.10139	1.9
159.11687	5.0
161.13269	3.1
163.11195	1.6
163.14783	1.3
171.11911	3.0
173.13290	4.1
175.11162	1.4
175.14861	1.9
177.12700	1.6
185.13310	5.0
201.14548	0.9
201.16338	5.3
203.14349	3.8
209.15367	1.7
217.15904	1.1
219.17429	100.0
220.17795	4.3
247.98000	0.9
257.18964	2.9
275.20013	10.9
275.67929	1.0
286.30182	1.2
287.30295	1.2
306.10709	1.1
348.33463	2.4
349.23737	14.7
349.27530	1.8
349.33887	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36315	1.4
53.03933	3.2
53.08503	1.4
54.75665	1.3
55.01864	3.0
55.05508	18.8
57.03429	13.8
57.07070	4.4
58.93208	1.2
63.09803	1.3
65.03943	3.0
67.05502	62.3
69.00762	1.3
69.03419	2.0
69.07072	15.7
70.06741	1.2
71.04992	2.3
77.03919	2.0
79.05041	2.7
79.05491	39.8
81.03399	4.8
81.07052	38.2
83.04973	4.4
83.08611	6.0
85.06568	2.4
91.05476	46.9
93.07040	33.8
95.04960	11.7
95.08600	26.4
96.33619	1.6
97.06542	2.8
97.10134	3.3
101.09071	1.4
105.07027	47.1
106.07385	2.6
107.04958	2.8
107.08585	21.2
109.06535	6.2
109.10154	15.1
111.08046	2.6
115.05463	2.0
117.07021	16.3
119.08582	35.1
121.06498	4.7
121.10148	14.2
123.04542	1.4
123.08061	9.7
123.11703	3.1
125.09666	2.6
129.06990	5.3
131.08562	16.6
133.10129	31.2
135.08023	3.6
135.11693	7.0
137.09596	6.2
137.95258	1.5
141.07002	2.4
143.08563	4.0
145.10104	13.1
147.11702	15.3
149.09570	8.5
149.13234	3.5
151.11214	2.6
155.08528	3.2
157.10100	3.1
159.11713	12.3
161.13245	8.2
163.11182	4.1
163.14769	3.2
165.12842	1.8
169.10115	2.1
171.11671	4.5
173.13248	9.8
175.14893	1.5
179.14288	6.6
183.11658	3.4
187.14795	2.6
197.13200	3.8
201.12735	1.7
205.12346	1.9
213.16446	1.4
229.19472	4.8
239.17813	3.8
247.20569	6.0
257.18958	6.4
275.20047	44.4
276.20328	2.5
293.21033	1.8
303.26752	2.6
331.26218	7.3
349.19781	100.0
349.23679	29.8
349.27258	9.3
350.20154	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01875	14.6
55.05505	45.0
56.96558	11.5
57.03215	2.1
57.03436	21.3
57.07057	8.9
65.03936	6.1
67.05501	88.2
67.05867	4.7
69.03423	6.2
69.07063	28.7
70.98616	3.2
71.04992	5.7
77.03907	2.9
79.05488	100.0
81.02958	4.0
81.03411	54.8
81.07049	64.2
83.04980	22.6
83.08609	12.7
85.02907	2.2
85.06522	6.3
91.05477	67.5
93.07040	66.0
95.01314	8.6
95.04964	68.9
95.08599	40.2
97.06520	22.5
97.10156	10.6
99.04440	10.2
101.05981	3.1
105.03397	2.6
105.04530	4.8
105.07021	70.8
106.07332	2.0
107.04952	28.1
107.08588	49.4
109.06487	11.9
109.10141	22.2
111.08050	7.0
115.05477	3.9
117.07010	22.8
119.07751	2.6
119.08577	50.0
121.06481	11.6
121.10139	26.4
123.04462	2.2
123.08040	11.7
123.11691	6.2
125.09623	10.5
129.06996	7.0
131.08557	31.5
133.06502	2.2
133.10124	44.4
135.08047	15.4
135.11702	14.8
135.79926	2.1
137.06007	2.9
137.09598	6.2
141.06996	6.3
143.08556	9.9
145.06491	7.3
145.10136	24.9
147.08058	9.8
147.11674	31.7
149.05972	8.9
149.09616	30.0
149.13240	7.4
151.07509	6.3
151.11169	5.3
153.09082	3.2
154.16446	1.9
155.08549	5.3
157.10124	7.4
159.08073	6.5
159.11671	20.1
161.05943	2.4
161.09637	15.1
161.13231	8.9
163.11183	5.4
163.14783	2.4
165.09093	4.6
165.12672	2.4
167.10632	2.4
169.10120	8.0
171.10320	2.4
171.11656	11.9
173.09616	5.0
173.11815	4.4
173.13277	11.6
175.11101	4.8
177.09102	4.8
177.12735	7.2
179.14249	13.0
181.08618	2.3
183.11674	10.3
185.09619	4.3
185.13361	3.3
187.11209	5.7
187.13132	2.4
187.14833	3.9
189.09085	9.7
189.11081	2.8
189.12724	3.0
191.10670	2.2
191.14348	3.5
193.12186	3.8
197.09593	2.9
197.13249	3.9
199.06567	2.1
199.11203	5.2
201.12730	5.9
207.10089	16.5
209.09538	2.9
209.15340	2.4
211.11240	7.1
211.14838	2.5
213.07968	6.1
215.14285	2.9
217.07529	3.0
219.13815	3.0
227.10629	2.2
227.14191	2.3
228.23196	3.4
229.07486	6.5
229.12238	7.1
229.19504	5.9
231.09030	6.4
231.13745	3.0
233.15373	4.4
237.14912	2.1
239.17924	4.8
243.08969	2.9
243.13799	6.9
245.11522	2.8
247.08588	5.1
247.20520	4.7
253.12161	2.1
257.18979	14.3
271.13336	6.9
275.20044	61.8
276.20282	2.7
285.18478	7.8
295.17017	7.4
303.19434	2.3
313.17947	11.1
331.15729	5.8
331.19012	13.5
331.22244	2.4
349.16547	11.3
349.20407	3.2
349.23718	39.5
349.27744	4.0
350.27222	3.7
367.18002	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
53.46179	0.9
55.01876	1.2
55.05513	8.7
57.03442	1.6
57.07073	6.4
59.11393	1.0
65.03921	1.1
67.05500	14.0
69.03413	1.1
69.07064	9.9
69.23296	2.5
69.23705	2.5
71.04988	3.0
71.08640	2.7
73.24534	1.0
79.05490	11.0
81.03440	3.2
81.07052	17.1
83.04993	1.5
83.08617	3.1
84.39458	0.9
85.06573	2.3
91.05482	12.1
93.07042	17.3
95.04960	8.8
95.08596	13.6
97.06551	3.6
97.10136	1.4
97.42948	1.0
98.23435	1.7
99.08054	1.4
105.07021	20.3
107.08582	15.0
109.06509	21.6
109.07201	1.4
109.10153	9.5
111.08097	2.4
115.05483	1.4
117.07038	3.2
119.08570	18.0
120.08890	1.1
121.06558	2.6
121.10133	19.9
122.07307	2.1
123.08069	48.0
123.11736	2.4
125.09632	1.0
128.06216	1.7
129.07036	3.6
130.07791	1.2
131.08554	10.9
133.10123	11.7
135.08009	6.3
135.11710	6.1
137.09610	2.4
141.07019	1.6
142.07820	2.8
143.08568	6.4
145.06477	1.5
145.10120	13.2
147.08060	1.9
147.11673	5.0
149.09668	3.5
149.13272	1.7
155.08571	2.7
156.09375	2.7
157.10143	6.9
159.08098	1.2
159.11710	4.6
161.09560	4.7
161.13290	4.0
165.12808	1.3
167.14384	1.0
168.09401	1.0
169.10085	4.4
171.11739	3.6
173.09552	1.5
173.13219	5.7
175.14851	2.2
179.08601	1.5
179.14297	80.5
180.14699	2.7
181.10139	2.4
183.11766	3.5
185.13332	2.3
187.14836	2.6
193.15918	2.3
194.10954	2.1
195.11787	1.7
197.13307	3.5
199.14833	1.5
201.16628	1.1
209.13338	3.3
211.14955	2.1
227.14128	1.0
229.19434	1.0
239.18034	1.3
275.20145	2.3
293.21106	6.1
331.26416	3.5
349.27460	100.0
350.27872	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	349.2735
Annotation	13-Acetoxygeranyllinalol
Peak:m/z	Relative Intensity
53.03938	1.8
55.04402	1.4
55.05511	15.3
57.03433	20.3
57.07076	13.6
59.97054	1.5
62.63800	1.8
63.59142	1.8
65.03931	2.0
67.05500	57.9
69.07063	16.7
71.04991	1.8
71.08620	6.2
79.05054	1.7
79.05490	28.0
81.07051	81.8
83.05000	1.8
83.08603	8.8
85.06540	1.5
85.10168	5.7
89.06020	19.4
91.05473	15.0
91.92634	1.7
93.07040	38.8
95.04939	3.0
95.08601	55.8
97.06518	3.1
97.10151	5.2
97.10772	1.5
105.07024	15.7
107.08585	26.5
109.06488	2.1
109.10149	28.4
111.08101	2.1
112.99968	8.9
117.07001	2.7
119.08579	10.8
121.10144	20.4
123.08063	5.8
123.11684	14.5
131.08572	7.9
133.08627	9.4
133.10115	9.9
135.11691	11.6
137.09552	2.1
137.13237	5.8
145.10126	7.6
147.11641	7.7
149.09717	1.7
149.13249	10.2
151.09648	2.3
159.11668	4.7
161.13234	5.0
163.14828	5.3
169.02596	7.9
173.13263	4.8
175.14876	3.4
177.16400	2.8
179.14279	6.6
185.57899	1.5
187.14786	3.5
195.12260	5.6
196.48410	1.5
201.16360	2.0
233.84026	1.7
257.22665	5.1
275.23672	12.4
293.24731	2.8
331.26202	7.3
349.27341	100.0
350.27631	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03954	0.6
55.01865	1.3
55.05508	7.2
57.07061	2.3
59.84027	0.6
66.82320	0.6
67.05500	4.9
69.06709	0.9
69.07066	12.2
70.71030	1.2
71.04980	1.5
71.08630	1.3
73.06549	0.9
79.05492	4.8
81.07053	11.3
83.04975	1.0
83.08627	4.5
85.06531	1.1
91.05470	3.0
93.07034	7.0
95.05031	0.7
95.08602	9.6
97.06531	1.7
99.08098	1.0
101.49019	0.5
105.07023	4.1
107.08586	7.1
109.05765	0.7
109.06512	15.1
109.10139	4.4
111.08066	2.4
119.08576	4.4
121.06516	0.7
121.10141	4.1
122.07326	1.6
123.08065	77.9
123.11693	2.3
124.08391	1.8
125.09623	0.6
131.08562	1.3
133.10107	2.4
135.08051	5.5
135.11674	1.2
137.09592	4.1
145.10162	1.0
147.11696	2.7
149.09639	1.5
149.13263	1.5
153.10887	0.6
159.11646	1.4
161.13229	1.1
165.12715	1.1
167.14314	0.9
175.14793	0.9
177.12741	0.7
179.14302	32.1
180.14606	0.6
193.15866	0.7
195.17734	0.6
233.18958	1.2
268.53110	0.6
270.78070	0.6
273.82455	0.6
275.20038	1.6
281.21124	0.7
286.78299	0.5
289.25296	0.6
293.21088	18.0
297.42313	0.6
307.22723	0.7
331.26215	3.9
349.27362	100.0
350.27710	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03918	0.5
55.01867	1.2
55.05507	6.8
56.46859	0.5
57.07073	2.4
59.04975	0.6
65.03959	0.6
67.05501	7.1
69.07062	12.3
70.62923	0.8
71.04981	1.4
71.08633	0.8
73.06540	0.8
79.05482	4.9
81.07053	9.5
82.03238	0.5
83.04975	0.9
83.08606	4.3
85.06528	1.5
91.05467	2.3
93.02711	0.5
93.07033	5.3
95.08600	9.9
97.06519	2.1
97.10152	1.1
105.07011	2.9
107.08588	6.9
109.06506	14.5
109.07224	0.9
109.10146	4.6
110.06828	0.8
111.08076	2.8
119.08576	3.7
121.10136	4.8
122.07239	0.9
123.08058	78.6
123.11674	1.8
124.08373	2.7
125.09631	0.8
129.65065	0.5
131.08566	0.7
133.10092	2.5
135.08031	6.4
135.11667	2.1
136.08879	0.8
137.09587	4.5
137.10338	0.4
137.13231	0.8
145.10120	0.8
147.11673	1.9
149.09598	1.7
149.13235	1.9
151.11133	0.7
159.11703	1.1
161.13208	1.2
163.11160	0.6
165.12732	0.8
167.14281	0.9
177.12743	0.8
179.14296	17.0
193.15811	0.5
226.50671	0.5
231.16020	0.6
233.18942	1.0
275.20013	1.1
282.91763	0.5
289.25198	1.3
293.21069	17.8
294.21436	0.6
303.26813	0.8
307.22610	0.6
323.44583	0.5
331.26181	3.4
349.27335	100.0
350.27710	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
57.07075	4.3
67.14487	3.2
68.99208	3.0
69.07068	7.2
69.61574	6.9
69.61965	6.8
79.05518	4.5
81.07043	10.5
83.08625	3.2
89.96803	3.5
92.75794	3.4
95.08614	8.1
105.07001	4.0
109.06523	15.3
109.10143	3.5
111.34879	3.1
114.79368	3.6
123.08060	35.3
123.11666	3.2
123.66106	3.3
135.07977	4.1
137.13397	3.6
143.23515	3.1
179.14305	63.0
207.13216	3.9
293.21030	7.5
349.27328	100.0
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	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.94949	0.7
53.03939	1.1
55.01865	1.5
55.05301	0.6
55.05511	8.1
57.03426	1.8
57.07072	5.0
57.21838	0.6
57.49490	0.7
64.69001	0.6
65.03909	0.8
67.05503	10.5
67.30573	0.6
69.03439	1.3
69.06704	1.0
69.07063	11.0
69.48527	1.6
69.48923	2.4
71.04987	0.9
73.44170	0.7
75.72335	0.7
76.26424	0.6
79.05492	8.8
81.03397	1.4
81.07051	17.7
83.04964	3.1
83.08611	3.5
85.06526	1.5
91.05475	7.2
93.07033	10.5
95.04950	3.1
95.08605	16.7
95.50618	0.7
97.06508	1.6
97.10157	2.5
98.23476	1.2
99.04433	0.8
99.08078	0.9
105.04491	0.8
105.07030	9.8
107.04944	1.0
107.08590	17.2
109.06520	6.4
109.10162	7.8
111.08061	1.6
117.07006	2.2
118.30718	0.6
119.07745	1.3
119.08572	17.1
121.06490	2.6
121.10143	12.3
121.19987	0.6
122.07294	1.3
123.08056	15.5
123.11682	2.4
125.09577	0.9
131.08574	4.8
133.10120	10.6
135.08034	7.8
135.11670	5.2
136.08839	1.9
137.05930	0.7
137.09590	3.5
137.13275	2.8
145.10121	5.0
147.11684	4.8
149.09624	8.0
149.13286	1.9
151.11145	1.3
157.10132	1.1
159.11723	3.3
161.09563	1.1
161.13284	5.2
163.11182	1.6
163.14815	3.7
165.11418	0.8
165.12659	3.7
171.11784	1.8
173.13271	4.3
175.14841	2.2
177.12767	1.9
179.14299	15.9
189.16391	1.5
191.14299	6.7
201.16389	1.1
203.17943	0.7
205.15891	0.8
209.13353	0.9
219.17355	0.8
233.18997	0.9
245.05530	0.9
257.19058	1.2
275.20010	4.2
285.25735	1.5
293.21130	2.3
303.26801	24.1
304.27090	1.7
313.25070	1.5
331.26291	100.0
332.26666	7.1
349.08597	0.9
349.23621	1.6
349.27359	22.0
349.33939	1.6
350.27997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	0.9
55.05513	8.4
57.03431	1.7
57.07075	5.0
60.60629	0.7
67.05505	9.6
68.67522	0.8
69.06718	1.2
69.07066	15.2
69.42855	3.6
71.05019	0.7
71.05485	0.7
71.08624	1.4
79.05494	7.5
81.03393	2.7
81.07053	10.5
83.04976	3.1
83.08616	6.4
85.06580	0.8
91.05472	6.0
93.07040	12.7
95.04955	2.3
95.08606	8.8
97.06516	1.0
105.07022	6.6
107.05007	1.0
107.08595	17.1
108.08890	0.9
109.06520	3.1
109.10155	4.2
111.08056	0.8
117.07032	1.8
119.08580	12.1
121.06491	2.9
121.10139	9.6
123.07392	0.8
123.08082	8.6
123.11701	1.7
131.08572	2.9
133.10124	10.5
135.08047	8.4
135.11664	5.7
136.08788	2.5
137.09581	1.6
137.13281	0.7
143.08531	1.0
145.10104	4.6
147.11722	3.8
149.09630	7.1
149.13258	2.9
157.10106	0.8
159.11729	3.4
161.13234	3.2
161.53510	0.9
163.11188	1.2
163.14803	3.1
173.13214	1.8
175.11238	1.1
175.14810	3.3
175.60298	0.7
177.12703	2.6
177.16435	1.8
179.14314	5.8
189.16428	1.0
191.14320	8.6
191.17888	1.0
201.16435	1.4
203.17924	1.7
205.15877	1.4
205.19514	0.9
205.60997	0.8
213.10995	0.8
219.17479	1.1
225.64871	0.9
229.19424	1.0
239.03954	0.8
245.05742	1.0
247.20779	0.9
257.18872	1.1
275.20056	3.0
275.27359	2.1
285.25586	0.8
289.21860	1.0
303.26773	12.4
321.08484	1.3
331.26288	100.0
332.26596	5.9
349.08298	1.0
349.23511	5.0
349.27383	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	349.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
57.03428	1.6
57.07070	41.8
58.07407	0.6
59.05018	0.6
67.05502	3.6
69.07063	2.9
69.58841	2.5
71.08624	25.5
72.04478	1.3
72.08933	0.9
73.06536	3.5
79.05480	1.9
81.07052	4.0
83.08610	2.4
85.10171	18.9
87.04460	2.0
89.06022	100.0
90.06351	0.9
91.05470	1.7
93.07022	3.1
93.45708	0.6
95.08615	2.7
97.10181	3.2
99.11729	2.0
104.36216	0.6
105.07039	0.5
107.07053	7.2
107.08585	2.5
109.06535	0.7
109.10177	1.4
109.40604	0.5
113.00012	4.5
113.13301	0.7
119.08568	1.2
121.10162	1.4
123.08060	1.9
130.08632	1.9
133.08594	30.7
145.10091	0.6
147.11674	0.7
151.09637	3.9
153.09021	0.9
155.16805	0.6
155.18010	1.5
156.32339	0.5
169.02618	3.8
177.11171	5.1
179.14281	2.7
195.12256	16.3
196.12741	0.6
198.14861	1.3
199.20729	0.6
222.02969	0.7
243.23022	0.8
349.23422	5.5
349.27554	6.6
350.27670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31224	0.8
56.05017	1.5
58.66626	0.8
67.70913	0.8
69.03418	1.5
70.06584	2.4
71.42529	1.2
78.64532	0.7
79.60432	0.9
81.56046	0.7
84.08136	1.3
84.49023	0.8
85.02892	1.4
101.00865	9.6
104.05295	1.8
113.00865	7.6
119.01097	1.7
119.01917	29.0
120.02024	0.9
120.08118	1.7
131.01904	20.2
132.02036	1.3
136.06184	51.6
137.02940	6.4
137.06610	0.9
139.02390	1.5
143.01917	2.7
145.02756	1.0
147.01456	0.9
147.04395	1.5
155.01889	4.4
157.03465	15.3
161.02881	5.8
167.01904	3.3
173.03000	4.1
175.04517	6.3
176.04170	26.5
177.05551	1.7
185.02953	17.3
188.03769	3.8
191.04230	0.9
194.05237	64.8
195.05322	2.0
202.07484	0.8
204.03726	1.9
209.05235	2.2
212.06248	7.1
215.03896	1.3
217.04388	1.4
218.05228	42.9
219.05400	2.6
222.04765	1.7
224.04562	1.4
227.99225	1.1
230.05232	33.8
231.05490	2.2
232.06757	1.7
233.05037	5.3
236.06267	21.6
237.06706	1.3
244.06833	1.6
246.04710	2.3
248.06314	11.4
254.07365	6.2
260.06271	1.1
269.03296	2.1
277.09317	0.9
287.04462	1.2
308.08405	8.7
309.08548	1.2
326.09454	8.2
350.09451	100.0
351.09741	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	350.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20848	0.2
58.99590	0.3
69.76782	0.7
73.01135	2.2
75.02693	0.9
79.90216	0.2
86.99055	0.3
98.23356	0.3
99.02661	0.3
130.29532	0.2
131.08530	0.3
136.07571	0.4
143.00224	0.2
145.03157	0.7
149.09616	0.7
158.09639	0.4
160.07599	0.2
172.11198	0.2
174.09146	0.4
176.05353	0.2
176.10681	0.6
186.09109	0.7
186.12828	0.2
187.10028	0.5
188.10689	2.4
189.11374	0.2
190.08923	0.2
195.10506	0.4
198.09091	1.6
199.09792	0.3
200.10703	0.4
201.03748	0.2
202.12251	0.7
204.10167	0.6
204.13882	0.5
205.10918	0.4
206.11754	1.7
212.10698	2.8
213.11418	0.5
214.12263	8.1
215.12589	0.6
216.10165	3.0
218.11729	0.4
218.15385	0.3
228.13815	14.8
229.14104	0.8
230.06795	0.4
230.11736	22.9
231.12474	5.3
232.07901	0.3
232.13316	6.9
233.13527	0.2
244.13364	0.6
246.14883	7.8
247.15231	0.4
254.15346	1.3
256.17029	0.5
258.11267	0.7
258.15009	0.3
260.11017	0.9
263.11536	0.4
272.16437	1.8
276.06836	3.0
276.12292	0.7
278.12057	2.0
288.14114	0.4
294.07947	2.1
295.08392	0.3
306.15179	11.3
307.15530	0.6
332.13184	1.2
350.14169	100.0
351.14301	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	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97455	3.1
55.05512	4.4
58.99590	4.8
62.54689	3.1
69.03468	5.2
70.06578	3.7
70.58196	4.1
70.58521	4.5
79.05490	10.6
81.07059	61.4
81.32715	3.0
82.07382	11.6
83.08633	3.4
84.04502	18.6
85.02894	22.6
85.04841	6.4
86.09718	4.5
87.02702	14.1
87.27038	3.3
91.05474	8.5
93.07043	100.0
97.02885	6.7
99.14370	3.2
107.08588	25.3
109.06541	29.5
111.08075	4.0
115.92952	3.9
122.02743	11.4
125.06013	3.4
127.03918	7.1
130.05000	6.4
135.08058	43.4
145.04964	8.1
153.09111	79.2
153.10271	6.1
158.13316	3.5
163.06030	8.1
163.62979	2.9
173.12880	5.4
177.05492	3.6
180.08684	8.9
181.04996	4.4
188.03627	3.9
198.09738	14.4
202.08984	8.9
203.07602	3.6
203.09233	19.5
204.07715	4.8
205.08931	3.7
214.42581	3.4
220.10033	3.4
245.09387	3.5
252.97578	3.0
333.10913	5.7
350.09317	4.6
350.14020	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	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.4
57.03416	2.1
61.02923	2.1
67.05499	8.7
68.06709	1.3
69.03419	3.6
69.82689	3.1
69.83054	2.6
73.33262	1.5
79.05505	9.8
81.07070	6.6
81.50372	1.4
82.12778	1.2
83.04993	1.6
83.08590	1.4
85.02902	12.0
91.05465	2.8
93.06466	1.5
93.07043	26.0
95.04974	9.2
97.02891	3.4
99.57444	1.6
105.06990	1.7
107.08589	23.1
109.06481	2.0
109.10161	10.3
110.07117	1.6
111.08072	7.2
117.07020	12.9
119.97006	1.5
122.52708	1.5
125.09637	13.5
134.06017	4.8
135.08049	36.4
152.07036	6.3
153.09096	100.0
154.09456	3.6
171.10162	76.0
172.10484	3.1
228.13818	1.8
251.97603	1.5
306.15039	1.8
332.11917	7.0
350.13629	22.2
351.10495	2.2
359.42496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
61.46715	2.6
67.05502	3.3
69.03436	4.5
70.06602	14.8
71.02190	2.8
72.08158	3.5
73.51571	3.0
79.05490	13.1
81.07057	44.6
82.07412	3.4
83.60133	2.9
84.08167	4.0
85.02910	20.3
91.05476	11.7
93.07042	96.4
94.07378	4.3
97.02879	6.0
105.07026	4.4
107.04964	2.8
107.08589	29.2
109.06519	30.5
117.03371	6.6
117.07063	6.6
120.08113	4.9
120.88431	2.9
127.03912	9.4
131.08749	3.6
135.08051	100.0
145.02856	17.8
145.04938	8.2
147.04443	6.0
148.04771	3.3
149.05856	3.8
153.09111	70.9
154.09541	3.1
163.06104	4.4
163.07475	3.1
170.06389	13.8
170.07678	3.1
177.05513	20.5
188.07401	5.8
203.05263	11.7
204.05600	12.5
213.67317	3.0
218.49323	3.4
255.23891	3.1
350.09195	17.3
351.10535	27.6
351.14630	3.1
351.16486	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	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32736	3.4
67.05534	5.1
69.03445	3.4
71.32813	3.8
74.45676	3.6
75.75915	3.5
79.05484	12.2
81.03416	5.9
85.02907	13.0
93.07057	28.0
95.04964	8.0
98.16256	3.6
99.03789	3.8
107.08590	20.3
109.10155	8.2
109.75067	3.6
111.08067	6.5
117.07011	10.7
125.09641	13.4
135.08034	41.0
153.09094	100.0
153.10274	6.7
171.10147	66.8
189.11195	4.5
313.67709	4.1
350.13742	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	350.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.05510	17.6
57.03441	12.4
58.11086	4.6
67.05505	49.5
69.07069	17.0
71.42274	5.9
79.05495	46.7
79.32233	4.3
80.05814	5.0
81.03416	49.5
81.07056	46.4
83.08623	6.2
91.05481	39.2
92.05795	7.1
93.07042	62.5
95.04965	64.9
95.08598	35.0
97.06545	5.4
99.08081	4.7
105.06996	52.1
106.07345	6.8
107.04966	16.9
107.08592	48.4
109.06520	41.5
109.10139	13.9
111.08098	5.4
115.04008	5.2
116.06262	4.8
117.07016	14.7
119.08593	55.1
121.06538	14.3
121.10146	98.1
123.04432	9.3
123.08086	15.1
123.11658	11.6
126.72846	5.0
131.08571	16.2
133.06480	7.6
133.10141	41.7
135.08057	31.0
135.11656	36.7
137.05988	8.5
137.09599	8.1
137.13310	5.4
143.08586	7.2
145.06529	5.3
145.10129	26.3
147.08003	9.1
147.11667	32.6
149.08174	5.6
149.09624	16.1
149.13261	14.2
157.10139	14.7
159.07986	6.6
159.11722	21.2
161.09593	12.9
161.13228	26.4
163.11180	68.9
171.11826	18.1
173.13310	10.1
175.11060	8.3
175.14842	24.0
177.12723	12.3
179.14389	8.6
185.13248	7.0
189.12726	6.2
191.14244	6.2
193.15901	21.2
197.13354	6.5
201.12779	6.8
203.14331	5.6
211.14880	6.6
221.15347	9.6
229.15779	8.9
241.15936	11.4
241.19553	17.6
243.13860	4.7
255.17566	5.6
259.20599	40.6
269.19031	14.0
276.20392	6.9
279.17316	10.3
287.19986	8.8
297.18484	42.9
315.19501	100.0
316.19958	7.4
319.59271	4.8
333.20605	84.3
350.23734	16.1
351.25134	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	350.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44659	3.5
55.05504	15.5
56.96570	6.5
57.03422	4.4
60.03044	3.9
67.05497	24.1
68.32085	3.6
69.07062	10.9
69.93324	6.8
69.93657	5.6
73.07506	3.5
79.05494	25.7
81.07051	29.8
83.04980	10.4
83.08594	4.9
91.05468	20.5
93.07032	42.3
95.04954	14.2
95.08586	31.2
97.06529	6.0
98.23353	5.8
99.04453	4.9
99.49100	3.9
105.06989	32.4
107.08594	51.3
109.06522	6.0
109.10151	13.7
111.04440	21.9
111.08068	6.7
117.07022	9.6
119.08579	32.5
121.10151	32.8
123.08070	6.3
125.06007	6.9
125.09612	5.0
129.06990	4.3
131.08548	21.6
133.10265	13.7
135.04372	4.0
135.08092	5.9
135.11690	11.7
139.07556	22.0
142.07756	5.8
143.08556	13.8
145.10117	36.5
147.11696	5.3
149.09550	7.3
153.09068	18.2
157.10114	11.7
158.10956	5.8
159.11700	35.1
168.46429	3.8
171.11754	19.9
173.13269	5.6
183.11668	6.3
185.13237	8.6
187.14803	6.6
191.10565	5.3
205.12198	20.9
217.12282	14.9
219.13809	6.7
231.13666	7.4
241.12279	4.9
255.13791	9.2
257.15262	18.4
271.16998	6.3
287.20007	52.4
297.18466	100.0
297.21762	6.4
315.19501	65.7
333.20688	14.4
350.17139	9.3
351.21393	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	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03027	3.8
71.07225	5.5
74.10940	3.8
86.18967	3.6
189.68784	4.3
190.61473	3.5
266.71906	4.0
351.06903	100.0
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
65.27472	4.3
69.77999	19.9
82.34400	4.8
87.98106	5.2
103.51537	4.5
117.92859	4.4
128.99507	5.2
143.38582	4.7
151.33081	4.9
159.60315	4.9
197.65909	5.1
208.09708	7.1
351.06833	100.0
351.11392	7.3
351.12933	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	351.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.3
58.74981	0.9
64.22421	1.1
68.28237	0.9
71.42522	1.3
79.53775	1.0
84.08137	2.8
85.08352	0.9
98.97581	11.8
110.97561	1.4
116.98634	3.4
117.05493	1.4
119.01908	3.0
120.02003	2.5
120.08098	1.6
129.10226	1.4
131.01903	1.5
136.06181	7.3
145.02849	2.9
146.99684	1.3
147.03299	1.6
147.04419	1.2
147.11206	0.9
149.05994	1.1
158.03610	1.8
158.99681	2.3
165.04314	1.3
176.04321	1.9
177.00766	3.6
177.04193	2.3
177.05511	2.6
186.03088	1.6
189.04314	1.5
194.05238	3.1
195.05376	7.5
196.04980	1.7
218.05316	1.3
219.01758	2.8
219.05354	4.8
228.76709	1.0
230.05090	1.3
231.05406	5.2
232.04933	1.9
237.02856	3.8
237.06418	3.9
249.06340	2.4
266.11969	1.0
269.03360	3.1
283.24664	1.0
287.04398	1.6
291.07538	3.7
309.08539	13.6
310.04749	1.6
326.92828	1.0
327.09732	2.3
328.05600	1.9
351.10367	100.0
352.10352	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	351.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38428	0.9
64.84659	1.2
69.31871	1.7
69.32281	5.4
79.05534	1.5
79.99359	1.0
81.03417	1.1
83.04961	2.3
91.05477	1.5
93.07085	1.2
95.08569	1.5
98.23539	1.1
105.07072	1.3
107.08575	1.3
119.08584	1.0
129.21643	1.0
153.39610	1.1
185.04202	92.5
186.04541	2.3
189.08861	14.4
207.09933	1.5
299.97849	1.0
306.54318	1.0
315.19470	1.2
333.13297	2.4
351.14117	100.0
351.21375	10.2
352.14743	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	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.9
55.05506	1.6
57.03434	1.1
57.07074	1.6
61.02918	0.7
67.05497	3.5
69.03434	1.4
69.07062	3.6
69.31606	1.5
69.32017	0.8
71.01352	1.5
71.05003	2.5
73.02916	1.9
79.05491	2.0
81.03417	2.0
81.07068	4.5
83.05003	0.6
83.08592	0.6
85.02924	0.8
85.06529	0.9
89.06034	1.0
89.37624	0.5
91.05480	15.7
93.07043	1.8
95.04979	1.3
95.08593	3.5
97.02896	4.8
97.06525	9.0
98.06844	0.5
99.04449	0.7
105.07036	1.1
107.08599	0.6
109.06532	1.7
111.08079	2.6
115.07576	1.4
117.07023	1.5
119.08564	0.5
123.04462	0.8
123.08033	2.6
125.06004	1.7
127.03903	1.6
127.07561	6.5
135.11664	0.5
137.09608	1.8
139.07552	2.4
141.09117	0.7
143.07004	0.7
147.08047	100.0
147.09106	7.1
148.08415	2.9
151.07574	4.5
151.09706	1.1
165.09109	3.1
169.08595	6.4
187.09732	1.5
190.94035	0.5
231.04106	0.5
330.45056	0.6
333.16962	1.7
351.17899	1.3
351.28876	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	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.1
56.96559	11.6
57.03441	5.9
57.07070	3.9
67.05499	43.7
69.07065	16.0
70.69895	2.5
71.04987	5.3
71.08637	6.1
79.05489	65.6
81.07054	54.2
83.08624	8.5
85.06544	4.0
91.05467	63.9
93.07043	80.5
94.23379	2.5
94.84211	2.8
95.04964	11.4
95.08603	36.8
95.42677	2.6
97.10162	3.0
99.08086	7.9
105.04507	4.4
105.07011	65.0
107.08584	40.3
109.06564	4.8
109.10164	15.2
117.06989	15.3
119.08575	58.8
121.10136	37.4
123.11768	5.5
123.69251	2.7
129.07036	8.1
131.08560	17.3
133.10129	44.7
134.10661	3.3
135.11676	39.6
135.12646	4.0
143.08562	11.0
145.10138	18.6
147.11676	54.3
149.09550	3.5
149.13239	24.1
157.10135	13.7
159.11690	22.5
161.03461	7.3
161.13246	41.9
163.11203	5.0
163.14780	4.9
171.11732	17.8
173.13268	13.2
175.14856	17.0
179.14291	5.2
185.13278	11.6
187.14944	3.1
199.06404	3.7
199.14838	6.6
213.07922	4.6
213.16336	5.6
217.07407	4.1
223.12802	2.9
229.07530	11.2
231.04109	7.0
231.08998	6.7
231.21135	9.1
241.19466	31.8
247.03619	3.5
247.08575	9.2
259.20572	100.0
260.20923	4.5
277.21616	5.5
289.21722	4.7
333.17276	4.8
351.09836	2.9
351.18509	15.5
351.25317	62.6
352.25528	3.8
369.19360	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.65370	0.5
66.91890	0.6
67.05511	0.7
70.70679	1.1
74.09745	0.5
95.04987	0.8
98.18559	0.6
104.07284	0.6
121.10139	0.5
145.86798	0.6
161.09689	0.6
179.06949	0.8
197.08127	0.7
236.59879	0.6
252.41325	0.6
273.72504	0.6
276.22482	0.5
333.20288	0.9
351.21393	100.0
352.21762	6.4
374.45551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03444	1.9
61.68113	0.3
67.05495	0.7
69.07053	1.8
70.31643	0.6
70.31995	0.5
71.04987	0.5
79.05485	1.0
81.07044	1.4
83.04969	0.6
91.05477	0.9
93.07050	0.8
95.04968	0.5
95.08595	1.5
97.06525	1.8
105.07039	1.2
107.08567	0.8
109.06461	0.4
109.10133	1.0
119.08540	0.9
121.10117	0.8
122.41596	0.3
123.08055	0.4
131.08521	0.7
133.10138	1.1
135.11667	0.6
142.07788	0.4
143.08623	0.6
145.10104	0.7
147.08031	0.4
147.11667	0.4
149.09572	0.5
149.13278	0.4
151.11166	0.6
157.10092	0.7
161.09639	2.8
163.11201	0.5
169.09956	0.4
171.11647	0.5
173.13210	0.6
175.11162	0.7
177.12698	0.5
179.10770	0.9
189.12746	0.5
191.14307	0.7
207.13785	0.7
213.12781	0.6
215.14244	0.7
219.03780	0.4
219.13805	1.2
235.13155	0.5
241.15845	0.4
269.21701	0.3
285.32047	0.4
289.17905	1.0
315.19516	2.5
327.92212	0.4
333.20322	1.3
351.21387	100.0
352.21671	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	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72789	0.3
67.05501	0.4
70.04487	0.9
81.53418	0.3
83.81848	0.3
88.38471	0.3
91.18958	0.4
98.22708	0.3
105.07018	0.4
114.63206	0.3
117.07156	0.3
123.77581	0.3
149.37347	0.3
275.74966	0.3
281.13614	0.7
310.93100	0.4
333.20410	0.5
351.21381	100.0
352.21701	6.8
352.28400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.216
Annotation	20-Aldehyde leukotriene B4
Peak:m/z	Relative Intensity
55.01858	6.5
55.05508	12.1
57.03431	65.5
57.07076	3.3
59.04987	2.4
67.05496	25.0
69.03426	12.4
69.06713	4.6
69.07065	68.9
70.28859	4.4
71.04981	7.3
77.03912	2.7
79.05483	33.6
80.05013	2.3
81.07049	50.2
83.04958	9.0
85.06541	3.4
91.05459	19.4
93.07046	22.1
95.04967	22.1
95.08604	49.2
97.06522	80.6
97.10210	2.2
99.04456	14.1
99.08058	2.9
101.05989	3.4
105.07019	40.8
107.04942	12.5
107.08584	34.5
108.18225	2.2
109.06506	13.4
109.10143	30.8
111.08110	3.9
113.06014	6.3
117.06981	7.8
119.08554	37.6
121.06485	7.4
121.10125	23.4
123.08057	26.5
123.11680	9.8
125.05977	9.5
125.09625	22.9
125.12350	2.4
126.06146	3.3
128.06184	4.2
129.06987	6.3
131.08575	18.5
133.06448	3.3
133.10104	43.4
135.08038	21.2
135.11729	11.0
137.09595	31.2
139.07544	3.0
139.11145	8.3
142.07759	5.7
143.08563	13.4
144.09297	2.9
145.10118	20.3
147.08067	10.6
147.11690	17.5
149.09616	17.0
149.13249	4.4
151.07573	3.4
151.11176	31.9
153.08992	3.2
155.08534	6.2
156.09315	8.3
157.10123	27.3
158.10872	6.4
158.72522	2.3
159.08047	5.7
159.11674	15.1
161.09605	100.0
161.13266	9.0
163.11195	13.0
163.14857	5.0
165.09123	5.9
165.12709	6.8
167.10593	4.3
169.10100	8.2
170.10913	4.3
171.11661	22.7
173.09621	15.9
173.13226	23.4
174.10416	3.9
175.11153	23.5
175.14810	4.6
176.11931	3.0
177.12704	14.4
179.10645	39.2
179.14235	5.0
181.10086	3.3
181.12247	3.4
183.11691	8.9
185.13249	20.8
187.11122	18.7
187.14836	8.2
189.12767	25.1
189.16348	3.0
191.10657	8.0
191.14288	27.6
193.10118	4.0
193.12128	4.9
194.10901	2.8
195.11668	4.7
196.12476	4.1
197.13188	11.2
199.11212	8.7
199.14841	8.3
201.12709	11.0
203.10759	5.3
203.14302	8.6
204.11301	2.9
205.12183	8.1
207.13788	38.7
208.12453	2.7
209.13361	5.2
209.15230	4.7
211.11453	3.3
211.14827	6.2
213.12762	14.8
213.16412	9.2
215.14325	15.7
217.12296	16.6
218.13005	14.9
219.13768	60.7
221.15269	2.4
223.14874	3.3
225.12782	5.5
225.14658	4.9
225.16533	3.6
227.14333	6.0
229.15871	10.5
231.13841	11.1
231.17487	3.9
233.15356	5.7
235.13260	19.6
237.14618	12.0
239.14381	2.5
241.15860	14.1
243.13914	2.9
243.17317	5.3
245.15347	5.3
247.16937	3.9
253.14359	8.1
255.17322	3.5
259.16956	11.9
269.19055	7.5
271.16901	11.6
273.18433	3.8
279.17395	3.5
287.20050	5.1
289.17975	38.4
292.22800	4.0
297.18417	11.9
305.21039	3.9
307.19052	16.4
315.19519	92.9
316.19858	9.6
333.20590	40.3
337.13742	2.5
351.21387	88.9
351.28854	4.8
352.21509	3.6
352.25241	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	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01864	7.1
55.05505	5.9
57.03437	3.4
57.07061	1.2
65.03924	0.5
67.05209	0.5
67.05502	6.3
69.07063	3.7
70.71291	0.7
71.04955	0.5
71.08625	0.5
76.35777	0.5
79.05483	8.1
81.07052	29.5
82.07395	0.5
83.04984	2.5
83.08603	1.3
85.06536	0.5
89.06968	0.5
91.05464	4.6
93.07030	5.8
95.04934	0.8
95.08580	5.7
97.06515	0.7
99.08103	0.7
105.07007	4.5
107.08594	4.8
109.06514	12.6
109.10128	2.6
111.04430	13.9
111.08053	0.7
117.06984	1.1
119.08571	6.0
121.10130	4.2
123.08062	2.4
123.11709	1.2
125.05988	3.6
131.08533	1.5
133.10104	4.5
135.08025	2.3
135.11668	5.1
137.05963	100.0
137.13237	1.7
138.06281	3.1
139.11176	0.7
142.07664	0.6
143.08569	1.4
145.10095	1.7
147.08040	1.9
147.11678	5.9
149.09583	3.9
149.13245	1.8
151.07535	2.2
151.11134	0.7
157.10120	1.7
159.11713	1.4
161.09592	5.4
161.13246	3.0
163.11169	3.5
165.09103	1.9
165.12720	0.6
171.11786	1.2
173.13210	0.8
175.11182	4.3
175.14828	1.8
177.12752	0.8
179.10706	2.4
181.12247	0.6
185.13318	0.8
189.12733	1.3
193.12234	1.8
195.11705	0.5
203.17921	5.5
205.19525	0.7
213.16347	2.8
221.18962	2.5
223.14885	0.7
231.17427	9.7
241.15834	1.1
241.19493	0.6
249.18457	9.8
250.18944	0.8
259.16724	0.5
259.20569	3.0
277.17960	41.0
278.18246	1.6
295.18976	5.0
348.24152	0.5
351.21576	7.7
351.25330	1.3
352.21701	0.9
365.26215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
53.03925	1.2
55.01863	2.2
55.05496	3.4
55.15385	0.8
56.37093	0.8
57.03434	13.0
57.07069	1.7
60.39346	0.8
65.03924	1.5
67.05499	48.8
69.03423	3.7
69.07064	3.6
69.75587	2.4
71.04996	2.5
79.05489	5.0
79.30024	0.7
81.03409	27.4
81.07059	4.3
83.04965	1.4
83.08596	1.4
85.02882	1.2
85.06532	8.5
91.05462	5.7
93.07027	9.3
95.04958	25.1
95.08614	4.3
97.06516	1.7
99.04443	4.8
99.08092	3.4
101.05984	0.9
105.07021	12.6
107.08582	10.1
107.09715	0.9
109.06506	3.1
109.10168	4.0
111.07984	1.0
113.05994	1.7
113.09654	1.6
115.05471	0.9
117.07020	2.1
119.08579	16.6
119.09423	1.5
121.06470	2.0
121.10132	35.6
122.10424	1.1
123.04426	5.1
123.08054	7.9
123.11690	1.3
125.09605	5.3
126.40508	0.7
126.85898	0.8
128.06174	0.9
129.06978	2.0
130.07782	0.9
131.08553	4.7
133.06512	0.9
133.10115	17.9
135.08041	2.5
135.11687	5.5
137.09592	4.9
137.13176	1.1
139.07484	2.3
140.51682	0.8
141.05426	1.8
141.07080	1.3
143.08533	2.8
145.06476	1.8
145.10101	4.4
147.08044	2.6
147.11661	4.2
148.50246	0.8
149.09612	2.9
149.13237	1.4
151.07565	1.3
151.11200	3.8
155.08539	1.8
157.10088	4.0
158.10876	0.9
159.08139	1.4
159.11670	4.1
161.09570	8.5
161.13222	0.9
163.11168	3.6
169.10170	1.7
171.08076	1.4
171.11696	1.7
173.09601	3.3
173.13210	4.3
175.11220	4.8
175.14798	17.5
176.15201	1.0
177.12784	3.9
181.10129	0.8
182.10826	1.0
183.11697	1.8
185.09616	1.6
185.13196	1.7
187.11200	4.0
187.14790	1.8
189.09186	1.3
189.12704	2.5
191.10574	1.2
191.14325	2.3
193.15846	19.7
195.11815	1.0
197.13252	2.8
199.11203	2.0
200.12021	1.1
201.12701	4.5
203.10686	1.4
205.12088	1.5
209.13216	1.0
211.11140	1.4
211.14799	1.3
213.12720	1.4
213.16483	0.8
213.53491	0.8
215.14336	2.9
217.12216	1.0
217.15881	3.2
223.14977	0.8
225.12779	2.0
225.16161	0.8
229.12294	8.1
229.15804	4.0
231.17369	1.3
233.15268	4.4
239.14267	3.3
241.15862	3.3
243.13757	1.2
247.13417	1.0
247.16942	5.0
253.15811	0.9
255.13779	1.2
255.17430	1.5
257.15424	1.2
259.17007	1.7
269.18954	1.1
271.16846	1.3
279.17435	1.3
289.18002	1.2
297.18463	7.8
315.19479	16.7
333.20551	11.9
351.21613	100.0
352.22018	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	351.2165
Annotation	14-Hydroxyvaginatin
Peak:m/z	Relative Intensity
55.01861	2.8
55.05508	8.0
57.03434	5.0
67.05504	3.6
69.03423	1.9
69.07061	5.0
69.45645	2.3
69.46052	2.3
71.04988	2.8
79.05489	5.4
81.03441	1.1
81.07043	2.7
83.04975	100.0
84.05322	1.8
85.06546	1.4
91.05478	3.2
93.07033	4.0
95.04947	4.0
95.08575	4.2
97.02887	0.9
97.06527	10.2
98.23444	1.8
99.04455	2.7
101.06030	1.2
105.07020	5.7
107.04941	1.2
107.08587	4.3
107.43346	0.8
109.06521	2.3
109.10167	2.9
113.06019	1.4
115.07596	0.9
117.07018	1.6
117.68271	0.8
119.08575	6.1
121.06501	1.3
121.10132	3.2
122.11597	0.7
123.08051	3.2
125.05998	1.9
125.09631	1.5
127.07524	1.2
128.06154	1.1
129.07050	1.2
131.08537	3.1
133.06490	1.0
133.10135	6.1
135.08060	3.4
135.11652	2.0
137.09616	2.5
141.06822	0.7
143.07013	1.4
143.08577	2.9
145.10115	5.9
147.08035	3.6
147.11710	3.8
149.09608	7.2
149.13254	0.9
151.07713	0.7
151.11153	5.3
153.12743	1.4
156.09352	1.6
157.10085	4.6
158.10956	2.4
159.08023	1.2
159.11679	3.4
161.09615	15.0
161.13252	1.3
163.07491	1.0
163.11145	1.6
165.12770	1.0
168.29604	0.8
169.10170	1.3
170.10974	1.0
171.11607	4.0
173.09627	2.2
173.13237	6.7
174.10371	1.0
175.11172	3.1
175.14632	0.9
177.09094	1.0
181.08636	1.8
181.10115	1.1
183.11665	2.0
184.12413	0.9
185.09561	1.3
185.13231	6.1
186.10452	1.6
187.11192	3.3
187.14833	3.0
189.09109	1.4
189.12685	4.9
191.10651	2.0
191.14285	3.2
195.11632	1.5
197.13275	0.9
199.14803	1.9
201.12708	4.1
201.16373	1.2
203.10652	2.6
203.14284	2.9
207.11905	0.9
207.13791	2.5
209.11604	1.1
209.13396	1.1
213.12585	4.0
215.14290	4.5
217.12297	1.2
217.15846	1.6
221.15500	1.4
225.16444	1.0
227.14317	7.6
229.12283	1.2
229.15816	7.5
230.16328	1.1
231.13795	16.2
233.15465	1.4
237.16409	1.4
241.15790	1.1
245.15355	35.6
245.64226	0.8
246.15683	2.0
255.13676	1.1
255.17500	4.1
259.16882	1.2
263.16443	2.3
269.18781	1.0
273.18454	0.9
279.17416	2.7
287.20209	1.0
297.18457	6.8
303.19427	1.2
315.19543	6.9
333.20605	5.8
351.21637	14.2
351.29431	1.3
352.22183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71674	0.4
55.01862	6.4
55.03233	0.4
55.05506	4.7
57.03434	2.9
57.07058	1.1
67.05505	4.8
69.07063	4.0
71.08611	0.5
79.05491	6.4
81.07052	33.6
83.04975	2.5
83.08602	2.0
91.05479	2.8
93.07050	4.1
95.04927	0.6
95.08597	5.6
97.06531	1.0
98.23478	1.5
105.04501	0.4
105.07026	3.4
107.08597	4.3
109.05762	1.0
109.06504	13.2
109.10157	3.3
111.04440	14.4
111.08086	0.6
119.08556	4.7
121.10130	3.9
123.08077	1.8
123.11707	1.4
124.47858	0.4
125.05994	4.5
131.08563	1.3
131.26421	0.4
133.10124	3.6
135.08049	1.5
135.11682	3.2
137.05968	100.0
137.13246	1.6
137.36438	0.4
138.06296	2.2
139.07646	0.4
143.08549	1.4
145.10117	1.4
147.08026	1.3
147.11682	6.3
149.09627	3.7
149.13240	1.9
151.07483	2.2
151.11172	0.8
153.18388	0.4
157.10094	1.5
157.90714	0.4
159.07976	0.6
161.09602	5.9
161.13254	2.5
163.11165	2.9
163.14796	1.0
165.09113	2.6
167.10754	0.6
171.11726	1.0
173.13277	0.6
175.11145	4.0
175.14798	1.3
177.12796	0.4
179.10645	2.0
179.14206	0.5
185.13364	0.4
189.12720	1.5
193.12233	1.1
195.90308	0.5
203.17903	5.7
205.19507	1.0
213.16350	2.4
221.19063	2.3
223.14848	0.7
231.17421	9.7
241.15836	1.2
249.18492	9.5
250.18800	0.7
259.20526	1.0
273.18097	0.4
277.17972	37.1
278.18240	2.3
278.81384	0.5
284.56940	0.6
295.19028	3.9
323.13412	0.5
351.21597	7.0
351.25375	0.6
352.21906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2319
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
52.08549	3.9
55.05515	12.8
55.07041	4.1
59.04966	4.9
67.05495	26.9
69.07075	15.8
70.75481	4.0
71.43176	4.9
79.05497	17.9
81.07058	30.8
83.08623	8.8
84.67475	4.3
91.05481	25.3
93.07035	35.6
95.04977	15.2
95.08608	36.6
105.04538	7.4
105.07024	54.2
107.08586	39.3
109.10134	26.9
111.04463	4.9
111.08103	10.2
117.07025	13.0
118.54295	4.8
119.08596	52.3
120.09436	4.7
121.06489	6.2
121.10150	63.5
122.10542	4.7
123.08092	9.9
123.11730	8.4
128.06241	6.2
129.06990	13.6
131.08568	29.8
133.10117	29.8
135.08047	5.2
135.11708	17.6
137.05992	20.2
137.09610	4.6
142.07773	11.1
143.08562	21.6
144.09325	9.7
145.10118	43.2
147.11696	15.4
147.21136	5.2
149.09601	6.7
149.13211	5.7
151.76787	4.3
151.99559	4.5
155.08592	10.0
156.09315	13.6
157.10109	38.0
158.10916	6.4
159.08090	9.0
159.11650	27.7
161.03468	20.8
161.13281	6.1
165.07001	5.5
167.08621	5.3
168.09236	4.9
169.10135	15.3
170.10860	6.4
171.11732	19.3
173.09656	5.4
173.13293	21.1
181.10117	13.8
181.69489	5.2
182.10902	6.4
183.11700	26.7
185.13234	11.9
187.14812	19.6
193.10208	6.7
194.10815	4.8
195.11736	19.2
197.13283	17.2
199.14995	12.5
200.15503	4.6
209.09492	4.6
209.13200	23.6
211.11241	9.7
211.14848	9.3
219.04092	8.3
221.13242	4.9
223.11157	6.2
223.14828	12.5
225.16533	6.1
229.12231	14.5
231.04039	18.7
235.14854	5.5
237.16461	7.9
239.17870	7.9
252.18765	4.9
265.19550	12.9
280.21713	4.8
295.16864	5.7
305.22614	5.6
333.22174	15.1
351.23233	100.0
352.23746	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01878	2.7
55.05509	18.2
57.03432	5.7
57.07072	3.7
64.63294	1.8
65.03970	2.2
67.05501	49.0
69.07076	13.6
70.28629	4.3
71.05002	2.6
76.92017	1.9
77.03925	2.8
77.98452	2.1
79.05492	65.9
79.05956	4.3
81.07054	56.9
83.04996	2.4
83.08624	7.0
85.06568	3.9
91.05480	68.3
91.06055	3.3
93.07042	75.0
93.07607	4.1
95.04980	8.8
95.08603	33.8
97.06532	4.9
97.18550	1.8
99.08073	3.7
105.04530	2.2
105.07027	68.8
107.08592	48.4
109.06532	2.6
109.10136	11.4
111.09940	2.1
113.09644	2.8
117.07026	15.8
118.52837	1.8
119.08576	63.8
121.10136	39.5
122.10465	2.1
123.11720	3.9
127.72836	2.0
129.06976	11.9
131.08548	26.4
133.10129	53.4
133.11151	2.6
134.10446	2.1
135.11682	39.4
137.09625	3.6
139.11253	2.2
143.08617	10.3
145.10107	24.3
147.11685	60.0
149.09612	2.3
149.13251	20.8
157.10149	11.8
159.11685	21.0
161.13245	46.8
163.11186	2.8
163.14824	6.8
171.11691	17.3
173.13268	15.2
175.14827	24.7
177.12805	3.6
185.13222	15.8
187.14838	3.4
189.12759	2.8
189.16281	2.2
195.09872	2.8
199.14835	9.7
203.14401	2.0
213.16454	5.1
214.87787	1.9
215.18051	3.3
231.17525	2.6
231.21129	8.4
241.19489	36.2
259.20569	100.0
260.20978	9.5
277.21738	5.0
279.04608	2.1
316.19766	2.8
333.24231	3.6
351.21460	5.2
351.25253	60.1
352.25647	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01881	6.1
55.05511	28.9
57.03435	17.0
57.07071	4.0
58.99487	1.8
64.32741	1.8
65.03922	2.1
66.92494	2.0
67.05501	100.0
69.07062	20.5
69.44101	9.3
71.04993	3.5
71.08624	5.4
79.05487	66.8
80.94870	4.3
81.06571	3.4
81.07052	65.2
83.04987	4.6
83.08608	13.1
85.06548	6.0
91.05475	56.2
93.07039	72.3
95.04944	9.5
95.08600	41.2
97.06532	7.9
97.10165	10.6
99.08095	4.2
105.04510	4.6
105.07011	49.3
107.08594	61.8
109.06512	4.9
109.10150	29.2
111.08067	2.9
116.70794	1.7
117.06997	14.8
119.08575	45.8
121.06537	2.6
121.10135	29.0
123.11730	4.4
125.09647	7.1
129.07008	7.9
131.08554	18.3
133.10120	42.3
135.08083	3.0
135.11674	36.4
137.09599	2.5
143.08569	6.4
145.10114	19.8
147.11684	40.2
148.12051	2.1
149.13272	20.2
151.11092	4.8
157.10161	4.7
159.11690	17.7
161.13261	26.5
163.11133	3.5
163.14824	5.7
170.98209	1.9
171.11751	9.2
172.12312	2.1
173.11842	2.7
173.13249	7.4
175.14828	13.6
177.12660	2.9
179.14302	4.3
185.13225	11.9
187.14928	2.3
189.11205	5.3
189.12808	2.8
199.14825	5.5
203.14320	3.4
220.17865	2.7
221.18048	2.4
224.12929	2.3
231.21092	6.7
241.19502	22.3
259.20551	70.2
259.23172	4.4
260.20941	4.4
265.14307	2.2
277.21576	15.6
330.88297	2.3
333.24121	2.6
351.25247	58.7
352.25543	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01862	1.8
55.05507	19.1
57.03429	8.7
57.07064	3.7
65.03934	3.3
67.05499	48.2
69.07061	15.8
71.04975	3.6
71.26006	2.1
75.04460	2.1
77.03917	1.6
79.05486	75.6
80.05827	1.2
81.06563	3.1
81.07050	64.1
83.08595	8.3
85.06533	4.7
86.99266	1.3
91.05474	54.9
93.07036	93.9
95.04985	9.8
95.08598	41.7
97.06531	3.8
97.10173	2.6
99.08084	5.2
105.04546	1.7
105.07021	58.1
106.07339	1.7
107.08585	55.1
109.06513	1.9
109.10158	13.4
111.08104	1.8
113.09608	1.4
117.07023	14.6
119.08570	54.0
121.06473	1.3
121.09269	2.3
121.10139	44.3
123.11695	6.4
124.67139	1.5
127.90925	1.4
128.06145	1.6
129.06984	9.4
131.08559	21.9
133.10121	43.8
134.10504	1.8
135.08040	2.4
135.11681	42.9
137.09596	2.1
143.08525	9.0
145.10115	19.3
147.11678	48.6
149.09604	3.8
149.13243	30.2
151.11137	1.8
155.62849	1.8
157.10110	13.0
159.11687	20.2
161.09647	2.8
161.13243	41.5
161.14526	3.0
163.11212	3.0
163.14816	11.0
171.11670	12.7
173.13255	12.7
175.11168	3.4
175.14804	22.1
177.12741	3.6
179.14200	1.6
181.12384	1.7
185.13252	13.6
187.14838	2.5
189.12796	2.4
199.14830	10.2
203.14308	2.1
205.08258	1.3
212.90164	1.5
213.16406	3.7
217.15796	1.5
217.19531	5.5
221.15581	1.4
231.17400	3.1
231.21028	8.1
235.16988	2.2
241.19513	39.8
241.21884	2.8
243.20988	1.4
256.53287	1.4
259.20563	100.0
260.20895	4.5
261.22070	1.5
267.29367	1.5
277.21588	17.7
333.24173	9.3
351.25296	65.5
352.25620	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01851	2.0
55.05508	19.9
57.03438	10.0
57.07074	3.9
58.22808	1.8
65.03923	2.6
67.05499	63.4
69.07057	21.1
70.15540	6.5
71.04985	3.0
71.08619	6.1
73.90488	2.2
79.05489	70.3
79.05949	3.6
80.94862	3.3
81.07050	66.3
83.04974	3.9
83.08619	9.8
83.92165	2.4
85.06546	3.4
91.05476	53.6
93.07038	100.0
94.07365	3.4
95.04961	7.8
95.08607	43.4
97.06534	4.5
97.10165	5.0
98.23438	2.5
99.08087	6.7
105.04532	5.2
105.07020	61.5
107.08588	55.7
109.06503	2.7
109.10148	17.1
117.07026	13.5
119.08576	57.1
121.10141	47.2
123.11708	5.2
129.07005	8.8
131.08586	20.1
133.10121	58.3
135.11674	40.4
140.67592	2.3
143.08548	7.9
145.10126	26.2
147.11684	56.4
149.13237	27.3
151.11237	5.5
157.10101	8.8
159.11697	19.5
161.03537	2.7
161.13258	39.7
163.11188	2.9
163.14821	10.0
171.11693	11.9
173.13281	9.5
175.14775	14.0
177.12848	2.4
179.14287	5.4
185.13272	10.5
199.14896	7.7
213.16389	5.0
217.19608	3.3
231.04097	2.3
231.17436	4.6
231.21101	5.6
241.19496	32.8
259.20572	94.2
260.20880	5.4
277.21591	15.8
312.58066	2.6
333.24142	4.4
351.25278	64.0
352.25409	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01854	3.7
55.05509	25.7
57.03431	9.9
57.07070	3.2
65.03927	4.4
67.05498	68.1
69.07062	20.1
70.18033	2.2
70.67896	4.3
71.04990	8.6
71.08614	4.8
79.05486	77.4
79.05948	4.6
81.06561	3.4
81.07050	71.7
83.04973	9.2
83.08605	12.2
85.06543	3.4
91.05470	55.4
93.07036	100.0
94.07375	3.1
95.04948	11.5
95.08019	4.0
95.08598	46.6
97.06516	5.9
97.10171	2.4
99.08091	5.1
105.04491	2.3
105.07014	53.3
107.08586	61.1
109.06527	11.3
109.10151	18.6
111.04431	6.7
111.08051	2.6
113.09648	3.1
114.63682	2.0
117.07024	11.0
119.08567	45.2
121.06451	2.2
121.10136	56.5
123.08064	2.7
123.11717	5.4
125.09658	2.5
129.06999	9.3
129.66335	2.2
130.18889	2.0
131.08546	23.1
133.10106	41.7
135.11678	48.3
137.05959	36.0
137.09587	4.1
143.08536	9.6
145.10112	22.4
147.11671	37.5
149.13252	22.4
151.11192	3.9
155.08542	3.0
157.10107	8.8
159.11688	21.0
161.13248	29.0
163.11162	4.7
163.14812	7.2
165.12723	4.9
167.08525	4.7
167.10629	2.4
169.10100	3.6
171.11650	11.9
173.13243	8.1
175.14778	12.7
177.12726	3.7
181.10155	4.0
185.13243	9.6
195.11731	2.4
195.13776	2.2
199.14835	6.5
200.47684	2.2
203.14346	3.2
209.13174	2.6
213.16342	5.8
217.15750	2.3
221.13225	3.0
221.15407	2.2
227.12706	2.7
231.17458	3.1
231.21013	3.7
241.19482	20.3
249.18518	3.8
253.15837	2.5
259.20547	78.4
260.20822	3.2
277.18042	8.8
277.21606	16.9
295.19022	4.4
333.24280	6.4
351.25693	51.3
352.25839	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01868	13.6
55.05260	2.6
55.05510	34.3
57.03435	25.2
57.07068	7.7
65.03941	3.7
67.05499	89.8
69.03433	1.9
69.07066	30.0
70.34097	2.9
70.34391	1.8
71.04998	3.8
71.08629	54.0
73.40621	1.7
76.87171	1.7
77.03929	2.1
79.05487	67.2
79.05953	3.5
80.05832	1.7
81.03410	11.0
81.07052	87.5
83.04974	16.0
83.08614	15.1
85.06536	2.7
91.05476	48.1
93.07039	73.9
95.04961	18.2
95.08599	49.4
96.08945	1.9
97.06528	22.6
97.10147	8.1
99.07452	2.7
99.08087	38.6
105.04535	5.7
105.07021	36.6
107.04958	7.1
107.08585	45.0
109.06511	6.3
109.10149	25.1
111.08101	6.4
113.09621	4.1
117.07017	5.8
119.08580	28.6
121.10131	37.5
123.08090	4.5
123.11746	3.9
125.09624	4.3
129.07039	2.5
131.08588	7.1
133.10117	27.3
135.08110	2.4
135.11691	46.5
137.09590	4.4
139.11188	3.0
141.09042	3.3
143.08603	4.7
145.10124	7.5
147.11659	19.3
147.12514	1.5
149.09619	2.2
149.13234	18.9
151.11171	22.7
154.70872	1.9
157.10072	1.9
159.11761	8.6
161.03433	2.1
161.09605	2.4
161.13268	18.2
163.11165	7.4
163.14833	4.5
165.12737	5.3
167.10660	3.6
167.14276	1.6
171.11711	6.0
173.13286	3.8
175.14799	4.6
177.12761	3.5
178.40233	1.9
179.14293	100.0
180.14618	5.5
185.13263	5.9
187.14789	1.8
189.12749	4.6
221.15384	4.1
231.03986	3.3
231.21062	2.5
235.16931	4.1
241.19554	3.3
249.22208	1.7
259.20547	15.0
277.21606	44.1
277.24533	3.5
278.22156	3.1
292.69193	2.0
294.40628	1.9
351.21432	2.4
351.25253	48.7
352.25613	3.1
354.78461	1.9
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
53.03946	4.9
53.51154	3.9
55.01867	37.4
55.05504	35.1
56.85519	4.3
57.03429	35.6
57.07069	11.4
67.05162	5.9
67.05498	77.4
69.07061	53.3
71.04983	7.3
71.59621	4.0
79.05483	76.9
80.94830	6.6
81.07056	100.0
83.04967	8.9
83.08619	16.2
85.06548	13.3
91.05482	65.7
93.07041	89.2
95.04948	11.9
95.08603	67.8
97.06516	43.2
97.10134	5.9
99.08112	7.7
105.07011	52.7
107.07918	6.7
107.08589	63.4
109.06526	7.3
109.10139	26.7
111.08065	11.1
117.07009	11.5
119.08575	47.9
121.06530	9.5
121.10153	38.8
123.08065	8.5
123.11684	9.8
125.09629	9.6
129.06976	10.3
130.51738	4.4
131.08554	24.7
133.10118	39.8
133.42911	4.7
135.11676	40.3
137.09581	10.7
143.08560	10.0
145.06471	7.4
145.10133	14.7
147.11668	53.2
149.13242	23.4
151.11162	10.5
159.11714	12.7
161.03488	5.5
161.13240	32.5
163.11145	10.9
163.14824	12.3
165.12749	13.7
171.11725	16.1
173.13322	5.3
175.14857	13.2
185.13254	10.5
187.14871	5.2
189.12675	6.1
199.14803	7.9
205.15900	5.1
207.13840	5.3
215.06970	9.2
221.19022	4.6
231.03922	5.5
241.19519	16.1
249.22049	5.1
259.20563	50.6
277.21542	49.0
278.21765	5.5
333.24298	6.6
351.21347	7.7
351.25146	85.2
352.25775	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	351.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01871	1.7
55.05511	40.7
57.03436	25.4
57.07076	8.7
65.03928	2.6
66.11838	0.9
67.05504	59.5
68.05838	1.1
69.03419	1.2
69.07066	56.4
70.07397	1.2
71.04983	2.6
71.08632	3.9
79.05488	20.4
81.07055	92.2
82.07394	1.8
83.04964	2.1
83.08619	28.4
85.06543	1.4
85.10172	1.5
91.05489	11.4
93.07037	18.4
95.08604	74.3
96.08921	1.8
97.06530	4.2
97.10173	15.9
98.22630	2.0
99.08067	1.6
105.07024	9.0
107.08583	14.0
109.06532	1.5
109.10149	31.4
111.08086	2.5
111.11718	3.5
119.08564	8.3
121.10126	11.5
122.10446	0.8
123.11705	13.4
125.09628	1.5
133.10110	5.9
135.11685	6.3
137.09573	2.1
137.13229	6.1
139.11163	1.9
147.11678	6.4
149.13271	3.3
151.11041	0.9
151.14827	3.5
158.99860	0.8
161.13281	3.6
163.14833	2.3
165.12643	0.9
165.16498	1.2
175.14873	2.3
177.16364	2.3
189.16444	2.1
193.15816	1.1
259.24207	3.0
277.25259	8.7
297.82703	0.8
313.22461	0.9
334.53687	0.8
351.28915	100.0
352.29193	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	351.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01855	1.3
55.05508	45.9
57.03433	24.1
57.06826	0.7
57.07076	11.0
59.04993	0.9
59.81803	0.6
65.03941	1.9
67.05499	66.4
68.05840	1.6
68.76305	0.7
69.07063	58.1
70.07415	0.9
70.73439	0.6
71.04980	2.3
71.08634	3.6
77.03918	1.0
79.05487	22.2
81.07050	100.0
82.07399	1.2
83.04990	1.8
83.08612	27.9
85.06541	2.4
85.10167	1.3
91.05471	12.1
93.07036	20.1
95.04955	2.1
95.08598	78.1
96.08942	2.0
97.06519	6.0
97.10158	15.9
98.22721	2.6
99.08072	2.0
105.07024	11.3
107.08578	13.3
109.06530	0.9
109.10146	32.2
111.08081	2.1
111.11720	3.6
113.09637	1.1
119.08578	9.7
121.10133	11.8
122.10441	0.9
123.08076	1.0
123.11685	12.1
125.09602	1.3
131.08553	1.1
133.10130	6.7
135.11687	6.4
137.09599	1.2
137.13237	6.8
139.11180	1.3
147.11671	4.8
149.13225	3.5
151.11183	1.7
151.14806	3.0
153.12692	1.4
161.13225	4.6
163.14778	2.4
165.12801	1.0
165.16335	1.1
175.14816	2.1
177.16422	2.1
179.17969	1.3
189.16389	1.7
191.17912	1.1
207.17430	1.5
221.18912	0.9
259.24286	3.1
277.25214	9.8
351.28903	95.4
352.29282	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	353.0842
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
68.36195	4.3
71.00233	5.9
77.80026	3.9
161.75209	4.2
227.89410	4.4
230.94954	5.1
243.82626	4.5
272.06534	8.9
353.08459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65700	0.5
55.05513	0.5
69.03425	1.2
69.07069	1.1
69.14120	0.9
69.14526	2.8
81.07085	0.5
83.08627	0.6
85.02903	1.1
91.05502	0.6
96.40995	0.5
107.08602	1.0
119.08603	0.8
119.56919	0.5
121.10179	0.7
123.08083	1.1
131.08577	0.9
133.10091	0.9
135.08096	0.8
149.09622	0.7
158.11005	0.6
161.26942	0.5
173.05777	3.7
173.13281	1.0
183.66534	0.6
185.04204	8.1
191.14285	9.0
203.05263	30.0
231.04753	16.3
321.26239	0.5
353.12045	100.0
354.12424	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	353.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20385	4.3
71.20168	0.6
76.39462	0.7
81.14308	0.6
85.02896	0.7
95.05989	0.6
98.22774	1.4
103.72829	0.6
135.89835	0.7
139.03932	0.8
143.84636	0.6
144.10197	5.2
173.05617	0.7
185.04207	14.9
185.05835	0.8
187.07796	2.3
191.03154	3.3
192.13918	3.4
201.03757	0.7
203.05260	30.7
204.05608	0.8
237.37550	0.7
249.07570	1.2
272.06522	2.8
353.08279	13.5
353.12012	100.0
354.08569	1.3
354.12402	5.8
354.18979	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	353.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97906	0.7
54.45759	0.8
57.03426	1.2
67.05487	1.2
79.05515	1.0
81.07057	1.2
83.04958	3.0
86.14859	0.7
91.05458	1.1
97.06487	1.1
105.07026	1.3
107.08591	0.9
111.00563	1.3
119.08550	1.2
121.10138	2.4
123.11740	0.7
133.10095	0.9
135.11676	1.1
142.77342	0.7
157.01070	57.1
158.01540	0.8
159.11693	0.8
173.13281	0.7
175.14842	1.2
183.11774	0.7
191.03322	1.0
197.13358	0.7
219.13557	3.9
237.14613	23.6
238.14809	1.0
247.16940	1.6
255.14299	1.5
317.21121	1.9
335.14670	13.9
353.15668	100.0
354.16003	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.57681	0.6
55.01862	0.7
55.05505	3.0
57.03434	3.1
57.07067	0.6
59.04994	0.7
61.02906	1.2
61.62064	0.6
67.05486	2.5
69.03421	18.1
69.06709	1.2
69.07059	15.6
69.40901	2.5
70.31884	0.6
71.04977	1.8
73.02901	0.8
75.24200	0.6
75.96895	0.5
79.05477	2.1
81.03413	2.5
81.07049	5.9
83.04974	3.0
83.08599	2.3
84.04491	0.8
85.02406	1.1
85.02896	15.6
85.06552	1.0
86.04133	0.6
87.04457	1.1
91.05478	6.5
93.07043	4.3
95.04931	1.1
95.08586	5.9
97.02884	3.1
97.06500	1.3
99.04438	1.0
105.07017	6.1
107.04887	0.6
107.08590	12.0
109.02860	1.7
109.06498	2.7
109.10101	1.2
111.04444	1.0
111.08075	4.7
117.06963	0.7
119.04931	4.3
119.08565	5.1
121.06490	2.4
121.10152	8.2
123.08044	4.9
127.03893	3.9
129.06671	1.0
131.08540	8.3
133.02913	0.8
133.06425	0.8
133.10124	7.3
135.08038	18.4
135.11671	3.1
137.05937	1.8
137.09566	1.0
143.08551	1.5
145.04950	0.8
145.10112	3.3
147.04395	4.2
147.08075	1.0
147.11674	2.8
149.09592	5.6
149.13252	3.1
158.10864	3.4
163.14810	3.1
173.13240	19.6
173.14743	1.1
174.13577	1.0
175.03856	5.2
175.14854	1.3
179.03311	1.2
191.14284	100.0
192.14664	4.3
194.41946	0.6
207.06474	8.4
207.08305	1.1
310.49619	0.7
311.09058	1.1
353.11905	2.6
353.19626	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33285	0.4
69.85664	1.1
79.05510	0.3
80.04998	0.4
81.07042	0.4
89.68889	0.3
94.56875	0.3
105.07018	0.4
107.08561	0.4
109.10059	0.4
117.45171	0.3
138.14966	0.3
142.25119	0.4
147.11682	0.4
163.03998	0.3
173.13252	0.4
191.03365	1.0
195.09828	0.5
226.84438	0.4
243.14293	0.4
293.23303	0.4
295.09424	0.6
335.21368	0.5
353.22940	100.0
354.23291	5.5
374.49759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
60.82922	0.6
67.05495	1.6
69.07072	1.1
71.20194	1.0
72.49086	0.6
79.05486	2.6
80.35437	0.6
81.07040	2.8
91.05463	1.6
93.07061	1.8
94.07351	0.8
95.08617	1.2
105.07019	2.2
106.07318	0.7
107.08591	1.9
108.62988	0.6
109.10192	1.0
119.08605	1.8
120.08896	0.7
121.10140	1.9
124.96632	0.6
133.10130	1.0
135.11658	0.9
145.10088	1.4
147.11621	0.9
157.10143	0.7
163.03888	0.9
191.03374	2.3
261.21182	1.9
293.20844	0.9
295.09695	1.3
301.21576	0.8
319.22461	0.7
326.21686	0.7
335.21848	2.2
353.17279	7.1
353.22903	100.0
354.23212	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57384	0.6
53.04435	0.6
53.60558	0.6
63.20821	0.6
67.05494	0.8
69.40654	3.3
79.05479	0.8
93.07036	1.0
95.08628	0.6
103.97240	0.7
105.07018	0.7
109.10177	0.6
111.08076	0.7
135.04472	0.8
168.27950	0.6
169.87486	0.7
183.92101	0.6
191.03391	1.4
295.09564	0.8
353.22940	100.0
354.23248	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	353.232
Annotation	Neorustmicin C
Peak:m/z	Relative Intensity
52.29653	2.1
55.05504	3.6
57.03435	35.2
58.41232	2.4
64.07195	2.1
67.05508	9.8
69.07071	7.3
69.70029	4.1
69.70372	7.4
71.05006	5.2
79.05488	29.1
81.07051	100.0
83.04980	2.8
84.27287	2.2
85.06536	19.1
91.05488	5.0
93.07042	10.4
95.04950	10.9
95.08594	11.0
97.06528	7.2
99.08099	2.4
105.07013	14.0
107.08589	19.5
109.06499	3.8
109.10163	9.6
117.07014	4.3
119.08577	15.4
121.10155	10.5
123.08065	6.4
125.09595	11.6
129.06973	2.6
131.08562	8.4
132.87207	2.3
133.10109	21.2
135.11763	5.6
137.08745	2.4
137.09560	12.0
141.09137	3.2
142.07813	2.4
143.08568	4.8
145.10104	17.2
147.08020	2.9
147.11700	9.9
149.09642	7.4
151.11171	4.3
157.10112	9.0
159.11662	12.3
161.09607	21.8
161.13190	5.8
163.11189	10.4
169.10138	5.2
170.10951	2.5
171.11714	7.3
171.95738	2.2
173.09645	5.5
173.13260	5.3
175.11194	10.1
175.14864	2.7
177.12781	7.9
179.10645	20.0
179.24356	2.1
181.12241	3.4
183.11696	6.2
185.13272	6.2
187.11200	2.7
187.15059	2.6
189.12746	4.4
191.14282	2.9
193.12170	3.0
193.98022	2.4
195.11714	2.4
197.13249	5.5
199.14832	2.9
201.12759	3.6
201.16376	2.7
203.14395	4.5
211.14992	3.2
213.16434	4.3
215.14279	7.1
219.13736	18.4
225.16429	7.9
229.15910	4.0
231.17480	5.0
237.14786	15.3
241.16086	2.8
243.17416	7.9
269.18906	3.0
271.20572	3.0
281.18878	3.9
287.20114	9.5
299.20007	11.1
305.21136	22.0
317.21060	61.4
335.22159	89.1
336.22510	6.0
353.22495	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	353.232
Annotation	Narbonolide
Peak:m/z	Relative Intensity
50.83276	1.1
55.01862	2.8
55.05507	10.0
57.03423	3.9
67.05495	7.3
69.03416	1.5
69.07067	7.9
70.66059	1.2
71.05000	1.7
79.05470	7.0
81.03395	2.0
81.07051	10.4
83.04972	100.0
83.08624	2.2
91.05476	5.1
93.07037	7.8
95.04966	6.5
95.08595	6.7
97.06513	15.3
99.08064	1.9
101.06006	2.3
105.07009	8.2
107.08594	6.5
109.06517	2.9
109.10140	4.5
111.08053	1.7
113.00051	1.1
113.05969	2.0
115.05407	1.7
117.06944	1.9
119.08553	9.2
121.06509	2.3
121.10123	13.6
123.08064	6.7
125.05977	4.9
125.09681	1.4
127.07523	1.4
131.08528	6.2
133.10127	9.7
135.08022	2.8
135.11688	3.4
137.05951	1.4
137.09598	6.0
143.06993	8.8
143.08617	2.4
145.09009	1.1
145.10062	7.6
147.08017	1.9
147.11717	4.0
149.09592	8.6
149.13219	1.5
151.11154	2.7
156.09320	1.8
157.10112	3.3
159.07976	1.6
159.11659	4.0
161.09599	20.1
161.13257	1.9
162.06729	1.3
162.10022	1.1
163.11180	5.6
168.15558	1.3
169.10121	1.8
171.11700	3.3
173.09563	3.2
173.13254	4.7
175.11186	4.0
175.14844	5.7
177.12706	2.1
181.12245	1.6
183.11627	3.3
185.13156	2.5
187.11174	3.6
187.14819	4.1
189.12723	3.4
191.03377	2.3
191.10580	6.1
191.14302	2.7
193.15871	7.0
195.11604	1.3
196.12495	1.4
197.13258	2.4
198.10199	1.4
201.12686	2.3
201.16380	3.9
203.14165	1.4
205.15923	1.4
209.11569	1.6
211.14813	4.1
213.12738	4.5
213.16382	8.2
215.14322	2.7
215.17924	5.9
217.15851	8.0
224.11012	1.2
225.16168	1.3
227.14388	1.4
229.15878	9.9
231.13811	10.2
231.17467	3.0
235.16875	1.3
235.64923	1.3
247.16901	26.2
248.17223	1.3
261.14716	1.3
271.20483	1.8
273.18375	1.3
274.98788	1.2
281.18961	4.1
295.09680	1.3
299.20059	8.1
310.23669	1.6
317.21115	10.3
325.10623	1.3
335.22137	9.5
353.10309	2.5
353.14899	5.0
353.23163	37.5
353.29626	1.7
354.23215	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.10161	1.8
52.52969	1.9
53.03968	2.4
55.01883	2.3
55.05505	16.0
57.03437	5.5
57.06776	2.2
57.07065	6.5
60.58029	1.9
65.03950	4.7
67.05501	98.6
69.07056	14.8
71.05000	2.7
71.08637	6.6
79.05484	61.9
80.94819	3.0
81.07054	100.0
82.07416	2.2
83.05004	3.9
83.08631	10.1
85.06522	4.1
90.69949	2.5
91.05474	32.3
93.07038	77.5
95.04971	6.2
95.08604	71.6
95.26604	2.0
97.06538	4.7
97.10168	6.8
97.70651	2.0
98.23300	2.5
99.08102	3.8
105.07030	24.2
107.08591	41.1
109.06495	2.4
109.10143	29.7
113.09659	3.5
117.06999	11.5
119.08562	20.8
121.10145	36.6
123.11678	14.0
125.09631	2.3
129.07057	2.3
131.08566	25.3
133.10135	10.8
135.11702	27.7
137.13274	6.8
139.71964	1.9
145.10121	18.4
147.11668	12.4
149.13264	21.5
151.14795	2.9
153.12848	2.4
159.11659	13.5
161.13293	10.6
163.03873	2.9
163.14838	21.3
171.11839	2.4
173.13263	16.7
175.14830	3.5
177.12785	2.5
177.16383	7.6
179.14433	3.0
187.14796	12.6
191.03395	9.9
208.80571	2.2
219.17432	2.3
233.22586	6.5
243.21086	33.0
244.21329	2.4
261.22125	80.8
262.22501	7.1
268.57806	2.1
279.23157	5.4
282.29071	1.8
295.09631	3.5
335.01056	2.1
335.25873	7.2
353.11694	1.9
353.26550	10.0
354.33383	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03928	1.6
55.05256	1.8
55.05506	16.7
57.03430	6.5
57.07065	4.7
65.03941	3.3
66.41293	1.1
67.05500	92.0
68.05837	1.7
69.07062	12.5
69.39081	2.3
69.39467	2.6
71.04985	2.3
71.08630	2.1
75.04459	2.2
77.03934	1.9
79.05488	42.4
79.05952	2.1
81.07050	100.0
82.07386	1.7
83.08601	8.5
85.06526	4.1
91.05474	20.8
93.07038	53.4
95.04952	2.8
95.08598	72.0
96.08928	2.3
97.06525	4.1
97.10181	3.6
99.08097	2.0
105.04510	1.5
105.07016	16.6
107.08582	36.1
108.08877	1.2
109.06480	2.0
109.10148	39.1
110.10487	1.2
111.08122	1.4
111.11708	1.4
113.09667	1.7
117.07014	10.2
119.08580	14.4
121.10133	32.0
123.08065	1.7
123.11696	23.0
131.08557	19.8
133.10120	13.0
135.11690	25.7
137.09616	2.0
137.13231	7.3
139.11156	1.4
145.10112	15.2
147.11682	9.6
149.09586	1.4
149.13239	20.4
151.11168	1.4
151.14789	2.4
153.12714	1.4
159.11678	14.8
161.13266	9.4
163.11258	1.2
163.14798	12.4
165.12746	1.3
173.13252	18.2
175.14877	2.3
177.12663	1.2
177.16408	2.8
177.82500	1.0
179.02525	1.1
187.14847	10.2
189.16487	1.6
191.14279	1.6
201.16284	1.6
205.15808	1.3
229.63916	1.0
233.22647	3.6
243.21049	22.1
244.21535	1.7
261.22116	84.5
262.22375	6.1
279.23166	6.6
317.24774	1.9
335.25766	10.2
353.26807	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01841	1.4
55.05506	12.9
55.66880	0.8
57.03436	3.2
57.07074	5.3
59.25078	1.0
65.03934	2.7
67.05500	99.8
68.05837	1.6
69.07060	16.0
69.84173	1.6
69.84524	2.5
70.64751	0.8
71.04987	2.6
71.08613	2.5
74.87525	0.8
75.04475	2.3
77.03904	1.0
79.05491	53.4
81.07051	95.8
82.07387	1.9
83.04979	2.4
83.08611	8.5
85.06528	2.2
91.05476	22.6
93.07037	68.5
94.07388	1.2
95.04972	5.8
95.08600	70.1
96.08927	1.3
97.06532	4.1
97.10185	3.9
99.08086	2.2
105.04532	2.2
105.07020	17.9
107.08585	41.0
109.06509	1.8
109.10146	37.0
110.10593	0.9
111.04481	1.1
111.08112	1.4
113.09679	1.4
117.07011	12.3
119.06107	1.0
119.08574	18.4
121.10140	31.1
123.08090	1.2
123.11696	21.0
131.08565	22.0
133.10114	14.5
135.08096	1.7
135.11690	30.1
137.09598	1.3
137.13223	6.8
137.28232	0.8
139.11150	1.3
145.10123	16.9
147.11691	11.5
149.13246	22.9
151.14819	2.2
153.12683	1.3
159.11687	15.7
161.13260	9.6
163.03915	1.4
163.11217	1.6
163.14819	12.0
164.15118	1.1
165.12659	1.8
173.13245	20.0
175.14787	3.1
177.12549	1.1
177.16373	4.1
179.14243	1.7
187.14813	9.8
191.03325	4.2
201.16391	3.3
205.15836	1.7
215.18042	1.2
219.17570	1.0
233.22685	4.3
243.21063	20.8
244.21454	1.0
261.22122	100.0
262.22406	6.1
279.23251	4.5
295.09573	0.9
335.25824	5.4
336.25845	0.8
353.26794	26.7
354.27127	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.9
55.05511	15.2
57.03450	3.7
57.07073	5.3
58.15837	1.9
59.18897	1.9
65.03943	4.3
67.05502	86.0
69.07059	10.4
69.34271	5.8
70.41692	2.0
71.04982	2.2
71.08627	3.1
72.82175	1.7
79.05487	47.0
81.07053	94.2
82.07399	1.8
83.08620	6.5
85.06555	2.6
91.05472	24.2
93.06448	3.4
93.07039	66.1
95.04957	2.8
95.08602	66.7
97.10176	3.9
99.08099	4.0
101.54412	1.8
105.07021	18.6
107.08588	37.4
107.09259	3.2
109.10154	37.6
110.33634	2.2
117.06998	12.1
119.08570	14.4
121.10139	34.9
123.11711	21.0
131.08563	22.1
133.10114	13.4
135.11676	24.3
136.04298	1.8
137.13260	7.3
139.11131	2.1
145.10123	16.3
147.11702	11.9
149.13248	23.9
151.14842	3.5
159.11687	15.1
161.13258	8.5
162.27827	1.8
163.14824	12.9
173.13252	19.8
175.14748	1.9
177.16333	4.4
187.14809	9.5
201.16443	3.8
233.22736	4.4
243.21063	20.4
261.22122	100.0
262.22510	6.7
279.23264	2.9
335.25723	5.4
353.26874	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	353.2686
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.01852	4.1
55.05515	22.8
56.29012	3.7
57.07067	9.4
60.05656	3.1
67.05509	28.1
67.46312	2.8
69.03425	4.7
69.07071	33.1
69.40811	18.0
71.08626	27.4
79.05501	16.2
81.07053	50.5
82.42937	2.7
83.04967	5.1
83.08607	10.3
85.06548	3.3
91.05486	13.4
93.07022	25.1
95.01863	3.5
95.04964	13.1
95.08604	33.3
97.06551	7.4
99.08096	20.0
103.56028	3.3
105.07029	19.2
107.08566	12.4
109.06506	22.1
109.10165	14.6
114.02073	3.5
117.07014	3.4
119.08549	16.3
121.06496	9.1
121.10175	9.4
123.11735	11.5
131.08542	5.5
133.10159	9.9
135.08064	5.7
135.11649	7.8
139.11194	4.1
145.10068	4.6
147.04430	3.7
147.11626	5.7
149.09662	4.2
149.13165	4.7
163.03905	10.1
163.11217	7.7
165.12744	55.8
175.14816	5.1
177.12726	8.3
191.03380	27.7
209.18990	9.1
254.59816	3.5
261.22357	4.5
281.80606	3.5
289.25250	22.6
295.09583	15.5
307.26141	4.1
317.24716	75.2
335.25781	100.0
336.26212	7.7
353.29535	9.2
353.35199	8.0
354.14444	4.9
354.33667	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.38730	0.8
53.03943	1.1
55.01875	1.3
55.05509	12.6
57.03442	5.8
57.07074	3.8
58.69388	0.7
59.05018	1.0
63.61975	0.8
65.03939	3.5
67.05502	89.7
68.05811	0.8
69.07064	12.8
69.10062	6.1
71.04998	2.7
71.08627	2.1
75.04488	1.2
79.05490	39.9
80.05788	0.9
81.07054	100.0
82.07400	1.2
83.04969	1.6
83.08634	5.6
85.06552	2.6
91.05473	18.0
91.05985	1.5
93.07042	53.8
94.07354	1.2
95.04952	4.3
95.08603	70.7
96.08940	1.8
97.06536	2.5
97.10185	3.2
98.23414	2.1
99.08088	2.0
105.07025	15.0
107.08591	34.4
109.06521	1.4
109.10155	35.7
110.10506	1.1
111.08079	2.0
111.11725	0.9
113.09650	1.8
115.25682	0.7
116.06237	0.8
117.07018	7.9
119.08578	12.8
120.08997	0.8
121.10142	28.3
122.10488	1.0
123.11703	20.2
124.11974	1.0
125.09694	1.5
131.08566	16.5
133.10135	11.7
135.11687	24.1
137.09648	1.8
137.13225	9.4
139.11197	1.8
145.10130	13.4
147.11684	11.0
149.13252	19.0
151.11148	1.0
151.14824	2.9
153.12698	1.9
159.11690	13.4
161.13274	8.3
163.11137	1.1
163.14806	12.4
165.12744	1.6
167.70769	0.9
173.13260	14.4
175.14835	3.0
177.12752	1.2
177.16377	3.4
179.14276	1.1
187.14824	9.3
189.16432	0.9
191.03374	2.2
191.14322	1.5
201.16380	2.4
205.15941	1.5
215.17990	1.4
219.17503	1.0
229.14214	0.8
233.22646	3.8
243.21115	20.5
244.21510	1.0
261.22119	98.4
262.22458	5.6
263.23685	1.1
279.23093	8.6
317.24698	1.6
335.25803	10.7
336.25980	1.4
353.26855	25.1
354.27045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.03417	0.7
60.05661	1.5
63.43488	0.7
67.05496	7.6
68.86716	0.6
69.07056	3.0
69.80816	0.6
70.06586	2.6
71.08614	0.7
71.90858	0.6
74.13245	0.6
78.86203	0.6
79.05505	4.9
81.07057	8.8
83.08620	1.4
88.07632	3.2
91.05470	2.8
93.07026	5.0
94.25922	0.6
95.04963	1.1
95.08589	6.9
97.06491	0.8
98.23425	2.1
105.07027	1.9
106.08655	1.0
107.08598	2.3
109.06494	0.7
109.10149	2.8
119.08614	2.1
121.02948	0.7
121.10145	1.6
123.11659	1.3
129.06981	0.7
131.08560	1.9
133.10103	1.9
135.11681	1.7
142.74973	0.7
145.10091	2.0
147.04449	1.0
148.39423	0.7
149.13248	1.6
159.11665	0.6
161.13229	1.0
163.03912	2.5
169.85777	0.6
173.13269	1.1
187.14813	1.2
190.05034	0.8
191.03372	9.0
208.02400	0.8
243.21097	1.4
261.22137	4.0
279.22791	0.8
295.09726	4.1
317.24738	1.1
335.25790	1.8
336.08627	1.6
336.32779	1.0
353.30249	100.0
354.14600	1.2
354.30490	3.0
354.33917	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	354.0963
Annotation	Rugosinone
Peak:m/z	Relative Intensity
50.43890	0.4
56.05037	4.7
57.04528	0.6
58.36227	0.4
63.02386	0.6
65.03897	0.6
67.13443	0.5
69.28566	3.1
70.06599	0.6
70.56599	0.4
72.02618	0.5
72.04502	0.6
79.05469	0.6
81.03374	0.6
82.02906	0.5
82.04066	2.5
84.05615	5.5
85.06393	0.9
86.07190	0.8
90.03445	5.1
91.04202	0.6
98.99981	2.9
100.03981	2.8
106.06576	1.3
111.06685	0.9
111.07970	0.6
114.05510	0.7
126.01062	100.0
127.01420	1.6
129.88663	0.5
133.07635	4.2
135.04427	0.7
137.05922	0.7
137.08205	1.7
139.09796	1.0
140.02567	0.5
144.02084	1.4
146.07074	1.0
153.07681	0.7
154.08513	0.9
160.08676	0.7
163.03928	3.3
163.06122	1.5
163.07484	0.6
164.06935	2.0
166.01697	1.7
166.08536	1.6
167.03712	1.0
168.03271	0.8
169.05235	0.7
171.06366	0.6
173.08232	5.8
174.08957	1.9
175.09740	3.6
180.03171	0.6
181.04909	2.3
181.07210	1.3
182.08015	4.9
192.03233	0.7
194.04781	10.4
195.05356	0.5
196.06329	3.5
209.03889	0.7
209.05864	13.5
210.06409	0.7
211.07454	8.1
237.05405	0.8
248.06955	4.6
262.08566	1.8
264.10187	0.7
272.11383	5.7
280.09647	2.3
290.08002	11.7
292.09567	7.3
308.09064	55.8
309.09259	2.5
310.10641	20.0
336.08487	6.7
354.09613	50.8
355.09848	1.9
355.13611	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	354.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.4
65.03896	0.2
69.03434	0.4
69.40712	0.8
69.41125	0.4
80.97345	0.2
81.03417	0.2
83.08617	0.2
85.02908	1.3
97.02913	0.5
100.96739	0.2
109.55762	0.2
111.04420	0.5
132.05594	0.9
135.05440	0.3
136.06161	0.5
137.05882	0.4
144.10162	0.8
153.09035	0.3
160.05049	100.0
160.72098	0.3
161.05437	2.8
163.03867	0.8
192.07663	88.3
192.47185	0.2
193.08058	2.8
201.05412	0.6
203.05241	2.5
210.14888	0.6
222.12659	0.2
314.07568	0.3
354.12701	1.6
355.13696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
54.55227	0.3
57.03410	0.5
57.41319	0.2
61.02906	0.5
69.03424	1.8
73.02903	2.4
81.03387	0.7
85.02896	2.1
87.04461	2.9
89.63747	0.3
97.02860	0.8
99.04420	1.8
103.03942	0.3
125.46957	0.3
127.03886	0.7
132.08092	0.5
133.08836	0.9
146.09651	0.4
148.11188	19.1
148.83099	0.3
149.11522	0.7
174.12688	0.7
192.13808	63.7
193.14160	2.9
354.19070	100.0
355.13394	0.6
355.19409	7.0
369.45679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	1.7
60.05630	1.2
67.05514	2.2
68.52184	1.3
69.07061	12.6
70.94473	1.3
71.26071	1.1
79.05486	3.0
81.03410	3.9
83.04978	3.3
86.09700	100.0
87.10041	1.9
91.05470	15.4
91.29858	1.0
93.07026	8.3
95.04958	3.7
101.46735	1.2
105.07011	5.8
106.36724	1.0
107.04955	4.1
107.08577	3.2
109.02861	4.8
115.05422	1.9
115.80567	1.0
116.06231	1.7
117.07011	30.4
119.08562	6.2
121.06518	1.6
123.04431	8.1
128.10701	11.8
131.08571	12.3
132.01175	1.3
132.10228	6.7
133.06480	3.1
133.10110	3.5
135.08049	28.1
137.05948	1.8
141.07039	1.5
143.08577	2.6
145.06471	5.1
149.09615	3.9
156.10217	2.9
159.08043	15.4
161.05943	1.4
161.09595	2.1
161.33067	1.4
163.03827	1.2
163.07544	22.8
169.06493	1.8
173.79483	1.1
176.10637	1.1
177.09103	14.2
178.09447	1.3
181.08578	13.8
187.07520	9.0
191.03416	3.6
205.08585	69.5
206.08867	4.0
210.14935	1.2
240.10194	1.5
244.16910	2.3
246.18512	1.8
262.18005	2.6
272.16428	2.1
290.17471	61.6
291.17865	4.8
302.22662	1.1
308.18521	33.9
336.17834	6.7
337.10614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63160	0.3
57.03419	0.9
61.02903	0.6
69.03106	0.3
69.03417	2.4
71.01344	0.3
71.04959	0.3
71.05280	0.4
73.02918	2.1
81.03388	0.7
83.01335	0.3
85.02893	2.8
87.04459	3.6
91.72031	0.2
97.02869	0.9
99.04460	2.5
99.41156	0.2
103.03847	0.3
109.02870	0.7
127.03887	0.3
129.05409	0.4
132.08063	0.5
133.08842	1.1
134.07164	0.5
135.04445	0.3
144.10213	0.7
145.02820	0.3
148.11194	19.8
149.11563	0.5
161.12004	0.3
163.03879	2.4
174.12695	0.6
177.84319	0.2
192.13809	64.7
193.14169	3.0
203.05176	0.3
263.55600	0.3
354.19070	100.0
355.13593	15.5
355.19363	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	354.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76359	4.7
55.01875	4.0
55.05497	15.5
57.03410	6.4
62.71212	4.9
67.05490	6.2
69.03420	13.9
69.06779	3.6
69.07069	39.6
71.22561	4.7
79.05478	11.2
81.03388	6.6
81.07040	25.6
83.04981	8.3
85.02904	42.6
87.00823	11.4
93.07018	13.4
95.08595	10.6
97.02865	13.3
97.06528	7.9
97.10154	13.3
99.04455	5.7
105.01852	17.1
107.24224	4.2
109.02850	8.1
111.11662	7.3
115.49319	3.9
115.55579	3.9
121.10153	27.8
127.03893	15.4
137.06036	5.3
139.10170	5.6
139.11162	70.8
142.37866	4.4
144.75403	4.8
145.04927	12.3
157.12225	100.0
175.13260	18.7
191.03322	5.5
219.06139	4.7
231.04898	4.8
249.06049	4.6
355.13559	11.4
355.17465	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	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33591	13.6
58.07414	12.1
68.28734	14.4
69.07060	19.4
69.46216	29.4
69.46605	38.5
79.05502	14.5
95.08570	22.8
119.08592	55.8
121.10120	35.7
133.10139	42.0
135.08141	20.8
135.11699	20.7
145.10136	52.6
147.04424	17.7
147.11685	29.5
157.10173	26.2
159.11714	30.2
163.03928	16.4
167.10693	15.4
171.11693	17.9
173.13229	20.1
191.03416	52.4
199.14793	32.1
215.17845	75.7
221.15366	19.2
226.89552	14.0
233.19029	12.4
236.16707	14.1
257.18985	89.7
275.20099	32.7
293.21207	100.0
295.09680	38.0
301.21686	29.2
319.22681	68.7
319.26978	13.9
344.73920	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.3
58.76439	2.6
60.05638	8.1
67.05499	7.5
69.07067	8.7
70.67155	3.4
79.05482	9.3
81.07053	25.1
83.08619	4.6
84.41411	2.7
85.06523	3.1
91.05480	6.6
93.07014	12.1
93.89040	2.5
94.40508	3.0
95.04951	3.1
95.08597	15.9
97.06532	8.8
97.60815	2.9
99.08068	4.8
105.07045	13.3
105.90585	2.9
107.04953	4.0
107.08591	10.1
109.06465	3.0
109.10118	13.2
109.54398	2.5
111.08070	5.6
117.07056	3.3
119.08568	30.0
120.68243	2.8
121.02856	3.2
121.10138	12.4
123.11673	8.2
131.08556	5.7
133.10089	17.1
135.11681	6.6
136.14977	2.8
137.13264	2.8
142.12599	2.6
145.10121	10.7
147.04398	8.9
147.11646	15.7
149.13228	14.8
157.10170	4.3
159.11693	15.3
161.13240	14.0
163.03874	14.3
163.14841	4.0
164.04117	3.2
165.12836	3.3
171.11646	5.6
173.13287	21.6
175.14815	15.4
176.15591	5.3
177.16347	7.1
185.13239	5.3
189.16322	3.6
190.04903	4.2
191.03365	48.7
192.03748	3.6
199.14751	7.0
205.12267	5.1
213.16490	3.0
221.15414	6.7
227.17958	4.5
229.19505	28.4
239.18011	3.7
242.37752	3.4
247.20522	8.0
250.08078	5.6
255.21140	26.9
257.11282	14.5
257.18958	5.5
273.22116	65.9
274.22302	5.7
275.20175	13.4
293.21094	10.0
294.11227	5.8
294.24252	7.8
295.09604	22.6
301.21637	27.7
313.17715	5.1
319.22552	6.3
354.09241	3.4
354.14334	9.8
354.25400	4.5
355.18625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22115	17.3
60.05639	21.1
63.03763	20.2
67.05505	23.6
70.06601	19.9
79.05487	33.8
81.07042	62.6
83.90526	18.5
84.47507	18.3
85.10624	19.4
88.21387	18.4
90.48615	18.9
90.86314	18.0
91.05448	36.1
93.07072	35.4
95.08609	36.5
105.07011	34.9
107.08581	21.2
109.06501	20.6
121.10108	19.8
131.08600	20.5
137.06012	100.0
147.04414	33.0
147.11694	24.9
149.09520	25.2
159.11745	36.6
161.06055	23.6
163.03937	41.8
185.13286	31.1
189.07014	22.5
191.03412	90.5
201.05557	96.9
206.07246	24.8
213.05460	30.6
234.06779	32.5
253.19461	21.2
271.20560	72.7
274.26334	19.9
277.08649	43.9
283.20731	27.3
290.05759	44.4
295.09525	57.5
305.08096	81.6
323.09293	23.4
337.10690	68.1
354.20895	22.5
354.26266	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05508	4.6
57.07045	0.9
58.06594	1.0
59.56004	0.6
60.05636	2.8
65.03914	1.0
67.05171	1.1
67.05502	13.0
69.07066	5.5
70.06587	13.6
74.06078	1.0
74.12547	0.7
79.05029	0.6
79.05485	2.9
81.07050	7.0
83.08598	1.7
88.07626	17.7
91.05496	0.7
93.07033	1.2
94.50022	0.8
95.08604	5.0
97.10120	1.1
102.09174	4.7
104.28980	0.7
106.08660	8.8
107.04971	1.6
109.10144	1.6
113.51273	0.7
121.02823	0.7
122.38932	0.7
123.69647	0.7
124.24733	0.6
145.42793	0.6
147.04413	2.3
152.69914	0.6
163.03899	5.5
190.04945	1.9
191.03374	16.0
197.15390	0.8
209.04317	1.5
211.13416	0.7
218.10646	0.8
250.08081	0.9
262.22495	1.0
286.72241	0.7
294.11288	1.2
295.09589	7.3
336.28891	2.3
336.32593	5.5
353.84781	0.7
354.14319	2.7
354.26617	2.4
354.33636	100.0
355.13531	1.0
355.33899	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	355.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.8
58.06585	1.5
58.19386	0.8
69.03412	1.0
70.06580	1.9
71.42126	1.0
73.04744	1.5
81.03417	1.0
84.08152	1.1
85.02899	1.0
86.09698	1.6
89.03898	1.4
91.05788	2.8
97.02888	1.9
98.97576	2.2
101.00884	3.5
110.07201	2.2
116.98632	2.3
117.03358	1.9
119.01896	10.6
121.06535	0.9
131.01920	1.8
135.04414	2.6
136.06165	1.7
137.02954	2.8
140.98799	1.0
143.01888	2.6
145.02859	3.0
155.01909	1.3
157.03503	1.3
158.99857	1.5
161.02959	3.6
163.03899	12.4
173.02913	1.7
174.97705	0.8
177.00938	18.0
177.05507	2.0
178.00986	1.6
181.04967	3.1
182.99986	2.7
185.02924	1.2
194.03702	0.9
194.07823	1.1
197.03017	1.8
201.00885	8.8
201.02492	1.0
203.02458	1.8
212.02542	1.6
216.98788	1.1
217.04091	2.4
219.01985	100.0
220.02109	8.6
221.69995	0.8
224.04433	1.0
226.09277	1.5
227.00349	1.3
230.03584	36.4
231.03720	3.2
234.03246	0.9
235.04536	0.9
242.03651	3.4
243.01825	5.1
244.10060	0.9
245.05070	3.4
247.73291	0.8
250.09529	1.4
253.05472	1.3
254.05586	1.2
261.03043	50.0
262.03180	4.7
271.06384	3.3
275.06186	1.1
283.04886	3.9
285.00803	1.5
295.03802	3.4
301.01102	3.1
301.05884	5.9
313.04733	53.2
313.07895	6.7
313.95047	1.0
314.04895	6.8
314.09238	3.0
331.05835	77.1
331.96732	1.0
332.05972	10.5
332.10410	6.9
336.06531	1.1
343.14514	1.1
354.07477	1.6
355.08795	3.9
356.17023	1.0
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	Unknow
Peak:m/z	Relative Intensity
52.59793	0.6
57.13520	0.6
59.04988	0.7
61.02914	1.1
65.03937	0.8
69.03416	2.5
69.60283	2.4
70.06580	0.9
73.02904	1.3
73.04734	0.8
76.73716	0.6
79.05486	3.0
81.03411	1.2
84.08120	0.7
85.02907	2.8
87.04440	2.6
89.03917	8.4
97.02872	1.5
99.04458	1.3
105.06957	0.7
107.04960	3.1
107.08570	2.5
117.03382	10.7
120.66637	0.7
124.07650	0.9
127.03942	0.7
130.04985	0.8
135.04413	19.7
135.08006	1.3
136.04704	1.0
137.05939	0.8
145.02843	13.9
147.04413	1.1
148.11200	11.0
149.11534	4.8
153.05423	0.8
163.03899	100.0
163.07523	1.7
164.04248	2.6
181.04945	8.4
191.10645	0.7
192.13821	34.3
193.14180	24.1
201.05479	2.1
210.93102	0.7
232.07176	1.0
248.10295	2.1
261.02304	0.8
285.00891	0.7
321.03232	0.7
354.19104	39.3
355.06882	1.3
355.13696	10.9
355.19434	50.8
356.17068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.34604	0.5
65.03923	0.7
69.03423	0.8
70.11743	0.9
70.12089	1.1
72.55434	0.6
73.04742	0.6
79.05487	1.4
82.26498	0.6
83.06078	0.6
84.04510	1.0
85.02902	1.1
87.04480	1.1
89.03916	8.3
91.05436	1.1
97.02893	0.7
99.04414	0.7
103.52021	0.5
105.07054	0.6
107.04961	2.6
107.08585	1.4
117.03372	10.8
130.04993	0.9
132.58826	0.5
135.04413	19.8
145.02846	13.2
145.10089	0.6
148.11176	2.8
149.09630	0.5
149.11555	1.8
153.53543	0.5
163.03899	100.0
164.04236	2.7
165.73825	0.5
167.10680	0.6
181.04924	4.5
192.13818	8.1
193.14185	6.2
201.05487	0.7
235.12019	0.6
242.17110	0.5
246.26741	0.5
248.10344	1.3
354.19144	7.6
355.06659	0.8
355.13608	2.6
355.19485	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	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
69.13000	0.7
69.57089	2.1
69.74866	0.6
79.05497	0.9
83.23860	0.7
89.03914	7.6
104.87794	0.8
107.04974	1.6
113.00859	0.7
117.03377	8.5
127.74047	0.8
135.04417	16.2
136.24673	0.8
145.01709	0.9
145.02849	14.0
145.03944	1.6
163.03899	100.0
164.04253	2.6
335.70975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
55.01846	1.7
55.05484	1.4
61.79992	1.4
69.03416	1.5
70.06599	2.9
74.40367	1.5
79.05511	2.4
91.05493	4.4
93.07035	2.0
94.04215	2.7
95.04975	3.2
105.07095	2.0
106.23731	1.5
111.05582	3.3
115.05455	2.5
116.23578	1.6
117.07017	1.8
119.04951	2.9
122.03661	9.1
133.06454	2.3
135.04425	1.7
137.05971	89.5
137.09531	1.5
138.06343	3.2
143.04939	1.8
145.06529	2.7
147.04413	2.9
151.03909	5.7
158.03656	6.0
161.05984	7.9
162.06648	2.1
163.03931	3.9
165.07022	1.4
173.06000	12.9
175.03995	1.9
177.07036	2.2
178.07768	5.3
181.04936	5.4
186.03085	7.2
189.07019	6.5
192.03680	1.7
193.14189	1.7
194.07364	2.1
195.08011	2.6
201.05453	100.0
202.05804	5.3
202.07649	1.8
205.06491	11.6
206.07259	14.5
213.05470	8.9
214.06134	1.7
217.06488	3.4
218.07214	4.1
220.05202	2.2
221.05917	2.6
222.06752	3.4
223.07457	2.5
231.06468	2.9
233.05954	8.8
234.06732	30.2
235.07426	7.6
237.09062	4.0
244.05176	2.1
245.06000	5.8
246.06784	3.5
247.07594	1.9
248.08344	2.8
249.05548	2.5
249.09055	7.5
250.06346	3.8
251.07024	3.7
259.07440	1.5
261.05557	5.4
262.06259	33.9
263.06903	7.7
264.07782	3.3
265.08554	7.1
266.09299	2.4
273.05399	8.5
274.06195	5.1
276.07822	3.2
277.08578	25.4
278.05835	3.6
278.09009	3.2
279.06549	5.5
287.07156	5.1
288.07724	1.5
289.04907	3.4
290.05701	42.9
291.06183	3.6
291.10123	2.5
292.07266	5.3
293.08081	11.3
294.08807	3.8
295.09656	7.6
304.07230	3.6
305.08066	80.4
306.08469	6.6
307.06134	3.2
307.09680	9.3
309.11206	6.0
311.08551	1.4
319.09641	9.3
322.08353	4.1
325.10751	17.9
337.10657	89.5
338.11053	5.1
355.07535	1.9
355.11823	4.6
355.16864	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	355.1178
Annotation	Seitomycin
Peak:m/z	Relative Intensity
55.05515	1.9
60.23885	1.6
69.33895	8.2
79.05484	3.8
81.07040	3.4
90.13934	1.5
91.05492	5.9
93.07056	1.6
94.04183	4.5
95.04959	2.1
97.67326	1.6
98.23569	2.9
102.04710	1.6
105.07054	2.7
107.04935	2.1
107.08625	1.8
111.98880	1.4
115.05483	3.9
117.07018	3.1
122.03644	9.9
130.04128	3.1
131.04945	2.9
135.04402	2.8
136.48805	1.7
137.05975	92.4
138.06334	2.4
143.04922	2.8
145.06503	4.2
147.04424	3.5
151.03896	6.7
158.03661	9.3
161.06010	9.4
162.06758	1.6
165.06996	2.8
173.05956	15.2
176.06258	1.9
177.07021	2.0
178.07742	7.5
185.06009	2.8
186.03165	6.3
187.03882	1.8
189.07021	6.2
192.03999	1.7
201.05461	100.0
202.05913	3.4
202.07727	1.5
203.08624	1.7
205.06467	12.0
206.07263	15.8
209.51123	1.6
210.91129	1.5
213.05435	19.5
217.04718	2.3
217.06517	5.5
218.07275	3.4
219.08026	2.6
220.05203	3.4
221.05951	2.6
222.06775	4.1
223.07390	1.5
231.06441	3.7
233.05951	9.1
234.06749	41.9
235.07608	9.5
237.09120	3.4
239.07007	2.0
244.05099	2.4
245.05981	8.9
246.06676	3.6
247.07544	2.9
248.08293	3.1
249.05399	2.5
249.09158	8.6
250.06255	4.6
251.07079	6.7
252.07809	1.7
259.07397	3.8
261.05496	6.4
261.08884	1.7
262.06241	33.1
263.06934	8.0
264.07837	3.0
265.08655	6.3
266.09677	1.9
267.13858	1.6
273.05414	10.6
274.06104	3.5
275.07022	1.6
276.07941	4.8
277.08563	28.0
278.05844	3.3
278.08878	3.1
279.06628	3.3
280.07300	2.1
287.07034	4.9
289.04956	5.9
290.05713	48.0
291.06351	3.5
292.07248	4.4
293.08096	7.8
294.08841	5.8
295.09683	6.7
296.10007	2.1
304.07236	2.9
305.08072	82.6
306.08450	7.1
307.05899	4.4
307.09628	11.3
309.11282	6.8
309.14780	1.9
319.09668	7.2
322.08380	5.7
325.10724	17.2
334.68765	1.7
337.10678	77.8
337.14203	6.0
338.11096	4.0
355.07004	1.5
355.11676	3.7
355.15695	3.4
356.14716	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	355.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75864	0.3
62.05986	0.4
65.03951	0.5
67.05515	0.6
70.06579	0.5
74.22573	0.3
75.71235	0.3
79.05486	0.9
89.03905	1.0
91.05471	1.1
92.19283	0.4
105.07023	0.8
107.04958	0.4
107.08603	1.8
117.69971	0.4
119.04943	0.7
120.02126	0.5
126.01046	0.9
135.04375	1.9
135.08075	1.1
137.05983	1.4
145.02863	1.1
147.04391	1.1
163.03897	5.7
163.07521	1.8
174.56361	0.4
175.03900	0.7
181.04956	4.0
190.72214	0.4
191.14087	0.5
193.05014	0.5
201.05479	2.4
203.05281	4.6
205.06374	0.4
274.78442	0.4
290.05222	0.5
305.08078	0.7
337.11899	0.4
355.13611	100.0
356.13901	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	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.7
59.78956	0.4
69.76992	1.7
69.96020	0.6
74.80218	0.4
74.94025	0.5
84.05620	1.2
95.40041	0.5
98.23378	0.9
100.03976	0.6
126.01080	6.8
127.01408	4.1
128.00763	6.6
133.07588	0.6
149.45639	0.5
175.37387	0.5
182.07912	0.5
185.04198	2.7
193.08353	100.0
194.04950	0.6
194.08752	3.4
195.05229	0.8
196.04553	0.9
209.05965	1.0
210.06079	0.6
211.05608	1.2
212.07747	0.7
213.07289	0.6
236.19365	0.5
273.11761	0.6
291.08411	1.5
292.07758	1.0
293.09900	0.9
294.09460	0.7
309.09357	6.0
310.08694	4.4
311.10986	2.6
312.10376	1.6
355.10028	4.2
355.13614	73.7
356.09384	4.6
356.13956	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	355.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04725	0.3
70.49994	0.7
73.04767	0.4
78.40495	0.4
87.55315	0.3
89.03884	0.7
91.05791	0.7
118.80544	0.3
135.04393	0.4
135.08006	0.5
145.02777	0.4
163.03914	2.7
181.04910	0.8
187.07867	0.4
203.05313	0.4
224.86649	0.4
264.29639	0.3
269.75040	0.4
326.95090	0.4
355.13583	100.0
356.13730	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	355.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.5
65.03941	0.5
69.03416	1.3
70.06590	0.7
71.82487	0.5
76.87545	0.5
79.05502	1.2
85.02908	1.0
86.09729	0.5
87.04459	0.9
89.03910	3.3
91.05434	0.8
91.30453	0.5
95.04965	1.0
98.97655	0.6
105.07027	0.5
107.04947	1.3
107.08569	2.2
111.04454	0.6
117.03368	4.9
119.02002	0.7
119.05023	0.5
121.27563	0.5
121.46855	0.4
135.04407	10.6
135.05360	0.8
135.08015	1.0
136.04796	0.6
137.05957	1.2
141.50838	0.5
145.02843	6.2
147.04416	1.4
148.11192	1.0
149.11555	1.3
161.02934	0.6
163.03897	50.5
163.07574	1.5
164.04239	1.4
169.01337	0.5
174.05489	1.0
175.05823	1.7
175.07260	0.8
181.04950	12.2
192.13803	3.2
193.06839	0.8
193.14180	5.5
201.05455	1.3
203.05247	4.1
261.16238	0.5
313.89166	0.6
340.18903	0.6
355.13617	100.0
355.19354	13.6
356.13974	4.2
379.93103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.37274	0.4
69.03419	1.5
69.63485	1.7
73.02902	1.5
73.04772	0.8
75.15260	0.4
81.03419	1.2
84.08161	0.4
85.02911	2.3
87.00836	0.9
87.04467	1.7
91.05786	1.6
91.06330	0.4
97.02898	3.8
99.04454	1.2
105.01875	1.1
109.02852	0.7
110.07158	0.7
117.03379	1.2
127.03918	1.6
135.04367	2.0
135.08023	0.4
135.69411	0.4
145.02861	1.7
148.11237	0.9
149.11551	0.9
150.09135	5.7
163.03894	10.0
163.07581	0.5
181.04994	1.9
184.14563	0.5
192.13820	1.8
192.83122	0.5
193.14148	3.8
194.11752	14.0
201.05510	0.6
203.05244	2.5
254.50237	0.4
285.00995	0.7
355.13614	100.0
355.19226	7.4
356.17230	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.5
56.96556	12.1
57.03446	2.0
57.07072	2.8
59.45435	2.0
60.05635	1.8
67.05503	21.9
69.07071	12.9
69.34717	4.1
69.35117	7.7
70.06583	19.1
74.06095	2.0
79.05495	5.2
81.07064	22.9
82.07382	2.4
83.08627	7.1
87.58285	2.0
88.07634	30.4
89.07964	2.7
91.05463	2.3
91.67387	2.0
93.07035	4.7
94.07352	2.6
95.04964	3.2
95.08607	15.0
96.08948	2.3
97.10184	3.4
97.72702	1.9
102.09180	3.9
105.07027	2.0
106.08643	9.4
107.08569	3.6
109.10160	4.5
110.97565	5.7
119.08556	3.3
121.10163	2.9
123.11685	2.0
127.44263	1.9
128.98547	10.5
131.08607	2.1
133.10138	2.8
136.20325	2.2
146.99666	5.7
159.21571	1.8
168.98331	2.2
192.03799	2.6
195.13785	4.2
263.09631	2.8
263.23026	3.0
296.10080	4.0
315.16226	20.0
318.07770	2.8
324.66373	1.8
333.17325	38.3
336.32639	6.6
351.18356	14.6
354.33710	100.0
355.16232	35.5
355.28162	2.6
355.29413	3.6
355.34015	59.8
356.19110	4.0
373.16595	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	355.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06156	0.7
55.01761	1.0
55.01987	0.7
55.05398	1.5
55.05628	1.0
56.20118	0.7
57.03337	0.7
67.05356	3.8
67.05740	1.4
69.03275	2.2
69.06955	1.1
69.88055	1.2
69.88417	1.3
76.77602	0.6
79.05338	3.2
81.03254	3.7
81.03761	1.5
81.06891	2.0
83.04845	1.1
83.08482	1.6
83.08913	0.7
91.05303	3.8
93.06869	2.9
95.04800	6.6
95.05451	1.4
95.08431	2.6
98.22784	0.7
105.06858	3.8
107.04805	1.2
107.08410	5.1
109.06348	3.2
109.09994	0.9
109.56128	0.6
117.06891	1.2
119.04795	1.3
119.08406	2.5
121.06328	4.0
121.09955	1.9
123.04240	10.2
123.07872	7.5
131.04819	1.1
131.08365	2.2
133.06279	3.0
133.09920	2.5
135.07867	7.6
135.11568	1.1
137.05795	7.2
137.09503	0.9
141.06944	1.4
143.08444	1.4
145.06255	3.3
145.09920	2.4
147.07867	2.6
147.11513	1.1
149.05826	1.1
149.09447	2.0
151.07359	2.3
154.06715	1.2
155.08383	1.4
157.06355	0.8
157.10106	3.4
159.07861	2.9
159.11507	1.9
161.09634	4.8
163.03879	0.8
163.07414	1.2
165.05397	0.8
165.06831	0.8
165.08955	1.0
167.08423	1.1
169.06300	0.6
169.08617	9.3
169.09962	1.7
171.07930	1.9
171.11522	1.5
173.09468	1.8
173.13170	1.3
175.07423	0.9
175.11018	1.2
177.12683	0.8
181.09953	1.9
183.07910	2.3
183.11551	1.9
185.09444	2.9
185.13145	1.3
186.10240	0.7
187.07367	2.0
187.10992	2.5
189.08969	1.1
189.12595	1.6
191.03352	1.0
192.08957	0.7
193.10098	0.8
195.07916	1.1
195.11623	1.4
197.09471	2.5
197.13127	1.3
199.11024	2.6
199.14684	0.7
201.12698	3.1
203.10518	1.2
205.10135	0.8
205.12067	2.1
207.11603	1.1
209.09561	3.5
209.13133	1.0
211.11154	6.3
212.11679	0.8
213.08972	1.5
213.12712	4.6
214.13301	1.8
215.10713	1.3
217.12112	1.2
219.11665	0.9
219.13670	1.8
223.11150	1.4
224.11832	0.9
225.12665	5.4
227.10521	1.3
227.14236	1.0
229.12114	1.5
231.13785	1.6
232.14383	0.7
237.09039	1.0
237.12823	3.3
239.10429	0.9
239.14320	0.9
241.12068	1.0
243.13641	1.0
245.15300	1.0
248.11795	0.8
249.16354	0.9
251.14185	1.2
252.15015	1.4
253.12019	1.7
253.15779	2.6
255.13661	0.9
257.09537	0.8
257.15289	1.5
262.13467	1.3
265.12161	1.5
267.17419	11.2
268.17789	0.8
269.15433	1.0
277.15854	3.1
280.14508	3.0
285.18378	1.7
295.16913	28.7
296.17181	2.2
298.15652	2.1
309.18509	1.1
313.17957	100.0
314.18243	7.8
319.17200	0.9
337.18011	3.0
355.19006	25.0
356.19318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.2
57.07070	6.6
61.88876	6.1
67.05508	8.6
69.07072	18.1
70.62219	6.0
71.05007	6.0
71.56480	6.1
79.05481	20.4
79.05904	5.8
81.07049	71.0
85.04939	5.9
85.06538	20.3
91.05494	8.3
93.07036	25.1
95.04942	6.0
95.08605	23.6
97.06519	15.3
97.61507	6.1
99.08081	14.8
101.48046	5.6
105.07031	20.4
107.08588	22.2
109.10137	17.4
111.08131	8.6
117.07039	6.8
117.87385	6.6
118.78802	5.8
119.08578	42.4
121.10122	29.8
123.08054	8.1
125.09658	10.6
127.11179	11.8
129.09096	6.7
131.08548	15.9
133.10100	22.6
135.08063	15.2
135.11703	15.3
137.06030	8.9
137.09639	12.8
139.11172	38.5
143.08537	9.7
144.09195	6.8
145.06459	5.9
145.10135	23.2
147.11646	9.0
149.09677	7.2
157.10130	17.6
157.12216	50.3
159.11639	46.4
161.13283	11.9
163.11185	16.5
169.10123	7.2
170.10953	7.0
171.11702	12.6
173.13277	25.2
177.12759	12.5
181.12302	16.5
183.11630	11.8
185.13229	11.3
187.02109	6.5
187.14796	17.9
189.12720	11.6
191.14279	12.0
193.12355	8.0
199.14810	13.1
201.05463	11.6
201.12712	8.6
203.14386	19.0
205.12144	11.2
211.14825	7.2
215.14256	45.2
220.14491	12.2
221.15518	9.4
231.17477	10.3
241.19522	6.3
243.17593	10.9
259.20551	8.1
261.18637	8.5
273.22052	7.8
283.20544	14.6
289.21558	11.3
301.21616	59.1
319.22653	100.0
372.04779	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	355.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03645	12.2
54.50813	12.6
58.06583	12.6
61.24390	16.3
65.59869	13.8
66.03519	13.9
69.07056	23.6
81.07049	22.9
83.04967	49.1
86.09709	100.0
92.08687	14.9
93.07076	16.6
95.04927	14.5
132.10187	21.9
150.82950	13.1
151.11176	47.4
180.81805	15.6
192.03781	12.9
196.35947	17.3
198.43642	14.0
278.21213	45.2
285.29602	14.6
324.21759	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.01866	2.2
55.05253	3.2
55.05511	39.7
57.03441	9.6
57.07074	15.2
60.78066	2.0
65.03926	2.8
67.05506	71.4
69.07070	45.8
69.16317	5.8
69.16743	6.0
70.06591	12.9
71.05005	2.3
71.08630	5.8
76.92492	1.7
77.03950	1.8
79.05495	20.8
81.07057	86.1
82.07391	3.1
83.04987	2.8
83.08619	29.4
85.06535	4.6
85.10148	2.2
88.07628	16.8
91.05481	15.8
93.07047	28.1
95.04978	3.3
95.08608	83.4
97.06521	7.5
97.10154	18.7
99.08096	3.6
102.09179	4.7
105.07056	11.2
106.08671	7.9
106.72516	2.0
107.08584	19.3
109.10151	35.9
111.08092	4.5
111.11698	5.6
113.09650	2.3
119.08583	14.7
121.06498	3.1
121.10133	23.3
123.11706	17.6
125.09608	2.2
125.13254	2.9
129.05492	3.3
133.10138	16.3
135.11685	11.1
137.09470	1.7
137.13264	8.2
141.12697	2.2
147.11714	11.6
149.13277	11.8
151.11137	2.7
151.14830	3.3
153.12830	1.6
161.13261	13.6
163.14824	10.3
165.12773	2.6
165.16444	5.9
175.14807	8.3
177.16403	2.6
179.17937	4.2
179.57465	1.8
189.16373	4.0
191.03465	3.2
245.22618	34.1
246.23013	2.1
263.23730	40.0
274.81982	1.9
296.10025	3.9
337.27298	21.2
338.27631	2.2
338.34039	6.8
355.28308	8.0
355.33835	5.7
356.35220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.5
57.03425	4.1
57.07067	13.3
58.42263	1.8
67.05497	50.9
68.05834	2.1
69.06705	3.3
69.07061	32.8
70.06580	14.6
71.08612	5.4
71.43622	1.6
79.05484	16.0
81.07047	58.0
82.07331	1.9
83.08604	25.8
85.06522	4.2
85.10169	6.6
88.07623	17.9
91.05444	11.3
93.07037	19.3
95.04961	1.8
95.08595	50.4
97.06528	6.2
97.10152	14.2
99.08070	2.6
102.09174	3.3
105.07034	9.5
106.08680	9.1
107.08587	12.7
109.10143	25.5
111.08100	4.4
111.11701	4.6
113.09622	4.5
115.90662	1.5
116.86121	1.5
119.08567	10.9
121.10139	15.2
123.11701	15.0
125.13202	1.9
128.78815	1.8
129.05518	1.9
133.10132	12.4
135.11673	10.3
135.74731	2.0
137.13254	9.2
147.11659	8.5
149.13220	10.1
151.14740	2.9
161.13239	9.7
163.14780	11.2
165.12775	2.1
165.16370	4.3
175.14761	9.1
179.14343	2.6
179.17879	3.6
184.48366	1.7
189.16385	4.4
198.32069	1.7
245.22606	32.0
246.23022	1.8
263.23676	27.3
264.23969	1.9
299.25720	2.9
309.59952	1.5
337.27277	15.9
338.34082	6.0
355.13269	9.1
355.28351	7.5
355.33765	8.1
356.35190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03954	5.6
55.05505	32.4
57.03452	7.3
57.07060	15.8
60.05661	4.1
62.98253	3.5
67.05499	75.1
69.07060	51.4
70.06573	9.3
71.06921	5.6
71.08606	5.7
79.05493	24.0
81.06574	5.6
81.07050	100.0
82.07355	4.0
83.08601	24.3
85.10116	3.8
88.07628	12.4
91.05484	17.2
92.56239	4.8
93.07038	31.8
95.08598	75.8
97.06541	5.5
97.10175	15.8
105.07032	17.3
107.08580	25.1
109.10165	38.3
111.11694	7.4
113.74435	5.3
119.08591	14.7
121.10113	23.8
123.11687	23.0
125.09615	4.6
133.10132	15.3
135.11697	14.4
137.13280	7.6
143.67007	4.4
147.11687	11.3
149.13264	17.3
151.14874	6.3
161.13264	11.9
163.14803	10.9
165.16373	5.9
175.14815	10.4
184.90939	3.9
245.22691	35.2
263.23642	38.0
319.24625	6.1
337.27399	26.1
355.13620	5.2
355.27988	6.9
355.33969	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2994
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05507	17.2
67.05508	31.0
67.15565	5.9
69.04097	5.5
69.07064	23.7
69.93835	4.9
71.08601	4.9
79.05496	20.9
81.06633	8.1
81.07057	100.0
83.08619	13.6
91.05496	20.1
91.66635	5.6
93.07038	68.7
94.07935	5.6
95.04975	6.6
95.08605	75.3
97.06487	10.3
97.10188	10.2
105.07036	41.6
107.08588	60.1
109.10145	43.0
119.08610	40.9
121.10121	39.1
123.11716	18.2
131.08580	17.2
133.10121	26.1
135.11650	27.7
137.13266	8.4
138.35480	6.7
145.10109	15.3
147.11671	22.4
149.13252	54.3
157.10240	9.7
159.11685	21.3
161.13260	24.3
163.14845	28.0
173.13226	31.4
175.14816	18.1
177.16341	7.6
187.14850	15.2
189.16400	19.9
191.17941	17.1
192.03685	9.6
203.17926	7.2
213.16309	7.0
215.17975	10.8
217.19543	8.9
227.18030	5.9
228.77896	6.8
234.22769	6.2
296.10052	8.5
337.28876	21.5
355.14874	9.7
355.29996	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	355.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34702	5.6
55.00367	5.7
55.05505	29.4
57.07080	10.9
67.05492	32.0
67.93953	5.5
69.07063	30.0
70.56381	13.6
79.05491	21.0
81.07055	100.0
83.08626	12.2
87.88106	5.7
91.05457	29.0
93.07036	59.0
95.04986	6.9
95.08595	75.4
97.06528	20.8
97.10188	12.0
105.07025	65.6
107.08575	71.0
109.10143	41.6
117.06994	8.5
119.08579	59.9
121.10135	57.0
122.29277	6.4
123.11698	25.6
131.08598	19.2
133.10114	43.9
135.11667	36.5
136.87268	5.4
137.13264	5.3
145.10126	27.1
147.11674	50.8
149.13269	29.4
157.10110	11.8
158.10980	7.3
159.11774	32.4
161.13261	36.9
163.14812	20.8
171.11710	7.5
173.13185	11.0
175.14827	17.7
177.16383	18.5
187.14777	35.0
189.16425	9.4
191.17973	20.1
199.14723	6.6
201.16423	21.9
203.17986	56.6
215.17908	12.5
230.24863	34.3
271.24121	7.7
279.60025	7.1
337.28604	8.5
355.15268	10.0
355.29529	66.7
356.35275	10.3
368.98474	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	356.3522
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03942	0.4
55.05512	10.6
57.07067	1.5
58.06600	0.6
66.55286	0.3
68.05000	0.5
69.06718	0.5
69.07069	8.7
69.42107	1.4
70.06594	14.4
71.08632	0.7
74.06098	0.4
78.37552	0.3
83.08622	3.7
86.19125	0.3
88.07632	20.2
97.10163	1.4
102.09178	4.6
106.07965	0.7
106.08661	8.7
143.02158	0.3
227.40773	0.4
256.80502	0.4
312.32574	0.6
338.34167	6.7
339.34467	0.4
348.54285	0.3
356.35214	100.0
357.35541	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	357.1331
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01859	1.4
55.89135	0.4
65.03913	0.9
67.05494	0.9
69.07051	0.7
70.06580	1.0
72.08155	0.6
79.05487	2.0
81.03410	1.4
81.07041	2.1
83.97288	0.4
84.08105	0.5
91.05453	3.8
93.07024	0.9
94.04172	2.0
95.04951	1.3
95.08586	0.6
103.04826	0.8
103.05457	5.6
105.07045	3.3
107.04966	1.1
107.08578	1.3
108.02081	0.6
109.02853	0.9
109.06508	3.3
111.08085	0.5
115.05457	2.5
117.06995	1.5
118.04148	0.6
119.04922	2.3
121.06494	0.7
122.03625	5.9
123.08047	0.6
127.03930	0.6
128.06219	0.6
129.06999	1.7
131.04913	7.2
133.06468	2.0
135.08005	0.7
135.11646	0.5
137.05959	100.0
138.06291	2.8
141.05504	0.5
143.04901	4.2
144.05688	0.6
145.02798	0.7
145.06447	1.3
146.03569	0.7
147.04413	1.5
149.05898	0.4
151.02661	0.8
151.03888	13.5
151.04941	1.0
151.07521	1.8
153.05362	0.6
155.04939	0.7
157.06371	0.6
161.05957	2.8
163.07520	9.1
165.05434	3.0
172.05206	0.6
175.07591	1.4
177.05466	3.1
179.07007	1.4
183.04390	0.9
187.07483	1.1
189.05444	2.8
191.07024	1.0
192.04163	0.6
195.06485	0.9
200.04668	1.2
201.05424	0.8
203.07184	2.2
205.08530	2.2
207.06503	27.1
208.06793	1.3
215.07045	3.6
233.08041	3.3
235.07384	0.7
247.07446	0.6
251.10693	0.6
279.09665	0.7
297.11096	0.8
307.09161	0.8
311.12772	0.7
321.11096	0.7
327.12247	8.9
330.36703	0.6
339.12128	3.7
357.09216	0.6
357.13300	14.1
357.18723	12.1
357.23065	0.4
358.13388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	21.1
65.03924	5.5
67.05501	2.1
70.06569	1.8
70.80740	1.9
75.84171	1.5
79.05476	6.1
81.07051	7.4
84.08134	1.6
86.06052	1.8
91.05461	10.0
93.03389	4.4
94.04181	8.2
95.04972	4.5
95.08633	2.1
103.05460	8.9
105.07021	4.3
106.04213	1.7
107.04922	5.5
109.02869	2.8
109.06510	4.5
111.04413	7.9
115.05447	10.4
117.03355	2.6
119.04966	2.7
121.06494	2.5
122.03647	18.1
123.11713	1.8
125.05993	6.8
131.04904	8.7
132.05704	2.0
133.06517	3.9
137.05956	100.0
137.09648	1.6
138.06374	2.9
143.04916	6.5
144.05705	3.7
145.02859	3.4
145.06497	2.9
146.03601	8.2
147.04393	5.5
147.07936	1.9
149.05981	5.3
150.03055	2.4
151.03914	9.4
151.04968	2.5
153.05466	3.5
155.04918	6.2
160.05226	3.5
161.05943	24.7
162.06677	4.5
163.07497	4.2
165.05466	30.0
165.06979	6.1
167.08527	1.6
171.04396	2.6
172.05190	3.3
173.05952	2.0
175.07507	8.7
177.05464	12.7
177.06868	2.7
178.07761	5.7
179.08516	4.6
179.79369	1.5
181.04938	3.7
181.06473	2.5
183.04439	3.0
185.05898	2.0
187.07558	5.1
189.06996	12.6
190.07790	15.7
191.08551	18.6
193.06432	1.7
194.07150	2.0
195.07945	3.0
200.04674	2.6
201.06985	4.4
202.07780	6.4
203.07002	9.3
203.08675	2.8
205.06516	4.8
206.07260	5.5
207.06401	3.9
207.08052	11.3
208.08804	5.4
215.06940	8.9
215.08751	2.0
217.06430	5.3
218.07251	23.4
219.08018	32.8
220.08719	6.4
221.06004	4.2
222.06682	3.0
223.07524	3.6
225.09169	2.4
229.06380	7.9
230.07080	2.1
231.07996	4.4
233.05956	2.3
233.09547	3.8
234.06686	11.2
235.07518	17.7
236.08243	10.9
237.05507	2.2
237.08975	4.4
240.07932	1.8
245.06021	5.5
246.06749	22.3
247.07512	39.1
248.08295	9.0
249.05434	2.3
249.09062	13.8
250.09830	3.1
251.06989	6.7
251.10727	6.7
252.07735	3.0
253.08540	3.7
257.05945	5.8
258.06485	1.5
259.07455	4.1
261.09079	30.3
262.06247	6.4
262.09366	2.3
263.06943	19.6
264.07779	20.1
265.08478	9.3
267.10077	7.9
269.07999	2.8
274.06195	17.7
275.07031	18.6
276.07767	6.2
277.08554	27.3
278.09259	8.1
279.06586	4.8
279.10162	20.5
280.07367	1.7
281.07974	3.1
289.08566	44.2
290.09222	6.5
291.06497	5.5
292.07300	6.9
293.08078	4.2
294.08795	8.0
295.09637	8.6
296.10355	1.7
306.08768	9.8
307.09595	88.8
308.09985	7.6
309.07816	2.9
309.11060	16.3
321.11185	41.4
322.11447	1.7
324.09912	2.9
327.12195	28.5
328.12433	2.0
339.12247	28.3
340.12344	3.1
351.26868	1.7
357.14200	3.1
357.18781	54.8
357.23471	2.7
358.19351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
50.16244	0.7
53.03947	1.3
55.01859	2.3
62.82536	0.9
67.05492	1.5
68.99787	0.8
69.03426	1.1
69.07041	0.9
79.05479	5.6
81.03410	1.4
81.07059	4.5
91.05481	10.4
93.07012	1.2
94.04170	2.8
95.04961	2.1
95.08579	1.2
97.47518	0.8
103.04786	0.9
103.05457	14.3
105.04486	1.2
105.07020	11.2
107.04942	2.2
107.08586	2.0
108.05663	0.9
109.06498	8.6
115.05443	7.7
117.07016	3.8
118.04163	1.6
119.04919	6.8
122.03643	7.4
123.04400	1.2
123.07992	2.0
123.11720	1.5
128.06221	2.0
129.06996	3.2
131.04922	18.0
133.06485	7.6
135.08041	3.7
137.05966	93.9
138.06291	1.8
144.05675	1.5
145.06494	4.0
146.03683	2.0
147.04382	6.3
151.03903	8.6
151.07518	4.1
155.04900	3.6
157.06450	1.5
159.08044	1.4
161.05977	7.7
163.07524	27.0
164.04640	1.6
165.05458	8.2
172.05168	1.1
173.05960	1.3
176.94334	0.9
177.05496	1.0
177.09016	1.1
179.07057	4.5
181.06720	1.0
183.04417	1.8
185.02808	0.9
187.07510	2.4
189.05428	7.5
189.09050	1.4
191.07022	2.4
195.06531	1.2
200.04663	3.1
201.05431	1.5
207.06508	100.0
208.06929	3.5
209.05884	0.9
215.06999	11.5
218.05667	1.1
221.08104	1.5
221.80052	0.9
233.08060	10.0
244.26392	0.8
265.08429	0.9
279.10059	1.5
297.11145	2.0
311.12738	2.1
313.14337	1.5
315.11990	1.1
327.12234	0.9
339.12234	10.8
340.12115	0.8
340.42789	1.0
357.13303	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48523	0.9
65.41516	0.9
70.60912	1.2
81.79282	0.9
110.33753	0.9
120.28781	0.8
127.67757	0.9
128.47458	0.8
185.04196	15.7
195.09924	80.8
196.10222	2.1
247.35872	0.9
339.41034	0.9
357.15167	100.0
358.15424	5.4
360.92303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1825
Annotation	11-Hydroxyrankinidine
Peak:m/z	Relative Intensity
56.96560	7.9
58.06583	3.5
64.69992	4.3
67.05505	5.8
68.39812	4.0
68.55461	4.2
69.07068	5.8
70.79485	5.1
72.08157	6.3
79.05465	6.1
81.03417	9.1
93.07061	4.8
95.08595	5.9
109.06527	9.0
119.08643	4.6
119.40461	4.2
123.08027	7.0
131.08569	6.9
138.55888	4.0
159.11696	6.6
180.06075	4.6
197.13170	5.5
266.53897	4.5
296.33170	4.6
297.18552	7.6
316.16666	10.4
334.17719	28.2
352.18521	8.5
356.34293	4.6
357.08444	8.5
357.18158	100.0
357.34906	6.3
358.18427	5.3
358.32938	8.3
358.36819	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	357.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01863	8.0
55.05504	12.0
57.03411	4.2
57.07063	4.6
58.99572	9.0
65.03953	2.6
67.05500	69.9
68.05027	1.9
69.03422	2.2
69.07066	12.2
70.02940	3.3
70.06591	3.9
70.56805	3.3
71.04980	3.3
72.08153	12.3
73.01128	3.2
74.00662	13.7
76.02219	11.6
76.03997	3.1
79.05481	20.2
79.22978	1.8
81.03400	4.7
81.07052	40.5
82.06567	2.0
83.08615	2.1
84.04500	9.6
84.08134	7.9
85.01142	14.1
85.04026	4.9
85.06570	1.9
86.00644	3.6
86.99053	4.7
87.02708	9.9
87.19009	2.4
88.02216	4.6
91.05460	14.0
93.05770	2.2
93.07043	22.0
95.04962	10.3
95.08600	88.4
96.08115	5.0
96.08930	2.4
97.06544	2.7
105.07024	16.6
106.06560	5.0
107.08559	10.8
108.08099	3.5
109.02871	2.7
109.06534	3.6
109.10152	61.4
110.10482	2.6
112.03958	13.6
113.04224	24.9
115.05777	7.0
116.01064	1.8
116.01687	18.5
119.08575	21.8
120.08079	2.7
121.10113	9.0
121.20572	1.9
123.08054	7.6
123.11670	2.2
125.00553	2.9
125.04173	3.1
130.05023	10.1
130.05925	2.8
130.06865	43.5
130.08595	15.5
133.10097	7.0
134.09654	3.1
135.11678	4.5
136.11211	6.1
137.05960	7.1
137.09586	8.4
139.16695	2.1
141.03691	2.8
141.07281	1.8
143.02753	4.1
144.01132	6.8
145.06084	7.1
151.05724	3.2
151.14812	32.5
152.10695	4.3
153.07309	2.5
154.08621	5.5
156.08388	4.2
156.10190	4.1
158.09979	15.3
159.94380	1.8
161.13251	9.9
162.02162	19.2
167.05357	3.0
177.03279	5.4
178.15953	2.1
179.04842	15.3
179.14287	32.4
182.11723	3.8
189.03294	2.7
193.10516	2.0
203.14084	2.8
209.13585	3.1
216.06903	12.1
233.09505	15.4
236.14560	4.4
237.13083	3.2
238.16194	2.4
254.15715	81.8
255.15996	5.6
259.11136	7.1
289.08636	2.5
315.19498	2.8
339.13895	1.4
339.17319	87.8
340.17548	6.0
357.18390	100.0
358.18939	3.6
358.23630	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2056
Annotation	Galbulin
Peak:m/z	Relative Intensity
53.03944	1.2
55.05507	2.2
57.03431	3.5
57.26281	0.9
65.27168	1.1
67.05493	5.8
71.25320	1.1
71.42810	1.3
77.47748	1.0
79.05498	2.7
79.59335	1.1
81.03414	22.2
81.07053	2.8
83.04971	1.2
88.36449	1.0
91.05474	3.4
93.07045	3.6
93.41245	1.1
95.04977	18.0
95.08610	1.6
96.14580	1.0
105.07039	4.7
107.04976	1.8
107.08569	3.2
109.06509	3.7
109.10167	2.1
117.07051	1.4
119.08589	7.4
121.06509	8.3
121.10175	2.9
123.04425	6.4
123.08046	6.7
129.07080	1.1
131.08553	3.4
133.06512	1.7
133.10110	6.2
135.08058	2.3
136.58798	1.0
137.05977	1.5
137.09586	1.3
142.07729	1.6
143.08531	3.4
144.09326	1.3
145.06520	2.3
145.10139	3.6
147.08022	1.6
147.11671	1.5
151.26965	1.3
153.09103	4.6
155.08607	2.0
157.10149	4.8
159.08041	1.7
159.11707	4.4
160.08812	1.5
161.09628	2.1
163.11169	1.2
167.08542	1.6
169.10156	1.4
171.08159	1.6
171.11697	2.4
173.09645	2.5
175.07607	1.9
175.11151	1.7
175.34077	1.2
179.08534	1.7
181.10025	1.9
182.10983	1.8
183.08084	1.8
183.11620	1.9
185.09662	5.9
185.13309	1.9
187.11191	1.5
187.14792	2.0
189.12720	1.8
193.12270	1.6
197.09634	1.5
197.13301	4.5
199.11256	1.9
201.12727	1.4
203.14349	3.3
213.12677	2.9
215.10696	2.0
215.14331	2.8
221.13310	1.7
223.11168	3.2
225.12816	2.0
227.10609	1.1
227.14322	4.2
233.11681	1.7
237.12733	1.2
239.14287	2.5
241.12234	7.5
241.15866	2.1
257.15494	2.5
269.19016	2.4
279.17401	6.0
297.18430	13.7
298.18741	1.3
301.14471	1.4
315.19513	24.5
316.19815	2.2
357.20364	100.0
358.20554	7.6
381.75693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01870	4.5
55.05513	3.6
57.03426	5.5
58.00585	0.8
60.12978	0.9
63.27901	1.2
64.16456	1.1
65.03952	1.4
67.05501	13.0
69.03431	1.3
69.07058	3.7
69.93828	2.9
77.03916	1.1
79.05491	12.7
81.03419	38.6
81.07049	7.3
83.04977	2.0
91.05470	9.5
93.07048	9.3
95.04967	20.6
95.08604	13.9
97.06539	1.4
98.22789	1.4
103.05466	4.8
105.07024	30.8
106.07344	0.9
107.04964	2.6
107.08597	5.5
109.06516	36.4
109.10159	1.5
110.82274	1.0
115.05466	4.1
117.07047	5.2
119.08582	24.1
121.06505	14.9
121.10122	10.5
123.04472	1.6
123.08060	34.9
128.06215	1.6
128.74336	1.0
129.07002	6.3
131.04903	1.2
131.08563	10.2
133.06490	23.4
133.10144	7.0
134.06825	1.0
135.08017	6.1
135.11671	3.0
137.09628	1.1
141.06949	1.2
142.07777	4.1
143.08568	5.2
144.09326	6.2
145.06487	5.5
145.10135	5.7
147.08061	5.9
147.11690	2.9
149.09624	3.8
155.08597	3.2
156.09372	6.1
157.10115	9.7
159.08061	2.6
159.11696	15.0
161.05971	100.0
161.09567	5.2
161.13232	5.5
162.06364	3.2
163.11200	2.9
165.07086	1.8
167.08591	4.0
168.09299	1.5
169.10149	4.3
170.10878	3.7
171.08112	2.5
171.11682	15.4
172.08968	1.0
173.09601	7.2
173.13275	2.7
175.07576	2.5
175.11183	8.7
175.14806	5.7
177.09090	2.0
177.12819	1.0
179.08469	2.2
180.09198	1.1
181.10109	5.1
182.10905	7.0
183.11703	4.0
184.12515	1.0
185.09613	3.4
185.13245	8.1
187.11211	4.4
189.12758	12.1
192.09477	1.2
193.10112	2.1
194.10834	1.9
194.19902	1.0
195.11644	4.8
196.08748	1.4
196.12540	1.3
196.53171	1.0
197.09631	1.5
197.13240	36.1
198.13815	2.1
199.11203	3.1
199.14769	6.0
201.08904	1.1
201.12811	1.6
203.14301	11.8
206.10803	1.1
207.11713	3.4
208.12405	1.5
209.09587	2.1
209.13249	3.4
210.10506	1.6
211.11128	3.4
211.14784	4.7
213.12669	1.4
213.16411	1.2
215.10658	1.8
215.14319	2.8
221.13188	2.0
223.11279	1.9
223.14801	4.4
225.12730	2.7
227.10747	1.4
227.14345	1.3
229.12244	3.6
232.12479	1.0
233.69119	1.0
235.11238	1.7
235.14815	1.6
237.12793	2.8
239.14372	3.1
241.15862	7.2
249.12721	1.7
249.14871	9.0
250.13509	1.7
251.17986	2.6
253.15680	1.1
255.13646	1.4
255.17517	1.9
261.16394	2.8
263.13889	1.4
263.16443	11.3
269.19025	4.2
279.17413	17.2
297.18481	40.7
298.19012	1.6
315.19626	4.0
357.20569	27.2
357.24817	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
52.99181	1.4
53.03937	4.7
55.01864	3.7
55.05505	5.9
55.42350	1.3
57.03437	7.8
60.35950	1.3
62.76699	1.3
65.03948	2.2
67.05498	28.0
67.44095	1.3
69.03433	3.0
69.07063	5.6
69.36122	7.5
78.93025	1.3
79.05492	12.5
81.03410	96.0
81.07047	12.7
81.58073	1.2
82.03737	1.4
83.04984	4.0
83.08620	2.9
91.05468	14.8
93.07034	14.7
95.04964	39.3
95.08596	34.0
97.06549	1.8
100.14932	1.2
103.05493	2.3
105.04503	1.4
105.07018	33.9
107.04950	6.7
107.08578	10.2
109.06510	74.1
109.10157	3.9
115.05414	1.7
116.06222	1.7
117.06998	9.4
119.05002	1.2
119.08569	46.7
120.08893	1.3
121.05607	2.2
121.06491	32.6
121.10136	4.4
123.04401	4.7
123.08059	67.3
124.08360	2.0
128.06177	3.7
129.06998	12.2
130.07816	3.0
131.04871	2.6
131.08546	24.0
133.06519	4.1
133.10123	10.2
135.08032	13.7
135.11714	5.1
137.09607	1.5
141.06984	4.1
142.07762	9.2
143.08575	10.3
144.09357	14.9
145.06473	9.3
145.10132	11.9
147.08047	9.8
147.11684	5.3
149.09608	5.2
153.06961	2.6
155.08545	6.5
156.09334	13.8
157.10112	26.2
158.07368	1.4
158.10663	1.3
159.08034	6.2
159.11676	33.4
160.08859	2.6
161.06015	1.4
161.09601	14.1
161.13213	7.1
163.11182	4.4
165.06978	2.2
165.09103	1.4
167.08566	11.0
169.10152	8.5
170.10890	9.2
171.08057	4.4
171.11664	33.8
173.09607	13.3
173.13290	6.7
174.10236	1.7
175.07632	1.7
175.11145	10.6
175.14806	6.6
179.08527	2.9
180.09308	2.9
181.10092	6.3
182.10899	17.0
183.07996	2.8
183.11668	11.5
185.09641	8.6
185.13234	24.3
185.14732	2.0
186.10329	2.7
187.07608	1.4
187.11203	8.6
187.14827	4.9
188.11993	2.6
189.09114	1.9
189.12712	18.6
192.09323	1.6
193.10162	2.1
194.10939	3.2
195.11659	8.2
196.08878	1.6
196.12445	3.3
197.09575	3.3
197.13240	100.0
198.13811	4.9
199.11153	5.7
199.14801	16.8
201.09230	1.5
201.12698	4.0
201.16469	1.9
202.13429	1.6
203.14307	25.5
206.10802	2.8
207.11650	5.2
208.12439	2.2
209.09602	4.2
209.13246	6.4
211.11215	6.8
211.14810	11.9
213.12700	5.8
215.10698	3.2
215.14261	8.5
219.11627	2.2
220.08798	1.8
220.12480	1.7
221.09657	1.8
221.13260	3.8
222.13979	2.0
223.11163	5.6
223.14828	5.9
225.12737	4.7
227.10643	3.3
228.11507	1.4
229.12202	5.2
229.15918	1.7
231.11682	3.0
235.11174	2.4
235.14806	3.3
236.11871	2.5
237.12770	4.7
237.16324	2.5
239.14325	4.7
240.14928	1.8
241.12244	4.4
241.15837	12.5
246.14081	3.1
249.14790	10.0
250.13544	4.1
251.17946	4.5
253.15871	2.0
254.16534	3.2
255.13812	2.0
255.17361	2.1
261.16357	4.3
263.16391	21.6
264.15213	1.7
269.08051	1.7
269.15576	2.3
269.19040	8.4
279.17422	28.3
280.17917	2.7
297.18469	55.7
298.18732	2.1
315.19553	5.2
333.27493	1.4
357.20508	32.3
357.24728	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	357.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
57.03438	5.7
65.03964	2.0
67.05497	12.2
69.03426	4.2
69.07063	3.2
70.97509	2.9
71.05001	3.3
79.05497	5.7
81.03416	19.8
81.07055	5.1
83.04994	2.3
87.74425	1.9
91.05479	8.7
93.07031	6.7
95.04973	23.9
95.08599	15.9
97.06554	2.6
99.08194	2.1
103.05496	2.2
105.07041	9.0
107.04945	4.0
107.08606	8.3
109.06517	6.2
109.10167	12.9
115.05403	1.8
119.04924	2.3
119.08586	12.1
121.06503	12.3
121.10146	6.7
123.04443	13.0
123.08044	5.8
123.11712	3.7
125.09598	2.9
129.07024	3.5
131.04936	3.6
131.08565	5.0
133.10121	10.9
135.08089	6.8
135.11685	2.8
137.05971	7.0
137.09622	2.2
142.07780	2.7
143.08551	4.2
145.06487	8.3
145.10138	8.3
147.08047	6.9
147.11703	4.0
149.09615	2.6
151.11198	2.5
155.08609	3.4
156.09335	3.5
157.10143	7.7
159.08061	7.1
159.11708	8.3
161.09656	6.8
161.13286	2.6
163.11195	4.1
165.12752	4.4
169.10165	4.0
171.08139	3.5
171.11682	5.7
172.08852	2.4
173.09599	4.6
173.13239	5.8
175.07655	2.2
175.11203	7.9
181.10092	4.6
181.15927	2.1
183.08139	2.5
183.11710	4.5
185.09608	7.7
185.13312	3.8
186.10326	2.0
187.11203	7.8
187.14841	3.1
189.09105	3.0
189.12775	8.9
191.14311	2.4
195.11615	2.8
197.09628	3.7
197.13290	5.8
199.11195	10.2
200.11992	3.2
201.09198	2.8
201.12767	5.4
203.14284	9.6
207.11653	2.0
207.13809	2.8
209.09668	5.0
211.11241	6.7
213.09074	2.2
213.12794	4.8
215.10733	13.2
215.14325	13.2
223.11195	1.7
223.14838	2.6
225.12747	5.6
227.10754	3.5
227.14377	3.3
229.12376	2.5
237.12616	2.9
239.14374	3.8
241.12236	3.4
241.15863	4.1
250.13603	2.1
251.17912	2.9
253.02083	2.5
253.15875	2.3
255.13716	2.9
264.15002	2.6
269.15738	2.8
269.18930	20.6
270.19177	1.8
271.13409	2.5
279.17532	17.4
287.16379	3.2
297.18503	100.0
298.18814	6.9
315.19528	89.7
316.19922	5.1
339.19449	10.3
357.19821	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	357.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01852	5.9
55.05513	8.5
57.03419	5.3
57.07058	2.7
61.02911	3.0
65.03937	2.0
67.05492	15.7
69.03419	4.9
69.07057	7.1
70.06576	3.1
71.04983	2.5
77.03889	1.6
79.05481	16.2
80.79076	1.5
81.03407	55.8
81.07056	14.9
83.04961	6.5
83.08631	2.6
85.06536	2.0
89.34349	1.4
91.05468	23.3
93.07039	19.7
95.04960	27.6
95.08597	24.4
97.06512	4.0
99.08083	2.2
103.05485	2.9
105.07007	26.2
107.04960	10.1
107.08575	23.1
109.06518	23.7
109.10144	9.6
111.08060	8.0
115.03939	3.0
115.05446	3.0
117.07031	13.4
119.04929	3.4
119.08569	33.7
121.06490	32.2
121.10131	29.6
122.10446	1.6
123.04416	20.8
123.08069	16.7
123.11620	2.2
125.05972	2.7
125.09628	2.2
128.06207	4.9
129.06998	13.2
130.07745	1.7
131.04880	11.4
131.08543	17.8
133.06473	11.3
133.10097	18.5
135.08044	26.4
135.11690	17.5
137.05946	8.5
137.09607	6.3
141.06941	8.3
142.07738	11.9
143.08537	19.3
144.09332	4.6
145.06477	27.4
145.10103	23.9
147.06866	2.9
147.08028	52.9
147.09157	2.8
147.11682	6.8
148.08400	2.2
149.09625	6.6
149.13292	2.5
151.07529	4.9
153.06950	4.6
154.07727	3.4
155.08530	16.3
156.09293	7.6
157.06461	5.7
157.10103	29.8
158.07231	3.0
158.10780	2.4
159.08022	11.6
159.11670	19.0
161.06000	1.8
161.09564	10.2
161.13283	5.2
163.11160	28.8
165.05537	3.2
165.07016	8.2
165.09123	5.0
165.12912	1.6
166.07779	3.7
167.07097	3.1
167.08568	13.3
168.09326	3.6
169.06491	4.9
169.10132	18.1
170.07253	3.5
170.10857	2.7
171.08023	18.9
171.11673	21.1
172.08820	4.9
173.09613	17.9
173.13220	11.1
174.10405	3.6
175.07544	2.0
175.11139	8.9
175.14790	5.1
177.09070	4.9
177.12747	5.0
178.07722	1.8
179.07021	6.3
179.08546	6.8
180.09264	2.6
181.06493	6.5
181.10065	14.8
182.07233	2.2
182.10893	5.7
183.08051	12.7
183.11652	12.3
185.09596	30.2
185.13148	8.8
186.10326	3.6
187.11139	26.3
187.14816	5.8
189.09055	3.8
189.12724	17.0
191.10709	2.0
192.09377	2.4
193.10146	4.7
194.07272	1.8
194.10909	4.1
195.08032	6.3
195.10091	3.1
195.11667	13.9
196.08728	2.5
196.12469	2.3
197.09564	12.9
197.13225	22.0
198.10426	4.6
198.13850	2.2
199.07590	2.2
199.11134	23.1
199.14789	4.1
200.11832	4.1
201.12762	12.0
203.10635	2.4
203.14311	4.9
206.10970	2.1
207.11659	5.5
208.12489	2.5
209.09631	29.0
209.13258	13.1
210.10251	3.5
211.11208	18.4
211.14792	4.7
212.12024	3.5
213.09076	2.2
213.12730	14.0
214.13443	1.9
215.10907	1.9
215.14310	20.7
221.09731	1.8
221.13293	3.9
222.13857	1.9
223.11223	12.4
223.14848	5.3
225.12706	10.7
226.13371	3.1
227.10789	3.3
227.14273	50.7
228.14687	2.7
229.15791	2.0
231.11697	3.5
233.15352	2.9
235.11156	3.7
235.14793	2.5
236.11926	3.6
237.12726	7.5
239.10707	2.6
239.14252	10.6
241.12270	6.6
241.15784	8.7
241.19418	1.9
246.13905	1.9
249.12740	2.2
250.13377	2.9
251.14368	5.9
251.18033	6.9
253.15901	6.1
254.13023	7.0
255.13795	2.2
255.17392	4.3
261.16251	2.2
263.16592	2.1
264.15112	2.4
267.67789	1.7
269.15378	5.0
269.18997	18.4
271.16663	1.8
273.18564	1.7
279.17401	51.8
279.20328	3.4
280.17694	3.8
282.16159	5.1
292.38501	2.2
297.18451	100.0
298.18835	6.6
315.19482	13.7
321.18423	3.4
339.19550	7.4
357.20557	62.5
357.25391	4.3
358.20856	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	357.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47750	3.5
52.20987	4.0
67.05486	14.6
79.05503	6.7
80.94818	5.5
81.03399	18.8
81.07035	7.5
91.05447	10.0
93.07028	7.9
95.04958	28.9
95.08591	18.7
97.26192	3.8
105.07034	7.8
107.04967	4.2
109.06524	7.0
109.10138	12.1
117.07027	4.7
119.08585	13.4
121.06506	15.1
121.10140	7.8
123.04424	17.5
123.08054	5.6
127.73202	4.4
133.10161	9.9
135.08070	8.8
137.05966	4.8
145.06471	12.6
145.10123	6.5
147.08003	5.1
149.09554	4.8
157.10103	6.2
159.08052	8.0
159.11659	10.1
161.09572	7.8
163.11160	5.5
171.11671	10.0
183.11678	4.4
185.09633	10.3
187.11098	9.8
189.12706	9.4
197.13254	7.2
199.11229	10.1
203.14317	9.4
213.12787	6.0
215.10661	13.9
215.14352	10.6
225.12721	4.9
269.18994	19.5
279.17361	12.8
287.16638	5.1
297.18494	100.0
298.18851	9.6
315.19528	85.8
316.19809	9.1
334.90402	6.0
339.19495	7.1
357.20441	18.6
357.26440	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.5
57.03428	6.5
57.07070	24.9
67.05208	3.4
67.05506	37.0
69.07067	51.4
70.06590	17.4
70.68218	4.0
70.68550	3.2
71.04985	3.6
71.08625	9.6
75.98949	3.2
79.05492	19.3
81.07043	34.8
83.08623	35.5
85.10181	8.2
88.07617	17.1
91.05470	5.6
93.07036	33.6
95.04966	3.4
95.08601	35.3
97.06520	10.8
97.10149	19.3
102.09186	4.5
105.07024	3.8
106.08660	12.7
107.08582	18.9
109.10158	25.1
111.08066	5.8
111.11713	5.6
121.10142	37.2
123.11665	7.0
125.09620	3.4
125.13299	2.8
129.05478	3.0
135.11699	28.3
139.11238	3.5
148.47191	3.1
149.13258	16.9
163.14784	6.7
165.16368	4.7
167.05486	2.9
191.17958	4.3
226.35149	2.7
226.37772	3.0
247.24223	32.0
265.25323	24.6
321.51968	2.7
339.28937	16.4
339.34506	4.4
357.08426	6.0
357.24136	7.8
357.35535	100.0
358.36688	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00652	1.7
55.01878	2.0
57.03432	15.4
61.02917	8.6
67.19290	1.9
69.03430	17.2
70.06584	2.1
73.02921	32.6
84.08115	2.3
85.02904	47.3
87.04453	3.7
91.03931	3.5
97.02891	21.7
98.97593	5.8
99.04444	2.8
103.71832	2.2
108.04494	3.9
109.02825	2.0
115.03923	17.6
116.98609	4.1
119.01894	3.1
127.03912	15.9
133.04959	5.7
134.99596	2.0
144.10216	2.9
145.04929	33.0
150.09161	3.9
156.03288	5.5
159.71417	2.0
163.06013	13.5
168.10182	6.7
174.04346	5.7
177.00911	10.8
178.01009	3.2
186.04375	8.8
187.04752	6.5
196.09673	23.1
204.05455	8.5
205.05716	3.2
209.10234	3.5
217.04059	6.0
219.01971	23.6
220.02078	3.9
229.05692	2.6
233.03641	4.3
243.01958	11.9
246.06480	3.7
261.03052	100.0
262.03256	16.1
279.00543	3.7
284.04825	2.7
286.06168	3.2
295.10345	2.6
298.06122	5.9
298.11551	4.4
308.04562	4.8
316.07339	10.3
321.22269	2.3
326.05743	28.3
327.05807	3.6
358.08191	5.6
358.14792	3.3
358.25122	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24025	3.1
52.49763	2.9
55.05512	4.7
58.07761	3.0
65.90279	2.9
67.05517	3.4
70.06578	4.0
71.42617	3.8
79.05518	3.7
81.03420	6.5
81.07059	21.3
83.02555	3.5
83.05018	3.4
87.04479	13.4
91.05479	4.7
93.07062	8.6
95.04951	4.6
95.08612	10.2
105.07057	4.8
109.06543	11.4
111.04465	8.1
119.08568	8.6
121.10174	6.0
124.08392	4.6
133.10109	4.0
134.10718	4.1
137.05968	75.6
158.10545	3.3
161.09555	4.1
198.13550	7.4
218.50723	3.2
231.17505	6.8
245.00851	3.5
277.17987	100.0
278.18280	5.2
280.17874	4.8
295.19043	24.5
296.89218	3.3
298.18857	5.9
358.08450	3.8
358.29691	3.5
359.11368	3.7
359.21783	4.5
382.59283	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	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.7
67.05491	16.7
67.13457	4.9
69.03423	5.8
69.07063	20.6
69.83768	5.0
70.06570	4.5
79.05479	16.4
81.07057	61.9
83.08599	12.3
84.98756	5.9
91.05459	10.2
93.07034	29.1
95.08598	53.5
105.07043	29.5
107.08577	36.6
109.10168	26.9
119.08582	40.0
121.10120	36.7
123.11684	15.4
125.09621	6.5
129.07053	7.2
131.08569	15.7
133.10114	39.1
135.08086	13.4
135.11658	15.9
137.06012	6.6
142.07758	5.4
143.08549	10.6
145.10097	35.2
147.11678	20.2
149.09610	15.7
149.13243	18.4
151.11108	9.2
157.10115	23.5
159.11674	45.8
161.09584	12.1
161.13348	31.1
163.11223	6.5
163.14824	10.0
171.11688	29.1
173.13264	26.2
175.11191	5.9
175.14864	13.0
185.13272	27.6
187.14911	28.1
189.16357	30.2
199.14786	26.2
201.16451	7.8
204.89690	6.6
205.15855	36.8
213.16379	25.6
217.15866	16.4
227.17921	19.8
243.20944	7.1
269.22626	79.4
270.22839	6.7
287.23660	100.0
305.24695	21.1
329.65155	5.3
358.13266	5.5
358.23718	55.8
359.21832	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	358.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
57.07076	7.6
58.06588	0.7
62.06092	0.4
65.83583	0.3
67.05501	0.3
68.04988	0.4
69.07050	0.4
69.28071	1.7
70.06589	13.5
71.08628	3.4
72.13066	0.3
79.05492	0.3
83.08630	0.3
85.10158	1.3
86.06078	0.3
87.04463	0.3
88.07629	17.0
89.07944	0.6
102.09177	3.8
106.08662	10.0
162.06354	0.3
296.33243	0.4
314.34219	0.9
340.35675	7.7
341.35980	0.8
358.36758	100.0
359.37112	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	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03931	1.2
55.05513	1.0
57.03424	2.1
63.60183	0.6
69.03429	1.0
69.07043	0.8
69.38282	3.6
73.02904	0.7
75.04469	0.8
75.31956	0.6
75.32404	0.6
77.03884	0.8
77.64193	0.7
79.05486	9.3
81.07052	2.7
83.01343	0.9
84.04568	0.8
85.02887	0.7
86.09696	5.2
87.05605	0.7
91.05470	8.7
93.07040	46.4
94.07314	0.9
95.04974	4.1
95.08595	1.7
97.67548	0.6
98.23380	1.0
101.02382	1.5
103.05482	0.8
105.04510	1.9
105.07024	9.5
105.89440	0.7
107.08594	2.3
111.08067	0.7
119.08576	2.1
121.10137	100.0
122.10468	1.9
123.08060	2.0
123.11710	1.2
131.08578	1.7
137.05925	1.4
139.11205	1.3
147.95193	0.7
149.09598	10.3
155.11699	0.8
167.10675	5.6
200.13928	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	359.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05509	1.9
57.03432	1.9
57.62988	0.8
67.05486	0.9
69.03426	1.6
69.41933	1.7
69.42316	2.3
70.06578	4.9
72.08156	1.9
73.02900	0.9
75.02223	1.1
79.05489	10.2
81.07066	1.6
82.24713	1.0
83.84348	0.9
84.08135	1.4
85.02908	2.1
86.09724	6.2
87.04458	2.3
88.04832	0.9
91.05482	11.0
93.07043	51.0
94.07401	1.0
95.04967	4.0
95.08591	2.3
101.02386	1.1
105.04502	1.8
105.07033	6.9
107.04991	1.0
107.08585	4.9
109.06535	1.1
116.54358	1.0
119.04972	1.3
119.08593	2.5
121.10143	100.0
122.10477	2.1
123.08076	1.1
131.08569	1.6
133.07632	1.2
133.10143	2.4
135.11676	3.8
137.05980	3.3
139.11163	2.0
149.09605	8.3
161.09592	1.5
167.10654	5.5
175.07562	1.4
179.10675	5.0
195.06686	1.0
197.11720	15.2
208.37816	0.9
212.07375	4.1
213.07713	7.8
382.36383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19893	1.3
69.03400	2.4
69.07079	3.8
81.03408	4.5
83.04972	4.6
84.08131	2.3
85.02903	3.9
91.05476	1.7
105.07014	2.2
109.02876	3.6
110.75842	1.3
114.66324	1.2
127.03876	4.4
131.94748	1.2
135.08066	2.6
135.98410	1.4
185.04204	27.7
186.25609	1.4
197.11473	64.1
198.11795	2.9
204.98595	1.8
359.16718	100.0
360.17505	2.7
360.25751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
54.37343	1.7
55.05510	15.3
57.03423	2.5
57.07080	3.6
59.04988	4.7
60.12014	1.6
61.99564	1.5
65.03928	1.5
67.05499	2.7
69.03423	32.2
69.07066	100.0
69.18416	3.2
69.18813	9.3
71.05003	8.4
81.03420	21.4
81.07063	2.5
83.04965	2.3
85.02908	7.5
87.00816	5.8
91.05491	2.2
93.67332	1.4
97.02882	4.9
99.04454	24.6
102.70103	1.7
109.02866	7.9
111.04436	5.4
111.11102	1.5
111.11723	11.9
125.52729	1.5
127.03914	23.2
129.12756	13.2
136.07544	2.5
143.03374	5.9
145.04919	3.5
157.12247	3.3
159.08044	3.3
165.06999	2.1
185.09584	2.5
187.06070	2.4
199.11165	2.3
213.03938	16.3
215.12570	2.6
231.04994	24.0
237.14438	2.8
255.10077	6.1
287.14636	5.1
298.23651	1.7
298.26755	1.8
341.15875	5.7
350.22827	5.4
359.09576	2.9
359.16760	13.1
359.23276	34.7
359.73669	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	359.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11875	1.8
53.03939	7.9
55.01868	2.6
55.05504	3.7
57.03435	5.1
65.03938	63.3
67.05506	5.4
69.03432	3.2
69.07069	3.7
70.06577	5.9
70.50176	4.1
73.84407	1.8
75.04340	1.7
75.35077	1.7
77.03922	3.4
77.31825	1.8
79.05489	29.8
81.03404	16.2
81.07040	6.3
83.04955	5.8
91.05474	5.4
93.03399	29.9
93.07018	6.1
95.04957	60.7
95.08602	4.6
97.02922	2.2
97.06514	8.5
105.04531	5.5
105.06993	10.9
107.04961	2.5
107.08612	3.1
109.02887	20.6
109.06488	3.5
119.01284	36.2
119.08595	15.6
121.06500	4.5
121.10084	5.2
123.04446	2.5
123.08054	2.5
125.06003	3.3
128.06200	2.1
131.08553	5.3
133.06496	2.5
133.10098	19.4
135.08028	4.2
135.11688	3.0
137.02327	46.6
137.09592	10.8
141.05424	3.1
142.07770	3.1
143.08546	2.9
145.10092	5.3
147.08076	5.8
147.11658	6.1
149.09624	6.4
151.03896	100.0
153.05399	2.9
155.03429	5.3
155.08539	2.4
156.09393	4.4
157.10115	8.8
159.11688	3.1
161.09605	5.4
161.13237	11.7
165.05397	3.0
169.04942	80.5
169.10162	2.5
170.05304	2.0
171.11662	9.3
173.13246	8.2
174.10310	2.6
174.46066	2.1
175.11172	10.5
183.11682	4.3
184.12318	2.2
185.09555	1.8
185.13275	2.3
189.12744	40.5
190.13490	5.5
191.14284	22.0
193.08585	2.5
197.13092	1.9
199.11125	2.7
201.12697	2.6
201.14558	2.2
203.14397	2.1
209.09647	2.2
209.13202	2.0
213.12823	6.0
217.12247	7.7
225.12799	2.6
227.14261	2.2
231.13841	2.4
235.13246	3.9
243.13744	2.2
249.14919	7.1
253.15652	3.0
271.13324	4.2
272.70370	2.2
273.17569	1.9
281.15530	2.2
299.16367	3.5
307.62054	1.9
309.14914	8.0
327.15860	20.2
341.17627	2.4
359.08603	2.6
359.18561	9.1
360.25192	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	359.2193
Annotation	Bengamide E
Peak:m/z	Relative Intensity
50.40102	0.5
55.01858	0.6
55.02470	0.5
55.05499	1.1
57.03426	1.9
57.07076	0.9
67.05505	0.8
69.03428	0.7
69.07052	0.8
69.76851	1.0
69.77245	0.9
79.05491	1.2
81.03410	0.8
81.07043	1.2
83.04981	1.1
84.79539	0.4
91.05479	2.1
93.07047	1.3
95.04966	0.9
95.08615	0.5
97.06507	0.6
105.07036	2.3
107.04949	0.5
107.08575	1.0
109.06516	0.6
111.04406	0.7
111.08097	0.5
117.07037	0.6
119.08583	1.9
120.05487	1.9
121.06562	0.5
121.10132	0.8
123.08101	0.9
127.03945	0.5
128.06230	0.7
129.06960	0.5
131.05080	0.4
131.08589	1.1
133.06483	0.8
133.10127	1.0
135.08112	0.6
135.11649	0.5
137.02486	0.5
142.07802	0.8
143.08560	1.4
145.10162	1.0
147.08063	1.2
147.11668	0.9
149.09668	0.9
155.08603	1.1
156.09349	1.0
157.10101	1.7
159.08006	0.9
159.11633	0.8
161.09665	1.7
163.07492	0.5
165.06984	0.5
169.10143	1.0
170.10878	1.1
171.11667	1.3
173.09660	1.3
173.13310	0.8
175.07538	1.0
175.11229	2.0
181.10150	0.6
183.08055	0.8
183.11655	1.6
185.09662	0.8
185.13295	2.4
187.11186	1.3
189.12689	3.2
193.10109	0.8
195.11691	0.9
197.13234	0.7
198.10359	0.5
199.11230	1.2
200.12077	0.7
201.12816	0.5
203.14362	0.9
206.10846	0.5
208.12440	0.4
211.11040	0.5
213.12711	5.1
214.13385	0.8
214.87257	0.4
215.14305	2.9
217.12210	1.9
218.12840	0.6
219.13786	0.8
223.14827	0.7
225.12688	0.9
227.14304	0.7
229.12219	0.7
231.13805	2.0
239.14406	0.6
243.13956	0.5
249.14828	0.9
253.12213	0.9
253.15846	0.5
271.13416	1.1
271.20508	0.5
273.14536	0.7
281.15433	1.6
288.17044	0.7
299.13177	0.7
299.16702	0.9
299.20099	2.6
309.14865	0.7
313.17993	1.5
327.16248	3.3
341.17331	0.6
359.18591	6.0
359.21954	100.0
360.22208	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	359.2191
Annotation	Bengamide E
Peak:m/z	Relative Intensity
53.24224	1.0
55.05518	1.6
58.96040	1.1
70.06599	1.1
83.08617	1.2
100.11243	3.2
100.85516	1.0
123.08044	0.9
157.25093	1.2
180.67976	1.1
212.52975	1.3
236.06964	1.0
290.23172	1.1
329.20929	7.9
359.21924	100.0
360.22330	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	359.2192
Annotation	Bengamide E
Peak:m/z	Relative Intensity
50.96858	0.6
70.26841	0.5
71.43677	0.5
81.07053	1.0
149.15071	0.5
172.70221	0.6
184.58916	0.6
212.52312	0.5
281.45651	0.6
299.19998	0.9
315.19287	12.3
316.19571	0.9
359.21893	100.0
360.22244	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32845	6.5
69.13783	13.8
69.14188	38.2
70.86089	6.3
71.21758	6.4
85.02889	10.6
86.09708	14.3
105.82256	8.2
117.03376	7.6
127.49114	6.7
135.04401	13.5
145.02867	12.1
158.34315	6.4
163.03889	100.0
181.04903	48.7
197.94398	7.7
224.54800	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
57.03436	0.8
61.02922	1.1
69.03429	3.4
69.36257	1.5
69.36659	0.9
70.89417	0.4
72.08152	0.7
73.02911	0.7
73.16392	0.4
79.05496	0.5
81.03412	1.1
85.02399	0.9
85.02899	11.1
86.09684	0.9
89.03922	3.7
91.03940	0.5
92.18583	0.4
97.02880	3.6
99.04471	0.8
107.04937	1.7
109.02826	1.0
111.04391	0.5
117.03368	5.9
127.03909	1.5
133.02940	0.8
135.04410	13.5
139.03893	0.7
145.02841	11.5
145.04898	2.4
163.03893	100.0
164.04234	2.4
179.03391	0.6
180.08669	0.8
181.04947	38.5
182.05283	0.9
198.07475	0.6
199.79832	0.4
368.62454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83689	0.9
57.03433	1.2
64.19212	0.9
69.49502	4.9
72.08162	1.3
79.05472	1.2
85.02898	7.7
86.09705	3.8
89.03913	4.0
97.02874	2.5
107.04939	2.3
107.05685	0.9
114.04181	0.9
117.03358	5.1
124.19613	0.9
127.87762	0.9
135.04408	11.9
145.02829	9.3
145.04987	1.4
151.58409	1.1
163.03888	100.0
164.04247	2.8
179.03432	1.4
180.08676	1.0
181.04935	38.2
234.29288	1.1
245.20413	0.9
359.41718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19469	3.1
52.27987	3.1
53.25644	3.3
57.03425	4.4
61.02922	30.9
69.03436	18.4
70.04350	5.1
70.04656	5.1
72.08131	3.4
73.02922	11.2
81.03417	7.2
85.02907	100.0
91.03961	29.8
97.02888	29.8
99.04498	6.9
109.02888	9.9
115.03967	3.9
127.03918	40.9
139.84007	3.4
142.57535	2.8
144.10210	15.0
145.04958	55.1
163.03932	4.9
163.06012	42.7
181.07172	2.9
217.13068	4.4
287.31766	3.4
323.25958	3.3
351.80402	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
64.83881	0.3
67.05476	0.4
67.19080	0.4
68.49139	0.4
69.03407	1.0
70.74641	0.6
73.02909	0.6
79.05479	0.5
81.03406	0.7
83.59692	0.4
85.02902	3.2
91.05484	1.5
97.02882	1.5
99.04426	0.4
105.07050	0.5
107.08595	4.8
109.02894	0.6
109.06493	0.6
115.05428	1.8
117.06992	3.7
127.03926	0.8
135.08041	100.0
136.08385	3.4
145.04945	0.8
163.07529	19.8
164.07860	0.7
181.08582	30.9
182.08928	1.7
204.20010	0.4
271.66650	0.4
294.21967	0.4
331.37888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99576	9.4
53.03930	14.0
55.01878	13.7
55.05508	97.0
57.03443	13.4
59.04992	42.0
60.97660	9.2
65.03948	17.9
67.05502	100.0
68.05016	14.5
69.03407	15.0
69.07070	78.1
71.04989	80.4
71.35313	14.0
79.05483	87.7
81.03416	19.4
81.07060	74.9
83.04984	24.7
83.08623	42.5
85.06545	17.3
91.05485	45.3
93.07043	60.2
95.04952	36.7
95.08611	34.5
97.06546	59.0
97.10181	53.4
105.07053	23.9
107.04979	18.2
107.08595	55.0
109.06534	19.3
109.10172	49.5
111.08064	10.7
115.07576	11.0
117.07019	18.3
119.08592	31.0
121.10157	30.1
122.77261	10.0
125.09637	46.5
131.08577	23.1
132.57648	10.3
133.10086	17.9
136.57854	9.5
145.10147	12.1
149.13193	11.8
153.12778	19.8
173.11781	44.8
189.11237	29.2
256.32367	11.1
273.18701	12.8
275.20013	17.7
342.24457	13.2
360.22137	20.5
361.23474	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03297	16.4
55.05506	43.6
67.05497	73.6
69.07059	38.0
70.06590	100.0
71.04991	57.8
71.06909	21.7
71.42933	20.9
77.67103	14.9
79.05486	69.4
81.07066	99.3
83.08633	27.3
91.05460	24.6
93.07040	93.2
95.08621	42.9
97.10129	18.8
105.07042	52.3
107.08589	63.1
109.10168	54.6
119.08568	47.7
120.08098	36.1
121.10133	70.6
125.07133	20.1
131.08586	23.0
133.10139	34.9
135.08090	29.0
145.10152	26.6
149.09651	18.0
157.10094	20.6
159.11728	20.8
173.09444	16.6
173.11746	73.8
173.13098	16.7
189.12762	31.4
191.14339	28.0
199.14839	23.1
275.20114	38.1
283.20514	30.7
301.21548	54.7
343.15045	22.1
343.22842	20.0
360.22171	57.1
361.23645	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12163	7.5
55.05510	43.2
59.05000	8.7
67.05500	82.4
67.37656	6.8
69.07066	31.4
70.06583	10.5
70.38483	6.9
71.04991	69.4
79.05484	65.9
81.07066	42.8
83.08602	19.4
87.08112	8.7
91.05478	35.9
93.07044	98.4
95.08601	26.3
97.06547	15.6
97.10164	26.1
105.07059	21.3
107.08585	49.3
109.06477	10.3
109.10146	52.6
111.08088	10.9
111.66141	7.3
119.08595	19.0
121.10148	63.6
125.09624	18.2
133.10124	15.5
135.11632	9.6
143.08557	11.4
145.10095	11.1
147.11621	10.2
149.09654	11.7
153.12709	41.5
157.10071	9.7
170.04744	7.8
171.11674	9.2
173.11720	100.0
173.13092	11.2
189.11214	13.2
275.20047	37.4
360.22165	39.9
361.19440	14.2
361.23627	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59568	1.4
71.42390	1.9
71.79877	1.5
101.00865	17.0
105.03389	10.0
119.01903	61.1
123.79555	1.6
137.02946	16.0
142.56871	1.7
149.02368	1.8
177.00854	2.5
181.03491	2.2
193.09296	1.7
199.04526	3.0
211.61407	2.0
219.01979	5.6
221.01646	1.8
225.02406	8.0
231.01411	4.7
234.99821	3.6
239.95528	2.8
249.02431	73.9
250.02541	3.5
256.96637	4.9
257.96707	23.8
258.96555	12.8
258.99863	13.8
261.03027	13.1
262.03073	3.9
263.02948	2.5
267.03467	100.0
268.03787	5.5
272.04181	2.4
272.94333	4.5
274.97684	3.6
275.97812	7.7
276.97623	5.2
277.01044	13.1
280.98294	7.3
281.98151	3.7
283.00040	7.7
295.95435	3.0
301.01022	11.1
305.08630	14.6
316.98788	3.2
318.94717	4.5
323.09695	15.2
333.24997	2.8
336.95828	3.1
338.92242	2.8
338.95990	1.7
343.02155	2.8
356.96695	14.6
361.14890	6.8
379.16003	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	361.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.5
70.06594	6.1
71.43732	3.0
77.51797	3.1
79.02082	3.4
79.05460	4.1
83.78413	2.7
84.96034	6.0
85.02890	3.2
93.07043	5.9
97.02911	4.4
98.97572	51.3
110.97569	7.8
116.98615	23.6
119.08572	3.7
120.08030	3.9
121.06522	4.2
124.99104	3.6
128.98579	9.9
129.01889	3.6
129.07069	4.1
134.99620	7.8
143.00201	7.0
146.99634	6.6
149.01248	3.7
149.05983	4.1
151.07613	3.3
152.98587	9.0
158.99652	9.5
161.01210	8.1
167.07080	6.3
170.99652	5.2
177.00793	8.2
179.02133	2.9
180.95630	3.1
184.18869	3.2
184.38733	3.2
197.09653	2.9
219.01746	13.1
237.02846	26.7
253.82022	3.6
275.08044	16.1
276.69928	3.0
280.05127	3.5
293.09061	100.0
311.10077	8.3
335.10037	10.8
361.08478	13.3
361.13214	3.9
361.20178	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	361.1129
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
69.14205	17.2
69.14610	40.8
72.65607	10.4
86.09703	14.5
88.93829	10.0
95.04969	27.1
100.84369	8.6
110.56977	8.9
123.04424	18.8
140.04662	100.0
155.07030	31.6
156.90010	9.2
164.04248	13.3
165.05414	9.1
172.90504	11.1
175.08917	9.5
181.05011	13.0
190.66777	10.0
197.50993	11.2
199.05954	50.9
212.06467	11.0
315.09088	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1493
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03944	1.5
54.12318	0.6
55.01873	7.1
55.05510	10.9
55.69364	0.7
57.03434	1.7
57.07072	3.9
59.04996	2.4
61.02924	0.8
67.05502	22.4
67.05865	1.1
69.03428	3.6
69.07072	5.9
71.04993	8.8
73.02923	3.6
79.05494	7.6
81.07055	100.0
82.07388	1.8
83.01337	4.9
83.08620	2.0
85.06543	5.5
86.09721	0.9
87.28896	0.7
89.06026	2.2
91.05489	2.4
93.07041	9.9
95.01334	2.8
95.04960	6.2
95.08598	20.8
97.06557	0.8
97.10170	8.7
99.04435	1.1
99.08070	1.3
100.57243	0.7
101.02380	6.4
105.07049	3.8
107.08575	4.8
109.06553	3.8
109.10136	3.7
111.08102	2.3
113.02377	2.3
113.06010	1.5
113.09663	1.0
116.24057	0.7
121.10164	1.2
123.08067	1.1
123.11703	71.1
124.12044	2.3
129.01843	1.5
133.10136	4.1
141.12743	2.7
151.11183	13.7
157.01349	0.8
169.12222	13.1
187.13301	9.1
213.64070	0.7
291.92285	0.8
361.14920	18.5
361.19058	0.8
362.15277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
51.02380	0.2
53.03945	1.5
55.01860	0.8
55.05505	4.8
57.03436	2.1
65.03936	1.2
67.05494	1.9
68.02641	0.6
69.03423	0.4
69.07063	1.0
71.04993	1.0
73.06547	0.3
79.05486	1.7
81.07053	1.6
83.04974	8.5
83.08613	0.3
85.06524	0.3
90.63561	0.3
91.05487	1.8
93.02873	0.3
93.03386	1.4
93.07041	2.8
95.04964	0.8
95.08589	1.9
96.02040	0.5
97.06515	0.8
97.75539	0.3
99.04446	4.6
101.06020	0.3
105.07022	2.3
107.04930	0.5
107.08588	3.8
109.06517	0.9
109.10150	3.4
111.04434	100.0
112.04751	1.9
117.07020	0.4
119.08583	2.2
121.02831	0.9
121.06529	0.9
121.10146	2.3
123.08073	1.3
123.11710	0.9
125.05960	1.7
129.06998	0.4
130.07791	0.4
131.08551	1.8
133.06496	0.4
133.10101	2.0
135.08046	1.2
135.11665	1.3
137.05911	0.3
137.09595	1.0
139.03894	4.9
143.08508	1.4
144.09254	0.3
145.06488	0.4
145.10109	1.9
147.08067	0.3
147.11661	1.2
149.06036	0.4
149.09624	1.5
149.13268	0.7
151.07635	0.4
151.11176	4.3
153.05518	0.6
153.06898	0.3
156.09306	0.6
157.10135	0.8
158.10876	0.8
159.08014	0.5
159.11639	0.5
161.09587	1.4
161.13286	0.4
163.11159	0.6
163.14845	0.3
167.07088	0.3
167.14330	0.4
169.10095	0.5
171.06488	0.4
171.07985	0.4
171.11658	0.9
173.09583	0.4
173.13237	3.8
175.11238	0.6
179.08447	0.2
179.10669	2.5
183.11649	0.6
185.09555	0.3
185.13263	0.9
186.10376	0.3
187.11157	0.6
189.09129	0.4
189.12732	0.8
191.10703	0.3
191.14288	6.5
193.12325	0.4
197.09587	0.4
197.13181	0.4
199.11130	0.5
199.14864	0.7
201.12776	0.3
205.12242	0.3
205.15881	0.8
207.13777	0.7
209.13393	0.4
209.15350	3.9
213.12694	0.6
217.12160	0.3
219.13715	0.7
223.14705	0.3
227.14281	0.7
229.12318	0.4
231.13782	0.6
235.13239	0.6
235.92274	0.3
237.14655	0.5
243.13853	0.3
245.15329	0.8
255.13754	0.8
265.15933	0.5
269.15295	0.3
273.14862	0.5
273.18320	0.3
283.16888	0.9
287.16568	0.3
289.14279	0.8
301.17950	1.1
305.17435	0.3
311.16312	1.0
329.17419	1.6
343.18948	0.6
361.20029	8.7
361.23996	0.4
362.20319	0.8
362.26648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01867	11.8
55.05494	13.6
57.03434	20.4
65.03938	20.0
65.07028	3.2
66.30032	2.9
67.05497	14.9
69.03414	7.8
69.07059	9.9
70.06576	6.4
71.04979	8.9
71.42841	3.4
77.03923	3.6
79.05492	21.2
81.03415	12.1
81.07040	14.8
83.04977	8.7
83.08569	3.8
85.06580	3.6
89.60339	3.7
91.05473	23.8
93.03382	10.3
93.07045	18.9
95.04955	38.2
95.08599	8.4
97.02911	6.0
97.06513	9.8
100.11233	8.3
105.07021	28.6
107.04919	10.1
107.08594	22.4
109.02872	15.3
109.06499	8.1
109.10155	8.8
110.36803	3.6
111.04428	21.0
111.08065	5.2
115.05463	6.7
117.07013	18.0
119.01291	11.8
119.08566	19.3
121.06490	9.5
121.10141	59.9
123.08058	11.3
123.11711	4.5
125.06058	3.6
125.09557	4.9
128.06239	7.9
129.07004	12.9
131.08575	28.6
133.06528	8.2
133.10133	14.2
135.04346	3.5
135.08046	12.4
135.11720	6.8
137.02350	22.0
137.05933	5.3
137.09660	4.7
141.07016	8.1
142.07808	6.0
143.08563	12.8
144.09343	5.0
145.10138	28.1
147.11641	8.5
149.05986	4.2
149.09633	18.5
151.03889	25.4
151.07541	8.9
151.11229	8.7
153.07011	4.1
155.08588	14.4
156.09314	6.2
157.10086	16.8
158.07202	4.5
158.10857	4.2
159.08035	8.7
159.11711	25.2
161.09622	12.1
163.07700	4.0
163.11151	40.1
165.05408	5.0
165.06877	4.4
166.07779	5.4
167.07332	3.6
167.08519	20.1
168.09312	7.7
169.04974	18.2
169.10139	22.3
170.06842	3.5
171.08043	7.6
171.11659	17.4
173.09598	10.0
173.13249	19.2
175.11194	7.7
177.09093	6.5
177.12814	5.8
179.07092	7.8
179.08499	7.7
180.09329	5.1
181.10089	17.6
182.10954	24.1
183.11652	16.7
185.09627	7.7
185.13216	8.5
187.11172	10.3
187.14853	6.8
189.12766	5.1
191.14281	14.7
193.10188	12.4
194.10844	8.6
195.08006	4.6
195.11679	18.5
197.13258	99.3
198.13814	8.6
199.07550	4.6
199.11235	6.8
201.12701	20.1
205.08600	6.3
207.11693	10.3
208.12469	9.8
209.13226	12.6
211.11186	7.2
211.14763	6.6
213.09209	3.9
215.14264	24.9
219.11911	4.9
219.13837	16.4
220.12480	12.3
221.13225	17.2
221.15367	12.7
221.20644	4.5
223.11208	5.0
223.14865	13.4
225.12694	4.7
227.10463	5.2
227.14157	6.3
232.12439	5.7
233.13260	4.0
233.15384	9.4
235.14781	16.7
237.12898	7.6
237.16464	8.9
239.14328	7.2
241.12170	8.1
247.14941	12.7
249.16333	8.4
251.16460	5.6
255.13844	9.5
259.13248	6.7
265.15836	17.4
267.13809	17.0
267.17270	5.8
269.15344	9.7
271.13315	5.7
275.14175	6.2
283.13336	5.6
283.16879	9.6
285.14963	10.8
293.15350	16.0
311.16446	19.0
325.17892	6.6
329.17279	21.6
343.19028	37.0
344.22296	6.5
361.20078	100.0
361.24573	6.4
362.19681	6.0
362.27072	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	361.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
53.15150	1.3
55.01862	1.9
55.05490	6.1
55.31178	1.2
55.83074	1.2
57.03431	23.6
57.07051	1.4
57.68802	1.2
59.04972	1.9
61.02961	1.5
65.03925	7.5
67.05495	6.0
69.03405	4.1
69.07059	3.2
71.04965	2.4
77.20260	1.2
79.05484	10.2
81.03394	3.6
81.07049	10.1
83.01314	1.4
83.04964	5.2
85.02893	2.8
91.05466	12.3
93.03377	5.4
93.07034	6.9
95.04955	12.1
95.08583	3.1
97.02914	1.9
97.06537	3.3
99.04465	1.6
99.08068	1.6
105.04438	1.5
105.07011	14.3
107.04978	2.1
107.08577	9.9
109.02853	5.6
109.06504	9.1
109.10126	3.4
111.04411	4.3
115.05409	3.0
117.07021	8.0
119.01287	4.4
119.04941	2.0
119.08550	14.8
121.06472	2.5
121.10117	15.1
123.08052	6.3
123.11719	2.1
125.06016	1.0
125.09629	1.5
127.03896	1.4
128.06210	5.3
129.06982	9.2
130.07774	2.1
131.08534	15.3
133.06479	3.4
133.10120	8.1
135.04387	1.9
135.08040	4.7
135.11641	2.8
137.02344	6.7
137.05992	1.7
137.09607	5.0
139.03865	2.2
141.06987	6.2
142.07753	7.0
143.08548	13.4
144.09323	2.4
145.06473	1.9
145.10112	15.2
147.08054	4.0
147.11655	2.5
149.09613	9.4
150.10344	1.3
151.03864	10.7
151.07477	1.6
151.11143	8.5
153.05725	1.1
153.06970	4.7
154.07732	2.4
155.08531	11.4
156.09286	6.5
157.06499	2.1
157.10107	10.8
158.07228	1.4
159.08095	6.3
159.11678	16.4
160.12097	1.3
161.05968	3.7
161.09592	6.6
163.07495	2.2
163.11176	12.2
165.05569	2.3
165.06990	5.8
166.07773	3.6
167.08551	18.2
168.09296	5.1
169.04930	6.8
169.06291	2.0
169.10091	19.5
170.10870	4.7
170.94850	1.3
171.08031	3.3
171.11705	9.1
172.08788	2.7
173.09604	8.8
173.13263	8.7
175.11171	8.5
177.09085	1.9
177.12691	6.4
178.07758	1.6
179.07068	2.4
179.08556	9.6
180.09308	5.0
181.06436	2.3
181.10100	9.9
182.10907	20.3
183.08113	2.0
183.11668	12.1
184.08772	1.9
184.12370	2.1
185.09593	4.8
185.13246	5.3
186.10370	4.4
187.07660	1.5
187.11142	8.2
187.14864	2.8
188.11891	1.7
189.12714	3.6
191.10718	2.1
191.14249	4.8
192.09297	3.1
193.08604	1.9
193.10112	11.2
193.15936	1.8
194.10866	6.4
195.08095	2.0
195.11655	16.9
196.08748	2.0
196.12393	3.0
197.09528	5.2
197.13232	100.0
198.10368	1.6
198.13724	8.9
199.07553	2.0
199.11166	5.5
199.14722	2.1
200.11913	2.5
201.09024	2.8
201.12708	10.7
203.10556	2.2
203.14264	2.3
204.15038	1.3
205.10213	2.9
205.15952	1.5
206.10847	2.9
207.11626	8.1
208.12355	6.2
209.09715	1.7
209.13200	13.3
210.10378	2.4
210.13927	1.9
211.11130	8.0
211.14796	2.9
212.12033	1.4
213.09019	2.1
213.12636	3.9
215.10713	3.4
215.14305	22.7
216.14903	2.8
217.12132	1.7
217.15813	2.3
218.10902	2.1
219.11653	5.8
219.13780	10.5
220.12398	9.9
221.09615	2.5
221.13193	16.1
221.15367	11.2
222.10342	2.4
222.13753	2.0
223.11287	2.6
223.14772	14.8
224.11685	1.7
224.15166	1.4
225.09015	2.8
225.12769	5.9
225.16441	1.3
226.13348	1.9
227.10588	3.5
227.14180	6.4
228.11249	1.3
228.85187	1.3
232.12430	4.5
233.15286	13.1
234.13872	2.9
235.14842	14.1
236.11852	1.6
237.12804	8.9
237.16368	10.4
239.10674	5.5
239.14194	9.3
241.12170	2.8
241.15814	2.7
243.10063	1.6
247.14819	12.3
249.12555	2.7
249.16405	4.7
250.13560	1.6
251.14194	2.3
253.12183	2.8
253.15811	2.3
255.10080	2.4
255.13722	9.3
255.17410	2.1
257.15579	1.6
260.12213	1.3
265.15845	14.4
267.13745	15.4
267.16885	2.3
268.10947	3.6
268.14178	1.5
269.15347	8.5
270.15350	1.2
271.13181	4.1
273.14706	1.9
275.14374	2.2
279.17398	1.7
281.15244	2.9
283.13272	4.6
283.16849	5.8
285.14908	8.8
293.15329	13.6
294.15598	2.0
301.18124	2.3
311.16391	16.4
325.17825	3.2
329.17383	7.1
343.18979	39.6
344.19391	3.2
361.20010	79.0
362.20456	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01865	0.6
55.05253	0.5
55.05508	5.3
57.03436	1.9
65.03929	1.4
66.09349	0.3
67.05497	2.1
69.03426	0.6
69.07063	1.9
70.06834	1.0
71.04977	0.5
73.06543	0.4
79.05490	2.4
81.07043	2.5
83.04974	8.3
91.05482	2.2
93.03396	1.5
93.07030	3.3
95.04940	0.9
95.08617	2.3
96.02085	0.5
97.06529	1.0
99.04478	1.9
105.07004	2.6
106.05580	0.4
107.08588	4.8
107.16450	0.4
109.06518	1.6
109.10147	4.7
111.04433	100.0
112.04788	1.7
112.87634	0.3
117.07027	1.0
119.08599	2.6
121.02858	0.8
121.06504	0.8
121.10147	2.3
123.08081	1.3
123.11676	0.6
125.06010	1.1
129.07021	0.7
131.08589	2.1
133.10124	2.7
134.09662	0.6
135.08034	1.3
135.11691	2.1
137.09612	1.7
139.03889	9.0
142.07739	0.5
143.08539	1.1
143.54581	0.4
145.10094	2.3
147.03050	0.3
147.07944	0.4
147.11673	1.1
149.09579	1.1
149.13260	0.7
151.11153	3.7
153.05441	0.7
156.09406	0.4
157.10072	0.5
158.10893	1.2
159.11688	0.5
161.09613	1.6
163.07611	0.4
163.14864	0.9
167.14253	1.0
171.06535	0.4
171.11737	0.9
173.09634	0.6
173.13271	6.0
175.11130	0.8
175.14795	0.4
176.11967	0.4
179.10693	3.5
183.11604	0.4
185.13235	0.4
187.11044	0.5
191.14296	9.8
192.14650	0.4
193.12251	0.5
199.11153	0.6
203.10486	0.4
205.15805	1.0
207.13783	0.9
209.13361	0.6
209.15370	6.6
213.88634	0.4
231.13776	0.5
235.13190	0.8
241.15906	0.4
255.17447	0.4
269.15424	0.5
283.16989	1.4
287.16541	0.4
301.17975	1.0
311.16345	1.1
329.17459	1.4
343.19107	0.6
361.20105	9.1
361.24509	0.7
362.20435	0.6
362.26770	0.6
382.53635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78973	0.6
67.05465	0.8
69.03434	0.5
69.07069	0.7
69.39239	2.3
70.06580	1.1
78.46260	0.6
81.07062	1.6
82.23315	0.5
91.05466	0.6
93.07034	0.7
95.04934	0.6
97.06551	1.1
105.07037	0.9
147.04446	0.8
173.13213	1.0
299.23502	1.8
343.22400	1.9
361.23462	100.0
362.23532	7.0
362.27637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21202	0.3
56.51942	0.3
57.07060	0.6
58.06594	0.7
60.04416	0.3
69.07072	0.3
69.81550	1.1
74.06109	0.4
81.07052	0.9
86.06058	0.3
88.07628	3.0
91.81197	0.3
93.07047	0.5
96.78983	0.3
98.23412	0.5
105.07015	0.6
107.08583	0.5
119.08598	0.3
121.10159	0.6
132.10201	0.8
145.10110	0.4
204.76344	0.4
214.87776	0.3
259.23633	0.3
270.27869	2.0
285.53766	0.4
301.21664	0.7
314.30481	0.6
317.24509	7.6
318.24918	0.5
343.22253	0.5
361.23477	100.0
362.23782	6.1
362.32599	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	361.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03932	1.4
54.44639	0.5
55.05514	1.2
57.03428	9.8
57.07090	1.2
58.02126	0.5
67.05492	1.6
69.03452	0.5
69.07059	2.1
69.51836	2.1
70.06591	5.1
73.06543	2.3
73.32143	0.6
77.03934	1.6
78.15032	0.5
79.05486	20.4
80.05821	0.5
81.07059	4.4
83.04972	1.4
83.08633	0.5
86.09740	0.9
88.07620	1.7
91.05470	2.3
93.07031	5.9
95.04961	7.3
95.08609	3.1
97.06526	6.1
102.09146	1.0
105.04507	2.0
105.07019	10.8
107.04940	23.7
107.08584	4.1
108.05280	0.6
109.06507	1.6
109.10149	1.4
111.08055	0.5
117.07027	0.7
119.08559	7.4
121.10133	100.0
122.10480	2.1
123.08060	5.9
123.11696	2.4
125.05965	3.6
129.06969	0.8
131.08539	3.1
132.10184	1.7
133.07578	1.3
133.10115	8.7
135.11653	1.8
137.09572	1.3
137.13216	0.8
141.09109	0.6
142.07806	0.6
142.52518	0.5
143.08554	1.2
145.10112	2.7
146.11801	1.4
147.11691	1.9
149.09618	1.0
151.11163	1.1
155.08539	1.0
157.10100	2.4
159.11682	2.4
161.09636	0.7
161.13235	1.5
163.11197	0.9
165.12758	0.8
169.10127	2.5
170.10803	0.5
171.11694	2.2
173.13286	0.9
175.11136	0.5
175.14799	19.0
176.15108	0.7
177.16393	0.9
181.10039	1.1
183.11685	1.8
185.13229	1.8
187.14777	1.0
189.12834	0.6
193.15868	26.4
194.10881	0.7
194.16220	0.9
197.13206	1.1
199.14825	1.1
201.16373	1.6
201.84114	0.5
203.14267	1.4
211.14830	3.6
212.15054	0.5
213.12624	0.6
213.14513	0.6
221.15370	1.3
223.14781	1.4
225.16409	0.7
227.14441	0.5
229.15872	2.6
241.15863	0.6
255.21159	0.9
256.26373	3.0
265.19571	2.2
283.20596	3.6
300.28918	5.7
301.21576	6.5
362.32599	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	361.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05512	3.8
56.35078	1.2
56.88058	1.0
57.03176	1.9
57.03434	18.8
57.07072	2.8
62.23321	1.0
65.03883	1.0
67.05492	6.1
68.36012	1.0
69.03418	1.8
69.07066	7.6
69.50257	5.3
70.06588	1.8
71.04983	1.2
73.06542	2.5
77.03934	1.8
79.05486	19.8
81.03418	2.1
81.07054	11.8
83.04962	3.6
83.08605	2.6
91.05471	9.0
93.07038	9.8
95.04962	8.2
95.08599	11.9
97.06519	18.0
105.04511	1.8
105.07012	18.1
107.04944	16.0
107.08585	13.0
109.06503	5.2
109.10174	5.0
111.69628	1.1
117.06993	2.7
119.08560	13.4
121.06538	2.6
121.10135	100.0
122.10454	2.7
123.08060	14.5
123.11687	4.4
125.05952	6.7
128.06201	2.2
129.06975	2.6
131.08578	7.2
133.07564	1.3
133.10117	13.1
135.08040	1.7
135.11659	2.5
137.09587	1.3
141.06941	1.4
142.07779	2.4
143.08524	7.7
145.10129	11.0
147.08049	1.6
147.11667	5.9
149.09642	3.2
149.13239	1.7
151.11172	6.5
155.08559	3.1
156.09258	1.8
157.10141	8.6
159.11679	10.9
161.09645	2.6
161.13283	4.2
163.11092	1.3
165.12730	1.7
167.08549	2.1
167.10667	1.5
169.10133	8.6
170.10837	1.8
171.11655	6.7
173.09697	2.3
173.13261	4.1
173.60536	1.2
175.11263	2.4
175.14799	21.2
177.12802	2.0
177.16385	1.3
181.10132	2.7
182.10849	1.6
183.11697	4.8
185.13277	4.5
186.13887	1.1
187.11209	2.9
187.14874	3.5
189.12749	1.8
193.15845	25.0
195.11757	2.4
196.12463	1.8
197.13237	1.9
199.11165	1.9
199.14792	5.8
201.16370	6.9
203.14336	2.9
205.15834	2.6
209.13225	2.0
211.14807	16.3
213.16277	1.7
215.14183	1.5
217.15944	2.0
221.13321	1.6
221.15381	2.7
223.14775	3.1
225.16428	1.9
227.14413	1.7
227.17987	3.3
229.15840	14.1
236.15605	1.5
237.16479	1.4
241.15886	3.0
245.18985	1.3
255.21140	3.0
256.26190	1.5
265.19455	3.2
283.20569	10.9
300.28891	2.9
301.21582	18.7
319.22665	4.0
361.23508	5.4
362.32632	5.6
369.60583	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.32500	2.2
55.01872	18.0
57.03439	5.4
61.02912	13.2
69.03427	22.9
69.20694	2.4
71.01344	7.2
71.04988	7.2
73.02914	4.6
74.28413	2.0
74.36671	2.3
79.05492	5.6
81.03410	11.9
81.07059	17.8
83.01339	70.4
83.04977	23.4
83.48893	2.1
85.02901	82.5
87.04439	3.1
88.12157	2.4
91.03963	5.2
91.05500	11.0
93.07032	7.1
95.04952	18.5
97.02889	32.3
99.04456	7.5
101.02367	7.0
107.04948	2.3
109.02864	8.2
109.06518	42.6
113.06005	11.6
119.04922	9.0
121.06557	3.0
123.04427	4.3
127.03909	15.7
137.05972	97.6
138.06367	2.7
139.03891	10.6
141.06213	2.3
142.62671	2.2
145.04938	16.5
147.04439	5.6
154.46960	2.2
165.05470	100.0
180.08694	3.8
183.06529	24.2
344.35562	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	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.05506	5.4
56.05015	2.0
57.03434	3.0
57.26854	2.6
58.93943	2.2
60.42508	2.2
67.05159	3.3
67.05496	38.5
69.03419	9.7
69.07069	4.4
69.24796	4.2
69.25200	9.6
70.06584	10.4
71.04976	3.7
71.42991	2.0
73.35126	1.9
79.05486	7.3
81.03422	4.7
81.07054	26.4
82.07375	6.1
85.02906	17.2
86.09676	3.0
91.05454	11.2
93.07050	14.7
95.04965	7.2
95.08603	10.5
97.02892	4.6
98.23445	4.8
105.07034	4.9
107.04987	2.2
107.08590	22.2
109.06509	8.4
109.10147	100.0
119.08581	21.6
120.08078	4.6
121.10119	9.8
123.08086	3.0
123.11697	5.7
124.12025	4.5
135.07866	2.6
137.09608	53.1
145.04823	2.5
147.08051	21.8
153.61156	2.5
165.09113	38.3
181.04999	5.7
183.10153	78.9
184.10522	3.2
305.50116	2.3
373.11343	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	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48331	4.3
57.53580	3.6
59.13734	3.9
67.05501	38.7
69.03405	5.3
69.74657	4.3
69.75005	16.8
70.06583	13.9
71.04990	5.6
72.08123	4.5
79.05489	9.6
81.03394	5.4
81.07055	26.8
82.07382	6.2
85.02908	15.9
86.09705	13.6
89.94309	4.3
91.05457	14.4
93.07045	24.8
95.04964	10.3
95.08610	12.6
97.02900	6.0
107.08569	23.6
109.06523	7.5
109.10153	100.0
117.07012	4.6
119.08577	18.0
121.10135	10.9
123.11700	4.8
137.09610	54.9
147.08012	25.1
165.09097	47.5
172.09711	5.3
173.48552	4.5
181.04866	4.4
183.10164	82.9
184.10414	5.6
215.13832	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	362.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05505	1.1
56.05021	0.5
56.34745	0.5
57.07070	3.6
57.08118	0.4
58.50714	0.4
67.05499	2.1
69.07061	1.9
69.21493	3.1
70.06592	52.2
71.04995	5.1
71.06915	0.7
71.08617	0.7
72.08150	1.0
74.09715	8.2
79.05494	6.9
81.07056	53.2
82.07380	1.1
83.08607	0.5
86.06076	0.7
91.05479	1.8
93.07032	2.2
95.04977	1.5
95.08598	3.1
98.06065	0.9
98.09712	0.5
103.87355	0.5
105.07030	1.5
107.08575	1.6
109.06532	2.4
109.10146	1.2
110.09675	0.8
119.08554	1.1
120.08084	2.1
121.08837	0.7
121.10152	0.6
122.09659	0.6
131.08569	1.0
133.10120	0.9
145.10069	0.8
147.11717	0.6
148.11148	1.1
149.13315	0.5
150.12778	100.0
151.13109	3.6
152.14346	1.7
165.12749	6.6
168.13866	0.9
173.13159	0.6
180.13829	2.1
186.70155	0.5
191.14233	0.6
192.30820	0.4
196.13327	1.9
199.13319	0.8
201.12682	0.6
202.10472	0.4
212.12784	1.8
248.20103	4.7
264.23260	1.8
289.21515	0.8
290.55011	0.4
324.64096	0.4
362.26855	50.3
362.30151	2.8
363.19031	0.7
363.27167	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	363.1282
Annotation	Procumboside
Peak:m/z	Relative Intensity
53.03933	4.1
55.01862	4.9
65.03939	4.8
67.05508	7.4
69.03423	14.8
69.37788	14.4
79.05492	24.1
81.03415	8.9
81.07053	56.0
84.86120	3.3
85.02908	17.0
88.48492	2.7
91.05466	31.3
93.07049	5.2
95.04963	84.9
96.05315	4.3
97.02905	6.9
109.02844	6.3
109.06516	95.5
111.04459	8.9
119.04926	14.4
121.06512	6.3
123.04449	6.0
131.42859	3.2
137.05977	100.0
138.06308	4.3
139.03876	5.8
147.04393	30.2
165.05466	57.3
168.43347	3.3
183.06523	60.2
191.28891	3.6
191.99132	3.3
199.63737	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	363.1801
Annotation	Germanin A
Peak:m/z	Relative Intensity
53.03945	1.3
55.01870	11.7
55.05510	5.9
57.03438	18.1
57.07063	2.1
59.04989	1.7
65.03943	1.1
67.05502	5.5
67.55681	0.9
69.03420	7.8
69.07056	7.3
70.67425	1.5
71.01325	0.9
71.04974	3.1
79.05483	8.0
81.03426	3.9
81.07049	10.4
83.04980	7.3
83.08627	1.3
85.02914	6.1
85.06528	1.2
91.05462	10.9
93.07043	10.9
95.04963	9.0
95.08606	5.3
97.02876	2.9
97.06529	8.3
99.04454	8.6
101.02378	1.2
101.05970	1.0
105.04573	0.8
105.07030	16.2
107.04936	2.7
107.08592	15.3
109.02888	4.4
109.06521	12.9
109.10147	3.9
111.04434	4.3
111.08099	2.0
113.02347	2.8
113.05963	1.1
115.03916	0.9
115.05428	1.6
117.07011	5.8
119.04948	1.8
119.05982	1.0
119.08582	15.4
121.06499	8.9
121.10148	13.8
123.04443	2.2
123.08073	5.1
123.11701	2.5
125.06005	4.8
125.09624	7.5
127.03876	2.2
128.06184	1.9
129.06992	6.6
131.08562	15.6
132.08804	0.9
133.06480	2.8
133.10124	12.1
135.08043	11.3
135.11717	4.1
137.02328	1.0
137.05972	7.0
137.09608	2.9
139.03880	2.1
139.07547	0.8
141.06979	2.1
142.07764	6.9
143.08554	11.2
144.09317	1.6
145.04947	1.5
145.06470	2.2
145.10120	12.9
146.07216	0.8
147.08051	7.0
147.11685	9.4
149.05963	5.3
149.09615	8.5
149.13249	5.4
151.07527	6.3
151.11165	7.5
153.05463	3.8
153.06845	1.0
153.09094	3.0
154.07750	2.0
155.03384	1.8
155.07372	1.3
155.08522	6.7
156.09341	6.7
157.06508	1.3
157.10115	18.2
158.07246	1.5
158.10844	3.6
159.08057	7.4
159.11685	11.5
161.05937	1.1
161.09622	12.7
161.13264	2.6
163.07498	2.1
163.11200	2.3
163.14716	2.4
165.05473	7.6
165.06970	2.3
165.09122	2.3
167.07100	1.2
167.08522	2.0
168.09355	1.9
169.10083	7.5
170.10904	7.1
171.06628	1.8
171.08081	3.0
171.11668	13.9
172.08826	2.2
172.12415	2.0
173.04410	1.8
173.05884	0.9
173.09612	29.4
173.13243	17.4
174.10185	1.2
175.07515	2.0
175.11166	9.5
175.14682	1.1
177.05574	1.2
177.09065	1.5
179.07031	6.3
179.08490	1.5
179.10669	3.3
181.10040	3.9
182.10936	2.9
183.06497	4.7
183.08101	2.4
183.11687	9.0
184.08809	1.1
184.12358	1.7
185.09645	5.6
185.13246	27.6
186.10419	1.1
186.13948	2.7
187.07634	1.1
187.11191	10.7
187.14804	5.3
189.09108	4.0
189.12741	11.9
190.13367	0.9
191.06976	1.9
191.10692	2.2
191.14307	13.7
192.09369	1.3
193.08580	2.3
193.10124	2.0
193.12178	1.2
193.15889	1.1
195.08028	1.8
195.11678	2.9
196.08846	1.7
196.12558	1.1
197.08078	15.0
197.09634	2.9
197.13237	7.5
198.10400	1.4
199.07491	0.9
199.11200	3.9
199.14828	9.0
200.11786	0.9
200.15561	2.6
201.09117	8.0
201.12750	6.5
201.16501	1.8
202.09773	1.1
203.10638	3.0
203.14351	5.0
205.12218	1.2
206.10887	1.4
207.11671	3.6
209.13274	1.4
210.10370	1.6
211.06009	1.5
211.11205	6.3
211.14819	5.3
212.11890	0.8
213.09155	2.2
213.12714	7.8
213.16174	0.8
215.10672	14.8
215.14227	9.0
217.08658	1.8
217.12164	4.3
217.15752	1.5
218.13029	1.8
219.06580	1.8
219.10127	1.1
219.13699	4.2
220.12502	0.9
221.13330	4.1
223.11125	1.0
223.14801	1.5
224.11894	1.4
225.09125	1.8
225.12769	7.8
225.16330	1.3
227.10645	2.2
227.14265	5.9
229.08699	1.5
229.12201	5.7
229.15807	4.1
231.10165	3.6
231.13759	7.3
233.11694	1.3
233.15379	2.7
234.10510	1.0
235.14780	2.6
237.07434	1.1
237.16328	1.1
239.08942	4.2
239.14264	10.0
241.12154	1.7
243.10181	9.2
243.13797	6.3
245.15361	44.7
246.15794	2.3
247.13272	2.0
247.16896	2.7
253.12233	2.1
253.15863	3.5
255.13791	2.5
257.11786	2.8
257.15323	7.1
259.13214	1.5
261.11206	20.2
261.14401	1.5
263.14337	1.8
267.13815	7.5
268.13806	0.9
269.11795	1.5
271.13290	4.6
271.16913	2.3
273.14935	1.2
275.12762	1.5
275.16360	1.1
279.12311	1.5
281.15295	8.5
283.13242	1.2
283.16861	1.2
285.11215	7.2
285.14825	11.0
289.14349	3.6
299.16354	7.7
301.14691	1.4
301.17953	2.0
303.12247	6.0
303.15921	6.1
307.15359	3.9
309.14767	4.8
317.14319	0.9
317.17487	5.6
327.15906	13.0
328.16107	1.1
345.16953	21.1
346.17075	1.8
363.17984	100.0
364.18323	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	363.18
Annotation	Humirianthol
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	8.4
55.05501	5.2
57.03430	18.6
65.03947	2.5
67.05475	6.5
69.03404	4.2
69.07042	7.4
69.47395	6.8
71.01353	3.0
71.04967	4.6
79.04638	1.2
79.05488	10.0
81.03402	2.6
81.07049	13.1
82.44086	1.4
83.04963	7.3
91.05473	9.9
93.03390	3.5
93.07049	9.7
95.04960	7.6
95.08601	6.7
97.06508	8.3
99.04443	16.7
99.08065	1.6
105.04493	1.3
105.07014	13.5
107.04913	2.1
107.08584	13.1
109.02850	4.3
109.06520	11.0
109.10136	6.3
111.04431	6.8
111.08099	2.7
115.05444	2.6
117.07008	6.5
119.04935	2.0
119.08566	15.1
121.06493	6.9
121.10152	11.0
123.04436	2.6
123.08052	6.6
123.11697	3.5
125.05975	7.4
125.09605	5.2
127.03902	6.2
128.06204	2.8
129.06984	6.6
131.08554	10.8
133.06458	3.5
133.10112	13.1
135.08049	12.0
135.11674	4.9
137.05962	14.0
137.09612	5.1
139.07558	2.4
141.06944	3.4
142.07785	6.8
143.06996	2.1
143.08534	11.6
145.06433	4.1
145.10112	12.3
147.08040	8.7
147.11678	8.9
149.05925	4.4
149.09593	6.6
149.13324	2.9
150.12695	1.5
151.07542	10.4
151.11137	8.6
153.06877	1.5
153.09052	2.1
155.08542	5.9
156.09335	5.6
157.10091	15.5
158.10855	2.6
159.08026	7.3
159.11685	10.9
161.09576	10.9
161.13156	1.9
163.07564	3.3
163.11163	3.7
163.14847	2.4
165.05478	4.9
165.06946	3.2
165.09088	1.7
167.08504	3.5
168.09309	2.1
169.10109	5.7
170.10892	4.2
171.06638	1.8
171.08023	4.3
171.11670	17.7
172.08725	2.1
172.12430	1.9
173.09612	24.2
173.13184	11.6
174.10280	1.6
175.07535	2.5
175.11179	13.1
177.09113	1.5
177.12810	1.7
179.08565	3.2
179.10689	4.6
180.09250	1.8
181.10072	4.2
182.10864	2.1
183.06508	6.2
183.07979	2.1
183.11693	7.6
184.08878	1.7
185.09608	3.7
185.13220	18.6
186.10352	2.0
186.13972	4.6
187.07492	2.7
187.11137	9.1
187.14833	6.2
189.05391	1.9
189.09096	5.1
189.12735	9.5
191.06932	2.4
191.10667	3.8
191.14290	9.6
192.09427	1.6
193.04848	1.9
193.08559	2.3
193.10164	3.3
193.11963	1.7
194.10890	2.3
195.11649	7.5
196.12457	2.0
197.08063	12.2
197.09631	3.6
197.13232	5.5
199.07530	4.1
199.11047	7.0
199.14787	6.2
201.09001	3.4
201.12750	6.3
203.10640	2.9
205.10234	1.7
206.10854	2.8
207.11674	3.5
208.12462	2.8
209.09653	3.1
209.13211	4.8
211.11156	3.8
211.14842	5.6
213.09120	1.9
213.12747	11.8
215.10634	30.4
215.14294	3.9
217.08621	10.0
217.12234	5.4
218.12993	3.4
219.13759	6.7
221.13271	3.7
223.11237	2.7
223.14755	5.2
225.12733	4.3
227.10707	3.1
227.14288	10.1
229.08791	1.8
229.12155	5.6
229.15828	4.8
231.10152	1.8
231.13806	14.6
233.11761	3.2
235.14934	2.7
237.02119	1.5
237.12737	1.8
239.09030	3.9
239.14296	6.5
241.12245	3.5
243.10175	6.3
243.13876	9.4
243.30731	1.6
245.11646	2.2
245.15295	10.3
247.16942	3.6
253.12228	3.5
253.15813	3.0
255.13800	5.6
257.11630	11.1
257.15329	5.9
259.09650	2.5
259.13333	2.0
261.11160	10.1
261.14877	3.9
263.14478	2.6
265.15915	1.6
267.13757	15.0
271.13300	5.2
271.16919	4.7
273.14795	8.5
275.12894	1.9
275.16290	2.2
277.10583	2.0
281.15344	11.0
285.14783	8.5
289.14301	2.7
299.16312	18.0
301.14343	6.1
303.12534	2.9
303.15820	7.5
307.15320	5.7
309.14789	10.6
317.17468	19.4
318.17758	1.5
319.15369	6.6
327.15933	19.3
335.18442	1.7
345.16931	32.2
363.17960	100.0
364.18329	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	363.1801
Annotation	Epinodosin
Peak:m/z	Relative Intensity
53.03933	4.0
55.01863	7.4
55.05513	8.6
57.03433	48.8
57.07062	1.6
59.04995	3.3
63.15662	1.8
65.03936	9.9
67.05499	15.0
69.03428	13.9
69.07067	4.6
69.50259	7.9
71.01355	2.7
71.04982	4.4
77.03904	2.1
79.05482	10.5
81.03411	7.7
81.07049	15.1
83.04974	9.3
83.08595	2.3
85.02879	2.3
85.06535	2.3
87.89020	1.7
90.06934	1.6
91.05463	17.3
93.03387	13.5
93.07043	15.6
95.04943	9.0
95.08607	14.2
95.44741	1.8
97.06516	10.7
99.04446	16.7
105.07021	23.1
107.04935	3.9
107.08584	13.2
109.02907	8.9
109.06515	16.0
109.10139	10.9
111.04427	17.6
111.08068	3.6
115.05524	2.6
117.07037	7.7
119.04926	3.8
119.08579	25.0
121.06505	11.0
121.10125	12.9
123.04411	2.9
123.08067	16.1
123.11671	3.5
125.05984	14.2
125.09612	4.9
127.03912	7.8
128.06213	5.3
129.07005	7.2
131.08571	17.1
131.86079	1.8
133.06467	4.6
133.10123	26.2
135.08037	12.3
135.11697	4.0
137.02356	5.1
137.05936	8.3
137.09587	19.3
139.07530	4.3
139.11191	8.8
141.06932	3.9
142.07779	6.3
143.07080	4.2
143.08562	18.7
143.20718	1.7
145.06470	3.7
145.10107	13.7
147.08040	8.6
147.11664	10.2
149.09601	10.5
151.07544	7.1
151.11136	15.4
155.08542	10.4
156.09346	6.0
157.06482	2.1
157.10104	19.1
158.10864	1.8
159.08040	11.3
159.11676	10.0
161.05977	2.3
161.09608	100.0
161.13251	5.3
162.10031	3.3
163.07527	4.4
163.11179	6.6
165.05556	2.3
165.06978	3.1
165.09135	4.3
165.12738	5.6
167.08510	3.6
169.06528	1.8
169.10159	8.7
170.10773	4.5
171.06514	6.5
171.08038	5.6
171.11679	21.9
172.08855	2.8
172.12416	3.3
173.09593	18.6
173.13306	8.5
174.10478	2.1
175.07507	2.5
175.11137	14.4
176.11916	4.3
177.09053	4.4
177.12773	7.5
179.08551	4.4
179.10658	18.8
179.14268	3.8
181.10149	5.1
182.10881	4.3
183.06500	2.7
183.08028	2.5
183.11685	10.8
185.09659	5.2
185.13158	12.3
186.10327	2.4
187.07573	3.5
187.11147	11.6
187.14769	3.8
188.11940	1.9
189.09116	5.7
189.12694	15.7
191.07030	1.9
191.10680	4.8
191.14328	8.0
193.10226	4.3
193.12201	6.3
194.11014	2.7
195.08047	2.3
195.11655	6.9
196.08887	2.4
197.08092	5.0
197.09616	5.4
197.13216	8.2
198.10428	3.2
199.11180	10.8
199.14822	3.6
200.11934	2.5
201.09140	4.0
201.12744	7.1
201.16281	1.8
203.10670	5.6
203.14247	4.9
205.12273	3.1
207.11903	3.6
207.13820	18.5
208.12440	2.2
209.09686	3.4
209.13252	4.6
211.11121	7.6
213.09172	2.8
213.12741	17.2
214.13345	2.3
215.10628	16.5
215.14293	7.2
217.08635	6.1
217.12195	10.8
218.12886	2.3
219.10074	1.9
219.13817	17.2
219.17413	1.8
221.13232	3.0
222.14163	1.8
223.11105	3.7
223.14909	2.8
225.12759	8.8
225.14735	2.4
227.10622	4.0
227.14317	7.3
229.08473	2.3
229.12274	7.7
229.15848	3.6
231.13779	14.6
233.11649	2.9
235.11206	3.7
235.12978	8.1
236.13760	2.3
239.10690	2.4
239.14299	6.7
241.12210	6.6
243.10129	5.4
243.13817	11.1
245.15413	6.8
247.16911	3.3
253.12180	8.6
253.14336	4.6
255.13785	6.8
257.11664	7.6
257.15356	8.1
259.13382	4.2
261.11179	7.5
261.14847	4.1
267.13760	5.7
271.13287	13.9
271.16837	7.3
273.14865	5.0
275.16391	4.5
281.15332	10.8
283.16904	2.6
285.14874	6.8
289.14343	4.6
289.17923	5.1
299.16391	15.3
301.14398	2.5
301.17947	3.2
303.12659	1.8
303.15842	5.0
307.15414	4.1
309.14792	7.9
317.17551	21.3
319.15356	4.2
321.16876	3.6
327.15778	18.4
335.18509	3.5
345.16953	56.6
346.17270	2.6
346.39917	1.8
363.17978	94.3
364.18390	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	363.18
Annotation	Humirianthol
Peak:m/z	Relative Intensity
53.03937	4.2
55.01865	10.9
55.05511	6.8
57.03180	1.5
57.03438	18.9
57.07070	2.5
59.05003	1.4
61.91310	1.0
62.67354	1.0
65.03925	2.8
67.05502	8.6
69.03426	11.5
69.07060	13.8
70.67607	1.4
71.01351	2.0
71.04979	6.9
79.05484	13.1
81.03421	8.0
81.07050	16.3
83.04972	9.3
83.08607	1.7
85.02874	2.1
85.78747	1.1
90.91045	1.0
91.05473	14.2
93.03401	3.0
93.07037	15.5
95.04959	6.4
95.08607	14.6
97.06520	23.1
99.04450	27.8
101.02359	1.2
103.05439	2.0
105.07026	20.3
107.04945	3.8
107.08585	19.3
109.02859	6.7
109.06515	14.6
109.10137	6.1
111.04438	6.8
111.08092	2.6
115.05411	2.1
117.06979	6.9
119.04920	3.0
119.08569	15.3
121.06505	10.6
121.10140	14.5
123.04398	3.0
123.08050	13.2
123.11682	5.0
125.05970	13.8
125.09627	9.0
127.03911	12.7
128.06200	4.1
129.05481	1.8
129.06953	4.2
130.07755	2.3
131.08568	14.9
133.06480	4.4
133.10120	12.5
135.08058	13.2
135.11682	4.5
137.02289	2.6
137.05957	13.4
137.09618	3.8
139.07524	2.0
141.06956	3.0
142.07764	5.3
143.07002	2.3
143.08533	16.4
143.98383	1.0
144.89256	1.1
145.06461	3.7
145.10089	15.5
147.08029	7.3
147.11653	6.7
149.05971	4.5
149.09615	10.6
149.13243	3.8
151.07532	31.4
151.11139	7.4
153.05423	4.1
153.06909	2.5
153.09117	3.6
154.07825	1.8
155.03354	2.1
155.07213	2.0
155.08531	10.2
156.09329	5.0
157.06506	1.9
157.10121	16.7
158.07230	1.8
158.10899	3.9
159.08051	6.8
159.11708	8.8
161.09601	17.0
161.13191	3.0
163.07533	3.4
163.11171	3.4
163.14798	2.7
165.05450	3.0
165.06870	2.1
165.09103	3.2
166.07657	1.5
167.08540	5.0
167.10693	1.3
168.09305	3.0
169.08731	2.1
169.10130	9.1
170.10864	6.6
171.06534	3.7
171.08046	6.3
171.11679	18.3
172.08829	2.5
172.12334	1.4
173.09605	23.8
173.13252	16.7
175.07541	3.4
175.11195	15.6
176.12018	1.5
177.09103	2.6
178.07849	1.3
179.07062	1.5
179.08508	3.4
179.10625	6.3
180.09369	2.8
181.10104	6.8
182.07277	1.7
182.10889	3.4
183.06497	3.0
183.08061	3.7
183.11644	8.8
184.12389	1.5
185.09593	5.7
185.13242	24.0
186.10350	1.5
186.13980	6.0
187.07603	2.1
187.11159	11.3
187.14812	3.2
188.08209	1.0
189.09047	9.9
189.12758	14.1
190.13385	1.7
191.07045	3.0
191.08763	1.3
191.10677	3.1
191.14297	19.7
193.04887	2.3
193.08603	6.9
193.10158	3.6
193.12219	1.5
194.10896	3.8
195.08072	1.7
195.11681	9.1
196.08890	1.6
196.12439	1.9
197.08066	42.1
197.09625	4.2
197.13176	5.2
198.08557	1.5
198.10352	2.7
199.07533	4.3
199.11157	7.4
199.14795	10.7
200.15486	2.9
201.09126	4.4
201.12634	6.2
203.07089	1.3
203.10684	4.4
203.14320	3.8
205.08524	1.3
205.12029	1.4
206.10953	2.4
207.11745	2.3
207.13632	1.1
208.12491	1.7
209.09654	2.6
209.13251	4.1
210.10568	1.3
211.07762	1.3
211.09457	2.2
211.11182	4.7
211.14812	4.4
213.09071	3.7
213.12724	15.2
215.07277	1.8
215.10635	25.8
215.14235	3.6
217.08548	7.5
217.12100	5.8
218.12971	3.0
219.13783	4.7
221.09729	1.2
221.13216	3.2
223.11122	2.7
223.14754	3.4
224.11917	2.3
225.09119	2.3
225.12764	4.3
227.10799	2.1
227.14320	13.3
228.14822	1.8
229.08571	1.8
229.12144	5.3
229.15813	3.6
231.10152	3.1
231.13786	12.5
233.11729	2.3
233.15187	1.5
237.12852	2.4
237.16336	2.4
239.08807	5.7
239.14304	8.5
241.12274	5.7
243.10130	6.8
243.13760	6.2
245.15349	17.9
247.16888	2.0
249.12814	1.2
253.12149	1.6
253.15808	2.5
255.13777	7.0
257.11697	14.4
257.15445	6.1
259.09650	4.9
259.13315	2.6
261.11209	9.9
261.14713	2.4
263.14365	3.1
267.13745	6.6
269.11758	1.4
271.13293	3.5
271.16898	3.8
273.14780	6.5
275.12778	4.0
277.10733	1.6
281.15326	9.6
283.13403	1.8
283.16809	1.7
285.11234	3.1
285.14636	2.3
289.14328	2.5
299.16409	19.3
301.14355	5.5
303.12231	5.0
303.15933	5.1
305.13705	1.4
307.15408	4.6
309.14777	8.3
317.17462	19.4
319.15356	5.1
327.15936	13.6
345.16931	32.1
346.17377	1.3
362.26761	1.7
363.17966	100.0
364.18341	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	363.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
67.05495	0.2
69.25333	0.7
69.25745	0.3
70.06599	0.2
79.05480	0.3
81.07043	0.4
81.13540	0.1
83.04921	0.2
88.86086	0.2
91.05470	1.2
95.08595	0.2
97.06538	0.2
105.06999	0.3
107.07389	0.2
107.08577	0.2
112.40236	0.2
115.05424	1.3
116.33002	0.1
117.05749	0.4
117.07014	1.9
118.06528	31.3
119.06796	0.3
119.08549	0.3
121.10174	0.2
130.06523	0.4
131.08508	0.3
132.08072	2.7
133.08853	1.4
133.10049	0.3
134.09634	0.5
140.10693	0.5
141.11023	0.3
142.06509	2.0
143.07320	2.1
143.08380	0.3
144.04453	0.6
144.08070	10.7
145.06503	0.4
145.08403	0.3
145.10175	0.3
146.05991	46.0
146.09630	2.6
147.06357	1.2
147.10406	0.3
148.11195	0.2
155.05952	0.5
157.10185	0.2
159.11691	0.2
160.07553	0.6
160.11240	0.2
161.11983	0.2
170.05995	3.7
173.13254	0.4
175.11333	0.2
176.14325	100.0
177.14667	3.8
188.07045	29.6
189.07355	1.1
189.12907	0.2
191.14252	0.2
202.15848	0.2
203.12473	0.2
204.10321	0.2
216.13887	0.8
234.14870	2.0
259.40598	0.2
289.14114	0.2
317.26733	0.4
363.20703	17.8
363.27386	0.7
364.14441	0.2
364.20847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03940	4.8
55.01867	6.2
55.05510	4.5
57.03434	29.1
57.07066	3.5
59.02008	1.0
59.05014	1.3
65.03938	4.1
66.01839	1.0
67.05163	1.9
67.05504	32.0
69.03416	2.3
69.07063	6.0
69.25981	6.0
71.04977	4.8
71.08620	1.3
73.06535	1.4
79.05479	4.7
81.03413	100.0
81.07045	8.7
83.04974	4.4
83.08604	3.3
85.06533	1.9
87.04470	2.2
88.07628	3.0
91.05468	7.9
93.07035	8.8
95.04965	86.8
95.08592	7.5
96.05292	1.7
96.44916	1.2
97.06515	4.6
98.22723	2.2
99.04455	2.5
105.07029	9.8
107.04958	3.6
107.08595	14.4
109.06520	10.0
109.10147	18.9
111.08096	2.7
115.03939	3.2
115.05486	1.2
115.07516	2.0
117.07001	3.8
119.04922	2.2
119.08584	8.9
121.06504	4.8
121.10138	6.8
123.04428	8.7
123.08070	4.5
123.11736	6.9
125.05917	1.1
125.09629	16.6
127.07529	1.9
128.06189	1.1
129.06999	3.4
131.04890	3.7
131.08536	6.0
133.06493	3.9
133.10101	10.4
135.08051	7.1
135.11699	5.3
137.05948	1.8
137.09619	6.3
139.07491	1.4
141.05447	2.8
141.06958	1.0
143.08578	6.2
145.06464	12.3
145.10107	3.8
147.08032	13.0
147.11684	4.7
149.09621	5.4
149.13235	3.8
151.07538	3.6
151.11171	12.9
153.12735	2.6
155.08528	1.8
157.10176	3.6
159.08066	5.0
159.11678	2.5
161.09610	8.9
161.13260	1.3
163.07570	2.5
163.11208	3.2
163.14830	3.3
165.09048	1.5
167.10591	2.5
169.10068	1.8
171.08029	2.9
173.09590	5.8
173.13258	3.2
175.11165	8.3
177.09087	3.1
177.12715	4.2
179.06985	1.4
179.10696	4.5
181.12239	1.6
183.08038	1.3
183.13799	3.5
185.09648	2.3
185.13281	1.7
187.07545	4.3
187.11214	3.6
189.09096	9.6
189.12639	1.7
191.10728	1.3
191.14276	5.4
193.08597	2.9
193.12271	2.4
197.09639	2.4
197.13255	2.2
199.11159	3.0
201.09137	2.2
201.12724	2.1
203.10666	1.7
205.08553	3.3
205.12201	2.3
207.10156	3.3
207.13837	2.3
209.15327	4.1
211.11159	3.3
211.13152	2.0
213.12698	2.8
215.10641	5.3
215.14401	3.1
217.12265	1.7
219.10091	2.1
219.13676	1.1
221.11659	9.4
225.12759	1.9
227.14224	1.6
229.12242	4.2
229.15828	2.5
231.13719	2.5
232.83591	1.1
233.11674	2.2
235.13142	1.2
241.18057	1.1
243.10172	1.3
243.13806	2.6
245.11818	2.0
245.15486	1.4
251.16313	6.8
253.15828	1.3
257.15405	8.1
263.16211	1.3
271.13287	2.9
271.16821	2.3
273.14914	1.8
275.16412	3.9
285.18481	3.2
289.14725	1.1
289.18188	1.1
289.21640	4.1
295.16455	1.9
295.19360	2.3
303.15887	9.6
313.17963	4.5
331.18930	4.6
345.20648	10.1
362.32623	2.0
363.21259	16.6
363.25705	1.5
363.32925	4.2
363.96973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04861	0.4
51.02364	0.5
53.03944	1.1
55.01872	0.8
55.05508	7.4
56.30839	0.4
57.03432	0.8
57.07074	3.5
59.04993	4.2
65.03929	0.9
67.05158	0.9
67.05503	13.6
67.22884	0.4
68.05828	0.5
69.03421	7.9
69.06763	0.6
69.07069	6.5
69.22178	1.1
69.22565	1.2
71.04968	1.9
77.03944	0.6
79.05043	0.8
79.05489	10.4
81.03438	0.5
81.07054	45.0
82.07388	0.7
83.04979	3.4
83.08619	2.8
85.06535	9.1
91.05467	7.9
93.07039	22.9
94.07368	0.5
95.04961	6.3
95.08602	28.6
97.06525	5.0
97.10110	0.5
98.23454	0.8
99.04413	0.5
99.08083	1.3
100.27652	0.4
101.06011	1.5
103.05435	0.5
104.59533	0.5
105.04512	0.6
105.07027	19.8
105.07745	1.1
106.07365	0.6
107.08588	30.6
108.08905	1.0
109.06510	11.8
109.10152	26.4
110.10500	0.9
111.08071	3.9
111.11671	0.6
117.07011	1.7
119.08575	35.0
120.08949	0.7
121.06503	0.7
121.10136	24.8
122.10453	0.7
123.08064	5.3
123.11706	12.4
125.05882	0.5
125.09618	3.3
127.07550	5.9
129.06993	0.8
130.07797	0.6
131.08545	3.6
133.10121	47.1
134.10454	1.4
135.08014	1.0
135.11684	36.6
136.12025	1.1
137.09604	11.8
137.13252	1.5
139.11176	2.0
142.07787	1.1
143.08548	1.6
144.09317	1.1
145.10117	8.2
147.11671	17.8
148.12000	0.7
149.09625	2.1
149.13287	4.7
150.10423	0.7
151.11169	30.0
151.14803	8.5
152.11462	1.1
153.12747	5.2
154.07652	0.5
155.08545	0.7
156.09352	0.9
157.10165	3.0
159.11671	10.5
161.09607	1.0
161.13235	10.1
162.13622	0.6
163.11214	2.2
163.14793	0.9
165.09085	1.3
165.12750	19.0
166.13069	0.8
169.10158	1.0
170.10918	1.3
171.11636	1.9
173.13234	4.5
175.11189	1.5
175.14809	20.7
176.15210	1.0
177.12758	2.2
177.16356	5.3
179.14287	2.7
183.11673	1.3
185.13193	3.2
187.14787	2.3
189.12697	1.6
189.16446	0.6
190.87526	0.5
191.14326	3.3
193.15872	100.0
194.16174	5.4
197.13214	1.2
199.14798	2.4
201.16452	0.9
203.14317	10.6
204.14946	0.7
205.15836	1.3
209.15314	0.6
211.13246	4.8
211.14944	1.4
213.16472	0.7
215.14285	0.9
217.15871	1.7
221.15352	40.6
222.15752	1.9
225.16301	0.9
227.17885	0.7
229.15868	0.6
241.19371	0.6
243.17448	1.0
243.21074	1.4
267.21112	3.9
268.21506	0.5
285.22104	11.6
286.22507	0.7
303.23181	14.4
304.23489	1.5
321.24170	0.5
343.55603	0.4
345.24225	1.4
363.25400	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	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.63339	1.2
54.82469	1.0
55.01842	1.4
55.05264	2.0
55.05510	28.8
55.05802	1.6
57.03143	1.4
57.03429	24.1
57.07066	12.8
57.65066	1.1
65.03925	3.7
65.49994	1.2
67.05500	100.0
68.05840	2.2
69.07064	27.5
70.07385	1.4
71.08623	7.9
79.05488	44.6
81.07050	90.7
81.72466	1.3
83.04975	1.7
83.08606	13.4
85.06522	1.8
85.10173	4.0
89.06023	19.7
89.72343	1.3
90.12968	1.2
91.05466	20.9
93.07037	51.4
94.07352	1.3
95.04984	6.0
95.08598	85.9
97.06486	1.9
97.10132	5.8
98.49428	1.1
105.04498	2.5
105.07021	13.1
106.21958	1.0
107.07089	2.2
107.08583	29.2
109.06510	3.0
109.10150	34.2
111.08080	1.6
111.11728	1.2
113.00011	12.3
117.07004	4.3
119.08557	12.3
121.10136	23.3
123.08062	2.1
123.11697	13.7
131.08548	7.5
133.08583	5.4
133.10126	9.2
135.11673	16.5
137.13231	3.4
145.10117	4.4
147.11694	6.6
148.67320	1.2
149.13226	10.0
159.11676	3.8
161.13251	4.7
163.14828	3.6
169.02579	10.7
172.87645	1.1
173.13252	5.7
175.14790	3.6
177.16391	2.2
179.14287	3.0
189.16284	2.0
194.47054	1.1
195.12207	3.0
202.07732	1.2
233.18698	1.3
236.41119	1.3
271.24301	2.7
277.70901	1.3
289.25247	9.3
305.24823	1.3
307.26169	2.1
327.26608	1.5
345.27820	6.3
363.28876	95.9
364.29166	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85142	17.5
68.93281	16.4
69.07091	18.3
73.15566	16.6
73.94302	19.4
78.98106	16.5
89.06040	35.3
120.66740	19.2
123.08059	94.5
164.39465	18.9
179.14268	30.3
184.03473	19.2
278.66629	19.0
337.35065	18.3
363.29144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.05513	3.3
57.07071	3.7
67.05215	0.6
67.05504	5.4
69.07066	6.0
70.08601	1.3
70.08934	0.8
71.04959	0.6
71.08632	3.4
79.05494	3.5
81.07053	9.2
83.08603	1.5
85.06526	2.6
91.05463	2.0
93.07039	4.3
95.08601	8.7
97.06513	1.2
99.08075	2.0
105.07019	2.7
107.08592	3.7
109.06508	18.5
109.10136	2.0
111.08038	1.1
119.08573	2.4
121.10136	2.4
122.07297	1.1
123.08060	35.0
123.11697	1.2
124.08392	0.8
133.10129	1.5
133.25432	0.6
133.49623	0.6
135.08054	3.3
135.11650	1.6
137.09590	1.8
138.21852	0.6
145.10136	1.2
147.11676	1.9
149.09631	0.8
149.13214	1.2
151.11205	1.1
151.14818	0.6
159.11664	0.9
161.13246	1.0
163.14767	0.6
165.12770	1.3
167.14301	2.0
175.10992	0.5
179.14294	85.2
180.14647	2.2
193.15842	2.6
205.35046	0.6
212.30838	0.6
215.85628	0.6
289.25308	0.9
307.22659	2.9
331.26270	4.8
345.28052	0.7
363.28903	100.0
364.29245	7.1
368.82303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.9
56.15998	2.0
58.99585	8.8
67.05531	2.2
70.06596	2.0
73.02901	2.5
79.05535	1.8
83.04964	3.5
86.00610	2.5
86.09691	6.9
86.99040	4.9
87.02677	3.5
88.02193	2.3
88.03997	2.7
91.05482	3.0
94.06519	2.7
95.06057	3.3
98.06042	6.7
98.22662	6.2
100.02204	1.6
105.00050	2.6
105.07037	7.7
110.07164	16.6
114.03740	5.6
115.02135	4.1
115.05451	7.5
117.06995	8.6
122.02741	3.5
129.06880	1.6
133.06493	6.6
134.82646	1.6
135.08047	5.8
138.03712	5.6
141.73447	1.9
145.06435	8.3
156.04779	6.7
159.08012	4.1
160.04247	6.8
161.05969	100.0
162.06331	2.0
173.05977	6.0
182.07214	2.4
184.04228	5.9
186.09001	1.8
187.11124	2.5
197.09615	5.5
201.09184	3.2
201.11180	2.5
202.05283	26.9
213.09070	6.1
215.10681	4.6
225.09105	15.7
243.10143	42.5
244.10443	3.2
251.15096	4.4
292.06335	4.6
328.09848	2.1
346.11050	11.5
346.22235	2.8
360.98575	1.8
364.11707	8.4
364.23404	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	364.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.9
57.43739	1.9
58.99582	14.0
61.35894	1.9
67.05476	2.2
67.77686	1.7
70.06583	10.4
71.04960	1.7
76.02235	2.1
77.72903	2.0
86.00649	3.1
86.99036	8.7
87.02711	3.9
88.03984	2.2
91.05483	2.8
94.06551	4.5
94.67272	1.8
95.04975	2.1
98.06053	9.0
104.48651	1.7
105.00076	6.4
105.07040	3.9
113.00564	2.3
114.03761	5.3
115.05453	6.1
117.07004	13.1
122.02738	2.8
128.05293	4.9
133.06473	4.8
138.03720	6.2
145.06573	4.0
156.04774	10.7
159.07993	2.8
160.04292	5.1
161.05969	100.0
162.06271	4.2
173.06039	5.2
173.09691	2.3
174.59869	2.1
182.07225	3.6
184.04262	3.8
184.07559	5.2
186.09201	2.8
197.09586	9.6
201.09167	5.7
202.05327	28.3
213.09138	7.6
215.10648	4.4
224.10838	2.2
225.09010	18.8
227.10532	2.6
243.10159	47.4
244.10527	3.6
346.10989	17.8
364.12219	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	364.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01509	0.3
58.99591	0.7
70.92303	0.4
79.05492	0.4
86.99065	0.5
88.03978	1.0
97.22576	0.4
100.68487	0.4
101.00609	0.6
105.07023	0.5
113.00616	0.4
121.10098	0.4
127.77863	0.4
129.00047	0.5
133.06496	0.7
136.07513	0.5
144.11626	0.3
145.06526	0.4
145.08850	0.8
145.77936	0.3
160.07484	0.4
160.11201	1.9
161.05928	2.2
163.32253	0.3
167.10669	0.3
174.09105	1.8
178.06898	0.9
186.09219	0.4
186.12688	0.7
188.10684	5.7
189.11487	3.7
190.12268	3.3
197.09601	0.4
198.09178	1.3
199.09929	1.0
200.10710	6.3
200.12645	0.3
204.10197	0.5
212.10641	0.9
213.09508	0.4
213.11424	1.7
214.12262	32.4
215.12952	5.8
216.13820	4.4
217.14235	0.4
225.09160	0.9
226.08702	0.5
228.10300	0.6
228.13826	0.8
230.09879	0.6
232.13283	2.8
233.13689	0.5
240.13902	0.7
242.11769	5.8
242.15417	0.8
243.10149	1.2
243.12366	0.7
246.09459	0.9
247.12129	0.5
248.11099	1.9
258.11237	0.5
260.12857	1.4
272.10849	0.6
274.12674	1.1
278.08401	0.7
292.09985	7.5
293.10434	0.5
300.10681	0.4
302.11996	1.0
304.09796	0.4
318.11572	2.2
320.13040	0.7
346.11096	1.3
364.12106	100.0
365.12296	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06531	4.7
60.08226	6.1
69.70858	12.5
69.71213	11.6
79.05483	15.0
81.33939	6.7
85.02922	9.6
91.05473	16.2
93.07036	53.7
95.04948	18.7
97.06520	11.8
97.85039	5.6
111.08070	13.9
121.06504	74.9
123.04419	5.7
124.23955	5.2
129.63425	5.5
131.35316	5.5
139.07515	26.0
149.05954	29.4
167.07030	100.0
185.04161	10.9
253.15125	5.1
294.56317	7.5
365.08328	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13877	3.4
54.78790	4.0
55.01888	3.8
58.75509	3.6
61.07202	3.3
69.03422	6.2
69.85545	13.0
70.06597	3.7
70.53295	3.2
73.02892	3.3
75.40697	3.0
76.87774	3.9
77.03928	4.2
79.51218	3.2
85.02917	8.9
91.05473	23.6
91.75117	3.6
93.07037	76.6
95.04961	20.8
95.58926	3.7
107.81991	3.7
119.04905	20.1
120.08136	4.1
121.06499	82.7
123.04401	8.6
127.03964	6.4
128.07095	5.2
139.07545	14.8
145.04979	3.3
147.04393	72.9
149.05968	100.0
149.92055	3.7
167.07033	55.4
172.09726	10.6
185.04228	7.8
218.10184	34.2
311.11218	3.9
364.13571	5.0
365.08456	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07813	5.4
69.03437	6.4
70.36937	10.2
70.37290	7.2
77.04148	5.4
81.04385	5.5
82.30955	5.4
85.00652	6.3
85.02872	6.7
91.05479	15.7
93.07026	36.6
95.04955	21.9
97.06522	7.3
111.08068	14.8
121.06507	81.1
139.07491	23.9
149.05972	17.2
167.07008	100.0
185.04176	51.4
188.40591	5.6
203.03012	8.6
365.08328	71.5
370.70120	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	364.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75036	0.6
53.03934	0.7
55.05515	3.3
57.07070	1.3
67.05502	10.4
69.03423	5.1
69.07071	3.8
70.06598	5.7
71.08622	0.8
79.05492	8.3
80.04070	0.6
81.07058	9.7
83.08614	1.6
86.06065	100.0
87.04465	17.4
87.06400	0.9
91.05474	4.2
93.07047	8.8
93.45784	0.6
95.04961	1.2
95.08604	7.7
104.07101	23.9
105.07038	2.9
107.08595	5.5
109.10137	2.6
117.07001	1.0
119.08595	2.7
120.65916	0.7
121.10150	4.5
123.11731	1.8
131.08582	2.2
133.10126	1.2
135.08067	1.3
135.11716	2.6
145.10117	1.1
147.11723	1.2
149.13306	1.5
159.11676	1.2
160.72502	0.7
163.14818	0.8
173.13266	1.4
243.20979	0.9
260.34769	0.6
261.22134	4.3
276.53455	0.8
305.24808	3.9
316.85281	0.7
329.24506	1.1
347.25632	0.9
364.28421	1.4
364.32162	4.0
364.35956	0.9
365.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02380	0.4
53.03951	2.3
55.01867	2.2
55.05507	33.3
56.05011	0.3
56.05839	0.3
57.03430	1.2
57.07069	2.7
59.04969	0.3
60.08161	5.3
65.03938	3.9
67.05499	78.5
68.05834	1.6
69.03423	0.4
69.07062	34.2
70.07393	0.5
71.04982	3.0
71.07378	0.7
71.08628	0.6
73.02905	3.3
73.06551	0.7
74.93312	0.3
75.49086	0.3
77.03924	1.0
79.05486	49.6
80.05824	0.9
81.07050	62.7
82.07380	0.9
83.04977	2.2
83.08614	10.2
85.02892	0.4
85.06525	2.3
86.09699	1.9
87.04471	0.5
91.05473	21.9
92.05800	0.6
93.07036	53.5
94.07359	1.0
94.07879	0.3
95.04960	6.2
95.08597	43.6
96.08936	1.1
97.06499	2.0
97.10165	3.1
99.04450	3.8
99.08085	1.0
101.06001	0.4
103.05483	0.4
105.04501	2.5
105.07022	12.1
105.07738	0.7
107.08584	26.6
108.08886	0.6
109.06502	2.5
109.10146	14.3
110.10477	0.4
111.08055	0.9
111.11695	0.5
113.05992	0.4
117.07007	1.5
119.06055	0.4
119.08567	7.1
121.10133	17.7
123.08044	1.8
123.11692	3.4
125.09621	0.9
129.07062	0.6
131.08531	2.8
133.10118	5.2
135.08058	0.6
135.11685	7.2
137.09590	0.6
137.13234	0.7
140.07037	0.7
143.08626	0.5
145.10120	1.9
147.08076	0.4
147.11674	3.1
149.09499	0.6
149.13254	4.6
150.13530	0.4
151.11252	0.4
157.10123	0.5
159.11638	1.4
161.13226	1.3
163.11169	0.4
163.14832	1.8
171.11658	0.7
173.13255	0.9
175.14818	0.6
177.12704	0.6
177.16347	0.8
178.18311	0.3
185.13185	0.5
187.14720	0.3
195.13870	0.5
201.16382	0.4
204.01152	0.3
222.14975	0.4
223.16991	0.4
235.16933	0.6
298.59674	0.4
305.24710	97.6
306.25037	7.3
346.27359	1.6
347.25589	1.4
364.32056	100.0
365.10602	0.4
365.32401	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99375	1.2
53.48301	1.4
57.71718	1.4
57.81869	1.2
58.92156	1.4
62.37463	1.2
68.50755	1.2
70.74046	1.5
70.74365	2.0
77.25149	1.2
79.09708	1.3
86.12456	1.3
111.51840	1.1
112.38905	1.2
149.29337	1.3
185.04210	73.3
186.04633	1.7
203.03154	19.2
238.55638	1.4
365.08411	100.0
366.08777	6.3
366.75122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48279	0.6
66.24662	0.4
70.92461	0.9
119.01970	0.5
151.07593	1.1
155.01892	2.0
161.02917	1.0
173.02998	2.7
173.04248	0.5
182.05750	0.7
185.02921	0.8
185.04216	19.9
186.04614	0.6
203.05255	39.7
204.05650	1.3
211.15244	0.6
224.02278	0.7
245.05026	2.8
265.73276	0.5
305.07166	0.9
365.10532	100.0
366.10849	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83578	0.4
70.64698	0.4
70.65020	0.7
93.30386	0.4
185.04202	8.4
203.05255	23.3
365.10522	100.0
366.10880	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05074	0.6
63.84735	0.5
69.43629	0.8
69.44038	2.1
85.02897	1.4
93.48110	0.6
98.23428	1.1
100.98479	0.5
166.33257	0.5
185.04176	7.1
203.04886	1.2
203.06781	24.4
204.07133	0.8
226.75824	0.6
257.71201	0.6
365.12054	100.0
366.12408	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.3
55.05505	15.0
55.32299	4.6
56.96560	26.2
57.03436	9.9
59.02163	6.0
67.05505	30.0
69.03413	11.7
69.07065	22.1
79.05508	23.5
81.07045	19.1
83.04995	7.8
83.08628	5.8
90.73706	4.3
91.05466	21.8
93.07029	18.3
95.04962	9.2
95.08595	17.3
97.02872	6.5
97.10154	8.9
99.08068	6.1
105.07032	17.9
107.04974	6.8
107.08577	13.4
109.10133	7.3
117.07005	9.4
119.08583	13.9
121.10144	10.2
131.08569	12.9
133.10118	6.6
135.08104	5.6
143.08537	4.6
145.10121	9.7
147.08029	6.3
153.24017	4.8
159.11682	6.2
214.71646	4.9
217.07541	7.0
223.13254	11.1
251.09686	6.3
269.10632	45.0
273.18430	16.4
277.11066	5.7
287.11642	13.2
291.19458	44.6
295.12305	6.8
309.28500	5.0
316.26199	5.9
333.09793	13.8
365.17062	100.0
365.23001	21.4
383.17377	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	365.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52235	6.8
55.05518	13.1
57.07079	100.0
57.55394	5.4
67.05491	26.6
69.03407	7.3
69.07069	49.2
70.89137	10.8
79.05479	17.7
79.14085	6.3
79.28200	5.7
81.07058	32.1
83.08589	13.0
85.06547	51.8
93.07045	29.4
94.20720	5.7
95.08595	25.9
97.06519	17.8
105.07050	6.9
107.08593	22.0
109.06513	31.9
109.10151	10.2
111.08141	9.9
119.08573	10.9
121.10149	8.0
123.08065	10.3
133.10107	12.1
135.08086	30.2
135.11684	32.7
145.10107	10.3
147.11708	9.4
153.12686	19.5
163.11157	11.0
165.12726	10.4
177.12721	11.5
212.70018	6.6
217.14323	18.6
263.20050	63.6
264.41846	5.7
296.31140	6.6
347.25784	93.5
348.25937	6.4
351.14929	8.2
365.17191	40.3
365.26904	19.6
383.17255	15.6
386.60468	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	365.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.1
55.05503	25.2
56.96560	34.8
57.03430	11.1
65.13352	4.7
67.05508	26.8
67.31506	5.3
69.03423	7.8
69.07063	39.3
71.20197	5.3
72.08146	6.3
72.27078	5.3
79.05479	33.8
81.07056	35.0
83.04995	7.1
83.70219	4.8
91.05466	38.3
93.07036	15.3
94.92365	5.1
95.04955	10.6
95.08583	19.0
97.02890	14.1
97.06519	5.4
97.10156	14.7
105.07024	20.0
107.04959	8.0
107.08569	17.1
108.15684	4.8
109.10149	9.1
111.04430	5.9
117.07006	10.3
119.08569	18.7
121.10130	8.3
123.08028	6.9
124.32372	5.1
125.09628	8.0
131.08559	15.0
131.91585	4.6
133.10110	6.9
135.08110	9.1
138.26547	5.4
142.14569	5.6
143.08546	9.6
145.10120	16.5
147.08127	6.9
149.13161	5.0
157.10121	7.8
189.11092	9.0
199.06322	6.1
223.13333	13.4
269.10602	43.9
273.10199	6.6
273.18500	23.3
287.11719	9.9
291.08951	7.7
291.19467	58.5
295.12253	11.8
333.09671	14.2
364.65100	11.6
365.17087	100.0
365.23056	30.7
366.17401	7.1
373.48315	5.8
383.17502	7.6
384.05630	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	365.1956
Annotation	Smardaesidin A
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	12.7
55.05513	9.4
57.03432	36.8
57.07064	1.8
62.26914	0.9
65.03934	8.2
67.05494	11.3
69.03415	4.6
69.07050	6.4
69.88419	2.8
71.04985	12.1
73.06554	1.9
77.03905	1.5
79.05493	12.1
81.03406	12.7
81.03844	1.6
81.07052	14.7
83.04972	9.7
83.08601	3.6
85.02893	20.3
85.06538	11.1
91.05470	14.2
93.03390	4.5
93.07039	19.6
95.04954	11.4
95.08591	9.9
97.06499	4.9
99.04443	30.2
99.08083	4.4
100.04850	1.1
101.02389	2.1
101.06005	1.0
103.05470	1.5
105.07021	28.0
107.04945	3.9
107.08587	25.5
109.02867	18.9
109.06519	16.6
109.10148	7.1
111.04431	9.4
111.08046	2.9
113.02361	13.8
113.05972	7.9
117.07023	5.6
118.10738	1.0
119.04955	1.5
119.08566	32.8
121.06512	5.3
121.10132	92.0
122.10490	2.8
123.04395	1.5
123.08057	18.9
123.11713	3.1
125.05972	3.7
125.09615	10.9
127.03900	27.6
128.06229	1.8
129.06979	5.2
130.07803	2.1
131.08568	14.7
133.06445	2.6
133.07503	1.8
133.10115	26.7
135.04408	1.3
135.08049	8.4
135.11673	13.6
137.02301	8.5
137.05972	5.0
137.09592	9.5
137.13240	2.8
139.03886	3.0
141.06943	1.9
142.07773	3.4
143.08543	7.5
144.09322	3.7
144.57228	1.0
145.10103	15.8
146.10854	1.4
147.08043	7.0
147.11716	6.9
149.05995	3.4
149.09610	8.6
149.13237	3.9
151.07530	2.4
151.11183	4.4
153.05513	2.2
153.06982	2.0
155.03363	8.7
155.08516	6.7
156.09370	4.7
157.10139	10.9
158.07324	1.2
158.10762	1.4
159.08046	6.7
159.11687	14.4
160.12468	1.4
161.09633	7.5
161.13248	2.3
163.07512	2.8
163.11163	10.0
165.05464	3.1
165.06879	2.0
165.09146	1.4
167.08505	2.4
169.10107	8.2
170.10780	1.9
171.06535	2.0
171.08093	1.0
171.11673	10.5
173.04424	10.2
173.09602	7.7
173.13237	13.4
175.07588	1.3
175.11188	6.6
175.14792	44.4
176.15106	1.8
177.09091	3.5
177.12740	16.8
179.07047	1.9
179.08531	3.0
179.10764	1.0
181.10112	4.2
181.12305	1.4
182.10939	2.4
183.06537	2.8
183.11679	5.7
185.09633	4.5
185.13225	5.8
186.10393	1.4
187.11200	8.4
187.14709	1.5
189.09210	1.5
189.12729	4.6
190.13188	1.2
191.14331	4.3
192.09389	1.2
193.10190	2.3
193.15865	71.2
194.10918	2.3
194.16177	3.5
195.11661	5.9
196.12401	2.8
197.08058	6.9
197.09647	2.6
197.13194	5.6
199.11179	3.4
199.14803	3.5
200.11966	1.0
201.09067	3.1
201.12746	6.3
202.13367	1.5
203.10643	1.0
203.14355	2.6
205.08585	2.8
207.11705	2.5
208.12387	1.4
209.13231	3.9
211.05968	9.4
211.11243	3.3
211.14777	8.8
212.11905	1.3
213.09192	1.9
213.12732	5.1
213.16411	1.5
215.10661	7.2
215.14256	5.3
217.08522	1.7
217.12164	1.6
217.15889	2.1
219.09996	1.3
219.13879	1.7
221.13208	2.7
221.15199	2.2
223.09459	2.4
223.11348	1.6
223.14861	4.7
225.12624	1.7
227.10690	2.4
227.14220	4.7
229.12209	2.0
229.15826	9.4
231.10106	1.5
231.13852	1.7
231.17436	1.2
233.11595	2.1
233.15433	2.7
237.12912	2.2
237.16354	2.9
239.14243	2.7
241.12129	3.2
241.15889	3.9
243.10104	2.5
243.13892	2.9
245.15332	2.0
247.14766	1.7
247.16927	12.6
251.14279	2.4
253.12341	3.6
255.13748	3.7
255.17461	1.5
257.11838	1.6
259.13269	1.9
261.11151	3.7
265.15851	4.2
269.15295	5.1
271.13290	3.5
273.14896	3.9
273.18533	4.2
275.12485	1.3
283.16946	5.3
285.18665	1.3
287.12979	2.2
287.16409	2.6
289.14346	5.2
291.12662	1.3
291.15887	3.7
291.19397	2.3
293.15387	5.6
301.17914	7.0
303.15912	1.5
305.17200	1.7
311.16339	12.3
319.19003	6.5
329.17477	16.8
330.17691	1.4
347.18481	46.8
348.18869	4.2
365.19537	100.0
366.19803	8.4
368.63593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.03422	0.9
67.05486	1.0
69.07060	2.2
73.18999	0.5
75.23532	0.5
79.05490	0.9
81.03412	1.0
81.07035	1.4
82.03754	0.7
91.05476	1.0
93.07056	1.3
95.04962	1.4
95.08591	0.9
97.06550	1.6
105.07045	1.3
107.08575	1.0
109.10167	0.7
119.08596	1.2
121.10136	1.1
123.07983	0.6
131.08588	0.9
133.10161	0.9
135.08087	1.1
145.10123	1.0
149.09650	1.0
157.10138	0.8
159.11687	0.6
161.09715	0.9
171.11681	0.9
171.55904	0.6
173.13264	1.0
191.14296	1.6
217.47823	0.7
241.15962	0.7
249.14738	0.8
313.17816	0.7
364.33273	2.8
365.22974	100.0
366.23386	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	365.2299
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.05501	0.6
57.03434	0.6
57.34349	0.5
62.86134	0.4
67.05493	1.6
69.07057	0.7
69.34863	1.7
79.05482	1.4
80.45781	0.4
81.07047	1.7
83.04977	0.5
91.05483	1.3
93.07017	1.0
95.04968	0.9
95.08594	0.9
97.06538	0.6
100.74741	0.5
103.94099	0.4
105.07019	1.2
107.04939	0.5
107.08606	1.1
109.59581	0.4
114.41350	0.4
117.06971	0.4
119.08561	0.5
121.10093	0.8
131.08611	0.5
133.10141	0.6
135.08020	0.5
149.11176	0.4
155.28441	0.5
159.11763	0.6
161.03328	0.5
174.57587	0.4
191.14409	0.6
192.22273	0.5
195.09926	0.4
199.81192	0.5
201.19031	0.4
203.05156	0.4
205.08328	0.7
249.14571	0.9
263.05109	0.4
273.18457	1.0
291.19510	0.8
295.15054	0.7
315.98236	0.4
347.21912	0.5
365.22946	100.0
366.23337	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	6.7
55.05514	8.2
57.03436	53.6
57.07063	2.9
59.11966	1.6
65.03941	3.5
67.05502	45.2
67.05861	2.8
69.03430	2.8
69.07068	8.7
69.08538	13.1
70.93877	1.7
71.04994	4.5
79.05495	20.2
80.45631	1.4
81.07050	24.3
83.04972	4.5
83.08629	3.7
85.06543	36.6
91.05469	21.5
93.07030	18.2
94.71781	1.6
95.04964	56.6
95.08617	11.1
97.06535	4.5
97.10149	1.7
98.22779	3.3
99.04467	1.5
105.07019	13.1
107.04950	9.2
107.08597	13.4
109.06512	48.4
109.10142	4.0
111.04286	2.2
111.08051	1.9
113.06001	100.0
117.07004	7.5
119.08565	9.0
121.06499	2.9
121.10152	5.1
123.08068	5.1
128.06241	2.2
128.95435	1.9
129.06995	6.6
131.08554	11.8
133.06549	1.8
133.10117	8.1
135.08044	35.8
135.11684	6.8
137.05795	1.7
137.09592	1.9
143.08536	5.9
145.10088	10.3
147.08028	3.9
147.11682	3.5
149.09608	5.9
157.10117	3.6
159.08089	1.7
159.11722	5.8
160.12222	1.5
161.09604	10.4
163.11150	3.9
165.09081	1.7
171.11700	6.3
173.13237	2.5
175.11243	2.2
177.12733	2.7
183.11711	2.2
199.11119	1.9
199.14764	3.2
201.12720	1.7
205.08385	5.4
217.15875	14.4
219.13889	2.0
245.19003	2.7
263.12552	10.0
269.10635	2.5
273.18454	18.9
291.19492	32.8
365.10535	2.7
365.19339	3.4
365.23001	76.3
366.23367	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01866	8.4
55.05262	2.1
55.05509	33.1
57.03436	9.8
57.07061	1.6
59.04995	1.7
65.03934	2.4
67.05501	33.7
69.03073	1.1
69.03436	15.4
69.07066	45.2
69.49098	4.2
71.04964	3.1
77.03931	1.2
79.05045	1.7
79.05489	31.6
81.03400	5.8
81.07056	29.4
83.04979	5.9
83.08612	11.3
85.06532	2.1
91.05478	18.5
91.06001	2.1
93.07034	22.3
95.01321	1.4
95.04970	10.4
95.08595	16.8
97.02891	18.6
97.06535	5.9
97.10167	17.5
99.08118	1.3
105.04519	1.5
105.07032	15.5
107.04948	9.6
107.08590	17.3
109.06506	3.7
109.10148	13.2
111.08086	2.4
115.05418	1.3
117.07005	9.4
119.08589	17.4
121.06496	3.7
121.10118	7.9
123.08076	4.8
123.11735	2.0
125.09637	13.6
128.06218	1.6
129.06996	4.7
131.08560	8.9
133.06468	3.3
133.10147	9.8
135.08034	8.4
135.11726	4.0
137.09627	4.5
143.08545	4.0
145.10114	9.9
147.08041	6.0
147.11696	3.9
149.09602	2.9
149.13313	5.8
151.11191	2.6
157.10098	2.4
159.08112	1.2
159.11620	5.7
161.09540	2.5
161.13293	1.8
163.11220	1.9
165.09128	1.5
171.10207	1.9
171.11641	3.3
173.13292	4.0
175.11189	3.5
176.12013	0.9
177.12756	1.9
181.10185	1.1
185.13295	2.9
187.14821	4.6
189.11269	6.3
189.16371	2.8
193.59659	1.1
195.13893	1.9
199.11223	1.2
199.14850	2.7
201.16415	1.4
205.12273	2.6
213.16354	2.2
223.13281	33.8
224.13666	1.1
227.12804	2.1
227.17905	2.1
243.21141	3.0
245.18994	2.5
255.17480	1.8
263.20016	1.5
269.22675	2.9
273.18488	17.6
287.23630	1.9
291.19528	100.0
292.19760	5.6
305.24771	2.2
363.44382	1.0
365.23196	52.1
366.23627	4.1
382.44995	1.1
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	Unknow
Peak:m/z	Relative Intensity
51.25541	4.1
51.70062	3.8
53.03973	4.4
53.53336	3.7
55.05505	17.8
57.03419	6.3
57.07068	7.1
59.05005	7.9
59.85828	4.8
65.03908	5.0
67.05499	31.4
69.03428	6.7
69.07050	29.0
71.04979	5.2
78.79012	5.3
79.05491	35.1
81.07056	41.8
83.04967	8.1
85.06538	7.0
91.05474	50.4
93.07047	56.5
93.74088	4.4
95.04965	43.3
95.08598	29.4
97.06495	9.7
98.22694	8.5
100.04641	5.3
103.05458	4.9
105.04582	6.4
105.07027	65.7
107.08599	38.4
109.06503	8.9
109.10181	22.7
117.07011	20.5
119.08579	64.7
121.06502	6.3
121.10115	40.6
122.64961	4.9
123.08067	9.1
128.06218	9.7
129.07013	22.9
131.08588	41.2
133.10091	27.8
135.08047	16.1
135.11691	7.8
141.06981	6.7
142.07806	26.7
143.08536	33.0
145.06558	5.9
145.10120	43.3
147.08049	9.2
147.11687	12.9
149.09618	12.4
149.13321	8.7
153.06909	5.6
155.08521	16.9
156.09294	16.0
157.10152	38.2
158.10898	6.4
159.08046	6.6
159.11668	19.9
161.09608	18.0
161.13235	5.0
163.11198	5.6
165.07005	10.2
167.08527	10.4
168.09303	7.9
169.10184	26.3
170.10905	10.8
171.11661	28.7
173.09677	8.1
173.13275	26.9
175.11169	5.1
177.12799	4.4
179.08557	10.6
180.09357	7.1
181.10114	19.3
182.10847	12.3
183.11725	26.7
185.09486	6.7
185.13213	10.3
185.27574	5.1
187.11153	9.9
187.14787	9.1
191.14290	12.8
192.09286	11.3
193.10110	17.3
194.10916	12.4
195.11681	18.7
197.13222	17.0
199.11339	8.0
199.14833	9.4
201.12718	11.9
205.10133	6.3
206.10886	8.7
207.11668	26.7
208.12486	8.9
209.13234	21.5
211.11095	6.9
211.14810	15.1
212.11848	4.4
213.12596	5.0
216.15030	4.4
217.10028	4.9
219.11714	10.5
220.12440	7.9
221.13219	17.2
223.11223	5.9
223.14851	7.4
225.12720	9.5
225.16451	6.8
232.12492	5.2
233.13194	7.9
234.13922	6.6
235.14803	10.5
237.16348	7.3
245.13231	6.6
247.14745	8.2
249.12666	7.3
249.16399	12.1
255.17491	7.3
263.17847	10.5
265.15741	5.7
267.17429	6.8
273.21768	6.1
281.19122	7.1
282.19919	5.4
297.18506	9.5
347.23419	25.9
365.24692	100.0
366.25052	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	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	26.3
55.01868	9.3
55.05509	60.6
57.03436	17.0
57.07075	16.9
59.04996	4.5
65.03938	2.4
67.05499	98.2
69.03421	2.9
69.07064	22.7
71.04992	5.5
71.08624	3.7
77.69823	2.4
79.05486	72.2
79.64371	2.8
81.03409	71.9
81.07053	100.0
83.04967	17.8
83.08608	26.0
85.06548	4.7
91.05459	34.2
93.07037	57.3
95.04957	41.2
95.08598	57.7
97.06544	7.0
97.10158	17.8
98.23482	9.5
105.07016	32.7
107.04964	6.7
107.08583	40.4
109.06515	11.0
109.10155	25.6
110.13745	2.5
111.08060	4.8
117.07003	8.6
119.08550	19.0
121.10129	24.7
123.08101	7.2
123.11705	15.3
125.09629	15.3
129.06995	5.6
131.08539	8.4
133.10146	8.6
135.08075	6.3
135.11682	11.3
137.09668	2.8
137.13246	4.1
143.08556	4.7
143.10744	3.0
145.10152	4.5
147.08046	3.1
147.11682	19.8
149.13248	11.5
153.12688	5.0
157.10107	3.6
159.11629	2.8
161.13234	13.8
163.11121	2.6
163.14825	9.0
165.12738	20.0
171.11688	8.6
173.11710	6.9
173.13275	2.6
175.14790	6.4
179.14296	11.1
181.12140	3.7
185.13297	3.8
189.11218	9.4
189.12772	6.5
193.15837	3.2
199.14816	3.8
207.13748	14.1
245.22682	3.0
255.21036	4.2
273.22205	13.1
291.23132	61.2
292.23557	3.5
365.22488	3.1
365.26813	50.7
366.26831	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	365.2687
Annotation	3-Acetylvarodiol
Peak:m/z	Relative Intensity
52.18835	0.6
55.05519	1.7
57.07075	14.8
58.65601	0.7
58.79394	0.7
67.05507	1.8
69.07061	3.2
79.05479	1.7
81.07059	2.7
85.06541	8.5
91.05479	2.0
93.07041	2.3
95.08616	3.3
105.07030	1.5
107.08575	1.2
109.06512	12.3
109.10133	1.5
109.36363	0.8
119.08602	0.7
121.10122	1.0
123.08085	3.3
131.17165	0.7
135.08054	1.8
136.22942	0.9
137.05983	1.8
137.09550	0.9
137.25615	0.8
145.10075	0.8
151.07536	6.3
194.52254	0.8
234.10826	0.7
255.82999	0.8
259.75360	0.9
263.20047	100.0
264.20404	6.3
347.25909	5.0
365.10223	1.2
365.26743	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	365.2686
Annotation	6-Acetylandalusol
Peak:m/z	Relative Intensity
52.16302	1.7
55.01843	1.8
55.05507	7.9
63.57441	1.6
64.01266	1.6
67.05506	10.5
67.87864	1.6
69.07070	11.4
71.04984	3.6
73.53264	1.6
79.05499	12.0
81.07060	16.9
83.04967	2.6
83.08605	5.7
85.06541	5.8
89.06665	1.8
91.05476	8.6
93.07043	13.8
95.08609	13.3
98.22676	3.1
105.06993	9.4
107.08607	12.3
109.06516	3.8
109.10154	4.7
119.08605	10.5
121.06474	2.8
121.10175	9.0
123.08114	8.9
123.11691	2.1
125.05960	2.1
131.08537	4.7
133.10130	5.8
135.08049	100.0
135.11688	5.3
136.08415	4.1
137.06003	2.2
137.09634	15.2
145.10100	4.2
147.08014	1.9
147.11682	5.2
149.09625	10.3
149.13229	2.4
157.10083	3.6
159.11668	7.9
161.09682	4.0
163.11133	3.8
173.13292	3.3
175.11177	4.7
177.12759	8.7
261.22232	2.1
287.20016	3.2
289.21722	3.4
291.19611	18.6
305.21155	12.5
307.22638	17.3
329.24750	25.9
347.25793	83.9
348.26126	4.0
365.10486	4.7
365.26929	33.1
366.27167	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	365.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77218	1.9
55.05503	17.0
57.03438	2.5
57.07064	6.0
62.01276	1.7
65.03943	1.7
67.05499	20.3
69.03428	30.4
69.07069	21.0
69.27767	4.9
69.28178	6.3
71.04990	3.7
77.34969	2.2
79.05495	17.6
81.07056	63.4
82.07365	2.8
83.04990	4.5
83.08609	2.8
85.06542	7.8
91.05459	12.6
93.07042	60.4
95.04974	8.1
95.08608	29.5
97.06516	4.3
99.08098	2.9
105.07027	20.0
107.08588	83.8
108.08949	2.6
109.06518	29.8
109.10152	28.4
111.08080	5.9
117.07003	2.5
119.08582	14.7
120.59599	1.7
121.10146	58.0
123.08080	4.0
123.11702	21.1
125.09603	7.0
127.07555	5.0
131.08617	3.5
133.10130	49.1
135.08043	2.3
135.11687	7.3
137.13223	5.3
145.10121	8.3
147.11691	8.8
149.09645	3.5
149.13249	100.0
150.13599	4.6
151.11172	97.7
151.65163	2.2
152.11511	4.7
157.10201	4.5
159.11748	10.8
161.13219	4.8
163.14833	3.1
165.12759	3.9
171.11699	4.3
173.13181	9.7
175.14798	4.5
177.16443	10.8
185.13223	4.4
187.14798	11.5
199.14850	4.1
201.16409	7.0
205.15897	3.7
211.13280	39.3
211.15120	3.2
213.16409	5.1
269.22711	7.6
287.23645	7.0
305.24725	3.7
307.26355	6.3
329.24878	4.5
334.77957	2.1
347.25815	6.4
353.84222	2.0
365.26886	6.4
365.32458	3.6
366.33478	4.1
377.93732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.86781	0.4
55.01863	0.7
55.05503	2.0
57.07075	12.4
59.55948	0.4
67.05501	2.3
69.07058	2.2
70.67592	0.7
72.19502	0.4
79.05496	2.5
81.07042	3.5
83.08640	0.6
85.06540	5.2
89.86990	0.5
91.05489	1.4
93.07049	2.9
95.04979	1.3
95.08607	2.8
97.06557	0.7
105.07034	1.4
107.08577	2.4
109.06511	4.2
109.10158	1.2
111.08064	0.7
112.97619	0.5
117.07015	0.5
119.08596	1.3
121.06487	0.5
121.10162	1.7
123.08063	5.9
123.08903	0.6
123.11694	0.6
124.08846	2.9
125.06007	1.0
129.06917	0.6
131.08585	0.5
133.10127	0.9
135.08031	2.7
135.11693	0.6
137.05936	0.7
137.09637	0.6
138.06761	0.7
139.07579	0.6
143.08568	0.5
147.11703	0.9
149.09625	0.6
149.13243	0.8
151.07549	5.4
151.11227	1.0
152.08328	10.3
157.10146	1.0
159.11639	0.6
161.09639	0.9
165.09105	13.8
166.09837	0.7
175.11151	0.4
177.09116	0.8
177.12761	0.6
179.10713	3.2
179.14401	0.5
181.12296	0.7
185.13345	0.9
193.11986	0.4
193.19370	0.4
194.13020	5.2
195.11765	0.4
195.13597	0.4
196.85889	0.4
199.14830	0.4
207.12042	0.5
207.13828	2.9
221.15414	0.9
249.18539	1.5
263.20047	6.5
264.20316	0.5
291.19559	0.5
297.48947	0.5
305.24750	0.6
306.25104	0.8
319.26318	2.1
329.24860	0.5
347.25815	22.2
348.26151	1.8
365.26874	100.0
366.27170	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	365.2685
Annotation	6-Acetylandalusol
Peak:m/z	Relative Intensity
50.42593	1.6
55.01861	6.7
55.05267	1.8
55.05515	23.2
57.03430	2.7
57.07061	4.0
59.04997	2.7
67.05496	28.9
68.05840	2.0
69.03429	1.8
69.07066	34.7
69.15807	13.2
71.05004	3.2
71.08614	3.3
72.77165	1.7
73.54578	1.7
79.05498	22.0
81.07056	38.0
82.07368	1.9
83.04987	5.8
83.08614	14.4
85.06539	4.2
91.05472	15.5
93.07040	30.4
94.07350	2.6
95.04966	3.7
95.08597	34.8
96.08925	2.7
97.06528	11.0
97.10152	3.0
99.08060	2.5
105.07037	17.6
107.08588	40.3
108.08878	1.9
109.06506	9.5
109.10158	14.4
111.04441	5.7
111.08098	5.8
117.07012	4.2
119.08553	16.7
121.06514	6.2
121.10133	19.7
122.10521	2.9
123.08067	14.0
123.11710	4.7
125.05974	9.9
125.09666	5.2
131.08554	7.7
133.06557	1.9
133.10123	14.2
135.08038	41.6
135.11670	12.8
137.05957	13.0
137.09627	5.6
137.13309	2.2
143.08565	4.5
145.10144	12.1
147.08070	2.7
147.11674	9.6
149.09612	8.5
149.13199	12.0
150.10065	2.1
151.07542	1.9
151.11218	3.8
153.12737	4.1
157.10156	4.5
159.11707	14.1
161.09677	10.6
161.13271	3.2
163.11226	10.6
163.14873	2.4
165.12709	2.6
167.14337	3.1
167.22932	2.1
171.11656	3.1
173.13290	5.0
175.11191	8.6
175.14877	3.4
177.12726	15.0
177.16374	2.3
185.13301	1.8
189.12766	2.7
191.14378	2.4
203.14369	1.9
212.48848	1.9
228.77884	2.2
231.15836	2.8
244.84013	1.8
247.20554	6.7
249.18692	2.2
263.20230	2.2
273.22092	2.2
275.20154	2.9
287.20035	3.6
289.21503	2.4
291.19528	10.7
301.25168	11.4
303.33704	1.8
305.21292	2.0
306.24973	8.7
307.22571	3.4
311.23685	6.1
319.19727	1.8
319.26321	9.5
329.24741	80.0
330.24921	3.9
347.25809	96.7
348.26233	5.2
365.23102	3.7
365.26892	100.0
365.32257	12.6
366.27167	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	366.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65192	0.4
55.01862	0.5
56.96558	0.5
57.03452	0.5
62.37931	0.4
69.03426	0.6
70.06593	0.7
70.53819	0.7
81.03421	0.7
81.07030	0.4
82.99950	0.4
84.08128	0.8
85.02927	0.5
85.06426	0.6
86.09679	0.7
89.03898	0.9
91.05485	0.5
95.06084	1.2
95.08582	0.6
98.97581	1.2
101.00907	1.8
103.64990	0.4
110.07189	0.4
116.98625	0.7
117.03375	2.1
118.03716	0.5
119.01905	5.4
119.80514	0.4
120.02006	0.5
123.08072	0.7
127.73071	0.4
128.04568	1.3
131.01910	0.5
131.05695	0.7
132.02083	0.6
134.99751	0.7
137.02953	1.0
143.02980	0.8
145.02777	3.1
146.03171	0.7
147.04396	1.1
149.03058	0.8
149.05937	0.6
150.06232	0.5
151.07526	1.7
156.01953	0.6
158.99849	0.5
163.03885	3.1
164.04222	1.0
167.04141	4.5
169.08553	0.7
174.02762	0.9
175.03398	0.9
177.00929	10.2
177.05486	4.5
178.01054	1.3
178.05772	1.2
179.00650	0.5
181.05069	0.5
184.05626	0.5
185.05275	1.3
186.04535	0.6
192.03653	12.8
192.15021	1.0
193.03903	0.7
201.00917	1.1
203.60544	0.4
204.07776	0.5
207.02386	1.9
209.05249	0.7
210.04718	77.9
211.03206	0.5
211.04868	4.0
212.05121	0.6
216.98927	0.6
217.04016	2.0
219.01991	12.1
220.02060	0.9
221.01555	0.5
222.03151	2.3
223.02490	0.4
225.01256	0.6
225.03395	5.2
228.05804	12.4
229.05807	0.5
233.03592	1.1
234.04706	61.0
234.99969	1.9
235.03059	1.3
235.05133	2.8
236.00169	0.7
240.04358	0.7
240.98987	0.5
243.01961	3.7
252.05769	100.0
253.03613	0.4
253.06133	4.9
258.99969	4.9
260.00070	1.3
261.03058	42.4
265.03781	0.5
270.06836	5.3
271.04071	0.6
271.06735	0.5
275.07434	2.8
277.01056	4.2
279.00787	0.7
283.00024	9.3
284.00150	3.3
284.99823	1.0
289.04770	1.0
290.04880	1.1
301.01025	13.6
302.01129	5.5
303.00989	1.5
304.98181	0.5
306.10889	1.1
318.05161	0.6
319.02118	0.8
325.01248	1.3
328.04150	0.6
341.95724	0.5
343.02133	6.6
343.06244	0.8
344.02112	1.0
346.05606	0.9
361.03333	1.5
366.07620	3.7
367.10327	0.6
384.08212	1.8
385.03110	3.3
385.07404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00167	0.4
53.03951	1.0
55.01869	3.4
55.05513	0.5
65.03933	0.7
67.05493	0.6
67.40788	0.5
69.03421	1.7
69.26563	1.5
73.01083	0.7
79.05486	8.1
81.07043	1.5
83.04962	1.3
88.02187	0.7
89.30906	0.4
91.05474	6.6
93.03384	0.8
93.07040	2.2
95.04955	1.8
105.07013	4.9
107.04945	1.2
107.08583	15.0
109.02866	14.4
109.06498	3.9
111.04426	3.1
115.05458	2.2
117.07004	6.0
119.06045	1.0
119.08580	1.0
121.06470	1.9
122.02730	0.8
128.06161	1.1
129.06979	1.2
133.06476	1.1
134.86954	0.5
135.08040	27.8
136.08299	0.8
137.05957	2.0
141.06950	0.6
142.07742	0.8
143.08556	2.5
145.06464	1.2
151.05756	0.6
151.07536	1.0
155.08519	0.7
156.09334	1.9
158.07364	0.6
159.08020	0.9
161.06039	0.8
161.09593	0.6
163.07524	100.0
164.07890	2.9
165.06964	0.9
166.07748	1.4
171.11647	2.6
177.03635	0.5
181.10141	1.2
183.08040	0.7
184.08853	0.8
185.09627	1.1
196.05367	0.4
199.11176	4.2
209.09566	1.4
227.10645	38.3
228.11026	2.3
245.11702	34.3
246.12071	1.7
277.08881	1.6
281.10770	0.5
348.12598	0.8
366.13412	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01869	7.4
55.05503	2.3
57.03430	4.7
61.02917	5.9
61.13993	1.2
68.99805	3.3
69.03422	38.0
69.03803	1.8
70.62031	2.5
71.04987	5.9
73.02911	8.1
81.03410	29.8
81.99806	1.2
83.04982	1.8
83.08616	2.6
85.02898	100.0
87.00822	45.3
93.07042	1.3
97.02885	32.6
99.04458	14.5
101.02367	1.3
105.01853	53.9
108.04449	4.0
109.02873	27.9
111.08064	2.0
115.03918	1.5
117.01858	3.6
126.05391	1.7
126.71685	1.1
127.03902	60.5
128.04195	1.3
129.01840	3.0
136.06195	3.8
137.31221	1.3
139.07545	1.5
141.09079	1.2
145.04953	31.0
147.02866	2.6
159.02861	13.9
171.02934	1.6
189.03996	2.5
209.11717	4.2
231.04950	15.4
248.07762	1.2
249.06061	3.8
295.11731	5.2
366.21994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	6.6
69.03413	4.7
79.05495	8.4
81.03426	11.3
81.07057	17.2
83.04987	8.7
91.05487	4.1
93.07050	10.0
93.54619	3.9
95.08619	37.9
97.02878	5.2
105.07020	19.5
106.33072	3.8
109.06513	7.3
121.06514	4.5
123.08064	89.1
125.06030	8.0
133.06493	9.4
151.07541	100.0
169.08607	20.6
245.02492	3.6
310.01288	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54734	4.1
60.34185	4.3
69.76756	17.8
81.03416	6.9
123.08099	8.0
151.07533	100.0
154.64873	4.5
187.03638	8.0
244.81041	5.1
367.10022	48.2
367.39722	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.6
65.99321	2.3
67.05505	9.8
69.03439	3.4
69.41263	7.8
69.41676	3.2
70.06583	4.2
72.08160	2.8
77.92625	1.6
79.05499	3.6
81.07051	7.6
84.41917	1.8
85.02895	3.8
86.09705	14.4
93.07045	5.4
95.04944	1.8
95.08606	32.9
105.07047	4.6
113.73863	1.7
120.08121	10.5
121.04695	1.9
123.07155	4.2
123.08059	76.3
128.00787	4.5
130.06581	2.2
136.07576	2.2
141.09116	2.8
144.08029	2.0
146.06035	2.3
147.04393	2.9
151.07536	100.0
152.07944	2.5
157.13394	2.7
169.08601	25.0
178.31445	1.9
181.04964	2.7
185.12802	2.0
190.10907	2.6
202.03516	2.2
209.55452	2.1
234.13625	3.7
240.73068	1.9
246.89511	1.9
367.13495	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01578	1.2
55.01866	3.5
60.04532	3.1
61.02920	1.8
64.33481	1.4
67.05500	5.5
69.03420	2.8
69.79070	5.0
71.05036	1.4
75.65269	1.4
78.53186	1.3
79.05495	20.8
81.07058	32.8
83.00879	1.4
85.02904	10.9
93.07048	1.6
95.08606	52.2
96.08934	1.9
97.02894	2.8
98.22764	2.6
101.02399	2.8
105.07037	12.4
107.08582	2.0
123.08065	100.0
124.08395	3.3
134.08168	1.4
141.09093	27.7
144.79013	1.5
151.07559	8.0
169.08574	15.9
180.08681	1.8
187.09656	71.6
188.10005	3.1
250.87375	1.6
275.72763	1.7
348.27469	2.3
366.14087	2.1
366.28168	1.8
367.11554	2.5
387.26996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31107	9.2
51.82702	8.3
53.03947	10.2
55.05491	11.5
56.96571	15.9
57.03433	27.1
58.49115	9.4
67.05490	50.8
68.05866	9.2
68.61211	8.9
69.03431	10.5
69.07051	16.3
69.52339	42.3
70.06593	18.9
72.08139	10.2
74.24149	10.3
79.05493	25.3
81.03405	86.9
81.07045	25.5
91.05485	22.0
93.07031	25.4
95.04959	100.0
95.08619	22.0
98.23496	11.7
101.06019	35.9
105.07031	12.4
107.08602	24.7
109.06488	20.3
109.10136	31.1
119.08583	31.1
121.06499	13.6
123.04417	31.1
123.08018	13.8
131.08562	16.9
133.10129	28.9
134.03540	9.9
135.08054	24.9
135.11699	54.4
137.09619	18.0
142.07808	11.2
143.08572	12.2
145.06523	13.5
145.10162	12.6
147.08136	13.5
147.11705	11.8
149.09593	13.1
151.11179	14.7
153.09088	11.6
153.12724	17.6
157.10081	11.7
161.09506	15.9
162.78429	10.3
173.09595	16.1
173.13188	17.5
175.11118	13.4
179.10713	15.2
181.12190	17.0
187.11180	17.2
189.12808	15.2
191.14244	28.8
199.11195	11.7
219.13823	13.5
229.15733	11.7
247.08693	10.1
257.15289	30.1
275.16476	62.3
275.19778	10.0
293.17282	17.9
295.16858	17.1
313.18048	55.3
331.18985	87.5
331.22559	17.4
348.18866	14.0
349.20178	15.3
366.23279	18.1
367.17636	35.1
385.18762	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	367.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01854	1.4
57.03435	9.3
58.99582	3.8
59.04997	1.6
60.88759	0.9
61.01143	4.0
64.14634	0.8
67.05492	1.2
70.06573	1.2
70.64600	1.4
71.04987	1.5
73.01118	4.2
73.02937	1.3
75.04475	30.6
81.03429	1.4
81.07072	1.3
81.57916	0.8
83.04959	1.2
83.14526	0.9
85.01093	4.1
86.99035	1.4
87.02687	28.4
89.00609	24.2
90.78733	1.0
91.05500	1.2
102.98516	1.7
105.00101	1.1
107.08595	1.1
115.02143	100.0
116.02512	1.8
117.07014	0.9
119.08546	1.2
121.06537	1.2
122.89970	1.0
133.03177	53.7
133.06552	0.9
135.08052	2.5
142.12250	1.2
143.01581	1.4
154.66394	0.9
161.02658	41.9
162.03059	1.2
170.11816	0.9
173.05988	3.1
175.07568	0.9
189.09076	15.0
191.07039	1.7
199.11198	3.0
212.08247	2.2
213.09111	2.2
227.10667	3.8
229.12299	1.9
245.11691	6.9
276.72556	0.9
349.10956	2.4
367.12076	22.1
367.20862	12.4
368.12253	1.3
368.28806	1.1
394.76175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
59.04998	1.4
65.75837	0.9
66.92939	0.9
69.03430	1.1
69.07068	7.4
77.77420	0.9
79.05488	2.6
83.04977	17.2
89.00633	0.9
91.05476	6.0
93.07033	6.0
95.04964	2.7
97.02927	1.0
97.06528	9.7
103.05441	1.4
105.07018	13.0
109.06503	0.9
115.05453	2.3
117.07028	2.8
121.06496	11.1
128.06230	3.9
129.06996	4.6
131.08568	3.3
133.06471	10.3
135.04419	9.0
135.08092	0.9
141.06952	2.0
142.07739	1.7
143.08611	1.7
145.06473	25.4
145.10114	1.8
153.06990	1.5
155.08536	3.0
157.10100	2.5
158.07350	1.3
159.08022	7.2
159.11603	1.3
160.08652	1.0
161.05974	27.3
161.09729	1.0
168.09386	4.2
171.08083	2.0
172.08839	4.1
173.05980	11.9
173.09601	2.9
174.06747	5.1
175.07596	3.3
178.07784	4.1
181.06473	9.7
182.07271	3.6
183.08025	3.7
183.11658	3.7
185.09634	2.0
186.10347	2.4
187.07521	7.0
187.11188	9.2
193.10141	3.3
195.07999	5.5
196.08832	29.3
197.09558	14.6
198.09975	1.4
201.12723	16.1
202.13127	1.1
209.09596	1.9
211.11166	62.3
212.11853	10.3
215.10646	19.1
227.10678	1.3
229.12221	100.0
230.12621	5.5
310.17349	0.9
367.20950	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	367.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	19.4
63.52877	1.4
67.05507	3.3
69.07044	2.9
70.06593	8.7
71.43047	1.8
79.05463	5.5
81.03412	2.7
81.07028	6.8
88.53061	1.4
89.35464	1.4
93.06996	2.0
95.04938	1.9
105.06994	2.1
106.43185	1.5
110.97553	3.4
119.08532	2.0
128.98550	3.4
133.10066	2.3
137.02702	1.8
146.99570	2.3
180.57591	1.6
195.06808	2.2
199.06310	3.1
205.07359	1.8
211.06407	2.1
213.07922	7.3
217.07370	4.1
225.07916	3.4
229.07494	8.3
231.08939	9.8
239.09564	3.3
241.10980	4.7
243.08900	4.8
247.08362	6.4
251.09442	4.1
253.10986	1.6
255.08931	3.7
257.10397	2.4
259.12054	4.8
269.10574	27.6
273.10043	3.3
287.11682	12.6
297.09943	3.2
315.10895	2.1
331.15579	6.0
349.16599	12.3
350.17166	2.5
367.17456	100.0
367.20834	9.4
368.17880	6.5
385.18726	10.7
386.18781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.7
56.96558	37.2
57.03411	6.5
60.04513	7.2
62.06974	3.5
63.52061	3.5
65.80624	3.7
67.05501	22.5
69.07072	13.1
70.06596	4.4
74.26043	3.6
79.05494	17.4
79.93528	3.9
81.07058	19.8
83.08603	6.8
86.09689	7.8
91.05477	14.1
93.07038	14.0
94.98435	3.9
95.04972	7.5
95.08615	8.6
97.06514	5.7
97.10155	6.1
97.96854	5.8
98.97585	8.8
105.07034	11.0
107.01329	8.1
107.04955	4.0
107.08597	10.4
109.06508	4.2
109.10174	5.2
112.07610	9.5
116.98625	5.5
117.06941	5.4
119.08577	6.0
121.10133	5.6
125.09657	7.3
128.10735	12.1
131.08543	10.4
133.10155	7.5
134.99619	4.5
145.10130	3.8
147.11748	4.8
149.09644	6.7
159.03357	4.4
159.11684	5.8
163.11330	4.0
171.03207	6.5
175.11105	3.7
177.12732	4.5
180.13858	5.2
189.04375	5.7
189.11240	5.1
199.06400	7.0
203.05882	4.2
213.08043	11.0
217.07341	4.6
221.00803	7.0
225.08075	4.1
229.07585	4.1
231.09013	18.0
239.09567	7.8
241.11082	8.3
243.09074	7.9
249.00314	4.6
251.09566	8.0
255.08997	24.4
259.12241	8.2
263.01874	7.9
269.10532	39.9
273.10062	17.5
275.20078	11.7
287.11682	13.0
327.52216	4.0
331.15753	4.9
349.17035	13.2
350.23254	7.0
367.17694	100.0
368.24255	19.7
385.18906	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.7
56.96558	37.2
57.03411	6.5
60.04513	7.2
62.06974	3.5
63.52061	3.5
65.80624	3.7
67.05501	22.5
69.07072	13.1
70.06596	4.4
74.26043	3.6
79.05494	17.4
79.93528	3.9
81.07058	19.8
83.08603	6.8
86.09689	7.8
91.05477	14.1
93.07038	14.0
94.98435	3.9
95.04972	7.5
95.08615	8.6
97.06514	5.7
97.10155	6.1
97.96854	5.8
98.97585	8.8
105.07034	11.0
107.01329	8.1
107.04955	4.0
107.08597	10.4
109.06508	4.2
109.10174	5.2
112.07610	9.5
116.98625	5.5
117.06941	5.4
119.08577	6.0
121.10133	5.6
125.09657	7.3
128.10735	12.1
131.08543	10.4
133.10155	7.5
134.99619	4.5
145.10130	3.8
147.11748	4.8
149.09644	6.7
159.03357	4.4
159.11684	5.8
163.11330	4.0
171.03207	6.5
175.11105	3.7
177.12732	4.5
180.13858	5.2
189.04375	5.7
189.11240	5.1
199.06400	7.0
203.05882	4.2
213.08043	11.0
217.07341	4.6
221.00803	7.0
225.08075	4.1
229.07585	4.1
231.09013	18.0
239.09567	7.8
241.11082	8.3
243.09074	7.9
249.00314	4.6
251.09566	8.0
255.08997	24.4
259.12241	8.2
263.01874	7.9
269.10532	39.9
273.10062	17.5
275.20078	11.7
287.11682	13.0
327.52216	4.0
331.15753	4.9
349.17035	13.2
350.23254	7.0
367.17694	100.0
368.24255	19.7
385.18906	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2114
Annotation	Ingol
Peak:m/z	Relative Intensity
52.78998	0.8
53.03947	1.1
55.01859	2.5
55.05509	7.0
57.03431	11.0
57.07074	1.4
59.04991	1.6
61.85643	0.7
65.03937	2.0
67.05497	6.6
69.03425	3.7
69.07056	3.6
70.67334	1.6
71.04990	3.4
73.06543	0.8
79.05489	5.5
81.03422	2.3
81.07047	6.3
83.04972	14.0
83.08591	1.8
85.02902	3.0
85.06562	5.5
85.06972	0.9
87.20840	0.7
91.05482	6.6
93.03393	1.2
93.07032	6.2
95.04967	5.1
95.08102	0.8
95.08588	4.9
97.02882	14.7
97.06487	2.0
97.10175	1.1
99.04444	4.6
99.08102	1.5
103.05445	0.8
105.02057	0.7
105.07027	11.2
107.04939	1.7
107.08588	10.5
109.06515	5.9
109.10148	3.2
111.04431	10.0
111.08088	0.9
115.03882	4.0
117.06999	2.4
119.08569	14.7
121.02827	1.2
121.06518	2.1
121.10136	26.1
121.10989	1.6
122.10416	0.9
123.08064	6.2
125.06004	1.8
125.09634	3.9
128.06233	1.2
129.05469	2.2
129.06987	2.1
131.08583	5.9
133.10117	11.1
135.08084	2.1
135.11684	5.4
137.05952	1.8
137.09621	4.3
139.03883	7.3
142.07799	2.3
143.08556	4.1
145.10120	5.7
147.08070	2.2
147.11668	3.8
149.02339	1.5
149.09607	4.4
149.13275	0.9
150.02650	1.2
151.07518	1.6
151.11182	2.5
155.07095	1.5
155.08514	1.9
156.09340	1.3
157.01073	37.7
157.04985	2.1
157.10089	4.7
159.08047	2.7
159.11700	6.0
160.08649	1.1
161.09625	4.0
161.13269	1.0
163.11203	3.0
165.09052	0.8
165.12825	1.4
167.07074	1.4
168.09340	1.2
169.10097	2.1
171.11649	5.2
173.08354	0.9
173.09584	4.5
173.13208	5.7
175.11177	7.7
175.14789	11.1
177.12743	5.4
179.08655	1.1
179.10509	0.9
181.08633	2.0
181.10103	1.6
182.10959	1.1
183.11720	3.7
185.09592	1.2
185.13255	3.1
186.10347	1.0
187.11189	6.5
187.14816	2.4
189.12744	1.8
191.14299	2.3
193.04895	1.0
193.15868	23.1
195.11708	1.8
196.12476	1.6
197.09695	0.9
197.13264	3.0
199.11150	2.7
199.14874	2.5
201.12666	4.1
203.10638	1.4
203.14317	3.0
209.13316	1.6
211.14769	4.9
213.12729	1.4
215.10803	1.3
215.14284	6.0
217.15918	0.9
219.13812	1.3
221.13277	2.2
223.14825	1.9
225.12784	1.2
225.16318	1.3
227.10506	1.4
227.14307	1.2
229.15865	4.6
233.11522	7.9
233.15288	7.9
235.14845	1.0
239.14452	1.3
241.15904	1.8
243.17520	0.9
245.11751	3.1
245.15370	0.9
247.17030	1.4
249.16443	1.9
251.12526	30.8
252.12823	1.7
253.15901	3.5
257.15353	2.5
259.13321	1.4
263.12683	1.0
267.17395	2.3
269.12329	1.5
271.13577	0.8
271.16998	3.3
273.14871	3.0
275.16614	0.8
275.19980	2.0
285.18521	1.7
289.17902	2.9
291.82623	0.9
295.17044	2.3
307.19031	3.3
313.17960	6.6
331.19019	16.7
332.19360	1.0
349.12793	3.4
349.20053	43.7
350.20404	3.4
357.12570	0.9
367.13632	100.0
367.20773	45.5
368.13962	6.6
368.21310	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.8
55.01868	16.7
55.05509	36.2
57.03428	11.4
57.07066	2.5
57.33799	2.6
65.03921	3.2
67.05501	72.0
68.05802	2.7
69.03431	5.6
69.07065	33.3
71.04989	6.3
79.05488	60.1
81.03416	7.3
81.07051	100.0
82.07392	3.3
83.04986	13.1
83.08615	17.0
85.02904	2.4
85.06544	4.1
91.05473	50.1
93.07036	50.8
95.04966	21.6
95.08601	45.1
97.06518	21.9
97.10159	6.8
105.04503	5.5
105.07019	57.6
107.01324	6.6
107.04946	19.9
107.08584	42.7
109.06538	12.7
109.10149	22.7
110.82802	2.5
111.08035	4.2
117.06971	17.8
119.08566	38.1
120.56206	2.6
121.06496	10.2
121.10129	21.5
123.08065	10.9
123.11664	18.0
125.09647	8.7
129.06996	5.9
131.08569	25.1
133.10109	34.7
135.08064	11.6
135.11691	14.0
137.09625	7.6
143.08577	6.8
145.10124	26.2
147.07950	3.6
147.11674	27.1
149.09596	27.1
149.13258	8.0
151.11208	8.3
153.09149	3.0
157.10129	7.8
159.11714	15.6
161.03409	3.2
161.09647	3.7
161.13286	6.6
163.11169	10.6
163.14911	2.7
165.12749	4.9
171.11682	6.3
173.13264	9.9
175.11227	3.5
177.12767	6.5
179.14270	3.9
183.11684	3.5
187.11157	3.0
189.11237	5.6
197.13274	4.8
201.12688	2.8
201.16264	2.7
221.00795	4.4
229.19493	7.0
239.17947	4.5
247.20633	11.0
251.19936	2.7
257.18921	14.1
263.01907	3.6
269.17499	4.6
275.20062	91.9
276.20349	5.1
287.05630	3.7
293.20996	5.3
315.19470	4.4
333.20474	2.5
349.23721	24.2
367.24677	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.8
55.01868	16.7
55.05509	36.2
57.03428	11.4
57.07066	2.5
57.33799	2.6
65.03921	3.2
67.05501	72.0
68.05802	2.7
69.03431	5.6
69.07065	33.3
71.04989	6.3
79.05488	60.1
81.03416	7.3
81.07051	100.0
82.07392	3.3
83.04986	13.1
83.08615	17.0
85.02904	2.4
85.06544	4.1
91.05473	50.1
93.07036	50.8
95.04966	21.6
95.08601	45.1
97.06518	21.9
97.10159	6.8
105.04503	5.5
105.07019	57.6
107.01324	6.6
107.04946	19.9
107.08584	42.7
109.06538	12.7
109.10149	22.7
110.82802	2.5
111.08035	4.2
117.06971	17.8
119.08566	38.1
120.56206	2.6
121.06496	10.2
121.10129	21.5
123.08065	10.9
123.11664	18.0
125.09647	8.7
129.06996	5.9
131.08569	25.1
133.10109	34.7
135.08064	11.6
135.11691	14.0
137.09625	7.6
143.08577	6.8
145.10124	26.2
147.07950	3.6
147.11674	27.1
149.09596	27.1
149.13258	8.0
151.11208	8.3
153.09149	3.0
157.10129	7.8
159.11714	15.6
161.03409	3.2
161.09647	3.7
161.13286	6.6
163.11169	10.6
163.14911	2.7
165.12749	4.9
171.11682	6.3
173.13264	9.9
175.11227	3.5
177.12767	6.5
179.14270	3.9
183.11684	3.5
187.11157	3.0
189.11237	5.6
197.13274	4.8
201.12688	2.8
201.16264	2.7
221.00795	4.4
229.19493	7.0
239.17947	4.5
247.20633	11.0
251.19936	2.7
257.18921	14.1
263.01907	3.6
269.17499	4.6
275.20062	91.9
276.20349	5.1
287.05630	3.7
293.20996	5.3
315.19470	4.4
333.20474	2.5
349.23721	24.2
367.24677	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.9
55.05513	54.3
57.03430	7.5
57.53669	3.8
67.05161	5.1
67.05502	56.8
69.03421	5.0
69.07054	19.9
71.04989	5.2
78.00050	3.4
79.05492	100.0
81.07054	49.3
83.04977	21.4
83.08610	14.3
83.15868	3.4
91.05482	47.9
93.07051	65.3
95.04957	12.1
95.08606	21.9
95.20503	4.0
97.06536	21.6
97.10161	22.2
98.22692	8.6
105.04511	5.4
105.07031	59.3
107.04945	29.7
107.08592	61.2
109.06511	5.7
109.10161	22.3
111.08048	8.4
117.07022	11.5
119.08591	39.2
121.06541	4.9
121.10136	21.1
123.08085	5.6
123.11673	9.4
125.09642	31.2
129.07021	6.4
131.08568	21.5
133.10153	27.3
135.08046	6.5
135.11673	8.3
137.09660	3.9
143.08607	6.6
145.10127	12.8
147.08011	3.7
147.11673	17.0
149.09627	67.7
159.11684	11.0
161.03499	13.7
161.13240	10.4
163.11220	5.9
169.12268	5.3
173.13208	9.1
179.14296	5.8
189.11205	22.2
205.01396	4.2
209.15450	8.7
218.00848	3.9
221.00812	4.3
227.12709	12.0
229.19493	12.1
231.03957	7.4
245.13887	10.7
247.20488	4.0
257.18976	15.1
263.02762	5.6
275.20065	81.5
321.08646	11.5
349.08029	13.3
349.23770	38.1
367.09467	8.6
368.31491	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.3
55.18872	4.1
57.03429	13.7
57.07071	6.8
65.03928	4.9
66.00956	4.9
67.05504	37.9
69.07063	18.6
69.56892	21.7
71.08632	8.3
79.05486	28.7
81.07053	37.0
81.45812	4.4
83.04989	7.0
83.08624	7.6
85.06532	10.3
87.08126	4.7
91.05459	33.6
93.07045	36.5
94.32121	4.4
95.04964	7.0
95.08592	19.2
97.06544	7.8
97.10172	5.9
99.08110	5.7
105.07010	19.6
107.08598	19.9
109.10167	7.4
111.08054	10.6
111.11761	4.2
112.42284	3.8
117.07038	22.5
119.08611	22.0
121.06582	5.8
121.10130	17.0
123.11698	6.4
124.91171	4.3
131.08574	16.6
133.10135	19.5
135.08095	5.6
135.11707	8.0
137.09651	4.9
143.08542	6.7
145.10118	14.3
146.34885	4.4
147.11700	8.9
149.09584	7.9
157.98979	5.0
159.11702	7.8
173.13229	5.3
201.16481	9.6
203.14252	7.9
219.17447	100.0
219.19496	9.1
220.17746	8.6
223.20598	8.1
241.69905	5.0
247.20404	5.2
257.19025	4.8
275.20331	21.8
275.22787	6.4
280.13004	4.7
293.21051	15.8
321.08682	4.9
349.23676	13.3
350.26950	15.6
367.24738	10.5
368.31274	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.05508	31.4
57.07067	12.2
65.03935	5.7
67.05505	43.2
69.03427	9.9
69.07069	24.4
69.67992	11.5
70.38423	2.9
71.04984	6.8
77.76153	3.0
78.86610	2.9
79.05498	40.3
81.07049	50.2
83.04971	4.1
83.08623	8.1
85.06530	4.1
91.05473	64.1
93.07046	77.9
95.04955	44.3
95.08599	57.4
97.06546	8.9
105.04545	4.1
105.07024	100.0
107.04974	4.2
107.08591	62.8
109.06506	14.1
109.10136	36.3
111.08078	6.8
115.05444	6.8
116.06223	5.9
117.07027	21.5
119.08576	96.4
120.96825	3.4
121.06517	9.0
121.10123	44.8
123.08074	9.9
123.11681	10.2
128.06232	13.3
129.06979	16.8
130.07768	9.0
130.31268	3.6
131.08553	59.6
133.06514	5.2
133.07570	3.4
133.10121	58.5
135.08049	13.6
135.11656	22.1
137.09642	4.0
141.06984	8.4
142.07768	18.2
143.08559	38.8
144.09346	11.7
145.10104	55.3
146.07326	5.3
147.08047	11.3
147.11693	21.7
149.09630	15.4
154.07776	4.3
155.08575	12.9
156.09364	19.4
157.10114	53.8
158.07503	3.2
158.10922	5.8
159.08069	6.7
159.11662	40.7
161.09619	37.5
161.13243	7.6
165.07025	6.0
167.08575	9.6
168.09317	3.5
169.10080	21.0
170.10930	4.1
171.11667	29.6
172.12413	6.8
173.09639	8.1
173.13251	23.5
175.11145	7.0
175.14888	17.8
179.08504	8.9
179.14264	4.2
180.09369	5.0
181.10065	13.5
182.10890	3.7
183.11693	19.8
184.12422	5.2
185.09579	5.7
185.13245	16.5
187.14841	11.1
189.12866	4.2
193.10146	4.1
194.10835	6.2
195.11703	16.0
196.12363	4.1
197.13263	15.6
199.14822	9.4
201.16368	7.4
207.11621	5.8
208.12360	3.1
209.13312	18.4
211.14848	8.9
221.13289	4.5
225.12846	3.6
225.16434	4.5
227.14322	11.7
239.18021	7.5
257.19241	3.8
259.65225	3.3
265.19598	5.3
321.08517	4.5
331.26465	3.8
349.07697	6.9
349.27283	5.7
367.26370	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	367.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
57.07066	9.4
60.08173	3.7
67.05496	22.3
69.03432	3.8
69.07059	27.0
69.68636	13.2
71.05000	5.0
71.08624	27.4
79.05485	14.5
81.07049	31.2
83.08621	9.3
85.06515	3.8
86.06079	12.6
89.66171	3.3
91.05460	21.1
92.05775	3.6
93.07050	26.0
94.38943	3.2
95.04969	11.0
95.08599	29.3
97.06531	7.9
99.08090	23.6
105.07023	18.9
107.08612	15.2
109.06512	36.4
109.10151	10.4
117.06975	3.7
119.08559	16.4
121.06550	11.6
121.10152	11.2
123.08057	6.6
123.11700	5.2
131.08557	4.5
131.66022	3.0
133.10121	11.1
135.08095	6.9
135.11694	9.0
137.13249	3.4
139.11212	6.7
145.10103	10.3
147.11665	6.8
149.09593	3.5
149.13321	4.5
161.13232	7.8
163.11214	7.6
163.89589	3.1
165.12741	58.3
177.12794	4.8
183.11681	4.9
209.18991	16.9
237.18443	5.7
289.25171	22.0
307.26413	8.2
317.24728	100.0
335.25778	28.9
349.27359	65.7
368.42548	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	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.05513	13.6
57.07071	4.2
57.89678	1.1
67.05164	1.1
67.05504	16.2
68.52036	1.1
69.06708	1.5
69.07068	20.9
69.50131	4.6
71.04985	2.1
71.08630	13.3
79.05503	6.8
81.07056	21.5
82.07371	1.3
83.04962	2.9
83.08610	7.8
85.02895	1.1
85.06540	2.7
91.05472	6.6
93.07056	9.8
95.04977	1.1
95.08604	22.1
96.08911	1.3
97.06523	4.1
97.10165	2.3
98.22744	1.9
99.04440	1.7
99.08078	13.7
105.07029	5.2
107.08591	10.7
108.44332	0.8
109.06528	7.8
109.10157	9.0
111.04455	2.0
111.08070	2.9
119.08570	6.9
121.06512	1.8
121.10160	6.3
123.08070	26.7
123.11710	3.4
125.06016	1.8
125.09622	1.7
131.08504	1.5
133.10130	8.5
134.81485	0.9
135.08072	5.9
135.11685	4.8
137.09604	2.2
137.13251	3.4
145.10153	2.7
147.11699	3.4
149.09566	2.3
149.13274	2.6
150.96324	1.0
151.11140	1.7
151.14764	1.3
153.12715	6.2
156.49677	0.9
159.11693	2.4
161.13312	1.1
163.11276	2.2
163.14835	1.9
165.12697	2.0
165.16396	1.2
167.14262	1.2
173.13271	1.3
175.14781	1.6
177.12685	1.4
179.14304	31.4
180.14771	1.1
181.12076	1.0
189.16371	2.5
191.14331	2.0
193.15868	2.4
219.17395	1.1
239.45717	1.0
251.20042	11.2
275.19995	1.5
293.21066	12.2
293.28403	5.1
303.26855	13.6
308.26489	5.7
313.25266	1.3
321.27884	5.5
331.26303	40.9
331.30280	2.0
332.26730	1.7
344.31317	0.9
349.27353	100.0
350.27734	6.2
367.29065	4.5
367.33630	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	368.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46012	0.4
53.03932	0.5
57.03413	1.8
61.02923	2.5
69.03427	6.5
70.03722	0.4
71.04971	0.5
71.42555	0.5
73.02890	2.1
81.03414	2.7
85.02496	0.6
85.02903	7.6
87.04440	1.4
91.05451	0.8
93.64831	0.5
97.02886	3.7
99.04452	0.9
109.02864	1.2
115.05409	0.6
117.04478	1.6
117.07038	0.7
121.06448	0.7
123.08044	0.6
127.03872	1.4
134.00569	4.2
136.07574	0.7
144.05579	0.5
145.06474	1.1
151.03238	2.8
152.01682	0.5
160.02190	2.7
161.01675	22.7
162.02284	0.8
163.03372	0.5
163.07571	2.3
177.05495	0.6
179.02695	1.9
188.02760	52.9
189.03467	3.9
189.05093	0.7
190.04135	0.7
206.03819	98.8
207.04121	3.2
207.06129	0.5
238.13319	1.5
239.13715	3.3
248.04839	3.0
308.07007	1.8
350.08127	1.0
351.15332	1.1
368.09088	100.0
368.18405	2.2
369.09305	9.7
369.14941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05512	12.4
58.99575	1.6
69.03444	1.0
69.07066	2.5
69.27324	6.0
73.54874	1.1
76.02223	2.9
83.04977	100.0
84.05316	3.4
86.99050	1.3
88.02187	4.8
88.04006	2.5
91.05484	3.3
93.07031	4.0
95.04950	1.3
97.06528	3.7
98.23486	1.3
100.02194	1.5
105.00092	2.3
105.04496	0.9
105.07024	22.0
115.05531	0.9
117.07035	2.1
119.08616	1.0
121.06502	22.4
122.01922	0.7
122.02725	20.2
128.06192	1.9
133.06490	35.2
134.02701	1.4
134.06859	2.6
135.04408	2.4
135.08049	6.2
137.04179	11.2
139.07472	1.0
141.07024	1.0
143.08578	1.2
145.06470	10.9
146.02734	1.5
146.06804	1.4
147.02585	1.3
147.08046	3.4
147.47473	1.0
150.01352	4.5
152.06244	1.2
157.89659	1.1
159.08022	3.7
161.05945	6.3
162.06317	1.8
165.02284	1.8
165.03699	35.3
172.08678	1.2
173.05994	5.0
173.09540	2.3
174.06599	2.1
177.56219	1.1
181.06421	1.0
182.06935	0.9
182.45837	0.9
182.81204	1.0
186.10435	2.1
187.07552	2.7
187.11136	4.8
188.11386	1.3
191.05322	1.1
191.07025	1.0
193.10103	1.2
196.08812	4.2
197.09404	3.4
198.10013	2.6
199.11212	5.8
201.12735	5.8
202.13084	1.7
211.11179	25.1
212.11517	7.1
213.12386	2.0
215.10681	5.3
216.10992	10.0
228.99706	1.3
229.12234	46.5
230.12567	9.2
243.08376	2.8
247.13248	10.9
254.08469	7.1
277.03903	0.9
279.10623	1.2
304.63397	1.1
332.13000	6.0
350.14279	2.6
356.24713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01867	1.5
55.05503	12.4
57.03447	0.9
61.02916	1.5
67.05495	3.2
68.70480	0.7
69.03430	5.8
69.07047	1.4
69.07366	2.9
69.07778	2.6
79.05478	2.8
81.07053	3.1
83.04955	1.6
83.08612	9.3
85.02898	10.7
93.07008	0.8
97.02888	3.8
97.10166	22.8
107.08567	4.9
109.02895	1.8
125.08700	1.4
125.09620	25.9
126.10012	1.2
127.03892	2.2
135.08026	2.5
143.10703	2.1
145.04921	3.7
150.11676	0.6
153.09071	1.3
162.07607	1.2
171.10150	9.0
172.42455	0.7
180.08664	3.1
189.11208	100.0
190.11571	2.7
206.13898	0.9
318.97650	0.8
369.11151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.25854	0.6
55.01878	1.3
55.05260	0.9
55.05508	12.3
55.76940	0.5
57.03413	0.9
61.02916	1.8
67.05500	3.0
69.03419	3.9
69.07059	1.6
70.51182	1.1
73.02946	0.8
79.05481	2.3
81.03405	1.7
81.07039	2.4
83.04980	1.7
83.08618	10.2
85.02905	10.0
85.06538	0.6
88.04006	0.6
88.09629	0.5
91.05486	0.5
93.07020	1.1
97.02889	4.0
97.10165	24.4
99.04427	0.6
101.09650	0.6
102.57748	0.6
105.06991	0.7
105.60367	0.5
107.08604	4.4
109.02874	1.6
109.10148	0.6
125.09628	25.2
126.09962	0.6
127.03913	1.9
135.08029	1.7
143.10698	1.6
145.04936	1.5
153.09106	1.5
159.08003	0.5
162.07603	1.3
171.10118	6.9
180.08669	3.3
189.11209	100.0
190.11588	3.4
206.13916	1.5
209.47162	0.6
368.14868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32232	4.7
55.01869	5.3
55.05495	9.2
58.89954	4.1
59.24325	4.7
61.02917	5.8
67.05492	5.9
69.03419	15.7
69.07063	66.3
73.06544	6.8
73.56211	4.5
73.88081	4.3
74.12759	4.2
79.05476	7.6
81.07049	21.2
83.08602	13.7
84.08076	4.7
85.02915	25.0
91.05471	7.9
93.07040	17.0
95.06102	5.0
95.08606	24.2
97.02924	6.3
105.01836	6.5
107.08632	11.4
109.02882	6.0
109.10170	7.6
111.11719	40.8
117.03355	7.6
119.04945	9.4
125.13291	6.1
127.03928	5.8
133.11237	4.8
135.11691	22.4
145.02858	20.1
147.04405	30.9
153.12723	96.0
163.07524	10.9
167.07021	15.1
171.13795	100.0
171.15164	8.3
172.14149	5.2
175.03943	7.2
177.05484	22.1
189.05417	11.2
189.14833	14.7
207.06487	12.2
215.07133	6.5
323.54544	4.9
328.18689	5.0
333.55646	4.8
353.13345	5.3
368.21936	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	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49039	4.6
55.01873	4.5
55.05509	13.6
57.07067	5.1
67.05493	5.2
69.03408	15.6
69.07061	69.6
70.79138	5.5
72.50626	4.1
79.05495	5.8
81.03405	8.8
81.06633	4.9
81.07035	26.3
83.04977	5.5
83.08599	15.8
85.02890	29.1
85.06551	4.5
87.00829	5.9
89.03875	6.6
91.05482	14.4
93.07034	20.6
95.08600	18.4
97.02864	8.2
97.06515	11.6
105.01830	4.8
105.06992	10.6
107.08581	16.2
109.02853	9.6
109.10137	11.2
111.11716	34.9
115.05439	5.6
117.03399	11.7
119.04905	17.8
123.04374	5.8
135.08047	7.8
135.11662	16.5
145.02802	22.3
147.04393	35.2
149.05963	6.1
153.11575	9.4
153.12732	94.3
163.07536	12.9
167.07047	24.6
171.13785	100.0
175.03877	6.6
177.05473	36.5
181.04840	6.0
189.05486	26.3
189.14821	15.9
193.08630	7.3
204.37405	4.8
207.06525	14.1
215.07002	13.0
230.42708	5.3
245.11838	4.9
289.14197	6.4
368.21680	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	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.5
57.03432	17.6
59.76628	3.1
67.05509	5.9
69.07061	38.7
69.98509	12.5
71.05000	4.2
73.49620	3.1
79.05505	13.5
81.07050	25.9
83.04970	5.5
91.05477	5.3
93.07059	12.6
95.04978	4.8
95.08604	20.4
97.06529	51.8
98.23282	5.3
99.04472	4.1
105.07054	11.6
107.04977	13.9
107.08616	14.2
109.06508	7.8
109.10148	23.7
119.08577	17.9
121.06491	4.3
121.10169	11.0
122.01412	3.9
123.08056	16.8
123.11729	9.8
125.05943	6.3
125.09631	27.8
131.08556	6.2
133.10117	20.4
135.08095	15.5
135.11710	5.5
137.09624	7.7
143.08650	5.4
145.10202	10.1
147.07990	5.9
147.11728	11.7
149.09662	8.3
149.13248	4.6
151.11151	23.3
153.09128	5.5
157.10167	12.3
159.11699	5.9
161.09590	35.7
163.11166	7.8
163.14900	4.5
165.09135	5.2
165.12764	5.8
169.10201	4.3
171.11722	8.6
173.09708	10.2
173.13313	16.0
175.11229	10.9
179.10669	18.7
181.08650	5.5
183.11768	5.0
185.13300	13.7
187.11197	9.8
187.14839	4.9
189.12784	13.9
191.10721	5.2
191.14273	40.4
197.13335	8.7
199.11264	5.4
201.12782	10.0
205.12186	5.7
207.13861	16.4
213.12794	13.9
215.14354	5.8
217.12260	12.2
217.15974	3.7
218.13120	11.6
219.13817	29.5
225.16469	4.8
227.14330	4.2
231.13882	7.7
235.13206	17.7
241.15872	7.9
243.17410	7.3
245.15515	5.9
253.14157	7.0
259.16937	10.8
269.10602	5.8
269.19016	6.2
271.16974	13.3
287.20203	8.8
289.17926	39.6
297.18539	11.3
307.18961	39.9
315.19516	71.2
316.20038	8.0
333.20557	100.0
334.20975	7.5
351.21710	39.7
352.22229	6.0
368.24512	4.5
369.23801	4.4
378.38361	4.1
387.20465	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	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79210	14.1
63.33574	12.9
63.37152	12.9
69.87074	30.9
69.87405	18.2
73.63206	12.6
74.19671	14.6
81.03419	44.8
81.07040	12.6
95.04955	44.8
119.08551	22.7
133.10155	19.9
134.73601	15.0
137.05991	25.0
145.10208	18.8
152.17378	14.5
163.11165	19.1
269.18878	17.6
297.18552	33.2
315.19479	31.8
333.20587	100.0
369.07901	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	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
53.83849	0.9
55.05500	4.3
57.03435	7.7
57.07062	1.3
65.03937	1.3
67.05492	11.5
69.03416	5.2
69.07050	3.2
71.04979	2.4
78.91400	1.0
79.05477	4.9
81.03403	27.5
81.07038	7.7
83.04954	2.4
83.08595	1.4
84.09565	0.9
85.06530	1.2
91.05473	6.2
93.07021	7.7
95.04958	40.2
95.08600	7.9
97.06534	2.4
98.23513	2.0
99.08063	1.4
105.07011	9.2
107.04941	2.7
107.08566	10.1
109.06488	8.0
109.10140	4.6
111.04401	1.5
113.06017	2.6
117.07014	3.0
119.08571	13.6
121.06491	8.4
121.10120	18.1
123.04410	4.9
123.08049	7.1
123.11651	1.9
124.03956	2.0
125.09599	2.0
128.06271	1.3
129.06990	3.1
131.04941	2.3
131.08534	7.8
133.06445	2.6
133.10127	12.5
135.08011	10.8
135.11668	8.0
137.05890	1.3
137.09598	4.2
141.06920	1.4
142.07739	2.5
143.08563	4.7
145.06453	12.4
145.10101	11.3
147.08034	5.0
147.11688	7.0
149.09602	7.2
149.13231	2.3
151.07481	2.3
151.11127	1.5
155.08557	1.4
156.09319	3.1
157.10097	8.7
158.86598	1.0
159.08041	3.7
159.11671	11.1
160.12212	1.1
161.09613	9.2
161.13252	2.4
163.11163	27.2
164.11455	1.3
165.07079	1.2
165.12724	1.8
169.10158	4.7
170.10808	2.5
171.08105	1.9
171.11638	8.3
173.09616	5.1
173.13232	12.5
175.11154	4.2
175.14784	11.5
176.11829	1.0
177.09106	3.1
177.12770	6.0
180.09306	1.1
181.10048	3.2
181.12029	1.1
182.11006	1.6
183.08153	1.1
183.11633	5.5
184.12512	1.1
185.09576	4.9
185.13197	6.8
187.11162	4.2
187.14801	3.7
189.12808	5.0
191.14235	2.2
193.15904	10.3
195.11646	4.3
196.12346	1.8
197.09517	1.8
197.13248	6.6
199.11125	5.7
199.14781	1.6
201.12753	5.7
201.16325	1.0
203.10603	1.8
203.14267	8.9
207.13837	1.5
209.13190	2.0
210.14067	2.8
211.11140	3.0
211.14751	3.5
213.12764	4.5
213.16333	2.3
215.14279	5.8
217.12100	1.9
219.13773	1.4
221.15327	6.1
223.11249	1.8
223.14787	2.9
225.12730	2.8
225.16293	3.9
227.10690	1.2
227.14246	3.8
229.15930	6.6
235.14841	2.1
238.13506	1.3
239.14299	2.1
241.15860	7.0
243.13809	1.5
243.17480	1.8
245.88004	1.1
251.14268	1.3
251.17976	1.6
253.15776	3.4
255.17374	1.8
257.15387	2.3
259.16864	8.6
261.16364	1.5
269.18976	11.5
271.16797	5.1
273.18323	2.0
279.17368	4.2
285.18393	2.0
287.20001	3.8
297.18451	44.5
298.18710	2.6
307.19055	1.3
315.19510	56.8
316.19864	3.1
325.19995	3.2
332.18622	1.5
333.20554	100.0
334.20935	6.2
350.23270	1.8
368.20267	1.7
368.24564	15.9
369.24612	1.6
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
55.05508	8.1
64.64521	2.2
67.05495	5.9
69.07065	10.5
69.23960	13.1
79.05487	6.0
81.07049	21.2
83.08629	5.7
85.06539	6.3
91.05452	4.1
93.07057	6.5
95.08608	20.3
97.06525	4.4
97.10184	4.3
101.40261	2.2
102.43809	1.9
105.06998	12.9
107.08598	13.9
109.10138	13.8
111.08070	6.5
119.08566	24.4
121.10149	9.8
123.11680	4.7
125.09615	2.7
131.08571	6.3
133.10155	10.8
135.11728	5.0
141.54666	2.5
143.08536	4.2
145.10101	10.6
147.11639	14.7
149.13266	9.6
150.13451	2.1
151.11192	2.3
155.08594	2.7
157.10095	3.4
159.11681	24.1
161.13245	12.8
163.14857	4.5
165.11000	2.3
171.11722	3.2
173.13260	52.7
175.14844	12.8
176.15582	2.4
185.13257	3.0
187.14830	6.0
193.12245	3.9
199.14754	11.6
205.12227	4.3
213.16530	3.6
221.15352	4.6
227.17903	3.4
229.19516	54.8
229.38576	2.3
230.19853	2.8
239.17924	7.2
245.22696	5.5
255.21092	20.2
257.18997	24.9
258.19446	2.8
273.22128	39.3
274.22464	3.9
275.20078	100.0
276.20374	5.1
277.21552	2.5
301.21597	15.0
368.31491	3.4
368.42447	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	369.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10067	0.4
55.49742	0.5
63.02373	0.6
64.04184	0.5
65.41415	0.5
69.03413	1.3
70.06573	0.8
70.07470	1.6
81.03415	1.4
81.07072	0.7
85.02890	1.0
89.03906	10.4
89.53120	0.5
91.05491	0.6
104.57154	0.5
106.04140	0.9
106.59105	0.5
109.02902	0.7
111.00736	0.5
117.03375	29.8
118.03692	1.0
122.85242	0.5
129.01913	0.5
134.03633	2.3
135.04391	1.9
145.02841	64.6
146.03175	1.9
147.04329	0.8
149.05969	8.5
150.06422	0.5
152.07074	2.0
163.03870	0.9
177.05466	100.0
178.05794	3.5
181.04881	0.5
186.05469	0.6
248.09207	2.0
366.57202	0.6
369.08194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38766	0.4
53.03923	0.4
55.01868	4.1
57.03450	0.5
63.02383	0.8
69.03432	0.9
70.06585	0.5
70.55298	0.6
78.04695	1.0
82.07333	0.4
85.02898	1.1
86.19485	0.4
89.03911	13.7
91.05495	2.4
91.05987	0.5
97.02920	0.8
103.05473	0.6
106.04166	1.3
111.00856	1.0
115.03909	0.4
117.03374	36.4
118.03693	1.0
119.04955	3.1
121.06496	0.6
129.01808	1.0
134.03651	2.1
135.04401	3.8
140.01785	0.5
143.03380	2.0
145.02841	73.7
146.03157	2.1
147.04424	3.1
149.05962	11.1
150.06284	0.4
163.03911	7.3
171.02852	0.5
175.03880	2.7
177.05463	100.0
178.05783	3.4
181.04936	1.7
186.05450	0.7
197.21001	0.5
207.06493	5.2
249.28653	0.5
322.20264	0.4
369.08261	2.2
369.15170	12.7
370.15002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26105	1.8
62.21046	1.6
69.03433	2.2
70.79148	1.9
77.35326	1.4
78.30280	1.7
85.02910	3.5
89.03910	11.2
89.29562	1.7
91.05479	3.9
96.76719	1.5
102.03510	1.7
110.07141	1.9
117.03368	34.0
118.06519	4.1
119.04958	4.8
134.03612	2.8
145.02835	59.5
146.03217	2.8
146.05983	8.4
147.04454	4.1
149.05965	6.6
151.89491	2.0
163.03815	2.0
163.07535	4.1
175.03873	4.9
177.05458	100.0
178.05836	4.7
179.03378	3.9
182.08051	4.9
188.07080	7.2
207.06567	11.9
369.09412	53.7
369.15042	17.3
370.09747	4.0
370.14404	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41006	0.4
50.94876	0.4
52.74079	0.4
66.85844	0.4
69.54281	1.6
83.51430	0.5
86.12302	0.4
95.29375	0.4
98.22820	0.8
106.57941	0.4
178.76938	0.4
185.04240	0.8
189.05289	0.9
203.05264	5.6
207.06325	1.2
210.57755	0.4
267.93109	0.4
278.79309	0.4
293.96048	0.5
299.10983	0.5
369.11551	100.0
370.11923	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	369.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63155	2.5
101.97276	0.7
118.96014	0.6
120.32168	0.6
128.32278	0.6
168.74075	0.7
185.04248	1.6
189.05220	8.6
203.05272	2.6
207.06285	1.1
351.10431	7.3
369.11542	100.0
370.11905	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	369.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53448	0.3
69.07626	0.3
69.49306	1.4
89.03922	0.3
96.41628	0.3
98.23473	0.6
117.03351	0.8
145.02844	2.8
149.05948	0.7
164.34348	0.4
177.05452	4.4
185.04153	0.6
189.05235	1.1
203.05254	5.7
207.06268	1.3
216.79964	0.3
229.90973	0.3
369.11536	100.0
370.11917	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	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32373	0.5
58.06590	0.8
61.42471	0.5
69.42477	2.7
77.25842	0.5
86.62846	0.6
101.00859	0.7
119.01910	0.9
120.25035	0.5
124.46271	0.5
125.25121	0.5
127.01940	0.5
163.02026	0.7
174.04436	0.7
179.00705	1.3
179.58138	0.6
202.09285	0.9
203.05309	3.0
207.06297	0.6
219.02010	1.3
220.02284	0.6
221.01880	1.9
226.09271	1.3
227.09473	1.4
244.10338	2.1
245.10504	1.9
261.03085	2.5
262.03296	1.5
263.02884	6.1
264.02902	0.8
270.06668	0.8
328.05438	0.7
344.70642	0.5
369.11536	100.0
370.11902	6.1
387.11380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
54.55762	0.8
65.78660	1.1
67.05507	1.0
69.03434	1.3
69.38336	4.8
84.08137	1.9
85.02892	1.6
86.39890	1.0
89.03912	7.8
93.07035	1.5
105.07032	1.3
117.03368	25.0
123.08065	3.3
128.02802	1.0
134.03590	2.0
135.04422	2.2
142.66548	0.9
145.02837	57.4
146.03188	1.6
149.05956	9.2
149.07033	1.1
151.07545	3.1
156.06563	1.0
163.03973	1.0
168.10223	1.6
177.05458	100.0
178.05815	3.5
181.04945	2.2
189.09120	1.0
189.12772	3.2
191.06790	1.8
201.03688	2.7
203.05301	3.0
207.06390	1.8
207.13828	1.2
219.04770	8.5
237.38957	0.9
237.41451	0.9
351.10526	7.1
369.11490	23.2
369.15457	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	369.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.9
57.07064	5.2
60.04519	1.0
62.79109	0.6
66.83807	0.5
67.05499	0.8
69.07056	1.8
69.17651	1.0
69.18067	3.0
72.04523	0.9
79.05476	1.2
81.07040	1.4
83.04980	2.7
83.08607	1.3
85.06531	1.7
91.05466	7.8
93.07041	2.3
95.04960	1.3
95.08621	1.5
97.02909	1.5
98.09729	0.7
98.22703	1.5
100.11249	5.1
105.07021	10.9
107.04926	0.8
107.59597	0.7
111.04384	0.9
115.05418	0.9
117.07035	3.4
119.04916	0.6
119.08572	37.8
120.08846	1.1
121.06496	11.2
123.07981	0.8
128.06236	2.0
129.06972	3.7
131.08559	0.8
132.05692	1.7
133.06453	3.3
133.10092	0.9
142.07756	1.9
142.12238	2.9
143.08534	4.4
145.06480	2.5
145.10162	0.8
147.08035	100.0
148.08397	3.4
156.09392	0.8
157.10104	4.4
158.07256	3.8
159.08022	1.9
159.11635	0.7
159.14922	1.8
161.05960	2.4
161.09593	2.2
165.07040	2.0
171.08046	4.3
172.08826	0.8
174.06789	1.2
175.07530	17.6
176.08031	0.7
179.08488	0.7
180.09329	1.8
182.15387	5.0
183.08023	4.2
183.15694	0.8
184.08841	0.8
185.09555	1.8
185.13251	3.8
187.11188	1.7
189.12767	2.0
197.09607	1.7
198.10384	8.5
199.11179	4.2
201.12756	1.0
203.14325	9.8
210.14876	3.6
211.15323	1.0
213.12720	52.9
214.13094	2.0
217.12170	0.9
231.13777	36.7
232.14107	1.9
269.18579	2.0
330.00906	0.7
368.29089	3.0
369.13889	1.3
369.22321	1.3
369.29367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1515
Annotation	Drosopterin
Peak:m/z	Relative Intensity
52.09995	0.4
63.13829	0.4
66.68107	0.4
79.05495	1.0
81.07058	0.7
89.03905	0.7
91.05471	0.9
93.07043	0.5
105.07070	0.5
107.08620	0.5
117.03354	2.3
119.01889	1.1
119.04958	0.6
126.01091	0.8
127.01402	0.9
128.00728	0.9
143.01895	0.9
145.02855	4.5
149.05984	0.8
161.02963	1.6
167.07051	0.9
175.03868	1.0
177.05460	7.0
179.84200	0.5
181.04901	0.8
185.04126	2.7
203.05284	3.8
207.06668	1.3
207.09901	30.8
208.10413	1.0
323.11063	0.6
324.10361	1.1
325.12610	0.5
341.06558	0.8
369.15173	100.0
370.11240	0.7
370.15558	4.6
370.26920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01863	2.6
57.03434	18.8
61.02924	13.9
62.37311	1.6
69.03425	34.7
70.57169	2.8
71.01342	3.2
71.04984	1.9
71.71534	1.9
73.02918	38.6
81.03395	5.4
85.02902	100.0
87.04469	4.2
91.03950	3.3
97.02894	46.5
99.04443	4.1
101.04482	1.9
109.02877	6.6
115.03941	24.3
127.03916	24.9
133.04979	8.5
134.80237	1.6
145.04944	43.3
154.80824	1.8
159.77695	1.5
163.06032	18.6
241.06989	1.8
302.13370	1.8
369.15192	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06712	0.8
58.06594	8.8
63.70190	0.8
71.58983	0.7
72.08147	1.6
79.44025	0.8
84.08113	4.8
86.64751	0.8
96.20023	0.8
98.09686	1.9
100.11246	3.6
144.10208	1.0
167.09543	0.8
182.05756	0.7
184.08157	8.4
200.11371	1.0
202.09236	36.3
203.09489	1.6
212.07629	0.8
220.10341	0.9
221.04660	0.7
226.09210	68.6
227.09454	5.9
240.07301	0.8
244.10300	100.0
245.10512	7.4
283.18326	0.8
295.15140	1.6
313.16000	4.6
369.18686	90.3
370.18985	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	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.42427	5.9
54.96587	5.4
55.05514	17.3
57.07071	17.2
60.08160	11.1
60.95843	5.9
63.80857	6.2
63.96428	6.7
67.05497	29.8
69.07073	22.7
69.67626	12.5
69.68021	21.7
79.05492	28.5
81.07077	49.7
81.51034	6.4
83.08622	10.6
85.06534	9.2
88.56173	6.3
91.05478	56.9
93.07041	45.5
95.04974	20.7
95.08622	64.4
97.06493	7.7
105.07023	60.2
107.08593	65.6
109.06518	14.8
109.10139	33.4
111.08091	32.6
117.07024	16.4
119.08579	100.0
120.08884	10.7
121.06493	9.4
121.10123	43.2
123.08060	19.0
123.11704	18.0
123.14655	6.9
124.46639	7.1
129.06982	8.3
131.08556	45.5
133.10133	60.6
135.08038	21.9
135.11667	19.2
137.05951	69.0
142.07779	11.0
143.08528	32.4
145.10120	53.0
147.08051	27.9
147.11678	24.1
149.09618	19.0
151.11153	7.2
155.08539	15.3
156.09344	7.7
157.10118	52.2
159.08035	17.2
159.11705	43.8
161.09688	14.8
165.09111	7.5
169.10185	17.6
170.10876	8.5
171.11713	26.3
172.12498	9.6
173.13229	31.0
175.11160	8.0
175.14824	38.7
179.08517	9.0
181.10120	11.6
183.11710	29.6
184.12488	8.5
185.13268	21.4
187.14839	34.4
193.10138	12.2
193.15814	7.6
194.11034	10.6
195.11702	23.8
197.13181	32.1
199.14877	13.3
201.12711	7.5
203.10640	11.4
205.15874	7.7
207.11707	7.5
209.13225	19.1
211.11261	11.6
211.14894	14.0
223.14882	14.0
225.16391	10.0
229.12187	6.8
233.15392	11.2
235.14835	9.3
237.16422	13.0
239.18100	9.3
245.13206	7.6
265.19412	9.0
269.15439	6.9
289.02429	7.4
351.23318	18.4
368.42468	42.4
369.14786	7.1
369.24133	59.7
369.42761	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71678	3.0
53.03960	3.3
55.01871	5.5
55.05511	26.2
56.95409	3.2
57.03434	7.7
57.07069	8.2
60.08155	4.0
65.03918	3.5
67.05501	100.0
69.03445	4.2
69.07065	14.7
69.27489	15.1
71.05003	3.1
71.08624	12.2
79.05489	51.7
80.94870	3.1
81.03429	3.3
81.07055	58.7
83.04995	14.5
83.08606	14.8
85.06538	9.3
89.66902	3.5
91.05471	22.9
93.07040	54.6
95.04957	7.4
95.08600	40.5
97.06520	6.8
97.10177	12.5
99.08105	6.8
105.07023	25.9
107.08585	56.3
109.06507	4.9
109.10151	52.4
117.05479	3.8
117.07035	5.0
119.08597	12.4
121.06470	3.7
121.10135	24.6
123.11691	7.1
125.09646	8.2
130.54616	3.5
131.08578	10.5
133.10124	12.7
135.11679	32.8
136.12120	2.9
140.88258	3.2
145.10126	10.0
147.11703	14.1
149.13261	16.1
151.11208	9.6
161.13246	8.9
165.12703	7.6
171.11655	5.8
173.13264	5.7
175.14842	9.8
177.12730	4.3
179.14278	16.3
185.13293	4.2
189.11240	10.4
194.04182	3.1
195.13779	3.6
227.12833	7.9
231.21170	3.8
241.19647	4.9
245.13815	4.8
259.20526	22.6
277.21609	54.2
351.25293	30.2
368.42661	8.7
369.14948	4.9
369.19751	4.3
369.31546	3.7
369.42682	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	369.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01874	1.9
55.05508	33.2
57.03425	6.8
57.07075	25.7
60.08166	4.6
65.03935	3.3
67.05499	69.1
69.06709	3.3
69.07062	44.0
69.71513	2.5
71.08618	16.8
71.45702	2.9
72.08155	2.5
79.05493	27.4
81.07052	100.0
82.07399	3.4
83.04985	3.3
83.08619	31.3
85.06525	2.8
85.10164	7.3
89.06031	4.9
91.05473	24.4
93.07040	32.5
95.04951	5.7
95.08596	94.7
97.06541	12.8
97.10161	25.5
99.08124	3.2
105.04562	2.6
105.07017	15.0
107.08582	22.9
109.06541	2.5
109.10147	43.1
110.10502	2.3
111.08088	5.0
111.11681	10.9
119.08533	14.4
121.06508	10.2
121.10145	32.1
123.11691	25.4
125.09636	4.3
125.13268	3.2
129.05507	3.3
133.10094	18.0
135.11685	22.4
137.13222	16.3
139.14830	2.6
146.52991	2.0
147.11691	13.8
149.13283	10.4
150.11617	2.1
151.11150	2.4
151.14804	7.4
152.06131	2.6
153.06960	2.8
153.12694	3.0
161.13246	13.7
163.14827	15.4
165.07008	5.6
165.09169	6.6
165.16354	6.8
166.07773	5.0
167.14301	3.6
175.14799	12.6
177.16371	12.0
178.07950	2.5
179.14320	2.4
179.17917	4.2
189.16377	6.4
191.18033	2.3
193.15906	2.6
193.19473	3.3
203.17973	4.4
227.12755	13.8
259.24200	51.4
260.24506	4.4
261.06735	4.3
277.25223	59.5
278.25549	4.6
327.07806	10.3
351.28894	28.9
352.29126	2.4
368.42465	8.8
369.12396	18.7
369.29962	3.1
369.34500	5.4
369.38776	3.6
369.42712	16.4
370.40408	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	369.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	33.6
55.49945	2.7
57.03440	13.1
57.07072	21.4
60.08159	3.5
65.03889	3.3
67.05163	4.9
67.05504	76.5
69.07066	50.5
69.78220	6.6
69.78619	5.4
71.08620	10.2
79.05492	28.9
81.07050	92.8
82.15116	2.4
83.04970	3.6
83.08617	32.9
85.06530	4.1
85.10175	5.2
87.85361	2.2
91.05468	22.1
93.07041	32.4
95.04939	3.5
95.08603	100.0
97.06523	11.4
97.10162	24.2
99.08099	4.8
105.07010	14.3
105.71595	2.9
107.08588	25.6
109.10140	50.1
111.08057	6.3
111.11726	12.1
117.12746	2.6
119.08568	18.1
121.10133	31.3
121.30451	2.9
123.11684	25.8
125.13270	3.3
129.05406	2.9
133.10109	18.1
135.11681	19.9
137.09628	3.1
137.13260	13.9
139.11166	4.6
147.11642	16.3
149.13261	8.6
151.14803	9.5
161.13251	11.9
163.14821	11.2
165.12694	2.6
165.16351	3.9
175.14816	12.5
175.99126	3.0
176.69807	2.8
177.16405	9.1
179.17892	5.6
189.16400	9.5
203.17905	7.7
207.17380	3.9
227.12750	3.4
259.24222	50.5
277.25269	57.2
324.32477	11.7
351.28882	29.1
356.88351	3.0
368.42435	8.6
369.29980	4.6
369.38828	5.8
369.42847	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	370.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68566	1.2
57.49156	1.1
70.23755	3.5
72.04511	1.5
76.14256	1.0
93.65004	1.4
106.62962	1.1
110.25736	1.3
191.08568	2.6
207.08113	5.3
217.06468	1.9
218.07278	3.0
219.08012	7.1
220.08778	1.5
221.09590	1.9
223.11247	1.4
233.09621	2.4
234.06755	1.5
235.07549	12.4
236.08244	4.4
237.09151	2.0
239.10641	2.0
247.07582	20.5
247.09943	3.3
248.08182	3.5
249.09102	2.9
250.09845	3.3
251.10645	6.7
261.09103	2.0
262.09872	33.8
262.12491	2.1
263.07034	15.7
263.10199	5.1
266.09479	1.6
267.10239	2.9
277.08630	1.6
278.09311	26.8
278.11932	2.2
279.10059	14.0
280.10864	3.6
281.11740	5.6
293.11697	100.0
294.12411	21.8
295.09613	8.3
295.13120	5.2
310.14594	31.6
320.12796	3.7
323.11243	1.4
325.14368	7.7
338.13943	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	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.9
56.63568	6.1
57.03437	26.5
57.07044	6.5
67.05498	17.1
69.07058	27.7
69.07453	43.7
71.04984	6.0
75.86434	5.5
79.05482	11.2
80.71159	5.0
81.07050	28.0
84.85336	6.0
93.07025	22.3
95.08625	30.7
97.06523	31.2
105.07024	14.4
107.08592	23.5
109.10144	46.2
119.08585	44.2
121.10104	26.3
123.08012	5.6
123.91184	6.0
125.05886	6.0
127.07502	5.9
127.11200	10.1
129.05367	4.9
131.08536	12.0
133.10103	24.0
135.08044	12.1
135.11668	10.1
137.09570	29.0
145.10139	29.5
147.11638	10.9
149.09624	5.9
155.10664	100.0
157.10147	27.3
159.11659	37.3
161.13248	8.9
163.11162	16.8
163.14903	8.1
169.10136	11.6
171.11705	37.3
173.09584	7.9
173.13243	35.2
175.11140	8.7
175.14856	16.5
181.12250	32.2
183.11679	7.8
185.13330	13.4
185.45654	6.1
187.11285	7.5
187.14810	9.3
189.12732	7.1
191.14307	44.8
193.15889	7.0
197.13240	13.4
199.14798	7.3
201.78130	5.2
203.14319	19.7
205.12260	10.1
211.14833	5.6
213.12766	5.7
213.16354	45.4
215.14388	27.6
217.15848	7.5
219.13626	8.9
220.14554	12.1
227.17976	8.1
231.17389	40.4
243.17421	9.1
243.20367	4.6
245.18903	7.5
249.18459	31.2
255.17409	21.6
273.18427	40.5
291.19461	35.9
299.19962	19.7
309.20618	51.0
317.21091	86.4
335.21970	27.3
353.23346	7.9
366.39804	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	370.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
55.13387	0.5
57.06824	0.8
57.07074	10.1
58.06581	1.9
62.06090	2.8
67.05501	1.5
69.07056	1.2
69.39256	0.5
69.39542	2.8
71.08626	4.7
71.22392	0.5
72.08142	2.1
79.05475	1.2
81.07030	1.2
85.10201	2.5
89.06002	1.2
89.12048	0.6
91.05463	3.1
93.07037	1.3
95.04963	0.8
95.08591	1.5
98.22737	1.0
105.07016	1.2
107.08595	0.7
121.06486	2.3
121.10131	0.6
129.07072	0.7
131.08560	0.7
139.72644	0.5
145.10112	0.9
161.34805	0.6
165.09186	0.8
168.90543	0.5
172.11589	0.5
174.73074	0.6
184.20602	0.7
188.74384	0.6
189.92764	0.5
191.54100	0.7
202.21631	4.5
203.21896	0.6
212.23781	1.1
227.12714	1.9
230.24802	5.1
327.07748	0.6
328.08035	3.6
352.39224	1.5
353.24609	1.6
370.40402	100.0
371.16751	1.0
371.25671	3.4
371.40714	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
56.96556	10.1
69.42168	7.9
69.42574	10.6
70.06584	8.7
72.08141	3.7
73.02916	3.7
73.04760	3.6
75.80336	3.1
77.03902	5.3
83.06093	3.8
84.08149	7.4
85.02915	5.4
91.05801	15.4
95.04951	5.4
98.97565	6.2
101.06017	4.6
105.03403	6.3
107.04937	6.4
111.04389	4.7
116.98593	3.5
117.03419	6.2
123.04453	16.2
126.01040	11.7
128.00710	4.4
129.01755	3.7
129.05408	3.5
133.02850	24.8
135.04356	7.7
141.30461	4.2
147.06526	7.0
148.03831	4.5
149.28485	3.3
151.03877	6.2
161.02325	10.9
163.03922	5.7
166.05023	3.3
177.05418	7.9
179.03387	76.2
179.05859	4.8
190.05040	6.5
191.06763	3.7
202.98531	3.9
203.05222	9.0
206.61990	3.3
209.05885	15.5
211.20964	3.2
268.97705	3.4
285.00992	4.8
307.94775	2.9
320.15662	3.3
329.05368	9.3
347.06384	6.0
355.07047	3.5
371.12442	100.0
371.16922	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	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75988	1.6
74.10105	0.4
82.59006	0.4
98.23088	1.3
114.18147	0.4
118.98589	0.4
165.11314	0.4
169.77579	0.4
191.06755	0.7
203.05247	3.0
371.13107	100.0
372.13434	5.2
374.31274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
61.02914	0.3
67.05495	0.5
69.03419	0.7
69.47507	1.1
70.06593	1.7
72.08143	0.3
73.02917	0.6
77.03922	0.7
79.05522	0.3
83.01329	0.5
84.04510	0.6
84.08132	0.9
85.02919	1.3
86.09711	0.5
89.03907	0.4
91.05801	0.4
95.04965	1.2
101.02383	0.8
101.06010	0.5
105.03371	2.1
107.04955	2.0
110.07153	0.8
113.19411	0.2
117.03328	0.7
120.08097	1.0
123.04436	3.9
126.01110	0.3
127.03888	0.4
128.07040	0.4
129.05463	0.4
129.10194	0.4
133.02855	6.9
135.04376	1.5
137.05991	0.5
140.58478	0.3
143.04803	0.3
145.02881	0.8
146.03130	0.3
151.03876	1.4
161.02303	2.3
163.03894	0.6
173.05775	0.7
177.05484	0.9
179.03386	17.9
180.03741	1.0
185.04257	1.0
191.06793	5.3
203.05267	12.0
203.07196	0.5
203.51498	0.3
204.05635	0.5
209.07834	0.6
225.09830	0.4
321.77676	0.3
325.05450	0.4
329.05228	0.3
353.12027	1.1
371.13089	100.0
372.13361	5.6
372.17719	0.4
387.52844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77618	0.5
70.77934	0.5
112.53922	0.4
161.23863	0.4
179.03569	0.5
203.05161	2.8
252.09737	0.4
350.32922	0.4
371.13095	100.0
372.13425	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	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64085	0.6
56.82690	0.4
58.06594	1.6
66.96086	0.5
69.49850	0.5
84.08120	0.6
84.91201	1.4
98.09686	0.5
115.87191	0.5
116.95985	0.5
120.15677	0.5
144.10231	0.6
148.29025	0.4
182.05771	0.7
186.07910	0.7
191.06851	1.0
202.09308	0.9
203.05298	2.3
203.09334	0.5
204.08882	2.9
213.26279	0.5
213.96921	0.5
227.09427	0.7
228.00591	1.4
228.08949	4.6
237.83983	0.5
242.07016	1.3
245.10670	0.7
246.10072	7.7
247.10445	0.5
260.08084	1.1
271.07913	0.6
329.13828	0.7
371.13150	100.0
371.18484	8.6
372.13440	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	371.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19764	0.5
56.96563	0.7
58.56293	0.4
62.68129	0.4
70.06557	0.7
71.41724	0.7
73.04729	0.5
79.32224	0.4
84.08142	0.6
98.97559	0.8
105.03372	0.4
107.04942	0.5
110.07135	0.5
129.05396	0.4
133.02829	0.9
135.04311	0.5
136.05078	0.5
156.03288	0.9
174.04419	0.8
179.03413	2.6
186.04398	0.5
191.06711	0.6
203.05258	5.7
204.05476	0.7
219.02061	0.5
242.06978	1.7
245.56593	0.4
260.08072	1.2
311.04596	0.7
312.07919	0.8
329.05795	1.8
371.13101	100.0
372.08218	0.8
372.13354	6.7
372.17700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61702	0.6
64.04655	0.5
68.60925	0.6
69.41174	2.6
72.10890	0.6
88.22340	0.5
88.40229	0.5
90.07968	0.6
97.56728	0.5
110.37747	0.6
116.18050	0.5
185.04208	7.1
209.07838	100.0
210.08192	3.1
371.13083	75.6
372.13354	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	371.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51231	0.3
56.05022	0.4
56.61222	0.3
69.25303	0.3
70.06586	1.2
72.08150	1.7
73.04757	0.4
83.04951	0.4
84.08138	0.8
86.09702	1.5
98.23458	0.7
101.06009	0.4
106.06534	1.2
111.04462	0.7
123.04405	0.9
129.05460	0.5
129.10161	0.5
133.02829	0.9
135.04407	0.4
145.02742	0.5
147.06500	0.7
149.05917	0.4
150.11707	0.4
163.03780	0.3
166.03235	0.5
177.05383	0.4
179.03397	1.7
179.06041	0.4
185.04170	0.9
191.06784	5.9
198.09055	0.4
203.05255	9.4
209.07808	2.0
225.25844	0.3
325.12296	0.5
353.11853	0.9
363.20233	0.4
371.12994	100.0
371.16846	12.4
372.13342	5.4
372.17261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27736	0.3
55.05497	1.0
57.07075	10.7
58.06600	2.6
69.07064	1.7
69.19060	1.9
71.08630	7.3
75.23839	0.3
80.86282	0.3
81.07058	2.5
83.08598	0.8
85.10178	4.6
95.08607	4.8
97.10176	0.8
105.07036	0.4
107.08575	0.5
109.10143	2.0
111.11728	0.8
123.11697	0.7
129.05443	0.3
131.04936	0.5
131.08531	0.3
137.13245	0.5
142.67900	0.3
149.35938	0.3
190.04944	1.4
192.02515	0.3
211.20503	1.9
215.04482	0.5
250.08292	0.4
267.10913	0.7
268.26337	100.0
269.26654	5.6
294.11142	0.7
310.30685	0.3
319.10385	0.3
353.15796	0.4
354.14172	0.4
371.17267	2.7
371.27609	0.6
371.32401	0.5
372.17245	0.4
372.34772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.4
55.49999	2.5
57.03441	37.8
61.02928	14.6
69.03430	31.1
69.65024	9.8
71.01357	3.4
71.05016	2.8
73.02918	79.7
79.87090	2.2
81.03413	7.4
85.02908	100.0
86.98813	2.3
87.04459	3.6
91.03951	8.9
91.05801	2.7
97.02894	49.5
100.61667	2.3
109.02885	7.2
109.91762	2.7
115.03930	36.1
121.06546	2.9
121.59957	2.3
122.72371	2.2
127.03912	32.9
133.04980	9.9
133.38858	2.5
145.04959	72.6
150.07652	4.2
160.59810	2.2
163.06015	39.1
169.46353	2.7
181.04974	6.5
185.09718	3.2
193.05080	2.6
211.09416	6.0
223.06056	3.7
223.11784	6.6
241.07085	7.5
244.66171	2.8
259.08273	4.0
295.10339	3.5
372.13406	27.8
373.14694	12.2
395.20633	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2167
Annotation	20-hydroxy-prefusarin
Peak:m/z	Relative Intensity
53.03930	1.2
55.01866	3.4
55.05496	2.4
56.05025	2.9
57.03432	4.5
57.23743	0.6
62.06078	1.0
67.05502	5.0
69.03423	1.5
69.07049	2.6
69.08128	5.3
70.06582	1.2
70.49142	0.7
71.04971	0.7
72.04508	3.5
74.06078	4.8
79.05069	0.8
79.05484	2.9
80.05015	2.0
81.07040	2.2
82.02923	2.3
82.06579	3.8
83.04964	1.6
83.08595	1.0
84.65784	0.6
85.06551	0.6
91.05473	6.0
93.03346	0.8
94.06561	11.9
95.04991	1.4
95.08611	2.2
96.04504	3.7
97.06526	1.9
98.06006	3.7
100.07622	1.1
105.07030	5.9
107.04948	2.2
107.08563	2.0
108.04449	0.8
108.08118	3.7
109.05256	1.5
109.06502	1.5
110.06042	5.5
112.07615	6.1
115.05417	0.7
117.06985	2.0
119.08585	6.0
121.06495	4.7
121.10120	1.5
122.06019	26.4
123.08059	3.0
124.07600	2.0
125.09666	1.3
126.05511	15.6
126.09163	2.2
128.06184	1.3
128.07042	2.8
129.07007	3.0
131.08549	4.7
133.06508	1.1
133.10094	5.5
135.08038	2.9
135.11743	0.9
136.07585	5.0
137.09595	6.6
140.07056	38.0
141.06943	1.4
142.07768	3.1
143.08585	6.3
144.05728	0.7
145.06444	1.6
145.10135	5.9
147.08073	5.8
147.11676	2.9
149.09618	3.2
152.07176	3.5
153.05580	0.7
154.07610	0.9
154.08643	9.8
154.12242	1.6
155.08588	2.4
156.09306	3.9
157.10117	8.0
158.07149	0.9
159.08008	4.0
159.11668	2.1
160.08890	1.5
161.09618	14.2
161.13229	2.3
163.11183	3.1
164.10721	1.8
165.06996	1.0
167.08568	2.1
169.10153	6.2
170.10864	3.2
171.08037	1.0
171.11664	10.8
172.08832	1.0
173.09586	8.7
173.13199	0.9
173.40291	0.8
174.10225	0.8
175.07465	1.0
175.11218	6.4
179.08534	2.0
180.10167	1.7
181.04933	8.5
181.10077	2.6
182.08138	7.6
182.11772	6.7
183.08110	1.2
183.11673	4.1
184.08821	0.9
184.12448	2.6
185.09566	3.8
185.13237	6.4
186.10370	1.4
187.11157	3.8
189.09111	2.2
189.12708	8.6
191.14253	1.3
193.10312	0.8
194.10852	1.8
195.11665	2.1
197.09631	2.6
197.13239	2.4
198.10327	1.4
199.11182	12.0
199.14830	6.9
201.12779	3.5
203.10719	3.4
203.14340	1.4
204.11650	0.8
207.11760	1.5
209.13278	3.6
211.11247	1.7
211.14803	1.9
212.11975	4.9
213.12721	8.6
214.13478	12.2
215.14278	3.2
217.12225	1.4
219.13760	0.9
219.62366	0.7
220.13243	2.2
225.07568	9.8
225.12756	1.5
227.14305	27.0
228.14925	1.3
233.15370	1.5
235.14734	0.9
236.12759	2.5
237.16389	1.0
239.14297	1.0
245.15361	14.0
246.15059	2.6
248.12871	8.3
249.13312	0.9
249.16359	2.2
253.15776	1.1
255.17465	2.0
258.14987	0.8
265.15927	2.3
267.17487	1.4
270.15018	1.3
272.16382	1.5
274.14404	1.0
276.15836	1.0
283.16928	0.7
284.16437	2.6
286.14404	1.2
298.17957	3.1
300.15958	2.9
302.17435	2.9
310.18152	0.9
312.15991	0.9
312.19312	1.7
314.17487	1.4
316.19003	7.3
324.70975	0.8
326.21158	2.9
328.19073	1.3
336.19644	5.2
344.22278	0.9
354.20602	34.2
355.20956	2.7
356.02304	0.9
372.18170	4.0
372.21677	100.0
373.18121	1.4
373.22101	9.2
393.09293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	2.6
57.11150	0.8
70.06586	2.3
70.98798	1.4
84.08134	1.7
86.09679	1.8
89.03902	1.1
98.97579	11.1
101.00864	1.7
116.98626	7.2
117.03364	2.7
119.01917	5.8
119.04906	1.0
129.10246	1.5
134.99687	3.2
145.02824	5.0
147.04401	3.2
157.03340	1.0
158.99887	1.5
160.36473	0.8
161.02896	1.1
163.03813	1.8
174.97523	1.1
177.00938	12.0
177.05426	5.6
178.00995	1.7
179.00714	2.9
181.04953	3.6
182.99767	2.4
188.05814	1.0
193.02240	2.1
201.00909	7.0
202.01033	1.6
203.00742	3.8
205.02126	1.3
212.02597	1.5
216.98712	1.1
217.03920	1.9
218.98480	4.1
219.01993	88.8
220.02130	14.0
221.01474	9.8
221.03372	1.0
223.04521	1.6
230.00232	1.7
230.03603	33.7
231.00211	2.4
231.03801	3.7
233.03665	1.4
234.03647	1.5
235.04807	7.4
235.99950	1.5
236.99521	4.0
238.03276	2.9
242.03601	3.0
243.01843	4.9
249.01289	2.2
253.05261	1.1
256.02148	1.6
259.04559	6.9
261.03082	52.8
262.03214	10.7
263.03586	1.6
271.04205	1.5
277.05560	5.7
279.00610	3.2
283.04910	5.0
284.04922	1.5
287.03928	1.9
289.00760	1.1
289.05420	1.1
291.03970	1.0
292.01947	1.1
295.03796	5.0
299.03937	3.2
300.01120	1.0
301.00845	8.8
301.06024	5.2
302.01089	1.3
305.01007	1.1
307.02094	1.0
313.04767	55.1
314.04819	6.5
317.04895	1.4
318.98492	1.5
319.02008	3.3
329.02197	1.2
331.02319	9.4
331.05823	100.0
332.02594	1.5
332.05991	12.4
343.02136	1.0
349.03024	6.2
373.06696	4.9
373.14523	3.7
391.04041	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28883	0.2
52.61172	0.2
53.03936	0.3
55.01849	0.9
55.05495	0.7
57.03428	0.5
65.03604	0.3
65.03933	5.2
67.05486	2.0
69.03426	2.6
69.07043	0.6
70.06561	0.9
70.75321	0.5
72.08141	0.7
73.02913	0.3
79.05482	0.7
81.03410	0.8
81.06969	0.2
82.04189	1.9
83.01341	0.4
83.04954	1.1
84.04477	0.6
84.08124	0.8
85.02894	5.0
86.09687	3.4
91.05447	0.4
93.03400	1.5
95.04964	1.6
97.02898	1.4
97.06528	1.7
99.04430	0.3
101.02347	0.4
105.04472	0.4
105.37727	0.3
107.08587	0.7
108.02084	0.9
109.06471	0.3
110.03642	2.4
111.00771	0.4
111.04443	2.3
112.08717	0.3
116.07094	0.3
117.03356	0.8
123.00753	0.6
123.04412	0.5
125.02372	0.3
125.05079	0.2
125.05929	1.3
127.03927	0.4
127.35522	0.3
130.04916	0.4
135.04318	0.4
135.08054	0.4
137.02341	0.3
137.05997	0.4
138.03101	1.6
139.03897	0.7
140.04649	3.2
142.02592	0.8
145.02824	2.4
147.07631	0.6
149.05949	0.5
153.05449	3.7
155.07054	1.2
157.04935	0.7
163.03981	0.4
163.07492	0.4
171.06509	5.8
177.05444	4.6
181.04930	100.0
182.05273	2.7
185.09624	0.7
195.06584	1.9
199.06020	0.9
199.18039	0.8
212.16461	0.6
252.96852	0.2
254.80235	0.3
327.07104	0.3
329.12268	0.5
355.10226	1.1
373.07379	1.0
373.11069	0.9
373.14685	0.8
373.18228	0.5
373.25378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58016	2.5
56.96569	3.1
69.03421	3.8
70.70789	3.4
71.45246	3.0
84.04506	3.3
86.09691	5.2
91.05477	13.0
127.03881	4.7
135.08026	3.7
137.05965	3.3
145.02838	7.9
145.04944	2.9
147.48148	2.8
177.05428	5.6
181.04938	9.2
184.73601	3.0
185.09602	3.0
195.09959	7.6
224.47731	3.5
229.07480	5.4
372.90067	3.4
373.12436	100.0
373.18161	5.1
374.12631	7.6
388.06458	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63343	0.6
55.05463	11.9
57.07027	1.2
58.47500	0.8
63.09837	0.6
67.05450	1.0
69.07028	1.2
69.38897	2.9
70.06544	1.1
74.40438	0.6
81.07006	0.8
82.06531	2.0
83.04927	2.5
83.08624	7.0
84.08095	0.8
85.06465	0.8
86.09639	0.8
97.02827	0.9
98.09642	1.4
100.07615	5.5
100.11253	21.7
101.06006	0.9
111.03782	0.7
111.04428	9.9
112.07546	2.3
112.67075	0.7
117.13818	0.7
117.53902	0.8
123.41243	0.7
126.09114	1.9
128.07071	6.9
129.05441	1.0
130.66435	0.7
140.07013	3.1
147.11502	0.8
149.54764	0.7
151.71158	0.7
155.48074	0.8
164.14336	0.9
176.47647	0.7
181.04898	1.4
182.15395	30.0
183.80046	0.6
185.04199	11.3
192.13838	1.1
209.16402	0.8
210.14879	33.0
211.09399	100.0
212.09709	2.6
227.17548	3.0
228.15948	10.8
229.07465	2.5
245.18596	2.0
247.08473	1.6
274.78641	0.8
337.21204	16.4
355.17755	1.4
355.22256	11.5
373.14767	72.2
373.23254	2.4
374.15134	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	373.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38984	0.5
53.84489	0.5
56.96539	0.8
64.37061	0.6
65.03928	0.8
70.08810	1.0
70.09167	1.5
72.08132	0.6
84.08148	0.7
85.02877	1.2
86.09688	1.2
89.03899	1.9
95.04945	0.9
98.23367	0.6
105.30167	0.6
117.03331	1.4
135.04379	2.6
145.02844	2.1
163.03893	10.7
177.05489	1.3
181.04950	10.3
185.00868	0.6
185.04221	3.6
200.70869	0.6
211.09401	81.9
212.09747	1.5
249.02907	0.8
273.02817	0.9
352.05487	0.9
355.14066	1.0
373.14676	100.0
374.14862	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	373.1475
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
65.03938	1.3
67.05500	1.0
67.23710	0.5
69.03439	0.8
71.42757	0.5
72.08144	0.6
74.63506	0.5
79.05486	1.1
81.03448	0.6
81.07059	1.4
84.04485	0.6
84.08142	5.3
85.02916	1.9
86.09704	1.4
86.54041	0.4
88.79741	0.4
89.03920	0.5
90.63383	0.5
93.07043	0.9
95.04958	0.9
95.08608	1.8
95.40444	0.4
97.02888	0.5
97.06544	0.7
103.05492	0.6
105.07046	2.2
107.08587	1.0
109.02865	0.6
109.06516	1.5
110.03658	0.8
117.03374	1.0
123.08070	1.5
126.01096	2.6
128.02663	1.3
129.10228	3.8
133.06425	0.9
135.07037	0.5
137.06006	0.5
138.03011	0.6
141.46632	0.5
145.02850	1.7
148.99792	0.4
151.07539	3.1
153.05417	1.3
169.08598	1.4
171.06575	1.7
177.05467	2.2
181.04945	23.0
182.05344	1.3
186.08203	0.5
211.09448	2.2
212.05882	2.0
224.05836	1.0
227.83080	0.5
229.09248	0.8
235.30161	0.5
254.06963	0.8
278.06973	0.7
308.85461	0.5
311.13815	0.7
328.44577	0.5
373.14648	100.0
373.27829	1.5
374.14963	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	373.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05507	6.0
59.78989	0.9
65.03963	1.1
67.05507	4.0
69.03429	4.4
69.12183	7.9
76.31246	1.2
78.84777	1.3
79.05508	2.1
81.73903	1.0
81.74395	1.1
83.04981	23.5
87.04472	2.6
88.07687	1.0
91.05477	29.5
93.07057	2.5
95.04992	3.9
103.05429	1.5
105.07029	14.1
107.04990	1.6
107.08592	1.5
109.06489	2.8
115.05457	4.7
116.06252	6.4
117.07024	8.5
119.04966	5.6
119.08581	7.4
121.06509	29.3
128.06229	4.5
129.06995	17.6
131.08560	100.0
132.05717	3.0
132.08922	4.1
133.06531	2.4
135.03424	1.9
135.04399	10.5
135.08038	17.2
141.07013	3.1
142.07788	4.9
143.08551	8.3
145.06479	11.8
147.04439	8.9
147.08046	34.0
148.08313	1.3
153.01781	1.6
153.07004	2.9
154.07776	2.6
155.08542	26.6
156.09305	4.3
157.06473	2.0
157.10095	5.7
158.07355	1.5
159.08054	2.4
161.05960	15.3
161.09610	2.6
163.07623	1.3
165.06993	7.1
166.07744	2.6
167.08562	8.7
168.09381	6.8
169.06467	4.3
169.10110	15.3
171.08055	1.7
171.11696	3.1
173.06009	9.6
178.07753	7.6
179.08542	7.5
180.09299	6.4
181.10176	5.5
182.10893	10.0
183.08092	7.0
183.11694	18.4
185.09685	3.4
185.13249	3.1
191.08540	5.5
192.09328	40.2
193.10106	27.3
195.07977	5.6
195.11655	13.9
196.08829	3.2
197.05984	3.1
197.09662	3.4
197.13258	14.7
199.07573	5.0
199.11174	7.9
200.11960	2.5
203.08685	1.7
206.10970	1.4
207.11678	86.8
208.12413	21.8
209.09769	1.8
209.13223	2.4
210.10371	5.7
211.11162	19.6
212.08376	1.8
212.11531	1.2
213.09273	1.5
213.12723	18.9
215.08598	2.0
216.09351	1.5
218.10867	6.4
219.11690	2.1
221.13193	1.5
223.11119	2.2
225.12735	44.1
226.13470	9.4
229.10228	1.2
230.10963	2.5
231.08025	1.4
234.10260	1.4
237.09146	1.4
237.12782	5.7
239.10707	1.6
241.08620	2.1
243.11652	2.0
253.12354	1.2
255.10094	1.6
258.10367	1.5
259.11063	2.0
261.12799	3.7
263.14285	9.7
273.12720	2.0
277.12305	8.3
279.11703	1.7
281.11710	28.4
281.14676	2.0
287.14255	1.2
289.12222	12.9
297.07684	2.1
299.05609	1.7
299.14182	1.3
300.06268	1.5
302.12863	1.3
303.13766	1.6
303.17169	1.8
312.09891	2.0
312.15005	1.7
315.08582	3.0
315.13846	2.9
317.11731	3.6
317.18982	2.0
322.13593	2.9
327.08475	1.2
327.17453	12.9
328.05878	1.9
331.16983	2.2
337.15768	7.7
343.08109	22.9
344.08728	1.7
345.14627	1.5
345.18460	37.1
346.18671	2.1
355.16946	15.0
356.17456	1.3
357.09662	1.5
358.10489	4.1
373.12839	29.7
373.17990	23.8
374.13275	2.2
374.18307	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91329	0.3
53.03936	0.5
55.01853	1.0
57.03439	0.6
61.02887	0.4
65.03652	0.4
65.03943	5.4
67.05508	2.7
69.03407	1.6
70.06577	1.5
71.42831	0.5
72.08158	1.8
74.63257	0.3
76.54747	0.3
79.05481	1.2
81.03403	0.9
81.07046	0.5
82.04208	2.3
82.62674	0.4
83.01324	0.6
83.04992	0.5
84.04487	1.2
84.08141	4.9
85.02906	5.0
86.06046	0.6
86.09702	21.7
87.04440	0.5
89.03900	0.7
91.05451	0.6
91.79430	0.4
93.03392	1.2
93.07039	0.4
95.04977	1.9
97.02872	1.5
97.06525	1.6
105.04532	0.7
107.08585	1.3
108.02061	1.0
109.06468	0.4
110.03646	3.2
111.04428	1.6
112.08775	0.4
117.03372	1.9
123.00746	0.7
125.05977	1.4
126.01038	0.5
127.03914	0.7
128.02629	0.4
129.10263	2.8
130.05034	0.5
134.03587	0.4
135.08022	0.6
137.05949	0.4
138.03123	1.8
139.03911	2.9
140.04536	1.7
142.02589	1.2
145.02850	4.4
145.04942	0.3
147.04385	0.4
148.06061	1.5
149.05994	1.1
153.05463	3.1
155.06943	0.5
163.03905	0.6
163.07510	1.0
168.04703	0.7
171.06519	6.6
171.11285	0.4
177.05466	10.3
178.08620	1.5
181.04944	100.0
182.05273	5.3
193.12035	1.6
195.06522	4.7
195.13551	7.7
196.09663	0.8
197.16441	0.4
199.06015	0.6
199.18037	5.3
201.03706	8.8
201.05379	0.5
203.05257	3.9
212.16383	0.5
227.17525	2.2
229.28641	0.4
237.68108	0.3
242.18568	0.4
243.08057	0.7
261.14468	1.6
373.14297	3.3
373.18317	56.1
374.14120	1.0
374.18698	4.0
379.03894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01867	6.8
55.05502	6.8
57.03429	6.3
57.07084	2.0
59.04999	2.6
65.03948	4.9
67.05499	26.3
69.03427	7.9
69.07065	26.9
71.04999	4.7
79.05479	12.3
81.03409	100.0
81.07047	13.6
83.04973	5.6
83.08610	4.2
85.06539	7.8
86.00627	1.4
91.05476	22.8
93.07035	16.9
95.04961	68.4
95.08590	14.0
97.06523	27.0
97.10179	2.4
98.09692	2.1
99.08100	4.8
103.05466	3.1
105.07027	19.9
107.04952	5.6
107.08582	18.1
109.06506	11.4
109.09386	1.3
109.10153	6.9
111.08099	3.2
112.62801	1.6
113.04225	1.6
115.05447	5.1
117.07001	10.1
119.04924	4.2
119.08572	21.7
121.06492	18.4
121.10130	9.7
123.04420	18.7
123.08070	13.3
123.11713	4.4
125.09617	9.6
127.07588	2.0
128.06206	10.1
129.06984	14.9
131.04926	15.9
131.08566	11.4
133.06491	6.4
133.10121	16.0
135.04411	2.5
135.08034	21.2
135.11696	5.6
137.05939	8.6
137.09624	7.7
139.07552	3.3
139.59195	1.6
141.06958	10.4
142.07767	13.3
143.08556	17.0
144.09302	1.9
145.06494	17.2
145.10110	12.8
147.08043	32.8
147.11682	5.8
149.09607	9.5
149.13213	1.8
151.07553	2.2
151.11179	3.9
152.06142	2.7
153.06989	3.9
154.07784	3.9
155.08563	14.3
156.09344	6.4
157.06487	6.8
157.10153	16.8
159.08034	9.7
159.11699	8.4
160.08786	2.0
161.05960	3.7
161.09616	14.1
161.13193	2.7
163.07536	3.3
163.11124	3.6
163.14806	2.2
165.05431	2.1
165.06998	3.6
165.09137	2.8
166.07739	2.4
167.07181	1.8
167.08435	7.4
168.09286	2.4
169.06450	18.0
169.07742	2.1
169.10091	13.1
170.07256	3.2
170.10690	2.1
171.08051	13.1
171.11668	11.3
172.08823	5.7
173.02383	2.2
173.09581	14.7
173.13266	10.3
174.10260	2.0
175.07530	4.1
175.11208	11.6
177.09195	3.7
177.12711	4.5
179.08589	3.6
179.10638	3.6
181.06432	3.4
181.10100	8.4
182.07289	4.6
182.10901	2.8
183.08044	28.6
183.11569	7.8
184.08821	34.9
185.09605	94.3
185.13133	7.2
186.10298	9.7
187.07568	7.6
187.11151	19.5
188.08293	2.0
189.09120	10.2
189.10635	1.5
189.12666	7.1
191.10661	3.5
191.14304	11.1
192.09361	2.9
193.10117	3.9
194.10822	1.9
195.08093	4.8
195.11708	5.3
196.08853	3.3
196.12704	1.5
197.09593	36.9
197.13329	3.8
198.10318	4.7
199.11186	23.3
200.11763	2.8
201.09085	4.3
201.12729	7.5
203.10669	7.0
203.14342	4.6
205.10266	1.9
205.12175	2.2
207.11722	3.1
209.09596	19.5
209.13287	3.6
209.96947	1.5
210.10179	2.1
211.11154	21.3
211.14809	2.4
212.11913	3.1
213.09065	3.8
213.12695	17.1
214.13101	1.9
215.10696	8.3
215.14229	2.9
217.12378	1.7
219.13785	13.3
223.11174	7.0
223.14951	2.5
225.09068	2.3
225.12698	6.9
227.10648	21.0
227.14331	6.2
229.05103	2.3
229.12207	6.5
231.13806	12.4
235.11122	3.5
237.12679	7.6
238.13574	4.5
239.10658	2.5
239.14297	6.4
241.12309	2.7
241.51137	1.5
243.10231	1.8
243.13762	3.1
243.17398	3.0
245.15491	1.9
249.16364	3.6
251.14322	4.5
252.15135	4.6
253.12254	2.9
253.15822	21.8
255.13820	5.7
257.15356	5.4
259.11072	5.3
262.13568	3.8
267.14551	1.9
267.17389	12.5
269.15372	3.3
270.16077	19.1
271.16904	27.9
272.17349	1.9
275.75940	1.6
277.15839	4.1
285.18430	12.5
286.18655	2.0
295.16916	27.6
296.17133	3.5
313.17963	41.9
314.18188	2.9
331.19131	13.0
355.19098	5.4
373.20135	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	373.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.3
57.07064	1.7
69.07050	0.7
69.15754	0.5
70.06596	3.3
79.05480	1.6
80.10574	0.4
81.07047	1.1
88.07629	3.9
91.05483	1.0
95.04950	1.0
95.08602	0.8
102.09158	2.3
105.07018	1.1
107.08563	1.0
119.08577	1.5
123.89437	0.5
129.06960	0.5
133.10062	0.9
142.07788	0.5
143.08473	0.5
147.11670	0.5
153.01752	0.7
155.03850	0.5
157.10065	0.6
157.46812	0.5
165.07094	0.6
185.09477	0.6
195.11728	0.5
206.73273	0.5
219.46255	0.5
286.22620	0.5
312.09967	0.7
312.32672	6.7
329.20862	7.5
330.21341	0.7
332.16132	3.6
343.07974	3.4
350.17163	3.3
356.35013	0.7
373.13474	5.7
373.23456	100.0
374.13446	0.9
374.23767	6.4
374.36227	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01874	3.8
56.58593	1.9
57.03423	4.7
57.29245	2.0
61.02922	4.6
62.59234	1.8
65.03946	2.0
68.99786	2.3
69.03440	17.8
71.04999	3.3
73.02927	4.0
81.03412	11.0
85.02905	41.2
87.00825	20.7
91.05476	100.0
92.05820	3.4
93.02432	1.9
97.02875	13.2
99.04447	5.8
105.01862	30.4
108.04520	2.2
109.02876	12.2
122.70406	1.9
127.03912	34.5
145.04948	17.9
145.06032	2.4
145.06416	2.2
159.02879	6.3
164.21848	2.2
181.06503	2.2
189.03928	2.5
230.07819	2.2
231.05046	9.5
243.93631	2.4
249.05934	3.2
259.47385	2.1
266.10632	1.9
267.72272	1.9
344.56918	2.7
374.12299	7.1
375.12354	4.6
396.36215	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28836	0.7
55.01885	0.9
55.21363	0.7
57.03431	1.4
61.02929	3.2
68.42937	0.9
69.03420	4.2
69.74394	2.8
81.03406	2.1
85.02907	16.7
89.03905	6.1
91.05459	1.2
97.02905	4.6
98.22668	1.1
99.04437	0.8
100.74172	0.8
109.02924	1.2
109.89254	0.9
117.03372	17.7
127.03911	2.1
134.03630	1.5
135.04428	2.4
145.02831	46.7
145.04924	3.1
149.05992	7.0
153.05475	1.5
162.03221	1.0
163.03920	3.7
177.05457	100.0
178.05820	4.4
180.08664	1.3
181.04959	3.0
182.05363	2.0
195.06526	37.6
196.06799	1.2
218.41934	1.1
284.37607	0.9
300.87662	1.0
319.69385	1.0
374.17984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06742	1.9
60.94732	1.6
65.03944	2.4
66.04267	2.0
67.05496	4.0
69.03421	3.2
69.07050	2.2
70.06602	8.9
72.08153	2.8
81.03396	2.2
84.04495	2.1
84.08113	2.3
85.02895	6.9
86.09703	15.7
89.03909	9.0
91.05470	2.2
93.07011	2.0
95.04958	5.3
110.03645	2.0
117.03382	19.1
127.03889	3.2
127.07527	3.3
134.03633	2.0
145.02841	50.3
146.03085	2.2
147.07634	2.0
149.05959	11.1
153.05438	2.8
163.03897	2.2
171.06508	1.7
177.05464	100.0
178.05765	3.2
181.04955	35.0
182.05295	40.4
183.05489	3.8
195.06525	37.6
199.18071	4.3
277.18634	1.8
361.46362	2.0
374.18546	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	22.1
57.07087	8.3
62.06083	3.3
64.50589	1.5
65.14080	1.4
67.05521	2.4
70.06592	22.1
71.08614	3.8
78.88518	1.3
81.03407	6.1
81.07076	3.2
84.08153	2.5
88.07631	19.5
91.05438	1.6
94.63859	1.4
95.04989	7.3
95.08633	2.0
97.96814	4.0
98.97565	2.9
105.07008	2.1
106.08683	2.5
107.08588	1.8
110.97576	8.9
114.09166	5.6
115.97851	2.3
116.98621	1.8
118.08651	1.8
121.10133	3.4
123.01270	1.9
128.98576	12.2
132.10201	25.0
132.41728	1.5
143.00136	1.9
145.10127	2.1
146.99661	10.2
150.11256	20.7
161.01176	2.9
173.13304	1.6
179.03743	1.7
180.65379	1.5
189.04443	1.9
190.05017	1.9
193.15862	2.5
203.05923	1.8
211.06224	2.0
223.08449	1.9
233.49178	1.6
263.09647	4.6
312.32358	1.7
315.16269	45.9
316.16547	2.6
330.33597	5.2
331.15878	2.9
333.17352	87.0
334.17703	5.1
344.08292	4.0
351.14462	2.7
351.18460	30.6
356.18982	9.1
374.13226	6.5
374.19882	3.1
374.36285	100.0
375.36462	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	375.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63688	3.1
52.32886	3.1
55.92102	3.4
57.03431	5.8
58.64746	3.0
63.10077	3.2
63.51641	3.4
67.05492	5.4
69.03427	5.7
69.50533	12.0
70.89246	3.2
79.05483	5.4
81.03413	18.7
81.07062	7.0
93.07019	3.2
95.04983	18.8
98.09721	3.7
107.08583	4.2
108.41367	3.2
109.10178	4.3
119.08564	5.2
121.10144	6.4
127.03729	3.6
134.30740	3.6
135.08170	3.9
138.26042	3.3
141.74741	3.4
156.47375	3.7
161.09642	4.5
216.12331	15.3
220.76021	3.5
243.23244	3.3
244.84399	3.7
248.56726	3.7
259.11163	7.3
297.18555	5.8
315.19397	6.1
375.18903	100.0
376.19687	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	CHEBI:68162
Peak:m/z	Relative Intensity
53.03933	0.8
55.05512	0.6
57.03427	1.3
65.03923	0.5
67.05506	3.4
69.03414	0.7
69.07055	0.6
69.78571	1.4
79.05496	0.9
81.03415	11.4
81.07042	1.4
83.04972	0.5
91.05462	1.0
93.07034	1.3
95.04961	17.8
95.08598	1.2
96.05326	0.4
97.06512	0.4
98.23425	0.4
99.08074	0.5
105.06993	1.7
105.63768	0.3
107.04945	0.4
107.08578	1.8
109.06512	1.2
109.10155	0.8
116.22057	0.3
117.06992	0.4
118.06519	0.4
119.08550	2.4
121.06487	0.9
121.10147	3.8
123.04425	2.6
123.08058	1.4
123.11687	0.7
131.08571	1.0
133.10109	1.8
135.08058	0.7
135.11707	1.2
137.09604	0.6
141.05435	0.9
143.08569	0.6
145.06473	0.6
145.10121	1.0
147.08002	1.3
147.11673	0.7
149.09607	0.7
151.07562	0.4
151.11093	0.4
157.10133	0.9
159.08145	0.5
159.11731	1.1
161.09650	0.7
163.11205	1.4
165.12784	0.5
171.11653	0.9
173.13202	1.0
173.68785	0.4
175.11205	0.5
175.14841	1.6
176.14362	0.5
177.12732	1.0
185.09590	0.4
185.13255	0.4
186.07813	0.3
187.11110	0.6
189.09100	0.4
189.12787	0.5
191.14285	1.1
193.15892	3.4
197.13281	0.6
201.12686	0.7
215.14279	0.7
225.12694	0.4
227.14246	0.4
241.15800	0.6
272.20013	0.5
297.18475	2.7
315.19638	2.1
317.62564	0.4
331.18909	1.1
375.21396	100.0
376.21317	6.1
376.25989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.05499	2.6
57.03436	6.9
65.03937	4.7
67.05496	23.1
69.03407	1.7
69.07047	2.5
69.74348	5.2
71.04994	1.5
79.05488	5.2
81.03413	71.4
81.07038	3.9
82.03756	1.4
83.04947	2.6
91.05471	4.4
93.07039	8.7
95.04961	100.0
95.08597	4.7
96.05260	1.4
97.06544	1.6
98.23481	2.5
105.07008	8.9
107.04943	4.4
107.08587	11.6
109.06515	7.5
109.10132	3.7
117.07015	2.7
119.08563	12.2
121.06517	5.2
121.10132	21.7
123.04409	15.3
123.08073	7.5
123.11680	3.0
129.06982	2.5
131.08545	4.9
133.06505	2.7
133.10107	9.6
135.08046	4.4
135.11702	7.6
137.09605	1.5
141.05466	1.7
143.08553	2.2
144.09332	1.9
145.06476	4.5
145.10117	9.8
147.08035	8.2
147.11650	3.2
149.09607	2.8
156.09296	2.1
157.10150	3.0
159.11708	6.1
161.09656	2.4
163.11171	13.6
171.11700	2.1
173.13242	6.8
175.11145	1.7
175.14812	8.7
177.12738	5.2
183.11601	2.4
185.09601	2.0
187.11247	3.3
189.12747	2.3
191.14287	5.5
193.15871	26.7
195.11612	1.7
201.12741	1.6
211.11250	1.8
215.14288	3.2
227.14249	4.3
241.15898	3.6
243.13904	3.4
245.15233	1.5
269.19006	3.6
279.17361	2.3
297.18484	14.4
315.19525	11.2
375.21594	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	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.74792	1.1
55.05504	2.5
57.03437	10.9
65.03926	2.2
67.05502	21.7
69.03429	1.1
69.07058	2.4
69.98032	3.5
71.04980	1.3
77.14138	1.1
79.05485	1.5
81.03414	62.2
81.07021	1.8
83.04944	1.6
86.23979	1.1
91.05475	3.8
93.07024	3.4
95.04964	100.0
95.08598	3.5
98.22823	1.9
99.08069	3.6
105.07023	7.3
107.04935	1.4
107.08577	4.7
109.06509	4.9
109.10195	1.9
111.08061	1.7
117.07018	2.8
119.08569	9.8
121.06492	2.8
121.10132	28.0
123.04424	23.6
123.08061	5.4
129.06989	1.5
131.08569	3.2
133.10120	8.1
135.08026	2.0
135.11668	4.4
137.09581	3.6
141.05444	2.4
143.08577	2.4
145.06447	4.7
145.10114	3.9
146.37578	1.2
147.08067	8.2
147.11691	2.6
149.09630	2.0
151.11133	1.8
157.10141	3.3
158.10884	1.6
159.08026	1.9
159.11691	7.0
163.07518	1.4
163.11169	2.9
173.13251	7.7
175.11186	1.9
175.14781	12.5
177.12750	6.2
183.08078	1.6
185.09695	1.8
187.11217	2.9
189.09033	1.8
189.12907	1.3
191.14305	4.4
193.15863	16.1
197.13216	1.6
199.11176	2.0
201.12740	2.6
203.10632	2.1
215.14247	2.7
225.12709	2.1
237.12794	1.4
239.14261	2.2
241.15791	3.7
243.13792	3.2
245.15347	1.8
259.16904	3.4
273.18344	1.8
276.49396	1.4
279.17661	2.0
285.67126	1.4
297.18518	7.0
315.19586	10.1
316.61011	1.3
375.21790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.05505	1.9
57.03429	10.3
57.72356	0.9
65.03934	3.2
66.13772	0.8
67.05503	24.3
69.07066	1.4
69.92484	1.8
69.92813	1.6
71.04988	1.4
73.06557	1.4
76.72733	0.8
79.05485	2.5
81.03416	62.5
81.07052	2.2
83.04948	1.0
91.05487	3.1
93.07045	3.3
95.04965	100.0
95.08602	4.2
96.05300	1.8
99.08118	3.3
105.07031	7.4
107.04928	1.3
107.08604	3.9
109.06507	4.5
109.10143	2.0
111.08108	1.9
113.09670	1.1
117.07042	1.5
119.08590	11.0
121.06512	2.5
121.10143	34.2
123.04425	25.1
123.05283	1.7
123.08051	6.2
125.09599	1.6
129.06979	1.7
131.04935	1.0
131.08607	5.5
131.09442	0.9
133.06535	1.2
133.10136	9.8
135.08034	2.9
135.11626	4.7
137.09621	3.6
141.05490	2.4
141.07037	0.9
143.08580	2.4
145.06503	4.2
145.10143	4.3
147.08035	6.7
147.11652	3.6
151.11171	1.4
151.61218	0.8
155.08681	1.2
157.10162	3.3
158.10938	1.1
159.08014	1.0
159.11693	8.0
161.09692	1.5
161.13402	0.9
163.11214	2.4
165.12740	1.1
169.10115	1.0
171.08061	1.5
171.11719	2.3
173.09636	2.3
173.13225	7.7
175.11212	1.8
175.14812	11.9
177.12749	6.6
179.07036	1.7
183.11726	1.3
185.09666	3.1
187.11205	3.0
191.14314	5.4
193.15875	17.3
197.13254	2.4
199.11264	2.1
201.12741	3.2
203.10667	1.8
203.14357	1.0
205.58723	0.8
209.09598	1.0
211.11089	1.5
215.14313	3.0
218.44930	0.9
225.12823	3.2
227.14388	1.3
233.15402	2.4
239.14340	2.0
241.15915	3.2
243.13832	3.4
255.17499	1.8
257.15512	0.9
259.16946	3.3
269.15240	1.1
271.16998	1.0
273.18408	2.1
279.17484	1.9
287.16330	1.6
297.18533	9.1
315.19513	9.6
316.20065	1.2
337.52115	0.9
375.21606	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2165
Annotation	Excisusin E
Peak:m/z	Relative Intensity
53.03940	2.7
55.05513	2.2
57.03191	0.3
57.03432	9.8
65.03945	3.2
67.05499	24.1
68.05831	0.5
69.07066	1.2
71.02457	0.6
71.04986	0.8
73.06558	0.5
78.37613	0.4
79.05488	2.2
81.03410	63.2
81.07062	3.9
82.03738	0.7
83.08610	0.5
84.22231	0.4
85.06536	1.0
87.27135	0.5
91.05463	2.8
93.07034	8.9
95.04959	100.0
95.08591	4.5
96.05286	2.7
97.06527	0.9
97.10123	0.5
99.04449	0.6
105.07024	7.0
107.04945	1.1
107.08593	4.9
109.06516	4.5
109.10146	2.7
111.08071	0.8
115.05448	0.4
117.07017	1.9
119.08571	10.7
121.06509	3.0
121.10132	10.4
123.04420	15.7
123.08060	4.0
123.09442	0.5
123.11640	0.5
125.09547	0.6
128.06198	0.6
129.07025	1.1
131.04945	1.2
131.08549	5.9
133.06461	1.7
133.10123	6.4
135.08032	2.2
135.11682	4.7
137.06041	0.9
137.09596	5.3
141.05444	2.8
141.06992	0.5
142.07756	1.0
143.07478	0.4
143.08522	2.7
145.06453	4.2
145.10081	5.7
146.10851	0.5
147.08002	2.3
147.11664	10.2
149.09641	1.3
149.13184	0.5
151.07524	0.6
151.11150	1.5
155.08528	1.3
157.10150	2.1
158.10826	0.6
159.08052	1.2
159.11655	5.5
161.09612	2.4
161.13203	0.5
163.07552	0.4
163.11171	9.5
165.06982	0.5
165.12746	1.5
169.10089	1.3
171.08075	1.3
171.11682	1.7
173.09515	1.1
173.13225	5.5
175.07578	0.6
175.11244	2.2
175.14807	23.3
176.15208	0.6
177.09013	0.8
177.12703	3.3
179.06996	0.8
181.10085	1.0
183.08017	0.6
183.11713	1.1
185.09595	1.5
185.13184	1.3
187.11162	2.0
189.09050	0.7
189.12689	0.6
191.14319	4.0
193.15857	16.6
194.16185	0.5
195.11668	1.0
197.09561	1.0
197.13179	1.8
199.11147	1.4
199.14778	0.8
201.12730	1.9
203.14262	1.3
211.11090	0.9
213.12671	0.8
213.16264	0.7
215.14287	3.0
221.15324	0.5
223.14813	1.0
224.11880	0.8
225.12708	2.0
226.13507	0.6
227.14236	1.2
229.12292	0.6
229.15718	0.6
233.15289	0.9
237.12878	0.5
239.14232	1.5
240.15002	0.7
241.15797	4.7
242.16476	0.6
243.13786	3.0
245.15294	1.4
255.17372	1.6
257.15335	1.2
259.16949	2.8
267.17355	1.0
269.18866	1.6
271.16913	0.7
273.18344	1.1
279.17410	2.1
285.18405	1.6
287.16690	0.7
297.18417	7.2
315.19553	8.6
375.21606	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	375.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
57.03434	14.4
59.20722	2.1
59.65735	2.2
65.03940	3.5
67.05498	25.8
69.40424	12.8
69.79992	2.1
71.05041	2.2
79.05514	7.1
81.03419	73.6
81.03903	4.3
81.07063	7.1
88.75387	2.4
91.05492	8.6
93.07039	14.3
95.04966	100.0
95.08623	7.1
97.06554	3.2
98.79243	2.4
105.07027	13.1
107.04985	4.5
107.08591	12.4
109.06519	10.7
109.10152	4.5
111.08095	2.5
117.07043	5.1
119.08577	22.3
121.06516	6.3
121.10148	48.3
123.04404	18.3
123.08077	9.5
123.11715	5.8
129.07056	3.4
131.04912	2.5
131.08618	4.0
133.06538	4.3
133.10136	16.3
135.08057	6.3
135.11697	11.6
137.09651	3.8
141.05493	3.1
143.08601	4.4
145.06479	8.2
145.10149	11.4
147.08067	6.6
147.11723	4.0
149.09665	3.4
151.07553	3.9
156.09338	3.4
157.10085	3.5
159.08109	3.4
159.11682	8.4
163.11194	30.7
171.11623	5.8
173.13370	3.6
175.14825	16.8
176.37486	2.7
183.07957	3.0
185.09694	5.5
185.13283	7.8
189.12775	3.7
191.14450	5.6
193.08702	2.7
193.15906	31.0
197.13300	9.1
199.11081	2.8
199.14944	2.8
201.12811	5.4
203.14366	7.8
215.14450	3.3
225.12772	3.7
228.46957	2.6
241.15715	5.3
255.17360	4.1
259.16986	3.1
269.18872	4.1
279.17407	4.5
297.18503	16.9
315.19455	12.1
345.39175	2.5
362.46616	2.9
375.21814	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05503	5.0
57.03433	9.5
59.75634	1.8
65.03943	2.5
67.05506	19.2
69.03400	2.5
69.07053	4.0
69.45174	4.2
69.45582	6.5
79.05492	3.4
81.03412	63.0
81.07034	6.0
91.05460	4.3
91.58494	2.4
93.07029	8.4
95.04960	100.0
95.08593	5.7
96.05291	3.5
99.08078	2.4
105.07034	10.9
107.08611	10.1
107.09233	2.5
109.06525	10.8
109.10180	4.0
111.08126	2.4
117.07011	2.8
119.08572	17.3
121.06467	4.8
121.10134	38.8
123.04423	20.1
123.08064	10.0
131.08565	6.5
133.06499	2.2
133.10078	10.1
135.08037	5.8
135.11673	8.9
137.09587	3.1
141.05559	2.0
143.08557	2.5
145.06480	2.7
145.10121	9.8
147.08012	6.6
147.11642	2.8
149.09610	4.0
157.10077	3.9
159.11674	6.5
161.09598	2.9
163.11156	22.9
171.11697	3.4
173.13263	6.2
175.14790	12.7
185.09514	3.2
187.11128	3.1
189.12784	3.3
191.14287	5.4
193.15866	19.3
197.13235	5.4
199.11131	2.3
201.12709	2.9
203.14313	5.3
213.12640	2.5
215.14308	2.5
225.12584	2.2
241.15921	5.0
259.16867	3.8
263.16394	3.0
269.18936	3.8
273.18356	3.8
279.17456	3.5
297.18439	9.2
307.64059	2.0
315.19565	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	375.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
54.98248	1.3
55.01858	2.4
55.05513	1.3
57.03439	12.5
64.33593	1.1
65.03941	4.0
67.05159	2.0
67.05502	22.9
69.03433	2.1
69.07037	1.6
71.04981	2.5
74.32401	1.1
79.05478	2.6
79.53642	1.5
81.03413	78.8
81.07056	4.3
82.03745	1.7
83.04996	1.7
85.06519	2.0
91.05479	4.9
93.07017	5.8
95.04966	100.0
95.08604	4.7
96.05305	1.2
97.06522	2.7
104.37701	1.2
105.07023	10.9
107.04956	2.9
107.08580	5.8
109.06508	7.2
109.10136	2.7
111.04430	1.4
111.08064	1.3
117.07024	2.2
119.08572	14.6
121.06480	8.5
121.10135	26.3
123.04427	20.7
123.08061	15.2
123.11662	1.5
131.08565	4.5
133.06480	3.1
133.10109	12.9
135.08044	4.7
135.11694	5.6
137.09598	3.0
141.05431	3.7
142.07768	1.5
143.08553	4.1
144.09372	1.9
145.06490	5.1
145.10100	6.0
147.08040	5.2
147.11684	2.4
149.09634	4.5
151.07527	3.2
151.08746	1.3
151.11189	1.7
153.09151	2.0
155.08595	1.4
157.10214	6.2
158.10783	1.5
159.08076	2.5
159.11688	8.4
160.08730	1.3
161.09615	3.0
163.11151	7.5
169.10205	1.9
171.08012	2.6
171.11676	4.4
173.09657	3.0
173.13278	4.6
175.11163	2.2
175.14844	10.5
177.09120	2.7
177.12762	3.4
179.08554	1.5
181.10126	1.3
183.11728	1.8
185.09637	5.2
185.13214	2.1
187.11194	3.6
187.14783	2.7
189.12651	1.4
191.14278	3.6
193.15836	13.2
197.09537	1.4
197.13319	6.0
199.11188	2.6
199.14818	1.6
201.12823	2.2
203.10652	2.2
203.14354	4.6
211.11119	1.3
211.14836	1.6
213.12791	2.3
215.10753	2.5
215.14313	3.1
223.11192	1.6
225.12721	2.1
227.14278	4.5
229.15964	1.8
233.11742	5.9
237.12692	1.6
239.14313	1.8
241.12244	4.9
241.15938	3.8
259.13382	2.6
259.16965	1.6
269.19037	2.8
279.17410	4.0
297.18484	16.0
315.19510	18.5
333.22363	1.3
375.21509	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	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04810	3.1
53.03936	7.0
55.05506	32.1
57.03429	4.6
58.60957	3.4
59.84487	3.5
62.21635	3.9
67.05497	27.5
69.07057	14.7
71.04993	4.7
79.05482	38.3
80.61152	3.7
81.03405	21.0
81.07048	51.0
83.04963	8.4
83.08609	11.3
91.03838	3.7
91.05473	46.3
93.07034	75.1
95.04958	72.5
95.05537	5.4
95.08604	35.7
97.06522	10.4
105.07021	100.0
107.08598	48.6
109.06526	10.5
109.10146	23.6
117.07020	17.5
119.08571	79.4
121.06507	17.9
121.10139	75.9
123.04381	4.1
123.08037	11.6
123.11732	4.5
128.06250	7.9
129.07007	11.0
130.07838	8.5
131.08575	49.4
133.10098	40.4
135.08116	6.0
135.11679	19.2
141.07014	5.9
142.07750	21.8
143.08580	25.7
144.09305	9.0
145.10127	55.4
147.08009	5.8
147.11674	19.0
149.09622	6.1
153.05652	4.2
155.08577	9.6
156.09334	9.5
157.10114	31.2
158.10841	4.4
159.11650	31.5
161.09666	15.6
165.06961	4.7
169.10139	16.4
171.11685	20.6
171.66232	4.0
173.02754	4.1
173.13263	16.7
175.11200	6.4
175.14809	10.6
181.10081	6.6
183.11679	14.6
187.11087	6.2
187.14821	11.0
193.10123	5.1
193.15895	6.9
194.10873	7.9
195.11555	9.2
197.13258	12.7
199.14807	7.2
201.16385	6.4
209.13235	10.6
211.05951	10.2
225.16298	4.6
235.14827	7.5
253.15977	6.3
253.19522	5.6
275.20117	6.7
315.19855	4.8
319.20569	5.6
375.26627	31.0
375.30710	13.5
376.26553	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	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01876	3.2
55.05509	14.2
57.07069	4.1
60.19263	2.0
65.03937	3.1
67.05499	27.8
67.68398	2.2
69.03445	2.6
69.07078	13.7
69.32156	7.0
69.32568	4.2
71.04998	2.6
78.34850	2.1
79.05482	36.0
81.03408	4.3
81.06575	2.7
81.07052	48.9
83.04965	3.3
83.08611	5.9
91.05476	52.1
93.07039	84.6
93.07605	4.8
95.04964	51.1
95.05531	4.0
95.08596	40.3
97.06520	8.7
103.05487	5.9
105.04517	6.4
105.07021	100.0
107.08587	42.6
109.06510	15.5
109.10145	21.0
114.46214	2.0
115.05444	6.8
116.06239	4.5
117.07017	18.7
119.08571	83.4
121.06485	18.9
121.10131	73.0
121.11493	2.2
123.08073	8.3
123.11714	5.5
128.06166	10.7
129.06990	18.0
130.07759	8.8
130.08630	2.2
131.08560	42.1
133.06482	3.2
133.07538	2.1
133.10110	46.9
133.11024	3.6
135.08023	4.3
135.11673	15.6
137.09621	3.1
141.07011	5.9
142.07770	20.4
143.08568	29.4
144.09328	7.2
145.06509	2.2
145.10110	58.6
146.07208	3.5
147.08089	3.2
147.11681	19.7
149.13185	2.6
151.51303	2.0
153.06987	2.4
154.07793	3.7
155.08559	12.9
156.09335	8.3
157.10114	42.1
158.10870	5.7
159.08037	5.1
159.11700	31.3
161.09572	13.3
161.13289	5.8
167.08600	3.6
168.09370	3.1
169.10086	21.6
170.10867	3.1
171.11684	17.1
172.08852	2.1
172.12376	2.3
173.09674	3.0
173.13271	17.7
175.11182	6.3
175.14856	8.0
179.08510	7.9
180.09319	4.0
181.10091	8.2
182.10870	2.7
183.11644	11.9
185.13278	8.2
187.11195	6.4
187.14828	15.0
189.16353	2.0
193.10133	5.8
194.10835	6.9
195.11705	12.4
196.12355	2.7
197.13184	9.9
199.14807	9.2
201.12810	2.7
201.16449	5.9
207.11636	4.2
208.12415	2.8
209.13307	14.7
210.13939	2.9
210.73294	2.3
211.05966	3.7
211.14816	7.6
215.14345	2.6
220.12411	2.9
221.13292	4.4
223.14758	5.0
225.16235	2.5
233.13223	2.4
235.14835	4.2
237.16296	3.0
241.19397	2.3
251.17976	2.7
253.15785	3.4
253.19504	3.5
265.19717	2.7
277.19498	2.8
301.19391	2.0
347.27243	2.7
357.25897	2.8
375.26752	30.3
376.27011	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	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79974	0.8
53.03938	3.2
55.01855	3.6
55.05510	100.0
56.05838	1.6
57.03437	1.2
57.07060	1.9
65.03909	1.2
67.05504	19.8
69.07064	6.2
70.06580	1.2
71.04984	7.1
79.05492	16.1
81.03407	4.0
81.07056	15.0
83.05016	4.5
83.08614	48.8
85.06532	2.0
88.07616	1.3
91.05483	14.8
91.76144	0.9
93.07037	13.6
95.04965	14.1
95.08597	10.9
97.06528	7.9
97.10152	1.2
98.23457	1.7
99.08116	1.8
102.09174	0.9
103.79854	0.8
105.04489	1.6
105.07026	14.6
107.04980	0.9
107.08601	7.5
109.06517	8.1
109.10144	4.1
111.08102	2.9
117.07030	4.5
119.08583	9.9
121.06480	2.1
121.10148	6.7
123.08054	12.3
123.11706	2.5
125.09593	1.5
129.06935	2.0
131.08533	5.1
133.10112	6.0
135.11697	3.3
137.09596	3.7
143.08568	1.4
145.10103	4.8
147.11699	6.6
149.09564	1.1
151.11143	3.2
155.08507	1.0
157.10095	2.5
159.11676	2.8
161.13205	3.1
163.11194	2.1
165.12721	1.0
169.10042	1.3
171.11685	2.5
173.13153	2.0
175.11392	1.0
175.14804	1.5
177.12712	1.1
189.12749	1.4
193.15877	1.8
207.13702	1.2
224.16400	1.2
239.17906	1.8
257.19003	2.2
275.20035	11.3
276.20538	1.3
293.21164	8.5
301.19962	1.2
343.06738	1.0
345.08456	1.2
357.27802	2.5
375.24927	15.7
375.28986	11.1
375.36609	3.4
376.25385	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	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
53.33049	0.9
55.01862	1.2
56.96568	2.7
57.03439	2.0
61.02929	4.0
66.80846	0.9
67.05521	1.2
69.03424	7.1
69.07078	1.0
70.06599	2.1
72.08146	1.1
73.02919	1.2
77.85827	0.9
79.05428	0.9
81.03410	2.8
81.07078	1.2
84.04530	1.2
84.08151	1.2
85.02905	21.9
86.09718	2.6
91.03979	1.5
93.07018	1.6
95.08615	1.7
97.02911	6.6
99.04468	1.1
105.07028	1.2
109.02878	1.8
109.06506	1.3
110.71851	0.9
119.29325	0.9
126.01123	1.0
127.03941	4.8
128.00780	3.4
130.02348	1.8
130.04994	1.1
133.06509	1.5
137.05977	100.0
138.06306	2.8
145.02818	1.9
145.04947	5.2
146.99651	1.7
151.07521	4.9
155.03749	1.1
161.06067	1.7
163.03900	2.8
177.05458	2.2
179.07039	37.7
180.08717	1.7
181.04910	2.1
197.08080	5.2
211.02832	1.3
214.05627	1.0
225.66492	1.0
226.05551	1.4
231.28516	1.0
232.47174	1.0
237.00841	2.0
255.01770	3.9
273.02817	6.8
331.67517	1.2
376.12296	4.9
376.19247	1.3
377.13409	1.6
377.17770	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	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.0
66.24300	0.5
69.03417	2.5
70.06581	1.5
73.02352	0.6
79.05466	0.8
81.03439	0.7
85.02904	10.2
92.60005	0.7
95.08617	3.6
97.02892	3.2
97.56831	0.6
106.91352	0.6
109.02858	1.0
121.06527	0.7
123.04437	1.0
123.08076	4.0
127.03944	1.5
133.06512	3.9
145.04948	1.5
151.07527	100.0
152.07922	3.2
179.07010	13.2
180.07286	1.0
197.08070	29.2
197.09908	1.4
198.08437	0.6
199.30057	0.6
221.94992	0.7
261.96216	0.7
352.72568	0.7
376.16357	1.3
377.08456	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	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01867	1.3
55.03104	0.8
55.38523	0.7
57.03418	1.6
61.02913	2.9
69.03429	5.9
69.07092	0.9
70.06573	3.2
71.04977	1.2
72.08154	1.3
73.02902	0.9
73.53381	0.7
76.56319	0.7
81.03397	2.4
84.08144	1.1
85.02899	22.4
86.09695	5.5
87.04449	1.1
87.10021	1.4
91.03953	1.2
91.05487	1.2
97.02895	6.6
107.08542	0.8
109.02860	2.6
119.04913	0.8
120.08057	0.9
122.03596	1.5
127.03930	5.0
129.05508	1.1
137.05968	100.0
138.06322	3.3
145.04938	5.8
149.99170	0.9
151.07558	2.0
177.05421	0.9
179.07030	32.6
180.08665	1.5
181.05014	0.8
197.08101	4.2
267.82742	0.6
330.39487	0.9
343.79779	0.7
376.12323	0.8
376.18979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29862	0.6
53.03940	1.1
55.01867	1.6
57.03430	1.6
58.57438	0.6
61.02920	2.4
63.19972	0.6
66.21850	0.6
69.03432	4.4
69.56658	2.5
73.02908	1.3
81.03407	3.0
82.74609	0.6
83.01355	0.6
85.02905	23.0
86.03213	0.8
86.09695	0.9
91.03928	0.9
97.02895	5.9
98.22759	1.3
109.02859	1.9
122.03619	1.1
127.03940	3.9
128.00766	2.1
137.05971	100.0
138.06328	3.4
145.04976	5.1
151.07555	1.2
179.07034	34.0
180.07349	1.2
180.08679	1.6
181.04861	1.0
197.08134	4.6
214.05568	1.3
307.86334	0.8
337.44772	0.8
376.12128	3.1
377.17767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29963	0.5
53.03938	1.1
55.01867	0.9
55.05505	8.7
57.03424	1.2
61.02915	1.7
61.19788	0.5
63.28366	0.5
67.05504	5.4
69.03431	5.7
69.06725	0.6
69.07070	9.0
70.06573	1.0
71.04978	1.8
71.12269	0.7
72.04531	0.6
73.02923	1.1
73.06534	0.8
76.61481	0.5
79.05482	2.9
80.68633	0.5
81.03416	2.9
81.07053	17.6
83.04964	1.7
83.08612	8.2
84.07617	0.5
84.08137	0.9
85.02409	0.8
85.02903	11.8
85.06528	1.6
86.09693	0.8
87.04457	1.1
91.03931	0.8
91.05472	3.1
93.07038	4.5
95.04940	0.6
95.08600	21.2
97.02867	4.6
97.06530	3.0
97.10150	3.0
99.04454	1.4
99.08102	0.6
101.06013	0.7
104.32363	0.5
105.07034	4.7
107.08546	2.5
109.02879	1.3
109.06512	0.8
109.10141	1.3
111.08057	1.4
115.07559	0.8
119.08561	7.4
120.08099	0.9
121.10153	3.2
123.08044	2.3
127.03886	2.9
133.10121	4.3
134.43381	0.5
135.11664	2.6
137.09595	1.2
137.13257	4.5
138.06204	0.6
145.04910	1.9
150.49452	0.5
151.03859	0.7
152.04230	0.7
161.13246	13.7
161.77319	0.7
178.24496	0.5
179.14328	3.3
179.74138	0.5
190.88297	0.6
196.17024	3.2
214.18001	100.0
215.18295	4.0
228.17343	0.7
256.19061	1.0
266.05801	0.6
312.40625	0.6
340.21030	1.1
358.22363	2.7
376.23309	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	376.2483
Annotation	Tuberostemonine N
Peak:m/z	Relative Intensity
55.56589	0.4
57.03413	0.5
61.04984	0.4
67.05499	0.8
69.03434	0.4
69.07073	0.6
69.51507	1.8
70.06593	0.6
70.63114	0.4
71.04987	0.5
75.57047	0.4
79.05500	0.4
79.19760	0.4
81.03403	1.2
81.07038	1.0
86.37963	0.4
87.04460	21.2
91.05469	0.7
95.04953	0.8
97.06483	0.4
98.23476	0.8
101.17904	0.5
105.07027	0.9
107.08601	0.5
107.63255	0.5
117.05740	1.2
118.05740	0.3
118.06533	8.5
118.07320	0.9
119.08559	1.0
120.08118	0.6
128.84717	0.4
129.06964	0.5
130.06514	1.3
131.07298	2.4
132.08083	5.9
133.08900	1.2
134.09615	0.5
138.12766	0.9
143.08575	0.7
144.08101	0.8
145.06473	0.6
145.08882	0.6
145.10080	0.4
146.06013	0.6
146.09647	4.5
150.35860	0.5
158.09615	0.6
159.11806	0.5
160.11209	1.7
169.10233	0.5
174.12744	0.8
184.35278	0.5
185.13329	0.7
186.12708	0.5
188.07257	0.5
188.14345	1.0
199.14905	0.4
202.15945	0.5
218.11789	0.6
244.20552	2.3
272.20068	33.6
273.20386	1.7
290.21100	27.1
291.21478	1.6
354.42953	0.5
376.24820	100.0
377.19443	1.2
377.25009	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	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89532	0.5
64.24048	0.5
66.28545	0.5
69.51736	2.0
69.95183	0.6
87.32059	0.6
106.11052	0.6
135.04332	0.6
163.03906	3.1
164.61267	0.6
179.03221	1.6
185.02042	3.2
197.04224	2.1
215.05251	7.4
292.82993	0.6
301.02689	0.6
333.09894	0.9
359.07242	3.9
377.08405	100.0
378.08755	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	377.1454
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03949	2.1
53.73565	0.3
55.01831	0.5
57.03433	9.1
59.04975	0.8
61.02926	4.0
64.65495	0.3
69.03425	16.1
69.66000	0.7
69.66359	1.2
71.00996	0.3
71.01347	3.4
71.04986	4.5
73.02906	2.9
75.04475	2.9
81.03422	3.8
87.04427	0.8
98.23436	0.4
99.03927	0.4
99.04452	5.4
117.05488	0.8
130.06442	0.6
137.05988	0.4
139.14803	0.3
145.07578	2.9
159.09106	0.5
170.07127	1.7
172.08684	34.5
173.09012	1.3
174.10175	0.5
186.10307	0.6
190.09694	1.4
197.09407	0.7
198.06586	7.6
200.08185	5.6
209.30269	0.4
214.09666	0.6
216.07663	20.4
216.83855	0.3
217.08022	0.5
217.56747	0.3
218.09155	0.9
243.08752	76.5
244.07072	1.1
244.09265	2.9
262.89667	0.4
334.95157	0.4
341.12238	0.5
359.13483	3.4
376.24814	0.6
377.14529	100.0
378.14819	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.05506	13.9
57.03426	5.2
59.04998	10.4
69.03067	5.0
69.03427	64.7
69.07065	100.0
71.04986	10.2
79.34370	3.2
81.03407	47.0
85.02903	38.0
87.00823	14.0
95.05012	3.6
95.44884	3.2
97.02900	22.4
98.03147	3.2
99.04453	24.2
105.01877	6.2
109.02879	30.2
111.04463	4.6
111.11705	20.6
127.03912	78.2
129.12724	32.8
159.08118	4.6
213.03880	6.1
231.05028	37.9
235.11749	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.05506	13.9
57.03426	5.2
59.04998	10.4
69.03067	5.0
69.03427	64.7
69.07065	100.0
71.04986	10.2
79.34370	3.2
81.03407	47.0
85.02903	38.0
87.00823	14.0
95.05012	3.6
95.44884	3.2
97.02900	22.4
98.03147	3.2
99.04453	24.2
105.01877	6.2
109.02879	30.2
111.04463	4.6
111.11705	20.6
127.03912	78.2
129.12724	32.8
159.08118	4.6
213.03880	6.1
231.05028	37.9
235.11749	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1959
Annotation	19-Hydroxysecochiliolide acid methyl ester
Peak:m/z	Relative Intensity
53.03947	11.1
55.01871	14.7
55.05511	18.2
57.03438	43.7
58.25436	4.7
59.04976	4.5
59.42345	4.5
59.52958	3.7
62.49024	4.5
65.03928	24.4
67.05508	18.2
69.03425	8.3
69.07066	22.2
69.13710	20.2
69.14118	7.9
71.04990	7.9
77.70269	4.7
79.05493	46.1
81.03421	20.2
81.07053	100.0
82.09741	4.0
83.04992	6.8
85.06528	12.1
91.05465	28.9
93.03397	21.9
93.07063	19.3
95.04964	49.0
95.08602	18.4
97.06541	29.8
99.04465	11.3
105.07018	37.7
107.04939	5.4
107.08582	25.6
109.02869	27.5
109.06525	20.9
109.10142	25.2
111.08091	6.0
117.07020	8.3
119.01299	19.7
119.08569	46.0
121.06518	7.0
121.10129	21.6
123.08046	24.6
123.11713	5.4
125.09640	7.4
128.06235	8.2
129.07018	14.3
131.08565	30.6
133.06474	6.4
133.10129	40.8
135.08083	15.9
135.11678	7.5
137.02333	29.0
137.06015	6.0
137.09622	16.8
141.06967	6.9
141.09140	6.3
142.07816	10.8
143.08554	24.5
144.09384	6.6
145.06506	7.0
145.10150	36.6
147.08063	19.1
147.11722	19.7
149.05991	7.6
149.09627	20.2
151.03897	56.2
151.07501	8.0
151.11140	25.5
154.69412	4.0
155.08549	13.7
156.09364	13.5
157.10138	25.8
158.07285	5.6
158.10944	10.0
159.08112	18.8
159.11681	21.4
161.09628	61.4
161.13277	10.0
163.11179	11.3
165.06946	6.0
165.09064	5.1
165.12762	5.4
166.07826	6.1
167.08578	8.1
168.09396	9.4
169.04953	37.6
169.06334	7.0
169.10133	11.9
170.10910	9.9
171.08092	8.2
171.11679	21.3
173.05949	6.1
173.09624	21.9
173.13239	25.1
175.07527	9.8
175.11171	33.1
179.07072	4.9
179.08534	7.2
179.10678	20.2
181.10191	6.3
183.08011	5.4
183.10251	5.8
183.11719	18.2
185.09604	21.0
185.13272	23.7
186.10324	5.6
187.11172	41.3
187.14940	7.0
189.09071	7.9
189.12767	42.7
191.14305	38.1
195.11736	10.3
197.09613	6.7
197.13321	13.5
199.11223	10.5
199.14769	7.4
200.11958	6.8
201.12733	13.9
203.10654	12.7
203.14339	20.4
207.13835	12.1
209.09518	5.5
209.13281	9.0
209.15388	5.3
211.11224	11.0
213.12723	49.6
214.13223	5.5
215.10699	8.3
215.14342	35.5
217.12253	39.3
218.12920	7.7
219.13847	15.8
221.07999	12.1
223.10902	4.7
225.12749	14.3
227.14272	7.4
229.12251	5.0
229.15750	6.4
231.13892	27.5
233.15410	14.0
235.13214	7.5
239.14316	9.1
243.10141	5.6
243.13802	4.8
245.15244	5.0
249.14816	11.5
253.12263	5.6
255.17274	5.6
257.15482	5.1
263.14154	5.8
271.13193	11.0
281.15390	21.2
285.14905	7.8
287.20026	5.8
299.16605	8.6
299.20029	33.4
309.14777	11.1
313.18057	11.0
317.21078	43.9
327.15808	43.1
345.16891	19.3
359.18484	44.1
377.22989	16.1
378.32327	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	377.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.01839	4.0
55.05486	2.0
57.03421	10.8
57.82336	1.9
65.03935	9.3
66.29380	1.6
67.05472	5.0
69.03413	2.3
69.07037	2.0
69.21463	2.6
69.52441	5.6
69.52834	3.7
79.05441	7.5
81.03369	5.2
81.07010	5.8
85.02864	2.2
87.04412	8.2
87.43805	1.7
90.81738	1.6
91.05415	5.6
93.03372	5.2
93.06989	4.7
95.04949	13.3
95.08562	2.3
97.06503	3.1
99.04418	2.0
105.07003	13.1
107.08509	5.7
109.02799	6.2
109.06446	3.9
109.10078	3.0
110.47955	1.8
119.01209	5.8
119.08582	10.4
121.06469	3.3
121.10082	3.7
123.07955	6.0
125.05714	6.5
129.06952	4.2
131.08487	7.0
133.06468	3.4
133.10121	9.5
135.07959	2.5
137.02338	10.7
137.09569	2.5
141.06898	2.5
143.08464	4.3
145.06447	1.7
145.10036	4.7
147.07944	6.5
147.11589	6.0
149.09549	4.2
151.03889	12.5
151.07436	2.9
151.11115	2.8
155.08482	3.7
156.09233	3.3
157.10013	8.7
159.07974	4.5
159.11600	4.0
160.08786	1.9
161.08406	2.2
161.09598	25.7
161.13173	3.1
163.07295	2.4
165.15027	1.7
169.04984	11.5
169.06194	3.3
169.10046	2.7
170.10864	2.8
171.07886	2.8
171.11577	6.6
173.09561	7.1
173.13199	4.6
175.07420	3.9
175.11185	9.3
177.09082	1.9
179.10608	2.3
181.09872	2.5
183.07947	2.6
183.11589	3.5
185.09486	3.8
185.13220	11.8
187.11119	2.7
189.12724	16.3
191.14217	3.3
193.08516	2.7
199.11044	4.2
200.11761	2.1
201.12659	3.0
203.10529	5.5
203.14244	4.2
206.10788	3.0
207.11647	2.8
207.13655	4.5
209.13014	2.3
211.11197	2.8
213.12685	15.3
215.10635	2.4
217.12288	11.4
219.13658	5.8
221.07941	6.5
231.13768	9.5
239.14185	4.4
241.12065	2.4
243.09953	2.2
243.13689	4.5
249.14804	3.1
253.12102	3.1
253.15828	2.8
255.13571	2.3
261.14664	2.2
263.14096	3.1
267.13412	2.2
271.13083	4.3
272.19913	4.5
273.20447	9.0
281.15112	8.0
285.14566	2.0
291.21304	2.8
299.16107	5.8
309.14581	5.3
313.17746	3.5
319.18475	2.5
327.15878	19.7
341.17123	3.5
345.16486	6.0
359.18484	19.2
376.24350	2.4
377.22705	100.0
378.22852	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	377.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
55.05500	1.8
58.20566	1.3
67.05503	10.5
67.18515	1.2
71.44377	1.3
72.73909	1.2
79.05476	1.7
81.07052	2.2
81.17159	1.1
83.04964	3.8
84.04507	16.6
85.02898	10.2
85.71142	1.2
86.06065	3.9
87.04427	1.1
91.05478	4.3
93.07045	12.8
95.04964	2.7
95.08017	2.5
95.08595	29.7
96.04495	1.7
102.05536	3.9
105.07021	5.6
107.08611	2.2
108.08073	2.6
119.08551	3.6
120.08077	1.6
121.06476	2.6
123.08138	1.1
130.05003	27.1
131.08606	1.8
133.06552	1.5
136.07558	2.9
138.09073	1.8
143.08559	2.3
145.10097	1.4
146.09616	1.9
148.07574	5.1
148.11220	1.4
150.09100	2.4
157.10124	3.8
159.08102	1.4
160.07547	2.4
162.09094	3.7
174.09114	4.7
176.10724	2.1
185.13165	1.5
186.09061	1.8
188.10641	1.7
195.11731	2.0
200.10681	1.3
202.08612	1.5
211.07187	1.7
212.14380	1.4
213.12785	6.1
214.12344	1.5
215.91797	1.2
229.14609	1.7
230.15375	46.0
248.09206	4.7
248.16304	1.5
260.09158	2.8
296.16641	1.6
300.15973	2.2
313.18869	3.3
314.17615	1.6
341.18539	6.3
342.17099	11.7
359.19577	100.0
360.19922	6.1
377.10178	1.6
377.20166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2321
Annotation	Asterolaurin D
Peak:m/z	Relative Intensity
53.03939	2.2
53.84521	0.5
55.01871	1.6
55.05505	2.5
57.03174	0.9
57.03434	10.0
57.07071	1.7
65.03938	1.6
67.05505	7.0
69.03424	1.6
69.07072	3.4
69.74071	2.3
71.04984	3.0
72.13576	0.5
72.65777	0.6
77.03950	0.8
79.05490	24.3
81.07053	100.0
82.07390	2.0
83.04978	2.2
83.08627	1.5
85.02887	1.0
85.06541	9.7
89.35403	0.5
91.05473	4.4
93.07030	6.3
95.04960	1.7
95.08598	10.2
97.06533	3.1
99.04461	6.0
99.08085	1.0
105.07021	9.4
107.04973	0.9
107.08592	9.6
109.06514	33.0
109.10152	9.8
110.06882	1.3
111.08022	1.0
115.05496	0.8
117.07009	1.7
119.08580	10.9
121.06477	2.9
121.10138	6.9
123.08071	4.9
123.11668	1.6
125.05953	0.7
125.09621	2.9
127.07551	18.6
129.06982	2.0
131.08560	7.6
133.10114	10.3
135.08089	3.4
135.08920	0.5
135.11678	5.6
137.09615	4.4
141.06990	0.5
142.07758	1.8
143.08569	4.7
144.09338	1.5
145.06458	1.0
145.10112	13.1
147.08073	2.1
147.11693	5.4
149.09593	4.5
149.13260	2.3
151.07527	0.5
151.11157	10.0
151.12280	1.0
153.12721	5.9
155.08519	1.7
156.09348	1.5
157.10110	4.9
158.10905	4.2
159.08060	2.4
159.11710	6.5
160.08835	1.1
161.09595	3.6
161.13202	3.1
163.11128	3.1
163.14813	0.7
165.09105	1.2
165.12758	1.6
167.14313	1.4
169.10135	2.1
170.10876	1.1
171.07954	0.8
171.11655	4.2
172.08894	0.8
173.09642	5.9
173.13245	19.8
175.11197	5.9
175.14841	1.9
176.11984	1.1
177.12762	1.2
179.10657	3.7
180.11365	0.7
182.10811	0.7
183.11621	3.1
185.09560	1.5
185.11722	0.5
185.13222	3.4
186.10397	2.3
187.11163	19.0
187.14769	3.1
188.11771	0.9
189.12717	10.4
191.10622	1.0
191.14294	23.3
192.14633	1.3
193.08557	0.9
193.12219	2.8
195.11702	1.2
197.13258	4.1
198.10449	0.6
199.11221	1.4
199.14897	1.9
200.11992	1.5
201.12767	4.2
201.16356	1.8
203.10687	2.5
203.14302	3.2
205.12344	0.6
207.13712	2.7
208.10953	0.7
209.13449	1.1
209.15291	5.2
210.13913	0.9
211.14803	1.9
213.12802	3.7
215.14305	34.6
215.17731	1.2
216.14668	1.7
217.12268	2.4
217.19400	0.9
218.12990	2.0
219.13811	8.0
221.11676	2.8
223.14790	0.6
225.12898	1.1
225.16357	2.1
227.14326	1.3
229.12357	1.0
229.15941	1.6
231.13820	6.8
235.13307	1.1
236.14117	2.3
239.14369	1.6
239.17982	2.4
241.15845	1.4
243.13759	1.6
243.17427	4.9
245.15300	0.8
247.16953	0.8
249.14819	5.5
253.15924	0.8
253.19508	0.9
257.15384	2.8
257.18927	1.8
261.18469	4.4
263.18066	0.9
271.16946	9.7
271.20520	2.4
272.17343	0.7
275.16376	4.2
281.19052	4.0
299.20023	23.2
300.20413	1.2
303.19537	1.8
317.21057	20.5
318.21609	1.4
321.20569	1.0
341.21124	1.6
359.22220	7.5
377.23203	36.1
378.23477	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	377.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.6
61.72519	3.7
67.05505	34.0
69.07059	8.5
69.45969	18.4
79.05517	7.3
81.03417	83.9
81.07064	27.2
83.08640	7.9
90.92905	4.1
93.07031	10.6
95.04968	100.0
95.08598	16.0
105.07039	6.7
107.08605	11.2
109.10145	17.0
118.89190	4.6
119.08612	7.8
121.06570	6.1
121.10155	8.3
123.04409	25.8
123.08083	15.2
123.11720	30.0
131.08592	4.9
133.10129	13.2
135.08034	11.8
135.11729	4.6
137.13266	6.6
137.49965	4.4
147.11705	5.1
149.09616	10.7
149.13219	7.8
161.09583	7.2
161.13277	8.6
165.12738	6.4
177.16364	9.1
189.16383	13.7
205.15970	17.5
206.68231	3.9
223.14687	3.9
225.12637	5.3
271.20459	5.3
281.19046	8.1
284.12723	4.5
299.19962	35.4
313.21619	11.7
317.21234	30.5
331.22589	6.6
378.33575	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.05509	6.0
57.03423	14.3
57.07058	4.1
67.05508	25.9
69.03400	4.6
69.07061	11.5
69.51858	15.0
75.00485	3.1
79.05492	5.4
80.67437	3.2
81.03412	85.1
81.07057	22.1
82.53317	3.3
83.08627	6.5
91.05486	4.1
93.07011	7.0
95.04972	100.0
95.08589	16.5
98.23482	6.2
99.08080	7.8
100.69008	3.5
105.07008	8.2
107.08577	9.8
109.06548	9.0
109.10146	16.4
113.09606	3.7
119.08582	15.1
121.06490	10.3
121.10123	12.5
123.04435	25.9
123.08055	9.4
123.11695	35.0
131.08612	3.8
133.10135	13.5
135.08009	5.3
135.11722	5.9
137.13223	7.9
143.08513	3.8
145.06445	4.6
145.10086	7.4
147.11700	10.4
157.10129	4.6
159.11577	4.7
161.09590	6.6
161.13237	6.6
165.12714	9.9
175.72073	4.1
179.10561	3.3
179.14401	3.5
189.16389	16.2
190.26871	3.4
191.14276	6.1
205.15846	21.8
217.15781	5.9
231.17389	4.2
241.15706	5.0
243.17554	4.5
260.86743	3.5
281.18936	11.3
299.19986	33.6
313.21500	11.8
317.21072	39.4
318.21631	4.2
331.22708	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	377.2322
Annotation	Lungshengenin D
Peak:m/z	Relative Intensity
53.03941	2.5
55.01860	1.4
55.05507	1.9
57.03437	8.3
57.07080	1.4
63.22193	0.8
65.03941	1.9
67.05511	7.4
69.03422	1.7
69.07071	2.5
70.06620	1.0
71.04975	2.6
78.64803	0.8
79.05492	23.4
81.03391	1.3
81.07053	100.0
82.07396	1.2
83.04971	2.6
83.08596	1.4
85.02899	1.8
85.06536	9.7
91.05459	5.4
93.07035	8.0
95.04966	4.1
95.08601	10.1
97.06520	3.6
98.23436	1.7
99.04458	4.0
99.08098	1.2
105.07037	8.9
105.50987	0.7
107.08591	10.0
109.06512	33.4
109.10152	9.1
111.08067	1.2
117.07011	2.3
119.08575	12.1
121.06510	2.3
121.10162	6.6
123.08067	4.0
123.11723	2.7
125.09634	3.1
127.07552	15.7
129.06985	1.9
131.08539	8.8
133.10130	9.6
135.08058	3.0
135.11674	6.0
137.09604	3.8
142.07745	1.3
143.08549	5.3
144.09288	1.8
145.10123	12.2
147.08052	2.2
147.11699	5.0
149.09624	3.6
149.13293	2.4
151.11166	9.3
153.12743	4.9
155.08540	2.4
156.09273	1.6
157.10143	3.5
158.10936	3.9
159.07997	1.5
159.11697	5.8
161.09628	3.3
161.13220	1.4
163.11180	2.9
163.14792	1.8
165.09003	1.2
165.12781	2.7
167.14186	1.0
169.10139	1.7
170.10706	0.9
171.08067	1.4
171.11668	5.1
173.09648	5.5
173.13254	19.7
175.11240	4.8
175.14793	1.0
176.11958	2.1
177.12706	1.7
179.10638	3.3
183.11687	3.7
185.13248	3.7
186.10410	2.3
187.11182	16.4
187.14821	2.6
189.12723	8.4
191.10760	1.1
191.14296	23.2
191.15958	1.5
192.14572	1.0
193.08542	1.3
193.12204	1.9
197.13301	4.7
199.11217	1.9
199.14851	2.5
200.11990	2.5
201.12715	2.6
201.16354	0.9
203.10686	1.8
203.14336	2.6
207.13745	2.4
209.15291	4.6
211.14786	1.5
213.12778	2.9
215.14302	34.0
215.17754	1.7
216.14697	2.4
217.12263	1.7
217.15849	1.1
217.19601	1.2
218.12979	1.4
219.13777	5.4
221.11652	3.4
225.16394	1.8
227.14343	1.2
229.15884	1.7
231.13828	6.9
235.13341	1.0
236.14069	2.6
239.14320	2.2
239.18001	2.2
241.15900	1.2
243.13795	1.4
243.17477	4.4
245.15372	0.9
247.13393	0.9
249.14798	5.7
253.19510	1.7
257.15359	1.7
261.18506	4.0
271.16919	10.1
271.20447	2.4
275.16412	5.2
281.18939	3.6
299.20041	22.7
300.20477	1.1
303.19553	1.2
317.21060	20.1
318.21481	2.5
321.20587	1.1
341.20898	0.9
359.22165	7.5
377.23190	44.5
378.23505	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	377.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64497	1.0
53.03938	3.3
53.14624	0.8
55.01862	5.8
55.05507	100.0
56.05832	2.3
57.03415	1.5
57.07071	7.7
63.08585	1.0
65.03909	1.3
67.05492	15.4
69.03443	1.2
69.07059	19.4
69.14713	2.4
69.15115	5.2
71.04986	2.4
71.08638	7.0
72.70908	0.9
79.05483	12.3
80.35914	0.9
81.03396	1.3
81.07050	29.2
83.04966	4.1
83.08614	48.2
84.08965	1.2
85.06515	3.1
85.10176	3.4
89.06029	7.1
91.05482	8.1
93.07037	14.3
95.04965	2.6
95.08598	13.3
97.06556	5.0
97.10139	1.9
98.22697	1.8
99.08076	4.6
105.07024	7.5
107.08597	7.8
109.06474	1.9
109.10134	4.4
111.08054	2.7
115.07561	2.7
119.08610	5.9
121.10130	9.7
123.08084	2.0
123.11711	1.3
125.09606	11.9
125.96756	1.1
127.34711	1.2
129.06996	1.1
131.08571	3.5
133.08569	2.5
133.10117	4.6
135.11676	10.8
139.11169	1.4
145.10069	3.4
147.11711	5.2
149.13219	3.8
151.09703	1.0
151.11131	1.3
157.10010	1.1
159.11682	2.3
161.13255	3.5
163.11180	1.6
163.14799	2.6
165.12724	2.2
171.11617	2.4
173.13234	2.0
175.14778	2.0
179.14279	1.8
181.15887	1.1
185.13350	1.1
189.12659	1.9
194.36833	1.1
195.12236	3.6
201.27881	0.9
202.86761	1.1
241.19423	1.6
250.82669	1.1
259.20575	3.9
277.18518	1.8
277.21606	27.2
278.21973	2.1
295.09631	0.9
295.22617	9.2
377.17484	2.8
377.30328	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
55.98377	0.8
57.07071	100.0
58.07398	1.5
63.68901	0.8
69.07059	4.9
69.28497	3.2
69.28910	1.6
71.08624	82.2
73.06542	1.3
77.99405	0.7
83.08641	1.2
85.09784	1.0
85.10175	44.6
89.06023	86.6
97.10163	1.6
99.11710	7.3
107.07080	5.8
111.11699	2.2
113.13280	3.6
115.08697	2.5
119.01642	1.3
125.13284	1.1
127.14816	2.9
130.08705	1.0
133.08594	38.1
151.09610	5.3
177.11212	7.5
183.21031	1.1
193.50090	0.9
195.12260	36.4
196.12613	1.4
237.16454	0.8
333.80118	0.9
360.01804	0.8
377.32495	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	378.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01866	4.6
57.03432	3.1
65.03933	3.5
67.05494	2.5
69.03423	9.6
70.87749	2.7
70.88084	1.7
71.04983	3.3
73.02885	1.9
78.81841	1.8
79.05485	17.3
81.03406	4.7
81.07055	50.0
83.01340	3.7
85.02894	9.4
90.53969	1.8
91.05477	23.1
91.32714	2.1
93.07040	5.3
95.04964	36.6
95.22858	1.8
97.02888	30.5
99.04455	5.1
107.04956	2.0
109.06516	74.8
111.04414	5.1
113.02383	5.9
115.03941	3.4
118.46776	1.8
119.04939	16.2
121.06480	3.6
123.04438	2.0
137.05969	100.0
139.03893	7.0
142.01872	1.9
143.03394	1.9
147.04404	30.6
155.07014	3.0
161.04407	8.6
165.05475	55.2
183.06514	51.6
191.89114	1.9
219.77794	1.7
240.92134	1.6
268.33862	1.6
291.94321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
69.03430	3.1
70.06586	9.7
70.74958	2.8
78.91190	3.1
79.05485	10.6
85.02901	4.1
91.05474	17.8
93.07047	3.1
105.07039	8.7
107.07930	3.9
107.08598	45.2
108.08852	2.5
109.06561	13.9
115.05444	6.7
117.07009	20.6
121.06548	2.9
129.23163	2.8
135.08043	85.3
137.06000	10.0
138.06244	4.2
139.06468	3.3
145.06487	5.6
163.07538	100.0
164.07919	3.1
164.18907	2.4
180.10121	4.0
181.08591	19.7
185.04272	7.0
215.57455	3.5
216.09000	3.4
271.93073	3.2
346.30539	3.7
379.09930	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46777	1.2
52.81956	1.1
53.03944	1.7
55.01859	3.0
56.74974	1.0
57.03420	2.3
61.02916	2.1
67.05495	2.7
69.03440	5.7
69.29715	5.7
70.06580	2.0
71.04993	1.7
79.05487	10.6
81.03415	2.4
81.07043	5.6
83.01327	2.9
85.02898	13.5
91.05455	8.3
91.87301	1.1
93.03400	1.5
93.07037	4.7
97.02891	4.5
97.06515	3.8
98.83795	1.2
99.04446	4.6
105.07024	5.7
107.04974	1.1
107.08589	35.4
109.02869	2.6
109.06519	3.7
115.05439	1.2
117.07009	6.4
121.06469	1.3
125.09624	1.8
127.03904	2.5
135.08043	32.8
145.04910	1.7
153.09073	2.9
154.06847	1.0
163.07529	100.0
164.07887	4.0
177.05492	2.3
180.08699	2.3
181.08586	70.5
182.09045	3.5
187.13393	1.2
199.09636	25.2
199.11406	1.9
335.10898	1.9
364.11844	1.3
379.09949	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.5
55.41920	1.2
61.02922	2.2
63.81882	1.1
63.90606	1.3
67.05512	2.1
69.03421	5.8
71.05008	1.7
71.43739	1.3
79.05490	10.1
81.03425	2.7
81.07050	4.5
83.01340	2.6
85.02905	9.4
86.09687	1.6
91.05476	6.5
93.03403	2.7
93.07010	2.1
97.02873	3.4
97.06529	1.7
99.04440	4.3
105.07028	5.8
107.08583	39.4
109.06511	2.9
115.05415	1.6
117.07014	5.8
119.06073	1.4
120.51229	1.2
125.09547	1.7
135.08044	37.0
145.04941	2.0
145.70833	1.4
158.31473	1.2
163.07538	100.0
164.07874	3.1
180.08635	1.6
181.08588	69.5
182.08961	1.9
199.09642	21.1
216.12251	1.4
216.16235	1.3
218.69255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3001
Annotation	Madangolide
Peak:m/z	Relative Intensity
51.02382	0.8
53.03913	0.6
56.69877	0.9
57.07081	7.2
58.06581	2.5
63.42509	0.7
67.11337	0.7
69.24802	3.3
70.06588	15.3
71.08629	3.5
77.03901	1.2
88.07626	22.0
89.99252	0.7
93.07084	0.8
95.04974	4.6
98.23501	0.9
102.09175	15.4
105.03389	62.6
105.04494	1.9
105.07011	1.3
106.03686	1.4
111.60229	0.7
120.98697	0.8
135.04405	8.8
149.05968	100.0
150.06299	2.6
159.08067	0.8
199.07474	0.7
204.23875	0.8
212.23752	0.8
219.21104	0.7
245.15346	0.8
256.26340	59.5
257.26752	3.4
281.25290	0.8
285.36517	0.7
370.08160	0.8
378.29990	81.3
379.15091	1.4
379.30414	6.2
397.11108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19920	0.7
56.90207	0.7
69.03432	1.1
70.02155	1.5
77.00607	0.9
83.08694	0.7
84.04507	1.2
85.02898	1.0
91.05473	3.0
95.01650	4.2
98.23431	0.8
132.18752	0.8
161.06129	1.2
173.05968	1.0
174.05481	1.1
175.07559	2.3
200.12808	2.7
202.16777	0.9
217.08411	1.2
227.05246	1.5
241.08572	1.0
257.11801	1.0
271.04211	3.1
293.10001	4.9
317.09818	0.9
331.37790	0.7
332.67325	0.9
335.11005	33.4
335.15005	1.8
336.11105	2.2
353.06638	0.8
379.09933	100.0
380.10312	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.02152	0.7
56.05034	0.8
59.67921	0.6
67.05492	0.9
70.06599	2.0
71.04986	1.2
71.06107	0.8
71.06921	0.7
71.43388	0.6
72.08162	4.5
80.61001	0.7
80.75427	0.6
81.07034	1.7
84.08138	0.8
85.02897	0.9
86.09708	1.6
87.04504	0.7
91.05484	0.9
93.07050	1.0
95.08617	1.8
109.06522	1.1
109.10139	0.9
117.03370	1.0
117.24931	0.6
119.08566	2.9
120.08124	1.6
121.10115	0.9
128.27603	0.6
130.56396	0.6
137.09592	0.7
137.72221	0.7
145.02826	3.4
172.10835	1.3
177.05470	7.2
178.20421	0.7
183.10179	1.5
185.04204	47.3
186.04561	1.5
217.04732	13.6
247.14543	0.7
337.55560	0.7
379.09973	100.0
379.19720	4.1
380.10309	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	379.1214
Annotation	Mefloquine
Peak:m/z	Relative Intensity
52.04777	0.4
56.90358	0.4
68.07864	0.5
69.09582	0.4
69.79634	0.9
98.23319	0.6
134.80209	0.5
148.92088	0.4
184.13489	0.5
214.21800	0.6
287.09241	1.3
321.11523	2.5
321.14795	0.4
361.11108	5.2
379.12112	100.0
380.12314	6.7
394.00626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2476
Annotation	Hirsutalin G, (rel)-
Peak:m/z	Relative Intensity
53.03935	2.4
55.05501	5.2
57.03228	1.3
57.03439	13.7
57.07053	1.6
61.21023	1.4
64.88998	1.5
67.05507	7.6
69.07049	5.1
69.33134	8.6
71.04967	2.6
73.06564	2.0
75.74805	1.6
79.05098	2.3
79.05492	22.6
81.07051	100.0
82.07413	1.7
83.04972	2.6
85.06506	9.6
91.05472	6.0
93.07046	13.4
95.04962	3.8
95.08602	13.5
97.06517	2.9
97.10173	1.9
99.04451	4.6
105.07025	12.7
107.08585	17.5
109.06501	22.4
109.10161	10.8
111.08064	3.0
113.06012	2.0
117.07037	1.6
119.08580	16.4
121.06496	3.2
121.10130	31.6
123.08048	5.3
123.11690	3.2
125.09619	11.8
125.24200	1.5
127.07543	10.1
131.08565	6.3
133.10120	20.4
135.08038	2.5
135.11693	9.7
137.09593	5.4
139.11220	2.0
141.09093	2.0
143.08568	4.1
144.09354	1.8
145.10121	9.8
147.11673	10.7
149.09601	3.5
149.13271	2.0
151.11211	4.5
157.10107	6.5
158.10857	2.3
159.11702	8.5
161.09601	2.4
161.13223	4.0
163.11154	3.3
163.14804	4.0
165.12711	3.1
167.14310	3.6
169.10223	1.5
170.10817	1.8
171.11656	6.3
173.09538	1.7
173.13322	12.5
175.11198	6.4
175.14822	18.5
176.11928	3.3
177.12711	6.4
183.11638	3.2
185.13232	7.1
187.11211	2.7
187.14818	2.9
189.12764	5.2
191.10719	2.1
191.14273	40.5
192.14687	2.8
193.12231	5.1
193.15964	3.3
197.13239	2.5
199.14790	7.2
201.16376	2.6
203.14290	5.7
205.12215	35.0
205.15936	2.4
209.13400	3.7
209.15356	8.5
211.14824	2.4
215.14348	1.9
219.13792	4.5
220.14571	17.6
221.15279	8.1
223.14871	1.8
225.16379	1.9
227.14290	2.4
227.17926	2.0
229.15904	3.4
237.14825	1.6
241.15988	1.9
241.19560	2.4
255.21082	6.0
259.20587	3.9
265.19415	2.1
273.22079	2.4
279.51001	1.4
283.20490	17.6
301.21579	38.4
302.21930	2.5
315.69958	1.5
319.18936	1.7
319.22641	31.3
320.23019	2.5
333.06195	1.6
361.23718	6.7
379.24677	8.4
379.32553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Epoxyisolinearol
Peak:m/z	Relative Intensity
53.03945	2.1
55.01869	1.0
55.05507	6.6
57.03436	18.7
57.07066	1.5
59.04989	0.5
65.03940	1.6
65.79846	0.4
67.05501	7.8
69.03417	1.1
69.07053	5.7
71.04980	1.5
73.06560	2.2
75.27254	0.4
77.03918	0.9
79.05490	22.5
80.05826	0.6
81.03412	0.5
81.07055	100.0
82.07389	2.2
82.97927	0.4
83.04984	2.0
83.08604	2.0
85.02885	1.3
85.06542	18.1
91.05476	6.1
93.07043	15.0
95.04967	3.0
95.08601	8.2
97.06539	1.9
97.10148	0.9
98.11179	0.5
99.04429	1.1
99.08087	3.8
103.05502	0.5
105.04526	0.8
105.07026	19.8
106.07295	0.6
107.08596	12.2
109.06514	29.2
109.10153	8.5
110.06824	0.8
111.08101	2.4
113.09618	0.7
115.07636	0.5
117.07022	1.9
119.08573	24.1
121.10140	97.1
122.10448	2.4
123.08068	11.0
123.11717	2.3
124.08453	0.5
125.09618	4.5
127.07552	33.6
128.06281	0.5
129.06987	1.3
131.08554	6.4
133.06502	0.5
133.07596	1.5
133.10123	29.4
133.56703	0.5
134.10471	1.0
135.08073	2.4
135.11690	8.9
137.05939	0.5
137.09596	6.9
137.13208	2.3
142.07793	1.4
143.08533	3.3
144.09341	0.9
145.10130	8.9
146.10873	1.5
147.08043	0.9
147.11681	7.8
149.09622	2.4
149.13275	1.5
151.11163	4.7
153.12889	0.5
155.08498	0.8
156.09338	1.3
157.10144	6.4
158.10905	1.7
159.08084	1.4
159.11679	7.7
161.09645	2.2
161.13255	2.0
163.11176	7.8
165.09126	1.0
165.12743	1.2
168.02637	0.5
169.10130	1.6
170.10840	0.8
171.08000	0.6
171.11674	5.2
172.12363	0.9
173.09645	2.9
173.13263	6.5
175.11237	7.4
175.14815	43.7
176.15228	2.7
177.12764	7.3
181.10162	0.6
183.11717	1.4
185.09612	0.9
185.13251	3.8
186.10342	2.0
187.09637	1.0
187.11169	6.6
187.14792	3.2
189.12677	2.9
191.14276	3.4
193.15877	79.5
194.16202	3.8
195.11731	0.6
196.12523	0.6
197.13242	2.3
199.11241	1.0
199.14821	2.0
199.45599	0.5
200.12030	1.2
201.12766	1.6
201.16330	1.1
203.14301	3.4
205.12204	1.2
207.13846	0.8
209.13289	0.9
211.14815	2.1
212.11940	0.7
213.12746	1.8
213.16394	1.3
215.14307	17.7
216.14644	0.9
219.13780	1.8
220.14722	0.9
221.13347	0.8
221.15302	2.5
223.14832	1.4
225.12848	0.6
225.16312	1.3
227.14398	1.1
227.17900	2.3
229.15863	1.4
231.17361	0.9
233.15363	11.5
236.15582	0.7
237.16539	1.1
239.14258	0.8
241.15863	1.8
241.19510	1.1
243.17448	2.4
244.17889	0.7
245.19052	1.4
254.16644	0.7
255.17421	1.8
255.21053	1.5
257.19012	0.5
265.19482	1.8
273.18460	1.5
275.16418	2.2
283.20505	6.3
287.20053	0.7
301.18085	1.0
301.21594	21.0
302.21909	1.3
303.19498	1.1
305.20993	0.6
319.22705	5.1
343.22632	2.9
361.23685	19.2
362.23547	2.3
379.24765	47.4
380.24930	4.0
381.55008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Asbestinin-26
Peak:m/z	Relative Intensity
53.03944	0.8
54.09444	0.7
54.12803	0.7
54.20758	0.7
55.01864	1.5
55.05510	5.2
57.03433	11.5
57.03707	1.3
57.07060	1.1
59.04978	1.0
67.05507	5.0
69.03412	1.6
69.07054	3.5
70.05072	1.7
71.04975	1.4
73.06541	1.7
79.05497	9.6
81.03408	1.9
81.07056	13.9
83.04980	49.9
84.05302	1.5
85.06536	2.0
91.05479	4.2
93.07045	7.2
95.04969	10.9
95.08604	6.3
97.06548	6.3
105.07030	15.8
107.04930	3.0
107.08584	7.3
109.06536	3.8
109.10140	3.2
111.08094	2.6
113.06003	2.9
117.07024	1.3
119.08574	12.6
121.10143	100.0
122.10466	2.7
123.08057	7.2
123.11703	3.2
125.05966	5.6
125.09619	0.8
127.07529	2.3
129.06996	1.6
131.08549	5.1
133.07646	1.5
133.10130	11.2
135.08034	0.8
135.11658	3.4
137.09634	2.7
137.13239	1.6
141.09100	5.2
143.07085	0.9
143.08585	4.2
145.10104	5.4
147.11710	5.6
149.09605	1.7
149.13232	0.9
151.11186	1.2
155.08513	1.6
156.09373	1.4
157.10101	5.4
159.11696	10.2
161.09584	0.9
161.13255	3.0
163.11148	1.7
165.12773	1.1
169.10135	3.6
171.11638	5.1
173.09590	2.0
173.13307	4.3
175.11215	1.3
175.14812	18.1
176.15176	1.7
177.12772	1.6
177.16365	1.5
179.14404	0.9
181.10179	1.9
183.11740	2.4
184.12521	0.9
185.13260	4.0
187.11179	1.7
187.14799	1.8
189.12756	1.3
191.14314	2.0
193.15878	28.4
194.16156	1.1
195.11609	1.6
197.13281	1.7
199.14841	4.9
201.11266	2.8
201.16374	3.2
203.14352	1.9
205.15901	2.1
211.14844	5.0
213.12796	1.2
213.16370	6.4
215.14392	1.1
215.17967	0.9
217.15977	1.7
221.15385	2.3
223.14774	1.6
229.15857	9.5
231.17409	3.3
239.17905	1.0
241.15866	1.0
249.18547	5.8
253.19418	1.5
265.19571	2.1
271.20493	1.8
273.22086	1.5
283.20541	4.1
289.21454	1.7
301.21600	14.1
302.21854	1.0
311.93759	0.8
316.23767	0.8
319.22729	2.8
324.33868	0.8
361.23706	3.7
379.24585	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05507	8.4
57.07070	1.3
59.04990	2.6
60.52014	1.2
67.05507	15.2
68.50352	1.1
69.07070	16.7
71.04996	7.5
79.05492	10.4
81.07056	23.3
83.04992	2.6
83.08607	3.4
84.05007	1.1
85.06545	6.2
91.05475	11.6
93.07040	24.3
95.04944	3.9
95.08603	13.6
97.06518	5.8
99.08070	1.7
105.07030	9.1
107.08595	21.3
109.06525	10.6
109.10139	5.0
111.08068	4.4
115.07597	1.3
117.07021	1.4
119.08581	9.8
121.06493	2.5
121.10157	9.9
123.08061	8.6
123.11694	4.6
125.06042	1.1
125.09637	2.4
131.08530	1.3
133.10150	5.3
135.08043	36.3
135.11676	7.7
137.05972	5.6
137.09650	2.0
139.07550	5.7
139.11169	1.3
143.08588	1.2
145.10106	3.8
147.11665	11.3
149.09612	4.2
149.13266	1.6
150.06760	2.4
151.07494	1.8
151.11198	2.2
152.08339	2.1
153.09100	2.0
153.12715	2.1
156.23669	1.2
157.10095	1.3
159.11717	2.1
161.09587	2.3
163.14857	1.9
165.09108	32.1
165.12798	7.9
166.09450	1.6
177.12740	20.7
179.10602	1.5
183.13837	6.1
187.13303	2.6
191.14273	2.9
195.13814	1.7
197.15390	9.7
201.14833	9.0
228.80559	1.2
245.19128	1.2
291.19540	3.5
305.21106	5.2
319.26395	1.3
323.22131	3.3
329.24689	2.1
347.25800	100.0
348.26105	6.7
379.28528	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	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26986	1.3
52.57256	1.5
53.96996	1.4
55.01894	1.5
55.05516	9.3
55.62637	1.2
57.07076	3.8
67.05498	16.8
69.07065	17.3
69.10402	11.0
70.06606	1.7
71.04991	7.5
71.08613	2.3
78.38086	1.2
79.05491	13.0
81.07055	26.6
83.04976	3.0
83.08624	3.6
85.06545	4.4
85.10201	1.5
87.04469	2.0
91.05476	9.9
93.07036	17.2
94.07401	1.6
95.04982	2.8
95.08598	16.9
97.06538	5.6
97.10165	2.3
98.06067	4.8
98.23414	3.7
105.07022	11.1
107.08588	18.5
109.06520	10.7
109.10149	5.2
111.08089	3.5
114.77734	1.4
119.08578	9.1
121.06516	2.0
121.10125	8.2
123.08075	6.7
125.06002	1.5
125.09632	1.4
131.08583	1.8
133.10158	3.3
135.08043	29.4
135.11681	9.7
137.05959	4.2
137.09579	2.1
137.13306	2.3
138.09117	2.5
139.07541	3.9
145.10144	3.6
147.11688	11.0
149.09634	4.4
149.13281	1.6
151.07518	1.9
151.11205	1.7
152.08388	2.1
153.09106	2.1
159.11725	2.4
163.11206	2.0
165.09102	24.9
165.12712	7.6
177.12735	20.7
179.14384	1.8
181.12209	1.8
181.15918	1.3
183.13765	8.0
191.14378	2.0
197.15361	10.5
201.14836	9.7
208.14667	1.3
215.16623	1.6
218.11833	1.4
247.26826	1.7
249.18417	1.4
263.20157	2.3
305.21127	2.6
319.26465	2.3
323.22122	3.4
329.24942	2.6
347.25803	100.0
348.26138	6.9
379.28427	14.7
380.35272	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01862	12.0
55.05503	24.9
57.03422	1.9
57.06785	1.9
57.07069	36.7
58.44230	1.8
67.05500	31.5
69.07067	39.6
70.59008	1.8
71.05014	4.6
71.08630	2.9
73.06562	2.3
77.35724	1.9
79.05489	22.9
81.07051	56.9
83.04970	9.6
83.08624	11.2
85.06536	19.8
89.06023	5.4
91.05473	19.3
93.07043	30.1
95.04968	6.8
95.08607	36.7
97.06516	12.9
97.10138	2.5
101.09642	2.3
105.07038	17.8
107.08592	31.3
109.06519	23.2
109.10141	13.3
111.04430	14.3
111.08083	8.1
117.07008	2.3
119.08562	16.6
121.06548	2.3
121.10149	16.6
122.10418	2.0
123.08071	17.2
123.11699	6.6
125.05957	10.9
131.08566	6.8
133.10114	11.6
135.08054	25.9
135.11690	12.9
137.05965	65.9
137.09599	4.4
139.07582	2.8
143.08545	2.7
145.10126	6.9
147.11722	11.9
149.09633	6.1
149.13269	4.8
151.07538	11.8
151.11174	5.4
152.08307	4.9
153.12737	5.9
157.10114	4.4
159.11658	4.1
161.09593	7.5
163.11226	4.3
163.14769	3.0
165.09111	13.0
165.12759	9.2
173.13266	2.1
175.11185	7.1
177.12672	11.0
179.10640	2.5
179.14384	3.5
179.33273	2.0
191.14221	2.0
193.12335	2.4
207.13777	8.1
215.41650	2.1
231.17590	2.8
233.19080	2.1
249.18568	2.9
263.20062	11.9
277.17938	4.7
291.19775	2.4
305.24884	2.0
319.26175	13.5
323.22397	3.5
329.24744	4.9
347.25793	94.3
348.25925	9.8
351.28912	33.9
352.29233	2.9
358.05301	2.4
361.27344	14.1
379.28394	100.0
380.28601	11.8
380.35141	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01863	6.4
55.05512	26.4
56.05043	2.8
57.07077	16.1
67.05505	28.6
69.03421	3.4
69.07060	27.1
70.06625	3.3
71.04987	3.5
71.08625	8.4
73.53516	2.6
75.90121	2.5
79.05496	20.2
81.07059	43.2
83.04974	8.9
83.08623	6.5
85.06563	16.9
87.04487	3.2
89.06024	4.3
91.05479	14.5
93.03014	2.9
93.07046	26.9
95.04961	6.9
95.08604	35.6
97.06526	16.8
97.10178	4.8
99.08070	3.6
105.07034	13.4
107.08598	34.5
109.06499	17.9
109.10184	14.5
111.04449	34.2
111.08083	6.8
119.08569	12.9
121.06483	4.5
121.10151	15.7
123.08075	11.6
123.11698	5.8
125.05975	22.4
129.06984	3.9
131.08586	4.1
133.08629	4.1
133.10117	10.4
135.08041	24.3
135.11685	19.6
137.05959	12.6
137.13252	4.9
139.07556	3.4
145.10123	8.4
147.11684	5.5
149.13287	3.3
151.07590	7.0
153.12761	6.1
163.11205	7.5
168.69276	2.8
177.12769	5.4
179.14311	7.3
181.12239	11.3
195.12209	3.6
195.13857	6.3
196.19633	3.1
217.05977	3.7
221.19011	4.6
231.15996	3.7
235.20731	3.8
287.23624	4.4
305.24728	92.7
306.24963	6.5
319.26266	21.8
329.24982	7.2
347.25803	100.0
348.26053	10.6
351.28964	24.2
361.27396	11.8
379.28497	34.5
380.29044	3.5
380.29935	3.9
380.35208	31.5
386.18039	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06139	4.6
55.05498	9.7
56.66676	5.8
67.05503	29.8
69.03426	32.7
69.72076	5.0
70.06577	8.3
70.25903	12.5
79.05492	5.9
80.60771	5.5
81.03422	7.4
81.07056	14.3
83.04985	25.9
83.50424	6.7
85.02905	30.0
91.05470	24.1
93.07040	32.9
95.04948	10.7
95.08585	13.2
97.02898	8.2
98.23346	6.5
99.04453	7.0
109.06503	8.7
109.10153	55.3
119.08564	36.6
121.06502	35.3
121.10174	7.6
123.08043	7.2
127.03883	7.7
132.04427	12.2
137.09579	30.2
147.04327	6.0
147.08041	17.4
165.09128	100.0
166.09386	6.3
183.10172	28.5
188.80856	4.9
191.31564	5.2
232.99857	5.5
273.54837	5.6
296.99573	5.4
306.09677	13.0
380.10199	30.6
380.17078	15.5
381.11609	74.0
386.62692	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	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50049	2.2
54.42417	2.2
55.05519	5.5
56.84617	2.5
58.19030	2.5
59.04976	2.6
67.05498	17.7
68.00299	2.3
69.03412	3.5
70.51681	3.9
71.04978	4.6
78.79612	2.2
81.07041	8.6
85.02893	9.3
87.37469	1.9
93.07029	9.3
95.04967	5.7
95.08593	41.9
96.51410	2.5
99.04435	4.8
101.04433	2.2
109.10139	68.9
112.43260	2.2
113.05959	3.2
119.08576	6.0
121.10181	3.6
137.09610	34.0
147.08032	4.8
155.10645	25.1
165.09103	100.0
166.09416	2.8
183.10153	72.5
201.11218	16.8
397.05487	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	12.3
69.03435	5.3
71.42193	1.6
72.71387	1.2
79.05507	2.1
81.07047	3.3
85.02893	2.3
91.05486	2.5
93.07063	3.3
95.04982	2.2
95.08589	10.6
97.97813	1.3
104.92934	1.5
107.08576	1.8
109.06512	4.8
109.10149	20.5
118.68715	1.3
119.08602	6.3
123.08062	37.9
130.05064	1.7
137.09607	33.5
147.08041	3.2
165.09105	100.0
183.10159	27.2
290.10260	2.6
361.07736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	13.2
69.03437	8.6
79.05492	7.9
80.36617	5.2
81.03403	12.6
81.07063	16.4
83.04990	7.9
85.02906	16.7
89.03950	5.7
91.05476	23.9
93.07058	12.2
95.04996	17.9
95.08604	40.6
95.31718	5.1
97.02935	8.9
97.06513	6.4
101.43589	5.0
105.06979	5.9
109.06520	18.4
109.10175	27.0
119.04980	7.2
119.08583	22.0
121.06504	7.0
125.05952	7.4
136.06215	8.9
137.05989	28.6
137.09616	100.0
147.04399	12.1
149.05925	7.0
150.98053	6.1
165.05473	22.0
165.09081	33.4
167.07047	16.0
183.06499	23.3
183.10213	13.1
200.55855	5.1
235.88095	5.2
349.18643	5.4
363.06378	31.8
380.09149	26.8
381.07251	18.3
381.11557	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	380.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.1
57.07045	4.2
67.05509	17.3
69.07091	27.0
69.98731	10.6
69.99079	5.1
70.06617	5.0
71.08607	4.5
72.08154	100.0
77.31581	4.1
79.05489	13.1
80.99227	4.0
81.07050	28.9
83.08607	10.8
90.09196	16.2
91.05485	17.0
93.07046	19.5
95.08608	28.3
98.23407	6.0
101.09629	6.7
103.44147	4.3
105.07034	52.7
107.08562	21.1
109.06528	7.3
109.10170	16.5
117.07003	5.7
119.08569	24.5
121.10161	6.1
131.08551	22.6
133.10129	19.5
135.11681	5.7
141.12726	4.6
143.08546	8.0
145.10109	28.9
147.11717	8.6
149.13219	9.0
155.08577	9.5
157.10106	18.7
159.11633	21.7
161.09660	5.4
161.13255	10.6
165.12778	9.9
169.10126	11.7
171.11731	9.5
173.13248	21.2
175.11215	8.0
175.14813	8.1
183.11656	8.7
185.13252	8.0
187.14836	6.5
195.75023	4.7
197.13232	6.0
201.16405	7.8
211.14763	10.7
216.73524	4.5
218.04453	7.8
229.15919	26.1
257.22647	13.4
267.21021	14.3
285.22147	51.7
322.10678	4.4
330.40689	5.2
335.25754	10.5
380.31668	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54015	5.7
55.05509	25.6
57.03429	9.2
59.72789	5.0
60.17508	6.6
67.05514	16.0
69.07076	29.6
70.67368	5.6
70.67698	8.5
79.05486	24.2
79.82563	5.0
81.07051	86.7
82.07386	17.5
83.04990	10.7
85.06504	5.9
91.05493	5.4
93.07053	21.6
94.15123	6.1
95.08605	39.9
97.10202	8.6
105.07025	30.8
106.07339	7.1
107.08584	27.8
109.06512	12.4
109.10159	41.5
111.11742	10.6
117.07082	7.5
119.08564	45.6
121.10143	50.3
122.10498	25.9
123.11721	13.0
127.07570	12.2
131.08543	11.8
133.10100	36.0
134.10457	7.2
135.11697	16.7
137.92038	5.1
145.10123	21.5
147.11690	68.6
149.13271	26.2
159.11682	29.3
161.13242	54.7
163.14815	9.2
164.11476	5.9
166.17575	5.7
173.13264	26.1
175.14844	31.3
176.15173	16.3
187.14838	13.0
193.12215	38.3
193.15903	18.6
194.16182	26.1
201.16414	19.4
207.13768	34.6
218.04327	7.3
219.13808	12.0
221.15387	14.1
233.15302	9.4
247.16830	5.6
257.22623	100.0
258.22873	7.2
285.22034	9.4
302.22052	15.5
303.23242	34.1
304.23538	9.0
362.23877	11.0
380.24753	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	380.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05513	3.6
56.05018	0.9
57.07074	4.2
65.40374	0.3
67.05157	0.4
67.05500	5.5
68.05015	0.9
69.03426	3.4
69.07064	6.0
70.06587	9.9
70.25695	0.4
70.26035	0.6
71.08290	0.4
71.08616	2.0
72.54261	0.2
76.87865	0.3
79.05486	1.4
80.04992	0.3
81.07052	10.2
82.06586	0.9
83.08613	3.2
84.04479	0.8
84.08144	0.8
85.10178	0.5
86.06063	5.4
87.04462	7.9
89.89703	0.3
91.05466	0.4
93.07039	1.1
94.06577	0.5
95.08604	8.9
96.08117	2.1
97.10158	1.6
98.06047	19.4
98.09664	0.3
99.06360	0.5
105.07004	0.4
107.08573	0.3
109.06516	0.3
109.10141	2.5
110.09696	1.7
111.11729	0.9
112.07592	2.8
112.11195	0.4
114.05513	0.5
116.07086	0.8
118.36428	0.3
118.73689	0.3
119.08498	0.3
120.08108	0.7
123.11683	1.5
124.07578	2.1
124.10343	0.3
128.93871	0.3
138.09129	8.4
142.08727	0.3
156.10210	2.2
218.04500	0.7
273.03104	0.3
294.31506	0.9
380.35193	100.0
381.15771	0.3
381.24420	1.0
381.35492	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	380.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05295	0.3
55.05511	3.2
56.05025	1.0
57.07071	3.7
67.05149	0.4
67.05499	4.4
68.05019	0.7
69.03075	0.3
69.03432	3.8
69.06709	0.4
69.07066	5.5
70.06588	10.1
70.53854	0.6
71.08620	1.5
73.86037	0.3
79.05507	1.3
79.68613	0.3
80.01866	0.2
80.02364	0.2
81.07054	8.9
82.06556	0.9
83.08628	3.0
84.04492	0.9
84.08150	0.9
85.10147	0.3
86.06066	6.3
87.04465	7.7
91.05452	0.3
93.07027	1.0
94.06560	0.7
95.04941	0.3
95.08604	8.5
96.08132	2.2
97.10168	1.6
98.06051	17.4
98.09721	0.3
99.06393	0.4
102.05506	0.3
107.08615	0.3
109.06479	0.3
109.10146	2.8
110.09671	1.2
110.10352	0.2
111.11707	0.7
111.22868	0.2
112.07615	2.0
112.08377	0.4
112.11240	0.5
113.60056	0.3
114.05537	0.7
116.07064	0.5
120.08089	0.8
123.11692	1.6
124.07594	2.3
137.06049	0.3
138.09132	7.8
138.10158	0.5
145.10101	0.3
147.93840	0.3
152.10789	0.4
154.08684	0.4
156.10184	2.1
294.31558	0.8
362.34186	0.4
380.35205	100.0
381.35565	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	381.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35137	33.1
56.96554	58.7
81.02739	36.6
93.19391	35.6
98.97585	92.9
105.07089	47.7
111.27679	45.4
114.57849	35.4
116.98618	68.9
120.08097	54.5
121.05244	37.4
128.98616	59.5
140.77283	39.8
166.88692	38.8
175.48383	36.6
211.02817	42.6
219.01770	80.7
237.02821	100.0
273.02774	69.0
381.04910	70.4
392.61316	39.0
399.06061	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87962	5.1
55.05513	12.7
56.05029	7.0
56.96569	22.0
67.05512	7.8
69.03438	8.2
70.06593	41.9
70.35288	9.0
71.52963	4.8
72.08153	59.5
80.46376	5.5
84.08138	13.9
85.02922	5.8
91.05479	14.9
93.07043	7.5
98.97587	22.0
109.10170	12.8
110.07157	20.3
110.97576	7.9
112.08777	5.8
116.98643	9.3
119.04919	13.4
119.08572	5.2
120.08123	15.2
120.49454	4.6
126.01058	6.4
128.98605	7.3
129.10277	6.1
136.06210	6.5
136.07568	10.9
137.09650	6.7
147.04419	31.0
161.01257	6.7
162.10023	4.9
164.05209	5.0
165.09146	17.4
166.09462	5.6
171.14903	16.6
177.05365	8.4
181.99113	6.6
199.14420	8.4
200.98747	6.4
201.03732	17.2
207.06538	14.5
218.04430	26.6
218.99678	12.3
219.06322	5.2
237.00714	100.0
237.02882	10.8
239.02313	8.9
249.09816	5.4
255.01711	29.6
257.03326	11.5
261.00757	14.5
279.01730	29.5
322.10614	11.1
330.34946	6.5
363.03662	7.6
381.05881	27.7
381.12045	25.6
381.16129	9.5
382.15402	7.6
399.05960	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14931	2.5
57.37911	2.5
65.39548	2.3
70.57340	4.9
78.87987	2.2
154.12822	2.5
201.01637	3.1
219.02693	4.0
310.57620	2.4
350.41943	2.6
381.07925	100.0
382.08368	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60004	2.7
69.19628	19.1
71.61935	2.7
87.84442	3.1
174.76915	3.3
211.93565	3.5
288.77411	3.4
336.80505	3.4
371.34280	3.5
380.82220	3.5
381.07916	100.0
381.43655	3.7
382.08398	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	381.1907
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
55.01875	4.7
55.05513	2.3
56.72956	1.2
57.03438	45.1
57.25953	1.1
59.05001	2.0
65.03928	2.6
67.05496	3.3
69.03429	14.8
69.07071	2.1
69.62506	3.4
69.62885	3.4
71.01357	8.8
71.05003	7.8
79.05486	6.6
81.03432	3.3
81.07043	3.7
83.04996	5.6
85.02943	1.9
91.05475	6.9
93.03406	2.9
93.07047	5.6
95.04958	4.1
95.08613	7.2
97.06506	3.4
98.23378	2.6
99.04459	18.7
100.49899	1.7
105.07044	12.2
107.04916	2.3
107.08600	7.6
109.02876	2.3
109.06521	4.2
109.10186	2.7
111.04483	2.1
113.06004	2.2
116.74041	1.3
117.07027	4.3
119.04957	2.1
119.08570	16.4
121.06499	4.6
121.10133	5.9
123.08091	4.7
125.06000	5.1
127.03937	3.8
128.06229	3.3
129.07008	5.5
131.08545	8.9
133.06476	3.3
133.10130	17.2
135.04446	2.0
135.08072	5.4
135.11685	2.0
137.05933	2.2
137.09625	8.5
141.06998	2.5
142.07790	3.6
143.08562	12.0
145.06477	3.7
145.10123	10.9
147.08044	6.6
147.11667	7.4
149.09657	4.5
149.13342	1.9
151.11212	4.0
155.08588	4.3
156.09366	8.4
157.10143	14.4
158.10817	1.6
159.08090	8.2
159.11653	8.3
161.09610	42.6
161.13251	4.3
163.07513	2.7
163.11174	4.9
165.06967	2.5
165.12683	1.5
166.07849	1.6
167.08598	4.3
168.09337	3.3
169.10146	4.7
170.10883	2.9
171.08080	2.1
171.11667	18.0
173.09619	7.7
173.13182	9.8
175.07582	1.5
175.11195	20.7
177.09125	2.4
177.12761	4.0
179.10655	7.7
180.09412	1.7
181.10135	5.8
182.10959	3.8
183.08107	2.2
183.11667	6.7
185.09599	5.2
185.13290	6.2
187.07587	4.7
187.11243	6.2
187.14795	2.8
189.09113	2.7
189.12741	14.7
191.07002	2.0
191.10614	2.6
191.14314	5.2
193.10141	1.5
193.12157	4.7
195.11703	5.3
196.08873	1.9
197.09729	2.5
197.13223	7.1
198.10486	1.7
199.11153	6.8
199.14876	1.9
201.09087	2.2
201.12746	5.8
203.10696	3.4
203.14455	2.8
205.12335	2.1
207.11888	2.7
207.13855	5.1
210.10439	3.9
211.11244	4.0
211.14864	1.9
213.12802	9.4
215.10733	4.3
215.14359	3.2
217.12202	13.7
219.13815	9.2
223.11285	2.3
225.12711	9.5
227.14325	5.6
229.12270	5.6
229.15852	3.4
231.13838	5.5
233.11880	1.6
235.13191	8.8
241.12305	5.4
243.13794	8.8
245.15367	3.2
253.12184	5.8
255.13797	4.3
257.11624	3.3
259.13300	5.8
261.14877	3.2
263.16565	7.0
271.13293	10.5
271.16837	4.3
273.14902	3.9
277.14197	2.8
281.15228	3.1
287.12827	1.6
289.14676	2.9
289.18002	10.5
291.15918	5.2
299.16370	3.0
307.19016	10.8
317.17471	82.4
318.17792	5.0
322.10919	1.6
327.15881	4.0
335.18512	100.0
336.18896	6.0
345.16983	48.0
346.17468	3.0
363.17999	50.8
364.18225	2.3
381.18973	5.2
384.39993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45758	31.9
53.83490	31.7
60.84924	34.3
69.92789	100.0
69.93150	48.5
79.05483	40.1
80.35246	29.4
81.07047	45.3
117.01195	39.3
119.08601	35.4
130.65221	32.3
133.10057	49.3
135.08112	39.5
135.11649	39.0
159.08054	90.8
183.11758	38.4
303.23291	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2637
Annotation	Pacificin H
Peak:m/z	Relative Intensity
53.03949	1.5
55.01868	4.2
55.05508	11.8
57.03435	3.9
57.07076	5.8
63.47455	1.2
65.03960	1.7
67.05505	12.6
69.03442	2.3
69.07070	10.7
69.56717	3.1
71.04984	2.8
71.08623	12.1
75.04491	1.7
79.05482	11.5
81.07053	22.1
83.04990	2.1
83.08619	2.8
85.06550	2.9
91.05472	10.3
93.07039	17.7
95.04964	23.4
95.08604	18.4
97.06521	5.6
97.10210	2.1
98.22595	1.1
99.08111	6.6
105.07024	13.1
107.04910	1.2
107.08592	9.7
108.05667	1.0
109.06520	33.3
109.07219	2.3
109.10136	4.1
111.08118	2.1
117.07027	3.7
119.08572	8.4
121.06503	17.7
121.07330	1.5
121.10107	5.6
123.08071	5.2
131.08557	6.3
133.06548	1.4
133.10170	5.1
135.08040	7.3
135.11707	1.5
137.09651	3.8
145.10117	7.0
147.11673	3.9
149.09615	2.2
149.13339	2.2
155.08551	1.9
157.10149	1.4
159.11630	3.1
161.13358	1.4
163.11148	8.6
165.12749	87.1
166.13120	3.8
168.07751	1.9
171.11803	1.3
172.08913	1.3
173.13309	4.3
175.11108	1.7
177.12775	4.0
179.14322	1.4
181.15871	3.3
183.11691	1.6
189.12878	1.3
191.14278	19.3
194.15559	1.2
201.12761	1.2
205.15907	2.4
218.04488	17.8
219.04668	1.3
221.15353	1.4
233.52554	1.2
235.07176	2.1
239.67143	1.3
261.22134	12.2
271.20624	4.0
279.23212	2.1
289.21616	100.0
290.21930	6.6
307.22641	10.6
322.10721	9.7
339.13443	1.9
362.49969	1.2
363.25473	5.8
364.12967	4.3
381.15701	12.2
381.26385	47.0
382.26666	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2636
Annotation	Pacificin H
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	4.3
55.05298	2.4
55.05510	25.5
55.89526	2.3
57.01003	2.4
57.03425	13.7
59.04996	3.0
60.93358	2.7
62.88645	2.3
67.05502	17.1
69.03422	6.3
69.07069	21.2
69.58321	11.1
71.05007	4.9
71.08621	9.6
79.05489	35.0
79.57893	2.5
81.07056	100.0
83.04974	4.8
83.08605	23.7
85.06558	13.3
87.04442	2.6
91.05464	13.7
93.07045	19.7
95.04965	20.5
95.08611	24.5
97.06532	26.4
97.10155	2.8
99.08099	9.9
105.07033	20.8
107.08577	26.4
109.06519	14.3
109.10147	21.6
111.08068	4.6
113.09629	6.1
117.00513	2.3
117.07020	5.4
119.08597	20.1
121.06537	4.4
121.10119	21.7
123.08054	8.5
123.11720	15.3
125.09621	7.2
126.24342	2.5
128.06140	3.9
129.06976	5.9
131.08572	11.6
133.10103	17.9
135.08020	11.3
135.11693	10.4
137.05948	8.5
137.09657	5.1
137.13249	4.2
139.11200	6.1
141.06946	3.2
142.07755	3.6
143.08582	13.0
145.10118	17.3
147.08066	6.6
147.11671	7.2
148.89363	2.6
149.09586	8.1
149.13173	3.1
155.08607	3.3
155.10617	3.5
156.09386	3.7
157.10103	16.4
159.08069	10.0
159.11684	16.0
161.09554	5.7
161.13272	7.8
165.12752	19.2
167.08429	2.7
168.07684	4.1
169.10080	6.1
170.10783	3.0
171.11670	11.9
172.08806	2.9
173.09636	6.5
173.13258	10.1
175.11191	6.8
175.14850	5.9
177.12759	6.9
177.16345	7.4
179.08446	4.1
179.14311	5.3
183.11760	5.6
185.13216	11.1
187.11188	9.9
187.14726	5.5
189.12642	6.8
189.16377	5.6
190.04906	3.3
191.14359	3.7
193.15817	3.4
195.11772	5.0
195.13771	7.1
197.13303	5.9
199.14774	3.9
201.12798	4.6
201.16428	7.3
203.14302	12.8
204.15057	8.4
205.15848	24.3
210.08421	2.7
211.14749	4.1
211.98758	2.4
213.12701	7.1
213.16360	3.0
215.14302	20.0
215.17892	5.6
217.15868	10.5
218.04463	41.2
221.13364	2.7
221.15421	8.0
223.17012	5.5
227.17891	4.0
229.15901	6.3
233.15314	16.2
235.07072	3.2
241.19423	4.4
255.17485	2.9
257.18912	2.9
261.13019	3.0
267.21249	3.7
273.22104	9.4
285.22110	32.0
289.21622	4.6
298.19458	4.5
303.23218	42.7
304.23431	4.6
307.22589	8.7
321.24478	13.2
322.10596	18.9
339.13339	3.8
348.26508	4.7
357.09628	2.8
363.25299	9.0
364.12915	10.4
381.15631	24.9
381.26721	15.9
382.26123	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91444	2.8
55.05514	25.4
57.03420	3.3
57.07080	15.6
63.48744	2.6
65.01645	2.8
67.05497	25.7
68.05804	3.0
68.62618	3.2
69.07058	33.8
70.06606	4.1
71.05009	3.9
71.08628	25.1
79.05481	18.5
80.00856	2.6
81.07053	41.9
82.07420	3.3
83.04980	4.9
83.08629	13.4
85.06532	4.3
87.04409	2.7
89.06023	7.5
89.90053	2.5
91.05481	12.6
93.07052	23.9
95.04958	4.0
95.08591	44.1
96.08919	3.4
97.06494	5.4
97.10157	7.1
98.06042	5.2
98.23440	5.9
99.08079	22.2
105.07031	14.6
105.11622	2.8
107.08590	26.5
109.06522	13.0
109.10165	17.3
111.08097	7.6
119.03667	2.8
119.08576	16.4
121.06499	5.8
121.10155	15.0
123.08065	49.8
123.11695	7.4
125.05914	4.0
125.09586	4.0
131.08571	5.8
133.10146	17.2
133.11037	3.7
135.08049	13.3
135.11676	10.2
137.13280	3.0
142.36731	3.0
145.10103	4.5
147.11664	6.4
149.09601	3.9
149.13303	4.2
153.12743	12.0
159.11716	5.8
163.14824	3.4
165.12712	6.6
167.14346	4.9
168.07675	4.5
170.77295	3.0
175.14703	3.2
179.14285	57.8
189.16359	4.3
191.14319	5.1
218.04491	40.9
251.20073	18.4
275.19904	3.2
293.21069	15.2
293.28360	6.3
298.06070	3.5
303.26819	18.2
313.25122	4.2
321.27664	8.5
322.10754	24.3
331.26297	77.1
332.26758	3.2
349.27310	100.0
350.27722	10.1
355.78207	3.5
363.28928	55.0
364.12827	8.8
381.15625	27.8
381.30304	5.5
381.35501	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02137	1.6
70.55162	2.0
79.05481	6.0
81.03417	28.7
83.04993	2.3
85.02896	1.5
91.05480	2.5
93.07037	6.0
95.04958	6.0
97.06523	5.0
99.65636	1.7
100.70448	1.5
107.04934	9.3
109.02866	8.4
121.06503	30.3
125.05965	8.8
139.07549	3.3
149.05969	36.5
149.41663	1.4
167.07031	100.0
168.07419	3.0
179.38168	1.9
195.34052	1.5
229.66542	1.7
399.77621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03100	1.4
58.86231	1.5
70.98793	2.6
73.62733	1.5
79.05499	5.9
79.55701	1.8
81.03410	30.2
83.04986	2.7
85.02879	2.1
91.05479	2.9
93.07047	10.4
95.04964	3.5
97.06516	5.5
107.04931	9.8
109.02879	8.8
121.06498	25.5
125.06004	5.7
139.07565	4.3
149.05962	35.3
167.07034	100.0
168.07376	3.0
195.12630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
70.90591	2.3
77.85834	1.9
78.09614	1.7
79.05506	7.6
81.03408	29.7
83.04977	3.1
85.02898	2.5
91.05483	2.9
93.07040	8.6
95.04967	3.4
97.06555	4.7
105.04569	2.1
107.04968	10.4
109.02887	8.2
121.06511	27.7
125.05993	7.9
127.63406	1.9
139.07524	2.6
149.05974	36.0
167.07036	100.0
168.07344	1.9
185.08124	2.2
235.41153	1.9
280.09088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17194	2.3
52.88484	2.3
53.03944	7.2
53.48840	2.4
55.01871	9.5
57.03430	9.6
58.47066	1.9
61.02930	5.6
68.99799	4.9
69.03071	2.6
69.03428	41.0
71.05001	5.1
73.02910	10.7
79.05512	2.4
81.03423	31.7
85.02901	100.0
87.00826	45.1
88.02182	2.2
91.03957	2.3
91.05444	2.6
93.07040	2.7
97.02892	47.5
97.06477	2.2
99.04444	19.5
99.08108	2.9
100.46526	2.0
105.01860	66.3
105.02541	4.4
105.07038	6.9
109.02880	32.7
109.39694	2.1
111.04443	3.5
117.01843	4.1
117.09142	7.7
121.06532	5.2
127.03918	75.4
129.01820	3.7
133.06505	6.1
140.55139	2.5
145.04945	32.3
147.02884	3.9
150.31369	2.1
159.02878	20.3
161.06001	17.8
163.07591	3.1
167.07042	3.6
167.94246	2.3
179.07127	2.5
185.11807	2.6
189.03906	3.0
197.09567	3.7
209.01761	2.0
213.03995	3.0
225.09131	8.6
231.04927	18.8
243.10213	11.6
249.06017	3.7
261.11115	2.6
364.10916	10.1
382.15567	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17194	2.3
52.88484	2.3
53.03944	7.2
53.48840	2.4
55.01871	9.5
57.03430	9.6
58.47066	1.9
61.02930	5.6
68.99799	4.9
69.03071	2.6
69.03428	41.0
71.05001	5.1
73.02910	10.7
79.05512	2.4
81.03423	31.7
85.02901	100.0
87.00826	45.1
88.02182	2.2
91.03957	2.3
91.05444	2.6
93.07040	2.7
97.02892	47.5
97.06477	2.2
99.04444	19.5
99.08108	2.9
100.46526	2.0
105.01860	66.3
105.02541	4.4
105.07038	6.9
109.02880	32.7
109.39694	2.1
111.04443	3.5
117.01843	4.1
117.09142	7.7
121.06532	5.2
127.03918	75.4
129.01820	3.7
133.06505	6.1
140.55139	2.5
145.04945	32.3
147.02884	3.9
150.31369	2.1
159.02878	20.3
161.06001	17.8
163.07591	3.1
167.07042	3.6
167.94246	2.3
179.07127	2.5
185.11807	2.6
189.03906	3.0
197.09567	3.7
209.01761	2.0
213.03995	3.0
225.09131	8.6
231.04927	18.8
243.10213	11.6
249.06017	3.7
261.11115	2.6
364.10916	10.1
382.15567	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09820	7.1
55.01869	9.3
55.05510	16.0
67.05503	18.4
68.25510	6.7
68.76594	6.0
69.03430	35.9
69.07066	26.5
69.55479	23.8
70.06580	15.2
71.05003	33.9
79.05491	40.2
81.03445	7.7
81.07047	21.9
83.04980	8.1
83.08617	10.9
84.80491	7.0
85.02913	51.4
85.06553	6.3
87.04471	27.0
90.92993	7.3
91.05493	14.0
93.07050	54.2
95.08591	38.7
97.02888	25.1
99.04469	7.6
105.01852	8.1
105.06967	7.8
107.04906	8.3
107.08585	11.6
109.02926	7.3
110.07156	13.6
111.04451	9.7
111.08077	10.2
115.03924	30.5
117.94912	5.8
121.10123	85.2
123.07973	8.7
125.05985	7.4
127.03926	11.8
129.05573	8.1
136.06113	8.2
139.11163	67.7
145.04936	12.0
146.06015	9.0
149.09618	26.1
157.12212	87.3
163.07555	21.4
167.10667	79.8
177.05443	9.1
185.11723	100.0
188.06993	8.6
203.12759	62.3
243.10149	11.4
261.11234	13.9
289.27399	6.9
312.30017	7.4
382.19080	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92380	1.4
55.05502	11.8
57.03425	3.0
59.04997	2.1
61.02926	2.4
67.05495	2.6
69.03426	6.0
69.06705	2.9
69.07063	30.6
70.06590	9.5
70.86975	1.9
70.93667	1.9
71.04987	1.6
73.02914	1.9
79.05493	2.9
81.03423	2.3
81.07051	11.2
82.73591	1.4
83.04990	3.0
85.02897	15.1
93.07031	3.9
95.04967	2.1
95.08595	6.1
97.02913	9.3
97.06532	6.4
97.10166	44.7
99.08109	2.0
105.07025	2.0
107.08588	1.8
111.11707	19.2
112.08723	2.6
115.11156	3.0
119.08562	2.0
121.10177	9.0
123.04464	1.9
126.01077	5.1
127.03915	4.5
139.11165	51.1
139.84029	1.4
144.67140	1.5
145.04991	4.1
147.11717	1.5
157.12231	64.4
158.12566	2.0
173.08218	1.7
173.09688	1.6
177.02374	1.5
180.08669	5.1
185.11732	2.9
203.12769	100.0
204.13124	4.6
209.05806	1.5
211.07552	2.0
218.04616	1.9
264.30856	1.4
304.09549	4.7
322.10715	2.3
336.12180	6.5
351.08438	3.6
365.11533	2.1
382.13126	6.6
382.22009	2.4
383.12244	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	382.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.4
57.03443	43.4
65.79471	9.7
67.05492	20.8
69.03416	22.7
69.07074	14.7
70.06580	28.5
71.04952	9.3
72.62709	9.5
74.91031	8.5
79.05480	14.3
81.03425	15.6
81.07046	26.7
83.04967	18.4
85.02894	11.4
85.06531	9.9
89.96967	8.0
91.05489	20.8
93.07040	34.0
95.08576	19.8
97.02857	12.7
97.06540	12.5
99.04460	13.8
105.07004	28.8
107.08559	27.9
109.06533	15.9
109.10137	12.2
111.04427	28.2
114.08237	8.6
117.07057	11.9
119.08566	30.0
121.06453	8.6
121.10133	22.7
123.08099	13.3
123.11755	10.4
127.03828	9.3
128.00745	16.2
131.08562	21.8
133.10109	32.5
135.08047	19.4
136.06168	13.5
137.09576	21.3
139.03885	13.2
143.08569	19.8
145.10091	24.8
147.08057	15.5
147.11678	10.8
149.09694	12.6
155.08588	9.0
157.10083	18.7
159.11696	24.9
161.09566	35.8
163.03845	21.0
169.10103	14.5
169.15048	8.5
171.11707	25.7
173.09679	19.1
173.13239	14.6
175.11226	23.6
177.12697	11.7
183.11641	10.6
185.13185	12.6
187.11310	11.2
189.12706	29.0
191.14285	9.7
193.15819	10.9
195.11639	11.6
199.11121	17.1
203.14394	10.7
205.08569	8.9
213.07056	13.8
214.13338	14.7
217.93796	10.7
233.15436	11.6
245.15375	15.3
251.16460	32.2
263.16415	100.0
264.19455	14.8
269.15359	10.0
285.95584	8.9
308.19391	10.2
318.17883	35.4
329.17328	71.5
336.19003	51.7
338.23215	61.3
346.17200	23.2
347.18732	49.8
364.18225	19.4
365.19522	31.8
380.61621	10.9
382.18234	40.8
382.25693	66.1
383.16342	27.2
389.46881	9.3
408.69971	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	382.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95675	6.7
55.01849	16.3
55.05495	11.4
55.23270	8.2
57.03436	46.3
67.05506	14.1
68.63196	6.0
69.03440	11.0
69.07089	9.7
69.48331	31.3
72.95914	6.1
79.05489	13.1
81.03403	15.2
81.07054	16.1
83.04971	29.3
85.02929	8.2
90.32705	6.1
91.05458	8.9
93.07045	25.5
95.04975	16.5
97.02896	16.0
97.06518	11.0
105.07014	20.4
107.08571	12.7
109.06512	8.8
109.10167	16.9
111.04444	15.0
119.08570	26.3
121.02872	8.5
121.06532	13.0
123.08066	11.6
128.06154	7.4
131.08548	25.7
132.08868	7.5
133.06479	9.6
133.10135	30.9
135.08034	19.5
137.05885	8.5
137.09630	13.3
138.71799	6.0
139.03838	8.3
140.55110	7.9
142.07784	6.8
143.08537	22.4
145.06494	9.2
145.10124	25.7
147.08028	15.6
147.11667	21.4
149.06099	7.2
149.09651	12.6
151.11116	10.6
155.08469	9.3
156.09241	6.8
157.10152	17.1
159.08008	12.8
159.11699	22.0
161.09625	47.3
161.13246	14.3
171.11671	19.9
173.09662	14.1
173.13228	18.1
175.11107	22.6
177.09042	7.2
177.12708	19.5
179.10698	10.4
183.11569	7.8
185.13278	24.6
187.11136	9.1
189.09064	8.4
189.12708	35.6
191.14252	17.0
199.11269	9.9
201.08893	8.6
201.12706	14.9
205.08572	9.9
207.13849	21.5
213.12756	12.6
217.12216	22.1
219.13705	9.5
227.14323	18.1
228.14784	6.9
231.13641	12.6
234.06818	13.4
235.13341	10.0
245.15266	18.0
251.16452	65.5
263.16388	100.0
264.16803	9.4
283.16837	14.5
301.18134	12.7
305.08032	19.5
308.06995	8.9
311.16467	30.3
314.94583	7.5
321.07538	8.0
323.09076	15.6
329.17413	91.0
347.18524	65.4
348.18802	9.3
351.08517	61.0
365.19623	9.2
383.10938	15.8
383.53064	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	382.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09216	3.2
51.55358	3.6
51.55624	4.0
52.67402	3.6
55.05504	4.1
57.03430	13.4
57.12656	4.7
66.23586	3.6
67.05495	8.7
69.03417	5.6
70.06588	9.3
79.05503	5.8
81.03436	4.3
81.07058	11.7
83.04964	15.0
91.05463	6.8
93.07044	10.8
95.04971	8.5
95.08592	11.5
97.02866	6.9
98.23523	7.9
105.07034	17.7
107.08605	10.1
109.06523	6.1
109.10186	5.5
111.04473	18.3
117.06989	4.2
119.08566	17.8
121.06493	7.5
121.10104	8.1
123.08070	4.7
125.06033	4.2
125.09628	3.9
126.68697	4.1
131.08534	8.2
133.10149	12.7
135.04366	3.9
135.08051	10.8
135.11655	6.3
136.63771	4.0
137.09612	7.7
139.03879	13.1
140.12041	4.2
143.08592	6.5
145.10124	9.3
146.06003	5.0
147.08032	6.8
147.11708	7.9
149.13228	4.1
152.14391	5.6
157.10136	11.8
158.98846	4.2
159.08070	5.3
159.11668	12.4
161.09633	24.3
161.13269	7.7
171.11656	8.5
173.09569	6.3
173.13274	4.2
175.11169	9.6
179.10690	4.9
183.11745	6.2
183.91399	4.2
185.13246	9.3
186.13904	7.2
186.39844	4.0
189.12744	15.6
191.14262	9.4
199.11211	5.8
199.14729	7.3
207.11775	5.0
207.13719	3.9
213.12798	5.8
215.14198	3.9
218.04449	6.4
233.11514	4.4
233.15414	4.3
251.16364	11.3
255.13750	4.6
263.16418	100.0
264.16745	4.6
273.14737	6.8
311.16272	6.6
318.17691	8.1
329.17401	55.2
330.17947	4.4
336.18781	10.9
346.17212	4.7
347.18442	32.8
364.18250	6.8
365.19617	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	382.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35409	12.1
55.05507	17.5
57.03444	20.6
67.05510	64.2
70.06577	62.8
71.42561	12.5
71.42974	16.0
75.53880	12.7
79.05471	26.5
81.03407	41.5
81.07066	33.4
91.05471	25.5
93.07044	23.9
95.04966	78.4
95.08589	19.6
105.07056	26.3
107.08611	23.4
109.06509	17.5
109.10133	31.8
119.08601	30.0
121.10114	28.8
121.78538	12.9
131.57657	14.4
133.10097	33.2
135.08098	23.5
135.11713	16.8
143.08522	14.1
145.06529	30.5
145.10127	22.1
157.10246	17.4
159.11655	16.5
161.06029	15.3
163.11197	62.5
173.11716	16.3
175.11160	15.7
175.14833	20.1
182.15393	62.3
187.14984	15.6
203.14355	21.7
209.13237	13.6
213.12617	16.6
218.04445	18.8
227.14384	15.8
269.18784	35.7
279.17581	18.7
297.18469	69.6
315.19586	74.0
316.20074	15.0
333.20676	100.0
334.20987	20.3
382.25858	34.7
382.29785	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55647	16.5
54.23635	17.2
57.07063	18.8
67.05501	22.1
69.07049	29.6
69.54112	54.9
72.33952	17.9
81.07056	100.0
87.34784	18.8
91.05473	31.7
93.07047	52.3
95.08601	85.3
98.23460	34.4
105.07014	51.9
107.08582	47.3
109.10191	30.1
118.78195	16.9
119.08559	71.5
121.10136	58.7
123.11665	21.6
133.10101	27.7
145.10126	51.0
147.11607	43.5
152.80733	18.3
159.11708	33.9
163.14873	27.6
175.14917	21.3
177.16405	33.0
187.14803	53.1
189.16399	51.4
195.73993	17.0
205.15898	85.6
223.16875	74.6
269.22806	26.1
371.05780	18.1
388.82550	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	382.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.1
55.05501	15.3
62.60863	5.8
67.05504	37.1
69.07057	14.2
70.04197	10.1
70.06584	18.2
74.19899	4.9
79.05491	15.1
81.07053	59.7
82.87404	4.9
83.08608	11.6
91.05489	11.7
93.07036	29.5
94.27222	5.3
95.08589	38.2
105.07019	25.9
106.67284	5.0
107.08582	22.8
109.06517	13.7
109.10159	36.0
111.04439	16.0
117.07047	6.2
119.08572	29.2
121.10152	15.2
123.08152	5.1
123.11712	12.8
125.06052	5.0
131.08559	10.4
133.10135	17.5
135.11697	16.7
135.35797	5.2
136.51633	5.9
137.05965	100.0
145.10109	10.9
147.11694	20.7
149.13274	11.3
157.10112	6.0
159.11732	9.3
161.09612	8.9
161.13232	16.6
163.14685	5.3
167.10432	5.1
171.11644	6.6
173.11728	7.5
175.11224	8.8
175.14769	11.2
187.14803	9.5
199.14865	8.0
203.17899	10.5
213.16333	12.7
218.04410	14.8
219.04695	9.3
231.17380	18.7
249.18462	13.7
269.22574	24.7
277.17929	74.5
287.23523	16.7
295.19070	12.7
323.10892	9.2
382.15585	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	383.0946
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
57.53669	1.1
62.94466	0.9
70.50603	2.3
151.47292	1.0
185.04193	62.6
186.04633	1.4
192.68983	1.0
206.01625	1.0
221.04170	18.3
279.08624	1.1
286.99478	0.9
383.09430	100.0
384.09781	4.9
401.19357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04206	0.4
53.54779	0.4
66.82832	0.4
69.03419	0.5
69.53152	0.4
69.65612	0.6
69.65952	1.6
70.06590	1.9
72.50821	0.4
77.28575	0.5
80.16977	0.4
86.09710	0.4
91.05476	0.6
93.07040	0.7
95.06087	0.4
97.02898	0.5
98.23392	0.7
104.27032	0.4
107.08649	0.5
110.07176	1.3
119.08578	0.5
135.08026	0.4
173.91447	0.4
181.04973	0.6
185.04214	1.1
194.15356	0.8
197.38264	0.4
203.05225	5.0
203.06819	11.9
204.07115	0.7
365.12079	11.8
366.12576	0.6
383.13135	100.0
384.13492	6.0
384.21265	1.1
385.41714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82460	0.4
55.05496	0.7
56.66306	0.4
58.34066	0.4
67.05501	0.7
69.03424	0.6
70.21091	0.9
70.73057	0.5
71.04961	1.5
76.02184	0.4
77.72951	0.4
81.03423	0.6
81.07043	0.7
85.02914	1.1
91.05481	0.7
93.07070	1.1
95.08578	1.0
97.06528	0.6
99.04447	0.8
101.14690	0.4
102.50868	0.4
105.07026	0.8
107.08613	0.5
109.02917	0.5
111.04466	0.7
119.08534	0.7
126.01025	0.6
127.03875	1.2
130.10535	0.5
133.06467	0.6
135.04379	0.6
135.11650	0.4
161.06003	0.8
176.84976	0.5
185.04205	0.5
203.05321	0.5
216.74789	0.5
221.11490	2.2
225.09052	0.7
225.72787	0.5
227.05679	0.4
243.10239	0.5
245.11674	0.6
339.17734	1.8
383.16724	100.0
384.17166	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01864	22.4
55.05507	21.3
57.03425	12.8
57.07061	3.1
59.04979	2.9
61.02916	8.9
63.66666	2.7
65.03923	4.2
65.30588	3.0
67.05502	32.2
68.99768	14.9
69.03062	4.5
69.03422	55.7
69.07064	15.6
69.13219	17.7
70.06579	18.3
71.01342	2.8
71.04978	12.4
72.08143	4.0
73.02908	6.7
79.05493	34.1
81.03411	50.7
81.07050	55.9
83.04977	17.6
83.08616	3.6
85.02898	59.2
85.88727	3.0
87.00820	33.9
91.05473	49.1
93.07041	100.0
95.04963	29.6
95.08591	38.9
95.09140	3.8
97.02891	36.8
97.06513	10.4
97.10160	4.5
98.10445	2.8
99.04449	13.4
103.03945	6.8
103.05499	4.6
105.01853	10.4
105.06352	4.6
105.07020	65.5
106.96784	2.7
107.04939	12.2
107.08588	92.1
108.08888	2.7
109.02869	23.3
109.06499	24.2
109.10146	31.1
111.04444	23.8
115.03918	9.9
115.05428	3.5
117.01848	3.4
117.06984	14.0
119.08571	41.1
121.06467	17.2
121.10129	50.2
122.10472	2.8
123.04427	15.2
123.08051	9.7
123.11687	15.0
125.05952	5.3
127.03922	27.5
128.06194	5.8
129.01868	9.3
129.06999	6.2
131.08549	19.7
133.06487	11.1
133.10121	38.9
135.08003	14.1
135.11676	51.5
137.05994	4.1
137.09605	10.2
137.13240	6.8
139.11163	6.7
140.11539	4.2
141.07005	2.8
142.07747	6.4
143.08537	13.6
144.09308	5.5
145.04951	3.9
145.06456	5.1
145.10114	33.3
147.02861	6.8
147.08028	7.5
147.11673	34.6
149.05995	3.5
149.09598	6.6
149.13278	9.5
151.07536	4.8
151.11191	14.4
153.05417	3.8
155.08501	5.4
156.09326	5.0
157.10109	11.9
157.12221	6.7
158.12621	3.2
159.02927	8.5
159.08047	7.1
159.11694	25.2
161.06026	6.2
161.09593	7.6
161.13219	4.1
163.07532	6.6
163.11201	25.0
165.09100	4.1
165.12749	15.6
167.07019	4.1
167.08440	4.2
169.10127	4.7
171.08131	3.3
171.11659	6.1
173.09607	9.1
173.13220	6.5
175.11157	16.2
177.09119	3.4
177.12700	26.2
183.11708	3.7
185.09604	4.9
187.11191	4.9
189.03920	6.5
189.12675	8.3
193.12219	8.9
197.13336	4.3
201.03943	6.7
201.12720	10.9
203.12688	5.2
204.13138	8.5
205.12215	4.7
215.14377	12.3
219.13803	12.1
225.12714	9.5
231.04779	2.8
233.15289	3.2
243.05106	3.4
243.13774	32.9
248.47794	2.8
261.14810	42.5
279.15884	11.6
297.96722	3.0
303.82724	3.2
306.71716	2.9
347.14856	14.0
365.11700	5.0
365.15884	18.7
383.12250	11.4
383.16870	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.4
55.01869	22.9
55.05506	16.4
57.03186	2.6
57.03426	13.6
57.07069	3.4
61.02918	8.2
61.09193	2.3
62.30878	2.2
65.03944	5.6
67.05506	41.6
68.99786	15.1
69.03064	4.8
69.03426	73.2
69.07069	8.2
69.80183	9.9
70.06590	8.9
71.01334	2.5
71.04992	11.3
72.08418	2.5
73.02924	8.0
77.03935	3.1
79.05490	50.0
81.03415	79.4
81.07053	99.4
83.04973	27.3
85.02906	57.1
86.07166	3.3
87.00829	42.2
91.05481	50.8
93.07041	100.0
95.04354	3.0
95.04968	46.8
95.08596	26.7
97.02889	39.8
97.06527	8.9
99.04453	16.4
101.02361	2.5
103.03902	13.8
103.05428	2.6
105.01855	14.6
105.04526	6.0
105.07026	69.4
107.04975	19.3
107.08587	94.4
108.08904	3.7
109.02879	31.7
109.06512	42.3
109.10144	45.6
111.04426	18.3
111.08082	3.3
115.03932	10.3
115.05470	6.0
117.01888	4.1
117.07040	16.7
119.04947	4.4
119.06103	2.6
119.08578	52.0
121.02982	3.5
121.06519	17.6
121.10133	63.5
123.04428	55.4
123.08073	14.7
123.11707	19.9
125.06006	14.5
127.03912	26.6
128.06232	4.2
129.01822	14.2
129.05492	3.2
129.07022	9.1
131.08528	18.1
133.06509	9.1
133.10132	42.9
135.04480	3.9
135.08046	11.8
135.11679	54.3
137.05983	6.4
137.09583	18.2
139.03902	3.9
141.05435	7.5
141.06961	5.2
142.07785	4.8
143.08556	19.1
144.09326	2.9
145.04965	4.8
145.06462	5.2
145.10130	32.5
147.02892	9.1
147.08047	15.8
147.11685	39.1
149.05995	14.7
149.09627	4.3
149.13240	6.0
151.07538	10.7
151.11186	11.1
153.05559	4.6
155.08568	8.7
156.09300	3.6
157.10147	18.2
159.02885	11.1
159.08083	8.8
159.11693	24.9
161.09612	10.4
161.13216	5.0
163.07674	2.9
163.11160	20.1
165.12723	20.7
165.89604	2.8
167.07001	5.3
167.08527	4.5
169.10155	7.1
171.02867	4.6
171.11729	8.0
173.09668	9.3
173.13251	8.1
175.07581	4.8
175.11153	20.6
176.11542	2.6
177.12744	19.8
179.07008	4.6
181.10219	3.1
181.12218	6.0
181.91916	3.1
183.11659	4.8
185.09583	3.7
187.11160	5.7
187.14772	3.6
189.03889	12.6
189.12808	14.2
191.14333	3.5
193.08620	3.2
193.12273	7.7
197.13318	11.2
198.13527	3.6
199.11200	5.0
201.03964	5.5
201.12677	13.8
202.13306	2.8
203.10620	3.4
205.12233	4.4
207.11783	3.0
210.10440	3.4
211.24791	2.4
213.03894	2.7
215.14322	8.3
215.68021	2.6
219.13777	13.7
225.12717	12.9
231.05019	3.3
233.15416	3.6
243.13821	39.6
261.14835	46.1
279.15924	7.5
297.17145	3.7
308.42773	2.7
347.14795	14.7
365.15906	21.5
383.16998	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97399	1.2
55.01873	2.4
57.03434	22.1
61.02925	12.3
69.03427	33.8
69.03805	2.0
70.06596	1.8
71.01346	3.5
71.04996	1.6
71.43926	1.1
73.02915	38.4
75.21319	1.0
79.05518	1.2
81.03421	5.9
85.02899	100.0
87.04449	3.0
91.03945	5.4
95.04973	1.5
97.02887	39.3
97.03486	2.5
99.04451	2.4
109.02881	7.5
115.02207	2.1
115.03925	24.3
127.03907	23.7
133.04971	4.8
143.95074	1.1
145.04950	37.6
161.06012	1.3
162.06328	1.8
163.05991	14.8
165.34232	1.1
221.07811	1.1
223.06155	1.6
241.06989	1.6
383.12802	2.2
383.20465	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18201	5.1
55.01861	19.2
55.05503	26.1
57.03426	18.6
57.07063	6.4
58.76653	4.6
61.02910	7.7
65.03931	5.5
67.05505	39.0
69.03419	45.1
69.07067	31.6
70.06585	11.4
70.31712	13.5
71.01343	9.0
71.04990	67.1
73.02901	10.3
73.06503	5.1
79.05492	41.9
81.03401	36.5
81.06618	8.7
81.07056	94.9
83.04965	19.2
83.08607	10.2
85.02885	64.6
85.06557	5.9
87.04451	5.9
88.78336	4.6
91.05459	34.0
93.07032	78.0
93.38409	5.1
95.04949	33.8
95.08591	71.3
97.02881	24.3
97.06511	19.3
98.22760	8.1
99.04447	13.1
103.03937	15.0
105.07017	100.0
107.04931	9.6
107.08581	69.6
109.02866	7.8
109.06502	24.4
109.10158	58.9
110.92196	4.5
111.04401	16.5
111.08065	6.8
114.61692	5.6
117.07013	20.2
119.08566	92.0
121.06509	17.5
121.10120	70.3
123.04424	9.5
123.08053	16.7
123.11722	31.2
125.05919	5.3
125.09609	16.8
127.11205	33.7
129.05487	7.4
129.06987	12.3
130.07744	7.6
131.08542	35.1
133.04971	5.8
133.10127	67.1
134.69444	4.8
135.08038	15.7
135.11694	45.7
137.09578	23.1
139.07520	5.5
139.11148	6.8
142.07738	10.6
143.08513	24.8
145.04921	6.3
145.06468	6.6
145.10110	54.8
147.08037	10.9
147.11656	62.5
148.11955	6.5
149.13242	21.5
151.11168	12.7
153.12708	16.4
155.08539	10.0
157.10080	35.6
159.11690	63.0
161.09618	11.2
161.13240	25.2
163.11147	7.9
163.14789	9.5
165.09090	7.8
169.10132	9.7
171.11685	29.3
173.09624	7.2
173.13261	21.2
175.11177	11.3
175.14824	9.3
177.09169	6.0
177.12729	8.0
177.16356	11.7
181.10114	9.6
183.11632	13.4
185.09576	6.1
185.13246	8.9
187.11153	10.0
187.14813	16.6
189.12717	10.6
189.16403	30.5
191.14267	6.7
193.15851	10.2
195.11591	8.9
197.13249	17.8
199.14796	11.9
201.12749	15.6
201.16336	22.1
203.17955	17.4
205.15834	9.1
213.12737	9.8
213.16379	13.5
215.17987	13.5
217.10655	10.3
219.17490	12.1
225.12819	7.3
227.14354	7.5
227.17947	6.7
231.17480	9.5
233.19106	10.2
243.13707	8.1
243.17519	8.2
245.18982	13.4
257.18872	9.1
263.20248	6.5
269.18979	7.1
311.20016	10.6
329.21072	22.2
347.21967	20.7
365.23224	21.5
383.24222	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84157	5.1
55.01865	11.0
55.05511	11.7
57.03432	36.4
67.05511	53.7
69.07062	9.0
70.06573	5.9
71.04989	5.9
71.44098	6.3
79.05506	31.8
81.07047	26.5
83.04943	5.8
83.08603	5.9
85.06528	30.9
91.05476	28.2
93.07027	25.6
95.04969	70.9
95.08604	19.7
105.07017	24.9
107.04967	6.7
107.08577	18.0
109.06501	63.5
109.10146	11.8
113.05994	100.0
117.07005	12.7
119.08572	11.5
121.06499	5.9
121.10122	10.6
123.08043	6.0
129.07056	5.5
131.08582	15.4
133.10144	15.4
134.54028	5.4
135.08047	40.4
135.11729	6.0
137.05992	29.8
143.08504	8.7
145.10110	11.5
147.07988	7.3
149.09557	8.7
157.10052	10.1
161.09581	10.5
181.24454	5.0
189.12827	9.5
194.91112	4.9
195.09897	8.8
217.15938	17.5
273.18405	38.4
277.17966	17.4
291.19476	69.0
292.19775	6.6
336.63440	5.4
365.23242	7.3
383.23486	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	5.9
55.01866	3.3
55.05510	12.6
55.40712	2.4
57.07080	12.9
58.59538	2.6
59.04991	6.0
65.03951	5.2
67.05504	24.3
69.03426	16.2
69.07078	7.1
69.19778	17.4
71.04993	7.7
75.36721	2.5
75.78424	2.4
77.00787	2.5
78.43811	2.5
79.05485	33.0
81.07056	32.0
83.04967	5.3
83.08606	4.5
91.05474	72.0
93.07035	100.0
94.07375	3.6
95.04961	31.0
95.08598	38.6
97.06528	15.5
103.05456	4.2
105.04503	3.4
105.07025	76.1
107.04972	4.5
107.08584	44.9
109.06512	26.9
109.10146	17.7
111.08058	12.7
117.07008	9.0
119.04931	2.7
119.08559	49.4
121.06529	15.8
121.10151	40.9
123.08069	31.5
128.06218	10.6
129.07054	13.6
131.08560	25.3
133.06519	4.5
133.10121	30.0
135.08066	23.8
135.11626	4.6
137.09616	10.1
141.06985	7.6
142.07758	21.6
143.08557	26.5
144.09354	3.7
145.06506	4.4
145.10126	34.6
146.07227	2.9
147.08014	23.4
147.11687	13.5
149.09595	23.1
151.07523	41.3
155.08585	4.9
156.09349	11.8
157.10121	37.8
159.08052	8.2
159.11702	15.9
161.09590	18.8
161.13240	11.0
163.11180	5.3
165.06990	3.8
165.09084	32.3
167.08627	3.5
169.10144	7.6
170.10872	7.1
171.11714	7.9
173.09677	8.9
173.13153	5.7
175.11143	19.1
175.14783	6.3
177.09076	11.6
179.08481	3.6
181.10130	4.0
185.13216	16.2
187.11240	6.3
189.12759	9.3
191.14294	4.6
197.13219	5.8
199.11165	4.1
201.12785	6.6
203.14275	27.5
207.11998	3.3
207.13831	10.4
209.13324	6.3
209.15289	3.4
213.12677	5.3
215.14363	8.3
219.13895	4.0
221.15346	53.5
227.14236	4.8
233.15419	5.5
234.16139	7.6
237.14790	3.2
238.97221	2.6
242.99432	2.6
243.13718	4.4
247.16939	3.6
274.19400	3.2
286.19342	6.3
287.20020	6.0
299.19916	5.5
309.18051	3.6
358.91666	3.0
365.24677	11.7
366.25467	3.2
383.20804	4.1
383.25714	64.2
384.26053	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05506	14.3
57.07071	9.1
58.93998	3.2
59.04997	3.3
59.13499	4.0
60.34961	3.7
60.70662	3.6
67.05498	17.2
67.76912	3.7
69.03416	5.7
69.07051	5.2
69.50536	14.6
70.06584	3.8
71.04993	4.7
79.05480	18.0
79.52232	3.7
81.07058	27.9
83.04980	9.3
83.08601	10.7
85.06548	4.9
91.05476	24.1
93.07043	62.8
95.04989	19.9
95.08604	39.6
97.06512	17.6
98.23434	6.7
99.08073	4.3
105.07024	49.6
107.08590	34.6
109.06494	19.3
109.10130	20.7
111.04407	19.4
111.08064	11.7
117.07047	6.4
119.08554	37.0
121.06503	9.0
121.10140	35.0
123.08048	28.4
125.05969	13.8
128.06296	3.8
129.07002	8.2
130.07758	4.0
131.08571	22.2
133.10149	28.5
135.08034	16.0
135.11682	13.2
137.05922	20.4
137.09637	11.7
142.07771	10.9
143.08559	15.7
145.10110	39.0
147.08031	22.9
147.11696	14.9
149.09584	21.8
151.07539	40.8
153.09093	4.4
153.12733	5.1
157.10094	35.6
159.08015	8.9
159.11691	16.5
161.09622	22.8
161.13313	8.1
163.11102	8.9
165.09113	32.3
169.10146	4.9
171.11732	5.7
173.09662	8.0
173.13200	10.0
175.11180	23.1
175.14827	10.8
177.09048	12.4
179.14307	9.3
181.12149	17.8
185.13203	22.2
189.12743	11.1
195.13698	5.8
197.13170	8.8
203.14267	38.0
207.13797	17.3
209.13214	8.9
209.15189	8.4
213.12631	4.7
215.14322	16.0
221.13234	6.6
221.15337	100.0
231.13863	4.8
233.15417	6.2
234.16142	9.8
237.14873	5.3
239.14285	4.3
277.17981	7.9
286.19363	5.6
287.20123	10.2
299.20016	6.2
303.19482	10.3
309.18109	4.2
309.40634	4.0
349.27173	10.5
350.28046	5.3
357.84595	3.7
365.24725	12.3
383.25772	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01870	5.3
55.05511	28.7
55.24516	1.7
57.03416	1.7
57.06861	1.7
57.07079	16.2
60.01361	1.8
67.05503	21.2
67.22367	1.5
69.03425	2.2
69.07067	18.9
69.23598	10.0
70.06583	4.8
71.04967	3.3
71.08620	8.2
78.39188	1.9
79.05484	17.2
81.07059	43.9
83.04984	16.5
83.08613	8.1
85.06538	11.0
89.89712	1.5
91.05485	10.9
92.35165	1.8
93.07043	26.5
95.04956	6.9
95.08607	36.7
96.05729	5.1
97.06525	18.6
97.10162	2.7
99.08083	5.5
105.07031	15.7
107.04940	2.0
107.08584	37.6
109.06520	24.5
109.10160	16.8
110.07307	2.6
111.04439	100.0
111.08092	9.0
112.04707	2.7
117.07037	3.8
119.08595	13.2
121.06511	5.8
121.10123	12.5
122.07319	2.4
123.08067	31.3
123.11702	5.6
125.05986	86.4
125.09665	3.2
127.07570	2.4
131.08560	5.2
133.10124	9.4
135.08057	24.2
135.11702	28.4
137.05975	80.3
137.09589	5.4
137.13261	3.7
138.06607	2.9
139.07532	5.8
143.08505	1.9
144.12796	1.6
145.10115	21.0
147.08025	3.6
147.11679	8.4
149.09636	8.7
149.13190	5.1
151.07487	5.6
151.11156	5.2
153.12723	21.6
155.14288	6.7
157.10188	1.9
159.11678	5.0
161.09616	6.7
161.13240	5.0
163.11171	25.6
163.14845	2.2
165.09093	5.9
165.12683	3.0
173.13272	2.9
175.11197	4.7
175.14880	3.0
177.09003	2.0
177.12747	3.6
179.10646	3.4
179.14302	52.4
180.14670	2.5
181.12233	83.8
182.12939	14.7
193.12407	2.0
195.13779	36.4
203.14363	3.1
203.18047	3.1
221.15364	2.7
221.18962	3.0
226.81683	2.0
231.17451	4.3
249.18532	14.9
267.19406	2.0
272.04520	1.7
277.17957	33.1
278.18539	3.0
291.19559	6.4
293.21085	15.0
295.19122	2.8
305.24756	2.5
309.20566	2.0
319.26205	3.7
329.24582	2.2
347.25690	8.7
348.26367	2.9
349.27359	35.7
350.28116	19.1
356.78589	2.1
364.31360	2.0
365.26871	10.7
383.27957	27.5
384.28113	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95152	10.2
55.05513	35.5
67.05511	61.5
68.74474	11.5
69.06713	10.6
69.07069	28.2
70.06589	75.8
70.08062	13.2
70.08383	27.9
79.05504	32.6
81.07044	83.7
83.08614	21.4
85.06544	24.2
91.05502	32.5
92.58221	12.9
93.07044	37.7
95.08628	53.1
97.10162	12.1
98.22673	12.9
99.08115	13.6
105.07037	43.1
107.08612	52.2
109.10163	48.8
119.08599	100.0
121.10161	32.4
123.11707	18.7
125.09616	25.3
131.08545	22.0
133.10129	49.9
135.11708	21.6
137.05974	53.3
145.10147	38.6
147.11678	21.9
157.10083	32.7
159.11703	42.9
161.13234	21.9
163.13428	13.0
171.11742	16.8
173.13289	34.3
175.14827	15.4
185.13200	27.0
187.01831	12.6
187.14853	38.7
189.16393	43.3
199.14803	26.7
201.16405	16.2
227.17883	15.9
243.21036	53.8
245.18799	18.0
263.01990	24.0
269.22617	43.3
275.23792	22.6
277.17883	17.6
277.84705	13.5
287.23618	60.9
291.19562	29.0
305.24744	22.5
384.15601	14.0
384.30701	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	383.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36532	28.6
55.05503	38.1
65.50285	25.6
67.05482	58.9
70.70433	35.3
70.70785	44.9
79.05492	49.7
81.07065	99.5
84.19506	29.5
93.07059	52.6
95.08612	57.8
105.07048	28.4
107.08598	80.4
109.10185	63.8
119.08610	80.8
121.10143	46.1
133.10103	56.4
145.10167	94.0
149.13277	76.5
157.10069	46.8
159.11743	57.0
167.93272	28.7
169.12245	51.4
173.13237	61.5
177.78767	28.0
185.13226	68.0
187.14810	100.0
201.16368	38.0
269.22604	88.9
287.23755	60.4
305.24808	55.8
375.16586	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.6
67.05508	11.8
69.03423	7.4
70.06593	8.1
81.03407	21.6
81.07046	8.5
81.24722	2.5
83.05008	5.1
91.05476	4.5
91.20033	2.6
93.07034	6.5
95.04973	31.6
95.08612	8.4
97.06542	5.7
105.07026	7.7
107.08603	7.3
109.06514	10.9
109.10168	8.7
109.35940	2.5
119.08591	7.6
121.06521	7.6
121.10126	4.0
123.04430	4.3
123.08038	15.3
123.11705	3.6
125.09644	3.5
131.08543	5.2
133.10147	8.5
135.08057	8.7
135.11728	4.6
143.08589	4.6
145.06465	3.7
145.10139	6.5
147.08060	5.0
147.11684	7.1
149.09634	4.3
151.07602	3.7
151.11192	10.3
151.80003	2.5
157.10114	4.3
159.11729	6.6
161.09674	10.7
163.11255	4.9
171.11771	4.7
173.09578	6.0
173.13284	10.3
175.11197	5.4
179.10703	14.7
185.09636	3.6
185.13237	6.8
187.11205	3.7
191.14296	24.4
205.12259	6.7
209.15367	6.7
213.12793	3.1
219.13736	15.2
225.12741	5.0
225.83946	2.7
239.14438	3.2
245.15402	3.0
257.15424	5.2
267.17426	4.0
285.18576	5.4
295.16977	5.9
313.17957	51.1
314.18271	3.1
331.19058	100.0
332.19263	8.9
349.19913	8.9
366.22696	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	384.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59177	4.1
55.05504	12.3
57.07066	15.2
66.40751	4.3
67.05502	18.7
69.03433	5.6
69.07076	18.1
69.07610	33.3
72.70789	4.5
79.05490	13.9
81.07051	67.4
83.08614	12.1
91.05477	12.6
93.07039	28.8
95.08607	46.0
96.08936	6.5
97.06532	5.6
97.10183	7.3
105.07042	18.8
107.08604	32.5
108.08920	5.1
109.06509	16.2
109.10155	30.3
110.06891	6.9
111.04451	32.5
112.04777	10.6
119.08567	34.3
121.10143	24.0
123.08048	10.2
123.11703	15.4
124.08389	7.5
125.05996	27.3
126.06341	8.8
131.08559	17.8
133.10139	32.8
135.08040	5.0
135.11697	29.1
136.12013	5.2
137.05952	20.7
137.13264	6.6
138.06320	10.3
145.10132	39.8
146.10536	5.1
147.11688	25.3
149.13287	8.4
151.11189	46.8
153.12740	6.9
159.11700	40.0
161.13255	20.0
163.14870	16.7
164.11511	9.7
173.13257	20.9
175.14790	24.5
177.16354	9.2
179.14311	13.5
180.14662	10.4
181.12247	16.0
182.12657	17.1
182.65778	3.9
187.14799	35.3
189.16354	32.8
190.17163	8.2
195.13855	7.6
196.14172	8.0
201.16454	15.4
207.02902	5.9
207.17413	21.0
215.17944	11.0
216.40659	4.3
229.19479	19.0
250.19003	5.8
271.24210	100.0
272.24515	6.7
278.18414	9.9
289.25156	35.5
350.27625	11.8
351.28427	11.1
366.27277	5.6
384.28146	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01548	8.6
56.83825	6.7
64.58070	7.5
69.37713	18.6
69.38096	23.8
69.72308	7.1
94.02687	7.2
98.97572	12.8
102.29180	7.1
113.59056	7.2
208.69713	7.2
234.23441	7.5
311.68863	8.3
385.10574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92296	7.5
65.55827	8.0
68.80761	7.6
70.06575	11.8
70.50417	16.8
110.07137	20.1
116.82128	8.1
136.06104	9.8
177.05489	20.2
193.04953	10.9
218.76584	8.9
226.15428	13.7
235.25092	8.1
241.03818	8.8
260.37927	9.3
385.09338	100.0
385.14999	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	385.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81136	2.4
64.38084	2.2
65.04576	2.1
69.03441	2.2
70.75317	3.1
116.07105	2.7
163.03923	8.0
197.19896	3.1
203.05264	24.2
205.08392	3.2
325.09424	3.5
356.31900	2.8
367.09882	4.7
385.09991	100.0
385.14920	49.2
386.10272	2.5
386.15692	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94805	1.9
71.42349	3.0
83.17876	2.1
90.63474	2.0
182.52847	2.5
193.23106	2.2
202.09473	2.5
203.05432	2.6
213.02469	2.5
220.89241	2.2
223.06017	2.9
293.70383	2.6
352.55762	2.3
385.11191	100.0
386.11691	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	385.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76071	0.7
60.66166	0.9
62.63127	0.9
67.78415	0.9
69.59637	2.5
90.46387	0.7
95.16113	0.7
98.23554	0.8
98.97620	2.0
116.98602	0.8
119.01954	1.3
119.12850	0.9
182.62393	0.7
203.05298	5.2
205.04712	4.9
219.02029	1.1
223.05927	1.2
258.99762	0.9
260.99756	1.1
261.03143	4.2
277.00879	0.9
286.06564	0.7
367.10165	4.1
385.11060	100.0
386.11295	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	385.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68648	0.2
66.22924	0.2
71.31400	0.3
74.38379	0.2
114.30190	0.2
123.00539	0.2
185.04233	0.6
187.03691	0.2
203.05266	3.0
205.04697	1.5
223.05769	2.1
285.09344	1.2
315.10388	0.3
385.11032	100.0
386.11368	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	385.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40604	0.4
61.21430	0.4
70.97321	0.7
81.03405	0.9
101.65786	0.4
189.05225	4.4
201.03734	2.0
203.31998	0.5
207.06256	7.8
239.48470	0.5
329.57147	0.5
367.10300	0.7
385.11035	100.0
386.11395	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	385.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05508	15.3
67.05501	0.7
67.67810	0.3
69.03443	0.4
69.07045	0.6
71.42056	0.4
74.57030	0.3
76.88903	0.3
79.05486	1.3
81.07044	0.5
83.04976	100.0
83.28808	0.3
84.05285	1.7
87.04462	1.2
91.05474	2.2
93.07041	2.4
95.04962	1.1
97.06522	1.2
103.05481	0.6
105.07021	19.0
107.08602	0.4
107.36138	0.3
109.02939	0.4
109.06503	0.4
115.03915	0.4
115.05501	0.5
117.07027	0.7
119.08557	1.1
121.06502	17.2
128.06255	0.5
129.06981	0.6
131.08595	0.4
133.06482	48.2
134.06877	1.1
135.04428	1.1
135.08057	1.8
139.07433	0.4
143.08551	0.7
145.06476	5.2
145.10139	0.5
147.08089	1.9
148.38937	0.4
159.08057	1.2
161.05962	3.2
163.07532	0.9
168.09343	0.4
171.08043	0.9
172.08731	0.5
173.05995	1.5
173.09555	0.6
175.07492	0.5
182.07355	0.4
185.05980	0.5
185.09651	0.5
187.07527	0.9
187.11206	1.3
191.07065	0.8
193.05368	0.4
196.08765	1.8
197.09570	2.2
199.11145	1.0
201.05339	0.5
201.12741	3.5
211.11160	8.8
212.11855	1.7
215.10661	17.7
216.11000	0.6
227.10524	0.5
229.09927	0.8
229.12228	16.4
230.12704	0.9
247.13304	3.7
377.97000	0.4
385.10757	2.1
385.17947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69708	0.5
66.09710	0.5
67.20431	0.5
69.03429	1.6
69.27734	2.5
69.95334	0.5
71.08649	0.5
71.45102	0.4
91.05476	1.6
95.04951	1.1
105.07008	1.3
115.05453	1.7
117.07007	2.2
121.06504	2.8
121.96227	0.5
128.06230	1.2
129.07014	1.3
130.16937	0.6
133.06488	0.7
135.04399	2.2
141.06973	2.2
145.06491	5.2
147.04431	1.5
152.06139	0.9
153.06981	1.1
154.07788	2.1
161.05989	2.1
165.07066	1.4
166.07813	0.8
167.08559	2.6
167.73053	0.5
169.06525	2.0
169.10123	3.7
173.05949	3.8
175.90646	0.6
178.07774	1.9
179.08578	1.5
181.06503	2.0
181.10201	0.6
182.07246	7.6
183.08040	5.8
184.08786	1.4
185.09552	1.0
190.07637	0.6
191.08505	0.6
192.09180	0.6
193.10133	1.2
194.07285	1.2
194.10614	0.5
195.08037	19.7
196.08694	1.5
197.06047	1.4
197.09628	10.2
198.09853	0.6
206.07356	1.1
207.08031	1.1
208.08742	0.9
209.09608	11.8
210.06821	0.8
210.10378	3.2
211.07474	4.5
212.08310	14.6
213.09030	1.2
215.08585	0.8
219.08034	1.3
220.08873	0.8
221.09570	4.7
222.06758	1.3
222.10358	1.5
223.07553	7.4
223.10912	0.8
224.08142	1.1
225.09094	26.8
226.09694	2.4
232.08821	2.8
233.09656	1.1
234.06822	0.6
235.07535	2.3
237.09074	10.2
238.09866	50.2
239.10303	2.5
241.09958	0.8
243.11642	0.6
249.09126	8.7
250.09595	1.6
251.10541	0.6
253.10236	0.8
255.11711	0.7
256.08786	1.1
257.09714	0.6
258.10287	0.8
259.11203	1.8
262.09616	0.7
265.10199	1.2
267.11765	0.6
268.08868	0.5
269.09662	2.6
270.10397	1.1
271.11185	1.6
272.08331	2.8
272.11530	1.0
277.08636	1.2
279.11652	1.1
280.12448	1.3
281.09613	1.1
282.10352	2.0
282.13278	0.6
283.11166	2.8
285.09070	2.9
285.12787	2.2
286.09860	1.3
286.13193	0.9
287.10635	9.5
288.11371	1.7
292.08563	0.7
293.09631	1.4
295.11307	0.8
296.11890	4.5
297.12738	2.0
298.10059	1.2
298.13400	1.5
299.10712	7.8
299.13910	0.6
300.11389	1.9
301.12286	1.5
301.15793	0.9
306.10275	1.3
307.11093	2.0
308.11966	3.8
309.09164	1.4
311.10739	1.1
311.14325	1.4
312.11475	0.7
313.12262	1.8
314.09613	0.9
314.12939	4.5
315.10318	1.0
315.13727	1.8
317.11758	0.9
322.13391	1.1
323.10583	2.3
323.14340	2.5
324.11407	3.0
325.12103	2.2
327.10168	2.7
328.10742	1.4
329.11618	2.4
329.15359	5.9
339.13797	7.2
340.14261	1.1
341.11603	1.7
341.15494	1.2
342.12500	2.1
343.09595	1.3
343.13321	0.8
349.12244	0.7
350.12814	0.6
352.10931	2.5
357.14816	27.9
358.15292	2.1
367.13260	8.4
368.13821	0.9
370.12042	1.0
385.14316	100.0
385.28998	5.1
386.14648	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	385.1466
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.18449	0.3
52.11740	0.3
70.06574	0.4
70.21719	0.3
70.91347	0.5
79.85564	0.3
81.07005	0.3
87.54224	0.3
91.05466	0.4
95.06108	0.3
95.08612	0.3
102.04722	0.3
110.07144	1.7
165.09145	0.7
203.05240	18.5
203.23766	0.3
204.05563	0.5
205.08337	17.4
206.08731	0.6
221.36806	0.3
223.09363	0.4
322.21170	0.4
367.13544	0.7
385.14639	100.0
386.14969	5.2
386.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	1.6
69.12827	0.8
69.44376	3.5
79.05486	0.9
81.07011	1.4
93.06976	1.4
98.97514	2.4
109.06483	1.3
116.98620	0.9
137.05951	1.7
143.21742	0.8
163.11179	0.9
167.06987	1.1
180.22377	0.6
185.04190	10.2
194.53925	0.8
201.05501	1.7
203.05237	4.7
205.08409	1.3
215.82483	0.7
223.09393	100.0
224.09743	3.1
230.34674	0.7
241.07341	4.1
246.39957	0.7
259.08340	3.6
265.07422	1.1
283.08380	6.0
301.09570	1.1
385.14749	53.1
386.14984	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	385.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	12.1
57.28175	13.4
62.19897	12.3
67.05504	34.3
67.28541	12.0
69.03434	28.6
69.07066	53.4
71.04974	12.5
79.05492	57.9
81.07050	42.4
83.04983	57.0
85.06532	23.3
91.05481	33.7
93.07036	66.8
95.05006	17.4
95.06182	13.7
95.08597	24.4
97.06519	68.6
99.04465	25.8
105.07024	76.2
107.04972	23.7
107.08609	36.9
109.06535	43.0
110.09625	12.8
111.08072	14.1
114.10303	15.5
115.05444	13.6
117.06973	23.3
119.04928	19.2
119.08605	20.4
121.06527	53.5
125.05984	85.6
129.07011	22.8
131.08598	50.9
133.06445	14.2
133.10133	22.5
135.11766	15.4
137.05933	28.7
139.07549	15.4
143.07054	23.1
143.08594	19.0
145.10095	100.0
147.04399	15.6
158.07285	22.2
159.11714	48.4
163.07529	13.9
163.11183	58.9
167.07166	15.6
173.09578	75.5
187.11197	46.8
191.10689	31.9
191.97455	14.4
197.09558	22.6
201.05544	23.2
205.12146	69.7
215.10622	71.0
217.05057	28.0
233.11766	24.1
237.10228	22.9
251.12653	16.2
265.09705	15.1
325.11609	17.6
353.11032	16.8
385.13663	34.5
385.24350	16.9
386.19626	21.3
394.58783	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	385.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01868	17.6
55.05507	13.8
57.03443	4.3
57.37092	0.9
59.04999	1.4
65.03929	3.5
67.05501	100.0
68.05818	1.3
68.99778	3.2
69.03425	28.4
69.07068	3.8
71.04987	35.7
73.02912	1.3
79.05485	9.7
81.03413	49.4
81.07049	17.4
83.04974	4.1
83.08593	2.2
85.02895	22.2
85.06551	2.9
87.00831	6.8
87.04459	1.9
91.05476	29.9
92.05803	1.1
93.07041	34.9
95.04967	13.2
95.08600	86.7
96.08923	1.7
97.02888	27.7
99.04455	13.9
101.06011	2.4
105.07030	1.3
107.08577	4.2
109.02873	60.3
109.06532	3.6
109.10149	73.4
110.10461	1.6
111.04441	2.5
111.08075	18.4
113.05981	3.3
113.09618	1.8
115.89469	0.8
117.07019	1.2
119.08569	33.4
127.03909	99.0
128.04233	1.3
133.10208	1.3
135.08044	1.4
137.09604	59.1
138.09935	1.5
140.74731	0.9
145.04938	1.9
151.51877	0.9
155.10654	36.6
193.66821	0.9
198.99010	1.0
213.03867	7.8
231.05025	3.0
231.67735	1.1
263.12793	4.7
341.15942	1.1
385.14685	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	385.1835
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
55.05513	0.9
58.99586	1.4
70.06595	1.7
71.43213	0.7
72.08153	0.8
72.30458	0.5
74.53900	0.5
75.31751	0.7
79.05502	1.5
81.07063	1.0
86.99058	1.2
91.05494	1.4
92.33865	0.6
93.07047	0.6
97.85238	0.5
105.07027	0.8
112.02220	0.8
114.10303	1.1
115.05448	0.6
116.01665	5.0
138.00090	1.3
144.01138	1.3
158.89334	0.8
159.03128	0.7
186.60622	0.6
201.05478	0.9
213.00243	0.9
217.05356	0.7
236.10971	0.9
254.12369	0.6
264.10574	1.5
265.07153	0.8
277.19296	0.6
282.11539	1.7
321.12549	0.9
334.30936	0.6
339.13748	2.5
367.13336	1.4
385.18326	100.0
386.18790	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.62761	1.6
57.03434	32.2
59.04996	2.3
61.02925	16.5
69.03426	28.0
70.23997	3.9
71.01341	2.6
73.02914	65.7
81.03411	4.4
85.02898	100.0
87.04462	3.1
91.03942	6.1
97.02263	2.4
97.02888	47.5
99.04438	4.2
109.02887	9.8
115.03928	30.6
117.75661	1.5
127.03902	25.4
130.85002	1.8
133.04953	11.9
145.04944	48.7
145.32387	1.7
150.07635	3.0
163.06015	32.0
169.27995	1.6
193.04849	1.7
223.05997	2.6
232.70837	1.8
237.13087	2.9
241.07065	2.9
245.20366	1.8
259.08167	3.3
295.10306	1.9
310.95673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69371	7.3
55.05488	6.7
57.07055	9.5
58.06586	10.3
58.66407	6.9
69.07088	10.2
70.03545	15.2
70.03888	11.0
71.51368	6.4
77.00598	18.6
83.08607	7.6
95.01648	46.3
95.08625	6.4
105.03716	45.5
105.07042	8.5
119.82094	6.9
122.06366	17.2
136.04782	7.0
147.04698	35.5
147.18887	8.1
164.19740	7.3
169.03476	19.6
176.95680	7.0
189.09428	100.0
193.07137	8.5
197.09625	7.7
212.08136	7.8
213.08685	11.0
216.62045	7.1
225.09201	8.2
238.09822	15.7
239.10278	21.2
275.51367	6.6
279.14386	16.6
297.12106	6.8
300.10983	8.4
309.13086	7.7
322.31006	64.9
358.15131	18.9
386.14624	95.2
386.30829	8.5
386.39774	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	386.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.03442	5.5
67.05495	7.0
69.03416	5.5
69.29077	3.8
69.29477	10.4
74.23724	1.8
75.98949	2.4
79.05489	2.8
81.03413	24.9
81.07047	2.9
83.04977	4.4
85.06491	2.1
93.07027	6.1
95.04967	28.3
95.08604	6.1
98.23425	4.1
99.08077	2.6
101.09155	2.1
105.07025	6.1
107.07462	2.2
107.08585	8.7
109.06481	5.0
109.10120	3.6
113.05965	3.8
117.07038	2.5
119.08585	12.8
121.06499	4.8
121.10136	14.6
123.08075	7.3
123.11684	3.5
131.08592	4.9
133.10149	6.2
135.08017	6.7
135.11667	6.0
137.09605	3.3
143.08562	3.7
145.06493	8.3
145.10118	8.7
147.08057	5.3
147.11659	4.4
157.10124	7.9
157.25327	2.2
159.08025	3.1
159.11694	8.5
161.09622	5.7
163.11157	22.5
169.10071	5.3
171.11659	6.8
173.09639	3.2
173.13271	10.2
175.11194	2.8
175.14816	7.4
177.09116	2.4
177.12735	5.0
183.11656	2.8
185.09689	2.7
185.13249	4.0
187.14877	4.8
188.07631	2.5
189.12854	3.4
193.15851	9.8
195.11633	3.9
197.13330	4.8
199.10994	2.6
199.14868	2.3
201.12720	4.4
203.14320	8.5
210.14072	2.6
215.14244	5.3
217.38181	2.4
221.15298	4.0
225.16258	3.3
227.14359	4.5
229.15860	6.2
241.15910	7.2
255.17432	2.9
259.16928	5.6
269.19037	8.7
279.17398	4.6
297.18472	36.5
298.18710	3.4
304.16528	2.4
315.19522	48.2
316.19922	3.4
333.20587	100.0
334.20871	9.4
351.21588	5.1
364.22064	2.2
368.24359	11.8
368.45633	2.3
386.25568	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	386.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
55.22947	0.5
57.07076	8.1
58.06600	5.7
60.04505	0.5
69.07050	0.8
69.24951	3.1
70.99751	0.5
71.08636	4.2
72.04511	1.5
72.08154	18.7
85.10159	1.1
88.02200	4.2
91.05465	0.7
93.07033	1.0
98.22626	0.5
99.87495	0.5
106.17297	0.5
113.00027	3.9
119.08612	0.8
121.10162	0.6
131.08534	0.6
156.17467	8.1
169.02571	2.5
170.18996	2.8
199.07513	1.3
212.23743	6.2
213.24112	0.5
218.21127	0.9
219.17242	0.6
226.25334	2.2
324.36227	29.0
325.36676	1.8
357.98553	0.6
386.39902	100.0
387.40265	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	387.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24895	16.0
69.77322	33.9
84.98445	14.1
88.10738	15.6
93.18865	13.2
98.97604	20.6
123.04469	18.2
138.49295	17.3
222.46019	21.2
351.41321	17.3
379.49689	14.1
387.11209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30417	2.0
59.62873	2.3
63.14062	2.1
69.40153	12.5
70.06578	4.9
85.02911	5.2
86.09689	4.3
97.02883	2.8
111.04436	5.2
112.03953	2.4
140.07024	2.6
154.18478	2.4
156.26268	2.1
163.03816	2.2
183.70810	2.2
189.05219	4.4
203.05339	5.3
207.06335	6.2
219.69180	2.5
225.07504	2.5
387.10211	100.0
388.12033	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	387.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22637	11.1
58.61655	8.1
59.27956	8.5
69.89584	23.3
77.49475	8.0
85.00401	8.2
105.10522	10.0
110.47191	8.8
113.50790	8.0
145.02881	12.9
177.05478	16.9
240.41614	9.9
293.40051	10.7
387.12180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95470	1.5
67.55574	1.5
68.81895	1.3
70.64435	1.3
70.82659	2.8
81.81478	1.3
189.05266	2.6
203.05331	5.7
207.06248	8.1
269.10013	1.7
325.40381	1.5
387.12686	100.0
388.13028	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	387.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.7
71.03672	3.8
80.17450	2.5
81.52428	2.7
98.97567	3.9
109.25122	2.8
115.27779	2.5
132.96269	2.8
133.02898	3.0
144.04256	2.5
145.02887	2.8
203.05231	6.6
207.06267	6.3
330.08325	2.8
387.12756	100.0
388.13214	6.1
405.19766	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	387.1259
Annotation	DPPP
Peak:m/z	Relative Intensity
69.49632	1.0
81.97477	0.3
85.02852	0.4
121.81209	0.3
165.35881	0.4
185.04265	0.9
189.05225	3.0
203.05246	6.1
207.06288	9.2
225.07372	1.5
262.51648	0.4
269.09995	0.9
369.11349	0.5
387.12595	100.0
388.12952	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09357	1.7
57.07074	62.3
66.27791	1.8
66.70248	1.6
81.07053	2.0
83.04968	8.3
85.06540	43.7
91.05486	8.9
93.07053	6.0
94.11351	1.8
95.04955	5.2
97.02845	2.0
103.05392	2.0
105.07029	42.0
109.06523	4.0
117.07009	2.0
119.08570	8.7
121.06503	95.8
122.06821	2.6
133.06483	100.0
135.08008	4.5
137.05959	3.0
144.07532	1.6
145.06494	6.7
147.08035	32.3
161.06053	2.3
161.09621	4.8
173.09621	3.2
175.07524	28.1
189.09082	2.4
189.12761	3.8
199.11195	2.4
203.14284	5.1
213.12769	10.7
217.12215	19.7
231.13776	28.6
301.67929	2.1
387.12555	6.3
388.25677	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	387.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
60.80788	1.0
65.66917	1.0
70.26330	2.3
79.05484	3.6
83.04980	3.9
91.05461	6.9
95.04948	2.2
98.22807	1.6
105.07030	6.1
107.04941	3.2
115.05457	4.1
117.06995	2.7
119.04944	3.7
121.06493	15.4
122.16573	1.0
128.06207	4.6
129.07033	5.2
131.08560	1.5
135.04407	38.8
135.08069	2.2
136.04752	1.3
141.07001	2.9
142.07755	3.9
143.08549	5.3
145.06470	9.7
147.04396	15.0
147.08090	1.5
150.51868	1.0
152.06215	1.1
153.06982	7.9
154.07806	1.4
155.08574	8.8
156.09387	4.1
157.06621	1.2
157.10075	2.2
158.07217	1.4
159.08023	7.7
161.05991	3.3
165.06953	8.9
166.07809	4.6
167.08549	4.6
168.09334	9.4
169.06435	4.7
169.09999	1.6
171.08080	5.6
171.11696	6.5
173.05956	6.2
173.09671	3.6
178.07802	2.1
179.08540	3.3
180.09341	10.3
181.10091	3.4
182.07240	4.9
183.08099	1.8
183.11580	5.8
184.08774	5.3
185.09570	4.0
186.10423	3.2
187.07494	1.6
190.07797	1.6
191.08598	3.6
192.09328	15.6
193.10069	2.9
194.07227	1.4
195.07932	2.3
195.11697	10.6
196.08870	2.1
196.12186	1.0
197.05994	1.9
197.09689	4.4
199.07480	1.9
199.11162	35.3
199.12967	2.2
200.11526	1.7
205.10147	1.6
207.11720	4.3
208.08797	7.5
209.09581	7.5
211.07556	3.5
211.11224	6.5
212.08313	2.9
212.11957	1.7
213.09108	3.7
215.08580	2.6
216.09396	4.3
222.10333	5.2
223.11174	15.7
224.11694	1.9
225.09023	4.9
225.12764	1.7
227.10632	10.6
228.09311	1.9
229.10057	1.3
231.11357	1.0
232.08817	4.4
233.09555	4.6
235.11234	2.3
236.08324	4.2
237.05432	1.2
237.09099	3.2
239.10754	3.1
241.12259	3.7
242.10751	1.5
243.11769	1.2
244.08678	1.1
247.11180	2.7
251.10661	44.6
252.11179	3.0
256.08755	2.0
256.12576	1.1
257.09601	1.6
258.10461	1.9
259.11194	10.0
261.09164	2.3
261.12546	1.5
262.09808	1.3
264.07895	1.9
267.11694	1.1
270.10471	1.7
271.11072	2.9
272.08264	1.6
273.12659	1.7
274.09866	2.9
275.10574	8.4
279.10129	17.6
283.11200	2.8
284.11703	1.3
285.12674	7.7
286.09937	1.6
286.13156	1.2
287.07614	1.5
287.10617	7.7
288.07944	2.0
288.11472	1.5
289.12247	5.1
295.11246	2.6
297.11365	1.8
298.13434	1.3
299.10684	3.0
299.14267	2.7
300.11713	1.1
300.14990	4.0
301.09122	1.2
301.12219	6.4
302.13004	3.1
303.10117	22.7
303.13525	1.2
304.10782	4.3
309.12790	1.9
310.13516	3.4
311.10541	1.4
312.11227	1.6
313.12250	1.3
313.15845	2.4
314.09152	1.8
315.10208	1.3
316.11057	1.7
316.14487	7.8
317.11719	4.5
317.14941	1.7
326.13037	2.7
327.10117	1.6
327.13708	2.4
330.12439	1.7
331.09988	5.8
331.13327	2.0
331.16864	25.3
332.17227	2.8
336.11447	1.2
341.15311	6.2
344.14026	4.5
345.11227	1.9
345.14893	1.6
359.16388	100.0
360.16745	9.3
369.10156	2.1
369.14838	46.3
370.15179	5.3
386.39920	3.6
387.15887	52.5
387.40268	2.9
388.16156	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	387.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
56.01067	0.9
62.66472	0.9
69.26071	6.1
72.08138	1.1
79.05504	5.5
83.04977	1.6
87.04424	1.0
91.05488	5.8
93.07040	1.7
95.04982	1.7
97.02797	0.9
98.23574	1.0
105.04508	1.7
105.07020	5.3
107.04939	3.4
113.00034	2.3
115.05429	5.9
117.06995	2.8
119.04939	3.7
121.06502	17.1
128.06210	2.5
129.07005	4.0
135.04408	33.2
135.08043	2.4
136.02065	1.1
136.04791	1.3
141.06924	1.7
142.07756	4.9
143.08559	5.5
145.06480	10.8
147.04402	15.1
153.06973	6.1
154.07735	1.8
155.08568	8.2
156.09283	4.1
157.10124	2.4
158.07228	1.9
159.08087	6.2
161.05997	3.8
165.06963	9.5
166.07843	5.1
167.08542	2.3
168.09325	9.7
169.02618	3.2
169.06522	2.1
169.10120	1.3
171.08023	5.7
171.11725	6.3
173.05931	7.0
173.09573	2.4
178.07835	2.3
179.08615	2.9
180.09293	7.0
181.10097	3.6
182.07260	3.5
183.08083	1.6
183.11673	5.7
184.08809	5.0
185.09642	3.6
186.10396	2.7
190.07750	1.8
191.08560	3.5
192.09338	12.6
193.10004	2.4
194.07277	1.2
195.08092	2.5
195.11676	9.8
196.08908	1.4
197.05888	2.9
197.09589	3.5
199.07491	1.6
199.11183	36.0
200.11568	2.2
202.07910	1.8
205.10139	1.9
207.08073	1.4
207.11626	5.2
208.08818	5.2
209.09613	6.7
211.07533	1.9
211.11151	5.8
212.08304	2.8
213.09041	3.2
215.08569	3.1
216.09305	4.6
220.08688	1.1
222.10481	5.0
223.11130	14.1
224.11809	2.1
225.09122	5.3
225.12714	1.5
227.10628	9.1
228.09161	1.4
229.10048	1.9
232.08858	3.5
233.09578	4.6
235.11171	3.1
236.08302	2.8
237.09175	2.0
239.10670	2.4
241.12277	3.1
242.10910	1.5
244.08867	1.9
245.09509	1.6
246.10399	1.6
247.11122	2.7
251.10674	46.3
252.11154	3.8
256.08838	2.5
258.10376	2.4
259.11136	8.5
260.08356	1.3
261.08969	1.7
261.12604	1.2
262.09818	1.3
269.09653	2.2
270.10434	1.8
271.11053	1.8
272.08249	1.4
273.12784	2.5
274.10010	1.6
275.10648	8.2
279.10144	13.2
280.10696	1.7
283.11087	2.2
285.12671	7.0
286.09839	1.4
286.13586	1.7
287.10715	6.0
288.08124	2.0
288.11237	1.7
289.12219	4.6
295.11313	2.2
298.13409	1.1
299.10715	2.2
299.14148	1.6
300.11453	1.1
300.15085	3.7
301.12201	5.2
302.12939	3.7
303.10138	25.1
303.13559	2.2
304.10852	4.1
309.12662	2.1
310.13513	2.6
312.11371	1.3
313.12274	1.6
315.13885	1.8
315.17355	1.2
316.14529	6.1
317.11618	3.6
317.14975	1.8
324.36124	2.1
326.13052	3.1
327.13754	2.4
328.14517	1.4
329.11664	1.3
331.09827	5.9
331.16907	25.2
332.17236	2.8
341.15326	6.6
342.15659	1.5
344.14063	3.8
345.11252	1.6
345.14859	2.3
351.13617	1.6
354.12234	1.3
359.16385	100.0
360.16672	9.7
360.52612	1.1
369.10156	1.8
369.14838	42.0
370.15207	3.8
386.39966	4.8
387.15887	47.1
387.40265	2.9
388.16257	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	387.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89004	0.3
53.49999	0.3
70.06575	1.2
70.99966	0.5
72.08141	1.1
76.99580	0.3
81.07034	0.7
84.04502	0.5
85.02885	0.4
86.09710	1.7
95.04995	0.4
98.22784	0.3
107.18878	0.3
114.05476	0.4
116.07022	0.4
119.08541	0.4
119.14414	0.3
130.05067	0.3
142.04956	0.5
163.11182	0.4
203.05316	0.4
207.06406	0.4
210.11255	1.2
225.10905	1.9
225.14937	0.3
287.34821	0.4
309.21246	0.3
313.70068	0.4
343.13751	0.6
369.15247	5.8
370.15363	0.4
372.33432	0.3
387.16235	100.0
388.16507	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	387.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55254	0.3
69.56470	0.3
70.06583	0.4
72.08140	1.4
81.03382	0.3
81.07034	0.7
86.09698	0.9
94.06659	0.3
107.18202	0.3
109.49841	0.3
111.38049	0.3
111.38824	0.3
151.40199	0.3
153.05431	0.3
175.03827	0.3
207.06473	0.7
210.11226	0.8
225.10980	1.3
355.05786	0.3
369.15179	4.5
382.54117	0.3
387.16226	100.0
388.16602	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	387.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17831	0.3
60.24545	0.3
70.06589	0.7
70.55755	0.5
72.08155	0.9
81.07055	0.7
84.04494	0.4
85.02858	0.3
86.09693	0.6
93.07059	0.4
117.03498	0.3
137.98778	0.4
181.04999	0.7
195.06683	0.4
203.05266	2.9
207.09921	0.9
207.13673	0.4
210.11333	0.6
213.15948	0.3
225.11037	1.4
319.14847	0.3
343.13727	0.5
369.15213	4.9
387.16254	100.0
388.16562	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	387.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67824	0.4
54.47029	0.6
55.05511	0.6
67.05496	1.6
69.07071	1.1
69.15498	3.6
76.95466	0.5
79.05478	0.9
81.07054	3.0
83.01100	1.0
83.96780	0.5
86.12840	0.5
91.05514	0.6
93.07051	1.7
95.08608	2.2
105.07011	1.2
107.08581	2.1
109.06528	1.2
109.10137	1.5
119.08567	1.2
121.10142	1.3
133.10228	0.8
142.60422	0.5
159.11694	0.6
161.13232	1.0
167.18394	0.5
176.01418	0.5
327.22919	63.6
328.23337	5.6
368.25473	0.7
387.25027	100.0
388.25424	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	387.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
63.38135	0.7
67.05496	1.6
69.07049	1.4
69.95724	2.0
79.05474	2.9
81.07057	10.8
83.01087	3.4
88.97699	0.6
91.05502	1.3
91.73443	0.6
93.07047	1.8
95.08594	3.8
98.22740	0.9
105.07036	3.8
107.08573	2.7
109.10146	1.9
117.07018	0.9
119.08568	5.3
121.10131	1.3
123.11672	1.1
131.08566	1.8
133.10120	3.9
135.11716	1.6
137.05946	3.5
145.10130	6.9
145.97000	0.7
147.11679	1.2
149.13237	2.8
157.10075	0.8
159.11681	1.1
161.13246	7.8
175.14804	7.0
179.14281	9.1
185.13397	0.7
187.14775	3.1
189.16412	1.4
199.14899	0.9
201.16263	0.7
208.80609	0.6
227.14084	2.9
237.06172	0.9
246.15964	1.7
305.77277	0.8
309.22003	1.0
327.22910	41.5
328.23264	3.1
387.25027	100.0
388.25281	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	3.3
57.03420	6.6
62.48775	1.9
67.05505	2.8
67.61857	2.2
69.03415	5.7
70.06589	3.7
75.04481	21.7
79.05480	6.2
81.07050	7.9
85.02894	4.7
86.09703	2.9
91.05473	12.8
93.07040	100.0
95.01335	14.0
95.04961	4.2
95.08583	2.6
97.02903	22.8
98.97579	3.2
103.38366	2.1
105.07057	13.2
111.08085	14.0
113.02357	16.9
116.76327	2.3
119.08578	2.4
121.10136	83.8
122.10475	3.3
123.00797	26.1
123.08095	2.7
123.11672	2.8
125.02345	5.1
131.08537	2.7
137.05962	3.2
139.11156	12.3
141.01825	15.9
143.03371	16.1
146.09625	20.4
149.09615	15.5
167.10680	56.5
168.11012	3.3
169.01276	16.9
176.10747	3.2
182.05353	2.6
187.02344	9.0
188.06993	3.1
190.12262	54.4
191.12839	3.1
205.09814	2.3
225.60129	1.9
238.87718	2.0
346.35800	2.1
388.13968	5.1
388.17780	38.7
389.17807	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01870	9.3
57.03434	6.3
57.03712	1.1
60.33258	1.0
61.02921	7.7
68.32485	1.0
68.99803	3.7
69.03426	36.2
71.04992	4.7
73.02916	8.4
81.03417	26.4
85.02904	100.0
86.03249	1.2
87.00829	49.6
91.03975	1.3
91.33533	1.2
97.02888	34.8
97.03484	2.5
98.23434	3.2
99.04440	13.2
100.99742	1.0
101.02409	1.7
103.03912	1.5
105.01865	71.5
105.07033	12.3
108.04480	3.9
108.42393	1.1
109.02876	32.3
115.03902	1.4
117.01846	3.1
126.05553	2.3
127.03914	77.7
128.04185	1.7
129.01884	3.4
145.04951	39.5
145.31129	1.2
147.02901	2.4
159.02890	18.3
189.03999	3.8
198.85039	1.2
213.03938	3.8
213.09224	1.4
231.05000	25.8
231.10265	1.4
248.07758	2.2
249.06052	8.3
370.45511	1.1
392.42856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87303	3.4
52.13131	3.5
55.05505	4.7
59.04998	7.0
71.04507	3.6
71.42929	5.2
77.00598	53.6
84.08134	20.3
95.01631	100.0
95.08636	4.7
103.03925	12.5
105.07068	5.1
107.08604	4.3
109.03188	7.9
112.07629	14.5
113.02673	7.1
117.03716	7.2
121.03129	10.4
123.08041	7.6
131.05240	9.8
133.03162	10.1
145.06786	27.8
147.04678	13.2
156.06561	13.6
159.04744	4.2
170.11761	16.6
175.07857	46.4
179.03738	4.9
203.07297	56.1
205.97606	3.8
247.09933	38.0
317.31381	3.9
335.15091	20.8
345.15118	10.9
389.13950	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.8
59.45019	2.5
67.05491	13.7
69.03432	5.7
79.05505	12.6
81.03387	3.7
81.07056	5.8
91.05473	7.6
93.07045	6.9
95.04953	3.2
95.08601	23.9
97.02886	9.3
105.07018	36.8
107.04950	4.6
108.05731	6.9
109.06509	5.5
115.28747	2.2
122.07237	2.6
123.08059	97.1
124.08376	3.4
133.06487	15.2
147.13205	2.5
151.07521	100.0
165.09100	3.2
169.08585	5.3
173.12331	3.0
178.59998	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	389.1725
Annotation	GS-3
Peak:m/z	Relative Intensity
70.38737	7.7
75.60989	2.4
85.07770	2.5
87.35244	2.6
133.13670	2.3
170.35628	2.8
291.30740	2.7
327.20367	2.9
366.59338	2.8
389.17249	100.0
390.17624	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	389.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
57.07066	4.1
57.11348	3.7
67.05508	24.7
69.03409	6.5
69.07070	4.0
69.50719	3.4
70.69817	7.1
71.04991	16.3
72.08143	11.8
79.05489	23.0
81.03396	6.5
81.07030	11.3
83.04985	8.4
85.02898	7.1
85.06052	7.3
85.06535	100.0
86.09693	15.1
91.05467	29.7
93.07028	24.2
95.04953	13.2
97.06498	6.9
99.08085	6.1
105.07048	20.1
107.04913	15.0
107.08571	20.5
108.08881	4.0
109.06529	5.8
111.04434	11.9
117.06986	7.9
119.08568	17.4
121.06505	19.8
121.10113	18.6
129.06990	7.1
131.08553	69.3
135.11642	3.6
143.08510	3.9
145.10086	26.4
147.08073	5.3
149.06032	7.3
149.09598	62.0
153.05434	4.4
163.11195	21.3
165.09096	11.0
167.06996	9.0
167.10675	33.3
173.09587	8.6
173.12843	5.6
191.10660	62.3
209.04099	5.4
209.11707	78.3
227.12759	64.1
227.14734	3.3
246.13210	5.3
357.29492	4.1
399.78973	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	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.52298	5.2
53.28091	5.3
53.88191	5.6
57.07090	6.7
67.05496	33.0
69.03445	8.9
69.07092	7.4
70.06599	5.9
70.94903	8.0
71.04980	14.7
79.05491	38.0
81.07064	7.6
83.04984	10.5
85.06541	100.0
86.06916	5.5
86.09682	8.2
89.48640	5.8
91.05489	25.1
93.07061	23.8
95.04984	11.1
105.07047	23.0
107.04966	15.7
107.08590	31.3
111.04450	12.9
117.07037	6.4
119.08559	15.2
121.06532	16.7
121.10144	23.2
123.04451	7.7
129.07028	8.5
131.08569	71.9
135.01677	5.1
137.09619	10.2
145.10109	33.8
147.08038	10.0
149.05966	5.7
149.09618	65.7
153.05438	7.0
163.11133	21.2
165.09125	12.1
167.07181	6.0
167.10699	34.2
173.09673	9.4
178.78767	4.9
185.27728	5.3
185.32452	5.6
191.10649	66.6
192.10167	8.2
209.04063	14.9
209.11731	73.3
227.12756	69.1
239.83206	5.5
317.14600	5.9
346.73212	5.8
390.15472	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	389.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86449	2.1
53.03934	3.1
55.01878	2.7
55.05513	24.3
62.58778	1.9
65.03936	3.4
67.05511	14.8
69.03426	69.8
69.07067	4.0
71.63247	2.2
77.25920	1.7
79.05482	15.2
81.03417	38.3
81.07054	14.6
83.04977	59.8
91.05476	26.1
93.07033	14.1
95.04963	13.5
95.08597	10.6
97.06518	2.5
103.05522	2.2
105.07021	33.6
106.33189	1.9
107.04992	2.6
107.08597	13.7
109.06528	7.8
109.10120	3.2
111.04437	100.0
115.05419	4.3
116.06195	2.8
117.07003	26.1
119.08563	15.4
121.06506	4.0
121.10176	2.5
123.08069	3.2
128.06235	8.0
129.06998	13.3
130.07816	4.7
131.04918	2.2
131.08565	41.5
131.09465	3.3
133.06523	5.1
133.10138	8.2
135.08087	4.7
141.06970	10.0
142.07770	8.9
143.08530	22.7
144.09306	3.3
145.06459	8.5
145.10127	33.6
147.07976	4.7
147.11650	5.0
153.06996	5.8
155.08543	13.6
156.09338	8.7
157.10107	17.2
159.08070	6.3
159.11711	11.4
161.09637	5.8
161.13231	3.4
165.06956	3.8
166.07840	5.1
167.08617	5.1
168.09369	7.5
169.06737	2.2
169.10117	10.4
171.11708	15.4
173.09673	8.1
173.13251	76.8
175.11221	3.4
178.07675	2.7
179.08586	4.3
181.10130	8.3
183.08223	2.2
183.11688	16.9
185.13220	4.6
187.11160	5.0
189.12772	10.3
191.10715	7.8
191.14302	4.9
193.10083	4.8
195.07985	3.3
195.11703	9.2
197.13322	3.8
199.11217	5.2
201.12735	18.4
205.10172	3.7
207.11772	3.5
209.09573	4.0
209.13231	3.2
211.11253	2.9
217.10193	3.9
219.13768	16.4
221.09644	3.0
221.13254	5.6
223.11292	3.1
229.12366	3.3
237.16451	2.6
243.13701	2.9
247.13182	3.2
265.15921	8.1
283.16934	3.9
293.15192	3.7
311.16446	12.4
329.17459	6.2
347.18515	5.5
389.19461	27.6
401.79999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.00100	1.9
55.01860	2.5
55.05256	2.9
55.05507	22.4
57.07054	3.0
63.76569	2.0
65.03943	3.0
67.05505	12.6
69.03426	68.5
69.07045	2.7
69.21433	9.0
70.06579	5.1
79.05489	11.9
81.03414	36.0
81.07043	10.3
83.04977	59.5
84.08105	1.9
85.06519	2.7
88.07608	2.4
91.05470	22.6
93.07047	12.7
95.04974	14.8
95.08634	9.9
95.90466	2.0
97.06512	2.2
103.05437	2.4
105.07028	27.4
107.04945	4.6
107.08574	11.9
109.02911	2.9
109.06500	8.4
111.03664	4.8
111.04439	100.0
115.05467	3.2
117.07011	21.4
119.04936	2.8
119.08592	20.9
121.06489	5.7
121.10116	4.1
123.08063	2.7
128.06223	8.0
129.06987	18.8
130.07790	3.1
131.04886	3.2
131.07651	3.9
131.08566	44.7
133.06509	4.3
133.10103	8.1
135.08072	5.2
141.06979	6.7
142.07796	9.6
143.08553	22.3
144.09348	2.8
145.06467	7.1
145.10126	34.5
146.11699	2.2
147.08047	4.3
147.11656	4.4
149.09608	2.9
149.13257	2.2
153.06984	4.7
154.07788	2.4
155.08536	11.8
156.09340	7.8
157.10120	16.6
158.10901	5.8
159.08002	6.0
159.11681	16.7
161.09613	5.9
161.13300	4.6
163.14801	3.6
165.06982	3.3
165.09073	3.7
166.07828	2.9
167.08525	8.2
168.09315	5.4
169.10115	10.1
171.08060	3.5
171.11691	13.3
173.09602	6.9
173.11850	4.3
173.13257	71.4
174.13556	2.8
175.11119	2.4
179.08646	3.8
181.10106	9.9
183.08025	2.5
183.11729	15.2
185.09644	2.7
185.13214	4.4
189.12762	9.1
191.10672	8.5
191.14232	4.1
192.09296	2.6
193.10201	4.0
195.08081	3.5
195.11670	7.7
197.09633	2.2
197.13303	6.3
199.11221	3.1
201.12755	18.9
204.09258	2.1
205.10069	3.6
206.10793	2.6
207.11722	3.6
208.12347	2.1
209.09668	3.5
209.13197	3.3
215.14349	3.1
217.10168	2.2
217.12270	3.7
219.13766	18.3
221.13258	3.6
223.15004	2.1
229.12140	3.9
232.12398	2.9
237.16521	2.4
247.13062	2.1
247.15247	2.2
265.15857	3.4
283.16977	3.6
284.29431	3.4
293.15231	3.5
311.16351	6.5
328.32178	9.9
329.17572	4.4
347.18558	2.9
371.13367	2.0
389.19263	25.2
390.35721	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.25404	0.6
55.01856	1.6
57.03436	8.6
65.03928	3.0
66.24200	0.6
67.05497	20.8
67.48731	0.6
69.07073	0.7
69.47614	3.2
77.03939	0.6
79.05486	1.7
81.03410	59.8
81.07049	2.0
91.05488	2.9
93.06455	0.7
93.07011	3.1
95.04961	100.0
95.08632	1.1
96.05295	1.7
97.06535	0.8
105.07001	4.3
107.04942	1.5
107.08591	3.2
109.06530	1.0
109.10165	2.7
111.08067	0.9
119.08579	5.1
121.06500	1.2
121.10104	1.1
122.97161	0.8
123.04420	61.8
123.08049	3.3
123.11674	0.7
124.04741	1.1
129.06984	0.8
131.08549	2.5
133.10126	12.9
134.10487	0.8
135.04422	1.9
135.08038	9.3
138.78011	0.6
141.05455	3.9
141.06946	0.8
142.07722	1.0
143.08545	2.8
145.06491	1.6
145.10056	3.5
147.08047	1.5
147.11684	1.8
149.09610	13.9
151.11157	6.2
156.09344	2.5
157.10136	2.1
159.08015	1.3
159.11694	1.6
161.09644	1.7
161.13274	2.1
163.11206	0.8
165.09076	0.7
165.12704	5.1
167.08585	1.0
169.10092	1.2
171.11685	3.0
173.09587	1.9
175.11201	1.3
177.12721	2.5
181.10184	0.7
183.11707	1.3
187.11154	1.2
189.09109	0.9
189.12723	26.3
190.13071	1.2
193.10065	0.8
195.11732	0.8
197.13266	0.8
207.13792	21.5
208.14125	0.8
251.14330	0.7
269.15320	0.8
271.13269	1.6
274.63693	0.7
293.15158	0.7
299.16190	0.7
311.16376	2.6
327.59509	0.7
329.17441	2.3
389.19543	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.3
56.05025	6.1
67.05510	11.0
69.03432	10.3
69.07080	9.8
71.04989	6.8
71.43681	4.1
79.05494	6.9
80.05278	4.2
80.84234	4.9
81.07050	13.2
83.08633	8.3
84.08147	78.1
85.02905	13.3
91.05480	6.4
95.08608	6.1
97.02884	6.7
97.10159	15.3
105.07037	12.8
107.08574	30.3
109.10184	5.1
110.05965	6.1
111.08039	5.4
112.07600	100.0
119.08569	6.1
121.10149	6.8
123.08067	18.7
125.09655	12.4
131.08627	4.8
133.10118	37.7
147.11688	11.4
149.13264	7.4
151.07556	14.9
151.11166	7.1
156.06534	63.4
161.88910	5.2
163.14914	5.0
163.47467	4.6
165.12793	7.9
167.06982	5.4
170.11758	94.2
171.11987	5.1
173.13268	18.9
188.12805	16.7
189.11166	6.4
191.14355	26.2
199.84079	4.4
202.07024	5.2
209.15356	24.8
219.09785	9.0
221.83771	4.7
227.16388	28.7
301.92471	4.7
305.72150	5.3
334.54944	5.8
345.15234	14.3
371.17896	6.5
385.81186	4.7
389.08984	10.9
389.14001	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47183	1.0
69.47588	0.8
70.06580	0.8
91.05488	0.6
92.40900	0.4
98.22703	0.7
100.87260	0.4
102.56506	0.3
105.07053	0.5
121.52422	0.4
130.41846	0.3
133.10081	0.5
203.12520	0.4
284.29440	1.0
328.32083	1.4
348.15985	0.8
349.16779	0.8
389.22943	100.0
390.23257	8.6
390.35748	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.5
70.06579	1.4
78.07627	0.4
80.90406	0.5
81.07079	0.6
88.07623	0.8
94.88439	0.4
95.04915	0.5
132.10184	0.5
145.10162	0.8
146.11765	0.6
178.85995	0.5
315.47296	0.4
328.32040	1.8
389.22949	100.0
390.23257	9.1
390.35614	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
56.22202	1.3
67.05500	3.7
71.04965	1.7
71.43756	1.6
79.05464	2.0
81.07054	3.7
91.05472	3.2
93.07047	3.8
95.04987	1.9
95.08595	2.0
105.07027	4.9
107.08620	2.3
117.07011	2.2
126.56831	1.5
133.10127	2.2
149.09624	1.9
259.17764	1.8
303.19308	1.8
353.24835	2.1
371.25574	100.0
372.25900	11.2
389.18045	2.1
389.26700	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2274
Annotation	Oxotuberostemonine
Peak:m/z	Relative Intensity
54.46497	0.9
55.01867	5.9
55.05493	3.2
56.05025	2.5
57.03434	5.3
61.76078	0.9
62.06080	1.8
63.74473	1.1
67.05495	6.7
69.03428	1.5
69.07064	1.8
69.19379	3.0
69.19785	2.4
70.02956	0.9
70.06593	1.6
72.04517	5.5
73.83563	0.8
74.06077	7.3
79.05492	2.6
80.05002	1.9
81.07044	2.6
82.02934	2.2
82.06561	4.2
83.04974	2.1
83.08601	0.9
84.25658	0.9
88.03961	1.3
88.07619	1.3
91.05473	5.7
93.03384	1.5
93.07048	4.3
94.06554	12.0
95.04958	2.4
95.08596	1.7
96.04496	5.4
96.08143	0.9
97.06522	2.2
98.06042	2.9
100.07594	2.3
105.07028	6.2
107.04956	1.6
107.08594	3.9
108.08101	7.6
109.06493	1.2
110.06036	10.9
111.08060	1.1
112.07599	8.2
117.07008	1.8
119.08563	8.4
121.06485	4.9
121.10104	1.6
122.06024	40.4
123.08090	2.1
124.07590	3.8
126.05512	18.7
126.09143	4.9
127.06251	1.0
128.06242	1.9
128.07076	5.2
129.06992	2.1
131.08568	4.5
133.06528	1.7
133.10109	4.0
133.54700	0.9
135.08032	2.4
135.11615	1.1
136.07542	8.8
137.09610	3.1
140.07056	52.1
141.07266	1.0
142.07741	2.7
142.08716	1.1
143.08522	6.0
144.09293	1.5
145.06422	1.7
145.10112	4.4
147.08061	4.7
147.11676	5.6
149.09630	4.6
151.11180	1.3
152.07059	4.4
153.07214	1.0
154.08627	27.5
154.12234	2.5
155.08624	2.3
156.09337	4.8
157.10129	8.7
158.10880	1.1
159.08032	3.6
159.11678	5.4
161.09637	7.4
161.13271	2.9
163.11151	1.4
164.07036	1.3
164.10712	3.6
167.08531	1.2
169.10046	6.0
169.54330	1.0
170.10883	2.4
171.07834	1.3
171.11684	15.3
172.12085	1.1
173.09642	6.2
174.10252	1.3
175.11166	6.7
175.83881	0.9
180.10207	1.4
181.10103	2.4
182.08121	32.3
182.11765	9.5
183.08315	2.3
183.11668	6.0
184.12399	2.2
185.09607	3.9
185.13266	6.2
186.10393	1.7
187.11200	4.9
189.12714	10.0
191.14288	1.4
194.10986	1.3
195.11703	1.3
197.09622	1.8
197.13263	3.1
199.11205	9.2
199.14775	8.8
200.11620	1.4
201.12701	1.6
203.10596	1.7
203.14262	1.4
209.13191	5.3
211.11345	1.1
211.14784	1.2
212.11984	2.7
213.12726	6.3
214.13516	10.0
215.14267	3.5
217.12070	1.0
219.13889	1.2
220.13188	1.1
223.14813	1.2
227.14282	26.9
233.15263	1.2
236.12895	2.1
238.14333	1.3
239.14326	1.0
245.15390	8.6
246.15056	1.2
248.12823	9.1
249.16414	2.0
253.15823	1.3
263.16452	3.9
265.15845	2.5
266.13895	9.1
267.17401	1.8
276.16040	1.2
284.16232	2.4
286.14349	1.1
288.16058	1.6
288.19485	1.2
298.18048	5.4
299.48883	1.2
300.15970	2.3
302.17456	4.0
312.19736	2.2
314.17599	1.4
316.19122	7.1
326.21222	4.3
334.20139	1.1
336.19699	6.8
344.22046	1.8
354.20624	27.1
355.20963	2.7
372.21664	100.0
373.21991	9.0
390.22708	55.2
391.23083	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	390.2275
Annotation	Oxotuberostemonine
Peak:m/z	Relative Intensity
53.03957	1.0
55.01870	4.8
55.05522	1.7
56.05031	1.9
57.03433	3.0
58.04792	0.9
61.81307	0.8
62.06085	1.1
64.76312	0.8
65.03938	0.9
67.05502	5.5
69.03427	1.6
69.36026	4.7
70.02956	1.0
70.06609	3.0
72.04521	4.1
74.06076	5.2
78.60495	1.0
79.05505	1.8
80.05013	2.2
81.07083	2.3
82.02939	1.7
82.06588	3.0
83.04976	1.9
87.04477	2.1
88.04003	1.2
91.05492	4.1
93.03398	1.5
93.07055	3.2
94.06562	11.8
95.04980	2.2
95.08627	2.1
96.04509	4.0
98.06071	3.4
100.07636	1.6
105.07024	4.6
107.04980	1.0
107.08631	1.9
108.08102	6.5
109.05284	0.9
109.06542	2.0
109.10083	1.0
110.06050	7.5
111.08109	1.6
112.07593	5.9
119.08555	6.4
121.06520	3.4
121.10169	2.0
122.06032	31.5
123.08090	2.2
124.07647	1.8
125.09610	1.5
126.05502	13.2
126.09171	2.9
128.07112	3.4
129.07043	2.3
131.08588	4.6
133.06473	1.3
133.10173	3.8
134.09720	1.0
135.08054	2.0
136.07593	6.3
137.09615	2.5
140.07059	51.1
142.07806	1.5
143.08566	5.3
145.10149	3.8
147.08066	4.6
147.11705	3.5
149.09602	5.2
152.07135	2.1
153.07063	0.9
154.08633	21.1
154.12315	1.9
155.08597	1.8
156.09386	2.9
157.10165	7.6
159.08147	2.7
159.11780	4.0
160.08807	1.9
161.09602	5.9
163.11157	1.7
164.10771	2.1
167.08629	1.1
169.10135	6.6
170.10919	2.4
171.11673	12.5
173.09695	4.2
175.11220	6.7
175.14952	1.0
177.12685	1.2
179.08540	1.1
180.10329	2.1
181.10190	1.6
182.08113	28.7
182.11757	7.1
183.08427	1.4
183.11696	5.2
185.09674	2.9
185.13246	4.3
186.10316	1.1
187.11261	2.7
189.12740	8.4
195.11722	2.3
197.09673	1.5
197.13261	1.4
198.10483	0.9
199.11172	8.4
199.14845	7.4
201.12814	1.6
203.10706	1.8
203.14359	1.2
209.13298	4.4
211.14696	1.5
212.12000	2.3
213.12674	6.3
214.13507	9.2
215.14378	2.8
217.12399	1.0
218.11568	0.8
219.13766	1.0
220.13341	1.1
221.69113	1.2
225.12840	1.3
227.14294	21.8
227.16270	1.3
228.14708	1.3
235.14926	1.5
236.12871	1.9
239.14397	1.0
245.15378	5.5
246.15184	2.8
248.12877	6.2
249.16457	2.0
261.46844	1.1
265.15851	2.3
266.13846	7.9
267.17560	0.9
267.69098	1.1
286.14880	1.3
286.18161	2.9
288.19662	0.9
298.18073	4.2
300.16049	2.5
302.17502	4.3
304.19165	1.2
312.19687	2.3
316.19049	6.3
317.19852	1.2
326.21124	1.9
334.20404	1.0
336.19498	5.4
344.22290	2.0
354.20587	23.8
355.21054	2.0
372.21689	100.0
373.21918	7.1
390.22946	58.6
391.23331	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	390.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49979	1.3
57.87871	1.4
58.06600	1.7
60.08164	78.4
69.03403	1.7
71.14671	2.1
80.27620	1.2
81.03435	2.2
84.08135	2.1
85.02927	1.9
89.45985	1.3
95.04975	2.4
107.04957	12.1
118.06554	15.5
121.26200	1.2
125.26067	1.2
127.03950	1.4
142.06534	2.3
143.03354	9.1
144.08203	13.2
144.10196	91.1
145.10495	2.0
146.06009	62.4
147.06331	1.9
149.02374	5.2
160.29138	1.3
170.06036	3.6
181.02965	1.9
184.43974	1.4
188.07060	100.0
189.07458	4.2
191.14313	2.7
219.37941	1.4
247.14420	61.4
248.14822	2.9
257.34726	1.7
300.75388	1.5
349.93008	1.5
397.91986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	2.5
59.06137	1.7
62.24541	1.4
70.06575	1.8
71.15523	1.7
84.04497	2.0
84.05634	2.3
84.08129	4.8
86.09688	4.4
89.03949	2.7
93.67415	1.9
98.66837	2.0
101.02029	2.0
102.06673	7.1
107.03314	1.9
112.01189	3.6
113.00844	4.0
117.03391	5.9
119.01933	5.6
124.03586	6.6
130.02188	3.3
131.01898	20.0
137.02010	1.7
139.02263	20.3
140.02977	2.1
141.03816	14.6
142.03592	3.4
142.04608	20.4
144.02650	5.2
144.06187	3.3
145.02757	11.4
147.04402	2.1
149.02336	17.2
153.03734	1.7
153.05058	1.9
154.04559	2.1
155.03043	1.7
157.03331	44.9
158.03316	1.9
159.04907	31.8
160.05681	26.8
161.02942	1.8
162.07225	2.3
165.03976	1.7
167.03186	2.1
168.03844	3.2
169.03416	2.2
170.04094	3.5
172.05685	5.3
177.05460	18.5
180.06145	11.3
183.04889	29.0
184.05724	2.4
187.04398	2.8
191.05363	7.9
192.02667	2.2
195.04904	13.2
196.05699	20.5
197.06210	2.7
198.07228	25.4
201.02571	1.8
201.05933	20.7
202.06676	2.7
207.04962	2.0
208.05765	2.3
209.06438	20.6
210.06657	1.9
213.06017	2.4
214.06746	12.4
217.03574	2.6
220.02086	8.4
221.02899	6.0
224.05080	5.3
225.05925	7.9
226.06596	2.7
227.07507	15.7
235.04521	17.8
236.05049	2.2
237.05956	3.9
238.03159	7.7
238.06691	2.0
239.03793	2.6
242.06181	4.6
244.02298	2.6
247.05246	2.7
249.05930	2.4
250.03935	2.2
254.06049	2.0
255.07043	2.4
259.04559	12.3
262.03198	7.9
263.04047	2.7
267.07040	4.9
271.04996	6.3
273.06683	3.3
277.05475	7.9
283.05185	2.3
285.07950	9.2
287.03885	2.7
289.05844	2.1
295.06531	2.4
299.04028	6.0
301.06195	2.6
313.06430	2.8
317.05130	3.2
331.07315	100.0
332.07550	8.3
349.08392	41.0
350.08478	3.2
391.05002	4.2
391.13522	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	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.48542	1.1
55.05509	4.5
67.05502	7.5
69.03429	5.6
71.44037	1.5
72.95751	1.1
77.03954	1.4
79.05480	9.9
81.03414	4.4
81.07063	7.4
83.04977	1.6
85.02893	4.1
91.05482	7.2
93.07045	7.9
95.04956	3.0
95.08599	21.2
97.02862	2.1
98.23339	1.1
99.04504	1.0
103.05439	2.2
105.04511	1.6
105.07021	42.0
107.04961	6.2
107.08615	2.5
108.05731	3.4
109.06527	4.7
123.08064	81.3
124.08356	2.6
125.09610	2.8
127.03899	3.3
133.06482	33.6
149.02336	2.8
151.07530	100.0
152.07838	2.3
169.08614	5.5
181.04916	1.6
295.11810	1.3
313.12943	1.9
391.16324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
53.45813	2.9
55.01873	30.3
55.05507	25.5
57.03433	11.9
57.07074	4.1
61.02931	3.5
65.03923	3.7
67.05504	30.2
68.99781	5.0
69.03429	27.1
69.07064	6.0
70.06593	31.1
70.67641	4.5
70.67982	3.4
71.04992	28.2
71.08624	5.5
72.08164	4.7
73.02916	30.2
79.05511	15.0
81.03409	32.3
81.07050	12.5
82.06587	3.4
83.04967	20.7
83.08614	8.4
84.04501	5.1
84.08128	6.2
85.02899	55.3
85.06551	6.7
86.09709	16.3
87.00842	24.1
91.05474	5.5
93.07035	7.0
95.04979	14.4
95.08595	6.3
96.49284	2.8
97.02872	20.1
97.06537	5.9
97.10172	12.5
99.04453	7.9
99.84837	3.0
101.06026	3.3
103.05466	3.3
105.01875	12.7
105.06993	6.9
107.04955	6.7
107.08595	11.0
109.02882	23.1
109.06474	3.4
109.10149	36.3
117.01846	3.5
117.06910	3.3
119.08557	5.0
120.08103	8.5
121.10145	7.9
123.04448	3.6
125.05975	16.3
125.09624	100.0
127.03915	28.9
127.11190	48.3
128.07063	3.9
129.01846	4.2
131.08525	4.7
137.05963	4.4
143.10669	22.9
145.04974	12.1
145.12221	3.7
147.02994	3.6
147.04388	3.5
147.68561	2.7
149.02338	36.3
149.05984	5.4
149.09630	22.5
159.02931	18.8
159.09207	8.9
167.10686	31.2
177.05421	4.3
181.04930	19.5
188.07024	3.0
188.93210	3.0
191.14294	4.8
209.11737	5.9
227.12914	3.8
229.08586	4.9
231.05006	4.8
233.11736	6.2
242.14952	2.9
244.12949	6.7
245.09372	4.8
391.11041	3.1
391.15576	11.2
391.19296	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	391.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20740	0.2
53.03936	0.8
54.15645	0.2
55.01868	0.7
55.05507	15.5
55.23254	0.2
55.34539	0.2
57.03426	0.3
57.07054	0.4
61.31882	0.2
67.05493	0.8
69.07063	0.2
69.25719	1.3
79.05486	1.1
81.07047	2.4
83.04975	100.0
83.08592	0.3
84.05318	1.5
91.05469	2.0
93.07035	1.7
95.04955	0.6
95.08581	0.3
98.22704	0.4
105.07017	3.6
107.04966	0.3
107.08587	0.4
109.06507	2.5
112.99252	0.5
113.00014	6.7
115.05457	0.6
117.06993	0.9
119.04921	0.8
119.08566	0.8
121.05630	0.2
121.06494	4.6
121.07317	0.4
121.10158	0.4
128.06238	0.7
129.06993	3.8
131.08562	1.5
133.06476	0.6
133.10121	0.8
134.07211	0.5
135.04402	2.7
135.08044	0.3
135.11699	0.2
139.07527	1.2
141.07047	0.3
142.07730	0.3
143.08594	1.1
145.06485	3.1
145.10120	0.3
147.04399	3.5
147.08031	1.9
147.11742	0.2
149.02361	0.7
149.09550	0.3
155.08548	1.4
159.08035	0.6
160.08868	0.5
161.05963	0.8
161.09612	1.4
165.07010	0.7
166.07742	1.0
167.08589	0.4
169.02599	5.9
169.06526	0.2
169.10106	0.3
171.08037	1.1
173.05951	0.8
173.09566	0.5
175.07542	0.4
179.08559	0.8
181.10193	0.3
182.07243	0.3
183.11664	0.3
187.07349	0.2
192.09351	0.6
193.10248	0.2
194.10905	0.3
195.08066	0.5
195.11652	0.4
196.08769	0.3
197.05937	0.7
197.09625	0.5
198.06790	0.3
199.07539	5.8
199.11121	0.5
201.09111	0.5
201.12714	0.9
207.08015	0.3
209.09628	0.3
209.13202	0.5
211.11192	0.8
213.12791	0.3
214.09831	0.3
215.06946	0.2
218.10623	0.3
219.11595	0.3
220.08705	0.2
221.09680	0.3
222.10361	1.1
223.11156	0.6
225.09116	4.6
225.12766	0.8
226.09607	0.2
229.09967	0.3
229.12209	4.4
231.13736	0.9
232.08804	0.4
235.11147	2.1
237.12711	6.4
238.13104	0.5
239.06990	0.3
239.10609	0.4
243.13789	0.5
246.10425	0.3
247.11224	0.6
253.12245	0.6
261.12637	0.5
263.10648	0.6
263.14383	0.4
265.12222	0.8
277.12225	0.3
279.13824	1.5
281.11716	7.1
281.15292	1.4
282.12094	0.3
289.12256	1.4
291.13791	0.8
307.13257	11.8
308.13641	0.9
309.14746	1.8
327.17456	0.4
335.12900	1.7
345.18359	1.7
346.18765	0.4
355.16904	0.9
363.19592	1.0
373.17865	1.4
391.19012	9.6
391.24127	0.5
392.19379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33442	0.2
55.05506	0.4
56.62188	0.2
57.03431	0.3
65.44550	0.2
67.05508	0.4
68.42870	0.2
69.07069	0.3
70.06574	0.3
72.43660	0.2
79.05483	0.3
81.03429	0.5
81.07058	0.3
83.04977	0.4
86.00629	0.2
93.07063	0.3
95.04971	0.3
95.08630	0.2
97.06531	0.3
105.07030	0.4
107.08579	0.4
109.10155	0.2
119.08517	0.4
123.08065	0.4
125.09570	0.4
133.10132	0.4
140.07086	0.6
145.10130	0.5
149.02356	1.8
157.09975	0.2
159.11700	0.6
173.13322	0.3
191.14366	0.4
198.88074	0.3
218.69203	0.3
237.83362	0.2
247.94093	0.3
356.22116	0.4
373.21436	0.3
391.20865	100.0
392.21143	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	391.2113
Annotation	CHEBI:67666
Peak:m/z	Relative Intensity
50.89917	1.5
52.35939	1.8
53.03941	5.0
55.01867	4.0
55.05504	5.4
57.03434	18.8
57.07071	2.1
65.03951	4.0
67.05499	22.4
67.05833	2.5
69.03432	6.2
69.07064	18.6
71.05000	1.7
71.30237	1.4
79.05477	7.2
81.03412	65.6
81.07043	8.8
82.03758	2.0
83.04988	6.9
83.08642	1.7
91.05471	11.1
93.07062	11.4
95.04964	84.7
95.08600	13.9
97.06528	20.7
99.04465	1.7
100.39194	1.4
105.07026	15.1
107.08570	18.3
107.09136	1.5
109.06512	9.3
109.10162	16.0
111.08082	2.5
113.06011	4.0
115.05453	1.8
117.07024	4.8
119.08572	17.7
121.06493	10.6
121.10143	11.0
123.04424	29.0
123.05293	2.6
123.08051	17.0
123.11703	2.8
125.09621	3.4
129.07013	4.1
130.07713	2.4
131.08549	13.3
133.06519	2.3
133.10118	17.3
135.08052	12.3
135.11690	10.4
137.05980	3.6
137.09634	5.8
141.07021	1.8
142.07767	3.5
143.08591	11.6
144.09297	3.5
145.06485	11.9
145.10109	14.5
147.08041	10.8
147.11681	8.5
149.02390	3.9
149.09648	6.4
149.13300	3.2
151.07538	2.6
151.11143	10.6
155.08582	5.5
156.09254	3.7
157.10127	8.9
158.10922	12.5
159.08095	6.8
159.11681	5.6
160.08661	1.9
161.09607	20.9
161.13266	3.1
163.07565	3.3
163.11211	3.8
163.14812	2.6
165.07016	1.5
167.08545	2.1
167.14345	2.7
169.10223	3.4
170.10851	2.4
171.08055	4.2
171.11687	9.2
173.09615	10.3
173.13251	36.3
174.10451	1.8
175.07581	2.2
175.11156	9.6
176.11932	12.6
177.12747	3.8
179.07098	3.2
179.08487	2.2
179.10692	10.9
181.10139	2.7
183.07980	3.1
183.11661	2.4
184.08838	1.8
185.09616	5.7
185.13359	3.5
187.07510	2.3
187.11137	8.1
189.09184	5.1
189.12755	7.1
191.14299	100.0
192.14729	5.0
196.12587	1.7
197.09634	4.2
197.13309	3.5
199.11180	6.4
199.14899	1.7
201.09093	2.0
201.12762	4.3
203.10735	3.6
203.14331	3.5
205.12233	5.2
209.09650	2.2
209.13438	2.2
209.15329	15.7
211.11220	7.1
211.14818	2.7
213.09090	1.7
213.12726	8.9
215.10550	1.9
217.12228	4.7
219.13751	9.9
223.14771	1.7
225.12688	2.4
227.10562	2.6
227.14355	4.9
229.12254	4.0
229.15843	2.2
231.13756	8.2
239.14346	5.5
241.12219	3.2
241.15898	4.7
243.13857	1.8
245.15366	5.0
251.14445	1.9
253.15848	2.2
257.15421	9.8
267.17480	3.9
269.15375	4.8
271.16971	4.9
285.18515	4.9
287.16513	3.8
293.10687	2.2
295.16891	7.7
313.17957	25.6
331.18997	11.6
355.19199	2.2
391.23053	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	391.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05504	2.0
57.03435	18.3
57.07064	1.3
58.86051	0.9
59.05006	1.0
60.86885	0.9
65.03935	2.1
67.05499	21.7
69.03451	1.5
69.07055	1.7
71.04990	2.1
71.41766	1.0
73.90734	0.8
79.05499	2.8
81.03413	61.2
81.07024	4.5
82.03741	2.0
83.04987	2.9
91.05482	5.0
93.07043	6.8
95.04962	68.9
95.08605	9.0
96.05296	1.2
105.07020	9.1
107.04965	1.5
107.08591	9.3
109.06500	6.2
109.10158	8.8
111.08086	0.9
115.05465	0.9
117.07011	1.7
119.04873	1.0
119.08580	11.6
120.08871	0.9
121.06519	6.3
121.10141	8.0
123.03530	1.3
123.04423	26.1
123.08071	7.6
123.11691	1.6
124.04765	1.2
125.09624	1.1
128.06238	1.5
129.06998	2.9
130.07782	1.7
131.08560	11.4
133.06509	2.4
133.10133	11.2
135.08043	5.1
135.11691	7.2
137.06009	2.5
137.09622	3.9
141.05449	1.1
142.07756	1.4
143.08537	8.4
144.09334	3.1
145.06487	9.0
145.10123	14.1
147.08035	4.8
147.11710	2.8
149.02348	2.7
149.05945	1.2
149.09644	2.3
149.13271	3.1
151.07539	1.5
151.11177	3.8
155.08502	2.0
156.09369	1.5
157.10127	4.4
158.10898	9.9
159.08067	3.7
159.11609	1.8
161.09605	12.6
161.13206	1.7
163.07538	0.8
163.11172	3.0
163.14830	2.0
165.12717	1.1
167.14296	2.2
169.10100	2.2
171.07962	1.0
171.11714	3.2
173.09636	3.0
173.13251	39.2
174.13614	2.0
175.11203	6.1
176.11955	12.7
177.12752	1.9
179.07050	2.2
179.10670	4.1
183.08102	1.3
183.11684	1.0
185.09651	2.1
185.13310	1.6
187.11182	1.7
189.09105	1.0
189.12776	3.8
191.14293	100.0
192.14609	4.2
193.12323	2.4
195.11644	1.5
197.09631	1.9
197.13239	1.2
199.11214	3.2
201.09180	1.5
201.12733	2.8
203.14386	1.1
208.85374	1.0
209.13478	1.9
209.15355	8.3
211.11136	1.8
211.14806	1.3
213.12784	3.0
215.14394	1.2
219.13721	2.1
225.09196	1.0
225.12688	1.1
227.10638	0.9
227.14334	1.4
229.12233	2.0
231.13829	3.8
239.14342	3.9
241.12215	1.8
245.15459	1.1
253.15936	2.0
255.13846	2.6
257.11774	1.3
257.12595	1.3
257.15369	9.7
267.17413	3.0
271.16977	2.7
275.16299	1.2
277.15942	1.3
280.14474	1.0
285.18466	2.9
295.16797	7.8
313.17941	18.5
314.18289	1.1
331.19061	10.6
332.19363	1.3
355.18967	1.3
373.20120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2113
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
53.03957	3.5
57.03439	17.1
57.07097	1.9
62.61674	2.7
67.05504	19.1
69.07072	2.6
69.74879	4.2
69.75256	3.7
75.02481	2.0
80.32512	2.1
81.03418	53.0
81.07059	6.0
83.04987	3.0
86.96855	2.1
89.62942	2.0
91.05500	6.6
91.35609	2.3
93.07042	4.9
95.04969	74.1
95.08620	9.6
96.94549	2.2
105.07047	7.2
107.08600	8.4
109.06538	5.0
109.10148	8.9
119.08596	9.5
121.06461	3.7
121.10124	8.3
123.04435	22.4
123.08083	7.6
128.06285	2.2
129.07089	2.9
131.08574	8.1
133.10136	12.1
135.08052	4.0
135.11681	9.4
137.06026	2.6
137.09657	2.2
143.08589	10.6
145.06470	9.7
145.10086	11.1
147.08066	4.0
147.63121	2.1
149.09633	2.2
151.11177	4.7
157.10181	3.3
158.10924	8.4
159.11710	2.5
161.09653	9.7
161.13431	2.2
163.11250	2.4
163.14725	4.1
171.11693	3.5
173.09573	2.8
173.13261	36.3
175.11211	5.6
176.11972	12.3
176.13359	2.0
179.10657	4.4
179.12100	2.2
187.11137	2.6
189.12834	3.2
191.14305	100.0
192.14673	7.0
193.12245	2.6
195.11693	2.5
197.09488	2.5
199.11147	2.7
209.15358	6.2
211.11275	2.6
229.12381	3.1
231.13838	2.9
239.14398	3.8
257.15451	7.7
271.16891	3.0
285.18411	3.1
291.43542	2.4
295.16995	5.5
313.17877	18.5
331.19028	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	391.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	21.3
60.13798	4.7
61.56823	4.3
67.05495	22.6
70.52335	8.0
79.05507	8.0
81.03420	73.2
81.07049	8.4
85.23318	4.9
87.72601	5.0
91.05478	10.1
93.07038	8.2
95.04964	100.0
95.08588	9.9
105.07019	15.0
107.08577	9.7
109.06492	25.2
109.10173	6.0
118.96270	4.4
119.08572	21.3
121.06531	7.9
121.10143	14.4
123.04436	26.5
123.08070	6.8
123.11702	5.7
131.08589	15.0
133.10161	26.8
135.04471	8.6
135.08040	7.8
135.11728	7.2
137.09656	18.3
141.05415	7.5
141.09062	5.5
143.08554	10.7
145.06540	11.1
145.10141	12.1
147.08029	7.8
149.02322	27.7
149.09650	5.1
151.11165	6.8
157.10118	9.3
157.59570	5.4
158.10864	13.4
161.09636	13.5
173.13272	36.9
179.10631	7.2
189.12819	5.1
191.14290	67.9
195.77383	5.2
203.14000	5.7
220.31276	5.6
257.15311	11.4
295.16995	6.0
313.17822	23.9
331.19070	9.4
347.10547	7.0
391.24341	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	391.2113
Annotation	Fruticolone
Peak:m/z	Relative Intensity
53.03928	3.4
55.01857	4.9
55.05500	5.3
56.96545	2.2
57.03415	4.3
57.07062	2.7
60.94686	1.3
61.75253	1.1
65.03928	4.3
67.05159	2.1
67.05497	29.6
69.03410	2.2
69.07070	7.3
69.50911	2.8
69.51299	1.9
71.04991	2.5
79.05479	3.6
81.03411	40.3
81.07066	5.5
83.04979	3.1
83.08611	3.7
85.06514	1.4
91.05462	8.0
93.07032	7.9
93.07529	1.2
95.04959	100.0
95.08585	4.9
97.06517	3.6
99.04455	11.0
99.08113	1.9
101.05995	1.3
101.13310	1.3
105.07029	8.2
107.04934	2.9
107.08601	7.3
109.06505	5.8
109.10139	4.0
111.08039	1.3
112.16785	1.3
117.06994	4.5
119.08575	9.0
121.06473	6.6
121.10144	4.5
123.04449	2.4
123.08056	4.2
127.07551	2.2
128.06192	2.5
129.06995	4.7
131.04921	5.4
131.08551	6.7
133.06439	3.2
133.10112	8.4
135.08028	11.0
135.11693	2.4
137.05986	1.8
137.09612	8.3
141.06963	3.8
142.07779	2.1
143.08565	9.1
145.06485	9.1
145.10094	5.7
147.08060	8.8
147.11650	2.3
149.09592	6.3
149.13187	1.5
151.07533	2.5
151.11179	4.1
152.90257	1.2
155.08517	5.9
156.09299	2.0
157.06493	1.9
157.10098	6.3
158.10892	1.2
159.07996	8.5
159.11661	4.5
161.05963	2.0
161.09604	16.5
161.13287	2.2
163.07524	2.9
163.11183	2.8
165.06903	1.8
165.09145	2.4
167.08499	1.5
168.09322	1.8
169.06528	2.4
169.10092	3.4
170.07260	1.3
170.10738	1.7
171.08063	6.2
171.11641	4.2
172.08788	3.5
173.09610	7.6
173.13248	4.3
175.07539	2.1
175.11179	5.3
177.09085	14.5
177.12698	2.7
179.07054	1.9
179.10669	1.4
181.08606	2.5
181.10100	3.6
182.07263	1.9
182.10902	2.3
183.08044	8.9
183.11681	4.3
184.08798	2.4
185.09607	15.1
185.13214	3.4
186.10327	2.4
187.07465	2.3
187.11111	6.5
188.08334	2.5
189.09090	14.9
189.12694	2.9
190.09512	1.8
191.14273	11.5
193.10057	2.7
195.08083	1.6
196.08846	2.5
197.09608	8.6
197.13303	1.3
199.11191	12.0
201.09093	6.1
201.12756	4.1
203.10637	3.7
203.14261	1.8
205.12190	1.7
207.10118	15.1
207.11856	1.8
209.09590	4.4
209.15303	1.7
210.10382	2.5
211.11156	19.5
212.11740	1.5
213.08983	1.5
213.12746	5.5
215.10666	3.6
215.14299	4.2
219.13751	4.6
223.11052	1.6
225.12672	4.4
227.10648	4.5
227.14267	3.6
229.12210	10.7
229.15791	2.0
231.13737	3.9
235.11150	1.7
237.14856	1.7
238.09763	1.3
239.14359	1.3
241.12183	1.9
243.13774	4.2
245.11690	3.6
247.13484	1.8
249.14848	3.7
251.14417	2.0
253.12222	4.0
253.15825	9.5
255.13809	1.6
257.15326	1.7
267.17401	3.1
271.13254	28.4
271.16846	13.7
272.13416	1.9
272.17157	2.1
285.15302	1.3
285.18460	7.5
286.10367	1.4
287.16504	1.2
289.14395	3.2
295.16821	5.7
303.19495	2.0
313.17926	22.3
314.18213	1.9
315.14691	3.7
331.18985	21.6
332.19177	2.0
349.19998	4.8
367.17889	3.4
389.99930	1.2
391.24615	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
60.37237	0.5
67.05484	0.8
70.06591	2.1
81.03411	1.6
95.04947	2.1
112.51319	0.6
123.04415	1.0
133.10100	0.7
149.02324	1.0
173.13252	0.9
191.14333	2.7
228.87827	0.5
250.40201	0.6
255.76042	0.6
257.08368	0.6
284.29459	0.6
313.17938	0.6
321.16489	1.2
328.31940	1.0
329.32419	1.4
390.35867	2.9
391.24500	100.0
391.35132	3.7
392.24756	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.5
69.47845	2.5
70.06593	5.1
71.06931	0.6
71.08646	0.6
72.08172	0.5
79.05433	0.5
81.03414	0.7
88.07618	1.6
95.04946	1.0
98.22697	0.8
102.09159	0.7
132.10201	2.4
134.52812	0.4
146.11760	1.8
191.14453	1.0
240.26874	0.7
284.29437	1.8
285.29993	0.7
321.16711	1.4
328.32132	5.5
329.32452	5.0
390.35721	12.0
391.24542	100.0
391.35764	12.9
392.24902	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11923	0.5
57.03421	0.5
57.07061	0.6
67.05503	0.9
69.79913	1.5
70.06590	1.1
74.12734	0.5
81.03408	1.5
82.88017	0.5
93.07056	0.5
95.04951	1.9
102.09171	0.6
105.60257	0.4
107.08529	0.7
109.06479	0.6
119.08567	0.6
123.02214	0.4
123.04450	0.7
131.08607	0.6
133.10123	0.6
143.08551	0.5
149.02327	1.8
175.18825	0.5
191.14331	3.0
229.51318	0.5
274.90149	0.5
315.16321	0.8
328.31918	1.1
329.32361	0.9
373.11987	2.8
390.35611	2.6
391.24512	100.0
391.35214	4.0
392.24905	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.6
55.05503	26.6
57.03423	6.7
57.07060	13.8
65.03912	5.7
67.05504	31.8
69.07068	30.5
69.35100	31.6
69.99322	5.7
71.08643	9.2
79.05489	47.2
81.03432	9.3
81.07053	50.9
83.08620	22.5
85.06580	7.0
91.05474	58.6
93.07040	78.3
95.04969	90.4
95.08595	42.5
97.06490	6.9
97.10195	8.3
98.98470	37.9
105.07027	84.4
107.08599	50.7
109.06519	6.3
109.10153	21.8
111.08043	7.9
117.07014	22.4
119.08566	62.3
121.06502	16.0
121.10146	50.3
123.08042	5.7
123.11710	10.2
128.06236	11.3
129.07019	14.5
130.07767	6.3
131.08585	37.0
133.10121	28.2
135.08034	9.5
135.11688	21.9
141.06987	13.5
142.07774	20.3
143.08578	47.0
144.09386	9.8
145.06480	8.0
145.10106	48.2
145.10852	4.5
147.08047	9.7
147.11653	16.2
149.02356	21.5
149.09630	8.6
149.13290	6.8
155.01016	51.9
155.08519	19.9
156.09341	27.7
157.10107	49.3
158.10840	7.6
159.11694	26.8
161.09644	13.1
161.13199	8.1
165.07004	13.7
166.07614	5.8
167.08582	16.8
168.09343	8.2
169.02589	7.3
169.10095	35.2
170.10893	8.1
171.11661	30.0
172.12477	5.6
173.09709	7.8
173.13252	22.8
179.08568	16.2
180.09372	10.3
181.10081	35.4
183.11688	33.5
185.09604	7.5
185.13248	28.2
187.14818	15.6
191.14317	22.7
193.10109	21.9
194.10915	19.4
195.11696	39.7
196.09131	6.3
196.12369	15.0
197.13255	27.7
199.11226	9.5
199.14867	6.8
205.10246	6.4
205.15947	9.5
206.10838	6.9
207.11736	26.8
208.12398	18.7
209.13246	33.9
210.13910	8.1
211.14818	12.9
213.12706	12.2
213.16272	7.8
219.11752	8.0
220.12532	9.9
221.13226	24.7
221.15265	6.6
222.14043	7.2
223.14787	37.1
225.16472	10.8
231.11589	9.7
232.12465	8.3
233.13228	21.1
234.13966	15.5
235.14870	13.1
236.15718	8.3
237.16299	14.8
237.22072	11.5
246.13963	6.1
247.14963	8.1
249.16426	28.0
251.17921	14.0
255.17336	7.0
259.97568	6.6
260.15561	7.6
261.16428	7.5
263.17883	12.5
264.18765	12.7
267.17380	13.7
273.16174	6.7
275.18024	13.5
277.19504	10.5
279.17587	7.4
281.19186	7.7
282.19757	13.9
289.19543	8.1
291.17255	6.3
293.18988	9.2
317.18839	10.0
340.01529	5.7
373.25220	29.7
391.26328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61997	3.8
53.03939	7.4
55.01862	5.8
55.05508	34.7
57.03433	8.8
57.07068	14.4
67.05498	42.5
69.03402	5.9
69.07053	28.0
69.21675	12.9
69.22073	11.6
71.04948	4.4
78.01364	4.0
79.05484	49.7
81.03405	8.1
81.07051	66.6
83.08630	19.7
85.06564	10.7
88.98663	3.5
91.05472	56.7
93.07037	87.9
95.04964	91.3
95.08599	40.6
97.06534	12.8
97.10168	10.9
98.98466	42.0
103.05479	5.1
105.07023	96.9
107.08588	51.1
109.06504	15.0
109.10143	17.5
111.11761	4.1
117.07004	20.9
119.06052	4.3
119.08577	93.2
121.06502	15.1
121.10133	47.8
123.11662	8.8
125.09619	8.2
128.06207	7.3
129.07013	22.3
130.07764	6.0
131.08556	38.0
133.10123	41.9
135.08081	4.1
135.11673	17.8
141.06940	11.2
142.07774	25.3
143.08572	42.1
144.09378	9.2
145.10110	47.0
147.11650	11.7
149.02359	9.2
149.09604	5.9
154.07788	6.1
155.01031	36.7
155.08534	24.0
156.09323	24.0
157.10103	60.7
158.10857	6.0
159.08067	5.2
159.11682	28.7
161.09579	15.7
161.13197	6.3
165.06979	11.3
166.07771	5.8
167.08522	11.2
168.09335	8.3
169.10121	37.5
170.10886	18.8
171.11674	42.5
172.12534	7.0
173.13309	22.0
179.08557	14.4
180.09384	8.1
181.10103	34.7
182.10889	14.4
183.11667	39.3
184.12520	5.8
185.13231	32.4
187.11235	9.8
187.14784	19.9
191.08551	5.8
191.14278	12.7
192.09340	6.4
193.10141	21.2
194.10867	16.8
195.11694	39.6
196.12448	13.5
197.13219	32.1
198.14003	5.8
199.11171	9.2
199.14789	13.2
203.08540	4.7
205.15843	11.2
206.10886	9.6
207.11649	30.6
207.13399	4.4
208.12436	18.7
209.13281	34.2
210.14056	4.9
211.10995	5.7
211.14787	17.2
213.12717	15.2
213.16397	8.4
217.10190	5.6
218.10905	5.4
219.11694	17.5
220.12457	12.1
221.13266	21.3
222.13918	8.3
223.14799	25.7
224.15506	7.9
225.12730	6.5
225.16394	11.8
227.14238	5.3
229.15883	6.7
231.11649	10.4
232.12474	5.0
233.13200	12.9
234.13942	12.8
235.14787	15.1
236.15579	6.0
237.12665	5.8
237.16409	18.1
237.22147	8.2
238.17056	5.1
239.14183	5.7
241.15915	6.6
245.13216	11.2
246.14076	5.4
247.14818	15.8
248.15553	6.4
249.16354	33.8
251.17787	20.9
253.15863	7.2
255.17424	8.3
257.13034	5.9
259.14709	6.4
261.16437	8.8
263.17841	6.0
264.18735	12.1
265.19617	6.8
267.17502	21.2
269.18948	13.3
270.19711	5.0
271.14801	5.7
273.16245	6.2
274.16953	7.6
275.17950	11.1
277.16119	4.7
277.19412	8.9
279.17694	4.4
281.19025	6.3
282.19778	19.0
289.19476	6.2
291.17438	5.0
293.18942	4.8
307.20468	5.9
313.18198	5.6
333.22006	4.5
362.25720	4.3
363.26471	5.2
373.25186	35.1
391.26276	100.0
392.26697	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	2.4
55.01863	7.5
55.05506	19.4
57.07061	8.4
61.93998	2.7
63.78941	2.4
67.05511	24.6
68.76994	2.8
69.03427	2.5
69.07067	18.7
69.67225	10.5
71.04948	3.2
71.89357	2.9
73.19896	2.6
76.44923	2.8
79.05493	34.1
81.03429	4.4
81.07053	50.7
83.04996	6.9
83.08620	10.3
85.06552	8.1
89.06020	3.2
91.05475	45.0
93.07043	56.8
95.04964	84.0
95.08599	32.4
97.06521	14.6
97.10126	4.4
98.23328	3.5
98.98476	12.8
103.05427	3.3
105.04520	4.2
105.07028	76.1
107.08586	40.7
109.06528	7.8
109.10169	17.4
115.05477	3.5
117.06991	14.9
119.08572	62.3
121.06509	16.4
121.10135	26.1
123.04310	3.3
123.08048	4.8
123.11716	3.3
128.06226	12.1
129.07021	13.9
130.07790	5.9
131.08592	31.0
133.06561	6.1
133.10124	29.2
135.08076	3.7
135.11690	18.1
141.06985	8.6
142.07753	20.5
143.08577	28.3
144.09296	10.1
145.10129	47.1
147.11694	7.7
149.02324	6.4
149.09674	4.9
153.06975	7.1
155.01041	9.3
155.08536	21.6
156.09348	23.8
157.10130	48.9
158.10780	4.2
159.08121	4.4
159.11681	27.9
161.09583	14.5
161.13278	6.1
163.11215	4.2
165.07027	8.4
166.07761	5.4
167.08569	15.9
168.09348	8.7
169.10088	34.7
170.10901	13.0
171.11697	37.3
172.12277	5.8
173.09535	5.1
173.13251	15.0
175.11183	5.6
177.12900	4.3
178.07689	3.5
179.08542	18.1
180.09317	9.3
181.10172	22.9
182.10913	10.0
183.11671	31.4
184.12408	8.2
185.09627	4.5
185.13222	23.3
187.11221	4.7
187.14746	14.7
189.12775	4.6
191.08514	5.6
191.14316	10.2
192.09349	8.7
193.10156	21.8
194.10896	15.0
195.11679	42.8
196.12411	11.4
197.09593	3.4
197.13240	30.5
199.11191	6.9
199.14792	7.7
201.12730	4.8
205.10077	6.3
205.15924	6.9
206.10927	10.6
207.11661	25.8
208.12431	13.7
209.13206	26.2
210.13957	6.6
211.11237	5.2
211.14703	17.5
213.12781	10.3
217.10286	3.1
217.15891	3.4
218.10832	4.0
219.11702	12.3
220.12463	6.9
221.13263	24.3
222.13939	7.7
223.11310	4.9
223.14822	23.2
224.15460	4.6
225.12691	5.6
225.16373	8.5
227.14250	3.5
229.10159	4.6
230.10828	3.0
231.11679	8.0
232.12460	4.8
233.13327	14.4
234.14037	8.6
235.14822	22.3
237.12837	3.5
237.16299	13.1
239.14246	4.1
239.17940	4.8
241.15930	2.8
245.13213	8.6
246.14037	4.8
247.14847	15.2
248.15552	5.5
249.16409	23.4
251.14383	3.3
251.17963	19.1
253.19553	9.6
255.17424	9.1
257.13275	3.7
258.14105	5.6
259.14902	6.7
260.15775	5.3
261.16382	11.8
263.18033	7.9
264.18570	7.5
265.19531	5.9
267.17447	13.1
269.18994	11.7
271.20444	5.3
272.15552	3.1
273.16428	6.3
275.18015	9.6
277.19467	10.2
279.17337	3.2
281.18933	4.8
282.19916	14.9
285.16345	3.3
287.17999	3.4
289.16022	3.7
289.19421	8.0
291.17349	4.0
291.20914	3.9
295.20633	3.6
299.17966	4.4
303.17654	3.6
303.21133	3.0
307.20663	4.9
317.19165	5.0
325.19382	3.7
335.19971	4.7
345.25525	4.0
355.24072	5.9
363.26849	3.5
373.25366	38.0
391.26312	100.0
392.26633	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01872	3.2
55.05500	14.8
57.07067	5.9
59.97891	2.8
64.07347	2.7
65.03947	4.0
67.05502	24.5
69.03409	4.5
69.07056	11.1
71.19189	3.6
79.05492	35.1
81.03415	3.1
81.07050	38.0
83.04980	7.4
83.05499	2.7
83.08611	8.7
85.06550	5.3
91.05476	38.4
93.07037	59.0
95.04966	72.7
95.08607	26.0
95.94572	2.9
97.06524	10.7
97.10179	3.9
97.48708	2.7
98.98489	6.8
103.05466	3.9
105.04507	4.2
105.07022	73.8
107.08587	41.8
109.06512	12.5
109.10142	15.2
115.05418	3.3
117.07011	13.9
119.08578	61.5
121.06447	13.9
121.10149	27.7
123.08047	8.5
123.11636	3.3
128.06215	10.4
129.06998	18.3
131.08556	31.0
133.10126	33.2
134.10509	3.2
135.08026	7.0
135.11699	13.2
141.06985	6.4
142.07755	20.0
143.08578	31.0
144.09341	6.1
145.06476	3.0
145.10115	43.3
147.08063	6.0
147.11671	8.5
149.02333	9.8
149.09583	6.3
152.06114	2.7
153.06920	6.3
155.01012	7.8
155.08540	19.8
156.09363	20.0
157.10133	44.1
158.10883	6.4
159.08051	5.2
159.11681	23.6
161.09642	11.3
161.13266	8.2
165.07004	7.0
166.07677	3.9
167.08551	10.3
168.09317	7.8
169.10106	36.1
170.10876	11.6
171.11699	37.7
172.12407	4.3
173.09618	4.7
173.13283	12.5
175.11189	3.4
179.08539	10.4
180.09354	9.2
181.10117	27.0
182.10863	8.2
183.11668	30.7
185.09663	4.1
185.13264	21.3
187.11029	3.3
187.14827	15.3
191.14287	6.8
192.09293	6.2
193.10110	23.1
194.10829	10.7
195.11681	34.6
196.12408	12.1
197.13219	29.1
198.13869	4.7
199.11212	5.9
199.14809	7.5
201.16187	3.4
203.14391	4.1
205.10091	5.5
205.15842	8.7
206.10878	11.0
207.11678	31.5
208.12489	15.7
209.13264	25.9
210.14003	8.9
211.14746	15.8
213.12773	11.5
218.10941	4.9
219.11658	11.5
220.12425	9.7
221.13202	24.8
222.13983	12.6
223.14774	22.5
224.15456	3.8
225.12663	3.6
225.16376	7.3
227.14198	6.4
229.15794	5.5
231.11710	3.9
232.12453	9.3
233.13283	10.0
234.13969	11.7
235.14857	14.1
236.15532	5.9
237.16319	13.1
239.14351	7.4
241.15959	3.1
245.13228	11.1
246.13956	3.7
247.14857	10.5
248.15463	3.0
249.16351	25.4
251.14281	4.1
251.17921	19.6
253.15816	3.6
253.19530	5.9
255.17200	5.9
256.17990	3.1
259.14841	6.9
260.15555	4.3
261.16385	12.9
262.17169	4.4
263.17929	11.6
264.18765	7.2
265.19470	5.5
267.17456	11.9
269.13226	3.9
269.19095	6.8
273.16458	5.8
274.17117	4.3
275.17920	8.2
277.19556	12.4
279.17459	3.9
281.18936	4.8
282.19751	17.9
283.20502	4.6
287.18085	4.0
289.19482	5.9
291.17645	3.7
299.17709	3.1
301.19476	3.5
307.20486	3.7
317.19064	4.3
347.23599	4.1
355.24286	3.9
362.25934	3.7
373.25253	26.7
391.26279	100.0
392.26813	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.05515	15.3
57.07070	6.2
59.05005	3.1
67.05506	15.0
69.03438	7.6
69.07055	10.8
71.04999	2.4
71.08656	2.4
73.06977	2.4
79.05479	24.7
81.03415	4.6
81.07053	38.3
83.04984	5.5
83.08631	4.5
85.06544	5.2
91.05469	38.4
91.05984	2.8
93.07048	36.2
95.04961	42.7
95.05509	2.7
95.08608	22.9
97.06528	3.9
103.05481	5.0
105.04589	2.7
105.07021	77.9
107.08598	21.7
109.06526	12.0
109.10132	12.5
115.05479	7.0
115.46402	2.0
116.06229	2.7
117.06996	17.2
119.08576	65.0
119.09416	3.3
121.06493	15.8
121.10133	24.9
123.08105	5.4
123.11726	3.7
128.06262	9.9
129.06992	17.0
130.07791	7.0
131.08580	28.0
133.06516	2.3
133.10114	19.4
135.08083	7.0
135.11678	3.9
141.07034	6.9
142.07773	18.6
143.08556	33.8
144.09395	6.5
145.06526	3.5
145.10110	51.2
146.10532	3.4
147.08099	9.1
147.11737	10.1
149.02386	5.1
149.09631	5.4
151.11140	2.9
153.07013	4.0
154.07828	2.8
155.08562	16.4
156.09370	12.2
157.10124	37.2
158.10846	5.5
159.08101	8.3
159.11688	19.5
161.09683	8.7
163.11206	3.7
165.07066	6.9
166.07858	3.5
167.08551	12.8
168.09406	7.7
169.10115	18.9
170.10971	7.0
171.11722	19.2
173.09724	6.6
173.13249	15.2
175.11240	5.0
175.14857	2.7
178.07837	3.1
179.08540	14.3
180.09401	5.1
181.10101	16.2
182.10931	8.0
183.11658	16.4
184.12523	3.8
185.09674	4.3
185.13301	8.0
187.11235	6.1
187.14690	2.4
189.12827	3.0
191.14305	10.7
192.09367	7.8
193.10153	14.7
194.10928	6.9
195.11702	19.0
196.12512	6.1
197.09650	4.9
197.13280	21.6
199.11276	7.1
199.14874	8.0
201.12793	3.0
205.10094	4.5
206.10950	8.9
207.11655	15.9
208.12563	8.0
209.09775	2.4
209.13214	19.3
210.14067	3.2
211.11295	5.0
211.14937	10.3
213.12811	5.0
215.14336	4.6
217.16000	2.6
218.10895	4.5
219.11813	7.4
220.12566	5.8
221.13203	15.9
222.10547	2.6
222.13913	3.4
223.11346	4.1
223.14812	12.3
225.12810	4.8
225.16376	5.3
227.14462	5.4
229.10168	3.4
230.11191	2.3
231.11685	4.7
232.12502	5.2
233.13335	8.0
233.15512	6.7
234.14029	3.9
235.14891	9.5
236.12169	2.2
236.15619	4.0
237.12918	2.7
237.16318	5.0
239.14249	3.4
243.11734	4.0
244.12631	3.4
245.13345	5.3
246.14133	5.5
247.14851	7.9
248.15613	4.4
249.12744	2.7
249.16408	10.5
251.14359	3.8
251.18155	3.3
253.15942	2.9
257.19202	2.7
259.14777	4.4
260.15677	3.8
261.16507	5.9
263.18079	6.2
264.18814	2.8
267.17529	5.5
269.19144	3.0
273.16287	4.5
275.17825	5.4
282.19800	7.0
291.17404	3.4
295.20691	2.9
297.18256	10.7
303.17639	3.0
307.20633	4.4
317.19141	6.1
335.20154	8.2
345.25671	2.8
347.23868	2.6
364.97198	2.5
373.12396	3.3
373.25107	17.3
391.15509	3.8
391.26321	100.0
391.36548	7.1
392.26633	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	392.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01869	1.0
57.03437	1.2
59.50646	0.3
61.02917	1.4
63.02382	0.5
65.95118	0.3
68.99790	0.6
69.03426	8.0
71.04985	0.8
72.98480	0.7
73.02916	1.3
75.63470	0.3
78.03454	0.8
80.05012	0.4
80.86179	0.3
81.03413	6.7
85.02905	14.0
87.00813	3.7
90.03435	7.0
91.04188	1.1
97.02886	4.3
99.00005	4.2
99.04442	2.1
101.02335	0.3
103.03914	0.7
105.01858	2.7
108.04459	0.6
109.02876	7.3
115.03880	0.4
117.01875	0.5
121.02879	0.3
126.01065	100.0
126.05508	2.6
127.01806	1.7
127.03910	11.6
128.02647	1.3
129.01833	0.7
144.02104	99.8
145.02477	2.1
145.04948	3.3
147.02887	0.7
149.02301	1.1
159.02869	2.6
186.03142	1.5
187.05960	0.8
189.03969	0.5
213.03860	1.1
230.02223	0.4
231.05000	1.6
270.05270	0.6
288.06369	1.4
306.07364	4.8
374.06171	1.1
392.02481	0.5
392.07397	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	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
67.05479	0.9
69.03414	0.8
79.05495	3.7
81.07063	4.4
85.02908	3.3
91.05475	2.5
93.07046	8.1
97.02906	1.0
99.04420	0.7
105.07018	1.2
107.08576	4.1
108.08942	0.6
109.05861	0.5
109.06498	3.6
115.05424	0.8
117.07022	3.0
118.24745	0.5
119.04899	0.7
120.05711	1.5
121.06485	0.7
124.27109	0.5
125.79853	0.6
126.77005	0.5
133.06482	1.5
135.08051	100.0
136.08382	3.9
145.04977	0.8
153.09100	6.2
190.98483	0.5
247.04587	0.6
296.20560	0.6
297.13364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33254	3.8
55.01868	5.8
55.05503	9.1
57.03442	5.4
67.05508	39.0
69.03431	5.8
69.07085	8.7
79.05490	19.3
81.03431	4.8
81.07050	46.4
83.04997	9.2
85.02926	11.7
91.05480	10.7
93.07040	30.9
95.08606	10.5
97.02897	6.1
97.06535	7.9
105.07027	6.2
107.08595	19.2
109.06551	5.4
111.04471	5.8
111.08071	7.6
117.07035	6.3
119.08637	4.9
121.10175	13.0
131.08597	10.0
133.10097	8.8
135.11690	6.8
149.13283	41.5
159.11670	16.3
174.13689	5.0
177.12762	9.7
180.07361	4.2
193.67351	4.2
195.13792	100.0
196.14145	5.6
213.14824	20.5
357.58765	4.6
363.16037	4.1
392.24057	9.0
393.14755	9.9
405.11255	4.6
410.22260	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	392.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.5
57.07077	2.7
57.35872	0.2
67.05506	1.9
68.05029	2.3
69.07066	3.7
70.06590	11.8
71.05003	0.4
71.08630	1.8
71.43864	0.3
79.05486	1.1
79.36306	0.2
80.05058	0.3
81.07056	3.5
82.06568	0.4
83.08624	1.7
84.08125	0.6
85.10156	0.4
91.05470	0.3
93.07040	0.5
94.06574	0.4
95.04967	0.3
95.08601	2.5
96.08131	0.8
97.10172	1.0
98.98475	1.1
100.07610	4.1
103.08674	0.3
105.07028	0.3
107.08590	0.3
108.08126	1.8
109.10167	1.1
111.11735	0.4
114.05519	2.5
116.07073	0.7
119.08588	0.3
120.08138	0.5
122.09651	3.3
123.10464	0.3
123.11694	0.4
125.88254	0.3
128.07071	3.9
136.11211	6.5
137.11478	0.3
140.10718	0.4
142.08577	1.2
150.12775	1.0
154.08611	3.1
155.00981	1.5
166.08626	2.5
168.10193	12.2
169.10527	0.4
176.94537	0.2
180.10272	0.3
181.10942	0.4
182.11740	1.4
194.11662	0.3
196.13304	0.3
209.10011	0.3
245.32742	0.2
246.90613	0.2
276.74203	0.3
321.39682	0.3
346.34647	0.9
392.35205	100.0
393.35550	7.7
417.66837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77678	13.2
57.08363	12.3
65.60900	14.2
69.74730	14.9
70.83300	19.2
76.20744	14.0
80.44005	12.9
129.58379	14.6
156.45386	17.6
166.08423	14.9
182.05798	69.3
194.19839	13.1
207.28738	14.7
331.54507	14.6
393.05725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17224	16.4
55.76266	17.5
56.96568	26.7
67.68067	16.2
69.78288	69.4
70.23379	17.5
116.19218	15.9
143.00229	19.9
244.04704	18.9
259.08307	25.3
273.02731	35.9
393.05713	100.0
393.13824	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	393.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79232	7.9
56.96569	22.4
57.03434	8.4
60.08162	8.5
69.03426	24.6
70.74351	19.4
93.51774	9.9
170.07098	17.8
231.01836	15.1
232.07202	15.0
237.00844	10.9
255.01756	21.4
259.08255	56.3
273.02762	15.8
303.02618	8.5
327.21985	8.1
393.06015	67.5
393.14099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90204	0.9
69.35238	3.6
78.70515	0.9
81.03433	0.9
84.04493	4.0
91.05508	1.3
112.92462	1.0
130.04976	3.2
145.06430	1.2
145.12189	1.2
147.07709	2.1
170.08061	1.4
187.10789	3.1
227.05266	1.2
271.04208	1.2
282.51169	0.9
291.07877	1.5
307.11465	4.2
349.12579	38.3
350.12863	2.0
371.54080	1.1
393.11490	100.0
394.11847	8.2
394.16577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1549
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
52.65883	0.9
53.51013	0.9
56.89277	0.9
64.03734	0.8
64.15075	0.9
64.37646	0.9
66.44925	1.1
67.05482	0.9
69.03420	1.2
69.77279	3.3
75.56006	0.8
85.02905	1.8
95.08607	1.7
109.10181	1.2
119.08564	1.7
122.49320	0.9
127.03928	3.8
137.09612	2.0
155.10670	1.3
193.56079	0.8
197.11687	5.3
232.16945	1.2
314.89929	0.9
317.13788	4.4
333.09900	1.3
335.14905	8.8
375.14429	48.2
376.14917	2.4
393.15472	100.0
394.15820	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69020	0.3
55.05509	3.7
69.21792	1.3
69.22217	1.3
77.03929	0.4
79.05484	1.1
81.16788	0.4
83.04977	26.1
86.85752	0.4
95.04949	0.9
102.97504	0.4
105.07036	2.1
107.04971	2.1
115.05448	9.4
125.05994	1.8
133.06509	0.6
135.04410	39.5
136.04735	0.7
143.06032	6.6
158.07240	0.7
159.04460	0.5
159.08080	0.9
177.05434	1.7
178.58397	0.4
182.07275	0.8
187.03896	100.0
187.11200	1.6
188.04243	3.2
197.09636	1.4
201.09001	0.7
215.10703	2.7
225.08992	0.8
243.10168	26.9
244.10521	1.1
249.09036	1.1
253.08595	0.7
267.10162	1.9
268.31738	0.4
277.08542	1.5
280.07239	0.4
285.11102	3.5
295.09631	23.2
296.09918	1.6
319.09503	1.0
337.10666	2.2
347.16330	0.8
375.15939	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05508	3.0
55.77652	0.4
62.06081	0.5
69.05363	0.4
69.64249	1.4
73.06522	0.6
77.03917	0.4
79.05486	4.9
81.07047	0.5
83.04974	16.3
91.05463	1.5
93.07021	0.9
95.04955	3.1
98.23380	0.9
105.04497	1.1
105.07023	2.3
107.04958	4.8
109.06465	0.7
121.06495	3.4
125.05994	0.5
128.06163	0.5
130.96992	0.4
132.14713	0.4
133.06479	0.9
135.04402	100.0
136.04771	2.1
137.05994	0.5
142.07796	0.4
143.08549	0.4
145.06497	1.0
145.10143	0.6
149.05945	3.1
151.07581	0.5
154.07748	0.5
154.29918	0.6
155.08505	0.8
156.09317	1.1
158.07307	0.8
159.08029	1.6
165.06996	0.6
166.07785	0.6
171.08081	0.6
173.09610	2.4
179.08553	1.0
182.07230	1.9
183.08037	2.0
184.08864	0.6
185.09550	0.9
190.86902	0.5
193.04945	1.4
197.09592	4.2
199.11182	2.7
201.09122	1.6
210.07062	0.5
210.10260	1.9
211.07463	1.4
213.09045	0.5
215.10683	1.8
215.14314	0.7
225.09076	13.3
226.09616	0.8
239.95992	0.4
243.10121	1.9
249.08955	0.9
251.10681	1.5
261.79691	0.4
269.13052	0.5
272.11853	1.1
273.12369	0.5
275.10718	1.3
281.11707	0.7
285.08798	0.5
287.10834	0.5
287.14191	0.8
289.15884	0.7
291.13895	0.5
295.09509	1.9
299.10901	0.4
300.11505	1.3
302.12915	1.2
303.10184	0.6
304.10803	1.0
305.15295	1.8
309.11136	5.2
315.13779	1.4
317.15268	4.0
318.12469	1.5
318.15744	0.7
319.13153	0.7
333.14816	44.8
334.15115	4.6
343.13211	0.7
361.14264	3.7
375.15948	0.9
393.16962	2.4
393.26096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30944	0.9
55.05506	13.6
57.03420	1.0
57.07068	4.3
59.59860	0.9
67.05488	1.2
69.07050	1.6
69.49464	0.8
69.60751	1.7
69.61152	2.7
71.08618	3.3
73.06547	1.2
81.07047	1.4
83.04973	100.0
84.05273	1.2
85.10172	1.2
89.06013	5.5
89.09401	0.8
95.08595	2.0
98.98454	2.0
109.10156	0.9
112.99998	16.9
118.42940	0.8
133.08586	2.3
155.01003	2.5
169.02591	19.5
174.18594	1.0
208.27554	0.9
223.11201	1.0
251.10648	37.4
252.10905	1.4
277.08466	1.2
304.06696	0.9
311.12775	8.7
333.14935	1.2
341.39890	0.8
375.15952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36087	0.9
53.03941	1.1
55.01863	2.5
55.05508	11.5
57.03429	5.5
67.05506	3.7
69.03427	4.8
69.07063	5.6
69.10150	3.5
69.10557	2.3
71.04983	2.4
79.05479	5.4
81.03423	3.6
81.07064	4.9
83.04976	100.0
84.05300	1.3
85.02877	1.4
85.06545	1.2
91.05479	5.3
93.07043	5.4
95.04967	6.4
95.08604	5.0
95.21449	0.9
97.06519	10.0
99.22589	0.9
100.31659	0.9
105.07024	8.6
107.04999	2.0
107.08601	5.2
109.02885	1.6
109.06518	2.7
109.10151	3.5
111.08055	2.2
113.06007	3.8
117.07021	1.4
119.08563	9.3
121.06496	1.5
121.10130	5.6
123.04384	0.8
123.08058	6.3
125.06003	4.0
125.09644	2.5
127.03946	2.8
128.06273	0.9
129.06992	1.7
131.08546	6.9
133.06480	2.0
133.10147	6.3
135.08040	3.8
135.11681	2.3
137.09619	3.4
141.09090	3.1
142.07649	2.1
143.08516	4.2
145.06476	1.7
145.10106	6.9
147.08035	3.8
147.11699	3.7
149.09596	5.9
151.11182	3.2
155.08575	2.0
156.09366	2.4
157.10109	7.5
158.10864	0.9
159.08061	3.5
159.11661	5.6
161.09627	11.8
161.13269	3.1
163.11151	2.8
163.14890	0.9
165.09169	1.1
169.10121	2.6
170.10898	2.4
171.08070	2.7
171.11702	4.8
173.09602	4.0
173.13304	6.6
175.07556	3.0
175.11107	4.6
176.11882	1.7
177.12801	1.3
179.08479	0.8
179.10669	4.6
181.10094	1.9
181.12259	1.5
183.11691	2.2
185.09628	3.5
185.13231	4.9
186.10399	2.9
187.11157	6.2
187.14857	1.6
189.12727	5.4
191.10617	2.0
191.14288	17.2
192.14685	1.3
193.10104	1.3
194.10910	1.3
195.11705	1.7
197.13225	1.9
198.10379	0.9
199.11198	2.8
199.14738	1.2
200.11816	1.2
201.12721	3.6
203.10735	2.3
203.14288	3.5
205.12294	1.7
207.13757	1.2
209.13344	1.5
211.11176	2.8
211.14847	3.4
213.12711	6.7
215.14185	1.5
217.12198	4.7
217.15878	2.5
219.13776	1.9
221.15390	1.5
225.12767	1.1
227.14322	3.7
229.12257	6.8
229.15881	3.4
231.13765	16.0
233.15445	1.5
236.11929	1.4
237.16386	1.1
241.15918	1.1
243.13770	2.8
245.15353	19.0
245.17833	1.4
247.16830	1.5
253.14182	1.5
255.17444	2.1
257.01953	1.3
259.16879	1.8
263.16397	10.0
269.15472	0.9
269.18872	2.1
271.16901	1.2
279.17584	1.5
285.18500	2.6
287.19998	2.7
293.15442	1.1
297.18448	7.5
303.19513	3.4
315.19495	24.0
316.19827	1.3
317.92566	0.9
319.22934	0.9
323.18475	3.1
333.20517	11.0
361.12979	1.5
375.21713	2.2
393.22504	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82265	19.9
55.05513	27.1
57.07074	32.6
60.06492	16.0
61.99212	19.7
67.05513	100.0
67.79690	16.8
71.41799	16.9
73.50055	18.5
73.71790	18.0
80.94831	20.6
81.03415	53.3
81.07047	39.7
83.04980	66.6
83.08593	26.0
91.05476	22.5
93.07059	27.3
95.04967	61.5
95.08600	57.3
105.07031	31.9
107.08596	39.6
109.10151	21.9
119.08594	67.2
121.10142	50.6
123.04460	34.3
131.08528	21.5
135.04390	31.3
165.09151	47.9
170.30402	18.0
187.14833	31.4
211.07507	25.8
211.14923	19.4
229.08638	31.8
247.05310	27.7
266.24747	55.1
311.19846	37.6
329.21112	22.0
337.02246	46.3
359.19730	24.4
375.29825	27.2
393.08591	44.5
393.31000	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	24.4
67.05490	83.0
79.05510	31.1
81.03394	100.0
81.07050	33.3
93.07042	24.1
95.04956	87.8
95.08597	32.1
107.08541	43.4
119.08559	44.5
121.06499	21.8
121.10126	47.0
123.04414	70.8
123.11721	22.3
125.47131	19.9
133.10141	26.3
135.08076	24.1
135.11768	21.9
137.05962	22.1
143.08528	22.5
145.10124	46.2
147.11714	26.3
149.09550	26.3
151.11093	20.4
153.09081	23.5
159.11679	36.2
163.11208	26.4
173.13269	30.8
175.14850	26.5
187.14833	81.9
191.14209	26.2
193.15773	29.7
217.94299	19.3
287.20023	44.5
311.20016	71.9
315.19431	32.6
318.69083	22.9
329.20975	51.0
335.37967	19.4
385.25388	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	393.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	2.9
55.05503	8.2
57.03429	7.5
57.07066	0.4
59.04996	0.6
65.03941	0.7
67.05502	4.5
69.03419	2.3
69.07059	8.4
71.04990	1.6
71.08615	0.4
71.42831	0.3
73.06558	0.2
77.03922	0.3
79.05482	11.2
80.55154	0.2
81.03400	1.0
81.06571	0.2
81.07046	4.9
83.04971	100.0
83.08598	0.7
84.05285	1.7
85.06540	0.5
87.04456	2.2
91.05465	4.1
93.06451	0.3
93.07034	4.9
95.04955	4.7
95.08592	5.9
96.08944	0.2
97.06518	24.7
97.10168	0.3
98.06854	0.6
99.04439	3.5
99.08088	1.1
101.02373	0.4
101.06023	0.3
103.05482	0.7
105.04502	0.8
105.07011	6.8
107.04946	4.6
107.08584	6.3
109.06508	5.0
109.10141	4.4
111.04427	1.0
111.08057	0.8
113.06000	0.5
115.05444	0.5
117.06995	2.1
119.05947	0.2
119.08568	6.9
119.09412	0.4
120.08053	0.2
121.06490	2.3
121.10134	4.2
123.08058	3.2
123.11671	1.4
125.05976	12.3
125.09612	1.8
126.06258	0.3
127.07597	0.4
128.06172	1.2
129.07013	2.8
130.07848	0.5
131.05016	0.3
131.08557	6.6
133.06447	1.2
133.10110	7.4
135.08046	4.4
135.11671	2.6
137.06006	0.7
137.09569	2.0
139.07574	0.7
140.31638	0.2
141.06918	1.1
141.09093	1.5
142.07750	2.1
143.07016	38.7
143.08530	4.6
144.07361	0.7
144.09299	0.9
145.06480	1.0
145.10109	6.5
146.07228	0.4
147.08040	2.7
147.11662	3.7
149.09599	11.5
149.13211	1.4
150.09956	0.3
151.07574	0.3
151.11162	11.9
153.07013	0.4
153.09093	0.8
153.12711	1.4
154.07773	0.3
155.08542	2.1
156.09322	2.1
157.06543	0.5
157.10114	6.2
158.07234	0.5
158.10893	1.8
159.08043	1.8
159.11661	3.2
160.08832	0.7
161.09598	14.4
161.13268	2.1
162.10008	0.5
163.07538	0.7
163.11133	2.0
163.14810	1.2
164.11790	0.3
165.06996	0.5
165.09053	0.4
165.12743	3.0
166.07857	0.3
167.08501	0.5
167.10645	0.5
167.14392	0.3
168.09349	0.5
169.10095	2.0
170.07372	0.3
170.10909	1.9
171.08044	1.3
171.11668	4.3
172.08771	1.0
172.12381	0.5
173.09621	5.3
173.13239	8.0
174.10393	2.0
175.07578	0.4
175.11162	6.2
175.14734	0.5
176.11804	0.8
177.09149	0.6
177.12712	0.9
179.08539	0.7
179.10652	2.2
180.09364	0.5
181.08571	0.9
181.10095	1.1
181.12196	0.2
182.10811	0.4
183.08011	0.8
183.11659	2.2
184.08842	0.9
184.12416	0.5
185.09590	3.0
185.13222	5.5
186.10339	1.1
187.11172	3.7
187.14774	2.5
188.11922	0.9
189.09120	1.1
189.12727	6.5
191.10658	1.8
191.12511	0.4
191.14291	7.3
193.10269	0.3
193.12282	0.8
194.10913	0.4
195.11674	1.8
196.12462	0.3
197.09653	1.0
197.13252	1.7
198.10371	2.5
199.11159	2.8
199.12840	0.3
199.13199	0.3
199.14795	3.1
200.11850	0.4
201.12720	3.3
201.16345	0.5
202.13443	0.6
203.10629	3.3
203.14258	5.1
204.14705	0.5
205.12206	1.1
205.15846	0.3
207.11784	0.5
207.13747	5.9
208.12473	0.5
208.14175	0.3
209.09894	0.3
209.11694	1.1
209.13266	1.1
209.15373	2.0
211.11261	1.2
211.14743	1.2
212.11995	1.4
213.12714	28.6
213.16307	1.2
214.13129	1.5
215.10718	0.9
215.14258	3.0
215.17761	0.5
217.12283	2.5
217.15831	3.1
219.13783	1.0
221.11728	0.9
221.15320	0.5
222.14040	0.4
223.14874	0.9
225.12753	0.6
225.16373	0.6
226.13551	0.3
227.10823	0.5
227.14285	7.8
227.17728	0.3
228.14690	0.6
229.12257	0.5
229.15848	1.2
231.13766	15.0
232.14194	0.8
233.11699	0.6
233.15340	5.8
235.13181	1.4
237.12650	0.4
237.16373	1.8
239.14284	0.9
241.12202	0.4
241.15862	2.1
242.16440	0.3
243.13788	1.0
243.17450	0.3
245.15340	40.7
246.15750	2.0
247.16891	4.9
249.14764	0.4
251.17950	0.5
253.14111	0.5
254.16530	0.3
255.13680	1.1
255.17439	2.0
257.15295	1.0
259.16922	3.2
263.16501	1.5
267.17264	0.3
269.15372	1.2
269.18988	2.1
271.16824	0.5
273.14816	13.9
274.15131	0.7
275.16287	0.4
277.17917	2.3
279.17413	2.1
285.18478	0.7
287.16498	1.2
287.19528	1.1
291.15845	1.8
297.18451	25.6
298.18854	1.5
315.19489	12.7
316.19879	0.8
319.18951	0.5
333.16928	0.3
333.20541	2.9
334.20773	0.3
335.18558	0.4
357.20581	2.9
358.21030	0.3
375.21600	4.9
375.28815	0.5
376.22104	0.4
392.30133	0.4
393.22650	28.0
394.23013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	2.9
55.05503	8.2
57.03429	7.5
57.07066	0.4
59.04996	0.6
65.03941	0.7
67.05502	4.5
69.03419	2.3
69.07059	8.4
71.04990	1.6
71.08615	0.4
71.42831	0.3
73.06558	0.2
77.03922	0.3
79.05482	11.2
80.55154	0.2
81.03400	1.0
81.06571	0.2
81.07046	4.9
83.04971	100.0
83.08598	0.7
84.05285	1.7
85.06540	0.5
87.04456	2.2
91.05465	4.1
93.06451	0.3
93.07034	4.9
95.04955	4.7
95.08592	5.9
96.08944	0.2
97.06518	24.7
97.10168	0.3
98.06854	0.6
99.04439	3.5
99.08088	1.1
101.02373	0.4
101.06023	0.3
103.05482	0.7
105.04502	0.8
105.07011	6.8
107.04946	4.6
107.08584	6.3
109.06508	5.0
109.10141	4.4
111.04427	1.0
111.08057	0.8
113.06000	0.5
115.05444	0.5
117.06995	2.1
119.05947	0.2
119.08568	6.9
119.09412	0.4
120.08053	0.2
121.06490	2.3
121.10134	4.2
123.08058	3.2
123.11671	1.4
125.05976	12.3
125.09612	1.8
126.06258	0.3
127.07597	0.4
128.06172	1.2
129.07013	2.8
130.07848	0.5
131.05016	0.3
131.08557	6.6
133.06447	1.2
133.10110	7.4
135.08046	4.4
135.11671	2.6
137.06006	0.7
137.09569	2.0
139.07574	0.7
140.31638	0.2
141.06918	1.1
141.09093	1.5
142.07750	2.1
143.07016	38.7
143.08530	4.6
144.07361	0.7
144.09299	0.9
145.06480	1.0
145.10109	6.5
146.07228	0.4
147.08040	2.7
147.11662	3.7
149.09599	11.5
149.13211	1.4
150.09956	0.3
151.07574	0.3
151.11162	11.9
153.07013	0.4
153.09093	0.8
153.12711	1.4
154.07773	0.3
155.08542	2.1
156.09322	2.1
157.06543	0.5
157.10114	6.2
158.07234	0.5
158.10893	1.8
159.08043	1.8
159.11661	3.2
160.08832	0.7
161.09598	14.4
161.13268	2.1
162.10008	0.5
163.07538	0.7
163.11133	2.0
163.14810	1.2
164.11790	0.3
165.06996	0.5
165.09053	0.4
165.12743	3.0
166.07857	0.3
167.08501	0.5
167.10645	0.5
167.14392	0.3
168.09349	0.5
169.10095	2.0
170.07372	0.3
170.10909	1.9
171.08044	1.3
171.11668	4.3
172.08771	1.0
172.12381	0.5
173.09621	5.3
173.13239	8.0
174.10393	2.0
175.07578	0.4
175.11162	6.2
175.14734	0.5
176.11804	0.8
177.09149	0.6
177.12712	0.9
179.08539	0.7
179.10652	2.2
180.09364	0.5
181.08571	0.9
181.10095	1.1
181.12196	0.2
182.10811	0.4
183.08011	0.8
183.11659	2.2
184.08842	0.9
184.12416	0.5
185.09590	3.0
185.13222	5.5
186.10339	1.1
187.11172	3.7
187.14774	2.5
188.11922	0.9
189.09120	1.1
189.12727	6.5
191.10658	1.8
191.12511	0.4
191.14291	7.3
193.10269	0.3
193.12282	0.8
194.10913	0.4
195.11674	1.8
196.12462	0.3
197.09653	1.0
197.13252	1.7
198.10371	2.5
199.11159	2.8
199.12840	0.3
199.13199	0.3
199.14795	3.1
200.11850	0.4
201.12720	3.3
201.16345	0.5
202.13443	0.6
203.10629	3.3
203.14258	5.1
204.14705	0.5
205.12206	1.1
205.15846	0.3
207.11784	0.5
207.13747	5.9
208.12473	0.5
208.14175	0.3
209.09894	0.3
209.11694	1.1
209.13266	1.1
209.15373	2.0
211.11261	1.2
211.14743	1.2
212.11995	1.4
213.12714	28.6
213.16307	1.2
214.13129	1.5
215.10718	0.9
215.14258	3.0
215.17761	0.5
217.12283	2.5
217.15831	3.1
219.13783	1.0
221.11728	0.9
221.15320	0.5
222.14040	0.4
223.14874	0.9
225.12753	0.6
225.16373	0.6
226.13551	0.3
227.10823	0.5
227.14285	7.8
227.17728	0.3
228.14690	0.6
229.12257	0.5
229.15848	1.2
231.13766	15.0
232.14194	0.8
233.11699	0.6
233.15340	5.8
235.13181	1.4
237.12650	0.4
237.16373	1.8
239.14284	0.9
241.12202	0.4
241.15862	2.1
242.16440	0.3
243.13788	1.0
243.17450	0.3
245.15340	40.7
246.15750	2.0
247.16891	4.9
249.14764	0.4
251.17950	0.5
253.14111	0.5
254.16530	0.3
255.13680	1.1
255.17439	2.0
257.15295	1.0
259.16922	3.2
263.16501	1.5
267.17264	0.3
269.15372	1.2
269.18988	2.1
271.16824	0.5
273.14816	13.9
274.15131	0.7
275.16287	0.4
277.17917	2.3
279.17413	2.1
285.18478	0.7
287.16498	1.2
287.19528	1.1
291.15845	1.8
297.18451	25.6
298.18854	1.5
315.19489	12.7
316.19879	0.8
319.18951	0.5
333.16928	0.3
333.20541	2.9
334.20773	0.3
335.18558	0.4
357.20581	2.9
358.21030	0.3
375.21600	4.9
375.28815	0.5
376.22104	0.4
392.30133	0.4
393.22650	28.0
394.23013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01885	8.7
55.05512	7.9
55.06525	3.8
64.05827	3.5
65.03949	7.4
67.05502	100.0
69.03421	5.6
69.07077	8.0
71.04990	6.2
75.91939	3.4
79.05492	11.9
81.03408	37.3
81.07061	13.8
83.04989	5.1
91.05485	8.8
93.07050	23.5
95.04976	51.2
95.08607	13.0
97.02891	7.5
97.06528	5.6
105.04530	4.4
105.07040	23.7
107.08595	23.7
109.06509	10.1
109.10178	8.8
117.07033	8.1
119.08563	27.8
121.06481	8.5
121.10143	58.5
123.04438	7.4
123.08076	9.9
123.11667	3.5
123.41979	3.6
125.09650	4.8
129.07022	4.5
131.08566	14.2
133.06471	5.0
133.10104	20.9
135.08060	19.3
135.11696	15.9
137.09579	5.3
141.05467	5.2
142.07796	3.9
143.08617	5.1
144.09303	5.8
145.10146	18.6
147.08070	9.5
147.11687	11.3
149.09634	14.0
149.13319	4.6
151.11122	4.1
155.08577	4.6
157.10168	10.0
159.08057	4.1
159.11720	20.9
163.11157	23.7
165.09032	3.6
169.10074	6.0
171.11694	12.1
173.13257	10.8
175.11130	6.5
175.14857	10.0
177.12767	9.1
181.12279	8.5
182.15381	8.2
183.11739	5.2
187.11261	3.9
189.12735	9.1
191.14313	16.6
193.15921	14.2
197.13289	4.9
197.64626	3.7
199.11208	4.5
201.12833	8.7
203.14349	5.9
211.14905	4.8
215.14273	4.6
219.13815	4.5
227.14340	5.5
229.15846	13.3
233.15546	4.7
245.15086	4.0
247.16956	15.4
255.17400	5.7
284.29123	4.2
297.18414	17.7
307.18927	20.3
315.19446	30.0
333.20581	8.3
357.44199	3.8
361.56549	4.2
375.21515	7.4
376.57364	3.8
393.23151	5.1
393.31070	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05504	4.5
57.03438	4.4
57.07071	38.7
62.55534	0.7
67.05499	12.0
69.07063	7.4
71.08625	30.8
79.05490	1.1
81.06577	0.7
81.07051	14.5
83.08617	11.8
85.06524	1.1
85.10178	16.6
86.85054	0.8
89.06024	5.5
95.08603	24.3
97.10168	5.2
98.98460	71.0
99.11725	0.9
105.69941	0.7
107.05167	0.9
107.08545	0.7
109.10152	10.1
111.11682	1.2
116.99496	1.5
123.11703	6.2
125.13312	0.8
133.08598	1.9
137.13219	2.1
144.32796	0.9
151.14821	0.8
151.67360	0.8
155.01028	100.0
156.01378	1.0
167.78836	0.7
179.12602	0.7
184.30263	0.6
195.12254	4.8
221.22594	0.8
239.23723	7.2
240.19662	0.9
308.36850	0.7
309.86731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
57.03431	4.4
57.07071	31.9
61.92524	1.4
67.05504	12.8
68.64522	1.5
69.07053	5.1
71.08627	23.4
71.42496	1.5
79.05503	1.8
81.07047	16.6
83.08604	15.6
85.10179	11.9
89.06042	5.2
93.07011	1.4
95.08595	25.4
96.28320	1.4
97.10187	8.2
98.01062	1.4
98.98460	61.2
107.08602	2.3
109.10175	10.3
111.11731	1.6
115.52970	1.3
121.10113	1.8
121.13112	1.5
123.11672	5.9
125.09586	2.1
133.08585	1.6
137.13200	3.1
151.14865	1.5
155.01024	100.0
156.01418	1.7
189.11272	2.5
195.12239	6.3
227.88237	1.6
239.23586	8.0
319.14462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	15.4
57.61157	0.7
58.07392	4.0
69.35019	1.0
69.36104	3.8
71.56386	0.9
73.32744	0.7
74.20632	0.8
135.04446	2.3
145.06544	1.3
145.98201	0.9
194.60176	0.8
207.11305	2.5
208.11522	1.2
224.13911	1.5
225.14317	1.9
255.21461	1.0
308.19699	2.3
309.19833	5.7
375.24673	8.2
393.26044	100.0
394.26334	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90247	0.4
67.05493	0.4
81.07059	0.8
86.06068	0.7
93.07032	0.6
95.04963	0.8
95.08614	0.4
96.08155	0.5
98.48135	0.3
105.07034	0.6
120.50663	0.4
121.10134	0.4
136.39532	0.4
156.10193	1.4
182.20711	0.4
201.04898	0.4
375.11902	1.2
393.26068	100.0
394.26318	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25460	0.8
60.61962	0.8
61.24784	0.8
70.00330	2.5
77.58474	0.7
82.99357	0.8
83.17382	0.8
84.77453	0.8
122.59498	0.8
128.19518	0.8
135.04448	0.9
149.06049	0.8
243.00259	0.9
393.26068	100.0
394.26404	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.2
57.03447	5.0
57.07079	45.6
67.05506	25.2
69.07063	19.9
70.03913	7.7
70.04263	3.7
71.08626	24.7
77.11452	4.1
79.05504	20.3
81.07050	44.9
81.59702	4.7
83.08628	14.5
84.36752	3.4
85.10194	13.8
89.06018	10.8
91.05489	24.8
93.07030	40.1
95.04950	24.4
95.08600	48.4
97.06506	4.4
97.10134	6.2
98.98464	72.4
105.07030	43.2
107.08598	27.5
109.06521	10.6
109.10153	27.6
117.07029	10.4
119.08585	41.1
121.06496	7.7
121.10177	11.6
123.11716	13.6
129.06992	8.3
130.07770	6.0
131.08577	17.3
133.08586	5.0
133.10159	24.6
135.08052	13.3
135.11665	8.8
137.13191	4.4
141.07016	5.4
142.07771	16.2
143.08534	17.4
145.10094	24.3
147.11714	8.0
149.13281	3.9
155.01024	100.0
156.09346	5.4
157.10109	21.1
159.11710	14.6
161.09612	6.4
161.13188	4.0
165.09094	6.0
169.10062	5.9
171.11714	9.2
173.13243	10.9
175.11133	4.9
175.14694	8.9
177.12730	4.8
183.11664	10.2
184.89464	3.8
187.11301	3.9
187.14717	4.4
195.12117	12.4
197.13326	7.8
201.12704	3.9
209.13272	4.3
211.14874	4.4
239.23767	8.2
247.14685	4.1
361.27383	23.9
393.35657	7.9
394.36902	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53018	2.6
53.03936	5.2
55.05508	24.6
57.03434	2.7
57.07069	18.1
57.75668	2.3
59.04965	3.0
65.03935	5.5
67.05500	42.8
69.03445	4.9
69.07066	24.0
70.06618	2.1
70.94005	2.3
71.08617	6.9
76.28899	2.1
77.03899	2.9
79.05485	48.1
81.07050	70.4
81.07507	5.2
83.04980	7.4
83.08607	12.0
84.86088	2.4
85.06556	3.2
89.70482	2.3
91.05472	70.4
92.00661	2.2
93.07037	89.2
94.07356	3.8
95.04961	79.6
95.08596	56.3
97.06525	10.4
98.98436	13.4
105.04525	5.7
105.07022	100.0
107.04981	3.2
107.08585	49.3
107.58617	2.2
109.06496	22.6
109.10148	31.3
115.05450	5.3
116.06233	3.2
117.07013	25.3
119.04951	3.1
119.06052	2.9
119.08574	99.4
120.08934	4.5
121.06490	20.6
121.10142	36.1
123.08084	6.6
123.11708	11.7
128.06219	9.2
129.06990	20.1
130.07793	12.4
131.08562	53.9
132.08934	3.1
133.06509	5.2
133.10118	63.3
135.08040	9.2
135.11673	21.8
137.09610	5.4
141.06973	8.9
142.07768	23.5
143.08557	38.9
144.09360	13.7
145.10110	78.3
146.07210	2.6
147.08005	5.4
147.11661	23.8
149.09619	6.6
149.13237	5.1
154.07776	3.8
155.01022	24.1
155.08571	16.1
156.09317	13.9
157.10118	54.0
158.10805	5.7
159.08047	5.6
159.11688	49.5
160.12035	4.7
161.09610	17.7
161.13248	10.2
163.11177	7.6
165.07031	3.7
166.07773	2.7
167.08571	8.0
168.09238	3.9
169.10089	29.0
170.10811	5.1
171.11699	26.1
172.12346	3.6
173.09636	5.4
173.13245	22.4
175.11235	9.9
175.14816	19.2
179.08507	7.9
180.09416	3.8
181.10088	12.1
182.10941	5.1
183.11667	18.1
184.12306	3.6
185.09737	2.8
185.13263	9.9
187.11174	6.4
187.14728	7.3
189.12778	4.2
191.14297	2.8
193.10098	9.0
194.10805	3.6
195.11687	11.2
196.12416	4.3
197.13226	17.7
197.63040	2.7
199.14877	7.7
201.12718	3.7
201.16368	11.1
205.15816	2.7
206.10808	2.7
207.11717	6.0
209.13213	15.0
211.14806	10.2
213.12628	3.3
213.16257	5.2
217.15872	3.3
219.17482	3.4
220.12375	5.5
221.13318	6.0
223.14812	7.0
225.16295	6.1
227.14317	4.2
233.13353	3.4
235.14857	6.0
237.16362	4.9
239.14352	2.9
239.17766	3.1
247.14838	3.7
249.16333	3.2
253.15968	3.5
253.19403	3.5
271.20560	3.3
375.26813	3.7
393.27695	11.1
393.35641	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.03425	3.4
60.20991	2.4
62.60512	2.5
66.66322	2.2
69.03443	3.4
70.99229	2.9
74.06049	2.8
79.05095	2.3
79.05481	15.1
91.05476	12.5
93.07041	54.5
95.04946	3.4
99.77598	3.0
105.07021	7.0
105.15480	2.8
107.08610	12.4
110.58646	2.7
120.08102	10.4
121.10136	100.0
122.10487	3.4
131.08548	3.4
147.04431	3.3
149.09595	18.4
179.01106	3.8
213.97157	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.9
60.97710	3.0
68.52898	3.3
70.59208	6.1
78.74101	3.6
79.05496	17.7
81.07055	4.6
91.05482	10.0
93.07044	60.8
95.04947	4.4
105.07052	8.0
107.08582	13.1
108.45688	3.6
120.08101	9.6
121.09274	5.6
121.10146	100.0
122.10431	3.9
131.08519	3.4
149.09622	19.6
162.04150	3.2
167.10651	3.5
197.60869	3.2
301.51758	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14511	1.8
51.42673	1.4
53.03938	5.0
54.47957	1.6
55.01865	5.2
55.05500	7.2
57.03442	8.3
61.02916	4.1
64.00873	1.7
67.05482	2.1
68.99783	3.1
69.03425	39.5
69.06710	3.3
69.07065	40.7
69.61387	5.3
71.04993	3.8
73.02909	6.4
76.93313	1.6
79.00758	1.5
81.03410	19.7
81.07066	2.2
85.02901	100.0
87.00825	49.6
91.05463	3.0
95.08508	1.9
96.76124	1.7
97.01891	1.6
97.02887	36.2
97.93667	1.6
99.04443	9.0
105.01863	80.4
108.04456	2.9
109.02872	26.9
109.03557	2.4
111.11713	6.3
117.01852	2.3
119.04932	3.0
127.03907	63.1
145.04951	40.7
147.02977	2.0
147.04402	8.2
159.02863	12.3
174.40863	1.6
213.03954	2.8
231.04964	21.1
249.06058	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	394.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19291	5.0
55.01861	6.7
55.05501	17.6
55.05759	4.1
57.03445	7.2
67.05497	21.5
69.03435	10.3
69.07051	12.2
70.06576	11.0
79.05489	18.5
81.03407	9.0
81.07063	50.2
81.21526	4.5
83.04985	7.5
83.08618	6.6
85.02900	30.1
85.06564	8.6
86.09698	6.0
91.05471	17.8
93.07033	20.8
93.80419	4.5
95.08607	63.6
97.02871	11.4
97.06523	11.2
105.07014	23.7
107.08574	13.0
109.06492	13.9
109.95349	5.6
111.08067	6.4
119.04828	5.6
119.08565	31.2
121.10117	19.4
123.08059	7.9
127.03934	7.1
133.10117	27.7
135.11713	16.4
137.13222	12.6
139.07516	5.4
140.14186	4.4
145.10152	6.5
147.04408	11.4
151.11092	6.1
155.91832	4.5
157.10196	6.2
161.09663	6.7
161.13255	87.9
161.60983	5.0
162.27524	5.3
163.07480	5.6
173.13304	4.7
179.14294	100.0
187.11201	5.7
194.64790	4.9
197.15408	38.9
202.21136	5.2
203.04605	7.4
208.89461	4.8
228.42287	4.4
231.03954	33.5
259.03641	7.9
275.16595	5.7
317.17471	8.9
329.29996	4.7
335.10306	17.4
335.89609	5.3
363.09540	17.5
363.17734	5.9
394.22113	11.1
394.26288	11.0
394.31012	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	394.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77631	3.6
55.05513	5.3
57.07076	11.3
59.89041	3.4
61.02264	3.9
61.66553	3.4
63.51643	3.9
67.05510	8.9
70.55048	6.1
70.55389	8.2
81.07062	4.3
83.04965	5.0
91.05480	6.2
93.07036	6.2
95.04951	7.6
95.08569	7.7
105.07014	6.7
107.08612	11.9
109.10175	5.9
111.04414	7.2
111.37659	4.5
119.08587	11.7
119.78848	4.3
133.10152	9.6
145.10130	4.4
147.11725	8.2
153.09094	12.3
191.10634	4.3
217.12207	7.6
229.12227	8.8
244.56819	4.5
293.20514	4.9
294.18979	3.9
299.20032	40.8
303.18887	7.0
317.21014	9.0
360.25079	4.5
370.49664	4.1
377.26251	100.0
395.18237	6.3
395.28119	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	394.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31079	0.4
55.01857	0.8
55.05509	1.5
55.90786	0.4
57.07074	1.0
67.05508	3.3
68.05031	0.5
69.03421	1.3
69.07067	3.5
70.06589	6.0
70.09782	1.1
79.05475	3.7
81.03409	1.1
81.07054	4.6
83.04989	1.1
83.08638	0.8
85.10218	0.4
86.06069	1.4
87.04467	7.5
88.07631	2.6
91.05495	1.8
93.07032	4.5
95.04952	1.3
95.08604	3.2
96.05322	0.5
97.06541	0.7
97.10163	0.5
98.06046	9.4
98.09737	0.6
98.22717	0.5
99.08103	0.5
102.09184	1.5
105.07053	2.8
107.08577	5.1
107.09167	0.5
108.08879	0.6
109.06516	0.6
109.10157	1.1
116.07080	1.5
117.82091	0.4
119.08549	3.9
121.10153	3.4
122.10536	0.5
123.08086	0.5
124.07571	1.0
125.06010	0.5
131.08598	0.7
133.10089	3.3
135.08037	0.5
135.11688	1.5
137.13251	0.5
143.07039	0.6
145.10133	0.8
147.11711	1.8
149.02336	8.8
149.03391	0.7
149.13254	1.2
157.10175	0.5
158.90723	0.4
159.11737	0.9
161.09555	0.5
161.13266	2.8
161.55640	0.4
162.10060	0.5
162.12794	3.7
163.14798	1.2
164.14378	1.0
166.78464	0.5
170.41571	0.5
173.13252	0.7
175.14856	1.8
178.15912	0.8
184.13440	0.6
185.13272	0.5
189.12730	0.5
191.14417	0.4
193.04947	9.7
194.11728	0.8
194.16331	0.5
203.14400	0.5
203.17969	0.5
205.19583	0.8
217.19571	1.2
222.14977	0.6
228.23224	4.8
231.21051	0.6
247.17055	0.5
248.16428	7.7
248.18733	0.7
250.17998	3.7
259.06519	0.4
264.19626	4.8
266.21207	0.5
300.65878	0.4
308.25800	1.2
316.20184	0.4
324.21674	1.1
338.25629	0.4
362.26990	0.8
376.22159	0.7
394.29587	100.0
395.20575	0.8
395.25299	0.8
395.29938	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	394.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16366	1.1
53.97363	1.2
55.05513	4.9
57.07076	4.0
67.05506	4.0
68.05030	1.1
68.94084	1.1
69.07068	7.8
69.13512	1.1
71.08629	36.3
71.11999	1.1
73.45879	1.4
79.05500	1.9
81.07074	6.1
83.05001	1.5
85.06522	1.2
86.09741	6.1
88.11266	100.0
89.11587	2.3
91.05472	3.1
93.07044	6.4
95.04970	3.5
95.08589	7.9
97.06560	1.6
97.10133	1.3
99.08111	4.2
105.07059	3.0
107.08612	4.8
109.06506	6.6
109.10217	1.9
111.11615	1.2
113.00022	5.7
113.37161	1.1
118.12276	3.2
119.08624	2.0
121.06500	1.9
131.08545	1.6
133.10127	2.1
145.10121	2.2
147.11594	1.1
149.13229	1.4
165.12741	21.7
169.02550	6.0
170.02977	2.4
173.13341	1.8
177.12724	1.7
181.95728	1.2
184.13443	2.6
191.14325	5.3
201.12743	1.4
224.20134	2.2
227.10699	2.5
254.21164	2.1
256.13235	1.8
261.22052	2.3
262.21640	2.5
271.20572	3.7
271.23453	1.1
277.35397	1.3
278.24689	8.3
288.23285	2.3
289.21570	9.8
290.22189	1.3
296.25803	2.5
307.22763	2.1
314.77704	1.2
344.51703	1.3
358.30933	3.5
366.24127	1.3
374.55594	1.4
376.32062	34.6
377.32367	2.7
394.23920	2.8
394.33112	6.2
394.40594	2.3
395.27551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01573	8.8
59.82735	9.7
60.58569	8.9
70.38415	14.6
70.38750	10.6
79.57537	9.9
145.02756	11.6
147.04468	13.7
161.02934	10.4
163.03886	69.7
173.02954	13.3
179.29602	10.0
185.02071	15.8
221.02924	29.7
233.02644	100.0
233.04494	10.7
263.04065	11.8
270.64481	9.8
281.04990	13.2
373.12488	11.0
395.05807	55.6
395.10178	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	395.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.5
67.05520	2.3
69.03422	5.9
69.07010	2.3
70.98123	2.8
71.44112	2.6
81.03418	6.4
83.04966	2.9
85.02911	5.8
87.00819	3.7
91.05473	8.8
95.08551	2.8
97.02883	10.2
98.03284	2.5
105.07044	4.4
109.02843	5.4
117.07005	2.9
119.04931	14.5
127.03912	7.7
133.10144	3.7
135.08046	4.0
147.04404	47.1
149.09631	3.1
181.56485	2.2
209.09634	4.6
218.04941	3.2
219.05043	2.7
224.99185	5.7
243.00291	8.4
244.98134	2.6
309.04703	2.6
377.07498	13.4
395.09387	100.0
396.09625	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	395.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34092	2.5
55.74694	2.5
56.96550	3.0
59.04996	2.8
69.03423	5.2
81.03410	5.1
85.02909	7.6
91.05486	5.2
95.08587	4.0
97.02888	10.9
109.02848	8.4
119.04903	14.6
119.08579	3.1
124.70633	2.9
127.03908	4.6
129.54178	2.9
131.08537	3.6
145.10071	3.1
147.04401	49.6
149.09627	6.2
154.03177	4.0
154.04308	2.6
173.09631	3.1
181.56488	2.7
189.09079	3.2
196.50452	2.8
197.09720	3.0
209.09572	4.3
218.04794	3.9
219.05153	3.1
224.99207	6.6
243.00284	7.8
293.05469	4.3
377.07465	14.4
395.09430	100.0
396.09570	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	395.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45745	0.6
58.71310	0.5
87.92968	0.6
143.89986	0.6
222.08221	0.6
395.18256	100.0
396.18567	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	395.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07633	4.1
53.03933	11.4
53.47113	4.1
55.01873	6.0
55.05494	5.9
57.03409	6.6
69.03424	54.6
69.07056	21.8
71.04959	4.1
73.02915	6.4
81.03418	24.8
85.02896	100.0
87.00809	46.2
97.02875	24.2
99.04434	17.9
105.01853	43.3
109.02872	32.1
118.55543	4.9
119.08580	4.7
127.03902	61.6
129.12761	4.8
130.49509	4.7
145.04961	15.7
147.04382	13.4
149.09589	11.0
161.09508	4.5
231.05061	20.8
311.15906	5.0
395.16302	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	395.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01867	2.5
55.05502	8.3
57.03428	13.3
57.07058	3.2
58.98460	1.6
59.04990	2.1
62.90501	2.1
63.96844	1.7
65.03925	2.3
67.05491	14.7
69.03418	6.5
69.07063	16.8
69.10986	13.2
69.86188	1.8
71.04981	6.1
72.26656	1.8
75.88987	1.6
79.05490	34.3
81.03443	2.8
81.07047	100.0
82.07401	1.9
83.04964	15.6
83.08627	2.5
85.02908	2.1
85.06536	16.7
90.99807	1.8
91.05482	10.1
93.07031	16.1
95.04964	7.8
95.08595	19.7
97.06519	19.5
98.22678	3.5
99.04460	3.3
99.08060	5.7
101.43372	1.7
105.07024	21.6
107.04900	2.8
107.08587	25.5
109.02869	2.1
109.06494	20.2
109.10143	35.6
111.08060	3.5
111.25417	1.7
113.09614	2.2
117.06976	4.6
119.04979	2.4
119.08565	27.3
121.06483	4.6
121.10149	18.6
123.08041	16.0
123.11681	11.3
125.05965	2.2
125.09623	11.7
127.07557	7.7
128.89221	2.1
129.07014	3.5
131.08536	16.5
133.10112	25.1
134.45183	1.9
135.08076	14.4
135.11676	12.8
137.06027	2.3
137.09619	9.1
139.11137	4.0
142.07762	2.4
143.07042	3.2
143.08542	8.8
144.09283	2.5
145.10106	22.5
147.04404	5.2
147.08041	6.3
147.11671	20.8
149.09607	13.9
149.13257	3.5
151.07487	2.7
151.11182	20.8
153.12735	2.5
155.08543	3.4
156.09320	2.3
157.10092	10.6
158.10858	2.2
159.08063	3.9
159.11691	14.4
161.09602	19.5
161.13240	5.7
163.11150	8.5
163.14821	3.4
165.09097	4.3
165.12717	2.5
169.10146	6.3
170.10944	3.2
171.11711	15.1
173.09645	3.9
173.13245	24.2
174.10374	2.8
175.11166	17.3
175.14914	3.1
176.11984	6.6
176.14340	4.5
177.12683	5.4
179.10670	18.0
181.10095	3.7
181.12271	2.6
183.10207	4.0
183.11702	8.2
185.09592	2.1
185.13251	7.7
187.11206	6.3
187.14796	5.5
189.12704	19.3
190.13443	6.5
191.10689	2.6
191.14288	53.7
192.14682	2.6
193.12202	6.0
195.11661	4.5
197.13246	8.5
199.11360	2.2
199.14790	5.7
201.12660	9.5
203.10646	6.4
203.14348	7.4
205.12195	4.6
207.13840	6.8
209.13449	3.0
209.15364	12.6
211.14937	1.9
213.12714	6.3
213.16394	2.7
215.14261	13.2
215.17743	2.2
217.12263	10.0
218.12988	32.5
218.14935	3.0
219.13776	65.8
219.77592	1.8
220.14214	3.1
225.12671	3.7
225.16322	2.7
227.14250	4.5
229.15813	6.8
231.13855	9.3
233.15421	4.8
235.13278	2.8
239.14279	3.1
239.17903	5.5
243.17494	4.8
249.18306	2.0
253.19450	4.6
255.17458	4.2
257.19019	3.2
259.20401	2.2
269.18982	3.5
271.17120	2.2
271.20514	8.4
273.18542	3.4
281.19019	7.8
287.20013	18.6
288.20160	2.1
291.19519	7.7
299.19958	27.0
305.21198	9.3
317.17575	3.1
317.21063	63.4
318.21375	5.7
335.22128	21.3
359.22089	3.2
365.23163	3.4
377.18994	2.4
377.23300	10.2
395.19849	8.4
395.24567	17.0
407.05240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03239	1.5
53.03952	3.1
55.01849	2.2
55.05510	8.3
57.03431	20.2
57.07052	1.9
61.00784	1.5
65.03940	2.1
67.05500	10.6
69.03428	3.3
69.07062	12.3
69.65850	6.4
71.04993	5.1
79.05485	33.3
81.07050	100.0
82.07349	1.4
83.04971	5.3
83.08637	2.6
85.06544	16.6
86.98745	1.6
91.05454	9.0
93.07033	12.8
95.04964	5.6
95.08588	13.6
97.06535	14.0
99.04451	2.2
99.08094	4.9
105.07020	17.9
107.08582	17.9
109.06502	13.3
109.10140	17.3
111.08075	4.9
113.05969	1.7
113.09670	3.2
117.07011	3.4
119.08563	17.0
119.91074	1.3
121.06493	2.5
121.10160	15.8
123.08061	14.8
123.11686	5.1
125.09622	8.1
127.07536	5.0
129.07022	2.5
129.27122	1.4
130.07797	2.5
131.08568	11.3
131.90512	1.7
133.10107	19.9
135.08037	8.9
135.11682	9.3
137.09630	8.0
139.11212	5.9
141.09029	3.5
142.07738	2.4
143.08543	4.6
144.09235	2.2
145.10121	21.7
147.07997	3.2
147.11673	12.6
149.09604	6.4
149.13235	2.7
151.07547	2.0
151.11174	18.1
155.08513	1.7
156.09370	3.0
157.10085	7.8
158.10890	7.9
159.08092	3.0
159.11647	10.1
161.09589	16.0
161.13266	4.2
163.11177	7.5
163.14842	1.6
165.12772	3.3
167.10689	2.3
169.10143	3.8
171.11668	8.0
173.09581	5.0
173.13239	23.2
175.11089	10.9
176.11952	10.1
177.09100	1.8
177.12740	3.9
179.10628	14.9
181.12192	3.2
183.10149	5.0
183.11728	4.8
185.09598	2.8
185.13210	7.8
186.10336	1.9
187.11185	9.4
187.14761	3.4
189.12683	10.6
190.13496	1.7
191.14281	74.6
192.14630	1.9
193.12286	4.4
197.13255	5.2
199.11284	2.2
199.14815	4.3
201.12732	7.1
201.16348	3.7
203.14297	9.1
207.13835	5.9
209.13640	1.9
209.15268	7.9
211.14824	3.4
213.12698	7.3
213.16368	2.9
215.14326	15.9
217.12239	3.9
218.12990	10.6
219.13783	25.8
225.12755	2.2
225.16356	2.5
227.14235	2.3
229.15895	3.6
231.13742	5.8
231.17401	3.1
233.15321	9.5
235.13272	1.9
237.12657	1.8
237.14732	3.4
239.17851	2.0
243.17464	4.3
245.15393	2.2
253.19653	2.0
255.17491	2.4
259.20453	3.3
261.18430	2.3
271.16867	2.2
271.20532	9.9
273.18399	2.7
281.18948	5.5
287.20065	14.9
289.21661	2.2
299.20016	28.4
305.21118	7.5
317.17474	2.8
317.21100	45.5
318.21393	2.3
335.22095	8.7
365.23349	4.3
377.23227	9.3
395.24121	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	395.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01752	2.6
51.33377	2.2
53.03955	5.4
55.05514	4.2
57.03435	18.3
67.05506	9.1
69.03424	6.1
69.07061	17.8
71.04978	3.3
77.17999	2.5
79.05487	30.9
81.07051	100.0
81.36655	2.6
85.06535	16.4
91.05490	8.5
93.07042	11.1
95.04980	5.8
95.08613	17.9
95.45475	2.5
97.06528	26.1
99.08092	3.6
104.05424	2.9
105.07027	14.5
107.04961	2.7
107.08605	17.3
109.06490	15.5
109.10169	11.6
119.08559	14.7
121.10110	13.3
123.08099	10.0
123.11755	3.3
124.07914	2.8
125.09633	9.3
131.08566	10.1
133.10126	21.9
135.08084	7.5
135.11691	8.0
136.07587	5.3
137.09641	9.4
141.09128	5.5
143.08565	9.7
145.10133	28.0
147.04451	6.9
147.11717	10.2
149.09604	6.8
149.13280	3.3
151.11191	8.6
155.08632	4.0
157.10126	13.4
158.10870	5.6
159.08005	4.7
159.11705	12.2
161.09587	16.6
161.13222	3.9
163.11197	9.3
165.09024	2.9
165.12706	2.7
165.44453	3.2
169.10118	6.3
170.10857	3.4
171.11729	8.9
173.09692	7.8
173.13277	22.6
175.11176	15.1
176.12012	8.2
177.12781	3.0
179.10689	10.1
183.10223	4.7
183.11674	5.9
185.13303	11.8
186.10413	4.1
187.11211	12.4
187.14767	4.9
189.12738	9.6
191.14291	84.4
193.12247	4.6
197.13257	8.0
199.14929	4.1
201.12711	7.5
201.16368	3.0
203.14267	13.8
207.13846	7.2
209.15372	6.1
213.12744	11.0
215.14291	18.9
217.12239	4.1
218.13036	4.1
219.13808	14.4
227.14322	4.1
231.13882	9.9
233.15396	12.1
243.17416	6.3
253.19417	3.3
271.20602	10.8
281.18948	7.2
287.20102	10.8
299.20090	31.2
305.21121	7.1
317.21124	43.6
335.22110	10.0
336.45682	3.0
359.22324	5.6
365.23535	3.3
377.23203	10.7
395.24307	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	395.2793
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
55.01859	2.2
55.05506	7.6
57.03439	2.0
57.07064	3.7
62.81843	1.7
62.82172	1.4
66.03040	1.7
67.05499	10.6
69.07058	8.7
69.97771	1.5
70.37081	1.5
71.04969	2.1
71.08619	2.0
71.43341	2.2
73.02428	1.6
77.12091	1.5
79.05488	6.9
81.07063	11.6
83.04938	1.7
83.08610	3.9
91.05476	6.5
91.09064	1.5
93.07044	11.5
95.04981	2.8
95.08596	13.9
97.06449	2.3
105.07011	5.3
107.08590	8.2
109.06509	15.4
109.10149	6.1
119.08572	9.0
119.66084	1.8
121.10142	6.2
122.07244	2.0
123.08062	36.4
131.08542	2.7
132.67943	1.5
133.10130	4.0
135.08060	8.1
135.11691	3.5
137.09608	3.0
145.10114	3.3
149.09607	5.2
159.11697	4.0
161.09622	2.1
173.13336	1.9
177.12778	5.5
179.14288	51.8
180.14755	2.0
205.15950	4.9
219.17514	2.5
231.04033	3.9
247.16943	2.9
275.23740	3.9
303.23138	51.7
304.23462	2.6
339.21725	2.6
380.91013	1.7
395.27905	100.0
396.28339	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	395.2791
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
52.15714	0.9
55.01856	2.7
55.05506	9.3
57.03421	2.1
57.07072	4.2
57.65014	0.9
61.40734	0.9
65.03942	1.1
67.05504	10.6
69.03435	1.3
69.07063	7.8
71.04998	2.4
71.08619	3.3
75.37738	0.8
78.93319	0.8
79.05492	7.8
81.07054	13.3
83.04934	1.2
83.08605	2.7
85.06551	1.1
86.25487	0.7
89.14927	0.8
90.15137	0.8
91.05477	10.7
93.07037	11.1
95.04961	3.2
95.08601	13.6
97.06522	2.2
97.10154	1.4
99.08093	2.0
102.44960	0.8
105.07028	6.4
107.08591	9.4
109.06509	15.1
109.10127	6.7
111.08087	2.1
117.07008	1.1
119.08566	9.2
121.06532	1.6
121.10131	5.2
122.07285	1.6
123.08060	49.6
123.11721	2.2
131.08582	4.1
133.10123	5.8
135.08040	14.8
135.11653	2.6
137.09599	4.1
137.13283	0.8
138.87480	0.8
139.11249	1.3
143.08582	1.1
145.10120	5.2
147.08063	1.0
147.11687	2.6
149.09608	6.4
149.13319	1.2
151.11177	1.6
157.10048	1.3
159.11674	3.8
161.09633	2.3
161.13272	2.3
163.11343	1.1
163.14781	1.0
165.12773	1.3
167.14299	1.2
173.13278	2.4
175.11090	1.1
175.14816	1.2
177.12700	5.4
179.14291	55.9
180.14716	1.3
187.14804	1.7
191.14430	1.4
193.15857	2.0
201.16299	1.0
205.15874	7.0
219.17332	1.6
235.17003	2.3
235.74396	1.0
247.16968	4.3
249.18777	1.1
255.21123	0.8
261.22211	1.6
275.23593	4.2
285.22134	1.3
303.23141	62.9
304.23590	4.3
305.45703	0.9
321.24496	1.9
339.21597	2.6
364.81973	0.9
377.26651	1.2
395.27887	100.0
396.28287	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	396.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03942	0.2
64.60554	0.2
66.92715	0.2
69.03412	0.8
69.55923	0.8
81.03406	0.7
85.02898	1.7
87.00816	0.6
95.04952	0.5
97.02901	0.7
99.04468	0.3
103.05459	2.5
105.01862	0.4
109.02895	0.5
127.03911	0.7
128.04939	0.6
130.06520	100.0
131.06839	2.7
131.10663	0.3
145.04945	0.3
146.06047	0.2
148.07562	16.6
149.07870	0.4
155.79509	0.2
159.02777	0.2
162.01413	0.2
193.03175	0.2
328.08029	0.3
360.10641	0.2
378.11627	0.4
396.12793	2.7
396.17038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47585	2.7
53.03951	3.2
56.96237	2.8
57.03426	6.8
65.03950	5.8
67.05494	3.5
68.93356	3.0
69.03429	11.8
79.05502	14.1
81.03405	6.8
81.06621	5.0
81.07058	52.8
85.02895	5.6
86.59706	2.7
91.05490	19.4
93.07060	3.8
94.04136	3.0
95.04970	38.3
97.02886	52.5
98.23420	8.2
99.04443	3.9
109.06519	79.4
111.04439	6.6
112.26921	2.6
115.03898	3.4
119.04922	13.8
121.06473	5.4
123.04423	2.9
135.29033	2.8
137.05975	100.0
138.06311	3.8
139.03889	9.6
140.20889	3.3
140.55620	2.8
147.04420	28.3
155.07103	3.0
165.04094	3.4
165.05464	64.8
183.06528	78.7
190.17552	3.4
228.80247	3.6
253.86877	3.4
314.32086	2.6
414.99542	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	396.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	24.1
58.83338	15.1
64.85454	12.5
67.05492	37.4
69.07036	13.6
80.42653	15.0
81.07049	100.0
95.08588	31.0
98.22686	24.3
121.45610	12.8
123.11733	68.9
139.11151	30.4
151.11163	28.2
154.46292	14.3
169.12247	64.1
187.13339	27.3
199.13252	29.1
239.88220	14.2
293.88187	15.7
361.14890	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	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04160	5.2
55.05497	13.3
55.42655	5.0
57.07061	6.4
57.57980	4.8
66.79678	4.8
67.05486	21.7
67.43783	4.6
69.07050	7.5
71.04981	11.3
71.44360	4.9
79.05463	11.0
81.07051	100.0
85.06523	8.2
93.07030	16.5
95.04982	6.6
95.08581	25.0
97.10154	15.2
104.01142	4.6
105.07070	7.8
107.08567	12.3
108.02699	4.4
121.10152	6.1
123.11699	73.7
139.07509	4.8
151.11180	11.3
153.12729	8.1
168.45198	4.3
169.12207	32.0
173.69765	4.7
187.13297	19.1
190.10863	8.6
191.11188	4.6
199.13248	30.0
219.78769	4.6
234.13654	8.2
234.78262	4.5
355.69287	5.0
361.14868	11.7
396.21298	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	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77893	2.5
57.77025	3.1
69.03392	2.5
70.03561	7.5
70.03894	2.8
70.06586	4.9
74.06091	4.0
76.17726	2.6
85.02899	5.1
91.05485	5.6
93.07053	6.8
95.04965	51.2
97.02872	3.6
107.08611	6.6
109.56790	2.9
111.08077	3.9
112.47027	2.8
120.08140	8.3
121.06519	7.1
123.04443	9.6
135.04362	3.5
135.08047	30.0
139.07513	9.2
153.09024	3.7
160.94777	3.3
163.03941	18.9
163.07481	18.9
174.27588	3.2
181.08589	100.0
190.24323	3.0
199.09654	6.6
223.97681	3.8
234.97011	4.3
235.97762	3.0
246.02254	3.3
251.97211	10.5
252.97937	7.3
258.87323	3.0
275.97122	5.9
335.93607	3.3
379.45334	2.9
396.01321	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	396.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.4
55.01855	10.3
57.03440	14.3
57.30416	2.3
59.05027	2.5
61.02908	7.0
68.99765	4.5
69.03420	33.7
71.04990	6.6
72.74283	2.2
73.02902	7.5
73.06561	11.5
81.03410	24.4
84.04507	4.5
85.02898	100.0
85.03419	4.7
87.00826	48.9
91.03942	2.2
97.02882	40.9
98.97627	2.1
99.04451	15.4
105.01853	75.0
109.02878	29.7
113.09625	2.6
117.01806	3.6
119.08633	2.4
121.06480	2.6
127.03902	76.0
129.01828	4.6
130.05002	3.6
131.10664	24.0
145.04945	37.8
147.02716	2.3
147.07907	2.4
152.91870	2.4
159.02850	15.9
161.16875	2.2
163.03889	4.9
190.07054	6.0
193.03181	6.6
200.45547	2.2
213.03928	4.0
231.04959	16.3
231.11134	2.1
249.06081	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	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.01870	10.7
57.03437	7.9
61.02938	6.1
68.99799	4.3
69.03426	32.8
69.48587	5.1
71.04988	5.1
73.02918	10.2
81.03413	27.0
85.02901	100.0
87.00827	45.5
87.04465	1.6
91.03954	2.3
95.08603	5.1
97.02888	46.0
98.23466	2.6
99.04449	14.3
105.01862	60.7
106.02193	1.4
109.02876	30.8
109.03629	1.7
113.09652	2.0
115.03880	1.2
117.01844	4.9
125.02346	1.2
125.11282	1.2
127.03907	69.0
129.01819	4.3
129.10397	1.1
131.10652	8.5
145.04944	35.5
147.02893	2.3
159.02876	18.2
189.03934	1.8
213.03967	4.1
231.04970	17.0
242.14703	1.2
249.06140	4.0
250.86819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37434	2.9
56.18377	3.0
69.03452	5.0
69.08981	2.8
69.60361	12.8
70.06580	6.1
76.41171	3.1
79.05502	4.3
81.03399	4.2
83.43911	3.7
91.05495	5.1
92.26754	2.7
93.07046	10.3
95.04961	70.0
97.02845	3.5
97.06504	2.9
99.88564	3.0
107.08589	12.0
111.08064	4.0
117.06993	2.8
120.08089	7.1
121.06487	10.0
123.04392	15.3
132.95934	2.9
135.08055	30.8
136.07527	3.8
139.07544	8.2
145.02853	3.2
163.03874	23.6
163.07558	18.5
181.08588	100.0
189.64255	3.3
190.42517	2.8
195.30881	3.0
199.09694	3.4
205.96646	4.0
216.43948	3.0
223.97697	4.3
234.96869	7.6
235.97604	3.3
249.95483	2.6
251.97108	7.3
252.97946	12.5
275.97131	5.8
396.01306	17.3
397.02048	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	396.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01871	7.7
57.03434	5.3
61.02929	6.7
68.99789	3.9
69.03431	35.8
70.49315	2.9
71.04985	4.1
73.02911	6.1
81.03417	20.8
85.02901	100.0
87.00830	53.9
87.01379	1.9
91.03986	2.0
97.02889	35.1
99.04445	10.6
101.02375	1.8
101.11940	1.8
105.01865	79.0
109.02876	32.4
127.03911	67.6
129.01840	3.1
134.35248	1.7
145.04959	33.0
147.04314	1.8
159.02911	11.8
189.03958	4.1
213.03952	2.4
231.04984	16.4
235.04276	1.8
249.06090	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	396.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01870	8.3
55.05495	2.5
57.03442	6.6
61.02919	6.9
68.99770	4.2
69.03426	36.7
69.07034	2.0
69.95575	3.2
69.95904	5.0
71.04989	8.2
73.02914	5.1
79.05481	6.2
79.15617	2.2
80.62938	2.2
81.03416	30.9
81.07059	5.3
83.05003	2.5
85.02898	100.0
87.00816	19.8
91.05484	4.2
93.07025	10.5
95.04954	3.8
97.02880	29.5
99.04458	18.4
103.03894	2.5
105.01856	20.3
105.07022	4.3
107.08567	3.3
109.02867	36.1
109.10148	3.3
111.04427	5.6
117.06985	2.3
119.08598	4.8
121.10146	6.6
127.03901	72.7
129.01859	9.3
131.08575	3.2
133.10104	3.2
143.08585	2.6
145.04947	35.4
147.02876	7.2
149.09576	3.0
157.10170	2.5
159.02916	8.6
159.08008	3.2
161.09619	3.1
171.02927	2.7
189.03943	2.6
213.03877	4.0
231.04993	41.7
249.06046	13.3
250.25928	2.3
278.68130	2.5
329.17560	2.8
332.71973	2.2
397.14478	3.0
407.95578	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	8.7
56.63818	5.0
67.05501	13.5
69.03425	8.9
69.07057	15.7
69.57055	13.1
69.57436	9.5
76.92355	4.9
79.05496	14.2
81.03419	13.4
81.07021	24.6
83.04975	19.7
91.05477	17.3
93.07041	21.1
95.04964	11.9
95.08620	12.3
97.02863	11.8
97.06501	9.0
100.15448	4.9
105.07037	19.4
105.79404	4.6
107.08583	18.7
108.44231	4.9
109.06511	11.1
111.04405	24.6
111.84616	5.1
117.06963	6.8
119.08582	22.8
121.10130	11.8
123.11834	5.5
128.06166	6.3
129.07048	6.5
131.08537	12.5
133.10129	20.4
135.08041	49.6
137.05963	4.8
137.09630	8.9
142.07764	8.7
143.08566	19.0
145.06404	8.9
145.10133	18.1
147.08087	7.7
147.11674	15.2
149.09627	14.8
155.08611	7.9
157.10173	25.1
159.08084	14.1
159.11693	11.2
161.09554	10.3
161.13185	6.0
165.09164	6.7
169.10193	6.8
170.10844	5.5
171.08049	5.9
171.11681	36.8
172.08807	7.0
173.09642	12.6
173.13266	11.1
175.11177	17.6
177.09134	6.5
183.11598	9.8
184.08644	5.9
185.09621	11.2
185.13283	14.5
186.10287	6.3
187.11224	9.7
189.09206	5.7
189.12773	13.3
191.14403	6.1
195.08119	6.2
195.11638	8.2
197.13271	9.4
199.11192	21.6
199.14827	8.3
201.12759	12.0
209.13269	7.6
213.12747	18.7
214.13423	6.5
215.14177	6.1
217.12218	11.9
219.10045	6.1
219.13748	13.9
222.10645	5.8
223.11229	9.1
223.14923	8.4
227.10655	10.6
227.14308	9.3
231.13806	14.0
233.38684	5.3
237.16284	8.9
241.15910	8.6
245.11754	16.2
245.15312	12.1
247.24449	5.7
251.14337	5.5
255.17538	10.4
269.15442	17.2
283.16922	38.3
287.16367	26.2
301.17957	39.3
311.16345	50.1
329.17422	100.0
330.17953	8.5
347.18506	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42069	25.4
55.05487	39.4
56.51453	25.8
67.05495	44.2
69.07081	27.1
69.90071	28.5
79.05479	47.2
81.07071	46.8
92.21204	25.5
93.07053	36.5
95.08559	40.4
98.23495	73.3
105.07063	34.5
119.08535	57.5
121.10119	100.0
128.09131	30.9
133.10149	43.4
145.10114	56.0
159.11743	36.0
173.13278	68.9
175.14787	42.8
193.15877	57.6
221.15373	35.0
301.21719	56.1
384.02332	33.7
396.27682	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	396.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68877	2.5
55.05504	9.9
60.04527	2.8
67.05495	8.9
69.03418	6.4
69.07063	14.7
71.04985	2.7
71.42950	3.4
77.11078	2.3
79.05500	12.9
81.07058	42.2
83.04978	3.2
83.08606	6.7
91.05479	21.7
93.07047	19.9
94.05800	2.4
95.04974	7.1
95.08601	29.0
97.06536	5.2
97.10175	4.5
105.07021	39.5
107.08585	23.7
109.06515	4.2
109.10164	15.2
111.04436	8.7
117.06950	3.6
119.08574	100.0
119.09429	4.9
121.06499	15.5
121.10132	17.3
123.08073	6.8
123.11667	6.1
129.07040	4.7
131.08566	32.8
133.06454	4.5
133.10127	22.9
135.08096	5.8
135.11719	7.4
135.79378	2.2
137.09653	5.1
142.07779	4.2
143.08582	11.6
144.09358	2.5
145.10121	27.8
147.08063	3.8
147.11678	17.0
149.09610	3.3
149.13217	2.9
151.67314	2.8
152.45662	2.2
155.08588	2.6
156.09370	5.2
157.10112	23.5
158.10858	2.7
159.07927	3.8
159.11691	24.1
161.09604	4.5
161.13258	13.5
163.11186	4.7
163.14822	13.2
167.10658	3.0
169.10112	4.2
169.49745	2.5
171.11673	14.9
173.09615	4.5
173.13235	37.4
175.11212	5.3
175.14818	10.8
185.09596	6.0
185.13254	11.8
187.11157	3.3
187.14749	3.1
189.12772	8.8
189.16359	3.1
191.14291	25.0
193.15787	6.2
199.10896	2.5
199.14833	17.5
201.16405	5.5
203.14296	7.0
209.13211	3.8
213.16345	7.0
219.13818	7.4
221.15390	8.3
225.16394	3.3
227.14514	3.2
227.17969	3.3
229.15903	3.5
229.19511	3.7
245.15335	2.5
255.21068	15.1
257.18951	4.4
283.20584	20.4
301.21606	21.3
319.22717	6.1
338.85840	2.8
368.59174	2.6
397.19543	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	396.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12659	9.2
69.07084	18.6
70.68297	11.3
71.45064	11.3
79.05508	11.0
81.07056	21.3
93.07040	27.0
95.08622	22.8
97.06506	23.3
105.07000	21.9
107.08601	29.6
109.10188	15.6
119.08589	52.3
121.10157	37.2
123.08096	14.8
133.10129	34.9
135.11761	25.4
137.62831	12.7
145.10120	12.0
147.11707	12.8
167.10675	43.1
175.14842	28.5
185.13254	15.2
193.15862	100.0
203.14302	25.8
214.63921	9.7
215.14351	12.0
215.17888	15.4
221.15332	82.2
257.18964	21.4
266.99838	10.7
275.20148	21.2
283.20618	25.7
301.21634	34.9
319.22678	72.0
359.18600	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	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56108	12.9
55.05520	18.1
57.07070	14.0
61.72811	13.0
62.35831	17.6
63.81373	16.6
67.05513	28.1
69.49390	74.0
79.05492	29.8
81.07048	88.1
81.49621	15.5
91.05501	22.6
93.07074	36.7
95.08604	40.6
102.16240	15.9
103.66034	13.9
105.07032	52.4
107.08633	16.5
109.10148	31.3
119.08601	32.9
119.90469	13.3
121.06417	16.5
121.10179	24.3
131.08583	28.8
143.08575	41.9
145.10106	35.7
147.11702	53.7
151.00899	15.1
155.08495	22.8
157.10127	27.5
159.11681	33.2
161.13271	17.6
163.04980	14.9
163.11165	64.4
171.11685	33.4
173.13268	63.7
183.11595	25.6
185.13242	100.0
189.12769	26.0
193.12225	16.0
195.11684	26.6
197.13235	23.4
211.14780	33.1
231.13626	17.7
253.19528	66.2
255.21071	18.0
265.19498	29.8
271.20520	16.4
283.20554	33.1
301.21686	21.8
397.21686	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	397.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58200	1.1
57.02487	1.1
67.81084	1.1
68.50984	1.2
70.45705	1.1
86.09664	1.3
91.71706	1.1
125.61266	1.1
134.99930	1.9
139.86200	1.2
149.05972	1.3
158.99878	4.6
176.99460	2.5
177.00940	34.0
178.01056	3.5
182.99979	2.8
185.01326	1.7
201.00931	7.7
203.02481	25.2
204.02745	1.8
219.01990	100.0
220.02106	11.4
221.01758	1.7
224.02469	1.7
234.54271	1.3
236.00182	1.3
242.03575	22.0
242.07256	2.8
243.03854	1.4
247.01483	2.2
260.04669	1.9
261.03058	1.8
265.08258	1.8
268.08722	3.5
272.08041	2.0
273.89777	1.5
284.04590	6.2
284.08243	14.1
296.08353	4.6
297.68137	1.4
301.01096	1.6
302.01080	1.9
302.05688	2.4
314.09323	40.5
314.59396	1.5
315.09384	5.1
332.10382	61.4
333.10602	6.5
337.11020	3.2
350.11398	3.9
355.12036	21.6
356.12338	2.5
373.13055	15.7
374.13336	2.4
379.11972	9.0
397.13190	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	397.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
51.32259	0.7
53.03946	5.3
55.01861	4.3
55.05513	3.7
57.03433	3.4
61.02924	5.7
65.03927	2.3
67.01842	1.0
67.05496	6.1
68.99785	7.6
69.03426	22.0
69.22224	5.6
71.04982	5.2
73.02914	1.7
77.03936	1.7
79.05487	31.1
81.03413	25.0
81.07052	9.8
82.03753	0.8
83.04967	2.7
85.02904	18.2
85.06564	0.9
87.00821	10.0
87.04507	1.1
91.05477	26.4
93.07042	74.8
94.07395	1.1
95.04966	22.0
95.05536	1.7
95.08617	6.3
97.02885	10.2
97.06555	2.5
99.04460	5.3
100.11278	0.9
103.03933	1.9
103.05463	2.7
105.01884	1.7
105.04524	3.1
105.07027	28.3
106.07870	1.0
107.04967	5.3
107.08589	24.4
109.02868	17.2
109.06521	7.0
109.10193	1.3
111.04456	3.1
111.08096	1.0
115.03941	0.9
115.05442	1.9
117.07032	3.8
119.06114	0.9
119.08572	15.1
121.06521	10.5
121.10140	100.0
122.10479	3.7
123.04445	3.7
123.08088	4.1
123.11708	3.2
125.05986	2.5
127.03910	21.4
128.06216	1.7
129.01833	7.9
129.07001	3.9
131.08559	10.9
133.06511	2.0
133.07512	2.0
133.10133	4.4
135.04453	1.5
135.08051	2.7
137.05983	3.3
139.11189	2.6
141.06984	1.6
142.07761	1.6
143.08549	2.9
145.04849	1.0
145.06494	2.5
145.10106	7.3
147.02888	3.8
147.08020	5.9
147.11681	1.4
149.05986	1.6
149.09607	39.9
150.09966	3.1
151.07562	1.1
153.01871	0.8
153.06889	1.0
155.08585	1.3
156.07402	1.0
157.10144	2.2
159.08057	3.5
159.11707	1.9
161.06044	1.5
161.09625	6.9
163.07524	1.0
163.11209	1.8
165.07062	1.0
165.09097	1.1
167.10663	4.9
169.10104	1.0
171.08089	2.1
173.09639	3.9
175.07512	1.5
175.11159	1.7
177.05476	1.0
177.09198	1.0
179.06964	1.1
183.07945	0.9
183.11661	1.0
185.09685	2.3
187.11110	2.6
189.09129	2.1
191.07037	1.1
191.10646	4.1
195.08145	0.9
196.08905	1.0
197.09683	1.1
201.09094	1.3
201.12767	1.1
203.10712	1.3
211.11183	2.5
213.03954	1.9
215.10667	3.0
229.12286	3.5
231.04985	1.8
231.10443	0.9
233.11736	1.9
239.10742	2.8
245.11676	1.0
257.11710	3.5
275.12854	3.7
293.13867	2.1
311.14874	2.6
335.14877	3.5
351.14783	0.9
353.16016	1.3
361.12973	1.5
379.13928	2.0
397.14810	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	397.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30399	0.5
57.03439	0.7
69.03418	0.7
69.27466	1.6
69.27874	1.3
70.06561	0.5
73.65469	0.5
87.50804	0.5
105.06972	1.1
119.08581	1.3
119.67225	0.5
121.10145	1.0
127.03910	0.7
133.10124	2.1
143.08551	0.7
161.09561	1.5
185.04214	9.7
191.14270	1.9
194.15503	0.5
211.15111	0.6
213.12659	0.5
223.73643	0.5
235.13026	100.0
236.13408	3.8
327.15768	0.6
355.70404	0.6
363.17816	0.8
397.18295	70.3
398.18402	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53925	0.4
67.05488	0.8
71.05693	0.5
71.42881	0.4
77.74094	0.5
95.04992	0.4
108.75303	0.5
119.08598	2.0
121.10159	0.5
133.10164	0.7
145.10127	0.6
164.94577	0.4
167.10696	0.5
173.30588	0.4
184.07330	0.8
207.74567	0.4
210.19798	0.5
222.15559	0.4
279.72989	0.4
317.06107	0.4
319.22842	0.4
337.17764	3.2
397.19846	100.0
398.15335	0.5
398.20190	6.2
420.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.0
55.05015	5.4
55.05515	8.6
57.03435	22.1
61.02919	9.9
61.39408	5.5
67.05503	27.0
69.03415	34.6
69.07062	10.9
71.01353	12.0
71.04974	8.8
73.02910	13.5
73.21432	5.8
79.05485	42.8
79.73232	6.6
79.73660	5.7
81.03394	29.6
81.07062	83.7
83.04984	19.4
83.08619	10.9
84.59122	5.9
85.02898	41.9
91.05472	39.2
93.07040	66.9
95.04960	40.9
95.08609	40.3
97.02891	36.3
97.06518	39.9
97.73494	5.8
98.22690	12.9
99.04475	9.3
101.02380	15.3
103.03969	11.3
105.04569	5.9
105.07024	100.0
107.04932	9.3
107.08595	32.4
109.02864	8.0
109.06512	58.2
109.10148	5.9
111.04455	22.6
117.07012	25.1
119.08562	37.0
121.06493	45.1
121.10139	16.0
123.04426	23.6
123.08038	14.1
125.06007	12.5
129.07007	19.5
131.08578	60.2
133.06493	16.5
133.10091	29.5
135.08057	9.6
139.03894	7.6
142.07762	13.3
143.08574	58.5
145.06526	9.8
145.10117	63.1
147.08081	9.1
147.11707	15.0
151.03946	7.5
151.07544	87.8
155.08537	29.0
157.10170	44.0
159.08055	19.1
159.11734	11.3
161.09558	12.2
165.06963	8.8
167.08536	10.4
169.08614	23.7
169.10153	24.7
171.08022	12.3
171.11671	13.6
173.09641	26.0
173.13216	41.2
175.11186	17.6
179.08516	9.4
181.10086	16.1
183.08154	8.2
183.11693	26.6
185.09613	14.7
185.13280	22.5
189.63022	6.4
191.14302	29.4
193.10120	7.2
195.11684	20.2
197.09612	13.1
197.13266	19.5
199.11186	8.2
199.14824	16.5
201.12703	14.2
203.09155	8.7
203.14352	45.4
209.13203	14.7
211.14844	23.2
213.16394	16.3
215.10728	8.9
215.14236	7.2
217.15794	7.7
219.13820	17.6
221.13188	6.7
223.14809	19.1
225.16386	9.7
227.14447	7.7
229.15907	23.8
235.14586	12.0
239.14331	13.5
241.15848	30.3
245.15253	8.0
246.90973	5.9
247.16992	12.2
253.15848	9.3
259.16974	19.6
265.15906	8.0
269.15317	12.2
271.17007	10.6
277.15906	8.7
279.17395	8.6
283.16891	35.1
289.17899	10.5
295.16989	34.2
297.14722	7.6
299.09351	6.2
301.18008	27.0
307.16898	18.4
313.17926	19.8
325.17935	31.7
343.18982	48.0
361.19995	32.2
379.21313	28.7
397.22488	42.6
398.22592	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	397.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01864	1.0
55.05511	3.8
57.03430	2.6
57.07069	1.2
65.03928	1.7
67.05499	5.4
69.03418	2.8
69.07063	5.6
71.05009	1.1
71.08639	1.0
71.44207	0.8
79.05490	23.9
81.07050	100.0
82.07386	1.3
83.04975	1.9
83.08622	1.7
85.06535	18.6
91.05460	3.8
93.07045	8.3
95.04955	2.3
95.08605	6.4
97.06532	4.8
99.08090	17.7
105.07030	7.0
107.08588	13.3
109.06515	8.7
109.10141	5.3
111.08044	3.4
117.07033	1.4
119.08584	8.3
121.10131	14.2
123.08056	2.7
123.11670	4.6
125.09614	2.7
127.07541	5.1
129.06989	1.3
131.08580	2.9
133.10114	7.9
135.08058	1.7
135.11685	5.7
137.09627	3.1
139.11194	3.0
143.08562	2.0
144.09334	0.7
145.10117	8.3
147.08026	0.8
147.11647	4.2
149.09692	1.6
149.13245	2.0
151.11145	6.1
157.10107	3.6
159.11688	6.6
161.09639	1.4
161.13272	1.9
163.11194	13.7
163.12463	1.5
165.12746	1.2
169.12279	2.5
171.11697	3.6
173.09581	1.1
173.13255	4.4
175.11250	1.0
175.14812	4.9
177.12775	3.4
183.11755	1.3
185.13283	2.9
187.14827	3.0
189.12756	2.2
191.14305	4.4
193.12309	1.6
193.15857	7.8
197.13225	1.1
199.14906	1.2
201.12781	2.0
201.16353	1.6
202.13541	1.4
203.14175	3.7
209.13283	1.0
211.14743	1.2
211.38170	0.7
213.16379	3.0
215.14287	1.7
217.15819	1.0
219.13850	1.4
220.14525	1.0
221.15300	1.8
223.14922	0.9
225.16396	1.1
227.14384	0.8
227.17966	1.7
229.15863	1.0
231.17444	3.1
243.17725	0.8
245.19058	0.9
257.19104	0.9
265.19550	1.1
267.28360	0.6
273.18527	0.8
283.20544	4.3
289.21725	1.2
293.21255	0.7
301.21588	11.3
319.22638	7.7
361.23679	5.1
379.24753	75.4
380.25134	4.4
397.25888	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	397.2585
Annotation	3-[8-[(Acetyloxy)methyl]-13-hydroxy-4-(hydroxymethyl)-12-methyl-11-tridecenyl]-2(5H)-furanone
Peak:m/z	Relative Intensity
52.90713	1.3
53.03944	2.1
55.05505	2.5
57.03434	4.0
63.88519	1.1
65.97600	1.1
67.05502	3.5
69.03426	1.6
69.07069	4.9
69.64597	0.9
69.67588	3.5
69.67930	1.7
72.86011	1.0
74.83169	1.0
79.05039	2.0
79.05493	25.9
81.07054	100.0
82.07405	2.0
82.13557	0.9
83.04956	1.3
83.08575	1.2
85.06532	17.3
91.05476	2.8
93.07045	6.4
95.04970	1.6
95.08610	4.0
97.06538	5.3
98.23409	1.6
99.08088	14.4
105.07014	7.1
107.08598	9.5
109.06517	6.9
109.10144	4.3
111.08090	2.2
117.07022	1.3
119.08587	9.8
121.10136	16.5
123.08070	3.5
123.11693	3.2
125.09605	2.7
127.07557	5.7
129.07031	1.1
131.08577	2.2
133.10106	7.3
135.08066	2.0
135.11702	4.5
137.09586	2.1
139.11157	2.0
143.08556	1.9
145.10155	4.9
147.11668	2.3
149.09572	1.7
151.11119	3.1
156.09300	1.2
157.10094	3.2
159.11710	5.8
161.09651	1.3
161.13313	1.8
163.11160	7.4
165.12791	1.3
169.10059	1.1
169.12202	1.7
171.11685	4.5
173.09612	1.4
173.13242	4.4
175.11125	2.2
175.14841	5.3
177.12775	4.7
181.12346	1.3
185.13222	2.7
187.11195	1.5
187.14778	2.0
189.12814	1.4
191.14287	4.4
193.15875	9.0
197.13235	3.1
199.14819	1.4
203.14268	4.1
205.15900	1.5
211.14760	1.4
213.16373	1.6
215.14357	4.4
217.15878	1.5
221.15352	2.4
223.14929	1.3
227.14336	1.8
227.17905	1.8
231.17369	2.0
233.15318	4.2
239.17844	1.2
248.20711	1.1
257.19003	2.3
263.16550	1.2
271.20792	1.1
282.61096	1.0
283.20560	4.0
289.21490	1.4
301.21567	11.4
304.29611	1.0
319.22644	7.1
337.23651	1.4
361.23645	2.4
379.24786	50.8
380.24930	4.0
397.25937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2584
Annotation	3-[8-[(Acetyloxy)methyl]-13-hydroxy-4-(hydroxymethyl)-12-methyl-11-tridecenyl]-2(5H)-furanone
Peak:m/z	Relative Intensity
50.72077	1.0
50.96572	1.0
51.42159	0.9
52.06380	0.8
52.98026	0.9
53.03931	2.6
55.01863	1.0
55.05500	2.3
57.03432	3.5
65.03922	1.3
67.05495	6.0
69.03418	1.5
69.07054	5.6
69.84917	3.4
71.04968	1.0
79.05485	24.6
79.33572	0.9
81.07050	100.0
82.07379	2.4
83.04993	1.1
83.08640	1.1
85.06541	18.5
91.05490	3.4
93.07028	6.0
95.04949	3.2
95.08598	6.3
97.06538	4.8
98.23373	1.2
99.08084	15.7
105.07027	6.9
107.08575	12.0
109.06516	9.1
109.10138	6.0
111.08086	2.6
119.08569	7.2
121.10133	12.9
123.08062	4.1
123.11718	5.1
125.09615	3.9
127.07539	6.8
131.08572	2.2
133.10100	7.0
134.10519	1.2
135.08072	2.1
135.11658	7.0
136.18745	0.9
137.09618	2.1
139.11176	2.7
143.08530	2.1
144.09358	1.6
145.10103	8.0
147.11642	3.4
149.09621	1.5
149.13306	1.4
151.11151	6.0
157.10135	3.7
159.11674	6.8
161.09581	2.0
161.13286	2.3
163.11179	13.7
169.10060	1.2
169.12257	2.3
171.11722	5.0
173.09659	1.0
173.13217	5.0
173.45551	1.0
175.11176	2.5
175.14835	6.4
177.12747	3.3
183.11722	1.0
185.13242	3.4
187.11192	1.0
187.14830	2.8
189.12746	1.8
189.16258	1.2
191.14281	3.9
193.15894	7.3
197.13324	1.3
199.14867	1.9
201.16577	1.1
203.14354	4.5
206.87981	0.9
210.91678	1.1
211.14911	1.1
213.12729	1.4
213.16382	2.1
215.14322	2.0
217.15910	1.2
219.13792	1.2
220.14465	1.5
221.15303	2.6
227.17844	1.9
231.17490	3.7
239.18010	2.0
241.15918	1.1
245.19171	1.3
257.19025	1.6
271.20703	1.1
283.20428	5.7
289.21619	1.0
301.21619	12.5
319.22720	10.2
337.23566	2.6
361.23840	5.6
379.24753	79.5
380.24915	4.5
397.25610	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	38.8
67.05503	10.5
69.07085	8.0
70.88441	6.9
79.05504	13.0
81.07047	24.1
83.59466	4.7
85.06509	5.6
91.05483	7.7
93.07050	14.1
95.08622	8.8
97.06554	6.6
98.98296	5.4
105.07050	8.8
109.10133	16.3
119.08598	18.9
121.10115	37.3
127.11183	40.8
131.08571	7.8
133.10104	12.1
135.08096	7.1
139.11171	54.7
141.14503	5.5
145.10104	15.8
157.10173	7.5
157.12238	100.0
159.11703	11.8
164.13565	5.3
191.14354	11.7
203.14171	5.6
205.12144	5.2
215.14325	14.4
271.20657	6.7
283.20535	5.6
301.21594	18.5
319.22668	18.4
348.24722	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	397.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91883	3.2
55.05497	8.9
56.96551	3.8
57.07071	4.6
57.26069	3.5
67.05509	21.3
69.03428	3.9
69.07065	100.0
71.04980	12.6
79.05495	10.5
81.07055	48.4
82.99635	3.3
85.06548	7.8
86.06066	9.6
87.04472	11.6
91.05473	13.5
93.07032	6.2
95.08616	27.6
101.09656	86.7
103.02953	3.2
104.07123	21.5
105.07016	8.9
107.08600	7.6
119.08572	10.9
121.10156	7.8
123.11723	5.0
131.08601	3.6
135.11699	15.9
137.13268	7.6
147.11696	13.4
155.90128	3.5
161.22186	3.6
162.33937	3.4
162.39020	3.0
165.12737	8.4
179.14328	3.6
181.12233	10.6
183.13809	17.3
196.95744	3.4
197.15384	14.4
297.13745	26.4
315.14755	69.7
319.26495	4.9
347.25842	45.2
348.26120	3.8
354.33594	14.7
367.73392	4.2
375.18369	27.6
379.28387	14.8
393.19424	43.8
397.34833	90.9
398.36099	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
57.03444	0.2
69.03430	0.8
69.68793	0.3
69.69178	0.3
71.04949	0.2
73.02911	0.2
81.03394	0.5
85.02900	0.9
87.00806	0.5
97.02885	0.4
97.10161	0.2
97.58385	0.2
99.04472	0.2
105.01876	0.3
105.07022	0.4
109.02855	0.7
115.05452	1.2
117.05753	18.8
118.06103	0.5
125.09650	0.2
127.03944	0.4
130.06526	3.1
131.07288	0.4
132.08080	100.0
133.08415	3.2
146.72496	0.2
150.09132	26.7
151.09497	1.1
159.02933	0.2
191.92108	0.2
192.10204	0.2
230.70438	0.2
231.05080	0.2
259.55698	0.2
312.14508	0.3
380.13501	1.0
398.14465	7.0
399.12408	3.5
418.36301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11023	0.4
55.54370	0.5
56.04994	0.7
58.57750	0.4
69.75544	1.3
70.06584	1.0
71.04956	0.5
85.46931	0.4
91.95900	0.5
97.02895	2.5
98.23488	0.6
102.05572	0.9
106.06516	0.5
110.07139	1.1
114.37489	0.5
123.33821	0.4
132.08098	1.0
136.06195	3.1
148.11171	2.7
158.09612	0.6
159.10437	1.1
160.11237	0.9
174.12776	35.4
175.13107	1.9
188.10699	17.7
189.11070	0.7
190.08577	0.7
191.09372	0.7
203.05284	1.3
206.11748	33.9
207.12090	1.4
213.00586	0.6
218.11737	4.7
236.12799	100.0
237.13148	4.0
250.09378	3.6
299.47281	0.6
398.18076	77.1
399.13205	1.0
399.18439	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	398.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11041	0.7
57.03444	1.0
58.06608	1.5
69.03392	1.0
69.70951	2.8
73.02895	1.2
76.11240	0.8
84.08125	1.9
85.02882	1.1
98.22750	1.5
104.50176	0.8
106.02895	2.5
115.03915	1.1
123.05545	68.3
124.05915	0.9
133.04927	0.9
144.10190	100.0
145.10541	2.1
150.27261	0.7
161.91660	0.7
217.60031	0.7
232.80676	0.7
252.58650	0.7
255.09726	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15989	2.6
55.01867	5.1
55.05507	5.6
57.03435	24.6
59.96956	2.8
61.02916	10.9
67.05504	9.9
69.03429	30.7
69.07059	25.8
69.07368	6.8
69.07794	12.6
70.06586	11.7
72.08154	3.4
73.02917	58.4
73.03333	2.8
73.06559	14.1
81.03434	6.8
81.07059	6.4
85.02903	71.7
86.09689	4.2
87.04462	4.8
91.05474	16.4
93.07040	15.7
95.06092	6.5
95.08599	15.9
97.02894	42.0
98.23530	5.9
99.04476	4.0
101.02357	5.3
103.05455	3.4
103.50104	2.8
105.01884	3.8
105.07034	4.3
109.02881	6.6
109.10152	11.0
114.09116	4.5
115.03925	32.1
115.07564	8.2
119.08586	39.5
123.08064	3.4
124.03970	5.4
127.03934	26.7
132.10204	4.8
133.04980	11.1
133.08618	7.0
136.06215	5.4
137.09605	37.1
145.04956	35.1
147.08072	6.0
150.07587	3.3
155.10742	2.6
163.06042	19.2
165.09129	8.5
177.05415	4.3
183.10204	9.1
189.96030	2.8
195.10243	7.3
201.11215	100.0
206.11592	4.2
213.11205	6.9
219.12286	11.2
223.05829	3.5
233.02502	2.8
241.07135	5.1
250.09370	6.7
268.08124	3.2
288.14569	2.7
295.10016	3.7
381.11765	3.4
398.14374	4.6
399.12524	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	3.8
57.03434	38.4
61.02917	14.5
69.03430	44.7
69.07063	48.6
69.40919	11.6
71.01345	6.1
73.02913	79.3
81.03400	7.4
85.02900	100.0
87.04491	4.3
91.03954	3.4
97.02885	62.9
98.23403	5.8
99.04443	9.3
101.48932	2.7
103.03976	3.7
109.02879	8.8
111.08096	4.3
115.03932	51.6
121.06556	2.8
127.03909	33.5
132.08136	7.2
133.04988	19.3
137.09633	2.6
145.04958	58.4
153.26497	2.3
163.06036	43.9
201.11115	3.7
223.06087	8.0
231.12177	4.1
241.07066	7.0
259.08112	13.0
295.10165	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	398.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92636	1.7
53.03942	2.7
55.01866	3.1
57.03440	14.0
58.24291	1.5
60.34810	1.9
67.05504	2.9
69.03426	4.6
69.07078	1.9
69.85533	5.4
71.01328	2.2
71.04978	5.3
74.61915	1.7
79.05481	3.2
81.03398	2.5
81.07040	5.1
83.04976	3.9
83.08608	2.2
91.05485	4.1
93.03396	7.1
93.07041	5.2
95.08606	4.3
97.06550	4.9
97.81087	1.6
98.23374	3.3
99.04453	13.0
101.08318	1.8
105.07035	5.5
107.08595	8.3
109.02866	3.7
109.06501	4.4
109.10150	7.2
111.04419	8.6
119.08575	9.1
121.06525	3.4
121.10115	4.7
123.08071	4.9
125.05988	7.5
125.09644	3.4
127.03945	4.4
128.06270	2.3
129.06966	2.8
131.08546	5.4
133.10103	8.3
135.08041	4.8
135.11719	3.3
137.05966	3.8
137.09607	3.7
143.08566	8.4
145.06482	1.8
145.10139	4.8
147.08022	4.4
147.11711	3.6
149.09605	9.1
151.07536	2.8
151.11172	6.0
155.08730	1.8
157.10175	5.7
159.08058	5.6
159.11668	4.6
161.09605	22.9
161.13278	3.9
162.10013	1.7
163.11191	3.2
169.10115	4.7
171.06606	4.0
171.08099	4.0
171.11736	10.6
173.09647	10.7
173.13255	5.2
175.11201	10.0
176.11958	2.1
177.09056	2.1
177.12700	1.9
179.10696	6.2
181.10059	2.1
182.10791	2.0
183.06557	2.0
183.11693	3.5
185.09590	3.9
185.13164	8.6
187.07501	2.8
187.11192	7.3
189.09077	3.7
189.12733	10.1
191.14264	13.1
193.12198	2.2
195.11705	4.2
197.08076	3.3
197.09665	2.2
197.13118	2.0
199.11186	4.5
199.91631	2.1
201.12686	4.0
207.13809	5.9
209.13297	2.4
211.11209	3.7
211.14754	2.4
213.12735	9.0
215.10648	4.9
217.08606	2.3
217.12254	6.1
219.13824	9.0
225.12759	2.7
225.14870	2.0
227.14374	5.0
229.12128	2.8
231.10153	2.8
231.13788	6.5
235.13307	5.0
243.13759	3.8
245.15405	3.6
253.12100	3.6
253.14290	8.5
255.13782	4.4
257.15396	2.2
261.11316	2.1
261.14954	2.4
267.13647	2.9
271.13174	4.9
273.14880	4.3
281.15311	2.5
285.14902	2.4
289.14374	2.6
292.02231	2.3
299.16422	5.8
307.15506	2.3
309.14679	2.1
317.17450	26.6
318.17850	1.8
327.15900	8.5
335.18491	60.6
336.18784	3.0
337.16562	2.1
345.16922	37.0
346.17172	3.5
363.17953	100.0
364.18262	7.9
381.19034	11.0
398.21695	5.8
399.19901	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	398.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.03444	7.6
58.70642	1.6
67.05503	8.7
69.03421	6.1
69.07063	3.7
69.62120	1.6
69.62460	6.5
69.88303	1.5
70.82181	1.5
74.20785	1.7
79.05507	2.8
81.03418	21.6
81.07035	4.2
83.04966	3.2
91.05479	4.5
93.07035	7.3
95.04961	29.0
95.08588	5.1
97.02863	3.0
97.06527	2.7
98.23432	2.9
105.07015	5.9
107.08587	10.1
109.06517	8.6
109.10162	11.6
113.05978	3.9
117.07027	2.8
119.08582	9.2
121.06477	4.8
121.10149	5.4
123.04397	4.6
123.08056	14.7
123.11658	2.3
125.09611	6.7
129.07005	1.8
131.08577	4.9
133.06480	2.1
133.10126	8.2
135.08055	11.0
135.11644	3.7
143.08511	3.3
145.06470	7.3
145.10091	7.1
147.08031	4.5
147.11687	4.2
149.09625	3.8
149.13239	2.4
151.07542	2.1
151.11182	12.9
156.09311	2.0
157.10121	7.4
158.10931	3.0
159.08043	3.9
159.11694	4.3
161.09576	8.5
161.13271	2.2
163.07489	1.7
163.11159	3.1
165.09109	2.6
169.09987	2.1
171.11690	6.8
173.09653	1.8
173.13306	9.9
175.11194	5.4
176.11963	1.8
177.09108	1.9
177.12624	1.7
179.10649	13.4
181.08585	3.0
183.11682	2.5
185.09645	2.5
185.13268	2.5
187.11125	2.6
189.09062	1.9
189.12654	2.9
189.43774	1.7
191.14291	23.8
195.11684	2.0
196.12289	1.7
197.13364	1.9
199.11160	3.8
199.14838	2.0
201.12775	3.8
205.12210	5.4
209.15404	5.2
213.12744	3.6
215.10707	2.8
219.13770	11.8
223.09541	2.7
227.14305	2.4
229.15828	3.1
233.90506	1.7
239.14325	3.6
241.15871	2.2
245.15271	3.4
253.15826	2.6
257.15305	5.2
267.17285	3.5
271.16946	2.9
285.18478	2.9
287.16428	2.6
295.16800	9.1
313.17963	45.7
331.19009	100.0
332.19302	7.0
349.20020	16.6
350.20178	2.8
367.20895	2.5
399.16174	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	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.7
57.07064	13.7
61.27860	12.2
67.05508	13.9
67.74268	11.4
69.07070	19.5
69.41178	59.9
77.92280	10.4
81.07062	38.6
91.05480	14.4
93.07057	21.1
95.08606	41.0
105.07028	27.9
107.08599	25.3
109.10156	62.6
111.11699	16.7
119.08569	36.8
121.10164	27.8
123.11720	25.0
133.10165	29.2
147.11688	62.0
159.11696	29.0
159.13960	11.2
161.13225	55.3
173.13252	22.3
175.14836	38.7
193.12198	60.2
194.15466	19.2
201.16365	22.3
207.13914	27.6
219.13670	13.2
221.15346	32.7
257.22717	100.0
258.22891	17.0
285.22015	13.2
303.23166	94.2
304.23474	14.2
310.25095	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	398.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.76421	1.0
88.07611	1.5
100.50543	1.1
111.28374	1.6
111.47271	1.1
151.72386	1.3
161.81900	1.2
172.05275	1.2
216.78101	1.1
256.26331	2.4
285.22244	1.5
318.29999	1.6
321.24319	2.5
398.24112	100.0
399.24841	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	399.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81814	0.4
55.05472	0.4
57.03429	0.4
69.07057	0.5
85.16243	0.4
99.04453	0.5
101.00890	0.4
104.75263	0.4
105.06966	0.5
109.48751	0.3
119.01954	0.8
119.08537	0.5
122.06030	0.6
127.00058	0.5
127.78671	0.4
133.10133	0.8
134.10419	0.7
138.93498	0.4
143.01834	0.5
161.02968	0.4
173.95905	0.4
185.04231	0.7
191.14250	0.7
192.14688	0.5
199.89105	0.4
214.13354	0.5
227.05307	1.5
227.14233	0.4
242.96164	0.4
243.04706	6.0
253.03278	0.5
271.04205	2.6
287.03696	18.6
289.05292	1.8
313.16022	2.4
336.19681	0.5
337.16135	0.7
346.17267	0.6
355.17224	17.1
356.17413	1.1
399.16196	100.0
400.16626	6.0
400.21262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47109	0.6
67.05463	0.7
81.03413	2.4
81.07044	1.6
95.04964	3.9
95.08629	1.1
98.23449	2.5
104.52968	0.8
105.06982	0.8
117.03907	0.7
121.10190	1.0
123.08065	1.0
123.11752	1.2
137.13220	1.3
189.79703	0.7
245.73584	0.8
251.70331	0.9
339.19287	35.1
340.19623	2.4
399.21399	100.0
400.21768	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	399.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96085	1.1
55.05503	1.5
59.08906	1.1
65.57040	1.2
67.05502	7.6
79.05493	2.3
81.03407	1.5
81.07047	3.0
93.07050	2.4
95.04958	7.1
95.08614	8.6
105.07008	2.6
107.04939	3.0
107.08567	3.6
109.06490	3.2
109.10152	12.9
113.78725	1.3
117.07008	1.3
119.08556	5.2
121.06510	6.0
131.04868	1.6
131.08507	1.4
133.06459	3.0
133.10152	1.8
135.08018	2.1
145.06480	2.2
145.10158	1.5
157.10046	1.9
159.11642	1.3
161.09613	2.0
161.13243	1.7
171.11723	2.6
173.09608	2.5
173.13278	1.9
175.11205	2.5
181.10138	1.8
185.09645	2.5
187.07320	1.5
187.11171	4.3
189.12756	5.4
199.11142	6.3
200.08253	1.6
201.09038	1.6
203.14279	5.6
211.11247	2.5
213.12740	3.1
215.10701	10.8
215.14256	4.8
221.13179	2.0
223.11223	1.7
227.10616	1.5
237.12749	2.4
264.15112	2.1
269.19006	12.6
270.19534	1.5
279.17389	6.6
282.16031	1.5
297.18460	100.0
298.18976	6.0
298.21677	1.4
310.09879	1.4
357.20569	18.1
358.20929	1.6
399.20901	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	399.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01868	1.6
55.05510	8.3
56.05032	6.3
57.03434	1.1
57.07075	3.0
59.92430	0.5
60.04523	100.0
65.03938	0.6
67.05157	1.1
67.05499	13.5
67.27478	0.5
68.05022	2.2
69.03436	5.2
69.07066	8.9
69.97151	1.8
70.06589	4.4
71.01345	1.5
71.04978	1.3
71.08624	2.2
72.04517	1.8
72.83025	0.6
74.06078	3.6
79.05492	8.7
80.05014	2.3
81.03424	1.8
81.07054	11.5
82.06564	5.1
83.04967	1.2
83.08618	6.1
84.04501	14.9
85.02903	4.6
85.10176	0.7
86.06062	78.6
87.06398	0.7
90.05537	1.5
91.05474	6.0
93.07035	6.6
94.06562	1.9
95.04961	4.9
95.08601	10.8
95.09202	0.7
96.04505	1.1
96.08118	2.1
97.06531	1.9
97.10171	3.7
98.06046	10.3
100.07621	5.0
102.05535	2.4
103.08678	0.8
105.07024	4.3
107.04939	0.6
107.08575	4.0
109.06512	0.8
109.10155	4.2
110.06040	4.6
111.08098	0.7
111.11729	1.2
112.07608	5.0
117.06963	1.1
119.08569	4.1
120.08111	1.1
121.06496	0.6
121.10154	3.9
123.11752	1.3
124.07597	1.6
126.05524	9.0
128.07068	32.8
131.08528	0.9
132.08228	0.6
133.10120	2.0
134.17880	0.6
135.08057	0.9
135.11690	2.5
138.05519	2.1
140.07069	4.7
142.08624	0.7
143.08127	1.3
145.09706	48.8
147.11676	0.6
149.13223	1.2
155.22511	0.6
156.06552	1.4
161.13257	0.9
163.14735	0.6
178.08652	1.1
231.21295	0.6
236.23904	0.5
243.21074	1.4
250.25348	1.3
261.22159	7.9
262.25305	2.2
263.23734	0.9
268.26285	0.7
279.23184	1.6
280.26309	13.3
281.26770	1.0
298.27368	15.3
299.27588	0.8
316.28674	11.0
328.26346	1.2
334.27292	1.3
346.27524	3.7
360.36783	0.6
363.29840	0.9
364.28400	15.2
381.31006	3.9
382.29434	3.0
399.32144	97.9
400.32498	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	399.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46455	1.2
55.05516	7.9
56.05034	4.9
57.03421	1.2
57.07070	4.3
60.04525	100.0
60.63083	1.1
67.05509	11.9
68.05029	2.8
69.03421	5.2
69.07063	11.2
69.97551	4.1
70.06591	4.1
71.01380	1.7
71.05003	1.4
71.08620	2.4
72.04514	3.3
74.06087	2.6
76.12798	1.1
79.05489	9.5
80.05020	3.1
81.03423	2.4
81.07056	11.8
82.06580	5.4
83.08626	4.9
84.04504	17.6
84.82372	1.4
85.02887	3.5
85.10175	1.3
86.06063	74.7
91.05472	6.2
91.72613	1.2
93.07041	5.5
94.06569	2.7
95.04973	5.2
95.08607	10.7
96.04510	1.6
97.10142	2.9
98.06051	11.3
100.07616	4.2
102.05543	2.4
105.07020	3.1
107.08611	3.5
109.10161	3.7
110.06071	3.6
112.07610	5.6
119.08578	1.5
121.10162	3.1
126.05497	7.6
128.07065	28.6
133.10150	1.7
135.11697	2.2
138.05472	1.3
140.07001	2.6
145.09714	49.6
147.11659	1.6
161.13379	1.4
164.42035	1.4
169.28773	1.4
197.51216	1.2
245.22707	1.4
261.22049	6.4
262.25128	2.5
279.23184	1.4
280.26376	10.5
298.27353	13.5
310.20410	1.5
316.28613	10.8
346.27353	3.1
364.28354	14.2
381.31100	2.6
382.29437	2.1
399.32156	87.9
400.27570	2.6
400.32602	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	400.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48285	0.7
55.01857	3.1
55.05507	3.4
56.05030	7.0
57.03435	6.3
58.06574	1.0
65.03922	1.3
66.47533	0.7
67.05504	6.6
68.04997	1.0
69.03413	0.9
69.07055	2.6
70.02950	0.6
70.06591	5.2
70.78047	1.1
71.04978	1.2
73.06418	4.3
74.06068	1.3
79.05488	3.9
80.05010	2.6
81.03417	1.1
81.07050	2.8
82.06590	3.6
83.01324	1.0
83.04987	1.5
85.02913	1.5
91.05490	7.9
91.55396	0.6
93.05785	0.8
93.07030	3.0
94.06561	13.2
95.04953	2.4
95.08599	3.0
96.04494	2.6
97.02889	0.9
97.06532	1.6
98.06061	1.6
102.05560	1.8
102.72283	0.7
105.07032	8.3
107.04952	2.8
107.08578	3.4
108.04500	3.5
108.08092	5.8
109.06502	2.2
109.10117	1.3
110.06034	5.4
112.08717	1.3
113.05998	2.2
116.53475	0.7
117.06985	2.3
119.08581	7.8
120.08883	0.8
121.06499	4.1
121.10152	3.0
122.06025	43.7
122.09697	0.8
123.06339	1.1
123.08096	4.0
124.07597	7.5
125.09646	1.4
126.05504	4.5
127.03938	0.7
128.06218	2.1
129.06984	3.2
129.08957	1.1
131.04921	1.9
131.08582	5.2
132.08075	0.8
133.06485	1.7
133.10110	4.7
134.06003	1.7
134.07172	0.9
134.09668	1.2
135.08040	3.0
135.59732	0.7
136.07574	12.5
136.11179	1.2
137.07924	0.8
137.09618	9.1
138.09105	1.4
140.07028	5.3
141.07027	2.5
142.07790	4.2
143.08556	8.1
145.06488	2.5
145.10118	4.7
146.07286	1.7
147.08043	5.4
147.11642	3.4
149.09595	3.0
150.05507	1.3
150.09134	2.2
151.11157	0.9
152.07089	1.7
153.06978	1.5
154.05000	1.1
155.08505	3.4
156.09314	4.5
157.10100	10.8
158.07275	1.4
158.10815	1.0
159.08086	6.4
159.11688	3.3
160.08817	2.5
161.09618	16.4
161.13245	2.1
162.09007	3.5
163.11191	2.2
164.07045	4.5
164.10713	14.4
165.06984	1.6
167.08592	2.3
168.06563	14.2
168.09335	1.2
169.10126	5.5
170.10896	2.9
171.08069	2.1
171.11682	12.5
172.08868	1.1
173.09607	11.4
173.13240	1.1
174.10345	1.5
175.11171	8.9
176.10637	1.6
177.12770	1.6
178.12067	1.0
179.08533	2.1
180.06538	0.9
180.10339	1.1
181.10146	3.4
182.08081	6.2
183.08052	2.0
183.11656	6.2
184.08868	1.5
184.12483	2.1
185.00790	1.0
185.09642	5.6
185.13239	6.9
186.10457	1.3
186.13885	1.3
187.07587	0.9
187.11200	5.2
187.14793	1.2
189.09079	3.0
189.12729	11.3
191.14310	1.6
192.10309	0.7
193.10165	1.0
194.10910	1.8
195.11714	3.3
196.12358	1.1
197.09637	2.9
197.13292	2.5
198.10435	3.4
199.11168	18.9
199.14755	5.7
200.11981	0.8
201.12747	2.5
202.12210	1.7
203.10634	3.8
203.14363	1.1
204.11443	1.5
207.11737	2.0
208.09636	0.9
209.09636	1.3
209.13242	5.1
210.07628	6.4
210.11374	4.4
210.13187	0.7
211.11211	2.6
211.14850	1.8
212.11958	2.7
213.12738	17.4
214.13556	23.5
215.10683	1.3
215.14214	4.8
217.12132	1.5
218.04413	1.6
218.11751	2.7
220.12424	1.3
223.11220	2.1
223.14807	1.8
225.12704	2.5
226.77925	0.8
227.10800	1.0
227.14279	20.9
228.13994	2.8
230.11642	5.7
233.15363	4.5
235.14696	1.0
236.11902	1.4
237.12698	1.4
237.16451	1.6
239.14305	1.7
240.14006	0.9
242.11737	1.0
245.15401	11.5
246.11246	0.9
247.14809	1.4
248.12820	3.1
249.16516	1.3
250.13858	1.1
251.14275	1.3
252.13911	0.7
253.15935	1.7
254.15382	2.1
255.13641	1.1
255.17459	0.9
256.13242	1.7
256.17056	1.0
258.14920	1.6
265.12140	0.7
265.13162	0.7
265.15854	5.2
266.15466	1.9
267.17444	1.2
270.14908	1.4
271.05978	0.8
274.14429	1.6
276.12259	3.4
280.13800	1.1
280.16992	4.5
282.14813	2.7
284.13428	0.7
284.16376	3.7
293.15320	2.5
294.15182	1.4
294.18506	3.5
298.17957	7.7
304.15515	1.3
308.16754	0.9
308.20132	3.3
312.15866	2.1
312.19373	1.0
316.15570	1.2
316.19244	1.0
318.18500	3.0
322.10913	1.6
326.14044	1.0
326.17529	2.6
328.15317	3.5
330.17068	2.7
336.15533	1.6
336.19562	30.1
337.19745	2.4
340.15393	1.1
340.19025	1.3
344.18460	5.8
345.18604	1.1
354.20615	24.5
354.25058	1.3
355.21057	1.3
364.18787	1.8
365.19415	0.9
372.21851	1.8
377.79135	0.8
382.14188	2.1
382.20056	24.6
382.24808	1.6
383.20328	1.9
400.21143	100.0
401.21555	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	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01868	2.8
55.05479	1.9
57.03433	26.8
61.02927	12.4
67.05502	2.3
69.03428	30.9
70.03547	4.7
70.03920	2.5
70.95987	2.0
71.01335	3.7
72.08158	6.2
73.02912	63.3
79.05477	2.9
81.03426	4.8
81.07070	4.1
85.02897	100.0
86.09718	3.0
87.04471	6.0
91.03957	6.6
93.07066	3.2
95.06076	3.0
97.02881	46.8
99.04443	4.6
107.06076	2.4
107.08627	2.2
109.02886	8.0
110.07188	15.1
114.10267	3.4
115.03921	33.2
127.03909	36.2
133.04956	11.0
145.04947	63.4
150.07571	4.2
163.03900	3.8
163.05998	31.9
223.06000	4.7
241.07176	3.6
246.24495	2.6
251.14890	5.8
259.08072	3.5
261.97235	1.9
269.09976	3.7
277.19061	2.9
285.42844	2.0
295.09976	3.5
368.21698	7.1
382.11542	4.5
400.12845	11.3
400.19949	3.0
400.24893	12.1
401.14081	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45321	1.2
50.85460	1.2
53.03939	1.9
55.05496	1.9
57.03440	9.3
57.69605	1.3
61.02913	2.8
63.47660	1.0
69.03436	10.5
70.06588	28.7
71.04993	69.8
72.05332	1.4
73.02908	7.6
75.04474	2.3
79.05487	2.1
81.03418	1.7
83.04980	10.2
84.04483	1.3
85.02905	100.0
86.06059	9.9
87.04472	2.1
88.07626	4.3
91.03961	2.1
91.05466	1.4
92.16272	1.1
97.02895	9.9
99.04475	2.4
101.06028	2.4
107.08591	5.3
109.02842	3.8
111.04456	6.1
113.56719	1.5
115.03899	3.2
117.05739	1.9
127.03921	10.3
129.04561	2.4
129.05479	28.7
132.08087	8.8
133.04907	1.5
133.08450	3.5
134.08708	2.3
145.04965	18.1
147.06519	4.4
147.74548	1.0
150.09108	3.9
151.09483	1.8
153.09108	27.1
154.09525	1.7
163.06013	8.2
163.41548	1.3
171.24106	1.1
207.89075	1.1
238.14288	7.1
240.15984	4.9
248.11272	17.2
255.08775	1.3
309.11761	1.7
340.14413	1.3
387.53998	1.2
400.19574	3.4
404.57782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.7
55.05503	5.9
57.03436	9.8
67.05509	5.0
69.03430	5.4
69.07063	4.4
70.06583	9.1
71.04974	7.1
71.43065	3.0
72.08151	5.6
73.06425	20.0
76.23922	2.9
79.05492	5.7
81.03394	4.8
81.07059	7.1
83.04981	7.8
83.08610	3.6
85.02902	7.8
91.05483	5.4
93.07050	7.8
95.04946	3.5
95.08601	12.0
97.02840	3.3
97.06518	5.5
99.04444	28.5
105.07034	14.5
107.08624	13.5
109.02864	4.6
109.06526	5.8
109.10152	5.8
110.09643	3.3
111.04443	11.9
112.08758	4.6
113.02347	6.3
119.08572	27.2
121.10134	36.9
122.06020	3.5
123.08013	6.1
123.11703	3.7
125.05991	11.4
127.03899	13.5
129.08977	6.4
130.09785	3.9
131.04942	3.4
133.10149	13.1
135.08057	2.9
135.11691	12.1
137.02354	6.3
137.09628	5.3
138.90897	2.8
143.07133	4.0
143.08543	3.7
144.09389	3.1
145.10129	10.2
147.11661	9.9
149.09668	3.2
149.13260	3.5
151.07541	3.9
153.05527	3.8
155.03360	4.3
157.10141	9.7
159.07970	4.3
159.11693	10.5
161.09642	4.1
163.11206	15.1
169.10150	5.5
170.10767	3.5
171.06575	9.3
171.11777	7.8
173.04465	5.4
173.13249	8.6
175.11108	3.1
175.14819	20.6
177.12704	5.4
183.11740	4.5
185.00879	4.1
185.09567	3.6
185.13290	3.8
187.11107	3.8
187.14848	5.7
189.12723	3.2
193.15904	25.8
197.08035	15.2
197.13208	8.8
201.12700	7.5
202.13571	3.3
204.88797	3.1
209.00069	2.8
209.13298	7.2
211.14713	7.7
213.12590	4.4
215.14320	13.8
218.04471	6.7
225.07573	4.5
239.14279	5.3
245.15384	3.3
247.17070	3.3
255.13795	4.1
265.18164	5.4
271.06104	3.9
273.14819	6.1
283.16943	8.5
291.16028	8.6
293.15472	4.2
301.17990	9.5
311.16235	4.7
311.42642	3.2
314.92966	3.3
319.19031	8.0
322.10791	5.5
329.17374	12.6
347.18503	100.0
348.19012	6.2
365.19547	58.8
366.19788	3.1
369.16574	10.5
382.13831	9.4
383.20786	21.0
400.11002	6.3
400.15872	4.5
400.23450	8.6
401.19315	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	400.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01860	9.2
55.05512	7.7
57.03434	20.9
59.63417	3.0
59.83389	2.5
65.03949	5.1
67.05498	7.0
69.03421	6.1
69.07048	12.9
70.06612	6.7
71.04992	10.9
72.08147	7.5
73.06422	10.8
79.05480	5.5
80.98497	3.1
81.03410	13.9
81.07047	16.2
82.07414	3.7
83.04987	5.5
83.08607	2.7
85.02914	3.9
91.05497	10.1
93.07070	14.1
95.04974	6.5
95.08595	20.1
97.06551	5.5
99.04455	55.9
105.07027	17.3
107.04958	2.8
107.08581	16.4
109.02881	16.7
109.06516	5.9
109.10184	5.0
111.04442	6.3
112.08688	3.1
113.06006	3.8
117.06999	3.8
119.08553	23.1
121.06484	3.8
121.10146	45.9
123.08071	7.6
123.11685	8.1
124.12022	2.7
125.06010	11.0
127.03914	26.7
129.07031	3.9
129.08980	3.9
131.08580	7.8
133.06514	3.3
133.10127	21.8
135.04466	2.9
135.08069	5.1
135.11696	12.5
137.02347	9.4
137.09602	10.1
143.08623	3.9
145.10126	17.0
147.08047	3.5
147.11693	7.9
149.09628	6.7
149.13274	4.1
151.07558	7.6
151.11208	4.4
152.11528	4.1
153.12770	8.8
155.03458	3.7
155.08548	5.7
157.10152	14.1
159.11723	16.4
161.09612	4.0
163.11165	42.3
166.68550	2.7
169.10132	6.0
171.11710	9.8
173.09624	2.9
173.13231	13.8
174.13841	3.1
175.11203	4.4
175.14845	19.9
177.09036	2.9
177.12724	6.2
181.10019	4.7
182.11014	3.3
183.11562	5.5
185.13298	4.7
191.14330	8.4
193.15903	21.2
194.10861	3.4
195.11719	6.5
197.08087	13.5
197.13246	11.0
198.77898	2.8
199.14771	6.6
201.12727	10.1
202.13327	2.9
203.14389	7.1
206.25713	2.8
209.13293	8.6
211.14926	4.9
213.09039	4.1
213.12666	5.3
215.14224	8.5
217.15833	3.2
218.04465	6.3
219.13835	10.1
221.15350	6.6
227.14282	4.9
231.13828	3.2
237.14841	9.9
239.14302	3.3
241.12259	2.9
243.13812	3.0
245.15346	11.3
255.13908	9.8
263.16336	4.1
269.15372	7.0
271.13239	2.9
273.14832	10.3
273.17975	2.9
279.88922	2.9
283.17184	3.8
291.15982	7.6
301.17963	8.6
303.16074	2.9
311.16217	5.1
319.18973	15.4
322.10858	3.5
329.17386	14.0
337.20074	74.3
338.20169	5.2
347.18494	44.0
365.15073	2.8
365.19534	83.6
366.19901	6.8
382.13794	7.6
383.20590	100.0
384.20923	8.8
400.10989	3.3
400.16196	3.1
400.22940	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	400.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06260	3.9
53.03942	3.6
54.58104	3.6
55.01868	4.4
55.05502	12.6
57.03440	20.4
65.97294	3.1
67.05495	10.3
68.36970	3.2
69.03422	10.0
69.07066	24.9
70.69049	5.6
71.01317	5.1
71.04993	6.4
72.08144	6.5
73.06429	3.6
79.05492	9.8
81.03420	12.2
81.07048	20.6
82.07361	3.6
83.04948	7.4
83.08620	9.2
85.02911	11.7
90.44997	3.4
91.05480	4.9
91.57222	3.5
93.07042	8.5
95.08596	16.9
97.02880	9.8
97.06535	7.5
99.04445	16.4
100.52142	3.6
105.07019	12.4
107.08575	13.7
109.02859	10.1
109.06470	4.5
109.10140	5.7
111.04443	3.8
117.18060	3.7
119.08591	18.4
121.10136	15.5
123.11709	6.5
125.09649	4.8
127.03902	32.3
131.08543	11.2
133.10136	11.4
134.06073	3.9
135.08047	6.7
135.11693	8.5
137.05916	4.5
143.08510	5.4
145.10138	11.8
147.11656	4.1
149.09613	10.7
149.13263	5.2
151.11166	8.1
157.10115	11.1
159.08073	5.5
159.11717	13.3
161.09586	4.5
161.13290	4.3
163.11162	41.2
169.10095	11.6
171.11662	11.6
173.09593	3.8
173.13260	14.9
175.11217	4.9
175.14845	7.3
177.12712	8.1
185.09586	7.9
185.13307	9.2
187.11066	5.1
187.14844	4.9
189.12738	5.1
191.14247	17.0
193.97002	3.4
197.08115	4.0
197.13298	10.4
199.11200	4.6
199.14783	7.7
201.12698	6.7
203.14281	10.6
211.14822	4.9
213.12660	4.4
215.10594	4.5
215.14349	6.3
219.13713	4.7
221.15359	19.0
225.12636	3.6
227.14272	7.2
229.15884	4.3
237.14799	16.5
243.13803	13.1
245.11749	4.2
245.15416	11.3
251.16406	10.8
255.13741	7.3
261.14871	6.6
265.17978	5.5
269.15295	6.6
273.14880	18.2
279.15842	4.9
291.15900	9.5
301.17758	5.6
309.20557	5.7
311.16296	9.4
319.18997	22.2
323.18326	4.6
329.17505	12.8
337.16571	3.2
337.20059	91.5
338.20590	5.1
347.18506	42.3
356.08368	9.7
365.19559	100.0
382.22324	3.9
383.20624	65.3
400.10858	5.5
400.22849	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	401.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19793	1.3
54.57087	1.2
64.92429	1.3
66.19855	1.1
69.54262	5.0
113.45404	1.1
126.45481	1.3
395.38751	1.2
401.08441	100.0
402.08774	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	401.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57193	2.5
71.04991	3.8
72.05274	2.9
73.02915	4.5
115.03919	2.5
126.01060	9.4
127.03902	2.5
134.05125	2.3
148.41692	2.6
149.05817	2.5
163.30057	2.4
175.09666	3.0
196.06404	3.4
211.07484	17.4
233.10233	2.9
235.10406	2.9
238.99823	3.2
240.10039	4.0
311.88953	2.5
341.53079	2.7
395.77405	2.7
401.08432	100.0
401.14102	14.7
402.09534	4.5
402.15335	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	401.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13636	1.5
70.06583	5.3
71.04987	2.7
71.42100	1.6
75.53005	1.3
85.02909	1.6
95.80786	1.4
106.07052	1.7
116.21334	1.4
130.04927	1.3
157.94070	1.5
160.95528	1.3
203.05267	2.6
228.42671	1.6
310.18631	1.9
339.17773	14.4
401.12131	100.0
401.17825	10.2
402.12521	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	401.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07106	0.5
56.28729	0.5
58.02681	0.4
70.04150	0.5
70.04485	1.5
70.06574	1.4
72.08171	0.6
80.29094	0.5
86.09699	1.3
101.17105	0.5
157.65114	0.6
177.90723	0.5
203.05258	7.7
203.06847	2.5
221.07826	18.6
222.08318	0.8
239.08940	0.9
273.61432	0.5
279.30524	0.5
281.37231	0.5
383.13141	0.8
385.44000	0.6
401.14154	100.0
402.14456	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	401.1417
Annotation	URB447
Peak:m/z	Relative Intensity
53.73208	0.4
55.78321	0.4
56.03208	0.4
62.43256	0.4
65.96272	0.3
69.28723	2.4
88.31950	0.4
91.47106	0.4
91.57886	0.3
95.04937	0.5
97.02908	0.6
98.22697	0.7
131.04898	1.1
149.05988	0.5
189.10002	0.5
203.05270	9.3
203.06871	2.7
221.07837	18.6
234.98988	0.4
237.51472	0.4
239.08873	0.4
250.73999	0.4
322.00540	0.5
383.13113	0.7
401.14160	100.0
402.14606	6.7
407.49704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55708	0.4
65.59506	0.5
67.05503	0.5
68.99789	0.5
69.19360	3.2
70.44248	0.5
71.53696	0.5
79.05494	0.8
81.07051	0.5
83.04969	0.7
85.02908	1.2
86.09718	0.9
86.10311	0.4
88.47604	0.5
93.07023	0.6
95.08600	0.5
97.02861	0.5
98.23457	0.9
105.07033	0.5
119.08600	1.0
121.02851	0.7
123.04381	1.3
143.08562	0.5
145.10088	0.6
146.01154	0.5
153.08858	2.1
181.05074	0.5
187.07431	0.6
227.05368	1.2
271.04208	1.4
297.13132	0.9
304.02396	0.6
315.14084	9.8
357.15167	54.9
358.15384	3.0
401.14136	100.0
402.14502	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	401.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03948	4.7
55.01868	4.2
55.05507	1.5
57.03429	2.2
58.95186	0.5
61.02928	4.2
62.44352	0.5
65.03934	2.9
67.05502	19.9
68.99792	4.4
69.03425	14.2
69.07082	0.6
71.04989	2.4
73.02909	0.8
77.03941	0.9
79.05038	1.2
79.05489	19.1
81.03049	0.6
81.03414	35.2
81.07053	60.7
82.07384	1.2
83.05001	0.8
85.02905	13.9
87.00817	8.6
91.05477	19.0
93.07041	81.8
94.07377	1.3
95.04971	4.9
95.08573	0.9
97.02893	8.8
97.06560	1.1
99.04450	6.7
103.03969	0.7
105.01860	4.5
105.04484	2.0
105.07024	7.1
107.04944	1.7
107.08588	35.8
108.08973	0.9
109.02872	17.6
109.06512	41.4
109.10152	25.3
110.06821	1.0
111.04428	2.0
111.08096	4.9
115.03951	0.6
115.05446	2.1
117.07001	5.8
119.04953	2.6
119.06078	1.5
119.08585	2.6
120.05724	3.1
121.06523	0.9
123.08115	1.0
125.05981	4.8
125.09628	2.0
127.03911	20.8
129.01834	3.8
129.06992	0.8
131.08582	1.6
133.06477	1.5
135.08046	100.0
136.08353	1.7
143.08626	0.9
145.04971	3.5
147.02884	2.0
147.04480	0.5
147.08038	6.6
151.07578	1.5
153.01796	0.6
153.09094	89.2
154.09412	2.6
159.02890	2.1
159.08034	0.7
169.10114	0.7
171.10213	1.1
173.04393	0.7
177.09088	1.3
189.09038	3.2
197.09650	0.7
213.03943	0.7
215.10698	1.2
225.09004	1.1
231.04916	2.9
233.11804	0.6
241.93460	0.5
243.10178	0.9
277.05402	0.6
338.01511	0.5
357.11853	0.9
374.37140	0.8
383.13571	1.2
395.78888	0.5
401.14856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83533	1.6
91.80609	1.5
109.07882	1.4
219.20076	1.9
221.76456	1.8
271.04303	2.1
315.17816	1.9
357.18771	18.9
401.17780	100.0
402.18201	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66716	1.7
53.03939	7.8
55.01863	18.5
55.05500	10.5
57.03431	7.6
57.07070	3.4
57.12138	1.9
61.02915	6.0
65.03942	4.9
66.58944	1.7
67.05501	28.9
68.99787	9.1
69.03430	37.4
69.07057	7.2
69.38776	3.9
69.39183	7.9
71.01354	2.7
71.04998	9.8
72.08163	2.5
73.02913	4.5
79.05492	33.2
81.03414	46.1
81.07055	81.4
82.07401	2.4
83.04980	15.1
83.08624	3.3
85.02902	32.8
85.06545	8.6
87.00831	22.3
91.05479	27.7
93.07038	40.5
95.01311	6.6
95.04959	35.8
95.08621	14.6
97.02869	18.9
97.06524	10.3
98.23476	2.9
99.04458	13.8
101.06038	3.5
103.03945	11.0
105.01871	9.7
105.04510	3.2
105.07026	47.3
107.04964	8.1
107.08593	37.3
109.02873	9.4
109.06514	40.8
109.10168	16.4
111.04442	8.8
111.08054	4.1
113.05984	6.0
114.91501	2.0
115.03948	5.3
115.05471	3.7
117.01835	2.6
117.07019	12.7
119.04936	2.8
119.06047	2.2
119.08578	73.7
120.08901	2.5
121.02868	5.3
121.06522	11.3
121.10143	25.1
123.04427	100.0
123.08053	7.7
123.11688	5.9
125.05989	8.8
127.03922	8.6
128.06215	3.3
129.01862	12.0
129.05482	5.9
129.07008	7.5
131.08554	13.4
133.06508	7.2
133.10147	16.2
135.08055	7.5
135.11688	21.8
137.05974	3.2
137.09587	10.6
139.11278	2.4
141.05469	13.4
141.06982	3.2
142.07790	10.2
143.08563	13.2
145.06491	3.7
145.10100	33.8
147.02864	6.0
147.08055	6.5
147.11685	14.6
149.05995	5.7
149.09619	3.7
149.13261	2.1
151.07529	23.9
151.11171	10.2
153.12753	4.5
155.07123	3.7
155.08559	7.3
156.09377	2.1
157.10149	19.0
159.02892	7.3
159.08026	4.2
159.11705	23.8
161.06017	2.8
163.07478	2.7
163.11194	9.4
165.09105	2.3
165.12810	3.0
167.07050	6.0
168.09341	4.0
169.08763	2.4
169.10046	9.7
171.02840	2.8
171.11694	8.7
173.09645	4.6
173.13376	3.5
175.11133	12.7
177.12788	7.9
179.07022	14.2
181.10216	3.0
183.11722	7.5
185.09616	3.3
187.11211	3.7
189.03963	7.8
189.12776	5.1
192.09410	2.6
193.08670	2.1
193.12277	3.2
197.08067	10.9
197.13278	9.0
199.11168	2.7
201.12711	10.4
203.10596	2.4
207.11734	4.0
215.09111	3.2
215.14241	6.0
219.04791	2.1
219.13846	4.6
225.12740	14.7
228.17520	2.3
243.13799	17.3
255.08911	2.9
261.14822	10.5
275.96606	2.2
279.15857	2.3
301.09378	2.7
315.17584	2.1
347.14566	3.6
355.11725	4.5
358.60861	2.2
365.15857	4.9
383.17245	9.3
401.12280	11.7
401.17557	2.7
402.18954	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.5
55.01865	19.5
55.05502	26.6
57.03440	15.9
57.07062	6.5
57.87758	2.9
59.04996	3.2
61.02927	14.5
63.22216	3.0
65.03941	2.9
67.05507	22.7
68.99788	20.5
69.03420	72.2
69.07068	41.1
70.06583	4.5
71.04992	15.7
73.02906	10.0
73.06429	6.0
79.05489	25.8
81.03412	63.1
81.07054	72.1
83.04971	10.3
83.08611	17.5
85.02406	6.2
85.02903	100.0
85.06535	6.4
86.09721	5.0
87.00824	51.4
91.05476	26.8
92.92751	3.0
93.07039	56.4
95.01345	3.4
95.04971	21.3
95.08597	36.8
97.02893	54.4
97.06523	39.0
99.04460	29.8
103.03942	6.3
105.01858	29.7
105.07027	31.9
107.04948	7.6
107.08590	48.5
109.02879	42.8
109.06515	20.5
109.10152	20.0
111.04451	8.2
111.08080	5.6
113.05999	3.1
115.03910	7.0
117.01818	5.1
117.07008	6.3
119.08576	31.5
120.34801	2.7
121.06505	9.0
121.10131	12.6
123.04428	46.1
123.08069	13.1
123.11689	9.5
124.39587	2.9
125.05928	3.3
127.03026	5.6
127.03910	74.3
129.01822	23.2
129.06944	4.9
130.07753	3.2
131.08542	13.2
133.10129	20.3
135.08020	7.3
135.11691	38.5
137.09599	6.3
137.13255	3.5
139.07503	4.8
141.05437	5.1
142.07755	3.9
143.08540	6.2
145.04951	25.4
145.06516	3.5
145.10097	20.3
147.02859	9.7
147.08046	7.9
147.11664	12.0
149.13243	3.3
151.07518	10.5
151.11183	11.2
153.12743	41.0
155.08545	5.0
156.09412	2.9
157.10124	12.3
159.02867	21.8
159.08076	5.0
159.10483	4.4
159.11731	11.2
161.09602	5.0
161.13319	4.8
163.07539	4.5
163.11171	10.3
165.12779	9.2
167.07101	5.3
171.11656	5.9
173.13281	5.9
175.11211	7.0
177.12711	6.0
179.07018	5.2
189.12822	5.2
193.12283	3.3
197.13297	6.1
201.12700	4.9
204.10124	20.0
207.02606	3.0
213.03915	5.2
215.14291	5.5
219.13823	6.2
225.12846	3.9
231.04962	8.6
243.13815	13.4
261.14957	16.2
347.14975	4.9
385.97351	3.5
401.17792	4.2
402.15335	13.2
402.19873	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.7
55.01875	13.9
55.05505	24.9
57.03427	15.6
58.29316	4.5
60.39386	4.4
61.02921	19.2
67.05501	17.2
68.99799	16.8
69.03423	55.5
69.07058	34.6
69.34945	30.4
70.06580	5.4
71.04984	14.0
73.02921	10.2
79.05498	18.7
81.03414	56.3
81.07047	54.8
83.04990	6.1
83.08626	7.7
83.64272	4.8
85.02898	100.0
85.06562	4.9
86.09714	5.3
87.00832	41.3
91.05479	18.2
93.07037	34.0
95.04980	14.9
95.08611	41.1
97.02885	52.9
97.06538	32.6
99.04443	24.7
105.01849	31.5
105.07039	26.7
107.04967	5.6
107.08596	51.4
109.02886	39.3
109.06529	12.6
109.10172	15.2
111.08072	6.9
115.03902	6.6
117.06973	5.4
119.08569	33.7
121.10128	11.7
123.04433	28.5
123.08076	6.3
123.11668	7.4
127.03910	76.6
129.01854	14.7
131.08542	7.9
133.10118	5.8
135.11693	39.4
137.09595	6.6
143.08580	6.6
145.04987	22.3
145.10179	9.3
147.02838	9.4
147.08046	6.3
147.11685	5.7
151.07509	7.2
151.11264	5.8
153.01828	5.3
153.12743	33.0
159.02901	23.2
159.11694	9.9
161.09673	5.6
163.11157	9.4
165.12810	7.2
167.07100	5.1
177.12761	7.5
193.89804	5.5
200.14258	25.6
201.12642	6.7
213.03923	7.4
243.13794	14.2
261.14755	9.0
372.17972	15.9
402.18802	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	401.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88401	0.4
55.05490	0.5
57.46012	0.4
59.53950	0.4
67.05511	0.5
69.07082	0.5
79.05495	0.7
81.07037	0.9
82.94496	0.3
91.05466	0.7
93.07032	1.1
95.08616	0.8
97.06526	0.6
98.23514	0.9
105.07009	0.6
107.08587	1.2
119.08581	0.7
121.10182	0.9
123.07993	0.4
123.82578	0.4
129.07039	0.4
130.04971	0.6
131.08585	0.5
133.10124	1.1
135.11682	0.6
149.09647	0.4
157.10159	0.5
159.11823	0.4
175.14790	0.7
193.15912	1.3
203.26250	0.4
297.18265	7.2
341.20898	12.6
351.23257	0.7
357.20374	8.8
358.20557	0.5
401.22968	100.0
402.23380	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	401.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61845	0.4
55.01856	0.4
56.20000	0.4
57.03418	0.4
62.10169	0.4
67.05505	0.8
67.19665	0.4
69.03426	0.4
69.07067	0.9
69.90499	1.2
79.05495	3.0
81.07046	1.3
82.76236	0.3
83.04974	0.5
83.08619	0.4
89.65186	0.4
91.05467	1.0
93.06097	0.4
93.07041	1.6
95.04973	1.6
95.08642	1.9
97.06519	5.8
105.07021	2.0
107.04945	0.9
107.08596	1.6
109.10126	0.5
118.29504	0.3
119.08571	1.8
121.06316	0.6
121.10134	6.3
123.08060	1.1
123.11718	1.0
125.05993	1.8
131.08603	0.5
133.10127	1.2
135.11717	0.6
136.20569	0.4
137.05960	0.4
145.10146	1.0
147.11687	0.8
150.10490	0.5
159.08156	0.5
159.11694	0.6
169.10170	0.5
173.13170	0.5
175.14801	1.1
177.12766	0.5
180.07614	1.0
185.13264	0.5
193.15918	0.5
193.50154	0.4
199.14740	0.5
203.14325	0.8
297.22079	0.5
326.01624	0.4
341.20850	19.9
342.21317	0.7
401.22952	100.0
402.23325	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	401.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61248	1.2
58.22819	1.3
67.05502	2.1
68.48824	1.3
68.69125	1.2
79.05488	3.5
81.07063	11.2
92.77969	1.2
92.93556	1.3
95.08609	3.5
105.07037	2.4
107.43965	1.3
109.03875	1.1
109.06576	1.4
117.07028	1.3
119.08566	4.9
130.05008	2.0
131.08553	1.5
133.10127	1.9
145.10124	3.0
147.11668	11.3
151.07584	1.6
155.34732	1.2
157.10173	1.8
170.24300	1.3
173.13281	12.8
175.14824	2.9
181.89928	1.3
193.12268	5.5
215.14038	11.6
245.11771	1.3
252.09067	1.7
259.37726	1.4
260.13867	18.0
267.11243	2.0
292.12735	2.9
294.10086	3.4
309.12592	2.6
341.20847	100.0
342.21115	6.7
369.14291	2.1
401.17264	5.0
401.22961	85.9
402.23260	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	401.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89216	0.4
67.05494	0.7
71.06213	0.6
74.61600	0.4
79.05479	1.1
81.07065	2.7
83.08588	0.5
91.05473	0.9
93.07071	0.7
95.08609	0.5
98.97646	0.4
105.07034	1.6
107.08631	0.5
119.08577	1.9
121.10162	0.4
121.34053	0.4
131.08543	1.0
131.56586	0.4
132.93153	0.4
133.10106	0.7
143.08554	0.7
145.10115	0.6
147.11725	0.6
157.10083	0.6
159.11720	0.7
169.10104	0.4
173.13284	0.7
185.13246	1.0
197.13423	0.5
203.85204	0.5
213.12697	0.5
229.11977	0.5
231.13539	0.6
311.19974	1.1
341.20871	9.7
341.24863	0.8
342.21301	0.5
371.21964	2.4
382.76120	0.4
401.22961	100.0
402.23315	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	401.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61845	0.4
55.01856	0.4
56.20000	0.4
57.03418	0.4
62.10169	0.4
67.05505	0.8
67.19665	0.4
69.03426	0.4
69.07067	0.9
69.90499	1.2
79.05495	3.0
81.07046	1.3
82.76236	0.3
83.04974	0.5
83.08619	0.4
89.65186	0.4
91.05467	1.0
93.06097	0.4
93.07041	1.6
95.04973	1.6
95.08642	1.9
97.06519	5.8
105.07021	2.0
107.04945	0.9
107.08596	1.6
109.10126	0.5
118.29504	0.3
119.08571	1.8
121.06316	0.6
121.10134	6.3
123.08060	1.1
123.11718	1.0
125.05993	1.8
131.08603	0.5
133.10127	1.2
135.11717	0.6
136.20569	0.4
137.05960	0.4
145.10146	1.0
147.11687	0.8
150.10490	0.5
159.08156	0.5
159.11694	0.6
169.10170	0.5
173.13170	0.5
175.14801	1.1
177.12766	0.5
180.07614	1.0
185.13264	0.5
193.15918	0.5
193.50154	0.4
199.14740	0.5
203.14325	0.8
297.22079	0.5
326.01624	0.4
341.20850	19.9
342.21317	0.7
401.22952	100.0
402.23325	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	401.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.07101	0.7
63.89905	0.7
65.88052	0.6
67.05492	2.2
69.07050	1.4
71.43651	1.0
74.74755	0.7
79.05486	2.9
81.07050	6.8
83.01099	1.3
87.04470	0.8
91.05479	1.4
93.07057	1.5
95.08599	3.8
103.21037	0.7
105.07022	7.8
107.08588	2.4
109.10165	0.8
111.08642	0.7
119.08616	2.5
121.06491	1.0
121.10096	1.1
131.08568	3.0
133.10062	1.6
145.10144	2.3
147.11690	1.0
157.10106	1.6
159.11691	1.0
171.11600	0.9
173.13268	1.1
182.81763	0.8
213.17488	0.8
238.12383	0.8
277.19354	1.3
295.20367	0.8
313.21313	1.2
341.16742	1.7
341.20859	30.2
342.21274	2.2
394.35034	0.8
401.22971	100.0
402.23294	6.2
402.32068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.7
57.07074	12.3
61.00466	4.8
65.03963	6.0
67.05513	23.4
69.07069	16.4
69.32587	27.8
70.06589	9.4
71.04988	8.8
71.09959	4.4
72.40075	4.9
77.03925	6.2
79.05494	25.9
79.80493	4.7
79.91631	4.8
81.07057	39.6
83.08601	5.3
88.07619	12.9
88.39256	4.3
91.05480	59.1
93.07047	48.3
95.04964	10.4
95.08598	26.7
98.23515	9.4
100.03600	4.5
105.07020	100.0
107.08595	45.7
109.06520	69.0
109.10149	21.6
111.08090	5.9
115.66367	5.0
117.07011	27.5
119.08591	84.2
121.10142	27.6
123.08064	6.8
124.62668	4.5
128.06238	18.1
129.07007	19.1
130.05040	8.7
130.07799	11.8
131.04805	4.4
131.08585	68.5
133.10123	81.1
133.85625	5.0
135.08057	12.2
135.11690	26.5
137.09644	4.3
141.07011	11.0
142.07776	34.9
143.08566	35.4
144.09322	6.5
145.10110	94.0
147.08025	5.6
147.11720	17.7
153.07089	4.9
154.07701	7.8
155.08543	20.8
156.09325	19.1
157.10101	67.7
158.10887	13.6
159.11671	35.0
161.13251	5.1
165.10883	4.6
167.08577	11.5
168.09331	9.7
169.10143	26.6
170.10992	7.3
171.11676	33.8
173.13272	42.2
175.14838	17.5
179.08536	9.9
180.09462	8.3
181.10104	18.5
182.10783	8.6
183.11722	30.0
185.13245	12.0
187.14790	45.7
193.10170	13.7
194.10860	7.6
195.11734	23.0
197.13269	13.1
199.14857	20.1
201.12738	7.4
201.16473	6.7
206.11023	8.3
207.11731	16.9
209.13274	19.0
211.14841	14.3
213.12820	6.3
217.89113	5.1
221.13194	14.2
223.14793	12.9
234.03986	5.3
234.13939	7.9
235.14937	6.7
249.16341	5.1
251.17819	9.9
261.16248	6.7
265.19519	10.4
272.67068	5.5
289.28079	6.2
372.14294	6.5
373.14557	5.7
384.10623	6.1
385.14584	7.9
400.37814	9.3
401.13776	38.6
401.18448	50.9
401.28278	43.0
401.38129	15.6
402.14594	16.2
402.19064	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	401.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05507	7.9
56.05031	8.2
57.03423	1.5
57.07077	6.2
58.06607	0.9
60.04524	100.0
66.46045	0.7
67.05500	9.6
68.05017	1.5
69.03434	5.6
69.07067	7.2
69.66901	1.7
69.67290	1.8
70.06590	6.8
71.04991	2.1
71.08628	3.9
72.04510	1.5
73.15863	0.8
74.06078	3.5
79.05488	5.2
80.05017	1.6
81.03416	4.1
81.07053	10.4
82.06576	6.2
83.04977	2.1
83.08602	5.3
84.04504	16.2
85.02903	3.6
85.10179	1.7
86.06062	79.0
91.05482	1.3
93.07040	5.1
94.06583	2.2
94.07365	0.7
95.04969	6.4
95.08609	8.3
96.04484	1.0
96.08123	1.4
97.06539	2.3
97.10167	4.0
98.06052	13.1
98.23402	1.0
100.07616	5.2
102.05508	1.4
103.08684	0.9
105.04486	0.8
105.07004	1.0
107.08566	1.8
109.10152	3.2
110.06012	3.9
111.11702	1.0
112.07584	2.4
112.48447	0.8
121.10135	1.8
124.07581	2.2
126.05524	8.8
128.07069	32.0
129.07425	1.1
133.10141	1.1
135.11717	1.7
140.07025	1.9
143.08174	1.3
145.09714	46.5
146.08183	1.6
146.10077	1.4
150.09164	1.6
199.13820	0.8
216.64604	0.9
229.72365	0.8
234.01984	0.8
252.26927	2.1
254.28516	1.4
263.23691	5.9
264.26654	3.9
265.25256	1.9
270.27942	2.7
281.24744	1.7
282.27875	15.1
283.28400	1.1
290.75735	0.8
294.30432	1.0
300.28973	19.4
301.28918	0.9
318.30295	11.0
320.29404	1.1
336.28940	2.4
337.08453	0.9
348.28952	11.6
366.30014	20.3
367.30405	1.6
383.32837	4.0
384.30771	3.6
401.33759	89.3
402.34122	6.9
428.62683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03175	2.0
57.03437	17.8
61.02918	6.0
69.03429	20.3
71.01368	2.0
71.04952	1.2
71.31443	1.4
73.02917	42.9
73.06555	100.0
80.73117	1.0
81.03424	2.9
84.05625	1.0
85.02908	37.3
87.04468	1.2
91.07591	17.2
97.02892	38.9
109.02914	2.7
115.03932	26.9
126.01056	5.1
127.03918	13.1
133.04967	9.2
145.04962	14.3
162.07658	1.2
163.06001	5.7
179.10545	1.1
187.09680	1.6
194.04816	1.2
196.06342	1.4
207.06392	2.1
211.07492	8.1
223.05986	2.4
240.10127	3.4
241.07051	3.9
253.12874	4.3
259.08173	3.9
295.10211	2.5
312.12619	1.1
385.10950	2.9
402.09601	1.9
402.15182	10.6
403.12265	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	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	27.2
57.03420	20.4
67.05501	32.5
69.07066	47.8
69.76064	15.1
69.76439	16.4
79.05486	38.9
81.07053	50.2
83.08606	12.9
91.05449	22.5
93.07034	36.9
95.08579	22.1
97.06530	9.7
97.10176	15.8
105.07027	24.9
107.04957	12.4
107.08559	43.8
109.10173	12.7
117.07035	16.4
119.08556	22.4
125.09595	21.9
125.46142	8.6
131.08511	17.4
135.08037	8.9
135.11674	13.0
139.17296	8.4
145.10107	14.5
149.09531	10.7
152.92409	8.5
159.11708	10.0
163.11176	14.0
171.10159	11.0
173.13127	8.8
189.11147	16.2
197.13297	9.2
213.79431	9.5
224.06953	8.2
227.12808	22.2
235.14803	10.2
245.13782	20.1
253.17986	10.6
255.15788	10.7
269.17456	32.5
275.19992	30.9
286.20169	28.4
327.08771	11.9
343.18951	12.7
349.23639	25.2
373.09103	59.4
403.13821	100.0
403.18933	10.4
403.20279	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	402.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
56.96569	1.0
57.06867	0.7
57.07080	8.1
58.06596	2.5
61.59350	1.0
69.07063	1.0
69.23443	5.6
70.06588	19.7
70.06945	1.7
71.08630	2.9
78.39275	0.9
85.62467	0.9
88.07624	23.4
91.05492	1.0
98.13560	0.9
102.09171	14.2
125.22568	1.0
127.03925	0.9
132.10193	1.9
151.15138	0.8
183.02939	2.3
211.02495	2.4
296.32922	1.7
327.08688	1.8
330.07425	1.6
340.35715	45.0
341.36078	3.4
355.08179	1.5
357.93481	1.0
358.07047	1.3
360.19540	1.6
373.09180	13.8
384.38483	2.9
388.11304	1.2
402.20444	1.5
402.39389	100.0
403.13879	15.3
403.39752	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	403.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61638	5.8
98.23439	1.6
104.93193	1.4
124.20804	1.3
138.14645	1.3
204.28903	1.5
233.89406	1.4
241.03833	1.5
324.01575	1.4
403.09982	100.0
404.10468	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10876	1.6
67.07863	1.8
70.68678	5.1
74.06406	1.8
86.03889	1.7
90.49574	1.7
115.04487	2.2
125.49017	2.0
129.96855	2.3
264.69543	2.0
282.80060	2.5
291.40640	2.0
294.42624	2.4
323.17059	1.9
333.41318	1.9
334.45993	1.9
403.09991	100.0
403.15198	5.6
404.10599	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	403.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03297	2.2
56.83131	2.2
56.96562	2.3
59.65327	2.4
70.06574	5.5
71.42025	2.1
81.35824	2.8
83.89033	2.4
85.02926	3.2
92.77025	2.6
95.06137	3.5
97.02875	3.0
98.97577	5.5
107.04938	2.5
110.06049	14.4
111.52598	2.3
116.98599	5.4
121.06473	2.6
125.07076	2.7
128.94247	2.4
147.04282	2.2
177.01010	2.9
179.00758	2.6
192.68959	2.5
203.00618	3.0
219.01912	6.3
221.01768	4.8
229.00372	2.6
235.03302	7.1
258.99728	3.7
260.99774	3.1
261.03152	3.9
277.00818	3.6
279.00476	4.6
282.99969	3.4
283.06619	2.4
284.99741	4.2
301.00937	7.1
320.95645	3.2
361.02975	4.7
377.55948	2.5
398.98099	2.8
403.02161	3.9
403.09933	100.0
404.10248	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65216	0.6
51.55325	0.6
53.03941	10.7
55.01649	0.8
55.01868	7.7
55.05511	5.6
57.03433	5.8
59.05008	1.2
61.02931	5.3
61.65393	0.7
62.72173	0.7
63.38306	0.7
65.03939	1.4
65.08022	0.6
67.05500	48.3
68.05825	0.7
68.99789	8.2
69.03423	45.3
69.07056	2.9
69.43238	1.1
69.43630	2.2
71.04989	24.2
75.55749	0.7
79.05478	3.6
81.03412	49.3
81.07050	7.3
82.03779	1.0
83.01335	1.2
83.04966	1.3
85.02897	35.9
85.06537	1.7
87.00822	14.6
90.86159	0.7
91.05478	15.3
93.07037	15.9
95.04968	5.1
95.08601	47.3
96.08994	0.7
97.02888	17.6
97.03493	1.5
98.22678	1.4
99.04446	15.8
101.05985	0.9
105.01843	3.2
107.08569	1.6
109.02871	51.2
109.05830	0.7
109.06499	1.9
109.10143	46.9
110.10439	1.2
111.04493	0.7
111.08082	11.0
113.05975	1.6
113.09666	0.7
119.08563	16.1
120.08898	0.7
127.03906	100.0
128.04254	1.8
129.01848	6.1
137.09601	32.6
138.09918	0.7
138.31384	0.7
139.03806	0.8
145.04872	1.2
147.02846	3.7
155.10652	39.3
156.11032	1.3
173.11856	0.9
195.07364	0.7
213.03903	7.1
231.04999	14.4
263.12759	2.2
281.13531	0.8
290.33243	0.8
323.14902	0.9
341.16083	1.3
385.14859	1.8
403.15250	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27190	1.1
55.01871	7.4
55.05502	6.8
57.03432	1.9
66.31097	1.2
66.34353	1.2
67.05499	17.2
67.17403	1.0
68.08372	1.1
69.03425	2.7
69.07061	8.4
70.04111	2.7
70.04499	2.7
71.04977	2.9
73.02900	1.4
79.05482	10.7
81.03383	2.0
81.07050	48.0
82.07398	1.3
83.01335	2.8
83.04972	3.5
83.08619	4.5
85.06568	1.8
86.09697	2.4
87.04477	1.2
91.05467	14.4
91.99855	1.3
93.07032	7.8
95.04954	2.8
95.08610	10.0
97.06524	4.4
98.23371	1.5
101.02386	1.8
102.86838	1.3
105.07029	23.0
107.08554	7.5
109.06493	2.7
116.10738	1.4
119.08572	15.7
120.08064	2.5
121.10154	12.8
123.08075	3.7
123.11709	18.2
123.12556	2.1
127.07542	1.6
129.01846	1.9
133.10098	1.6
137.13248	1.7
145.10121	1.5
147.11673	47.4
148.12036	1.8
157.10133	2.1
165.12740	32.5
165.26300	1.2
166.13101	1.8
183.13826	4.8
193.12251	2.6
229.14240	7.1
249.12453	2.3
339.14447	10.9
357.16251	2.9
368.21484	2.1
385.15680	6.4
403.17273	100.0
404.17822	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	403.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05516	0.3
57.74043	0.3
67.05492	0.4
71.43000	0.3
79.05495	0.3
91.05463	0.4
93.07042	0.3
105.07017	0.4
108.04528	0.5
154.04984	0.5
171.11771	0.4
180.76862	0.3
182.55011	0.3
196.06129	0.3
213.12695	0.3
217.08394	0.3
257.15283	0.5
299.16666	0.3
323.16321	0.8
333.13516	0.4
340.96994	0.3
341.17191	0.4
357.16614	2.5
359.14609	0.8
368.18549	0.4
375.12424	0.3
385.16110	2.2
386.19751	0.4
392.82745	0.3
403.17255	100.0
404.17529	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	403.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05084	0.4
51.44412	0.4
98.23512	0.9
213.10475	0.4
227.08159	0.7
241.06068	0.5
241.09691	0.9
255.11290	0.8
269.09222	0.9
273.14606	0.8
283.10889	1.2
311.10300	0.8
323.16153	0.8
343.12982	2.8
367.15036	0.4
371.12396	2.3
385.16299	2.1
403.17267	100.0
404.17581	7.6
417.31332	0.4
422.38629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84626	1.6
51.43088	1.6
51.51702	1.6
65.96031	2.0
66.70788	1.9
69.16017	12.5
84.39487	1.9
102.46954	1.7
116.98615	2.8
183.02911	3.8
211.02419	2.1
215.32066	1.7
273.22546	2.2
286.87589	1.8
301.40161	1.9
311.83249	1.8
330.07202	2.1
355.07733	2.3
358.06543	2.7
361.97592	1.8
373.09259	24.6
374.09988	1.8
388.11362	4.7
403.14227	24.2
403.22415	100.0
404.14285	2.7
404.22495	6.4
415.75653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57907	0.5
55.05510	0.7
67.05481	1.0
69.07052	0.9
79.05489	1.1
81.07050	3.5
91.05511	0.6
93.07063	1.6
95.08602	1.5
97.06554	0.8
107.08598	1.7
107.29391	0.5
121.10152	3.1
123.11676	0.8
126.55461	0.6
129.01878	1.0
131.04950	1.4
137.13228	1.0
141.47290	0.5
150.64046	0.5
157.01169	0.5
163.07585	0.5
173.13278	0.6
175.07489	1.3
177.16388	0.9
183.02875	0.9
185.52655	0.6
187.37735	0.5
211.02396	1.1
256.26385	1.7
327.08627	0.7
343.22403	26.7
344.22766	3.1
345.69775	0.6
355.07986	0.7
358.06958	0.7
373.09192	10.3
374.09457	0.7
388.11578	0.9
403.13849	11.1
403.24521	100.0
404.14301	0.8
404.20135	0.9
404.24982	8.6
404.30545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25124	0.8
67.05499	1.4
78.98778	0.8
79.05493	1.8
81.07066	2.6
82.44051	0.8
85.06535	2.3
87.99666	0.9
93.07066	1.2
93.45193	0.8
95.08607	3.6
105.07099	0.9
107.08607	2.4
109.10172	1.8
112.29850	0.8
119.08575	1.8
119.35926	1.0
121.10174	2.0
123.28337	0.9
129.01840	1.7
133.10127	1.1
135.11740	1.3
142.12943	0.8
145.10144	1.0
165.05576	1.1
169.74817	0.8
183.02979	2.6
191.04185	0.8
211.02435	1.4
223.80525	0.9
225.17709	0.8
301.07285	1.2
327.08691	2.1
330.07495	1.1
343.22412	100.0
344.22723	8.5
355.08044	1.1
358.06851	1.6
373.09137	16.1
374.09418	0.9
388.11270	1.7
403.13873	15.9
403.24561	52.8
404.14127	2.4
404.24875	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	403.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.1
58.32261	0.6
67.05442	1.0
69.07034	1.0
69.10677	1.6
69.11081	2.9
69.25639	0.6
77.11502	0.6
79.05478	5.8
81.07055	21.2
83.01094	1.4
91.05411	0.8
93.06994	1.7
95.08614	3.2
97.10071	0.7
100.34156	0.6
105.06982	2.2
107.08540	2.7
109.10096	1.7
119.01865	0.6
119.08533	2.4
121.10069	2.6
133.10094	2.7
135.11656	1.1
136.11171	0.7
145.10072	1.3
147.11679	3.6
149.13181	1.7
159.11670	1.2
161.13177	1.8
168.41676	0.6
173.13185	1.2
175.14729	2.1
183.02872	1.0
185.40025	0.6
187.14819	1.1
193.12177	0.6
201.16388	1.4
211.02258	1.2
257.22504	1.1
261.29453	0.6
289.36069	0.5
325.21326	2.7
330.07773	0.5
343.22415	100.0
344.22739	7.4
355.08041	0.7
357.06268	0.7
358.06839	0.6
373.09171	5.9
374.09708	0.8
388.11417	1.0
397.76056	0.6
403.13828	6.3
403.24524	59.1
404.14322	0.8
404.24939	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	403.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93718	0.6
53.10483	0.6
55.05505	1.2
56.96333	0.8
56.96561	4.0
62.07202	0.7
67.05504	1.6
69.07042	1.5
79.05494	4.3
81.07057	10.5
81.24773	0.6
83.01115	1.2
83.04960	0.9
91.05501	1.1
93.07045	3.3
95.08609	2.9
97.99146	0.8
104.90731	0.7
105.07017	3.8
107.08609	3.9
109.06521	0.8
109.10164	1.5
117.07030	1.4
119.08554	3.8
121.10134	2.0
129.07066	0.6
131.08583	2.2
133.10147	3.3
135.08086	0.7
135.50775	0.7
139.00691	0.9
143.08534	0.9
145.10110	10.2
147.11684	9.1
149.13261	3.3
151.02451	0.7
157.01855	0.8
157.10092	1.7
159.11693	4.4
161.09676	1.3
161.13316	2.2
171.11723	0.9
173.13297	3.4
175.14862	1.6
177.12720	2.0
185.13240	1.4
186.26205	0.7
187.14824	5.2
189.04402	0.8
191.14311	1.3
195.13701	3.8
199.14796	1.0
203.14322	1.1
205.15891	1.1
217.15952	1.0
223.10156	0.8
225.07922	1.2
231.13586	0.8
239.17957	0.9
248.09601	5.1
255.21211	1.0
262.15433	1.6
266.10690	6.3
284.11713	2.3
318.17300	1.3
334.16928	1.4
336.18326	1.6
343.22424	100.0
344.22714	7.0
362.16299	9.6
380.17416	30.4
381.17648	3.3
384.25137	0.8
398.18323	3.1
403.24695	88.4
404.25012	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	403.2819
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
52.02107	2.4
52.61626	2.6
83.19537	2.4
83.47471	2.3
91.60083	2.5
92.46362	2.5
129.01839	3.8
146.80112	2.2
163.07489	3.3
165.05464	2.7
166.83775	3.0
183.02866	14.4
206.73286	2.3
211.02328	6.7
258.05228	4.4
301.07077	5.4
310.55124	2.3
313.06854	3.2
327.08588	9.6
329.06595	3.9
330.07211	6.5
345.09573	2.8
355.08078	2.6
357.05783	2.5
358.06708	6.9
371.25244	12.3
373.09149	83.8
373.13943	4.5
374.09467	8.3
385.27084	75.6
386.27390	3.4
388.11414	10.6
393.79510	2.9
403.13849	74.3
403.28137	100.0
403.39474	4.5
404.14188	6.0
404.28391	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	403.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
67.05502	11.0
69.07063	32.2
70.39471	8.5
71.04993	4.4
79.05483	9.1
81.07052	11.6
83.04971	3.0
88.63032	2.8
91.05454	4.4
93.07046	9.3
95.08616	9.5
97.06536	3.8
105.07021	7.4
107.08582	4.9
109.06598	3.2
109.10106	5.0
119.08581	3.4
123.08112	4.0
133.10103	3.9
145.10121	4.6
147.11745	4.4
165.05518	3.4
183.02940	10.8
185.08130	4.5
199.81464	3.1
211.02339	9.4
229.03522	3.1
301.07175	4.7
313.06973	4.4
315.04834	3.1
327.08670	11.4
330.07156	6.0
334.71429	2.8
345.09430	5.1
355.08084	8.8
357.05658	3.7
358.06744	5.3
368.69659	3.0
373.09195	90.3
373.13913	5.1
374.09470	9.7
388.11523	8.7
403.13861	100.0
403.19223	6.2
403.32077	7.7
404.14261	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01863	9.8
57.03432	6.4
58.81571	1.4
61.02922	7.5
67.98906	1.4
68.99779	4.5
69.01411	1.4
69.03423	29.5
71.04996	5.7
73.02908	9.6
78.54613	1.5
81.03413	28.7
83.01323	2.6
85.02898	100.0
87.00823	33.7
87.01330	2.5
87.04468	1.7
91.03951	1.7
97.02885	45.7
99.04449	13.6
105.01854	34.9
105.02538	2.4
108.04480	4.8
109.02869	31.8
117.01874	4.9
121.06547	1.9
126.05562	4.0
127.03908	83.9
128.04227	1.5
129.01837	4.4
139.07558	3.2
142.97485	1.5
145.04955	51.3
147.02902	5.3
159.02876	27.1
161.05934	3.5
163.07549	2.7
181.08540	1.7
189.03983	2.4
205.08643	3.8
213.03918	2.5
229.08617	2.2
231.05019	15.8
243.10213	4.4
248.07733	2.6
249.06050	1.8
267.09930	7.9
317.08240	3.8
381.46594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01866	7.9
55.42852	1.2
57.03430	5.2
60.61290	1.1
61.02914	5.2
68.99780	3.2
69.03423	35.2
69.14642	8.7
71.04998	4.6
73.02919	5.1
81.03411	21.5
85.02898	100.0
87.00824	38.9
87.04433	1.3
91.05463	2.7
93.07050	2.9
97.02887	26.5
99.04456	14.3
103.03951	4.8
103.05454	1.9
105.01858	66.0
106.44662	1.2
108.04472	3.3
109.02870	25.8
117.01842	3.3
121.05627	1.7
121.06495	32.7
121.07316	2.2
124.23144	1.1
127.03905	69.1
128.04237	1.3
129.01834	2.7
145.04951	37.0
145.06328	2.4
146.69321	1.2
147.02885	2.9
159.02878	15.3
163.07558	3.5
171.02960	1.7
175.62999	1.4
177.03844	1.2
187.07523	3.9
189.03908	14.2
205.08636	5.3
213.03973	2.4
229.08614	4.3
230.06824	1.9
231.04974	19.7
247.09669	5.0
248.07648	2.1
249.06027	6.2
369.12189	1.4
404.15726	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71422	1.1
53.03941	5.0
53.31572	1.1
55.01872	9.3
57.03439	7.8
61.02928	6.5
68.99780	3.0
69.03427	36.8
71.04988	3.9
72.91432	1.2
73.02919	7.0
81.03415	25.4
85.02904	100.0
87.00829	44.9
91.03961	2.1
91.05471	2.0
93.07041	4.3
95.04951	1.7
97.02898	27.9
98.23441	2.9
99.04467	13.0
103.03979	6.0
103.05454	3.3
105.01870	48.5
108.04461	3.7
109.02178	2.3
109.02879	30.2
111.08944	1.2
117.01834	2.9
121.06503	34.6
121.33372	1.4
127.03916	64.8
129.01836	4.1
130.53883	1.1
145.04964	27.6
145.06424	2.1
147.02881	3.6
159.02892	12.1
163.07565	3.1
165.68729	1.2
183.08102	1.5
187.07544	4.7
189.03931	9.3
191.88832	1.2
205.08632	4.9
211.07643	1.3
213.04037	2.0
229.08524	4.3
231.04997	15.6
247.09634	4.3
249.06088	3.7
274.02219	1.4
408.08740	1.4
425.88052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	19.5
61.42743	0.7
62.06755	0.9
69.89925	1.7
71.95284	0.9
79.05479	0.9
81.07064	1.4
83.08603	0.9
91.05490	1.3
94.04180	2.4
95.08599	1.0
96.98404	1.1
98.22781	1.1
98.97580	98.5
105.07030	1.1
114.99507	1.2
115.08153	0.9
116.98618	66.0
117.07916	0.9
119.08615	1.1
122.03614	5.1
133.70107	0.8
134.99658	32.8
137.05980	49.8
138.06320	1.1
140.00195	3.6
153.00697	3.8
158.01271	2.2
161.13318	1.0
179.00175	2.1
197.01260	2.6
204.27515	0.9
211.02782	1.3
220.00522	3.3
224.09601	2.2
226.11139	18.2
235.02768	66.1
236.03180	3.0
238.01520	3.1
244.12230	8.9
253.03835	100.0
254.04213	3.8
267.68695	1.0
268.12247	4.6
271.04895	2.9
276.05441	7.7
280.12201	1.6
329.13046	0.8
344.15332	6.1
362.16446	2.6
374.09631	2.0
404.17462	77.1
405.17685	5.7
405.22559	5.9
405.26984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
55.05510	3.3
56.06282	1.2
65.03937	1.2
66.33728	1.1
67.05507	4.4
69.03442	1.5
69.07069	1.9
69.84534	4.1
70.06580	1.7
79.05483	6.2
81.03402	2.5
81.07057	3.9
83.01331	1.5
83.08633	1.2
85.02928	2.0
85.54384	1.2
91.05486	5.8
91.71974	1.3
93.07053	3.3
95.04978	1.8
95.08614	2.4
105.07032	3.7
107.04984	2.7
107.08646	2.1
109.02901	1.5
117.07014	3.9
118.82760	1.4
119.04871	1.6
119.08546	2.4
121.06483	1.3
121.10164	1.6
129.07031	2.2
131.04900	1.3
131.08600	3.3
133.06502	1.9
133.10158	1.4
138.49811	1.2
145.06509	2.4
147.04361	1.7
147.89902	1.4
149.02315	2.3
155.03377	1.3
161.05951	2.9
163.03929	2.6
167.08662	1.9
171.08023	1.4
173.06049	2.2
175.03943	1.8
177.05540	1.5
189.05412	2.5
199.11147	2.1
201.05455	1.9
213.12839	2.4
217.05019	1.4
221.04439	4.6
223.11229	2.4
227.10617	1.2
233.11783	3.3
251.10815	2.0
259.13327	2.3
261.11270	2.3
269.11752	3.4
287.12778	4.4
297.11252	3.8
305.13852	2.8
315.12207	14.1
333.13309	100.0
334.13559	7.7
351.14401	15.6
369.15430	1.4
386.20993	1.4
404.17514	21.5
405.17520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.01790	0.6
57.03432	1.8
67.22932	0.7
69.03425	3.3
69.39088	3.4
73.02910	1.3
81.03398	0.8
83.04954	2.0
85.02895	4.6
85.80999	0.6
86.03249	0.7
87.00822	1.3
97.02869	3.6
101.50011	0.6
105.01865	2.2
109.02856	1.2
111.04440	1.1
121.06517	0.9
122.06849	0.7
123.05525	1.2
127.03912	2.0
128.04227	0.7
128.68762	0.7
130.40741	0.7
145.04958	1.1
151.03865	1.0
180.53859	0.7
185.04269	1.4
202.24615	0.6
229.06830	1.2
232.05379	0.7
305.42490	0.7
317.08401	40.0
318.08676	1.8
405.13651	100.0
406.14020	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	405.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01877	3.3
57.03433	3.3
58.61165	2.7
67.05505	9.8
69.03429	26.6
69.63721	5.2
69.64131	7.3
70.06592	3.1
79.05497	6.9
81.03416	19.7
81.07057	7.3
82.15518	2.7
84.04501	2.9
85.02901	47.0
87.00842	15.7
95.04971	6.9
95.08605	4.7
96.84859	2.5
97.02892	7.4
97.06557	4.4
99.04447	5.4
105.01862	22.8
107.24293	2.7
108.08138	8.2
109.02880	14.7
109.06516	4.1
119.08572	3.8
121.06492	3.2
124.07620	2.7
125.06015	5.2
126.05533	9.5
127.03911	26.9
129.01860	3.4
136.07547	15.2
140.07069	11.4
145.04987	6.5
150.09122	4.0
151.07726	2.4
152.07069	59.2
154.08670	4.1
164.07086	14.6
171.02904	3.9
178.08646	10.3
182.06502	4.8
182.08121	87.7
182.09668	5.3
189.03979	18.2
192.10182	9.9
202.08653	4.4
205.90683	2.8
206.08110	14.6
220.09695	8.0
231.05005	6.7
235.86755	2.6
248.09180	100.0
249.09575	4.4
259.11154	6.5
308.11185	4.4
334.09106	9.1
345.10800	2.5
352.10355	6.8
355.90933	2.4
373.10791	3.1
420.18097	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55090	2.6
55.01845	3.6
55.05529	3.5
69.03423	39.4
71.45712	3.4
79.05494	9.5
81.07047	14.7
83.04976	12.7
91.05460	17.6
93.07021	13.8
95.04961	7.8
95.08572	3.6
97.02895	43.2
98.90156	2.7
104.99281	3.5
105.07034	26.6
107.08581	4.9
108.56030	2.9
109.06530	18.0
115.05434	10.6
117.07027	6.9
119.04911	4.7
119.08583	14.5
119.68554	3.3
121.06519	30.6
121.10107	3.4
122.57410	2.7
123.08102	4.1
128.06233	6.6
129.07002	17.4
131.08557	12.5
133.06488	10.5
133.10062	3.0
135.04407	18.5
135.08023	7.4
142.07803	5.5
143.08540	15.4
145.06441	16.9
145.10153	4.2
147.04405	5.6
147.08043	47.7
148.08827	100.0
149.05998	3.7
149.09195	3.1
150.06781	2.9
153.05498	6.2
153.06863	2.8
155.08554	10.8
156.09364	3.7
157.06528	3.2
157.10165	4.4
159.08084	7.5
159.11722	5.3
161.05959	15.0
161.09619	5.5
163.07536	3.8
165.06961	7.0
166.07739	8.0
169.06534	3.0
169.10130	3.7
171.08046	9.4
171.11681	10.8
172.08760	6.0
173.06024	8.6
173.09567	8.3
175.07547	7.4
177.09166	3.1
178.07741	5.9
179.08586	5.6
180.09358	4.3
181.10112	5.6
182.07169	3.3
183.08058	7.8
183.11713	3.9
184.08807	4.7
185.05902	3.2
185.09599	5.8
186.64224	3.0
187.07535	4.7
187.11105	3.1
193.10265	4.9
195.08133	4.0
197.05951	3.6
197.09613	15.8
197.58076	3.0
198.10269	4.2
199.07532	17.4
199.11154	20.5
203.08530	3.4
206.10980	3.7
208.08711	3.4
209.09586	10.1
211.07549	3.6
211.11113	7.0
212.08353	4.4
213.09061	3.7
214.09865	5.6
215.10580	4.3
217.12161	5.5
221.09634	6.2
223.11121	8.2
225.09129	8.1
227.07094	5.9
227.10635	51.5
228.10883	3.4
229.12271	3.9
232.08678	3.0
233.09578	5.4
237.12675	3.7
239.10664	9.7
240.11481	6.7
243.10156	14.8
245.11646	7.3
249.09142	10.5
249.12714	5.6
250.09798	3.2
251.10648	12.8
257.11694	6.6
258.98868	2.8
259.11005	7.3
263.10529	3.0
267.10135	19.5
277.12195	13.8
279.10159	4.7
280.14569	6.0
281.15335	11.0
289.12228	4.9
291.13809	7.2
301.11880	3.2
305.11536	3.4
308.14148	3.5
309.14886	14.5
331.16858	11.1
341.15338	37.9
342.15967	3.7
359.16357	53.3
360.16617	4.0
369.14789	11.3
377.17383	12.0
387.11026	6.1
387.15860	83.1
388.16129	7.6
405.17062	75.8
405.25742	20.1
406.17279	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	405.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01875	19.2
55.05508	7.5
57.03437	13.9
61.02914	6.6
67.05502	28.8
69.03439	47.5
69.07072	13.2
70.67265	9.2
73.02911	11.1
76.43580	4.7
79.05483	10.1
81.03421	15.3
81.07053	52.5
81.40778	4.3
81.93030	5.4
83.04990	20.0
84.04519	8.4
85.02899	100.0
87.00829	51.5
90.65883	5.7
93.07033	4.9
97.02881	56.7
97.78752	4.3
99.04453	16.3
104.61443	4.5
104.99271	8.5
105.01875	73.0
107.05045	4.7
109.02863	25.8
123.11704	11.3
127.03918	67.5
130.05029	5.1
139.11256	7.3
145.04967	38.2
159.02840	11.3
166.08635	4.7
197.09593	6.3
231.05002	19.0
243.09976	5.3
249.06172	5.8
282.50180	5.0
292.98276	4.7
371.16858	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	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
66.87026	0.3
69.09157	1.5
69.09578	1.1
72.06390	0.3
78.97610	0.4
95.04375	0.4
105.07019	0.9
119.08598	0.5
161.09741	0.4
196.54990	0.4
264.73264	0.4
357.22531	0.4
366.25131	0.4
384.62994	0.4
405.22455	100.0
406.22775	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	405.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
67.05495	2.6
69.03430	2.7
69.07069	2.2
70.82707	1.3
74.12072	0.7
79.05484	1.9
81.07049	6.5
83.01093	1.4
85.06545	1.6
91.05495	1.8
93.07025	4.7
95.08582	5.2
99.08062	0.9
105.07025	1.9
107.08579	6.6
109.06516	2.2
109.10169	1.8
119.08543	4.2
121.10136	6.8
123.08069	1.8
123.11712	1.9
125.09657	1.3
131.08617	1.3
133.10118	7.6
135.11688	0.9
139.11148	4.4
145.10138	3.5
147.11639	1.6
149.13232	9.3
151.11166	3.5
157.10165	1.3
159.11668	3.9
161.13304	0.9
169.12212	5.3
173.13243	4.0
185.13246	1.7
187.14828	2.6
189.16415	2.1
199.14830	1.1
200.14352	0.9
201.16402	2.4
243.21233	1.6
277.17630	1.1
303.26831	1.7
323.26019	1.5
331.26279	4.4
345.23972	60.0
346.24319	4.3
405.22287	100.0
405.26233	89.9
406.21780	8.3
406.26596	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	405.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35503	0.4
53.03938	0.6
54.78063	0.4
55.01871	0.4
55.05508	4.1
57.03428	5.1
57.07064	1.4
59.36876	0.3
60.29733	0.3
64.51742	0.4
67.05500	4.4
69.07061	4.2
79.05478	2.9
81.07050	5.9
82.20354	0.4
83.08612	3.6
91.05459	0.4
92.49300	0.4
93.07048	2.7
95.08601	4.5
97.06535	0.7
97.10162	1.9
98.23445	0.8
106.03802	0.4
107.08581	1.4
109.10134	1.3
111.08018	0.7
111.11736	0.5
113.00004	100.0
121.10117	3.0
123.11708	0.8
125.09637	0.5
131.01033	0.8
135.11674	2.1
137.13235	0.5
139.01575	0.4
142.16986	0.4
149.13210	1.0
152.22159	0.4
155.01077	0.5
169.02594	90.1
170.02927	1.3
219.17352	0.5
219.21045	1.5
237.22145	1.8
309.99649	0.4
361.52005	0.4
375.09866	0.6
404.39740	0.6
405.14597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.6
55.05508	9.8
55.62006	0.5
56.70027	0.5
57.03431	6.7
57.07077	3.3
67.05500	6.2
69.07062	12.4
71.08617	2.0
79.05489	3.5
80.69234	0.5
81.07047	6.3
82.83525	0.6
83.08608	9.8
91.05482	0.7
91.60761	0.6
93.07032	4.7
95.08615	4.2
96.24694	0.6
97.06535	1.4
97.10155	6.3
105.07042	1.6
107.08589	2.7
109.10130	1.0
111.08057	1.0
111.11729	1.8
113.00008	100.0
119.08561	1.2
121.10144	5.6
123.11694	1.6
125.09589	0.8
131.01028	0.7
131.08530	0.9
133.10152	1.1
135.11647	3.3
143.08670	0.6
148.33298	0.6
151.01498	0.7
157.30949	0.6
169.02603	95.6
170.02942	1.9
183.02834	0.9
219.21037	1.4
237.22116	7.0
241.07149	1.1
396.46045	0.7
399.40289	0.7
405.14590	1.1
405.34103	1.2
406.29895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05506	36.6
57.07074	8.7
63.21973	3.7
65.03944	3.8
67.05505	57.6
69.07060	35.9
69.84502	6.1
69.84853	7.9
70.06589	17.4
71.05003	8.1
77.03925	4.4
79.05482	54.7
81.07053	73.5
83.04974	4.1
83.08607	32.2
84.08121	5.0
86.09718	4.0
88.06256	3.7
91.04939	7.7
91.05476	85.1
91.06055	5.0
93.07037	56.5
95.04967	18.1
95.08597	41.4
97.06523	8.1
97.10150	11.6
102.09178	5.6
105.07021	71.0
107.04988	10.5
107.08587	27.6
107.56824	3.5
108.09007	4.2
109.06498	9.0
109.10142	10.9
111.08080	12.2
115.05427	7.8
117.07022	55.7
119.08561	33.1
120.37680	3.4
121.06480	12.2
121.10120	18.0
123.08080	6.9
128.06168	9.3
129.07016	58.1
131.08557	100.0
131.57262	3.8
133.06487	9.4
133.10133	15.4
135.08014	5.6
135.11685	11.7
137.09608	4.4
139.11191	11.3
141.06979	16.4
143.08554	48.8
145.06476	8.3
145.10109	29.3
146.11743	3.4
147.08034	8.7
147.11707	6.5
149.09605	8.8
151.11226	3.4
153.06935	6.5
154.05884	4.1
155.08534	34.1
157.10124	25.8
159.08034	4.9
159.11699	17.6
161.09746	5.0
163.11191	8.2
167.08549	7.6
169.10139	20.2
171.11665	13.3
173.09587	4.3
173.13303	6.4
175.09689	8.8
175.11159	4.9
177.12715	5.3
179.08597	8.4
181.10110	14.7
183.11642	8.3
185.13181	8.6
195.11708	13.1
197.13330	9.1
206.41130	4.7
207.11696	8.0
207.13644	4.0
209.13307	12.3
211.14932	10.6
213.12628	4.7
221.13249	10.1
223.14793	14.7
233.15385	14.9
235.14804	8.1
239.14285	7.2
241.15819	6.6
256.26285	15.3
257.15393	11.6
259.16855	4.7
271.16885	13.8
300.29047	17.9
323.23587	5.6
333.22119	12.2
341.24741	13.8
344.31516	8.4
351.23145	38.0
352.23361	5.1
369.24240	25.5
387.25259	37.7
388.25458	5.2
405.26141	11.4
406.35229	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	405.3361
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
55.01863	9.2
55.05510	23.9
57.03444	1.8
57.07067	4.5
65.03910	1.8
65.60056	1.4
66.11705	1.7
67.05502	34.2
69.03438	2.3
69.07065	100.0
69.93795	4.1
71.04996	8.1
79.05485	22.6
81.03414	2.0
81.07051	63.0
83.04993	3.9
83.08617	4.9
85.06544	8.2
91.05482	15.5
93.07030	22.4
95.04971	4.6
95.08607	23.7
97.06525	4.6
97.10178	3.4
99.08086	17.3
105.07030	20.1
107.08605	15.3
109.06520	3.6
109.10137	10.9
109.56641	1.8
111.08073	2.3
111.11720	5.8
115.07558	5.1
117.07018	2.5
119.08562	13.5
121.10139	13.7
123.08065	3.3
123.11707	5.7
125.09647	13.8
131.08580	5.9
133.10118	11.3
135.11690	10.6
137.13231	3.2
145.10120	7.3
147.11684	10.5
149.13232	4.0
159.11700	4.6
161.13260	7.4
163.14780	3.1
175.14822	2.1
185.13382	2.3
189.16409	3.2
206.90175	1.6
217.19626	1.9
218.61359	1.8
221.18968	2.3
241.06888	2.4
241.19543	2.1
277.21680	16.2
293.21152	3.9
293.24591	1.7
295.22647	9.7
369.31268	2.2
375.09747	2.4
387.32590	10.0
405.33621	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	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01870	8.0
57.03424	6.3
61.02906	6.8
68.99790	2.8
69.03427	24.9
71.04996	3.8
73.02895	12.5
77.82314	1.9
81.03407	19.0
82.57865	2.0
85.02903	74.7
85.03420	4.2
86.03201	2.8
87.00831	24.6
91.03930	2.3
91.78878	2.2
97.02885	31.6
99.04457	11.9
103.03939	3.8
105.01859	29.1
108.04484	5.0
109.02881	66.9
117.01799	3.8
124.04009	2.8
126.05460	2.7
127.03912	57.2
129.01842	6.7
131.04907	2.4
133.02838	6.1
137.05882	2.3
141.05470	28.6
145.04939	26.4
147.02872	5.1
147.04398	3.7
149.05992	4.0
159.02859	14.8
165.05463	15.2
183.06503	3.8
189.03938	9.7
203.07095	3.3
207.06580	10.7
213.03955	3.5
231.05031	8.2
231.06866	3.8
244.09578	6.5
248.07686	2.9
249.07715	10.7
313.56738	2.1
317.08536	3.9
318.08783	10.8
388.14206	2.9
406.14578	100.0
407.15149	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05506	1.4
56.05028	5.5
57.03436	5.3
58.99583	10.0
64.14500	0.7
67.03951	0.6
67.05494	0.7
68.05016	0.9
69.07059	1.0
69.49289	3.4
70.02937	0.8
73.01135	1.3
74.00625	1.5
76.02222	20.3
76.03992	2.2
79.05505	3.3
81.07053	18.2
83.06081	1.8
84.04500	25.5
85.01122	2.5
85.02882	1.8
86.00650	4.3
86.03193	0.6
86.99037	6.2
87.02686	4.9
88.02213	2.1
93.07009	0.7
94.06544	1.1
94.83050	0.8
95.08609	3.0
97.01121	1.2
97.06508	2.3
98.09686	13.4
99.05589	0.7
99.08086	4.8
100.06961	0.7
102.05542	4.6
105.01849	0.9
105.07021	1.6
110.09669	1.9
112.03963	3.4
113.04217	6.6
115.02177	0.8
115.05822	1.9
116.01668	21.6
116.02460	1.4
121.06532	1.2
122.09661	2.2
123.08057	1.4
127.03897	1.8
127.05801	1.2
129.06567	3.6
129.07437	0.8
130.05003	7.9
130.06827	4.3
130.08635	1.9
136.64842	0.6
139.05721	1.9
142.03232	1.1
142.04951	0.8
143.02649	1.4
144.01126	8.8
145.06000	1.4
156.08418	18.3
156.10193	13.8
157.06836	8.8
162.02191	23.2
167.07028	2.2
170.02727	0.9
170.06430	0.8
174.09473	13.0
179.04848	9.4
189.03233	1.1
207.06885	0.7
210.11244	3.2
216.06844	5.9
233.05865	1.9
242.08313	0.9
245.05995	1.2
259.11105	100.0
260.11563	3.6
277.12137	1.2
285.12665	2.3
313.12183	4.5
331.13086	6.3
382.86905	0.7
388.15466	1.7
406.16428	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	406.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01863	1.7
57.03432	1.9
67.05511	1.1
67.18026	1.1
69.03422	3.9
69.58831	3.5
73.02911	4.4
77.03932	2.7
79.05495	3.2
80.35117	1.2
81.03419	4.9
85.02901	7.2
87.50018	1.1
91.05479	17.0
91.06005	2.1
93.07050	23.9
95.04977	8.7
95.08573	1.6
97.02895	5.3
99.04465	1.4
103.05461	4.8
105.04520	5.2
105.06996	1.9
107.04992	1.3
115.03950	2.8
121.06503	37.9
123.04417	7.3
127.03915	2.3
131.04916	16.4
136.56003	1.3
139.07539	2.9
142.47290	1.4
145.04971	2.5
149.05977	100.0
150.06297	3.4
157.99277	1.4
167.07034	21.8
167.08328	2.2
168.07458	1.6
209.08046	5.0
394.51517	1.5
400.91803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01863	1.7
57.03432	1.9
67.05511	1.1
67.18026	1.1
69.03422	3.9
69.58831	3.5
73.02911	4.4
77.03932	2.7
79.05495	3.2
80.35117	1.2
81.03419	4.9
85.02901	7.2
87.50018	1.1
91.05479	17.0
91.06005	2.1
93.07050	23.9
95.04977	8.7
95.08573	1.6
97.02895	5.3
99.04465	1.4
103.05461	4.8
105.04520	5.2
105.06996	1.9
107.04992	1.3
115.03950	2.8
121.06503	37.9
123.04417	7.3
127.03915	2.3
131.04916	16.4
136.56003	1.3
139.07539	2.9
142.47290	1.4
145.04971	2.5
149.05977	100.0
150.06297	3.4
157.99277	1.4
167.07034	21.8
167.08328	2.2
168.07458	1.6
209.08046	5.0
394.51517	1.5
400.91803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08788	3.7
67.05498	13.4
69.07074	4.7
70.80585	6.1
71.04996	11.1
79.05485	13.7
83.04981	6.2
85.02905	12.3
85.06534	89.3
91.05461	13.6
93.07069	13.1
93.61601	3.6
97.02908	5.4
98.22768	4.7
99.08072	3.9
105.06979	5.0
107.04946	5.8
107.08588	16.2
111.04426	11.8
119.08575	8.5
121.06512	9.1
121.10127	10.9
129.07002	8.9
129.78688	3.9
131.08542	61.2
135.11707	5.6
137.09610	6.6
145.10106	23.7
149.09595	51.8
163.11205	17.8
165.09143	5.1
167.10616	26.5
173.09637	6.1
184.54210	3.9
191.10675	54.2
209.11719	80.4
209.13515	7.0
210.41087	4.7
227.12752	100.0
327.83224	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12975	1.6
52.37868	1.6
53.03942	7.7
55.01874	8.0
55.05499	1.9
57.03430	3.7
61.02922	7.4
65.03936	2.7
67.05502	40.0
68.99789	2.2
69.03429	31.5
69.23655	9.9
71.04984	4.5
73.02901	5.4
79.05498	11.5
81.03423	24.5
81.06324	2.0
81.07054	85.1
85.02901	100.0
86.03255	2.0
87.00822	44.2
87.01324	3.2
90.09180	2.0
91.03954	2.5
95.08630	3.0
97.02890	38.2
97.03493	2.7
98.23586	1.7
99.04472	13.2
101.02361	1.8
103.03939	1.6
105.01154	3.6
105.01863	69.1
108.04468	3.4
108.39405	1.5
109.02879	32.0
115.03918	1.4
117.01862	3.7
121.10167	2.0
122.14689	1.5
123.11699	16.9
125.74606	1.5
126.05569	2.2
126.44314	1.5
126.61256	1.6
127.03909	76.5
129.01837	2.5
135.08141	1.7
144.67395	1.7
145.04950	42.8
147.02905	4.4
159.02881	16.2
173.54420	1.6
189.03938	2.9
200.64230	1.8
213.03857	4.8
231.05009	21.7
248.07582	1.8
249.06027	6.9
291.68994	1.5
295.60269	1.7
315.28070	1.6
335.14734	2.0
389.13065	1.7
406.30240	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
63.89240	1.2
65.03936	1.7
67.05511	6.8
69.03424	4.0
69.12547	5.1
69.12958	4.2
70.85291	1.4
79.05470	6.8
81.03427	4.4
81.07033	3.4
83.04964	2.6
83.08616	3.4
85.02917	7.2
85.06551	1.8
91.05489	3.1
93.07024	6.7
95.04967	21.5
95.08599	12.7
97.02872	6.9
97.06571	1.8
97.53021	1.3
99.04462	5.8
103.05451	2.2
105.06355	2.2
105.07026	23.4
107.04955	3.3
107.08591	3.3
108.05759	2.3
109.06528	3.6
109.10178	2.2
115.03928	1.4
117.07077	1.4
119.08593	2.1
121.06486	1.5
123.08063	76.9
124.08382	2.9
127.03805	1.6
133.06490	13.9
133.10190	1.8
135.42197	1.5
151.07536	100.0
151.11183	4.8
152.07913	3.5
153.09076	7.1
156.07762	1.3
160.07704	1.6
161.05981	3.3
167.14316	5.8
169.08614	4.2
173.13365	1.9
191.14308	3.4
209.15359	31.1
210.15758	2.3
223.06926	1.8
226.18024	2.5
245.11833	4.3
311.11185	1.9
311.47421	1.6
406.18402	1.9
406.24146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1524
Annotation	Pamapimod
Peak:m/z	Relative Intensity
69.19640	1.7
84.11615	0.3
87.79593	0.3
95.32426	0.3
95.45208	0.3
113.37167	0.3
132.90216	0.3
174.53069	0.4
275.10992	3.6
347.08167	0.5
407.15204	100.0
408.15594	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	407.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64598	1.0
53.03937	3.9
55.01859	1.6
57.21729	1.4
60.57703	1.2
67.05499	2.4
69.03448	1.2
69.38208	6.0
77.03912	3.0
79.05493	7.5
81.03419	5.5
81.07038	1.5
85.02894	3.4
91.05478	20.7
92.05835	1.4
93.07043	54.8
94.07368	2.7
95.04974	12.5
98.23389	2.2
103.05466	3.3
105.04504	5.5
105.07011	2.5
107.04953	5.0
111.08124	1.4
116.34698	1.2
121.06508	32.5
123.08038	1.4
131.04890	3.3
133.06454	3.2
139.07512	4.6
141.11185	1.4
149.05977	65.7
150.06320	2.9
151.07533	23.6
160.07657	1.3
167.07036	100.0
168.07387	4.6
200.23978	1.2
228.13199	1.5
407.17084	5.0
407.26135	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	407.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
54.43182	1.3
55.01865	2.2
55.05513	3.9
55.77105	1.2
57.03411	2.6
61.02903	1.9
67.05500	3.5
69.03426	8.0
69.07050	3.1
69.42683	7.0
71.04997	4.4
73.02914	2.9
76.48913	1.3
77.52663	1.5
79.05483	3.9
81.03397	4.1
81.07043	4.9
83.04987	10.5
85.02898	7.7
91.05466	8.0
93.07023	6.1
95.04960	4.9
95.08617	5.2
97.02891	3.0
97.06532	4.2
98.22733	1.7
99.04434	2.9
105.07027	16.8
107.04949	2.1
107.08594	5.0
109.06531	4.0
109.10200	1.3
111.04400	3.8
115.05516	1.5
117.07011	4.5
119.08558	8.6
121.06487	3.9
121.10130	2.2
123.08069	6.7
125.06001	3.4
128.06221	3.5
129.05405	1.5
129.07004	6.2
130.07730	1.5
131.08582	8.4
133.06485	5.0
133.10126	7.5
135.08032	2.4
137.05998	1.9
141.06960	2.5
142.07764	6.7
143.07071	1.5
143.07478	1.6
143.08548	9.6
144.09258	1.4
145.06509	2.2
145.10136	15.4
147.04352	2.5
147.08083	1.7
147.11702	5.7
149.09612	2.2
151.07545	8.5
155.08554	6.5
156.09337	2.6
157.10114	18.0
159.08052	4.8
159.11717	7.8
161.09605	2.7
165.06963	2.7
167.08607	2.7
169.08684	2.8
169.10114	6.3
171.08061	3.8
171.11725	5.1
173.09592	3.5
173.13242	2.6
175.07565	4.4
175.11174	4.5
177.05493	2.0
179.08571	2.3
180.09375	1.4
181.10124	6.1
182.10828	3.0
183.08060	2.3
183.11676	4.7
184.08769	2.3
185.09583	2.4
185.13271	4.9
187.11224	4.3
191.10689	2.1
193.10158	3.4
194.10892	2.9
195.11687	3.9
197.09624	2.4
197.13194	6.9
199.11151	6.1
199.14890	4.5
201.09012	2.4
201.12712	2.1
209.09599	1.8
209.13298	4.3
211.11139	2.7
212.08305	1.9
213.12646	3.1
215.06964	5.6
215.14183	2.3
217.12238	2.4
223.14777	1.8
225.12717	3.5
227.10742	3.5
227.14249	4.1
229.12166	1.7
229.15924	2.3
239.14241	3.0
241.15910	1.9
245.11714	100.0
245.15556	4.6
246.12068	5.5
251.14243	1.8
257.15359	3.5
261.14859	3.5
269.15302	2.0
273.14722	2.0
285.14789	2.3
287.09027	1.8
287.16360	4.8
291.15903	2.0
299.16495	1.8
311.16217	2.0
317.17459	1.7
329.17416	5.4
353.17499	2.5
371.18503	5.6
389.19604	8.8
407.16833	8.6
407.20660	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	407.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35342	10.3
55.01868	31.2
55.05507	19.1
57.03413	24.8
59.87326	10.3
62.45920	9.5
65.03942	36.2
67.05507	50.2
68.98559	10.0
69.03431	32.5
69.07059	15.5
70.06600	15.5
70.67307	17.3
71.04980	13.2
79.05492	40.1
81.03414	30.5
81.07050	41.0
83.04974	30.5
91.05482	41.6
93.03403	22.3
93.07043	44.4
93.49072	12.9
95.04951	32.1
95.08611	36.1
97.06499	13.6
101.97694	12.4
105.07008	69.6
107.04989	11.5
107.08575	64.7
109.02861	23.2
109.06522	23.9
109.10166	18.9
111.04446	61.6
119.08577	61.1
121.06498	47.9
121.10144	48.6
123.08071	33.2
123.11655	18.0
129.07030	19.6
131.08569	47.3
133.10133	42.9
135.08029	29.0
135.11670	13.8
137.02306	35.9
137.09602	25.2
139.03918	42.9
143.08511	27.5
145.06439	12.8
145.10127	33.5
147.08040	17.1
147.11664	17.4
149.09619	29.2
149.13190	13.3
151.07513	18.6
155.03452	9.8
155.08551	10.2
157.10120	22.2
158.10820	11.6
159.08063	14.3
159.11650	19.8
161.09607	28.8
163.11096	15.8
171.11711	22.8
173.09669	26.0
173.13208	53.8
175.07501	13.5
175.11206	23.1
175.14841	29.6
177.08943	13.4
177.12814	10.4
181.10097	14.3
183.11685	26.6
185.09633	11.9
185.13272	39.1
186.82964	10.6
189.12794	14.5
191.10651	11.6
191.14328	39.3
193.10220	14.3
195.11699	13.3
197.08176	52.6
197.13313	15.7
199.11084	23.2
201.12807	19.2
203.14334	19.8
209.13300	12.2
211.11215	19.8
213.12782	13.8
217.12172	11.5
219.13689	10.8
227.14395	13.4
247.14629	12.4
255.13725	12.2
257.11517	11.6
273.14771	11.3
283.16949	19.8
301.17892	50.1
311.16345	15.3
329.17422	66.6
347.18542	100.0
348.19135	17.0
365.19748	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	407.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09962	4.2
53.03943	12.8
55.01876	6.7
55.05507	10.6
57.03431	14.6
65.03931	4.4
67.05495	13.4
69.03427	7.3
69.07069	11.8
69.64196	9.7
70.06576	6.2
71.04990	7.2
71.78545	4.5
79.05490	10.3
81.03415	32.3
81.07048	25.3
83.04534	4.9
83.04977	24.4
91.05487	20.3
93.03420	4.9
93.07043	16.8
95.04986	15.7
95.08611	16.8
97.02885	7.2
97.06544	9.9
98.23373	5.9
99.04481	6.3
105.07018	30.8
106.52425	4.4
107.04998	5.5
107.08603	20.5
109.02877	100.0
109.06515	13.5
109.10180	12.4
111.04424	29.6
111.08002	4.8
117.07030	5.0
119.08556	31.0
121.06525	8.5
121.10145	62.0
123.08054	14.3
123.11716	8.3
127.03900	6.9
129.07019	8.2
131.08569	20.5
133.06531	4.3
133.10150	23.4
135.08028	12.7
135.11665	15.6
137.02325	39.2
137.05923	5.2
139.03886	24.4
141.06873	5.6
143.08566	14.2
145.10097	25.6
147.07997	7.7
147.11693	7.4
149.09590	7.4
150.12808	11.8
151.07506	7.9
151.11160	10.1
155.03429	14.3
155.08553	5.3
156.09328	7.2
157.10159	15.0
158.11009	6.4
159.08052	8.5
159.11693	23.9
161.09613	15.7
163.11143	8.0
169.10168	9.5
171.11719	12.4
173.09628	16.8
173.13260	25.9
174.13721	4.1
175.11086	5.4
175.14870	14.5
175.56456	4.4
176.11990	5.2
177.12804	12.3
179.06995	8.4
181.10185	4.4
182.45853	4.4
183.11671	6.1
185.09612	6.0
185.13248	11.4
187.11217	8.0
187.14694	5.7
189.12811	10.6
191.10750	5.3
191.14255	36.4
192.14981	6.9
193.15869	13.0
195.11691	8.2
197.13232	15.0
198.14017	5.0
199.11208	6.0
201.09157	5.5
201.12694	9.3
202.26988	5.3
207.06604	5.0
209.13271	8.8
213.12717	8.5
215.14302	11.3
219.13750	9.7
223.14781	6.7
245.15421	9.5
255.13695	8.2
259.13303	8.0
263.16473	6.2
265.15897	8.8
267.13763	4.8
273.14862	11.5
273.18475	5.6
283.16934	16.5
301.17896	10.9
311.16467	19.8
312.17191	5.1
329.17456	56.6
347.18570	26.5
375.20471	5.6
407.13187	7.3
407.18387	58.0
408.23166	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	407.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05260	0.9
55.05500	2.9
57.03419	1.1
57.07068	2.6
67.05492	5.9
69.03414	2.5
69.07055	2.7
71.04971	1.0
71.08611	1.0
79.05482	5.5
79.05876	1.1
81.03402	2.4
81.07057	7.9
83.04972	1.9
83.08623	2.1
89.06040	1.8
91.05474	7.6
93.07034	7.4
95.04964	7.3
95.08601	5.6
98.97574	5.2
99.04459	0.9
99.08080	0.9
100.92146	0.9
104.99262	29.3
105.07021	10.3
107.04941	1.4
107.08553	5.8
107.51787	1.0
109.06516	3.0
109.10146	1.6
111.04406	1.2
116.98589	3.9
117.07005	3.0
119.08579	7.4
121.06523	2.6
121.10136	2.5
123.08065	2.8
123.11655	1.3
128.06177	1.4
129.06989	1.2
131.08548	4.8
133.10152	4.4
134.99658	3.5
135.08066	2.1
135.11591	1.4
142.07745	2.6
143.08553	4.4
145.10118	6.5
147.08029	2.5
147.11684	2.2
149.09628	1.5
151.07555	1.2
151.11095	1.2
156.09247	1.1
157.10081	5.0
159.08009	1.8
159.11697	1.7
161.09621	2.6
163.11247	1.2
165.09134	1.8
167.08519	1.2
169.10080	3.2
171.11681	3.4
173.09677	1.7
173.13258	2.4
177.09111	1.6
180.09280	1.0
181.10083	1.2
183.11728	2.6
187.11240	1.8
191.10695	1.2
195.11775	1.6
199.11209	2.0
212.07826	2.7
221.15271	1.9
229.15692	1.2
251.10213	1.7
266.12512	1.8
267.13370	1.8
286.19336	1.3
343.26086	1.1
347.19534	100.0
348.19803	6.4
371.25613	1.7
389.20001	7.0
389.26761	3.0
402.24872	2.6
404.68915	1.1
404.74283	1.2
407.25674	24.5
408.26004	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	407.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57898	23.8
56.96557	23.0
67.05495	52.9
69.41519	80.3
70.06622	20.5
81.03421	69.8
81.07066	32.4
91.05480	33.3
95.04984	100.0
98.23518	24.0
105.07047	38.9
119.08601	28.1
121.06480	20.7
121.10172	63.6
131.08546	32.0
143.08554	22.0
191.14326	50.0
250.73009	25.9
313.18143	53.2
322.63589	26.6
333.17419	65.0
407.23715	92.0
408.30847	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	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29511	0.8
54.95927	0.8
55.05497	0.9
57.03428	4.7
57.07076	8.6
65.22769	0.8
67.05490	2.6
69.07066	2.1
69.09181	6.3
71.08626	4.7
74.62037	0.9
76.42653	1.1
79.59460	0.9
81.07050	2.4
83.08637	1.7
85.10172	2.7
89.06011	2.5
95.08594	3.8
97.10185	1.0
98.23373	1.9
109.10105	1.9
113.00011	95.9
114.05264	1.0
115.10374	1.0
123.11693	1.1
133.08589	1.3
145.83986	0.9
163.93581	0.9
169.02608	100.0
195.12285	4.2
325.21417	1.6
353.61423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
50.85139	3.3
51.12077	3.4
55.01871	3.2
55.05517	29.8
57.07058	5.3
63.86793	3.6
65.03938	4.2
67.05502	52.0
69.03437	6.2
69.07072	18.5
70.29811	3.4
71.04993	5.3
71.19005	3.4
74.02182	3.8
79.05498	50.6
81.07053	61.2
83.05000	5.9
83.06130	16.8
83.06543	3.1
83.08606	9.1
84.04504	66.5
91.05484	73.6
93.07039	47.7
95.04969	16.8
95.08604	44.5
97.06511	5.2
97.10173	4.2
101.07150	7.2
103.05453	4.3
105.04533	3.7
105.07024	83.1
107.04964	4.0
107.08588	27.9
109.06491	6.6
109.10156	11.1
115.05419	3.8
117.07024	28.1
119.08584	47.1
121.06522	8.0
121.10172	17.9
123.08073	4.3
129.06572	18.4
130.05006	66.2
131.08553	56.6
133.06586	4.6
133.10132	27.7
135.08087	3.7
135.11725	5.7
141.06888	6.1
142.07736	4.3
143.08539	17.4
145.06468	8.1
145.10149	34.3
147.07648	28.7
147.11717	8.6
149.09688	5.8
155.08539	10.8
157.10124	16.3
159.08076	4.0
159.11699	13.8
161.13293	5.2
167.08582	7.5
169.10132	12.4
171.11745	9.2
173.13295	7.0
175.11220	4.1
181.10127	8.4
183.11705	6.9
185.13272	5.6
187.11182	4.0
194.10768	3.8
195.11697	9.0
197.13303	4.9
199.11148	3.2
207.11729	3.7
209.13258	7.4
211.14781	5.0
212.62621	3.9
215.14360	4.5
223.14676	4.9
233.15353	9.0
247.16942	6.3
259.17007	7.2
261.18555	5.6
273.18451	3.6
313.18042	5.1
325.25342	6.5
335.23874	7.2
343.26398	11.3
353.24707	31.0
371.25812	42.5
389.26813	100.0
390.27222	7.9
407.26282	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.37105	2.3
53.61337	2.5
54.58792	2.8
55.05500	17.0
57.07064	9.2
58.52666	2.8
63.57290	2.8
67.05513	23.3
69.07059	36.6
69.10593	19.9
71.08612	3.1
79.05476	18.6
81.07053	99.0
83.08609	12.4
89.06020	4.5
91.05476	13.7
93.07030	36.0
95.04983	3.4
95.08602	64.2
96.08915	3.4
97.10151	8.5
105.07024	34.1
107.08590	43.0
108.76535	2.6
109.10149	43.1
117.06953	4.2
119.08562	37.6
121.10140	31.2
123.11712	21.9
131.08572	13.3
133.10083	25.9
135.11668	21.0
137.13219	7.7
143.08562	5.0
144.09360	2.9
145.10066	24.2
147.11681	23.0
149.13255	18.2
151.14868	4.1
155.08359	3.2
157.10091	10.7
159.11659	27.0
161.13268	25.4
163.14845	12.5
171.11641	6.3
173.13304	17.8
175.14789	15.6
177.16385	5.1
185.13278	7.4
187.14827	16.5
189.16368	9.8
191.17865	4.0
197.13170	5.2
199.14850	8.9
201.16447	10.2
203.17923	6.2
213.16400	10.0
214.37404	3.0
215.17928	9.2
217.19533	4.8
226.15102	2.9
227.17950	3.6
229.19495	9.2
243.21133	5.7
255.21065	3.5
266.35413	3.3
269.22647	5.3
275.67349	3.5
283.24173	6.3
295.24167	3.0
297.25851	3.2
325.28659	3.1
337.28922	3.4
350.34567	2.9
351.30545	3.9
382.91150	3.3
407.36688	100.0
408.37030	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	408.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.71458	0.1
57.50702	0.1
69.64761	0.1
71.42235	0.1
74.63415	0.1
81.07028	0.1
83.08630	0.2
84.08134	0.2
88.07619	0.1
91.05476	0.3
95.08631	0.1
97.80076	0.1
105.07025	0.2
106.21743	0.1
116.01646	0.3
116.04968	0.1
117.05744	0.8
121.06459	0.1
122.65345	0.1
130.93167	0.1
131.07304	0.2
132.08073	0.4
142.06474	0.1
151.07565	0.3
152.99057	0.1
160.07567	100.0
161.07916	2.9
162.02184	0.5
173.15953	0.1
186.05164	0.2
246.23746	0.1
253.74030	0.1
262.11118	0.2
323.11151	0.1
354.95517	0.1
365.12021	1.3
408.12891	2.8
408.27328	0.1
409.10974	4.8
409.22134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30837	2.7
53.16447	3.0
63.52205	2.9
67.05492	12.0
69.03444	3.2
71.42191	3.4
71.93758	2.7
73.02923	3.0
79.05511	8.1
80.35567	2.8
81.03408	7.8
81.07064	18.5
85.02925	5.0
89.73865	3.1
91.05477	4.8
93.07043	12.1
95.04982	3.3
95.08595	38.5
97.06548	4.0
105.07030	25.5
107.04994	4.4
107.08583	15.5
109.06522	40.2
123.08058	43.5
125.05914	3.6
133.06465	14.5
151.07545	100.0
160.07600	8.0
169.08592	40.2
186.05238	5.0
211.09645	65.6
294.09229	4.2
408.13828	4.6
408.27347	4.8
409.10922	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49947	0.6
55.05503	1.5
67.05503	6.6
69.03415	4.0
70.60938	0.7
70.61259	0.8
73.02905	0.6
73.35978	0.6
79.05482	3.4
81.03403	2.4
81.07054	9.1
83.04984	1.5
85.02899	3.8
89.84682	0.6
91.05475	2.1
93.07028	6.1
95.04959	1.4
95.08604	22.8
97.02894	1.2
103.05492	0.8
105.06355	1.0
105.07027	13.5
107.04948	1.4
108.05740	1.2
109.02939	0.8
109.06531	3.7
120.07037	0.5
123.08064	54.0
125.05959	2.0
126.44163	0.7
127.03922	1.2
133.06490	9.1
145.04948	1.3
151.07535	100.0
152.07875	3.1
160.07567	12.6
163.05956	0.7
169.08601	1.7
173.04385	0.7
180.08623	0.7
191.05597	0.8
211.09653	5.9
409.10956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96651	1.2
63.33513	1.0
67.05494	3.5
75.14449	0.9
79.05486	6.6
81.07056	1.4
85.02869	1.2
91.05466	5.4
95.08595	7.4
97.13035	1.0
103.05450	1.1
105.07025	15.4
107.08592	6.6
109.06535	2.4
123.08076	5.7
133.06483	14.2
151.07526	100.0
152.07863	2.4
163.87250	1.0
167.38303	1.0
213.74559	1.0
315.46112	1.1
329.23703	1.1
348.89063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05498	1.6
57.03428	2.1
59.04973	1.3
59.12195	0.8
61.02918	1.2
63.42514	0.7
67.05501	3.9
67.16873	0.7
68.99768	1.0
69.03076	0.9
69.03426	13.3
69.07041	1.1
70.06601	1.1
71.08628	32.9
73.62035	0.8
79.05475	0.8
81.07061	1.3
85.02875	1.0
87.00815	4.4
87.04457	1.5
90.89037	0.7
95.04936	0.8
97.02885	46.1
98.03258	0.9
98.22525	0.7
99.08088	43.3
101.02367	2.8
105.01855	2.0
107.04955	0.9
109.10151	1.8
113.02345	1.3
115.03923	1.7
118.06518	1.0
121.39588	0.9
125.02333	12.4
127.11185	46.1
129.01851	1.2
132.32762	0.8
143.03395	7.4
145.12224	100.0
146.12509	2.0
160.11194	1.0
161.04453	2.0
162.09122	2.2
165.73654	0.8
176.10756	1.8
184.33093	0.7
190.12276	3.0
229.03557	1.2
247.04440	2.2
252.44739	0.8
272.20099	4.7
272.22787	0.7
278.77899	0.9
290.21271	1.0
298.72302	0.9
334.23669	14.4
343.67096	0.7
408.27426	31.7
409.27716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.07058	1.8
67.05495	2.1
69.07063	21.8
70.13748	0.8
71.43326	0.9
75.71083	0.8
83.04967	2.0
84.98622	0.9
91.05509	0.9
100.83974	0.9
105.07039	4.2
111.11678	1.7
112.02203	1.2
112.03922	0.9
113.00022	1.3
114.05525	17.2
125.02342	3.7
126.00102	7.9
126.05478	4.7
127.00856	4.8
128.01645	5.9
140.01637	32.0
143.03423	2.8
144.01093	2.5
145.02618	1.3
151.07553	1.4
153.06595	9.1
154.03209	6.6
154.04977	100.0
155.05339	2.2
167.04015	0.9
168.04784	16.0
174.21658	0.8
182.06349	14.3
183.10106	1.1
186.05228	2.1
196.07870	6.9
206.08076	0.8
220.11571	2.6
238.12584	73.6
239.12996	3.9
255.15298	6.8
256.13522	4.1
267.15244	19.8
268.15567	1.7
295.14746	5.3
337.15723	0.9
357.15536	0.9
379.16934	6.4
390.18445	21.2
391.16647	4.4
396.24295	1.0
408.19479	86.4
409.19641	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	408.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55533	2.4
55.01872	6.1
55.05504	4.9
57.03436	3.8
58.99570	4.1
60.75771	2.3
61.02921	3.2
65.27978	2.2
67.05485	8.9
69.03415	4.0
69.07067	7.7
70.06601	19.7
70.67766	4.3
73.90359	2.5
79.05491	21.3
80.84531	2.8
81.03407	4.1
81.07053	36.9
83.04975	3.6
83.08600	3.8
85.02920	6.7
91.05479	10.7
93.07034	5.3
95.04945	2.7
95.08611	10.2
97.02858	3.5
97.06466	3.9
105.07033	14.1
107.08631	6.2
108.08147	3.0
116.01720	3.6
119.08575	11.2
120.08118	5.4
121.10123	17.4
121.16859	2.7
122.09718	6.2
123.11707	17.1
131.08521	3.0
147.02890	2.9
147.11682	35.3
148.31114	3.1
150.12772	83.7
160.79256	2.9
162.09103	5.9
165.12747	34.3
176.10669	2.6
176.13991	2.6
183.13777	11.7
186.05313	3.3
190.12160	3.2
229.14343	88.2
230.14674	5.3
233.52280	3.0
239.53423	3.0
272.19968	5.6
334.23822	8.4
405.83084	2.8
408.22998	100.0
408.27606	21.6
409.23392	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	408.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01867	9.7
55.05512	4.9
57.03429	6.8
61.02923	4.3
67.05502	4.0
68.99776	5.2
69.03425	40.5
69.07055	3.5
69.97633	4.9
69.97961	6.1
70.06576	5.1
73.02911	6.1
73.06551	3.2
79.04990	3.6
81.03403	22.8
83.08617	3.3
85.02902	100.0
87.00837	37.8
95.08572	3.8
97.02898	30.6
98.22785	4.8
99.04457	11.3
100.11253	9.2
105.01863	54.3
109.02880	22.1
121.27687	3.1
127.03916	59.2
129.01863	3.6
145.02623	3.6
145.04973	30.2
151.07581	8.1
159.02922	16.3
182.15456	6.9
186.05261	9.5
199.18024	2.9
201.22176	3.1
210.14842	5.8
231.05057	19.1
309.21713	3.0
408.27121	4.1
408.32236	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05495	3.5
55.57836	0.6
55.58117	0.6
57.03428	6.6
67.05489	1.6
68.99773	0.9
69.03419	11.3
69.07059	15.8
71.04986	1.2
73.02893	0.7
80.74795	0.6
81.03410	9.7
81.07040	1.4
83.04969	0.9
85.02888	13.0
87.00811	2.6
91.05473	1.1
93.07040	0.7
95.04968	1.7
95.08591	0.9
97.02879	13.1
99.04428	4.8
101.02367	36.0
102.02637	0.8
105.06998	0.9
107.08602	0.8
108.04474	1.6
109.02865	11.9
109.10218	0.8
111.11703	1.4
119.03398	100.0
120.03725	1.1
126.05486	0.8
127.03901	18.9
131.03378	2.6
133.10141	1.0
135.08054	0.9
144.76349	0.6
145.04929	6.8
145.10066	0.9
161.04477	1.7
161.09752	0.8
173.04424	3.5
173.13202	0.9
186.05293	1.3
191.14240	0.7
213.22632	0.7
219.22401	0.7
227.05434	1.4
245.06544	8.0
263.07602	2.9
270.13095	0.7
313.17792	1.3
336.97031	0.6
354.80756	0.7
408.23239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2315
Annotation	Pinnarine
Peak:m/z	Relative Intensity
53.03930	0.7
55.01860	0.8
55.05502	0.7
56.05008	0.3
58.99586	0.8
65.03916	0.8
67.05484	1.2
68.05005	0.5
69.08659	0.3
69.10214	0.9
69.10633	1.2
70.06589	14.4
70.09390	0.3
71.78112	0.3
76.02184	0.3
79.05040	0.6
79.05488	9.6
80.04997	0.5
81.03428	0.4
81.07057	4.6
84.04498	0.6
85.01097	0.5
86.00642	0.8
87.02678	0.7
91.05480	1.0
92.41877	0.3
93.07028	1.1
94.06554	0.9
95.04948	1.1
95.08592	0.8
96.08143	0.4
97.02905	0.4
97.06516	0.3
98.23428	0.9
103.66591	0.3
105.04514	0.4
105.07017	1.4
106.06569	0.5
107.08569	0.7
108.08079	1.7
109.10152	0.3
112.03918	0.7
113.04179	0.4
116.01646	1.3
118.06524	0.4
119.08568	1.1
120.08115	3.0
121.08944	0.4
121.10139	0.4
122.09659	5.0
123.09971	0.3
126.03738	0.4
128.05286	0.8
130.05069	0.4
133.10106	0.6
134.09634	1.1
135.10417	0.9
136.11195	0.6
143.02733	0.7
144.01178	0.5
146.09616	0.5
147.09158	1.9
148.09853	0.3
148.11211	1.1
149.10751	0.4
150.12772	64.7
151.13101	2.1
153.40344	0.3
160.11238	0.4
161.13290	0.6
170.63661	0.4
174.12767	0.5
176.14317	1.2
177.13757	0.8
178.15953	0.4
183.05829	0.4
203.15572	0.5
216.06897	0.4
217.17006	1.4
220.20714	0.4
229.06454	0.6
230.19119	0.8
258.85754	0.3
273.95294	0.4
299.05536	0.6
305.20447	0.4
312.58911	0.4
329.10287	0.9
332.23190	0.3
338.15201	0.4
339.17386	1.3
351.21164	0.8
362.22607	2.1
377.19135	0.4
408.23117	100.0
409.18121	0.9
409.23312	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	408.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
53.74543	4.0
55.01867	5.3
57.03438	17.8
67.05510	24.4
69.03424	12.5
69.07077	29.0
70.06590	4.9
71.04997	4.3
75.21826	4.0
79.05497	10.5
81.03422	51.2
81.07073	13.2
83.04984	5.6
83.08611	3.9
85.02912	9.0
85.84615	3.6
87.00805	3.5
91.05480	10.3
93.07046	11.6
95.04971	69.5
95.08611	18.4
97.02863	4.2
97.06525	39.9
99.04432	4.9
105.07033	24.8
107.04953	4.8
107.08603	19.5
109.02883	8.1
109.06530	25.5
109.10145	35.9
117.07013	7.2
119.08558	22.1
121.06499	13.0
121.10145	14.5
123.04420	19.4
123.08071	53.1
123.11668	8.9
125.09629	6.8
127.03902	5.0
131.08577	16.2
133.06517	7.9
133.10133	22.2
135.08076	26.6
135.11708	11.6
137.09628	9.9
139.07533	4.3
142.07770	6.4
143.08585	15.3
145.06502	9.2
145.10149	14.4
147.08072	9.6
147.11711	9.3
149.09641	11.0
151.04260	4.1
151.07579	18.1
151.11198	26.6
155.08531	4.8
156.09331	5.0
157.10124	17.0
158.10892	7.6
159.08093	5.9
159.11696	13.6
161.09612	21.8
161.13257	9.8
163.11195	5.1
163.14725	4.8
166.71756	3.9
169.10175	7.2
171.11757	12.3
173.09618	12.5
173.13232	25.7
175.07553	6.6
175.11253	12.0
177.09129	4.8
179.10683	34.5
183.08026	5.1
183.11792	5.3
185.09659	13.7
185.13274	10.1
186.05341	6.3
187.11139	6.6
189.09048	4.5
189.11125	3.8
189.12756	14.6
191.10680	4.5
191.14301	82.0
191.15942	5.4
193.12189	4.5
195.11757	6.1
197.09688	8.4
197.13298	4.7
199.11136	10.2
199.14790	4.6
201.12766	11.3
203.10699	6.6
205.12265	13.0
209.13335	6.9
209.15341	48.5
211.11143	7.6
213.12759	10.6
217.12311	4.2
219.13805	21.6
219.39760	3.9
227.14117	5.7
229.15715	5.2
230.05254	4.1
231.13785	9.6
239.14311	8.7
245.15398	6.6
245.37373	4.9
257.15369	9.4
267.17468	8.2
269.15369	9.9
285.18530	9.0
287.16440	9.6
295.16980	15.4
305.17459	11.7
313.17981	100.0
314.18219	8.5
331.19028	56.3
365.19650	8.2
391.21274	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	408.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83886	8.6
54.48902	7.9
55.01867	11.0
67.05486	19.8
69.55879	32.4
73.68306	7.5
75.20864	7.9
79.05468	12.7
81.03422	41.3
81.07054	16.4
83.04981	11.4
93.07042	19.8
95.04963	55.1
95.08604	15.3
97.06511	7.9
105.07021	27.1
107.08570	10.3
109.06526	12.7
115.44824	9.0
119.08574	13.9
121.06493	8.3
123.08029	20.1
124.02066	8.7
127.71730	8.2
131.08522	22.8
133.10144	27.5
143.08508	13.9
151.96849	9.1
155.92041	8.2
159.11691	14.3
161.09566	9.6
163.03886	15.2
172.95210	9.3
173.09590	15.8
182.14545	9.7
185.09546	9.9
187.11336	10.0
201.12534	7.7
207.06366	9.0
275.20038	22.4
282.94867	7.4
289.14362	19.6
292.30035	9.4
313.18045	21.3
331.18973	64.9
349.20279	16.6
408.27417	17.2
409.25668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2381
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
55.01866	0.5
57.03441	1.0
58.02681	0.2
62.41106	0.2
65.03932	0.2
67.05502	1.0
68.05026	6.5
69.03423	0.3
69.07062	0.2
74.36073	0.2
78.47596	0.2
79.05502	0.2
80.05013	0.2
81.07040	0.3
82.06580	0.4
83.04951	0.4
84.04502	0.4
84.08124	0.2
86.09695	0.5
87.04484	0.3
91.05439	0.3
93.07002	0.3
94.06564	0.3
95.04967	0.5
95.08591	0.3
96.04487	25.5
97.04819	0.4
105.07020	0.5
107.08589	0.4
108.08099	0.6
109.06525	0.2
109.10162	0.7
110.06037	0.9
110.06726	0.2
112.07593	0.7
119.08573	0.6
120.08087	0.7
121.10121	0.4
122.06030	2.9
123.08068	0.3
126.09105	0.6
127.11148	1.1
131.08574	0.4
133.10118	0.7
136.07571	1.1
137.09648	0.3
138.05437	0.2
140.07053	100.0
141.07396	1.8
143.08585	0.3
145.10133	0.3
147.08061	0.5
147.11699	0.3
149.09595	0.2
151.11153	0.6
154.08629	2.0
157.10121	0.3
159.11716	0.3
161.09642	0.5
161.13248	0.3
163.11128	0.3
164.07068	0.2
166.08658	0.5
171.11580	0.2
175.11095	0.2
176.11807	0.2
177.12692	0.3
179.10660	1.2
182.08151	1.0
189.12747	0.5
191.14395	0.4
219.13782	0.4
245.15405	0.6
263.16443	3.4
264.16861	0.3
298.18045	0.4
298.23129	0.2
316.19092	0.4
334.20163	1.0
354.20636	0.8
372.21655	2.8
390.22733	12.5
391.23111	1.0
408.23779	8.1
409.23959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05494	0.6
56.05022	0.4
57.03419	1.1
63.87442	0.3
67.05500	1.6
67.53774	0.3
68.05028	7.4
69.03448	0.7
69.07056	0.4
69.40331	1.7
70.06593	0.8
72.04504	0.7
74.06078	0.4
79.05474	0.5
81.03367	0.3
81.07038	1.1
82.06528	0.4
83.04964	0.7
84.08130	0.4
85.02890	0.7
86.09715	0.3
87.04469	0.7
91.05478	0.8
93.07030	1.4
93.55045	0.3
94.06558	1.2
95.04974	0.7
95.08603	0.7
96.04491	31.1
97.02929	0.4
97.04784	0.4
97.06509	0.5
98.75922	0.3
105.07024	1.5
107.08576	1.2
108.08107	0.7
109.02836	0.3
109.06512	0.5
109.10166	2.8
110.06036	1.4
112.07605	1.4
117.07027	0.4
119.08565	1.5
120.08125	0.6
121.10226	0.7
122.06029	4.8
123.08062	0.6
123.11681	0.7
124.07599	0.3
126.05513	0.8
126.09107	0.5
131.08589	0.6
133.10135	1.6
135.08043	1.1
135.11653	0.3
136.07590	1.7
137.09663	0.6
139.11197	0.3
140.07060	100.0
141.07442	2.3
141.12740	0.3
143.08495	0.4
145.10069	0.9
147.08035	0.7
147.11702	0.7
149.06001	0.3
149.09618	0.7
151.11142	2.1
154.08575	2.2
157.10173	0.5
159.11722	0.9
161.09579	1.7
161.13245	0.5
163.11160	0.5
164.07047	0.6
169.10274	0.4
170.10835	0.3
171.11661	0.9
173.13200	0.6
175.11205	0.8
177.09082	0.3
177.12805	0.4
179.10649	3.6
182.08145	1.4
185.13223	0.6
186.05380	0.4
187.11148	0.6
189.09167	0.4
189.12685	0.6
191.14346	1.1
201.12524	0.3
203.04352	0.3
203.14294	0.5
210.69292	0.3
215.14099	0.3
219.13773	0.6
231.92282	0.3
245.15375	2.5
257.15378	0.5
263.16440	5.4
266.13995	0.4
303.15643	0.4
334.20160	0.7
354.20847	0.5
366.15393	0.4
372.21713	3.0
373.22061	0.4
390.22769	21.1
391.23187	1.7
408.23834	16.1
409.24054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.4
57.03423	10.2
65.03869	6.4
67.05502	31.6
67.95399	6.6
69.03409	10.8
69.07067	6.9
69.12751	5.9
71.87383	7.1
72.58587	6.4
79.05489	19.2
81.03420	65.4
81.07047	34.2
83.04951	11.0
84.08125	19.9
85.06472	5.8
91.05478	23.5
93.07042	31.3
95.04960	81.6
95.08606	28.6
97.06520	9.3
105.07026	49.7
107.08617	20.9
109.06491	16.6
109.10156	20.8
116.89159	7.3
117.07021	13.6
119.08585	47.2
121.06521	15.0
121.10121	17.6
123.04443	10.6
123.08047	24.8
123.11700	21.6
131.08577	16.2
133.06506	10.9
133.10109	59.6
135.08063	42.3
135.11719	14.7
137.09682	7.4
142.07784	7.7
143.08542	10.1
145.06502	12.3
145.10114	20.5
147.08020	14.5
147.11707	16.2
149.06052	7.5
149.09592	8.2
151.07541	9.0
156.53383	6.9
157.10159	25.9
159.11748	13.2
161.09579	42.0
163.07542	100.0
163.11208	12.1
165.09145	8.0
169.06287	8.0
169.10135	16.2
171.11656	14.6
171.73346	6.6
173.09608	16.5
173.13242	20.7
175.11191	14.4
177.09213	6.6
179.07039	7.9
185.09570	10.4
185.13242	14.2
186.05284	17.3
187.11189	8.0
189.12753	19.4
191.14304	29.7
195.11754	11.2
197.09586	9.6
199.11218	7.6
201.12759	9.7
213.12784	10.8
221.15321	13.3
239.14301	9.5
249.18883	6.4
267.17227	16.2
269.15262	8.5
275.20074	10.1
285.18457	29.8
295.16873	22.7
313.17993	55.4
331.18893	8.2
349.18732	7.2
363.06042	8.0
408.24341	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.3
55.62284	5.7
55.82193	5.6
57.03434	10.3
67.05502	22.3
69.03432	6.5
69.07091	7.8
70.01600	6.3
70.01941	17.4
79.05496	10.1
81.03402	48.8
81.07041	32.4
83.05022	8.4
91.05492	17.8
93.00413	6.1
93.07056	15.6
95.04967	91.9
95.08590	36.4
96.94106	5.9
98.23454	6.9
105.07034	21.6
107.08598	14.9
109.06521	17.9
109.10171	23.1
115.05445	7.1
115.64713	6.6
121.06514	14.2
121.10158	17.1
123.04419	32.9
123.08051	31.1
123.11694	46.3
124.40027	7.1
129.07031	7.5
131.08545	8.6
133.10155	9.6
135.08116	18.6
135.11700	9.6
137.13237	16.3
145.10146	8.8
147.07994	5.9
159.08047	9.6
161.09610	10.5
161.13237	6.5
165.12796	19.9
167.64626	6.7
186.05249	15.6
191.14334	8.6
205.15901	28.1
213.23587	7.2
237.90790	6.6
265.85516	6.1
281.18912	15.0
299.20114	100.0
317.21057	70.3
390.27148	7.7
408.27881	6.5
426.37381	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	408.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.5
57.03426	6.6
57.07060	5.3
57.50379	6.0
59.13433	5.8
65.74260	5.8
67.05501	19.5
69.03423	6.2
69.07058	15.0
79.05457	5.4
81.03418	58.4
81.07047	25.1
83.08627	10.7
91.05495	6.6
93.07058	14.3
93.60226	5.1
95.04974	100.0
95.05548	4.3
95.08601	21.4
95.68525	4.5
99.08101	6.0
105.07014	14.0
107.08589	14.1
109.06521	13.9
109.10172	21.5
119.08559	18.6
121.06530	9.8
121.10126	15.2
123.04451	34.9
123.08083	26.6
123.11710	51.9
131.08614	5.3
133.10144	12.2
135.08002	9.4
137.13255	15.4
145.06389	6.7
147.11707	5.5
149.09599	6.7
149.13249	5.2
151.07532	5.3
161.09627	10.2
165.12732	23.0
171.23686	4.6
173.60973	4.7
177.09215	4.8
177.16415	13.8
179.95166	6.3
186.05286	10.1
187.14845	5.5
201.12801	5.2
204.16858	5.2
205.15880	43.7
217.15784	8.3
229.00000	5.0
243.17430	6.2
271.20538	9.5
281.19089	13.4
299.20016	96.9
316.23010	6.4
317.21097	84.8
318.21271	8.7
408.26926	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	409.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43147	0.4
56.96549	1.4
57.44563	0.5
58.99856	1.8
63.02386	0.6
69.03390	0.7
70.06615	0.8
77.00903	1.8
77.57769	0.5
84.08129	2.3
86.09701	0.6
89.03912	9.1
91.05459	2.1
94.12721	0.6
95.04982	0.7
98.97576	2.1
101.00882	1.4
103.05469	0.8
113.00843	0.6
115.02435	1.7
116.98608	0.7
117.03378	25.0
118.03651	0.9
119.01917	3.2
119.04930	2.5
120.08118	0.7
121.06544	0.6
129.10260	0.7
131.01915	3.3
131.04909	0.6
133.03461	1.6
134.03615	2.2
134.06036	0.6
135.04414	1.7
137.02948	0.6
143.01909	1.1
145.02827	70.1
146.03180	2.7
147.04373	5.9
149.05963	8.3
151.79160	0.5
155.01833	0.8
156.97426	0.6
157.01643	1.1
161.02888	1.3
163.02638	0.7
163.03851	1.3
163.07474	0.7
166.08394	0.7
169.03357	0.6
171.01352	1.2
173.02933	0.9
175.02711	1.4
177.05457	100.0
178.05806	4.2
181.04915	0.6
185.08369	0.6
186.05263	3.0
187.00922	0.7
189.02454	1.0
192.02643	3.0
193.03423	0.8
194.04230	6.1
197.00587	0.9
197.02856	0.6
199.03667	8.0
203.02100	0.6
204.02669	0.8
205.03458	3.3
206.04262	0.9
207.05000	1.0
209.06596	1.4
210.03632	0.9
212.05376	2.7
215.01839	0.8
217.03435	4.7
219.01843	2.4
220.02153	11.8
221.02988	9.5
222.03464	0.9
223.04539	3.3
227.07603	1.2
232.98260	0.6
233.02768	11.9
234.03725	3.2
235.04492	22.9
236.04712	2.1
237.00652	1.3
237.02881	1.3
238.03204	8.1
239.03851	2.4
244.02104	2.7
245.03024	1.5
247.04689	1.8
251.02444	1.3
252.04756	0.9
253.05638	5.6
255.01889	1.1
256.02084	2.0
259.00180	1.1
259.04498	17.6
259.99969	0.7
260.04782	1.4
261.03015	3.6
261.06049	1.7
262.03223	11.9
263.03674	2.6
264.04749	0.6
265.05695	0.7
270.03586	0.7
271.04453	1.6
271.06802	8.7
272.06863	0.8
273.02524	1.8
273.06000	1.5
274.03091	0.8
275.03873	1.2
277.01056	0.9
277.05569	11.7
278.05893	1.3
279.07288	0.9
280.04108	0.8
282.99979	0.8
285.00854	0.9
285.05823	1.2
287.04080	3.4
289.05508	2.3
291.03452	3.4
291.06796	1.2
293.05060	4.0
295.06610	33.2
296.06873	2.2
299.03812	5.4
301.00977	1.9
302.01111	0.8
303.07071	0.7
303.11041	2.0
305.05051	1.6
309.08264	1.8
311.06281	0.8
313.07626	7.2
317.04907	4.0
319.06534	1.0
321.08377	1.3
321.12155	1.6
323.06277	1.1
325.07529	0.6
326.00296	0.9
329.04916	0.8
335.06012	3.7
337.07593	0.7
345.04480	1.3
349.07767	2.4
353.07028	2.3
367.09100	0.7
373.03986	1.8
381.06552	1.9
386.03311	1.1
391.05078	7.3
392.05182	1.3
404.03174	1.4
409.01675	0.7
409.06790	5.6
427.07312	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57413	2.0
89.03896	11.8
90.45811	1.3
117.03366	36.7
118.03777	1.4
121.01765	1.4
134.03606	2.3
135.04440	2.1
145.02827	86.8
146.03229	2.7
147.04468	1.5
149.05959	12.6
177.05453	100.0
178.05798	3.0
186.05219	1.6
199.03639	64.6
200.03906	2.9
215.01611	5.3
220.02109	2.2
221.03040	1.9
231.32159	1.4
233.02661	99.9
234.02980	1.3
235.04485	4.2
238.03223	1.4
253.05531	2.0
253.79156	1.5
259.04556	4.7
262.03302	2.4
271.06812	1.7
277.05548	2.3
278.63040	1.3
295.06686	7.7
313.07669	1.8
349.08194	2.6
354.23929	1.3
391.06277	3.8
409.07309	36.8
410.07663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05259	1.1
55.05508	12.5
56.05035	3.0
56.05840	3.1
57.03429	1.2
57.05362	0.9
58.99584	10.1
60.99164	2.3
69.07049	4.3
69.07456	2.2
69.29549	0.7
72.58530	0.7
73.01115	1.3
76.02249	4.6
76.02623	0.8
76.03992	1.8
77.85671	0.8
78.01808	4.9
79.05493	1.6
81.07046	6.8
82.07385	2.5
83.06079	1.2
83.08615	16.3
84.04498	14.5
84.08138	1.6
84.08949	3.5
85.04832	3.0
86.09702	1.3
86.99043	5.0
87.99371	0.7
88.00215	0.8
88.02218	1.1
88.98621	1.7
89.02255	0.7
91.05465	1.0
93.07009	1.1
94.06573	1.2
95.04989	0.9
95.08601	1.2
98.09678	2.4
99.08083	1.3
99.10059	1.1
101.09673	1.3
102.05547	1.3
105.16093	0.9
112.07602	1.9
113.04198	1.3
116.01668	23.0
117.02051	3.9
118.01248	5.7
119.01600	1.3
120.08089	1.7
123.11638	0.7
126.09154	0.9
129.06573	1.8
129.07423	1.1
130.04938	3.9
132.06378	1.1
142.03221	1.9
144.01135	9.8
145.01390	2.6
145.02541	1.0
145.06090	0.7
146.00769	1.4
148.11282	0.8
152.10675	1.6
156.10161	0.7
157.08829	1.0
157.10515	0.7
158.08011	2.0
159.06377	1.4
159.08386	12.5
160.06766	1.0
160.08688	5.8
162.02188	36.0
163.02539	10.2
164.01764	5.4
165.02168	0.8
176.09047	1.1
176.11090	1.2
178.12300	0.8
185.04210	2.9
186.05234	2.2
216.17525	1.0
232.08018	0.7
234.18564	2.2
247.05679	1.9
259.11221	2.6
260.11475	4.0
261.10669	8.5
262.11063	23.8
263.11438	12.1
271.04169	1.3
278.17499	20.9
279.13776	3.1
280.14038	3.3
316.12143	0.8
323.11050	3.9
334.14874	1.8
365.12048	32.7
366.12476	1.2
409.11050	100.0
410.11343	6.2
410.17834	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1369
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
63.02367	0.4
69.13934	1.8
69.14346	0.6
71.95850	0.3
75.02340	0.4
79.05479	0.5
84.04494	1.0
89.03919	3.8
90.04678	1.1
91.05479	5.1
99.03466	0.4
101.01994	0.5
103.05463	0.6
105.07027	2.7
109.06487	0.4
115.04208	0.4
115.05444	0.4
116.04983	24.0
117.05793	4.9
117.71198	0.4
118.06541	4.3
119.04925	1.5
123.03546	0.4
129.06639	0.5
130.04967	1.2
130.06519	3.6
131.07307	18.3
132.04471	2.7
132.08109	9.0
134.06017	5.2
145.02600	37.4
146.02934	1.0
146.06001	9.1
147.06743	1.9
148.07552	0.7
157.07732	0.4
159.04189	0.5
161.04758	2.0
162.09108	1.3
163.03668	1.4
171.85960	0.3
173.03218	8.3
174.05507	0.4
175.06300	1.1
178.08633	0.7
186.05257	100.0
187.05608	3.0
206.08124	20.5
207.08434	0.7
251.03416	0.3
337.40894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
66.44511	0.6
67.05514	2.8
69.03416	1.0
69.07055	1.3
70.06580	0.6
70.61699	1.1
70.62048	0.7
73.17864	0.6
79.05473	1.7
81.03376	1.1
81.07030	2.7
83.04972	0.6
83.08618	0.6
86.14355	0.6
88.07572	0.6
91.05448	2.1
93.07013	1.5
95.04956	1.2
95.08598	1.3
97.06515	1.6
105.07018	1.8
105.86053	0.6
107.04910	0.7
107.08562	1.4
109.06491	1.6
111.04479	0.7
116.04912	0.7
117.06977	0.8
119.08576	1.7
121.10209	1.1
123.08036	0.8
131.08540	0.8
133.10123	1.7
135.08046	1.3
145.02631	1.4
145.10051	0.6
147.04428	0.7
149.02309	0.9
149.09599	1.0
149.13295	0.8
171.11664	0.7
173.09650	0.6
185.04195	6.0
186.05229	3.4
191.14297	0.6
193.05052	1.0
200.20151	1.4
206.08134	1.0
209.00739	0.6
237.07582	1.1
247.13043	100.0
247.96220	0.5
248.11139	0.6
248.13324	4.3
275.20062	3.9
314.18298	0.9
409.18283	65.4
410.18973	2.9
410.24683	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	409.222
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
52.80623	11.4
53.03940	13.0
54.54900	12.3
57.03433	28.4
67.05488	22.7
69.21231	44.4
69.21634	30.5
74.56458	13.6
76.84817	12.0
79.05511	23.5
81.03417	100.0
88.03220	11.4
89.50250	14.1
95.04980	54.7
107.08598	23.1
109.06507	12.6
109.10164	15.5
110.34725	12.2
121.10082	27.4
123.08048	16.5
131.08533	14.3
132.59810	12.9
133.10085	29.8
135.08051	17.3
145.06450	15.7
173.13312	26.6
186.05280	24.3
189.09109	16.4
191.14316	58.2
289.14554	24.9
295.16919	13.7
333.20621	48.6
349.20096	23.4
377.99323	13.1
409.25363	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	409.2221
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
53.03942	1.3
55.01874	3.0
55.05510	11.4
57.03444	1.6
57.07094	1.1
64.65710	0.8
65.03944	1.7
67.05501	16.8
67.05823	1.5
69.03416	1.7
69.07063	9.6
71.05011	1.1
71.18958	0.9
79.05492	17.3
81.07058	19.6
81.07514	1.7
83.04972	6.7
83.08634	3.2
91.05476	18.5
91.05988	1.7
93.07042	23.4
95.04970	8.2
95.08599	13.9
97.06548	2.7
97.10190	1.7
98.05358	0.9
103.05417	0.9
105.07024	22.3
106.07323	1.0
107.04954	6.3
107.08582	11.6
108.76099	0.9
109.06527	7.8
109.10143	5.9
111.08108	1.3
115.05505	1.1
117.07010	6.7
119.08563	12.3
119.09286	1.0
121.06511	7.3
121.10134	6.7
123.08079	4.7
123.11742	1.3
126.44972	1.0
129.07050	2.7
131.08563	12.9
133.06470	2.0
133.10121	13.3
135.08081	3.5
135.11742	3.5
137.09665	2.7
141.07050	1.5
143.08614	2.9
145.02635	1.6
145.06522	1.2
145.10115	10.9
147.08105	3.3
147.11682	9.8
149.09604	4.6
149.13295	2.9
151.11226	4.1
155.08601	1.4
157.10233	3.0
159.08076	2.3
159.11687	6.2
161.09659	3.6
161.13252	1.5
163.11226	3.9
168.67445	1.0
169.10199	1.5
171.11731	2.1
173.09663	2.5
173.13293	4.1
175.11266	4.0
175.14749	1.0
177.12769	2.3
183.11768	2.0
185.13286	1.6
186.05165	2.3
187.11240	2.6
187.14917	1.6
188.99562	1.0
191.14381	2.4
197.13339	1.7
199.14874	1.0
201.12843	3.6
205.19667	1.2
207.13852	2.9
215.17998	2.0
219.13878	3.8
229.19601	2.6
233.15475	1.0
239.18045	1.8
247.20607	2.1
257.18988	15.5
275.20053	100.0
276.20392	6.8
293.21118	6.6
299.23615	1.1
315.19373	1.2
332.19479	1.3
391.21164	5.0
409.25781	90.6
410.26175	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	409.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97333	3.2
53.03942	3.6
55.01875	8.9
55.05256	4.7
55.05510	53.3
57.03451	4.5
59.04995	4.0
67.05503	53.2
69.07066	13.9
71.05010	3.5
71.43218	3.5
79.05489	100.0
81.07047	38.9
83.04980	29.2
83.08625	13.5
91.05467	42.0
93.07050	50.0
95.04955	14.8
95.08626	20.3
97.10181	20.2
105.07037	39.0
107.04960	41.4
107.08589	63.8
109.06591	3.0
109.10149	25.0
111.08090	6.8
116.05032	4.9
117.07006	17.8
119.08588	31.5
121.06473	3.7
121.10105	17.0
123.08042	4.4
123.11702	8.1
125.09623	33.0
131.07414	4.6
131.08569	13.1
133.10123	25.4
135.08057	11.9
135.11714	7.0
145.02625	6.3
145.10147	17.5
147.11708	19.1
149.09613	75.9
153.09062	5.6
157.10104	5.7
159.11714	12.0
161.13275	7.8
163.14801	4.7
169.12292	6.5
173.11800	7.1
173.13272	8.6
181.15742	4.0
186.05280	23.1
187.11147	4.8
187.13272	5.4
189.11211	10.6
206.08130	9.1
209.15390	9.2
215.17970	3.5
221.15468	4.3
229.19540	5.3
239.17934	3.7
257.18982	27.4
275.20050	90.9
276.20276	4.1
287.11200	27.0
409.26743	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	29.3
79.05488	30.0
81.07046	45.0
91.05467	24.5
93.07023	32.2
95.04951	43.8
95.08614	31.2
98.23534	23.2
105.07018	47.7
107.08584	23.8
108.24940	12.6
109.06512	39.3
116.04957	15.6
119.08550	23.2
121.06471	18.4
121.10089	20.1
130.06456	13.4
131.07339	13.4
132.08026	15.8
145.02618	38.8
145.10196	20.5
159.11690	15.4
165.12766	30.2
186.05232	100.0
187.05682	12.8
206.08128	41.9
213.46025	13.0
221.15433	20.4
317.24811	67.3
317.28143	14.4
335.18958	20.9
377.72659	14.2
409.23239	31.1
409.28958	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
54.28639	1.8
55.01851	1.9
55.05511	17.9
57.07076	10.6
59.05003	4.4
65.03926	2.4
65.96229	1.8
67.05501	18.6
69.03431	7.3
69.07072	6.5
77.03928	3.3
79.05494	24.6
81.07054	37.0
83.04966	4.7
83.08639	2.4
85.06541	4.5
91.00740	1.8
91.05473	38.1
91.05981	2.7
93.07043	53.6
95.04970	57.8
95.08611	28.4
97.06550	9.2
103.05440	3.8
105.07027	100.0
107.04975	2.3
107.08598	27.9
109.06537	13.5
109.10168	8.1
111.08099	3.7
112.50369	2.5
117.06999	13.6
119.04967	3.2
119.08584	63.4
121.06499	22.2
121.10134	15.6
123.08068	22.1
125.09704	2.1
128.06262	4.2
129.07022	7.5
130.07820	5.8
131.08562	18.5
133.06480	4.6
133.10110	19.5
135.08078	13.3
135.11685	4.3
137.05960	2.6
137.09624	8.1
141.06985	5.2
142.07794	12.8
143.08582	18.9
144.09366	3.6
145.06485	2.2
145.10117	41.1
146.10651	2.8
147.08029	21.2
147.11682	35.9
149.09630	15.1
151.07550	19.3
153.07037	2.9
155.08571	8.7
156.09415	2.3
157.10136	22.0
159.08084	8.1
159.11716	17.1
161.09642	8.1
161.13243	3.2
163.11154	4.3
165.09122	37.4
166.09415	2.5
168.09370	4.7
169.10136	11.5
170.10683	2.2
171.11664	8.8
173.09637	5.3
173.13266	8.0
175.11142	22.3
177.09175	5.7
181.10162	5.0
181.12218	2.7
183.11681	10.9
185.13197	3.2
187.11217	4.4
187.14821	3.1
189.12766	7.2
191.14372	2.5
193.10124	3.2
195.11639	3.4
197.13374	4.7
199.11247	2.4
201.12770	6.8
203.14282	15.3
205.41141	2.4
206.08051	2.1
207.11830	2.8
207.13873	7.7
209.13428	2.8
209.15408	3.9
211.14842	5.6
213.12646	3.1
215.14305	2.9
217.39641	2.3
219.13928	3.8
221.13222	5.1
221.15367	86.9
222.15767	3.8
223.14949	3.1
227.14465	2.7
229.15799	5.0
231.13647	2.3
234.16188	14.7
234.18175	2.4
241.15958	3.0
249.16693	2.2
267.17239	2.4
286.19247	3.8
287.20050	11.4
298.30548	2.2
300.20758	3.6
329.21072	5.8
391.26349	4.5
409.27390	42.1
410.27756	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.3
53.03959	1.6
55.01880	2.1
55.05511	17.8
57.03451	1.4
57.07064	6.3
57.32965	1.2
59.04996	4.1
65.03942	3.4
67.05503	19.1
69.03428	7.3
69.07063	5.6
69.34141	4.5
69.34547	2.1
71.04993	1.7
79.05496	19.7
81.06569	2.1
81.07052	34.8
83.04978	4.3
83.08618	2.5
85.06557	4.1
91.05479	36.7
92.05823	1.5
93.07041	46.1
95.04967	48.0
95.08603	26.5
97.06516	7.7
103.05485	3.4
105.04507	4.3
105.07027	100.0
106.07342	3.0
107.05035	1.7
107.08585	24.5
109.06519	12.9
109.10149	9.1
111.08065	2.4
115.05492	4.1
117.07002	14.1
119.04873	2.5
119.08572	63.9
120.08943	1.3
121.06509	15.6
121.10145	15.1
123.08074	20.0
125.06045	1.3
128.06258	3.0
129.07011	7.3
130.07813	3.9
131.08551	23.7
132.08119	1.5
132.09348	1.5
133.06502	4.4
133.10115	18.0
135.08032	13.6
135.11731	2.6
137.09610	10.8
141.06996	5.1
142.07768	11.8
143.08562	14.7
144.09315	2.9
145.02551	1.6
145.06505	2.2
145.10123	32.9
146.10864	1.7
147.08057	20.1
147.11670	37.4
149.09604	10.5
150.10330	1.4
151.07526	19.8
153.07062	3.0
153.09116	2.0
155.08565	7.7
156.09369	5.5
157.10097	18.7
159.08051	4.6
159.11696	12.1
161.09616	8.1
161.13333	4.3
163.11227	3.8
165.07019	1.8
165.09116	36.5
165.10399	2.3
166.07880	1.5
167.08524	2.9
168.09384	4.2
169.10159	7.4
170.10864	1.9
171.11682	9.2
173.09607	6.7
173.13196	8.3
175.11183	27.7
175.14835	1.7
177.09106	4.0
179.08432	1.5
179.10715	1.3
181.10129	4.9
181.12201	2.5
183.11700	10.7
185.09596	1.4
185.13268	3.6
186.05247	5.2
187.11226	4.1
187.14844	2.1
189.12775	6.0
193.10199	2.2
195.11766	3.8
196.12515	2.0
197.09622	2.1
197.13287	4.1
199.11179	2.5
199.14888	1.8
201.12724	8.7
201.16422	2.5
203.14313	17.2
207.11855	2.9
207.13844	5.7
209.13280	3.5
209.15392	3.3
211.11217	2.1
211.14842	4.0
213.12755	2.4
215.14323	2.4
216.15103	1.7
219.13892	3.8
221.15358	82.3
222.15738	4.1
223.14798	2.8
225.16299	1.9
229.15877	4.9
231.13852	3.5
233.13249	1.9
233.15417	3.7
234.16147	15.7
237.12482	1.4
239.18004	1.9
247.17091	2.6
248.38135	1.4
251.18163	1.6
269.18887	1.6
286.19244	4.1
287.20050	7.9
299.20200	2.2
300.20840	3.5
307.20547	1.3
329.21112	6.3
335.20029	1.7
353.20871	1.6
391.26123	3.8
409.27304	36.7
410.27570	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69699	1.5
53.03957	2.9
55.01861	3.2
55.05513	18.9
57.07084	8.2
59.05002	3.6
64.75234	1.5
65.03950	3.0
67.05502	24.9
67.18394	1.7
69.03437	10.0
69.07062	6.5
69.36955	9.4
71.04971	1.9
75.91357	1.8
77.03926	3.7
79.05488	23.3
81.03436	2.3
81.07056	33.4
83.04969	4.6
85.06542	4.3
91.05476	44.2
93.07046	46.9
95.04968	56.8
95.08604	28.9
97.06522	5.4
98.22745	3.3
103.05476	4.8
105.04526	4.3
105.07025	100.0
107.08591	24.1
109.06533	9.6
109.10155	8.8
111.08077	1.9
115.05473	4.8
117.07024	16.2
119.04920	3.1
119.08579	58.9
121.06506	18.2
121.10165	12.2
123.08068	20.7
125.05939	3.0
128.06248	4.8
129.07033	8.3
130.07777	4.9
131.08566	24.8
133.06485	4.9
133.10117	18.0
135.08034	15.4
135.11661	3.1
137.05962	1.7
137.09639	10.6
141.07034	4.5
142.07799	11.1
143.08559	15.8
144.09331	2.1
145.06483	3.6
145.10123	33.7
147.08066	16.5
147.11674	37.8
149.09625	13.5
151.07550	20.3
153.07065	4.0
155.08560	8.0
156.09367	5.7
157.10132	18.4
159.08014	7.3
159.11694	13.1
161.09660	6.4
161.13274	5.1
163.11182	5.5
165.09117	37.9
167.08501	3.6
168.09346	5.3
169.10109	7.0
170.10851	2.1
171.11685	9.6
173.09621	7.2
173.13266	7.0
175.11169	28.1
175.14806	2.3
177.09151	4.1
180.09258	2.0
181.10205	2.9
181.12210	1.9
183.11681	8.9
185.09578	2.2
185.13329	4.3
186.05190	2.5
187.11171	3.7
187.14761	2.1
189.12743	5.5
191.14198	3.6
193.10121	2.0
195.11713	5.3
196.12482	2.3
197.13290	2.1
199.11328	1.9
201.12796	7.8
201.16356	3.2
203.14302	18.8
207.11934	2.5
207.13747	8.9
209.13289	3.2
209.15231	3.5
211.14841	3.9
213.12790	2.6
217.15834	2.0
219.13748	3.4
220.12543	2.0
221.15352	90.3
222.15675	4.0
223.14624	2.2
229.15860	6.5
233.15388	4.3
234.16124	17.6
286.19287	4.4
287.19940	8.7
299.19781	2.3
300.20840	6.4
329.21167	7.2
372.91257	1.9
391.26181	7.1
392.31665	1.9
409.27313	44.3
409.77686	1.8
410.27719	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93751	3.1
52.74118	2.9
55.01870	3.6
55.05512	22.3
57.07076	9.1
67.05516	18.3
69.03418	9.3
69.07065	7.6
69.73315	7.3
69.73705	8.2
70.15183	3.3
79.05490	23.0
81.07045	33.6
85.06550	3.7
91.05473	33.4
93.07043	49.6
95.04971	54.9
95.08617	26.5
97.06531	11.7
103.05439	3.1
105.07024	100.0
107.08596	25.3
109.06522	14.6
109.10155	13.8
115.05423	3.4
117.07022	12.7
119.08576	72.2
121.06506	24.6
121.10141	15.6
123.08076	21.3
129.07018	4.9
130.07802	5.2
131.08566	28.3
133.06424	4.2
133.10110	25.1
135.08058	18.8
135.11671	5.3
137.05980	3.2
137.09615	12.5
142.07771	14.2
143.08562	20.7
144.09337	5.9
145.10123	51.1
147.08043	21.3
147.11684	46.8
149.09633	12.6
151.07556	30.6
153.09045	3.9
155.08566	12.5
156.09367	5.6
157.10130	28.9
159.08049	10.2
159.11699	17.7
161.09636	13.0
161.13277	6.4
163.11160	9.9
165.09123	44.2
168.09328	6.3
169.10121	14.4
171.11656	18.8
173.09566	3.9
173.13199	8.4
175.11200	25.7
177.09081	4.7
180.09314	3.6
181.10101	4.3
182.10909	4.3
183.11676	14.8
185.13260	9.6
187.11169	5.7
189.12682	7.5
191.14305	4.5
195.11673	6.8
196.12402	6.2
197.13210	4.8
199.11215	3.9
201.12779	14.7
203.14331	20.6
205.81320	3.9
207.11917	3.5
207.13788	13.6
209.15266	6.1
211.14809	10.9
213.16391	3.8
219.13805	8.2
221.15353	87.0
221.17453	5.7
222.15639	6.8
229.15854	10.1
233.15363	7.3
234.16116	22.0
269.19064	4.1
287.19998	13.8
299.20096	7.8
300.20798	4.3
312.20959	4.4
329.21118	8.8
391.26352	8.2
409.27319	84.1
410.27795	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40882	2.0
55.01875	2.3
55.05505	19.6
57.07063	7.3
59.04994	3.1
65.03918	2.6
67.05502	18.4
69.03412	4.6
69.07061	5.3
69.75980	8.3
73.75377	2.1
79.05492	20.6
81.07053	32.6
83.04998	6.3
83.08580	2.7
85.06548	3.3
91.05473	33.0
93.07040	42.7
95.04971	50.9
95.08601	29.4
97.06545	10.5
98.23380	2.8
102.14598	2.3
103.05425	3.5
105.04531	3.3
105.07028	100.0
105.07745	4.9
107.08583	22.4
109.06507	17.0
109.10159	8.1
117.06991	10.6
117.36002	2.2
119.04932	3.1
119.08576	60.9
121.06494	21.5
121.10155	14.0
123.08067	15.9
128.06216	5.5
129.06996	8.3
130.07799	3.5
131.08560	20.6
133.06526	5.8
133.10114	18.5
135.08047	14.5
135.11646	3.9
137.09578	13.1
141.07018	5.3
142.07750	10.4
143.08580	18.7
144.09334	4.6
145.02547	3.0
145.06508	3.3
145.10114	37.9
147.08012	19.2
147.11678	38.4
149.09634	11.7
151.07533	26.0
153.09106	4.8
154.07817	2.5
155.08522	7.2
156.09271	3.6
157.10115	22.4
159.08047	5.6
159.11705	16.6
161.09618	9.5
161.13217	4.5
163.11182	5.3
165.07021	2.5
165.09096	41.0
166.09457	2.4
168.09332	6.5
169.10117	9.6
171.11639	13.2
173.09666	3.8
173.13300	7.3
175.11180	29.2
177.09138	3.7
181.10097	6.4
182.10864	2.9
183.11702	13.3
184.12218	2.4
185.13245	6.5
186.05257	7.7
187.11192	4.3
187.14867	4.2
189.12761	8.5
191.14261	2.8
201.12706	7.6
201.16359	2.9
203.14308	15.2
207.11856	3.4
207.13759	10.6
209.15327	3.7
210.51878	2.1
211.14867	4.9
215.14378	4.1
219.13770	4.9
221.13203	5.4
221.15344	76.4
222.15688	3.2
229.15915	8.8
231.13884	4.8
233.15340	4.5
234.16115	13.4
269.18738	2.4
286.19073	2.9
287.19916	9.4
299.20224	3.2
300.20721	4.1
317.21234	3.0
329.21164	5.6
391.26266	6.9
409.27338	47.4
410.27353	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	410.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.0
57.03423	9.3
65.19073	3.3
67.05493	23.2
69.03422	9.4
70.06573	7.4
71.04981	14.4
79.05470	3.7
81.07039	6.6
83.04926	4.4
85.02889	10.3
87.00814	5.9
91.05470	8.6
93.07037	12.0
95.04971	8.3
95.08599	100.0
96.59540	3.3
96.67078	2.9
97.02859	6.2
99.04469	3.7
105.01876	4.9
105.07025	4.4
107.04987	3.9
109.02850	5.3
109.10147	39.9
113.05979	6.7
119.08550	12.8
127.03950	3.8
127.11172	27.4
137.09601	28.5
145.02708	3.9
147.08049	6.4
155.10655	27.6
163.03934	20.3
165.09109	81.4
183.10173	15.2
199.77242	3.3
201.11229	19.2
210.48750	3.7
329.12042	6.3
357.11761	9.0
380.40234	3.7
410.17340	4.1
410.25186	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	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.02152	0.7
55.05482	0.8
57.03432	15.1
67.05494	2.7
68.99776	0.9
69.03423	4.5
69.07050	3.0
71.04990	2.6
73.02930	1.0
81.03416	3.0
81.07031	0.8
83.04948	1.1
83.08632	4.1
83.09028	0.8
84.04482	1.2
85.02903	9.3
87.00822	4.1
89.03889	1.6
97.02884	4.8
99.04467	1.7
105.01858	2.8
105.07054	1.0
107.04942	0.8
109.02860	2.9
109.10144	25.0
117.03368	1.4
127.03924	4.9
127.11184	100.0
128.04335	0.7
128.11517	2.5
135.04399	3.4
140.07031	0.9
145.02856	2.9
145.04945	2.9
145.12222	17.2
159.02824	1.1
161.06049	0.9
163.03896	16.0
173.86537	0.7
201.03798	1.1
204.08630	2.5
290.33038	0.9
296.29803	0.9
307.07748	0.7
351.10339	1.0
410.18823	0.9
411.19858	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	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41345	1.0
53.03950	5.6
55.01868	5.7
57.03428	4.3
61.02918	2.1
64.57195	1.1
68.99780	1.3
69.03430	19.0
69.44211	3.4
69.44628	1.9
71.04980	3.8
71.08630	21.6
73.02912	4.8
76.17174	1.2
79.79261	0.9
81.03423	17.9
82.25207	1.1
83.05035	1.1
85.02901	53.3
87.00826	25.7
87.01328	1.9
91.03941	1.6
97.02892	22.4
98.22650	1.6
99.04449	7.4
99.08095	33.2
105.01853	24.5
109.02877	19.6
109.10180	2.1
117.01884	1.7
127.03910	40.9
127.11188	36.3
129.01830	1.9
134.29192	1.2
145.04953	17.6
145.12228	100.0
146.12556	2.4
147.02881	1.3
159.02863	11.4
163.03926	3.5
179.42125	1.1
189.03960	1.9
213.03926	3.7
231.04915	8.9
247.13326	1.7
248.13602	4.3
249.05975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01869	9.2
55.05519	1.5
55.42509	1.5
57.03447	9.9
57.07080	1.9
59.84827	1.7
60.53520	1.4
60.58071	1.6
61.02917	7.6
61.70765	1.7
67.05501	2.3
69.03426	34.5
69.07076	1.8
69.71156	6.7
71.04991	6.9
73.02917	7.7
79.78526	1.5
81.03415	31.7
85.02904	100.0
86.03232	2.1
87.00827	51.2
97.02891	46.0
98.23447	2.1
99.04449	18.6
105.01859	64.9
108.11424	1.7
109.02882	34.3
109.10132	8.1
117.01852	2.9
121.63540	1.8
127.03910	82.6
127.11216	4.5
129.01851	4.7
137.05952	1.7
145.04956	40.3
145.12224	15.9
147.02890	4.5
153.05463	3.8
159.02893	23.0
163.03922	4.7
186.05377	2.1
189.03926	2.4
211.13477	1.7
213.04012	3.1
230.12434	2.3
231.04996	18.3
247.13399	5.5
248.13596	10.0
279.23401	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	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01854	3.0
55.05499	1.1
56.96562	0.7
57.03431	3.9
57.07059	1.1
58.11428	0.8
61.02911	1.5
67.05482	0.9
69.03426	8.9
70.06587	9.3
71.04985	12.2
71.44511	0.8
73.02900	3.0
73.06558	2.5
81.03409	8.0
81.07051	0.8
82.45782	0.8
85.02896	19.7
87.00816	10.5
87.04440	2.3
87.59254	0.8
91.76588	0.7
96.04471	0.7
97.02878	9.3
99.04443	3.5
105.01859	7.2
108.08073	0.9
109.02856	4.9
109.10126	4.7
113.30028	0.9
115.03925	1.2
120.08104	3.3
125.09615	0.9
127.03899	12.0
127.11172	22.0
135.04445	1.0
140.07027	3.9
141.07384	2.8
145.04909	5.7
145.12219	100.0
146.12547	2.5
159.02852	4.1
163.03896	2.2
164.10762	0.8
164.82941	0.8
186.92850	0.8
217.13377	3.3
231.05000	2.4
245.12866	0.9
276.18936	0.8
357.15472	0.8
366.22632	3.3
392.23328	1.5
410.25336	9.8
411.16299	0.9
434.92374	0.9
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	9.1
53.38848	2.3
55.01857	8.9
57.03438	15.2
61.02913	5.8
65.87611	3.0
67.05492	4.5
69.03123	2.9
69.03429	36.0
69.09062	2.8
70.06571	5.0
70.60500	3.8
71.04974	8.5
71.08617	12.3
72.08122	3.2
73.02908	8.4
76.81059	2.8
81.03410	33.1
81.07022	3.6
83.04932	2.9
84.04492	14.9
85.02894	100.0
85.06531	10.5
87.00832	51.1
91.05502	3.2
97.02888	47.5
99.04430	15.8
99.08082	18.0
105.01855	54.7
105.07015	3.2
106.26974	3.1
108.71463	2.7
109.02883	29.2
109.10182	4.1
120.08109	4.8
127.03910	69.5
127.11198	20.0
129.01843	4.7
135.04424	4.4
135.11671	3.5
145.02786	4.2
145.04941	34.5
145.12233	55.6
147.02721	6.1
147.07964	4.0
152.07869	3.1
159.02850	16.7
163.03889	23.4
163.07538	2.6
173.05959	3.1
174.06308	3.2
181.58295	2.8
191.01619	6.9
192.01967	9.6
209.02713	5.9
210.03000	4.2
231.04861	14.0
247.13069	3.2
248.13524	5.6
249.06122	4.2
257.20712	3.0
305.91302	2.7
347.07712	3.9
368.36197	3.6
391.05484	3.3
410.10907	8.9
411.19928	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82000	2.2
55.77538	2.1
69.03457	3.7
70.66446	4.9
79.05467	3.7
80.72861	2.7
85.02926	3.8
97.06534	3.0
107.08599	11.2
115.43951	2.4
117.03286	2.1
125.09647	13.4
135.04333	2.3
135.08055	6.3
153.09100	100.0
154.09413	3.4
156.63142	2.4
160.07544	9.2
161.07863	5.8
162.08284	3.2
163.03885	5.9
176.94606	2.7
192.65419	2.6
253.37808	2.6
296.96008	2.6
365.12207	3.2
366.12308	20.7
410.11343	74.0
410.22552	4.9
411.11743	9.1
411.16510	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	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01869	9.2
55.05519	1.5
55.42509	1.5
57.03447	9.9
57.07080	1.9
59.84827	1.7
60.53520	1.4
60.58071	1.6
61.02917	7.6
61.70765	1.7
67.05501	2.3
69.03426	34.5
69.07076	1.8
69.71156	6.7
71.04991	6.9
73.02917	7.7
79.78526	1.5
81.03415	31.7
85.02904	100.0
86.03232	2.1
87.00827	51.2
97.02891	46.0
98.23447	2.1
99.04449	18.6
105.01859	64.9
108.11424	1.7
109.02882	34.3
109.10132	8.1
117.01852	2.9
121.63540	1.8
127.03910	82.6
127.11216	4.5
129.01851	4.7
137.05952	1.7
145.04956	40.3
145.12224	15.9
147.02890	4.5
153.05463	3.8
159.02893	23.0
163.03922	4.7
186.05377	2.1
189.03926	2.4
211.13477	1.7
213.04012	3.1
230.12434	2.3
231.04996	18.3
247.13399	5.5
248.13596	10.0
279.23401	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	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.7
69.07062	15.1
69.46288	16.6
74.13420	3.6
74.19962	4.3
79.05482	7.6
81.07041	8.0
83.04980	4.8
83.08633	4.5
93.07043	9.2
95.08604	11.4
97.06534	21.4
105.07034	7.3
107.04937	8.2
107.08601	34.8
109.10152	11.6
119.08585	12.5
121.10146	23.4
123.11707	5.1
125.09618	8.3
125.61659	4.0
126.94054	4.0
131.08592	11.4
133.10170	22.4
134.75615	4.4
135.08064	13.4
135.11697	13.0
145.10091	6.5
146.46240	4.2
147.11627	5.3
147.92128	4.1
149.09566	5.2
149.13229	7.3
151.11183	15.5
157.10065	4.5
159.08191	4.4
161.09651	5.6
163.14804	15.3
173.13298	24.7
179.10736	10.1
185.13188	4.9
187.11137	9.5
189.12756	6.5
191.14281	90.8
192.14581	5.5
205.12158	4.0
207.13783	6.4
209.15369	11.2
215.14256	5.6
231.13815	8.1
235.13190	8.4
245.15453	13.0
252.73222	4.1
271.16919	5.6
289.17950	15.0
297.18347	6.2
315.19382	15.7
333.20554	100.0
334.20929	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	410.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13000	22.5
69.46112	100.0
69.46510	56.7
70.66199	25.9
79.32656	26.0
81.03416	39.1
81.50533	22.8
95.04966	83.8
97.72308	22.0
98.23494	27.2
106.05992	23.8
119.08557	34.4
121.10155	46.7
163.11159	58.1
165.08858	23.1
184.52699	25.7
193.15852	30.3
203.63437	27.2
224.44214	22.8
297.18491	38.2
315.19553	50.1
333.20529	30.2
375.21530	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71010	5.2
57.03448	5.5
57.24516	5.1
61.84111	6.1
65.55668	5.4
67.05495	24.7
67.64010	5.1
69.38842	28.4
72.90647	5.1
81.03410	42.5
91.05485	6.3
93.07030	13.4
95.04967	100.0
95.08620	5.9
97.42053	6.1
98.22746	10.1
105.07014	10.7
107.56509	6.2
109.65279	5.5
119.08539	8.8
121.06458	5.8
121.10152	11.3
123.04370	6.7
135.11761	6.4
147.11708	5.8
163.11118	9.0
175.14835	11.7
177.12788	6.7
191.14281	16.0
193.15892	21.9
198.00685	7.0
199.59627	6.4
208.56483	7.0
210.84636	6.0
221.15269	6.3
239.97423	5.7
241.15865	9.7
267.17752	6.8
285.18604	5.9
297.18549	11.3
306.88995	5.4
315.19412	85.0
316.19934	9.7
333.20514	12.8
375.21790	25.0
393.43817	7.8
410.25940	11.8
424.23538	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	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49733	21.0
69.42037	100.0
81.03413	52.2
83.60969	20.1
95.04958	81.7
105.07029	22.9
107.08524	21.3
109.06503	20.0
113.92973	18.3
116.91272	18.2
119.08553	35.7
121.10117	41.4
132.11156	18.5
133.10100	24.6
135.11731	23.7
145.10117	26.7
161.00838	20.4
163.11189	72.4
173.13313	35.1
175.14929	29.0
193.15822	22.1
219.75307	18.6
297.18591	42.7
315.19568	99.7
316.19760	27.8
375.21619	56.5
410.25540	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	410.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78424	10.4
66.06511	9.2
66.25793	9.1
67.05508	19.4
70.34349	9.4
70.61243	18.6
80.94852	10.2
81.03421	49.5
83.92999	9.9
95.04971	100.0
102.90950	10.8
106.04440	13.0
114.93262	10.3
123.04369	11.9
137.69016	10.4
139.51768	12.2
197.57216	12.4
315.19568	71.1
333.20660	16.4
375.21622	15.8
410.25815	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	410.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95251	5.8
54.23934	4.8
57.78267	5.6
65.21728	4.4
68.95241	5.4
71.44470	5.8
73.06483	5.5
75.88474	5.5
81.03441	5.6
103.18362	5.7
142.37343	5.4
195.17535	5.6
200.23676	6.0
309.75494	5.8
344.10483	5.6
395.46890	6.2
410.25925	100.0
423.63721	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	410.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	100.0
63.15822	3.2
67.05508	27.5
69.07070	10.0
69.23389	21.6
78.17447	4.4
79.05502	29.8
81.07063	17.2
83.04942	4.6
83.08623	63.7
90.57172	3.5
91.05491	18.9
93.07051	15.2
95.08604	14.1
97.10175	16.6
98.23445	7.4
105.07027	9.4
107.08590	24.6
109.10178	11.0
117.07028	7.1
119.08566	8.0
121.10175	11.5
123.11685	4.3
125.09637	20.4
131.08595	7.9
133.10112	13.9
135.11650	4.4
145.10133	14.4
147.11699	6.9
157.10071	4.3
159.11711	4.4
159.88435	3.9
173.11787	6.5
189.11205	23.2
235.81516	4.1
272.08005	3.7
275.20145	22.2
343.21356	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	410.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82024	0.9
51.97492	0.9
55.05491	1.6
57.07071	39.0
61.84795	1.1
64.13731	1.0
66.99430	0.9
69.07064	2.1
69.83463	3.4
71.08625	27.7
73.06555	4.7
81.13795	1.0
83.04951	1.2
83.08597	1.8
85.10171	18.4
87.04457	2.9
89.06021	100.0
90.06361	1.6
90.19865	1.0
91.05466	2.1
95.08613	0.9
97.10121	1.9
98.22746	1.3
99.11729	4.0
102.39684	0.9
107.07060	3.7
108.46671	0.9
111.08067	0.9
113.13264	1.7
117.09104	1.5
130.08636	2.4
133.08589	47.8
134.08923	1.3
136.68187	0.9
151.09668	4.0
155.17920	1.7
177.11176	10.9
195.12265	2.9
199.20534	3.2
232.10696	1.0
239.14861	18.2
243.23132	4.6
287.25592	1.2
304.38757	1.0
349.29385	1.3
393.27173	1.7
393.32028	21.7
394.32605	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81150	23.2
55.31906	29.3
69.51042	36.5
69.51451	97.0
79.49742	25.4
79.77989	24.4
98.22650	32.3
125.52144	27.4
128.44832	28.3
145.02832	81.8
159.34381	26.7
175.41124	26.5
177.05469	100.0
178.05919	40.6
182.05830	74.2
198.84323	31.3
223.63013	31.6
235.02776	26.4
283.74844	30.1
291.03848	29.7
297.06244	33.5
395.00470	30.2
411.08676	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	411.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.48924	0.1
55.01851	0.3
57.03418	0.4
61.02916	0.3
63.02351	0.4
67.01864	1.1
68.99776	0.5
69.03069	0.2
69.03425	3.7
71.01344	0.2
71.04988	0.9
73.02911	0.3
77.03909	0.2
79.05489	1.3
81.03414	6.0
85.02898	3.4
85.73631	0.2
87.00350	0.2
87.00804	1.0
87.04421	0.1
89.03907	8.4
90.04256	0.2
91.05463	0.4
95.04922	0.3
97.02889	3.1
98.22676	0.6
99.04447	1.7
105.04516	0.2
105.07011	0.3
107.04942	2.5
109.02873	7.6
110.03196	0.2
117.03369	10.2
118.03714	0.3
118.78716	0.2
118.89772	0.1
119.08540	0.2
124.31932	0.2
127.03898	4.7
129.01817	0.3
131.08511	0.2
135.04405	19.1
136.04727	0.6
145.02838	13.5
146.03171	0.6
147.02954	0.2
149.09599	0.6
163.03886	100.0
164.02951	0.3
164.04233	3.0
175.07550	1.6
181.04961	1.1
186.05426	0.3
213.03848	0.2
229.03273	0.2
231.13809	0.5
236.28214	0.1
239.11490	0.2
247.06029	0.3
249.14809	1.5
307.08102	2.4
325.09052	0.2
351.07269	0.2
382.81125	0.1
393.08066	0.5
406.53992	0.2
411.09134	1.9
411.19864	14.0
412.20255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02571	0.2
50.57225	0.2
51.02401	0.2
53.03940	1.4
56.22645	0.2
57.03406	0.3
61.02922	0.4
61.24625	0.2
63.02361	0.5
67.01857	1.1
68.99780	0.8
69.03432	3.5
69.71942	0.7
71.04978	1.0
71.34133	0.2
79.05485	1.3
81.03416	5.7
85.02908	3.1
86.09700	1.6
87.00816	1.0
89.03913	10.1
90.04256	0.3
91.05473	0.4
91.12009	0.2
95.04960	1.0
97.02864	2.9
98.03175	0.3
99.04449	1.6
107.04948	2.8
109.02875	7.5
117.03371	11.3
118.03678	0.2
120.08076	0.5
127.03905	5.2
129.01820	0.6
135.04405	19.6
136.04709	0.5
145.02841	14.4
146.03215	0.4
147.02983	0.4
147.04285	0.4
158.44841	0.2
163.03891	100.0
164.04237	3.2
180.88179	0.2
181.04897	1.3
185.09192	0.4
207.14233	0.2
270.17801	0.3
307.08060	2.8
341.94977	0.2
351.07098	0.3
367.76099	0.2
368.73755	0.2
375.58591	0.2
376.67520	0.3
393.08105	0.8
393.12949	0.2
410.25446	0.3
411.09052	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05494	0.4
57.03432	0.5
57.22340	0.2
61.02924	0.4
65.28378	0.2
67.01854	1.1
68.99785	0.5
69.03424	3.4
71.01319	0.3
71.04967	0.9
79.05480	0.8
81.03410	6.3
83.08617	0.4
85.02902	2.8
87.00826	1.2
89.03909	7.9
95.04977	0.4
97.02887	3.1
99.04455	1.7
100.11257	0.6
100.24219	0.2
105.01841	0.3
105.07014	0.3
107.04939	2.4
107.08608	0.3
109.02870	7.9
112.92090	0.2
117.03369	9.4
117.04206	0.6
127.03902	5.0
129.01875	0.3
135.04404	19.6
136.04776	0.5
137.50661	0.2
145.02840	13.4
146.03203	0.6
147.02853	0.3
147.04445	0.3
163.03886	100.0
163.63986	0.2
164.04218	2.9
175.25175	0.2
181.04962	1.4
307.08038	2.0
325.09204	0.6
345.72470	0.3
351.07257	0.3
352.19678	0.4
369.70691	0.3
393.08105	0.9
393.82690	0.3
411.09122	2.2
411.19907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45627	0.4
51.73903	0.4
55.82474	0.4
60.22403	0.5
61.51469	0.4
81.03429	0.4
85.02905	0.8
104.62901	0.4
108.29803	0.4
137.83141	0.4
142.03439	0.4
161.06032	0.4
163.03963	1.0
202.00140	0.4
231.13608	0.6
236.73228	0.4
249.11090	1.4
320.06360	0.5
371.26773	0.4
411.16208	100.0
412.16595	6.8
415.57889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02783	0.2
71.43012	0.3
81.03420	0.3
82.99704	0.2
84.80740	0.2
85.02907	0.9
97.02883	0.3
103.07531	0.3
105.01866	0.5
109.02843	0.3
127.03896	0.4
130.79581	0.3
163.03891	1.4
188.90715	0.3
249.10995	1.1
308.59341	0.3
386.40179	0.3
411.16211	100.0
412.16547	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	411.1985
Annotation	Flumethasone
Peak:m/z	Relative Intensity
69.03412	0.5
70.06557	0.4
70.80375	0.4
84.08148	0.6
99.36427	0.5
163.03891	1.1
203.05243	5.1
231.09941	0.5
231.13553	1.6
250.14357	0.5
277.75885	0.3
279.17819	0.9
353.15662	8.6
354.15860	0.4
411.19894	100.0
412.15579	0.5
412.20316	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	411.1987
Annotation	Flumethasone
Peak:m/z	Relative Intensity
50.09114	0.4
69.03432	1.0
70.06600	1.1
81.03422	1.1
85.02930	1.6
87.00850	0.6
97.02921	0.7
107.08632	0.4
109.02888	0.5
123.19096	0.6
127.03965	1.5
134.10345	0.4
135.04463	1.0
163.03873	5.7
186.68860	0.4
203.05197	2.8
228.38271	0.4
231.13635	0.7
411.20190	100.0
412.15781	0.8
412.20630	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
55.05507	10.9
57.03438	4.1
57.67547	1.5
59.05005	2.8
60.86898	1.5
67.05501	4.9
69.03426	7.1
69.07049	3.6
70.01556	3.7
70.01897	2.2
79.05492	4.0
81.07035	5.9
83.04977	100.0
85.02905	2.8
87.00781	1.8
89.03929	1.8
91.05479	5.0
93.07043	5.1
95.04965	8.7
95.08593	6.4
97.06528	7.4
99.04444	2.3
100.11253	3.9
105.07046	8.0
107.08588	6.1
109.02879	2.5
109.06503	3.8
109.10135	2.2
111.04486	1.9
111.08073	2.1
113.05994	3.9
117.07051	2.7
119.08593	8.2
121.06522	2.3
121.10159	3.2
123.08062	5.1
123.11720	2.4
125.09572	1.6
127.03939	2.6
129.07022	1.9
131.08554	5.0
133.10158	8.2
133.45375	1.8
135.04398	5.6
135.08032	3.4
135.11649	5.0
137.05933	2.2
137.09607	4.8
142.07693	2.5
143.08549	4.1
145.10089	7.1
147.08052	4.1
147.11719	4.5
149.09576	4.7
151.11177	3.1
156.09343	2.4
157.10098	4.6
159.11649	5.3
161.05847	2.0
161.08334	1.5
161.09581	8.8
161.13210	3.3
163.03897	20.8
164.04112	1.9
169.10239	2.0
171.11707	4.1
173.04268	1.7
173.09639	3.6
173.13260	7.7
175.11157	2.8
177.12703	1.8
179.10663	5.4
182.15361	3.3
185.13152	3.3
187.11151	4.2
189.12695	5.1
191.10637	2.0
191.14282	17.1
195.11636	2.2
197.13332	1.7
199.11041	2.4
199.14833	2.9
201.12721	3.1
203.14284	2.8
207.13861	3.9
209.11588	2.1
211.11153	2.4
211.14995	2.3
213.12785	4.2
215.14133	1.6
217.15750	3.8
219.13809	3.1
227.14331	4.1
229.15768	2.0
231.13736	11.5
243.13588	2.6
245.15387	16.6
263.16470	14.4
285.18616	2.2
297.18500	4.4
315.19528	16.6
323.18637	1.9
333.20505	9.2
351.21817	2.1
411.16165	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	411.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01860	6.4
55.05499	7.9
57.03437	11.2
57.07076	2.6
63.59324	2.1
65.03926	10.1
65.14092	1.9
67.05502	100.0
69.03421	11.9
69.07056	7.5
70.06591	3.0
71.04985	11.3
75.09954	2.1
79.05486	21.4
81.02962	4.7
81.03416	71.5
81.07057	16.9
82.07346	2.1
83.04982	7.8
83.90289	1.9
85.06519	3.2
89.03867	2.6
91.05476	17.9
92.51673	2.1
93.07049	23.3
94.96455	2.4
95.04959	85.4
95.08598	20.4
96.05298	3.5
97.02905	6.2
97.06525	8.4
99.04448	4.4
99.08061	3.2
103.05423	4.0
103.51041	2.4
105.03421	2.8
105.04536	2.5
105.07027	29.7
107.04956	2.9
107.08598	28.3
109.06519	16.2
109.10149	8.7
111.04448	3.3
111.08040	5.5
113.06001	4.1
115.03934	3.1
117.07017	6.6
119.08573	40.6
121.06506	18.6
121.10136	61.8
122.10446	3.3
123.04443	16.4
123.08047	22.1
123.11682	8.7
124.08347	2.5
125.09663	7.2
127.03938	3.0
129.06950	3.9
131.08592	15.3
133.06509	3.7
133.10109	30.8
135.04439	2.6
135.08037	11.3
135.11664	26.9
137.09602	9.6
138.68698	2.7
139.07596	3.3
141.05426	8.4
143.08559	10.3
144.09276	5.0
145.06465	6.9
145.10129	23.9
147.08084	11.8
147.11649	10.7
149.09615	8.3
151.07568	6.6
151.11139	3.2
155.08519	5.0
156.09363	3.4
157.10101	17.4
158.10881	2.6
159.08031	5.1
159.11639	17.3
161.09538	11.0
161.13240	5.5
163.03909	14.5
163.11160	47.1
165.09142	7.2
165.12683	2.8
168.09439	2.9
169.10117	5.6
170.10872	4.2
171.11671	11.6
173.09599	7.7
173.13231	18.0
175.11159	6.9
175.14799	24.6
177.09120	3.3
177.12701	10.1
179.07027	3.8
179.08604	2.6
181.10054	5.5
183.10168	4.2
183.11688	8.9
185.09621	4.7
185.13278	7.8
186.10176	2.6
187.11159	6.9
187.14778	4.9
189.12721	7.2
191.10675	3.6
191.14265	24.9
193.15868	42.3
194.10846	2.3
194.16208	3.1
195.11659	5.0
197.09656	3.5
197.13263	9.9
199.11159	4.2
199.14841	6.2
200.20274	2.5
201.12723	6.3
201.16431	4.6
203.10672	2.7
203.14334	7.4
205.15784	3.0
207.02843	5.2
209.13225	5.2
211.11278	4.7
211.14717	4.9
215.14282	5.7
216.02832	5.2
217.01295	4.8
219.13782	7.8
219.17450	16.2
221.15271	6.1
223.14819	7.5
225.12721	3.5
225.16405	5.4
227.14334	7.3
229.12242	4.3
229.15810	10.9
233.15305	4.4
237.14691	3.7
238.07878	3.6
239.14288	4.1
241.15800	7.2
243.13805	4.8
245.15363	3.5
247.16937	8.3
251.18132	3.6
253.15976	4.8
255.13704	2.6
255.17401	2.9
257.15222	4.6
259.16943	7.0
269.19040	10.2
271.16995	8.1
279.17410	9.1
287.20291	2.8
289.17874	5.4
297.18506	36.4
307.19077	12.0
308.08859	3.2
315.19522	60.3
316.19623	6.1
333.20590	37.6
334.20789	8.2
351.21585	22.6
365.24765	2.9
367.16614	2.6
367.21060	2.4
375.21545	16.3
376.21747	5.4
380.11935	3.3
393.22675	12.0
395.53436	2.4
411.24277	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51989	3.4
56.62464	3.5
56.71489	3.9
57.03435	52.2
61.02922	12.7
62.46671	3.7
65.28912	3.5
69.03432	44.4
69.58575	4.0
70.06589	4.6
70.08002	3.4
70.29604	4.4
70.77321	6.6
73.02916	100.0
78.84542	3.9
81.03411	5.5
83.04978	71.8
85.02905	58.2
87.04455	6.7
97.02896	69.6
99.04450	4.9
101.06018	48.8
115.03928	57.2
118.73711	4.1
127.03911	26.7
132.49329	4.3
133.04944	20.2
136.06180	50.3
144.06563	6.1
144.14900	3.8
145.04985	26.5
156.02971	4.0
162.07732	4.9
204.08899	4.2
215.09071	11.2
241.07097	6.6
245.10225	6.1
255.33192	4.6
259.08337	4.4
333.89221	3.9
386.61783	3.8
412.13400	12.5
413.14014	9.0
431.10278	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96745	1.7
55.01874	1.7
55.05505	6.4
57.03147	1.8
57.03434	35.4
59.05000	1.7
61.02927	16.0
69.03423	34.6
69.07066	3.2
70.73560	2.3
71.01349	4.0
71.04988	8.8
71.34119	1.8
73.02910	75.0
81.03403	8.2
83.04977	2.1
83.08614	6.6
85.02896	100.0
86.07138	1.6
86.09693	3.8
87.00839	2.2
87.04446	3.0
89.82043	1.9
91.03938	2.5
91.05418	1.8
91.83524	1.6
93.07036	1.6
95.08627	1.6
97.02887	52.4
99.04451	5.3
104.10729	6.6
107.41071	1.6
109.02851	10.4
110.03285	2.1
110.25484	1.6
115.03924	35.1
117.03429	2.1
123.08042	2.1
124.99985	2.4
127.03905	25.3
129.09113	2.8
132.06593	2.9
133.04942	12.8
135.04376	5.6
139.07507	2.5
141.09088	3.5
145.02885	2.7
145.04941	43.7
151.07582	2.4
154.94986	1.7
163.03903	15.7
163.05998	18.2
164.04268	7.6
165.09178	2.1
184.07379	6.1
203.05298	5.3
209.11613	3.7
223.05946	4.4
241.07207	3.1
245.13898	2.7
254.92863	1.9
259.08044	3.0
263.14984	3.7
269.03342	1.9
295.10297	2.6
325.34668	1.8
353.11914	12.2
412.20102	27.5
413.18185	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16975	5.6
55.05512	9.5
57.03445	10.7
60.67564	6.3
61.02916	6.9
63.89764	6.5
69.03436	55.5
69.07059	18.5
72.08150	21.5
73.39378	6.2
81.03422	29.5
83.04979	22.7
84.32345	6.1
85.02905	100.0
87.00832	55.2
93.07074	9.0
95.08600	6.3
97.02889	27.6
99.04452	15.5
105.01869	69.0
109.02858	37.0
110.96454	6.4
120.08112	38.4
127.03922	79.0
129.12730	11.2
145.04984	22.2
149.09593	9.1
154.55418	5.7
163.03813	7.4
164.04189	7.8
203.05264	17.9
219.14890	18.0
231.05037	35.2
353.12067	50.4
369.15286	6.8
412.22995	9.7
413.14194	36.9
413.21368	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	412.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26146	2.3
56.36781	2.4
57.03432	28.9
65.03926	5.1
67.05499	4.1
69.03431	8.2
69.95209	2.7
69.95535	4.4
70.06578	11.4
71.04976	3.6
79.05491	5.1
79.85302	2.6
81.07047	5.8
81.54180	2.7
83.04975	3.1
89.89227	2.3
91.05476	6.3
93.03428	6.4
93.07037	8.0
95.04957	2.8
95.08595	4.2
97.02890	3.4
97.06541	6.2
98.22696	3.6
98.95867	2.6
99.04453	6.4
105.07022	7.9
107.08548	4.4
108.72628	2.8
109.10121	3.0
117.07004	2.6
119.08586	8.0
121.06550	4.3
121.10104	4.9
123.08080	5.0
125.06007	7.0
128.06239	3.4
129.07108	3.7
131.08557	7.3
133.10144	7.9
135.08086	3.7
135.11743	4.8
137.09621	6.8
141.05385	3.4
143.08557	7.3
145.10141	6.4
147.11736	5.3
149.09720	3.5
151.11194	3.5
157.10146	7.9
159.08009	4.1
159.11684	5.4
161.09625	50.6
161.13184	2.7
162.10004	2.9
163.11217	3.9
169.10033	4.1
171.11665	13.4
172.11983	3.0
173.09636	4.7
173.13260	5.2
175.11180	8.3
177.09071	2.7
177.12762	3.2
179.10683	9.6
181.06454	2.6
181.10123	4.2
183.11700	6.4
185.09621	3.3
185.13240	4.7
187.07556	3.3
187.11079	5.4
187.14923	2.7
189.12750	6.5
191.14308	4.9
195.11821	3.8
197.13213	6.4
199.11256	4.8
201.12811	3.2
207.11708	2.7
207.13834	3.8
213.12758	7.5
215.10832	5.0
216.02994	3.1
217.01283	3.9
217.12251	5.2
219.13786	7.9
223.14633	2.8
225.12737	7.3
229.12221	2.8
229.15866	3.3
235.02470	2.9
235.13330	10.3
241.12283	7.3
243.13785	12.0
249.04048	3.4
253.12126	3.5
259.13281	6.9
261.14822	4.5
263.16357	2.9
267.16019	4.8
269.11566	2.6
271.13321	9.9
271.16589	3.6
277.14462	3.5
289.14890	3.2
289.17963	10.1
307.19025	31.7
317.17566	15.2
323.68411	2.5
327.15955	3.1
335.18475	37.7
345.16934	44.9
359.18521	9.4
363.17969	100.0
364.18344	4.8
377.19565	14.1
394.09958	2.9
395.20691	28.7
413.19363	5.3
419.74966	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	412.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26084	3.3
57.03452	21.6
63.78223	3.0
65.03910	5.0
67.05486	3.8
69.03426	11.1
70.06578	11.4
77.19797	2.9
79.05491	5.6
81.03394	4.7
81.07061	6.5
83.15443	3.0
88.48373	3.4
90.48142	3.2
91.05452	4.9
93.03413	5.2
93.07041	8.2
95.04948	8.9
95.08598	3.8
97.02875	6.4
99.04462	9.0
105.06973	6.4
107.08598	7.3
109.06528	5.2
109.10162	5.8
112.75504	2.7
119.08556	9.3
120.67193	3.3
121.10114	3.6
123.08045	4.5
125.05942	3.6
131.08572	4.9
133.10132	9.8
135.08020	3.5
137.06004	3.2
137.09610	4.7
141.06941	3.4
143.08559	8.2
145.10133	5.9
147.07999	3.2
147.11688	7.3
151.07614	3.8
155.08534	3.5
157.10164	8.1
159.08060	5.1
159.11676	4.2
161.09613	35.9
169.10152	3.8
171.11658	15.1
173.09552	5.4
173.13205	4.5
175.11177	8.7
179.10669	9.8
181.09967	2.9
182.10861	2.8
183.11646	8.6
185.13264	4.5
189.12718	9.7
191.14426	3.4
195.11742	4.6
197.13266	5.6
199.11223	8.2
201.12817	4.0
203.10536	3.9
207.11617	4.6
207.13792	5.6
210.10471	4.5
211.11206	4.1
213.12820	4.6
216.02873	5.8
217.01349	9.0
217.12192	7.8
219.13715	6.6
225.12744	8.4
227.14337	7.3
229.15857	3.7
231.13855	4.7
235.13237	11.3
243.13730	8.0
249.03923	6.1
259.13339	5.4
261.14758	3.6
267.15897	6.0
271.13376	16.1
289.14642	3.6
289.17966	11.2
298.18979	3.9
307.18951	26.8
317.17545	15.6
335.18491	37.1
337.16287	5.5
345.16983	49.4
359.18512	7.0
363.17978	100.0
364.18341	7.6
377.19458	17.5
395.20633	26.7
413.19260	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	412.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.8
57.03441	40.9
59.04992	9.4
60.05633	7.6
65.03940	7.5
67.05511	15.0
69.03427	10.9
69.07043	5.5
69.77560	3.3
71.04987	6.2
79.05489	11.4
80.17906	3.8
81.03396	21.3
81.07050	13.1
83.05001	5.3
87.04482	6.0
88.18293	3.6
90.85448	4.1
91.05486	10.9
93.03426	10.5
93.07060	11.2
95.04963	48.0
95.08606	9.5
97.06536	7.8
98.06036	6.9
99.04456	7.1
99.82741	4.0
105.07034	11.7
107.08611	10.1
109.02917	5.2
109.06510	8.0
109.10154	7.8
111.04424	6.0
119.08569	18.6
121.02821	3.6
121.06514	9.0
121.10141	16.5
123.04431	12.3
123.08017	4.8
123.11686	13.5
125.06020	6.2
127.03917	8.0
128.06230	4.6
131.08591	11.3
133.10129	14.9
135.08090	10.8
135.11742	6.6
137.90184	3.9
141.05489	6.1
143.08575	15.4
145.06485	8.5
145.10120	18.1
147.08087	4.9
147.11676	8.0
149.09639	12.0
153.05457	3.5
155.08559	10.0
156.09355	4.8
157.10132	11.5
159.08040	8.8
159.11732	7.1
161.09618	54.4
161.13315	6.2
165.12856	6.5
167.08496	4.5
169.10147	7.0
170.10977	6.9
171.11668	19.7
173.09648	12.5
173.13281	15.9
175.11166	11.2
177.12740	6.1
179.10638	9.6
183.11688	7.9
185.13306	9.6
187.07550	6.7
187.11191	6.7
189.12679	24.9
191.10744	3.7
191.14285	12.5
195.11833	4.1
197.09769	5.1
197.13258	10.6
199.11203	9.5
199.14824	8.1
201.09123	5.4
201.12802	5.8
203.10678	5.4
205.15894	4.9
207.02834	9.0
207.11803	4.9
211.11314	5.1
213.12813	14.7
215.10712	6.4
215.14296	5.4
216.02881	18.8
217.01334	16.5
217.12219	7.7
219.13797	24.7
223.11133	5.1
225.12758	8.9
227.14334	11.6
229.12154	4.6
231.13820	11.2
235.02339	5.7
235.13264	11.1
241.12256	7.4
243.13773	14.8
245.15295	6.2
249.03918	9.0
257.15512	5.2
259.13461	5.4
261.14883	6.6
267.15973	8.0
269.08224	4.0
269.11316	4.1
271.10678	4.7
271.13379	11.3
271.16846	4.3
281.18884	6.1
288.13260	3.7
289.17960	19.8
290.58377	4.4
299.16626	8.3
299.19968	18.4
301.05353	23.1
307.19028	24.2
309.14651	4.7
317.17471	27.4
317.21112	34.5
319.15448	5.3
327.15878	8.8
335.18567	37.7
337.16458	6.0
345.16940	45.4
353.10425	4.7
353.17194	9.1
359.18442	21.4
363.18015	100.0
364.18393	7.7
377.19489	76.9
395.20578	32.9
412.23544	4.7
413.18530	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42525	30.5
70.06589	10.8
79.05489	20.9
81.07058	48.3
85.06561	8.9
93.07040	13.5
95.08601	9.8
97.06526	13.8
105.07021	10.9
107.08582	18.3
109.06501	10.1
109.10165	18.7
119.08630	9.1
121.10167	14.5
128.26495	5.8
131.08588	10.3
133.10130	18.6
143.08528	6.9
145.10062	6.5
147.11667	6.8
149.13309	7.5
151.11116	5.5
173.13271	19.2
191.14310	50.9
211.08490	7.3
213.28568	6.4
215.14322	18.6
225.04196	14.3
246.28914	5.6
259.46680	6.2
289.12311	6.0
299.20154	13.8
317.21069	42.3
335.22119	100.0
353.12042	8.0
412.22244	55.0
412.72351	29.1
413.19312	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	412.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
67.05497	7.8
67.31268	4.5
68.34284	3.7
69.07066	7.0
69.76311	15.6
72.05346	3.4
74.20115	3.9
79.05518	4.8
81.07058	17.3
91.05481	5.6
92.17770	3.7
93.07043	9.8
95.04982	6.0
95.08607	10.0
95.25254	3.9
97.06529	8.0
98.03349	4.2
99.08078	4.3
105.07007	5.9
107.08585	11.8
109.06542	5.3
109.10152	5.6
113.24202	4.3
119.08582	19.3
121.10136	13.2
123.08033	4.5
133.10152	16.6
135.11668	6.3
139.11241	7.6
145.10130	6.4
147.11716	12.1
149.13190	5.0
151.11163	14.2
159.11731	10.4
165.12788	13.8
169.12262	14.1
173.13293	9.5
175.11139	3.6
175.14822	10.9
177.16449	5.1
193.15878	22.5
199.14864	4.2
203.14378	5.6
216.02922	11.6
217.01369	4.7
217.15906	5.7
221.15414	9.9
235.02190	4.1
277.21539	7.2
285.22183	16.0
291.23218	14.2
303.23175	46.1
304.23709	5.0
321.24228	100.0
322.24506	5.5
353.17276	9.7
412.30597	8.0
413.19330	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05023	1.0
57.11930	0.4
69.03404	0.4
70.06597	3.1
71.04966	0.4
74.06069	2.2
74.88496	0.3
85.02906	1.0
86.09689	1.4
102.05529	1.5
111.07630	0.4
119.03506	3.3
120.06567	10.2
127.03884	0.5
136.06169	100.0
137.04556	1.7
137.06493	1.3
162.04092	66.5
163.04413	0.8
173.09230	1.2
177.05470	0.7
177.08849	0.4
281.09900	55.6
282.10281	2.0
288.29245	0.5
294.07953	0.5
336.72916	0.4
413.10190	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	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42971	0.5
57.03423	2.5
66.41718	0.5
67.08779	0.5
69.03427	2.4
69.93394	1.2
69.93754	0.9
70.06591	1.0
73.02913	4.9
85.02909	3.5
92.71870	0.5
97.02888	3.1
111.83723	0.5
115.03942	3.1
121.06480	0.6
123.08060	7.4
127.03909	1.2
130.05003	0.8
133.04929	1.0
133.06470	1.0
145.04903	1.2
151.03886	0.5
151.07516	6.4
152.07846	0.5
155.78970	0.5
160.93279	0.5
162.07684	0.6
163.03871	1.0
163.06065	0.7
173.05475	0.6
191.06757	2.2
201.03656	1.2
203.05252	76.1
204.05620	1.6
229.42499	0.5
234.76746	0.5
315.78665	0.5
353.12039	100.0
354.12393	5.8
405.39825	0.6
413.14056	67.3
414.05908	0.6
414.14420	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	413.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85540	3.8
57.07064	5.5
58.98055	3.9
65.75744	4.1
68.85525	4.3
69.27985	4.8
69.41170	3.9
69.71139	20.1
82.01268	4.7
132.77322	4.3
195.18781	4.0
263.87350	4.3
353.17126	15.6
412.33902	16.6
413.19156	100.0
413.34058	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	413.1931
Annotation	Bisindolylmaleimide I
Peak:m/z	Relative Intensity
54.87744	0.8
67.05518	0.9
69.41103	4.1
69.41496	0.9
78.13325	1.0
82.45489	0.9
88.34214	0.9
93.81813	0.8
95.04993	1.5
95.70552	0.9
155.54231	0.8
163.78055	0.8
171.51282	1.1
173.13365	0.9
230.83081	0.9
353.17191	22.2
354.17612	1.4
361.73062	1.0
413.19312	100.0
414.19742	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	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09864	1.9
53.03938	3.0
55.01854	3.0
55.05506	6.3
57.03429	6.3
57.07061	5.2
59.04992	5.0
61.02911	3.9
67.05507	7.6
69.03071	1.6
69.03428	23.4
69.07066	2.2
69.27942	6.8
70.06595	1.7
71.04975	2.9
73.02901	2.9
79.05502	3.7
79.21904	1.3
79.60373	1.3
81.03428	7.7
81.07051	8.4
83.04962	5.7
85.02901	33.9
85.06539	15.1
87.04454	3.1
88.39488	1.4
91.03963	1.4
91.05476	6.0
93.07038	9.3
95.04944	4.7
95.08612	8.1
97.02888	13.7
97.06522	2.0
99.04428	3.3
101.05972	3.1
105.07022	9.7
107.08558	4.2
109.02872	5.1
109.06509	9.2
109.10130	4.8
111.08070	5.5
114.31698	1.5
117.03362	1.7
117.06981	2.0
119.08557	5.0
121.06501	4.4
121.10131	2.9
123.08058	72.2
123.11672	5.4
124.08409	1.7
125.05988	1.6
125.09620	6.3
127.03899	6.3
129.06955	2.2
131.08559	9.5
133.06461	3.1
133.10098	3.9
135.04405	4.6
135.08022	4.8
135.11681	2.9
137.09608	4.2
141.09102	18.6
145.02855	2.5
145.04929	2.7
145.10089	4.8
147.08066	2.9
147.11687	1.6
149.09605	24.0
151.07500	3.6
151.11179	6.3
159.08023	3.5
163.03893	11.7
163.07489	2.4
164.04237	5.6
165.04439	5.8
165.09114	3.5
167.10658	2.7
173.09575	2.5
175.11064	1.9
177.09077	3.2
177.12689	2.3
199.11169	1.7
203.05263	10.4
205.15828	6.1
215.14340	7.2
226.09798	2.0
227.10617	5.0
228.65448	1.7
233.15335	100.0
234.15829	3.0
238.19728	1.6
251.12387	1.9
251.16435	24.7
353.12018	29.6
354.12415	2.3
369.15302	5.0
413.13696	14.6
413.21729	37.2
414.14264	2.7
414.21814	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	413.2169
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
52.09864	1.9
53.03938	3.0
55.01854	3.0
55.05506	6.3
57.03429	6.3
57.07061	5.2
59.04992	5.0
61.02911	3.9
67.05507	7.6
69.03071	1.6
69.03428	23.4
69.07066	2.2
69.27942	6.8
70.06595	1.7
71.04975	2.9
73.02901	2.9
79.05502	3.7
79.21904	1.3
79.60373	1.3
81.03428	7.7
81.07051	8.4
83.04962	5.7
85.02901	33.9
85.06539	15.1
87.04454	3.1
88.39488	1.4
91.03963	1.4
91.05476	6.0
93.07038	9.3
95.04944	4.7
95.08612	8.1
97.02888	13.7
97.06522	2.0
99.04428	3.3
101.05972	3.1
105.07022	9.7
107.08558	4.2
109.02872	5.1
109.06509	9.2
109.10130	4.8
111.08070	5.5
114.31698	1.5
117.03362	1.7
117.06981	2.0
119.08557	5.0
121.06501	4.4
121.10131	2.9
123.08058	72.2
123.11672	5.4
124.08409	1.7
125.05988	1.6
125.09620	6.3
127.03899	6.3
129.06955	2.2
131.08559	9.5
133.06461	3.1
133.10098	3.9
135.04405	4.6
135.08022	4.8
135.11681	2.9
137.09608	4.2
141.09102	18.6
145.02855	2.5
145.04929	2.7
145.10089	4.8
147.08066	2.9
147.11687	1.6
149.09605	24.0
151.07500	3.6
151.11179	6.3
159.08023	3.5
163.03893	11.7
163.07489	2.4
164.04237	5.6
165.04439	5.8
165.09114	3.5
167.10658	2.7
173.09575	2.5
175.11064	1.9
177.09077	3.2
177.12689	2.3
199.11169	1.7
203.05263	10.4
205.15828	6.1
215.14340	7.2
226.09798	2.0
227.10617	5.0
228.65448	1.7
233.15335	100.0
234.15829	3.0
238.19728	1.6
251.12387	1.9
251.16435	24.7
353.12018	29.6
354.12415	2.3
369.15302	5.0
413.13696	14.6
413.21729	37.2
414.14264	2.7
414.21814	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05815	0.2
50.18074	0.2
53.03928	1.0
55.01875	0.6
57.03441	0.5
61.02910	0.5
65.03920	0.5
68.99763	0.5
69.03429	4.3
69.35067	0.8
69.35467	0.6
70.06567	0.3
70.18697	0.2
71.04974	0.7
73.02898	0.7
77.03888	0.3
79.05491	9.4
81.03418	3.9
85.02905	4.3
87.00838	2.5
91.05467	0.6
92.04976	0.6
93.07045	3.5
95.04945	0.6
97.02884	1.7
98.22752	0.5
99.04438	1.0
105.01850	0.8
105.07038	0.4
106.06503	0.9
107.08583	0.3
109.02882	3.1
109.06494	0.4
110.06035	8.3
112.53798	0.2
117.01865	0.3
121.10143	1.2
125.09592	0.8
127.03919	3.8
129.01773	0.3
137.09575	0.3
145.04947	0.9
148.11188	1.0
151.11189	1.0
159.02885	1.3
163.03885	0.3
166.12265	100.0
167.10417	0.7
167.12610	3.8
179.10713	1.2
197.11734	0.3
213.04025	0.3
231.04974	0.4
235.16898	0.8
253.17996	0.5
328.17648	0.5
329.15817	0.4
354.12393	0.8
370.18610	0.7
371.16772	2.2
414.17606	10.0
415.15628	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95684	1.3
53.03930	2.1
54.84857	1.2
55.01869	2.2
56.53715	1.2
57.03435	52.9
59.05005	2.0
60.04535	2.6
60.10942	1.4
61.02926	16.6
69.03427	41.2
70.06605	2.2
70.78716	2.5
71.01351	6.0
73.02914	100.0
73.52129	1.3
81.03414	6.0
84.04492	2.0
85.02901	74.0
85.06551	2.1
87.04469	5.4
91.03952	3.6
97.02890	71.0
98.06068	2.1
99.04463	4.3
101.97165	1.4
109.02889	4.1
115.03115	3.4
115.03923	64.1
126.05500	1.7
127.03904	27.3
127.04865	1.7
132.06567	2.2
133.04967	14.4
144.06538	10.3
145.04944	42.1
150.07623	5.4
156.06474	1.7
162.07578	6.9
163.05997	13.2
180.08684	9.0
199.06090	1.5
203.05316	8.2
204.05702	4.1
223.06033	4.3
241.07100	5.7
247.11693	2.6
252.12161	2.5
259.08130	4.2
275.03632	1.5
276.10892	2.8
294.11743	2.4
328.05566	2.2
354.12430	12.8
357.15256	1.7
370.06876	2.4
414.05579	5.1
414.17868	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.30079	0.9
55.01872	2.0
55.05515	1.0
57.03433	28.5
58.87444	1.0
59.51031	1.1
61.02924	16.1
67.05501	1.1
69.03426	32.3
69.38142	1.0
70.03755	1.2
71.01347	2.7
71.04983	2.8
73.02914	59.2
77.70862	0.9
79.05526	1.4
81.03426	6.3
81.07100	1.9
85.02901	100.0
85.06542	1.2
86.03224	1.5
87.04465	2.9
88.03981	1.0
91.03959	5.3
91.05450	1.3
93.07038	1.1
93.70949	1.0
97.02258	2.5
97.02888	48.4
99.04437	4.8
101.02386	1.4
103.03964	2.2
105.07041	2.2
109.02866	7.9
115.03926	29.3
119.08551	1.1
123.08073	4.6
124.08365	2.4
125.09668	1.2
127.03909	29.1
132.06500	1.6
133.04973	9.3
133.06073	2.6
135.08063	2.7
141.09096	1.5
145.04948	56.7
149.09583	2.0
150.07620	3.7
163.06017	25.2
163.07318	1.9
201.09055	1.2
223.05981	2.4
227.10510	1.2
233.15334	2.4
234.15700	7.3
241.07091	4.6
252.16844	1.7
259.08118	2.0
265.16464	2.5
293.77484	0.9
295.10217	1.3
371.16733	2.7
414.22134	3.4
415.15594	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	414.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97155	5.3
53.03946	5.0
55.01873	5.3
55.05500	11.8
57.03429	13.0
63.01531	4.9
67.05499	18.2
69.07061	8.8
70.06559	7.9
73.04726	6.4
77.89017	5.2
79.05486	11.8
81.03412	6.8
81.07069	9.3
83.04983	21.9
85.02928	5.7
91.05465	14.0
93.07018	13.7
95.04958	19.5
95.08614	5.7
97.02933	9.7
97.06557	6.8
105.07040	11.8
107.04955	6.0
107.08575	6.7
109.10174	11.3
111.04432	67.7
119.08559	17.5
121.10152	9.5
123.08029	6.5
131.08571	14.5
133.10117	22.8
135.08116	7.1
137.09558	7.7
139.03954	5.6
142.07581	6.2
143.08527	11.7
145.10159	11.0
147.11665	6.6
149.09612	10.4
151.11171	15.1
157.10117	10.8
159.08087	7.2
159.45964	5.0
161.09636	19.1
163.11223	6.8
167.08514	5.6
169.10033	6.5
171.11670	14.4
173.09656	10.0
173.13165	6.3
175.11238	8.4
177.12801	5.7
179.10728	6.2
185.09561	8.1
185.13232	12.6
189.12720	27.1
191.14360	8.3
195.11713	9.0
197.13216	9.5
199.11078	8.5
207.13791	14.9
211.11223	7.6
213.12758	15.4
215.14322	6.0
217.12320	13.7
227.14325	10.2
231.13794	10.0
235.13278	9.2
251.16472	49.7
255.17514	8.2
263.16394	19.5
265.15939	10.9
272.37363	5.5
283.16870	20.7
301.18008	15.3
311.16534	14.7
329.17514	100.0
330.17865	10.0
347.18454	57.7
361.20047	40.9
364.21066	39.2
370.15329	18.6
382.22128	11.0
414.14233	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12957	3.0
53.03935	7.4
55.01880	5.8
57.03431	13.6
61.02909	5.7
68.99794	4.7
69.03436	34.3
71.04972	4.5
71.16382	5.7
73.02905	7.0
76.86221	3.0
81.03415	28.7
82.73457	2.8
85.02902	76.0
86.09736	4.1
86.10288	3.9
87.00837	25.1
93.07022	3.3
97.02898	27.1
99.04441	11.6
105.01859	19.8
109.02885	27.4
111.16011	3.7
112.07607	6.7
123.08067	4.6
127.03908	42.3
129.01816	3.7
145.04939	14.4
149.05992	4.3
151.02283	4.0
151.11227	4.4
156.36284	3.2
159.02881	14.3
165.05452	3.5
167.07030	100.0
168.07278	3.2
179.10689	7.2
231.04956	4.2
297.58432	3.7
344.97607	6.4
415.19144	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	415.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
54.92266	2.5
55.01865	5.9
57.03415	5.2
57.32525	2.6
61.02920	5.3
62.76002	3.1
69.03434	34.8
71.04953	4.0
71.14566	3.3
73.02911	4.1
79.61369	3.2
81.03419	24.0
84.08175	2.8
85.02905	73.9
87.00831	25.5
94.55320	3.0
97.02898	19.6
99.04453	12.9
105.01842	16.0
107.08662	3.0
109.02885	22.0
112.07639	3.9
123.08076	3.6
127.03905	42.7
129.01816	5.7
133.10121	4.1
145.04893	12.9
150.96912	3.0
151.11252	4.7
159.02876	12.5
164.68900	2.8
167.07040	100.0
168.07349	3.5
169.82385	3.0
179.10689	5.2
220.27762	2.9
231.04999	9.2
310.96039	2.8
355.13089	3.1
366.58420	3.0
371.16397	5.2
373.05307	2.7
415.14880	6.6
415.19363	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78651	4.2
52.21079	4.5
55.84892	4.8
56.96562	19.0
57.03431	11.2
69.08566	40.9
70.06598	12.0
75.29153	5.0
77.21286	4.4
83.96834	4.5
84.96009	11.8
86.06064	26.7
87.04465	7.6
91.05483	4.9
93.07001	5.1
98.06051	35.3
98.22710	13.6
98.97578	81.0
100.51683	4.9
105.07017	5.0
108.04490	4.8
108.08134	13.1
110.06084	4.9
110.97557	18.5
116.98622	34.8
119.08562	11.1
124.07592	7.8
128.98622	17.8
136.07584	21.4
137.07820	7.7
137.09641	5.6
143.08540	6.9
145.10069	5.1
147.08040	6.8
149.01207	4.7
150.09099	7.8
154.07423	5.1
157.10092	10.8
158.99635	18.1
159.08061	6.2
161.09659	8.6
164.07030	24.9
165.07297	6.3
169.10115	5.4
171.11681	5.9
173.09566	9.3
175.11073	5.3
177.00754	12.9
179.47375	5.9
183.11633	6.6
185.09596	5.4
185.13148	8.1
186.10051	5.9
195.11632	6.0
197.09676	7.5
199.11185	10.0
211.11122	5.2
213.12750	10.8
214.13217	9.3
215.13820	5.0
219.01826	19.6
225.97542	5.9
227.14339	18.1
228.14679	14.2
237.02742	25.8
245.15437	12.1
246.15707	7.6
255.13916	6.3
265.15863	12.3
266.16153	11.2
283.16916	7.5
293.15329	14.9
294.15784	7.8
329.12732	16.7
347.13754	81.1
350.21167	6.0
351.21552	6.5
379.20935	17.2
389.15109	6.5
390.34250	5.1
396.21735	12.4
397.21973	25.9
414.22739	49.7
415.13950	28.6
415.23035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88008	0.5
58.20482	0.5
76.97363	0.5
100.11260	1.2
108.09872	0.6
151.01926	0.5
153.28525	0.5
167.10448	2.0
185.04181	0.6
195.09944	0.7
227.05263	1.0
271.04285	0.9
329.15692	11.6
333.99606	0.5
339.33905	0.5
353.15619	0.8
371.16766	48.0
372.17133	1.8
415.15710	100.0
416.16147	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99983	0.6
73.02901	0.6
79.05485	1.0
97.06494	0.7
99.01673	0.7
107.08563	1.6
124.75816	0.6
125.09602	2.7
126.20616	0.5
135.08041	1.3
149.43690	0.6
153.09100	9.3
155.04689	0.6
175.07269	0.7
178.93784	0.6
203.05251	100.0
204.05643	1.7
209.13596	0.7
355.13617	57.8
356.14001	3.8
415.15704	47.8
416.15918	2.5
426.42133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00519	0.8
54.29772	0.7
63.69226	0.8
64.24447	0.8
67.05484	0.8
69.85238	1.4
69.85629	1.5
72.69582	0.8
79.05481	1.0
81.07053	1.2
93.96480	0.9
103.14392	0.9
105.06995	2.3
111.66827	0.8
123.08057	1.1
135.08035	8.5
161.09589	1.1
162.23756	0.9
163.07600	0.8
163.11160	1.3
167.10495	2.3
231.13698	1.2
274.97430	1.4
311.14728	1.2
329.15668	9.7
337.18622	0.9
344.97739	1.2
358.54727	0.9
371.16742	41.8
372.17166	2.2
372.91492	0.9
415.15704	100.0
416.16043	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.59402	0.7
55.05495	1.0
67.05498	2.2
68.99783	1.3
69.03432	4.8
69.07040	0.9
70.06602	1.5
75.88931	0.7
79.05484	6.2
81.03389	3.7
81.07051	5.9
83.04987	2.8
85.02899	2.2
86.09708	1.9
87.00819	1.9
91.05471	4.9
93.07036	14.5
95.04971	2.0
95.08596	4.2
97.02901	5.2
97.06529	1.0
99.04462	1.6
105.01867	1.0
105.07019	4.7
107.04982	0.9
107.08590	5.1
109.02878	6.1
109.06521	1.6
116.41113	0.8
117.06996	1.6
119.08556	1.5
121.06520	1.5
121.10145	23.7
123.08075	1.3
123.11684	2.5
125.05978	1.4
127.03903	6.0
129.01782	1.2
131.08586	1.4
133.10127	0.8
135.08073	1.0
136.03912	0.9
139.11145	1.2
144.87283	0.8
147.04324	1.2
147.07973	1.3
149.09604	7.4
163.07564	2.0
167.10573	4.0
175.07640	1.0
189.09096	1.2
191.07042	2.4
194.68909	0.9
249.41571	0.8
257.11658	1.3
321.18057	0.8
329.15765	8.4
334.52332	0.7
371.16763	30.1
372.17178	2.4
386.21259	0.8
388.08490	0.9
415.15717	100.0
416.16135	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	415.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03943	3.3
55.01870	4.4
55.05503	4.4
57.03432	2.6
58.89238	1.5
59.04984	2.3
60.34578	1.6
61.02927	3.4
65.03927	2.5
66.12257	1.3
66.69955	1.5
67.05499	6.5
68.91167	1.4
68.99787	4.6
69.03423	16.2
69.07068	2.1
69.28902	1.4
70.06560	2.3
71.47590	1.2
73.02918	3.1
79.05485	24.2
81.03410	12.9
81.07051	27.5
83.04977	13.0
85.02886	8.9
86.00623	2.1
86.09710	7.9
87.00827	6.0
91.05469	17.4
93.07042	40.5
95.04978	10.6
95.08592	15.8
97.02896	16.0
97.06516	4.9
99.04449	4.0
103.05442	1.7
105.01876	1.9
105.07029	19.5
107.04961	3.3
107.08584	19.3
108.08922	2.1
109.02878	19.0
109.06510	5.9
109.10131	3.6
111.04432	3.0
115.05411	1.7
117.06999	4.9
119.08576	6.4
121.06501	7.0
121.10134	100.0
121.81055	1.4
123.02448	1.4
123.08069	3.0
123.11724	9.2
125.05978	10.3
125.09624	1.5
127.03898	15.8
129.01857	5.2
129.06998	1.8
131.08549	5.4
133.06500	3.2
133.10115	3.1
135.08049	5.9
137.05919	2.2
139.11171	4.1
145.10097	3.3
147.02907	2.7
147.08098	3.4
149.06058	3.5
149.09602	26.1
151.03918	7.9
157.10106	3.0
161.05984	2.0
163.03868	6.6
163.07555	6.7
167.10623	7.7
173.09662	2.0
177.05498	1.7
181.04994	3.7
191.07011	9.4
209.08012	2.5
211.11174	1.9
213.03932	3.0
223.09508	1.8
229.12225	4.0
233.02699	3.4
257.11633	2.3
275.12851	1.9
340.08560	3.2
344.97397	2.2
371.16626	5.3
415.11993	11.9
415.16006	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	415.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96836	0.4
70.08016	0.4
82.18136	0.5
95.05017	0.5
103.56444	0.4
107.08646	0.5
133.10030	0.5
146.06035	0.4
240.39386	0.5
355.18796	4.4
397.19675	0.5
415.20868	100.0
416.21219	6.6
433.22086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2088
Annotation	Lys Met His
Peak:m/z	Relative Intensity
64.91534	0.5
65.64302	0.4
70.25464	1.1
73.74252	0.6
81.03413	1.1
81.98077	0.5
93.37690	0.4
95.04957	1.3
99.88447	0.5
102.41254	0.4
107.08608	0.8
114.46095	0.5
119.08528	0.6
121.10146	0.9
124.33678	0.5
133.10196	0.5
135.11668	0.9
145.10072	0.5
163.11177	0.8
259.55695	0.5
337.17957	0.9
355.18765	24.4
356.19122	2.0
415.20877	100.0
416.21188	7.4
433.21799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46764	0.7
69.75253	2.1
73.73238	0.6
81.03416	2.1
82.36070	0.6
87.36630	0.6
91.05542	0.7
91.19788	0.6
93.07088	0.6
95.04974	2.4
95.08577	0.8
105.07025	0.9
107.08593	1.7
108.92639	0.6
121.10162	2.6
131.43265	0.6
135.11743	1.1
145.06561	0.7
145.10109	1.1
163.11169	2.5
175.14857	0.8
210.68344	0.7
297.18518	0.8
337.17697	2.9
355.18784	100.0
356.19128	7.0
415.20880	26.3
416.21457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
56.22754	1.4
57.03440	8.5
57.07069	4.7
58.27929	1.6
65.03919	1.9
67.05502	56.6
69.07066	11.4
69.62579	6.8
71.04977	2.0
71.08629	3.0
77.03907	1.7
79.05040	3.0
79.05489	49.0
79.05949	2.8
81.07053	63.0
83.08605	6.8
85.06524	3.1
91.05466	33.6
93.07041	65.1
94.07373	2.1
95.04952	7.0
95.08598	51.2
96.08957	1.7
97.06507	3.6
97.10154	2.9
98.98463	91.9
99.08095	3.4
99.72021	1.5
105.04514	2.0
105.07030	23.1
107.08592	38.7
108.08849	1.7
109.06528	2.3
109.10152	22.2
111.08054	2.9
116.99467	1.7
117.07014	12.7
119.08575	80.1
120.08925	2.4
121.10139	32.8
123.11716	8.4
127.11170	1.7
131.08545	19.7
133.10126	15.4
135.08116	1.9
135.11691	27.4
137.09642	2.2
137.13269	5.2
145.10104	17.2
147.11664	14.7
149.09546	1.8
149.13254	31.6
151.11169	3.2
151.14780	2.7
155.01031	94.0
159.11690	18.6
161.13251	9.4
161.46274	1.7
163.11171	2.0
163.14799	17.2
165.12764	2.4
169.59972	1.7
173.13234	18.1
175.14781	5.5
177.16370	3.8
179.14450	1.6
187.14836	10.9
197.69202	1.5
201.16359	3.8
205.15868	2.1
219.17567	1.6
233.22641	3.8
243.21072	37.1
244.21393	2.3
261.22125	100.0
262.22476	6.9
263.14758	1.4
415.22787	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	416.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99289	2.0
57.03416	1.9
69.03417	3.0
69.39140	6.5
70.06576	3.1
71.22270	1.4
81.03416	33.3
81.07049	3.6
85.02906	5.8
87.04443	2.1
91.05478	12.3
93.07053	1.8
95.04954	6.7
97.02886	3.6
105.03394	3.9
109.02888	2.7
109.06532	13.0
115.75261	1.5
119.04955	8.2
123.04417	10.4
127.03124	9.6
137.05974	26.5
137.08379	1.7
147.04407	4.0
155.02573	16.4
159.02026	2.3
165.05478	100.0
166.05826	1.7
180.08699	1.7
183.02078	6.8
201.03128	78.4
202.03423	1.6
219.04173	21.1
256.75986	1.6
416.16220	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	416.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.4
67.05518	2.3
69.03423	5.3
69.07060	4.5
69.31254	1.7
70.06576	2.4
79.05486	2.0
80.05018	6.2
81.03433	4.0
82.06575	9.4
83.04995	8.1
84.04525	2.2
85.02915	3.6
88.02229	2.3
90.47698	1.8
91.05434	4.9
93.07050	5.4
95.04994	4.2
96.04491	3.3
97.06531	5.2
98.06047	7.2
104.94203	2.1
105.07018	12.8
107.34858	1.8
108.04494	11.0
110.06040	21.2
114.03761	7.9
115.05457	3.0
117.07020	4.5
121.06485	12.2
126.05527	7.4
128.06245	2.2
129.07027	4.6
131.08582	3.7
133.06499	11.3
135.04361	4.6
136.03935	4.6
138.05534	3.8
141.06956	2.8
142.03235	38.0
142.07834	9.1
142.43483	1.8
143.08553	5.3
144.04793	5.4
145.06488	28.4
145.10156	2.4
154.04990	30.5
155.08585	6.2
156.09308	5.8
157.10101	3.3
158.07259	4.9
159.08057	35.1
161.05981	18.7
166.07739	3.0
167.08603	2.2
168.05675	2.1
168.09294	3.2
169.06548	3.8
170.02739	4.1
171.08028	8.0
171.11655	3.4
172.04272	8.0
172.08658	2.9
173.05969	12.5
173.09703	2.6
174.06802	3.6
178.07826	3.2
181.06497	9.6
181.10182	2.9
182.06369	6.8
183.07993	12.3
183.11726	3.5
184.08823	18.2
185.09601	20.2
186.02100	2.7
186.10345	4.0
187.07547	18.4
187.11212	7.4
188.03761	21.2
190.05391	2.4
193.10106	3.6
195.08092	2.9
196.08821	20.6
197.09625	7.5
199.07550	3.5
199.11189	29.1
201.12758	12.4
209.09573	4.5
211.11176	80.1
212.08405	15.9
212.11800	8.0
213.09071	5.7
215.10681	3.5
218.63358	1.9
221.05301	1.9
227.10652	100.0
228.11011	4.8
229.12222	86.0
230.12737	6.0
243.08339	4.1
245.09908	14.5
253.76384	1.9
261.09369	13.1
263.10989	24.4
335.09476	3.2
398.14166	5.6
416.15179	23.9
416.19824	8.0
438.22021	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	416.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
58.99591	2.5
69.07065	7.3
70.06580	3.3
70.40639	3.4
80.05017	4.3
82.06584	2.4
83.04999	9.7
88.02237	2.7
91.05491	5.8
93.07088	4.4
95.04983	3.3
97.06524	11.8
105.07023	17.9
110.06034	20.9
114.03753	4.3
117.06983	3.3
121.06480	10.8
123.85697	2.2
126.05555	4.9
128.06207	3.9
129.06998	3.2
133.06454	13.7
135.04460	5.5
135.08057	2.5
136.03941	2.8
138.74525	2.3
142.03200	17.9
143.08566	3.0
145.06456	30.6
154.04994	12.2
155.08568	2.0
157.10078	3.1
159.08090	5.9
161.05966	21.8
168.09322	6.6
171.08022	3.3
172.04198	2.5
172.08839	2.8
173.05965	11.8
173.09628	2.0
174.06703	2.9
175.07385	3.0
181.06520	6.3
183.08011	4.0
183.11653	2.4
185.09578	2.7
186.10365	3.4
187.07524	6.1
187.11147	5.9
188.03769	8.4
195.08018	3.1
196.08797	16.5
197.09596	4.0
199.11208	6.1
199.60141	2.4
201.12737	13.5
209.09767	2.7
211.11162	64.9
212.11862	8.5
214.71902	2.1
227.10660	8.3
229.12222	100.0
230.12473	5.1
231.09152	2.4
243.08548	2.4
245.09885	16.3
252.91805	2.2
303.01767	2.3
374.54465	2.4
398.14270	11.5
403.73349	2.1
416.15247	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	416.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86229	0.5
66.19956	0.5
70.59907	0.6
93.07019	0.6
119.76608	0.5
163.11151	0.5
238.87622	0.6
355.18686	1.7
356.19150	14.4
357.19379	0.8
372.66406	0.5
398.20206	0.9
403.21475	0.5
416.21231	100.0
417.21500	6.1
434.21747	0.6
441.34052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86229	0.5
66.19956	0.5
70.59907	0.6
93.07019	0.6
119.76608	0.5
163.11151	0.5
238.87622	0.6
355.18686	1.7
356.19150	14.4
357.19379	0.8
372.66406	0.5
398.20206	0.9
403.21475	0.5
416.21231	100.0
417.21500	6.1
434.21747	0.6
441.34052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.7
57.03413	4.3
67.05497	4.0
69.07063	3.8
69.76904	5.6
69.77299	6.1
70.06591	29.7
76.64874	2.9
79.05468	5.5
81.03411	13.3
81.07048	10.9
81.14375	2.9
83.57514	2.9
86.09676	3.6
91.05454	3.9
93.07034	7.0
95.04948	10.8
95.08607	4.4
105.07001	8.1
107.08596	6.7
109.06512	6.8
109.10173	4.9
119.08566	7.3
121.06505	5.9
121.10128	9.7
123.08108	4.7
123.91351	3.1
130.73259	3.2
131.04942	2.8
133.10133	4.3
135.08057	5.5
135.11592	4.0
142.02498	2.7
143.08522	3.7
144.16562	2.6
144.55600	3.1
145.06458	4.1
145.10153	5.2
147.11736	3.5
157.10092	6.5
159.11678	4.9
161.06026	3.2
161.09599	5.0
163.11134	3.3
169.10114	4.0
173.13252	6.0
175.14856	4.9
185.13263	4.9
187.14815	6.8
194.11772	8.7
197.13191	6.5
203.14290	6.8
205.15887	4.5
239.14267	3.4
279.17355	7.2
297.18451	4.4
303.23172	8.3
321.24179	8.5
355.18857	4.8
356.19095	34.4
357.20261	23.3
399.17560	4.3
416.15939	6.3
416.21152	100.0
417.18582	57.1
417.22589	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	417.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67047	1.2
53.62706	1.2
55.05512	2.7
56.05023	2.1
58.81516	1.1
61.02919	1.5
61.40902	1.2
69.03458	1.5
70.06599	8.8
72.07792	2.2
72.08154	26.2
74.06072	2.0
81.03429	1.6
84.08134	3.3
85.02882	4.3
86.09706	19.3
87.10041	1.8
105.07063	1.9
105.42375	1.2
106.88493	1.2
107.04940	1.8
107.08637	1.4
110.07157	1.8
123.05579	1.4
129.10226	4.4
130.05060	1.4
133.06090	5.7
143.11784	3.7
145.04968	2.3
150.43867	1.4
171.11261	5.9
171.15021	1.5
181.05060	1.4
199.14426	3.1
219.13506	1.7
224.13818	1.8
229.11884	1.5
246.14534	5.4
279.05301	1.3
374.41031	1.5
417.11539	100.0
418.11560	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	417.1156
Annotation	Trovafloxacin
Peak:m/z	Relative Intensity
53.67740	1.3
54.07538	1.3
61.02921	2.0
61.85920	1.5
69.03419	3.7
69.39745	5.6
70.06580	1.5
73.72748	1.3
85.02904	19.1
86.03234	3.4
86.09701	1.9
97.02898	4.9
109.02908	1.4
112.97102	1.5
117.96743	1.3
127.03918	5.1
145.04944	10.2
146.05312	1.8
149.13655	1.5
151.03912	1.8
163.06046	5.0
169.04951	2.7
175.21320	1.6
195.70564	1.3
211.95088	1.4
255.02859	1.8
261.14191	1.5
297.06860	1.6
417.11548	100.0
418.11813	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	417.1159
Annotation	Trovafloxacin
Peak:m/z	Relative Intensity
98.97617	7.1
116.98593	3.5
123.94091	4.2
127.03932	4.6
134.00902	4.0
136.87239	4.1
164.13380	4.1
167.06908	4.9
193.85509	5.0
214.09720	4.1
373.12457	7.9
417.11505	100.0
417.16711	5.1
418.12088	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	417.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
55.01844	0.7
55.05475	0.3
57.03436	1.4
60.99779	0.3
61.02898	0.9
65.03907	0.6
69.03429	3.3
71.04972	0.5
73.02914	3.1
78.03430	0.4
79.02947	0.4
80.05002	0.3
81.03416	2.1
81.04520	0.6
81.07034	0.3
82.06552	0.4
83.06104	2.6
85.02901	6.8
86.09686	0.4
87.00830	1.6
91.03953	0.4
91.05444	0.5
92.05003	2.3
95.06075	1.4
96.04454	1.2
97.02892	3.3
99.04424	0.8
100.25873	0.3
105.01839	0.6
105.06981	0.6
107.08527	0.6
108.06830	0.6
109.02877	1.6
109.03981	0.4
109.74298	0.3
110.06019	1.2
115.03912	2.6
118.05284	0.3
118.39766	0.3
119.06064	4.2
121.07604	1.3
123.05543	3.9
123.09193	7.2
127.03909	2.7
133.04926	0.5
135.05614	0.4
135.08018	0.4
136.06285	0.6
137.07033	0.4
145.04930	2.8
151.08658	100.0
152.09045	2.8
159.02832	0.6
163.05986	0.3
169.09726	15.9
170.10077	0.6
180.11008	0.3
185.04135	0.4
227.05199	0.4
245.06253	0.3
289.05396	0.3
323.90588	0.3
331.17447	0.5
333.07904	0.3
373.14160	0.5
373.18329	2.7
417.17517	12.0
418.17993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15032	1.3
55.05500	2.8
56.06252	1.3
57.03427	3.6
57.07076	2.9
57.71202	1.3
59.49258	1.2
59.72992	1.2
62.54675	1.4
64.46762	1.2
67.05497	13.6
69.03438	7.5
69.07062	3.0
70.62826	2.6
72.39327	1.2
76.47075	1.5
79.05489	9.1
81.07050	15.7
83.04974	2.2
83.08624	3.1
86.82896	1.9
91.05473	25.3
93.07032	5.5
95.04966	5.3
95.08604	15.9
97.02882	4.0
97.10207	1.4
98.98463	21.3
105.07037	18.2
107.04965	3.3
107.08583	4.6
109.02903	3.3
109.10164	9.4
113.00009	20.7
115.05427	8.1
117.06997	5.9
119.04946	3.3
119.08583	23.8
121.06510	19.5
121.10159	2.1
123.08045	3.0
123.11697	2.6
126.90408	1.3
128.06224	4.4
129.06989	9.9
131.08542	4.5
132.05730	9.1
133.06520	3.2
133.10138	3.3
135.04396	4.3
135.08049	14.9
135.11693	1.9
141.06984	2.4
142.07761	2.0
143.08507	3.1
145.06487	15.3
146.07236	4.6
147.04431	9.4
147.08040	100.0
147.11595	2.2
148.08379	4.2
149.05969	24.1
149.13252	2.5
151.14799	1.4
153.06969	1.7
154.07803	2.6
155.01031	24.3
155.08525	3.6
158.07253	5.4
159.08081	7.8
161.05981	15.7
161.09605	27.3
165.06973	4.7
166.07777	4.0
167.08595	1.7
169.02611	19.1
169.06444	1.5
169.09998	2.1
171.08047	4.7
172.08809	3.8
173.06026	2.8
173.09602	4.4
175.07507	7.2
175.14763	2.3
178.07799	3.9
179.08575	3.8
180.09305	3.9
181.06468	2.0
181.10016	2.2
182.07233	2.4
183.08060	4.9
184.08841	3.0
185.05963	3.1
185.09625	3.4
186.10423	6.1
187.07512	3.2
187.11172	3.4
193.10106	3.6
195.08060	5.3
195.11620	1.8
196.08842	6.8
197.05908	1.8
197.09615	6.9
198.10272	2.8
199.07542	4.0
199.11137	6.7
200.08315	1.9
201.09102	1.9
201.12729	5.5
202.07794	1.4
208.08896	2.5
209.09593	17.4
210.10280	1.9
211.07529	3.1
211.11183	9.6
212.08163	7.1
213.09035	3.0
213.12740	4.1
214.09833	3.2
215.10716	5.6
221.09602	6.0
222.06761	2.8
223.07520	2.3
223.11134	6.5
224.08376	9.9
224.11780	4.0
225.09071	6.8
225.12801	1.8
226.09901	4.6
227.06985	7.2
227.10547	7.9
229.12245	11.2
237.09035	11.8
238.09810	1.7
239.07036	2.9
239.10654	58.4
239.88533	1.4
240.07748	7.0
241.08540	4.4
241.12242	5.1
242.09329	6.3
243.10146	4.9
244.10747	2.5
245.09543	2.2
245.22546	6.9
246.10335	1.6
248.08507	1.6
249.09122	8.7
251.10545	2.7
252.11470	15.2
253.12115	1.4
255.10144	60.3
256.10574	3.2
257.11713	5.7
259.11078	1.6
263.10699	2.7
263.23715	10.5
264.11414	2.0
267.10159	18.5
269.11639	3.3
273.08994	1.5
277.08533	5.0
279.13925	3.3
285.08295	1.4
288.11417	4.4
292.14618	10.4
293.15451	7.3
295.09531	8.9
297.12613	1.9
299.10779	2.7
301.08752	1.9
303.13757	12.4
305.91742	1.3
307.13315	4.4
313.11917	2.1
316.10846	2.1
317.11731	2.1
323.10614	1.8
328.14508	3.0
329.15472	1.7
331.13177	5.6
333.18491	2.1
335.12607	4.0
338.12842	1.6
341.11627	3.1
343.16904	4.0
344.10291	4.1
355.13196	1.9
357.14899	2.6
359.12744	20.4
361.17944	4.2
371.16388	20.8
381.14789	1.4
389.17429	24.1
390.17337	2.7
399.15845	20.2
400.16177	2.8
417.16971	33.7
418.17258	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	417.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37794	2.5
72.06396	0.5
76.60912	0.4
133.28535	0.5
164.71896	0.4
167.07036	1.3
169.12048	1.1
181.05090	0.5
185.04231	1.3
227.05330	1.7
253.47194	0.5
257.39435	0.5
331.17267	8.0
332.17880	0.7
355.17218	0.8
373.18286	40.2
374.18689	1.8
417.17267	100.0
418.17694	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	417.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62057	0.8
69.62450	1.2
87.67831	0.4
107.66243	0.5
169.12016	1.7
185.04047	0.5
189.23451	0.5
211.13240	0.6
227.05183	1.4
271.04300	1.1
318.71094	0.5
331.17151	5.8
355.17188	1.2
373.18298	47.2
374.18747	2.9
417.17264	100.0
418.17633	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	417.1749
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	4.7
53.83076	0.7
54.08097	0.8
55.01862	1.7
55.05505	10.0
57.03442	4.4
57.07067	8.9
59.04988	1.8
61.02920	6.9
65.03905	1.0
67.01853	0.9
67.05495	32.8
68.99786	6.3
69.03420	14.3
69.07056	12.5
70.06631	0.9
71.04988	11.4
71.08624	0.9
71.13998	0.8
72.00169	1.0
79.05489	8.9
81.03411	20.5
81.07047	100.0
82.07385	2.0
83.04980	2.2
83.08589	4.1
85.02902	15.1
85.06535	30.0
86.09702	1.6
87.00822	6.9
91.05467	4.6
93.07033	14.0
95.04966	14.1
95.08598	13.7
95.54343	0.9
97.02881	11.7
97.06477	1.2
97.10168	6.4
99.04448	4.1
99.08099	2.8
100.11289	1.6
101.02347	5.7
105.01888	1.6
105.07029	5.5
107.08582	10.4
109.02868	21.0
109.06503	4.1
109.10141	57.0
111.04443	1.2
111.08132	1.6
111.15080	0.8
115.03889	1.0
119.03407	12.2
119.08556	1.7
121.06505	2.4
121.10125	4.5
123.04433	1.0
123.08078	1.8
123.11692	61.7
124.12083	1.4
125.09618	4.1
127.03902	24.4
127.11178	59.4
128.11555	2.1
128.24971	0.8
129.01805	10.2
131.08508	1.0
133.10120	8.6
133.69788	0.8
135.11705	1.8
138.05467	1.3
139.11198	1.7
141.12689	1.2
145.05000	2.0
145.06421	0.9
147.02869	4.7
147.04391	2.1
147.11725	0.8
149.09602	1.4
151.03922	1.4
151.11165	14.8
153.01878	1.4
153.12721	1.7
153.23900	1.0
163.03928	1.0
163.11211	1.3
167.07025	4.2
169.12216	31.8
170.12509	1.2
171.11642	1.0
173.04395	1.0
173.09590	1.0
173.49432	0.9
181.04910	1.2
187.13312	6.5
203.07143	1.3
210.15033	1.2
213.03970	2.0
213.12730	0.9
215.14067	0.9
231.13828	2.8
242.53865	0.9
249.14955	1.0
259.13348	1.4
277.14398	1.7
313.16147	1.2
337.21213	1.2
373.18436	2.0
399.20270	1.3
399.24780	1.7
417.17133	16.1
417.26639	1.8
418.17416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2039
Annotation	Kopsifoline C
Peak:m/z	Relative Intensity
55.93958	2.8
57.62562	3.0
67.05473	3.6
69.64064	12.2
69.64402	4.8
74.93290	2.9
77.33865	3.4
81.03442	4.4
81.07028	4.1
84.08150	5.9
91.05483	4.2
93.07013	4.1
95.08640	4.6
98.22709	5.9
107.31186	2.8
119.08591	14.0
120.08887	6.5
123.97994	3.1
133.10155	3.9
183.08038	4.1
215.87000	3.0
297.18347	5.1
417.20337	100.0
418.20773	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	417.204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39778	6.2
80.42915	3.5
81.07053	7.6
109.49042	4.1
109.50804	3.6
119.08638	5.6
120.95651	4.6
126.28109	3.8
154.30295	3.7
205.79774	4.2
417.20355	100.0
418.21277	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	417.204
Annotation	Kopsifoline C
Peak:m/z	Relative Intensity
70.39778	6.2
80.42915	3.5
81.07053	7.6
109.49042	4.1
109.50804	3.6
119.08638	5.6
120.95651	4.6
126.28109	3.8
154.30295	3.7
205.79774	4.2
417.20355	100.0
418.21277	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	417.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54272	0.6
53.69230	0.5
54.09479	0.6
56.33122	0.6
56.56793	0.6
59.98110	0.6
66.38741	0.5
69.78709	2.6
74.81868	0.6
81.07054	1.2
93.07038	0.9
109.10100	1.0
133.10104	0.8
141.86760	0.6
142.03239	1.8
146.24562	0.7
182.06389	2.5
183.06567	0.9
191.14256	1.0
210.18082	0.6
228.06773	0.8
229.12288	0.9
230.12592	1.1
331.85431	0.6
357.20346	13.8
358.20728	0.9
366.29861	0.7
417.22479	100.0
418.16885	1.1
418.22742	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	417.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62170	7.3
55.01859	6.7
55.05501	10.9
56.87388	5.6
57.03434	7.9
57.07067	14.9
57.43085	5.4
58.31721	5.5
58.69354	5.1
60.02129	5.2
67.05496	56.2
69.03426	7.8
69.07050	14.1
69.25361	27.4
70.06596	29.9
71.08646	6.2
72.08125	5.4
78.76177	6.0
79.05498	18.2
81.03411	20.4
81.07054	44.7
83.08601	14.9
86.06080	8.8
87.04471	20.4
88.07608	14.5
91.05477	22.5
93.07045	19.4
95.04969	69.4
95.08601	41.1
98.98466	45.8
99.88044	6.3
104.07108	27.7
105.07004	27.4
107.08601	12.9
109.06501	10.2
109.10139	23.6
111.08039	13.7
117.07008	7.6
119.08601	29.8
120.08837	7.0
121.10145	17.5
123.08090	7.2
123.11679	12.7
129.06953	6.9
131.04922	14.5
131.08562	9.8
132.10159	8.7
133.10115	25.7
135.08035	11.4
142.07721	7.8
143.08530	19.1
145.06404	6.5
145.10110	16.4
146.11780	8.7
147.07997	7.2
153.06982	7.1
155.01028	35.6
155.08603	11.9
157.06476	6.6
157.10095	10.2
159.08070	8.7
161.09625	18.4
169.10036	7.4
171.08012	16.1
172.08611	7.2
173.09619	18.4
173.13257	8.9
175.11157	5.5
175.14798	7.0
177.09106	10.5
183.08060	13.4
185.09625	38.2
187.07645	7.0
187.11176	24.9
187.14728	7.7
189.09108	35.8
197.09538	23.5
197.13277	7.3
199.11165	19.4
203.14334	6.6
209.09511	13.9
211.11159	33.6
212.11967	8.7
213.12703	6.6
215.14340	31.8
223.11229	5.8
225.12691	10.1
227.10692	18.1
229.12257	28.7
236.12152	6.7
239.14261	70.0
253.15996	8.4
254.16592	36.8
255.17357	30.3
263.23593	13.8
264.14740	7.2
279.17374	28.6
297.18488	54.0
305.26889	6.4
312.32504	12.1
356.35147	35.2
416.35849	7.1
417.36719	8.5
418.38852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05510	11.0
55.64283	0.8
57.03433	6.6
57.07080	4.3
58.20540	0.8
65.03954	1.2
67.05502	49.6
68.05861	1.1
69.07063	11.0
69.47694	3.9
71.05001	1.6
71.08630	2.6
79.05491	19.2
81.03421	2.3
81.07053	62.6
81.93156	0.9
83.04991	2.2
83.08620	9.1
85.06534	1.3
85.10177	1.4
91.05480	10.6
93.07034	15.9
95.04942	2.1
95.08601	55.9
96.08953	1.2
97.06522	4.7
97.10171	4.1
98.22771	1.8
98.98463	88.5
99.08089	3.1
103.47722	0.7
105.07017	6.9
107.08587	11.5
107.09258	1.1
109.10152	29.3
111.08088	3.1
111.11733	1.3
112.04960	0.9
113.09684	1.4
116.99519	1.7
119.08572	9.4
121.10123	11.7
123.08060	1.4
123.11705	13.1
123.12550	1.4
127.11253	1.4
131.08536	1.3
133.10121	9.4
135.11690	8.9
137.09598	1.4
137.13222	6.9
141.12723	1.0
145.10103	0.9
147.11664	7.2
149.13251	8.1
151.14799	7.0
153.12624	0.9
155.01030	100.0
161.13240	6.2
163.14813	6.1
165.16379	5.0
167.14375	1.0
175.14816	4.8
177.16338	1.4
179.17944	2.0
181.15898	0.9
189.16405	3.2
192.33598	0.9
203.17943	1.1
204.16333	0.9
217.19356	1.4
245.22641	21.3
263.23688	50.2
264.24088	2.3
417.16711	1.8
420.28018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06704	9.1
55.05503	19.4
67.05492	28.1
70.00562	22.7
73.04769	10.1
79.05482	34.2
80.91571	9.8
81.07038	50.7
91.05461	33.7
93.07033	52.4
95.04968	17.7
95.08614	59.3
98.98425	15.3
105.07023	73.7
107.08610	66.2
109.06527	96.3
109.10130	37.2
113.14320	10.0
117.07038	14.9
119.08559	93.5
120.08906	10.1
121.10143	73.6
123.08068	15.8
123.11657	22.6
126.90638	10.3
128.06227	10.5
129.06975	17.8
131.08546	45.4
133.06580	12.1
133.10104	98.7
135.08025	19.4
135.11694	47.1
141.07002	9.5
143.08549	39.5
145.10107	63.3
147.11606	11.0
149.09618	17.7
155.00993	18.4
155.08563	12.1
156.09364	15.3
157.10162	53.1
159.11713	28.0
161.09599	30.5
165.06914	11.6
168.09279	15.6
169.10106	29.8
170.11038	10.1
171.11690	28.0
173.09622	18.2
173.13309	33.9
175.14760	25.5
181.10182	17.7
183.11688	18.6
185.09727	11.4
185.13188	16.1
187.11116	22.1
187.14809	29.6
193.10234	13.5
195.11711	42.1
197.09471	11.2
197.13275	24.3
199.11044	13.5
207.11673	24.5
208.12367	15.8
209.13232	27.0
213.16414	14.2
217.12386	11.2
219.11549	14.7
221.13196	11.7
223.14839	24.3
232.12440	10.1
233.13261	13.4
235.14961	14.9
237.16541	11.4
239.14098	11.4
243.13818	10.5
249.16310	11.2
273.04022	11.1
277.15930	11.1
281.19031	19.7
283.07062	9.9
315.21173	10.1
341.22925	14.1
357.25708	18.7
359.23520	11.5
375.26648	12.0
399.26608	25.3
417.28003	100.0
418.27795	18.5
418.38940	11.1
435.32953	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01869	11.0
57.03434	6.7
57.03673	1.4
60.04518	1.9
61.02923	7.4
65.10706	1.5
68.99796	3.3
69.03426	33.3
69.26738	8.5
71.04986	4.6
73.02913	7.9
77.20586	1.4
79.05479	1.8
81.03414	32.9
85.02902	100.0
85.57625	1.5
86.03245	1.6
87.00828	32.9
88.02216	3.0
91.03972	1.6
91.05502	1.7
93.07008	1.5
97.02892	39.3
98.22600	2.8
99.04447	16.1
105.01864	33.0
107.08544	1.2
108.04455	9.5
109.02874	35.2
115.03916	1.4
117.01846	3.9
121.06531	3.4
126.05538	3.7
127.03912	77.9
128.04192	1.6
129.01831	3.7
129.27382	1.5
142.28865	1.4
145.04953	44.4
147.02876	5.6
153.09061	2.5
159.02885	29.4
166.19308	1.4
175.07533	1.8
177.09132	8.1
195.10175	3.3
213.03938	3.5
219.10153	3.7
225.23476	1.4
230.06627	3.8
231.05005	18.0
240.04842	3.3
241.05684	2.8
248.07674	4.4
261.11203	5.0
270.09451	4.8
286.08972	7.8
298.08917	4.1
322.82147	1.6
388.20053	1.3
417.72845	3.1
418.07718	2.2
419.10983	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24121	1.8
55.01869	4.4
55.05514	3.4
56.05035	9.3
57.03431	7.0
58.06592	2.9
64.82025	2.4
67.05499	6.7
69.03430	3.9
69.07084	2.2
69.40601	10.3
70.06588	4.2
79.05485	4.3
81.07039	3.5
82.06581	8.0
82.44913	2.1
83.08593	2.0
91.05489	9.3
93.07050	8.2
94.06562	13.4
94.86623	2.3
95.04998	2.6
95.08598	3.0
98.06027	2.4
98.23461	4.6
99.66594	2.1
100.07615	2.4
102.05567	3.7
105.07015	11.8
107.08628	4.9
108.04482	6.2
108.08133	11.3
110.06060	10.4
110.62248	1.8
113.06060	2.0
117.07013	4.8
119.08598	9.9
121.06523	7.9
122.06024	85.3
123.08060	3.4
124.07538	9.7
126.05527	7.3
127.07517	2.2
128.06290	2.4
129.06970	4.2
130.07727	2.4
131.08598	6.4
133.06558	1.9
133.10141	7.6
135.08052	7.1
136.07558	22.6
137.09665	4.4
140.07068	5.7
141.07001	2.2
142.07791	3.3
143.08563	8.9
145.10136	8.8
147.08041	5.1
147.11705	11.1
149.09673	3.0
150.05618	2.7
150.09116	3.9
154.08714	2.5
156.09351	6.0
157.10141	11.6
159.08057	6.2
159.11732	9.9
161.09624	9.8
161.13191	2.4
162.09160	6.7
163.11217	3.4
164.07092	11.4
164.10664	18.2
168.06535	28.8
169.10124	8.2
170.10884	2.8
171.11696	27.0
173.09634	8.2
175.11156	11.2
176.07353	2.2
176.09134	2.2
180.10338	2.7
182.08121	11.4
183.08186	2.9
183.11719	8.6
185.09622	6.9
185.13284	9.6
186.14127	2.4
187.11191	6.8
189.12779	12.2
193.10144	2.9
194.10907	3.4
195.08005	2.7
195.11656	5.1
197.09657	2.9
197.13304	4.6
198.10484	3.8
199.11221	17.5
199.14822	11.6
206.11710	2.3
209.13309	9.9
210.07582	24.2
210.11240	8.0
211.11203	3.6
212.12022	3.4
213.12750	17.9
214.13536	24.3
215.14227	7.2
218.11821	7.0
223.11395	2.5
227.14304	26.5
228.13942	4.2
230.11754	6.2
237.12825	3.7
237.16306	2.8
239.14267	3.0
245.15440	7.3
247.14752	2.6
248.12791	20.0
251.14156	2.8
256.17004	2.5
264.12506	5.3
265.15906	5.7
270.18301	2.1
276.12320	5.7
280.16962	11.0
284.16415	4.9
286.17825	2.9
293.15283	4.1
294.13470	5.4
294.18488	3.4
298.17838	14.5
308.20016	7.5
314.17703	3.1
316.15588	2.9
318.18585	4.3
326.17447	7.0
330.17023	8.6
336.19498	37.8
344.18521	10.3
354.20630	24.5
362.19879	3.3
364.18976	5.1
372.21518	8.7
382.20038	28.6
382.24393	3.3
400.21112	100.0
401.21387	5.9
418.22171	60.2
419.14447	4.5
419.20630	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	418.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05511	3.6
56.05038	7.3
57.03439	6.1
62.63323	1.6
67.05504	8.2
69.03434	2.4
69.07058	2.1
69.40624	3.5
69.41039	5.7
70.06599	2.3
79.05470	3.7
80.05043	2.6
81.07060	2.2
82.06593	4.7
91.05482	7.8
93.07057	5.2
94.06569	17.8
95.04967	3.2
96.04523	3.0
98.23521	3.4
102.05536	2.4
105.07030	6.6
107.04966	3.5
107.08601	4.6
108.04496	8.4
108.08121	9.6
109.06516	3.3
110.06028	6.8
113.05997	2.7
117.07019	3.0
119.08588	13.2
121.06544	6.5
122.06031	72.4
123.08150	2.4
124.07628	8.3
126.05535	9.5
127.07536	2.3
129.06987	3.6
131.08592	4.7
131.94603	2.0
133.06485	3.4
133.10118	9.7
135.08064	6.5
135.11702	2.8
136.07570	21.9
137.09573	5.2
140.07066	4.7
142.07753	5.1
143.08563	11.2
145.10162	6.4
147.08075	5.7
147.11703	7.8
149.09628	4.4
150.05608	2.2
150.09151	5.6
154.08632	2.1
155.08519	5.3
156.09355	7.1
157.10141	17.5
159.08066	2.9
159.11717	7.6
161.09593	8.9
161.13297	3.7
162.09158	5.4
163.11157	2.9
164.07039	11.3
164.10719	20.4
165.07007	2.9
167.08621	3.3
168.06583	30.1
169.10178	6.1
171.07965	2.2
171.11703	25.6
173.09676	9.8
173.13272	3.1
175.11154	12.4
177.12732	4.0
179.08647	3.0
180.10278	3.8
181.10078	3.9
182.08150	13.0
183.11751	6.1
185.09650	6.6
185.13307	11.0
186.13989	2.8
187.11179	6.6
189.12746	13.2
191.14259	2.0
192.10255	2.4
193.10109	3.0
194.10893	2.8
195.11722	3.9
197.09650	3.1
197.13213	5.9
198.10490	3.0
199.11191	16.7
199.14844	8.1
209.13277	8.7
210.07590	18.6
210.11195	6.1
211.11279	3.3
211.14777	3.3
212.12035	6.5
213.12758	17.4
214.13564	28.9
215.14290	8.9
218.11781	8.4
223.11224	4.3
225.12785	4.8
226.10799	2.4
227.14299	28.1
230.11813	4.3
233.15250	3.7
235.14761	2.6
237.12782	4.7
239.14308	3.6
245.15411	8.0
247.14832	2.7
248.12804	21.5
249.16382	3.2
256.16895	2.4
263.16467	3.3
265.15900	8.3
268.17004	3.3
270.14926	2.4
270.18558	2.7
276.12335	2.3
280.16977	10.4
284.16501	5.2
286.18011	3.1
294.13348	5.6
294.18613	3.2
298.17966	11.1
308.19946	4.3
314.17468	4.6
316.19095	2.4
318.18402	5.3
326.17554	9.9
330.17010	4.6
336.19531	39.0
337.20273	2.8
340.19092	2.6
344.18503	6.3
354.20590	30.9
364.18973	5.2
372.21786	7.4
374.80157	2.0
382.19980	32.2
382.24252	3.1
383.20532	2.6
400.21057	100.0
401.21426	7.9
418.21997	49.3
419.22339	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	418.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49704	0.4
57.07075	7.0
58.06601	2.0
59.09680	0.4
67.05489	0.5
69.07046	0.8
69.13451	0.8
69.13850	2.4
69.67446	0.4
70.06588	20.2
71.08636	2.5
72.08153	2.8
82.59422	0.4
84.08137	1.6
86.09698	3.2
87.04508	0.4
88.07631	7.2
89.06020	0.6
91.49089	0.4
102.09174	3.5
114.09158	0.6
132.10191	9.3
146.11739	9.0
174.95291	0.4
248.44649	0.4
251.17003	0.4
268.29904	2.1
278.34912	0.4
294.31592	2.0
306.27902	1.7
312.32599	11.5
356.35199	34.5
357.35526	2.0
400.37787	0.8
418.38873	100.0
419.39200	7.2
427.82867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23262	1.4
69.64600	1.5
69.64918	7.0
84.04497	4.5
85.02910	5.1
86.02268	1.5
86.06084	1.5
90.46660	1.5
91.05484	1.9
102.05531	1.9
107.08540	1.4
112.08449	1.4
117.88476	1.7
118.06511	2.3
119.08574	1.8
130.05000	12.4
130.06543	1.9
146.09688	2.6
160.11201	2.1
199.14957	1.6
219.49609	1.7
244.20667	3.4
265.55209	1.9
272.20093	23.8
290.21140	20.3
307.12140	2.2
369.41257	1.8
387.17825	15.0
393.15796	2.3
413.72003	1.9
419.14624	100.0
419.20337	20.8
419.25378	19.6
420.14993	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	419.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03232	2.5
55.05495	3.5
67.05473	2.2
69.03423	2.9
69.07069	2.7
69.21889	15.1
86.06053	3.3
87.04468	2.7
91.05483	3.8
93.07047	2.4
95.08629	3.1
96.85130	2.0
98.23489	4.7
105.07008	3.2
109.10135	2.6
119.08561	4.3
130.05006	3.6
153.10300	2.4
159.08098	2.9
189.42290	2.2
272.19998	3.5
290.21133	4.2
310.17703	2.8
311.99817	3.1
356.18414	2.6
387.17697	10.3
392.20499	3.9
419.14560	100.0
419.20306	35.6
419.24561	9.0
420.14911	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	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	31.3
61.79559	3.5
69.56509	14.9
75.57872	3.3
79.05476	3.7
81.07054	14.5
82.61186	3.6
95.08585	6.8
98.23461	7.7
98.97577	40.6
107.08627	4.2
116.98618	36.8
126.95415	3.3
132.72382	3.9
134.99660	13.2
153.00658	5.7
163.61594	3.4
173.13309	4.5
195.06897	5.1
245.08455	3.7
270.66391	3.1
299.19839	4.1
315.14722	7.4
341.17789	11.6
353.31345	3.3
357.20859	10.2
359.18695	49.7
359.22708	5.3
374.02640	4.0
375.21866	7.5
377.19925	37.6
382.20471	6.7
395.21191	6.7
401.19913	4.5
419.21490	100.0
420.21988	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	419.2402
Annotation	Arg Met Leu
Peak:m/z	Relative Intensity
59.64208	0.6
67.05499	1.3
69.07051	1.5
70.06597	3.5
70.66182	1.1
79.05494	1.6
81.03358	0.7
81.07052	2.9
83.04971	0.7
89.83876	0.6
91.05450	1.0
93.07043	1.5
95.08591	1.2
105.07032	2.0
107.08579	1.2
109.06508	0.6
109.10081	0.8
115.07536	0.7
119.08581	2.0
121.10140	1.7
131.08554	0.7
133.10126	1.5
135.11703	1.3
145.10085	1.3
147.11703	1.0
157.10110	1.0
175.14893	1.1
183.11774	0.7
197.13387	0.7
215.14207	0.7
235.13000	6.2
268.36844	0.7
322.50595	0.6
345.25671	0.8
359.21912	20.6
360.22470	0.9
419.24136	100.0
420.24829	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	419.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77886	0.3
67.05504	1.0
69.03434	0.6
69.07052	1.0
74.65202	0.4
79.05482	0.9
80.05650	0.5
80.94859	2.0
81.03389	0.5
81.07052	1.5
83.05035	0.5
83.08628	0.5
89.09248	0.4
91.05478	0.6
93.07045	1.2
95.08601	1.0
105.07027	1.4
107.08589	1.9
109.10128	0.7
112.69473	0.4
119.08566	1.1
119.88559	0.4
121.10146	1.7
131.08562	0.6
133.10094	0.9
135.08099	0.5
135.11679	1.2
143.08571	0.6
145.10077	0.8
147.11696	0.4
157.10114	0.7
159.11716	0.5
163.11198	1.6
171.11734	0.7
173.13281	0.9
175.14867	1.1
187.14833	0.4
203.14345	0.7
217.95270	0.5
235.13025	3.3
300.99988	0.5
301.21725	0.5
304.46069	0.5
359.21899	33.5
360.22174	2.5
361.23630	0.6
364.28735	0.4
383.21652	1.7
403.40540	0.5
419.24008	100.0
420.24319	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	419.2403
Annotation	Arg Met Leu
Peak:m/z	Relative Intensity
58.76598	0.5
60.08446	0.5
61.94831	0.5
67.72871	0.5
68.31625	0.5
69.28350	2.8
72.25796	0.4
79.05489	0.7
85.41622	0.5
89.38519	0.4
95.04937	0.4
98.23473	0.9
98.97520	0.5
101.97409	0.5
107.08601	0.5
109.10148	0.8
111.72863	0.5
119.08599	0.5
131.08632	0.6
132.61235	0.5
152.51039	0.4
167.06786	6.3
192.53090	0.4
218.30029	0.5
228.17430	0.5
259.78693	0.5
265.10568	1.5
266.11282	0.6
297.76111	0.5
303.12604	0.5
359.21887	0.9
361.19873	5.9
396.14590	0.7
411.39850	0.5
419.24023	100.0
420.24426	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	419.2638
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
70.20876	18.7
75.74750	17.4
81.07058	29.8
84.08144	18.4
93.07030	20.4
98.22608	37.3
107.74347	16.4
119.08572	24.6
133.10086	27.5
135.11662	37.7
215.53734	16.4
419.14651	100.0
419.20358	75.3
420.21133	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
53.62743	1.6
55.01861	8.8
57.03426	4.8
58.06568	1.6
61.02919	8.3
68.99786	3.3
69.03429	41.4
70.06589	6.4
71.04983	6.9
71.08650	1.4
72.08163	2.7
73.02902	6.9
81.03418	27.8
84.04492	2.0
84.08122	3.7
85.02902	100.0
86.09705	4.1
87.00828	43.5
91.03963	3.5
91.05485	9.4
95.06080	3.9
97.02884	37.8
99.04454	15.0
103.03981	2.5
105.01863	47.1
105.07014	4.7
109.02878	29.2
112.08697	2.6
115.05430	2.4
116.07037	1.7
117.01854	3.8
119.04933	5.7
120.08086	2.7
123.04407	3.9
127.03909	60.6
128.00784	3.5
129.01797	4.3
129.07025	3.7
133.06517	4.3
137.05978	43.7
145.04962	31.2
147.02855	5.3
147.04416	3.9
151.07532	11.6
153.06985	1.7
157.06528	3.1
159.02866	18.1
161.05951	10.5
165.05482	9.6
173.06044	1.8
175.07556	6.4
179.07019	30.5
189.03940	6.4
191.06873	2.2
197.07939	2.0
199.07504	2.9
203.06992	14.0
209.04062	1.7
213.03879	2.1
217.08601	2.8
221.08086	12.9
227.07068	3.8
231.04955	11.1
245.08075	17.1
249.06020	2.8
262.57819	1.6
263.09152	21.4
267.78079	1.6
330.71558	1.5
349.09128	8.0
351.13547	1.7
367.10263	6.3
420.21027	2.2
421.16763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95291	2.8
53.03951	5.0
55.01873	15.5
57.03430	7.5
57.62155	2.7
57.81480	2.5
61.02923	8.5
68.24758	2.6
68.99803	5.9
69.03427	32.8
71.04966	4.7
72.08123	3.7
73.02914	8.9
80.14962	2.9
81.03414	35.2
81.31643	2.8
85.02903	100.0
85.03417	5.2
87.00827	42.6
91.05503	11.6
93.34584	2.8
97.02884	39.4
99.04459	19.9
103.03866	2.6
105.01864	44.5
105.07056	4.6
109.02879	33.4
117.01852	3.7
119.04975	7.9
121.43541	2.6
127.03906	67.1
129.01883	4.2
137.05974	39.6
143.07246	6.9
145.04979	31.1
147.02913	6.3
147.04417	4.5
151.07520	16.1
159.02887	19.2
160.90170	3.1
161.05981	14.3
165.05466	9.4
171.08008	3.9
175.07539	6.5
179.07030	29.1
189.03903	9.3
189.05440	4.4
199.07574	5.3
203.06927	18.1
217.08604	5.8
221.08025	16.0
228.80043	3.7
231.05029	12.4
245.08041	19.8
252.08147	3.1
263.09152	28.7
349.09241	5.0
367.10040	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14307	1.4
55.01862	2.7
57.03433	40.8
59.05003	1.7
60.04519	2.5
61.02922	14.5
69.03425	38.0
71.01353	5.7
71.04992	2.3
73.02912	100.0
81.03428	4.6
85.02898	66.9
87.04475	4.7
91.03959	3.8
91.05489	1.9
91.64920	1.6
97.02256	3.2
97.02885	62.2
98.23425	4.6
99.04430	2.1
109.02876	5.2
109.06515	4.1
113.38218	1.6
115.03923	48.3
127.03902	19.0
131.32574	1.4
132.06548	2.7
133.04967	12.8
133.06477	2.9
139.30409	1.4
144.06555	3.3
145.04942	25.9
145.06194	1.9
145.06561	2.4
147.08043	2.2
150.07596	5.6
163.05991	11.3
175.07541	3.1
180.08655	2.5
180.73776	1.5
184.55876	1.7
223.05989	5.3
223.13126	1.7
241.07089	5.2
259.08087	2.5
288.14578	1.5
295.10181	3.3
339.18103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23917	1.1
55.01874	1.8
56.05027	1.8
57.03437	21.4
60.04525	1.0
61.02930	5.7
65.03932	2.0
67.05496	0.9
69.03429	18.2
69.07043	1.0
69.18220	3.3
69.18625	2.6
70.06589	1.8
71.01362	1.7
71.05010	1.3
72.08160	1.8
73.02914	40.3
76.17923	0.8
81.03435	1.5
85.02904	30.9
85.06533	1.4
86.09716	2.2
87.04482	2.7
91.05477	100.0
92.05809	1.9
96.93112	0.8
97.02888	40.8
98.23608	0.8
99.04444	1.3
101.21412	0.8
104.05326	2.5
105.07040	1.5
108.43168	0.9
109.02888	3.3
111.04440	1.3
115.03934	27.5
117.07008	2.3
121.06510	1.2
127.03905	9.5
128.06172	1.0
129.07022	1.3
131.08588	1.2
132.06546	1.3
133.04982	8.8
133.06491	2.5
139.07501	0.9
142.63329	0.8
144.06453	1.0
145.04944	9.2
145.06018	1.0
145.06549	1.1
150.07657	2.2
157.06560	1.8
161.04488	2.2
163.06041	5.1
171.08072	1.4
173.07147	4.3
175.07582	1.2
187.07574	1.3
187.43861	1.0
191.10735	1.7
209.11806	2.3
209.57793	0.8
217.08582	2.9
223.06036	3.9
227.12785	4.1
235.09741	2.2
241.07103	3.2
253.10757	3.0
259.05505	0.9
259.08118	3.1
295.10297	1.8
334.15729	1.8
376.16583	2.8
420.15445	3.8
421.20303	2.0
436.32993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04754	10.9
69.03429	21.8
73.02880	12.7
81.03417	22.3
85.02898	100.0
87.00835	41.8
91.05487	12.0
97.02876	66.0
104.37955	11.6
105.01844	38.7
109.02883	26.6
123.90350	12.3
127.03912	50.5
145.04956	40.1
159.02852	28.2
177.36609	12.1
191.48618	10.9
231.04944	14.9
368.63461	13.9
421.13083	22.0
421.21860	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01870	11.7
57.03427	9.5
60.49441	4.9
65.17020	5.3
67.05519	5.5
68.36014	4.9
69.03426	35.3
69.12900	27.2
69.13303	6.7
71.04973	11.6
73.02914	12.0
81.03412	34.3
83.04978	8.2
85.02897	100.0
87.00829	37.6
91.05511	5.1
97.02889	51.1
98.23431	10.1
99.04437	17.2
105.01875	57.2
109.02893	39.5
110.06008	6.4
117.01899	6.8
126.05495	5.3
127.03908	89.2
129.01779	5.7
137.09555	8.4
145.04971	48.4
147.17877	5.6
159.02878	22.2
191.40802	4.7
231.05026	16.5
258.11215	10.0
313.95612	5.3
421.22543	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
56.58112	1.8
57.07077	2.7
66.81742	1.8
67.05495	6.3
69.03424	4.0
69.07050	2.9
69.46209	6.1
69.46616	4.4
72.82635	1.5
79.05494	11.1
81.03430	1.9
81.07057	100.0
85.02920	8.9
87.00829	2.9
93.07051	4.9
95.08589	15.9
97.02890	6.1
98.81407	1.7
101.01724	2.0
105.01857	6.4
105.07025	2.4
107.08566	4.1
109.02901	2.8
109.10191	2.0
121.10098	2.0
127.03864	9.4
137.13240	22.9
145.04918	5.2
186.25937	1.8
189.79582	1.9
206.08337	1.7
231.05139	3.3
260.01779	1.8
420.20340	5.4
420.31189	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	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.01586	0.9
56.05035	4.4
58.68892	0.9
67.05506	10.3
68.05023	1.8
69.07052	2.3
70.06591	61.0
71.00151	1.0
71.43072	1.0
79.05479	5.6
81.07057	7.2
81.65572	0.9
83.08604	1.0
86.06060	11.4
91.05495	4.6
93.07040	9.5
95.04974	1.8
95.08616	7.4
96.08112	2.6
98.06036	1.1
102.05547	2.1
107.08591	4.1
109.10168	1.9
109.91800	1.1
114.04769	2.0
114.05528	23.4
114.09163	33.6
115.09547	1.2
119.08576	2.9
121.10161	2.8
131.08575	1.6
135.11699	1.2
140.80347	1.0
142.08629	66.0
144.40047	1.0
145.10147	1.3
145.12093	1.0
160.09682	100.0
161.10002	1.8
319.26489	2.6
356.89600	1.2
374.30563	3.4
386.06534	1.1
419.39465	1.1
420.31076	74.3
421.24216	1.1
421.31204	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	421.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97438	0.7
68.92633	0.8
70.66367	1.3
81.07047	0.8
109.10181	1.1
155.10635	1.3
156.13895	0.9
163.03929	1.9
167.03209	1.5
172.04904	1.5
173.05756	5.8
185.04199	1.3
201.05228	0.8
227.05223	5.8
249.01440	0.9
259.09698	0.8
263.29736	0.7
271.04251	6.6
335.10950	8.3
377.12054	47.7
378.12326	3.0
421.11011	100.0
421.24893	2.0
422.11423	7.1
439.46616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05510	5.8
57.03416	2.5
65.03933	2.1
67.05501	39.6
69.03428	18.3
69.07063	6.1
69.86888	7.2
71.04975	5.2
72.04491	3.1
73.02910	3.8
79.05492	3.0
81.03409	10.2
81.07053	6.7
85.02906	19.7
87.00821	11.8
91.05468	6.1
93.07050	9.9
95.04964	3.9
95.08599	31.3
97.02914	6.5
99.04428	6.5
105.01872	9.6
109.02854	13.9
109.10152	80.0
111.08044	4.0
119.08554	11.9
127.03894	23.1
137.09622	32.3
155.10657	100.0
156.13831	4.4
163.03908	7.4
174.14925	3.0
213.03963	4.8
231.04846	5.3
243.10178	4.6
350.99963	2.6
403.08188	3.0
421.10718	5.8
422.17883	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	421.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01870	8.1
55.05514	5.0
57.03446	5.8
59.04992	1.4
59.74349	0.7
61.02929	4.7
65.03916	1.0
67.05501	37.4
68.99798	2.5
69.03425	32.7
69.07072	2.6
69.09235	3.6
69.09634	1.8
71.04987	13.6
72.04504	1.1
72.05281	0.7
73.02901	2.6
77.98613	0.7
78.47698	0.9
79.05489	2.3
81.03413	23.4
81.07054	7.1
83.04971	1.4
83.08631	0.9
85.02901	50.2
87.00826	27.6
87.04471	1.3
91.03963	0.8
91.05476	9.8
93.07038	11.8
93.97094	0.7
95.04949	4.7
95.08598	44.7
97.02890	23.5
99.04446	11.3
101.05990	1.6
103.21628	0.7
103.98789	0.7
105.01865	19.3
105.02539	1.3
105.59144	0.8
107.08575	1.2
109.02876	31.3
109.06507	1.6
109.10150	58.5
110.10506	1.0
111.08081	9.4
113.06004	2.9
114.09144	0.8
117.01821	0.8
119.08567	16.8
127.03909	58.3
128.04286	1.2
129.01859	2.4
137.09608	33.3
138.09906	0.8
145.04929	6.6
147.02899	1.9
151.45668	0.8
155.10658	100.0
156.11003	2.8
156.13771	1.5
159.02913	2.6
163.03925	0.9
171.08125	1.1
173.11707	2.5
174.14934	0.9
190.19122	0.8
213.03918	5.8
231.04961	11.1
263.12799	4.5
341.15948	0.9
385.14920	2.8
403.16132	1.4
419.87094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
57.03434	5.5
66.04668	3.8
67.05492	40.1
69.03426	22.5
69.07057	8.2
71.04988	7.0
71.43909	5.5
71.89290	3.9
73.02914	4.6
76.67081	3.0
81.03409	24.9
81.07043	7.8
85.02894	23.6
87.00827	15.7
91.05460	8.2
93.07056	7.6
95.04974	7.8
95.08606	21.0
97.02888	14.4
98.59261	3.2
99.04424	11.9
105.01865	11.8
107.08592	5.1
109.02843	19.9
109.10146	92.4
115.05571	3.5
119.08572	9.0
119.23085	3.6
123.07992	4.0
127.03898	35.3
137.09604	24.8
139.38506	3.2
151.07520	7.6
155.10658	100.0
213.03995	4.5
231.05176	6.4
259.09702	4.7
283.09402	4.0
313.32162	3.8
400.76431	3.4
421.09268	5.7
421.14444	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	421.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80624	2.2
53.03947	3.3
55.01888	5.1
55.05507	10.0
57.03424	3.0
61.02919	3.9
67.05500	17.2
69.03419	27.7
69.07072	9.1
70.37879	2.5
70.62500	2.5
71.04990	3.5
79.05488	11.0
79.38178	2.3
81.03412	13.2
81.07050	94.3
83.04971	3.2
83.08613	3.1
85.02902	33.7
87.00834	20.1
91.05477	9.6
93.07024	8.7
95.04961	5.5
95.08600	64.7
96.08889	2.8
97.02888	12.3
97.06535	4.2
97.10160	9.1
99.04451	5.4
105.01863	18.8
105.06993	12.9
107.04984	6.4
107.08588	20.3
109.02879	12.2
109.10152	9.2
111.11691	3.6
113.02246	2.7
117.07010	3.7
119.08614	4.7
121.06462	2.4
121.10091	13.5
122.07292	6.5
127.03899	29.7
131.08609	5.7
133.10118	100.0
134.10400	2.7
135.08060	11.4
135.11720	2.8
136.06194	2.9
137.09601	53.1
137.13239	52.9
137.14847	3.1
145.04968	6.4
145.10139	2.8
149.09608	3.8
149.13255	8.7
155.14313	22.1
159.02956	3.3
163.03818	2.6
173.13304	6.5
173.15405	5.2
174.71758	3.0
176.02199	2.6
177.06721	3.1
191.14308	36.6
213.04008	2.4
215.07202	2.8
231.05069	4.9
249.05727	2.2
265.76413	2.5
310.81204	2.4
384.22864	2.9
421.16144	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
55.05503	8.7
57.07048	3.2
67.05497	13.2
68.99790	4.4
69.03422	22.7
69.07078	5.5
77.46975	3.3
79.05494	9.4
81.03417	13.3
81.07050	100.0
82.07407	4.7
82.79890	3.1
85.02901	38.7
87.00812	23.9
87.04472	3.5
91.05484	3.8
93.07029	5.2
95.08601	80.0
97.02888	12.8
97.10175	9.0
99.04464	4.7
105.01848	17.0
109.02891	13.5
110.81938	3.0
127.03901	22.0
133.10101	10.2
137.09576	5.4
137.13242	71.9
145.04942	6.0
145.10217	4.2
155.14304	37.7
159.04333	4.0
160.81593	3.3
163.03870	4.3
173.15335	9.2
208.95227	3.0
259.09576	4.1
274.05374	5.1
333.92032	3.5
377.52298	3.7
421.10672	4.7
421.22018	9.3
422.25632	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	421.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61049	0.6
60.04523	12.0
60.05638	0.9
68.05016	1.7
69.03419	1.8
69.07051	3.7
69.14470	4.6
70.06588	53.8
71.04988	7.5
72.08141	4.7
78.40851	0.7
81.03427	4.2
82.21819	0.7
85.02895	3.2
86.09692	1.1
87.00816	0.9
91.05479	1.1
93.07074	1.3
95.06087	19.6
97.02888	1.7
97.07661	5.0
98.06057	0.9
98.23570	1.3
99.04457	1.8
103.05463	2.6
105.01851	1.0
109.02873	3.1
111.09182	1.3
112.07603	4.6
112.08728	16.5
113.07136	2.0
114.10268	4.0
115.08035	0.6
115.08679	23.1
120.08099	100.0
121.08442	2.2
127.03909	2.7
128.04276	0.9
130.08882	0.8
130.09766	4.3
137.06024	0.9
138.10255	1.3
139.08644	3.0
140.07185	1.2
140.08182	4.0
144.08238	0.7
154.09724	2.3
157.09732	9.5
157.10873	1.1
170.07137	3.1
182.07747	1.0
182.09174	4.1
188.07074	0.8
199.11890	21.0
200.10236	0.8
200.12253	0.6
217.13087	1.2
223.10767	18.1
241.07153	4.8
241.10649	3.2
242.12895	1.1
244.14528	0.9
259.08167	1.7
259.15402	1.9
264.09360	0.8
301.16339	1.4
318.19092	1.3
329.15924	2.2
346.18802	1.3
362.17587	2.0
386.34473	0.8
403.20816	0.8
421.21875	95.2
422.22192	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	421.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81813	0.8
59.08380	0.9
63.93769	0.9
71.04636	1.2
81.07043	0.9
84.04498	1.2
85.06548	4.4
91.05463	2.7
93.07037	1.4
104.99296	1.0
105.07003	1.4
114.23138	0.9
137.05960	0.9
139.11211	1.3
194.04901	0.9
201.03670	1.3
203.05254	33.6
233.55542	0.9
241.15642	1.5
244.07712	1.0
246.40961	0.9
292.19073	1.2
337.16220	1.8
338.96991	1.0
345.20551	0.9
370.77948	0.9
421.21957	100.0
422.22168	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.2
55.01876	4.7
55.05499	7.0
57.03436	14.8
57.18768	2.7
59.05006	4.0
65.03940	75.1
67.05499	22.7
69.03416	10.4
69.07065	11.8
71.04988	20.1
79.05497	45.7
81.03413	28.6
81.07072	13.9
83.04990	10.9
83.08631	4.7
87.04470	4.3
88.24803	2.8
89.06007	4.7
89.34847	2.4
91.05481	21.3
93.03403	39.5
93.07034	19.9
95.04964	85.3
95.08626	12.5
97.06535	8.3
101.92885	2.8
103.05453	4.3
105.04517	6.2
105.07022	40.5
107.04954	5.1
107.08586	38.2
109.02883	41.5
109.06506	14.2
109.10141	16.2
111.04457	6.0
111.08098	7.8
115.05460	3.3
115.32040	2.7
117.07005	14.0
119.01296	41.8
119.04923	3.5
119.08572	37.6
121.06477	7.7
121.10143	85.4
121.10991	6.0
123.04429	8.6
123.08073	13.8
123.11707	6.8
125.06001	4.2
128.06253	4.3
129.07007	9.1
131.04912	4.0
131.07063	6.0
131.08554	25.6
133.06487	8.5
133.07570	3.1
133.10117	29.0
135.04428	4.2
135.08051	14.7
135.11679	30.5
137.02333	70.6
137.05971	7.2
137.09586	7.2
139.03844	4.2
141.05446	3.9
141.06998	6.4
142.07797	7.8
143.08586	12.7
144.09288	5.2
145.10104	28.3
147.08057	7.4
147.11671	11.4
149.09631	12.6
149.13275	11.0
151.02669	4.8
151.03894	100.0
151.07570	9.1
153.07022	3.4
155.03557	5.6
155.08594	8.1
156.09361	6.9
157.10158	16.3
158.10861	5.6
159.11697	37.9
160.23660	3.6
161.09711	4.3
161.13205	4.0
163.11133	17.9
163.14822	12.8
165.05521	5.0
165.06929	4.2
167.08572	8.5
168.09355	3.0
169.04955	81.9
169.10143	12.2
171.07999	5.1
171.11722	10.9
172.12512	3.3
173.09630	5.3
173.13226	43.7
175.11166	7.1
175.14777	7.6
176.11926	3.2
177.09108	6.4
177.12761	26.6
179.07043	18.4
179.08577	7.4
180.09329	5.1
181.10118	6.6
182.10895	8.8
183.11705	8.8
185.09784	5.0
185.13255	5.0
186.10367	3.6
187.07681	2.9
187.11183	8.9
187.14830	13.1
191.14296	90.6
192.14772	4.7
193.10222	7.1
193.15933	7.8
194.10791	4.0
195.11667	16.0
197.09605	4.3
197.13237	35.7
198.13881	3.3
199.11116	5.2
199.14708	4.9
201.09117	4.2
201.12691	26.6
202.13478	5.9
203.14308	6.3
204.28238	2.9
207.11726	6.8
209.13295	8.5
211.11226	6.5
211.14911	4.5
213.09135	3.8
213.12793	6.9
213.16193	3.9
215.10727	7.5
215.14287	30.4
219.11884	4.0
219.13763	18.5
220.14514	3.7
221.13214	5.1
222.13957	3.1
223.14864	6.2
225.12859	6.3
227.10846	5.2
227.14310	4.5
229.12325	4.6
233.15434	7.4
235.14835	3.2
237.12810	4.7
237.16406	6.9
239.14331	3.7
241.12289	7.5
241.15938	4.7
247.14854	5.4
249.16393	4.6
251.16478	7.1
255.13753	7.8
257.11749	4.0
259.13208	3.7
265.15894	9.5
267.13705	8.3
269.15308	3.9
273.14865	13.5
283.13605	3.7
283.16934	10.7
285.14914	6.3
287.16495	3.1
293.15219	15.9
311.16354	32.5
312.16934	4.2
325.18036	4.8
329.17462	30.1
338.96674	5.3
343.18967	34.1
361.20081	22.1
371.18597	3.1
421.21509	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	421.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65284	0.5
53.03943	2.0
55.01874	0.9
55.05514	5.4
56.96567	1.1
57.03440	3.4
57.07058	0.5
65.03942	2.0
67.05500	3.4
68.02646	0.5
69.03423	1.2
69.07065	1.4
71.04973	0.9
79.05485	2.8
81.03413	1.5
81.07050	4.2
82.07385	0.8
83.04977	8.8
83.08553	0.5
85.06533	0.5
91.05472	2.2
93.03411	1.2
93.07051	2.5
95.04961	1.4
95.08595	2.8
97.02899	0.7
97.06519	3.0
98.97553	3.2
105.07038	3.0
107.04968	0.6
107.08581	2.8
109.06516	1.2
109.10130	2.8
111.04436	100.0
112.04779	2.3
116.98588	2.4
117.07056	0.9
118.89010	0.4
119.08597	3.8
121.02866	1.1
121.06513	1.2
121.10120	2.1
123.08051	1.2
123.11739	0.5
125.05995	1.7
125.09599	0.4
128.06233	0.5
129.06981	1.1
130.07816	0.5
131.08588	2.9
133.10133	2.1
134.99670	1.4
135.08057	1.8
135.11700	1.0
137.09602	1.6
139.03886	5.3
139.07550	0.8
139.11128	0.5
142.07722	0.7
143.08554	1.6
145.06487	0.6
145.10106	2.4
147.08051	1.2
147.11627	0.9
149.09648	1.2
151.07503	0.5
151.11177	1.6
153.05513	2.6
153.06544	0.4
156.09415	0.9
157.10124	1.7
158.10860	0.9
159.08044	1.2
159.11697	1.0
161.09596	1.9
161.13246	0.5
163.03865	0.7
163.11191	0.7
165.12830	0.7
169.10094	0.7
170.29704	0.5
171.08051	0.8
171.11667	1.6
173.09581	0.8
173.13260	1.8
175.07527	0.7
175.11215	0.7
176.12016	0.8
177.08980	0.5
179.10641	0.9
181.10124	0.9
183.11722	0.9
185.09604	0.8
185.13277	1.0
187.11140	0.5
189.12744	1.1
191.14279	7.6
193.12343	0.6
195.10106	0.6
199.11169	1.5
201.09189	0.9
201.12715	0.5
207.13748	1.5
209.13327	0.7
213.12611	1.2
215.07040	1.1
215.10721	0.6
217.08702	0.4
223.14691	0.5
226.58690	0.5
227.10583	1.1
227.14330	1.2
231.10023	0.6
231.13823	0.7
253.14319	2.3
255.13773	1.2
257.11618	1.2
259.09509	0.6
259.13232	2.6
263.16406	0.9
265.15900	0.7
269.15271	0.8
273.14841	1.2
283.16885	1.7
301.17896	1.1
311.16278	2.1
329.17493	2.5
330.68396	0.5
343.19046	3.1
347.18387	1.3
358.11661	0.5
361.20078	4.0
379.21188	0.9
403.21378	0.8
421.22180	26.9
422.22574	1.6
439.23608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05508	3.6
56.96288	1.1
56.96563	18.8
65.03934	0.8
67.05507	5.1
69.07053	2.2
69.07757	4.3
70.98114	3.5
71.85133	0.6
72.62619	0.7
79.05498	4.3
81.03401	0.8
81.07058	10.8
83.04967	1.7
83.08549	0.8
88.81741	0.6
88.99135	1.2
89.59545	0.6
91.05494	3.1
93.07038	3.9
95.04954	0.7
95.08595	7.8
97.06527	2.0
98.97580	35.9
102.15948	0.6
105.07021	7.4
107.08587	6.0
109.10152	6.1
111.04441	12.7
116.98615	27.5
117.07049	1.6
119.08567	8.5
121.10145	3.1
123.11657	1.7
127.07401	0.6
129.06996	1.1
131.08580	3.5
133.10133	4.9
134.99648	13.6
135.11670	1.8
140.00163	1.2
141.83063	0.6
143.08583	1.6
145.10118	10.2
147.11655	4.7
149.13251	2.2
153.00696	1.0
156.09332	0.9
157.10112	2.5
158.01253	0.6
159.11726	4.6
161.05969	1.7
161.13254	5.6
165.30423	0.6
171.11674	2.5
173.13257	3.4
175.14780	3.7
179.14359	1.0
185.13235	1.3
187.14839	4.3
188.15627	0.9
189.16362	1.5
191.14336	0.8
199.14888	3.3
201.16344	1.0
225.09126	0.8
245.08501	1.5
259.09799	1.8
261.11545	2.4
277.07492	0.7
279.12625	3.9
303.12634	8.7
313.18268	0.9
321.13681	5.6
322.14108	1.2
327.16354	1.2
329.17780	1.0
331.19568	1.6
343.19263	3.0
355.19446	5.8
361.20346	2.5
367.19327	0.8
373.20444	7.2
379.21381	1.4
385.20325	2.4
391.21390	0.9
403.21515	19.2
404.21799	0.9
421.22546	100.0
422.22803	6.7
439.23584	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.8
67.05500	78.8
67.62063	5.9
69.07059	32.7
69.11246	41.2
74.32953	5.7
77.89625	7.1
79.05482	59.5
81.07047	67.1
83.08614	19.9
91.05478	95.9
93.07043	56.6
94.11004	5.6
95.04972	17.5
95.08598	57.1
105.07021	100.0
107.08602	27.9
109.06523	9.7
109.10143	17.4
109.21854	6.9
115.05443	5.5
117.07012	39.9
119.08584	58.3
121.10147	20.9
123.11676	8.5
129.07013	24.1
131.08551	72.4
133.10135	34.5
135.08008	14.8
135.11584	8.0
141.07048	10.3
142.07768	7.3
143.08560	22.4
145.10098	38.9
147.11655	18.0
149.09589	12.5
155.08574	11.1
157.10124	21.9
159.11679	26.0
169.10141	26.5
171.11737	12.1
173.13251	7.9
181.10147	6.9
183.11655	13.4
185.13318	8.0
197.13266	10.4
209.13257	7.3
259.17044	8.7
287.20163	7.1
325.25266	14.8
335.23572	7.2
343.26166	17.0
353.24820	45.5
355.44937	5.8
371.25671	47.5
372.26300	7.2
389.22156	8.7
389.26892	83.8
403.28244	41.7
421.29214	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	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.6
55.05509	12.7
57.03424	9.5
57.07076	35.8
67.05504	16.5
68.53873	1.4
69.07068	9.6
69.98730	4.7
74.36835	1.4
79.05489	11.9
81.07056	23.1
81.07507	2.2
83.04983	4.0
83.08632	5.6
84.10219	1.3
85.06541	16.6
90.76424	1.4
91.05473	10.8
93.07040	12.4
95.04980	3.2
95.08607	18.4
97.06557	5.7
97.10191	2.3
98.23402	2.7
101.54031	1.6
104.99265	2.5
105.07034	9.9
107.08583	16.0
109.06528	14.4
109.10152	6.9
111.04456	3.6
111.08092	4.3
117.07063	3.2
119.08601	5.9
121.06622	1.4
121.10133	7.3
123.08076	10.6
123.11700	2.0
125.06039	2.6
131.08565	3.7
133.06584	2.1
133.10152	6.3
135.08046	21.6
135.11676	7.5
137.05968	22.2
138.06783	1.8
139.07539	1.4
143.08578	2.1
145.10182	3.8
147.11740	6.2
149.09698	3.8
149.13290	2.7
149.92645	1.7
151.07585	5.7
151.11221	3.4
153.12766	1.7
157.10089	1.7
159.11737	3.7
161.09697	3.5
161.13301	2.1
165.09152	1.9
165.12738	8.3
169.91457	1.4
175.11276	2.4
175.14946	1.5
177.12747	7.9
179.14409	4.4
191.14328	3.5
193.12204	2.7
207.13734	8.1
219.10034	2.2
233.19035	1.9
263.20108	6.3
301.25189	1.8
319.26337	12.1
329.24734	6.9
337.27383	4.3
338.96811	3.2
339.19196	2.5
343.22583	2.6
347.25797	100.0
348.26407	5.6
365.26819	16.6
393.29977	14.1
402.36209	1.6
403.28607	2.4
421.29712	52.2
422.30096	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65837	0.8
55.05501	2.2
57.07072	79.4
60.49814	0.8
69.07063	6.8
69.10627	6.5
71.08626	61.3
72.08954	1.7
73.06536	1.3
83.08603	3.9
85.10175	39.9
87.04453	1.9
89.06023	100.0
90.06337	1.4
94.30348	0.9
97.10149	1.6
99.11739	6.6
100.35345	0.8
107.07066	3.1
111.11701	2.6
113.13285	4.5
117.09100	1.9
125.13336	1.1
127.14815	2.1
130.08633	1.2
133.08597	53.9
151.09677	4.3
159.56647	0.8
177.11211	9.8
179.55569	1.0
183.20941	0.9
186.17746	0.9
195.12234	3.3
239.14862	19.5
341.26794	1.1
386.84103	0.8
421.35092	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39005	5.1
62.72168	4.3
91.05470	12.8
93.07032	34.9
95.04993	7.5
107.04961	7.3
121.06490	28.1
122.06755	5.3
123.08060	16.8
148.31192	5.2
149.05997	50.3
151.07526	28.8
167.07033	100.0
225.97791	5.5
279.66977	5.5
327.10626	7.0
375.33286	5.6
395.07965	5.5
409.81662	5.3
447.05597	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	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
61.02906	4.3
67.05495	7.6
68.15933	3.7
69.03429	16.7
71.05000	4.5
71.42750	4.0
73.93121	3.0
77.03928	4.8
79.05488	17.2
80.08067	3.0
81.03448	5.7
81.07051	10.4
83.04966	6.1
85.02903	28.1
91.05473	11.2
93.07034	6.7
95.04967	11.0
95.08585	4.4
96.09049	3.4
97.02887	10.2
97.06503	5.2
99.04454	10.6
105.04512	3.6
105.07024	15.5
107.04932	18.7
107.08613	4.4
109.02842	4.2
109.06517	4.1
109.10147	34.0
110.33313	3.0
119.08564	12.6
121.10146	3.8
123.07990	3.8
125.06049	3.4
125.20985	4.1
127.03921	4.9
129.06955	5.3
133.10147	7.9
135.18184	3.3
137.05983	6.4
137.09601	61.2
143.08556	17.3
145.04893	4.9
145.10074	3.7
147.08006	28.5
151.03917	3.7
159.08186	3.7
161.06049	3.7
161.09615	92.7
163.07556	3.6
165.09109	100.0
175.07552	14.8
179.10632	7.0
189.09103	16.4
197.09695	3.4
201.08934	3.7
203.07076	9.2
207.10149	85.6
215.10712	11.6
225.09117	6.1
225.11166	47.0
229.08623	11.1
243.10162	14.9
243.12314	4.0
248.17290	8.9
249.94409	3.4
260.12646	7.6
261.11136	28.8
266.18542	4.0
267.16724	6.4
320.63055	3.4
353.11899	5.0
376.21954	31.8
394.22955	12.8
395.21350	11.1
422.17746	95.7
422.22702	72.6
423.17245	10.5
423.22934	5.3
439.14365	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	422.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	3.4
68.08643	0.4
70.30455	0.7
70.30798	0.6
74.05695	0.8
74.06081	9.1
81.89069	0.4
84.10210	0.5
86.09705	100.0
87.10035	1.4
91.80945	0.4
98.06042	1.2
99.05582	1.0
116.07066	1.0
120.08102	12.8
121.08386	0.5
126.05503	6.0
129.97466	0.4
139.12317	0.8
144.06563	0.9
166.08611	4.1
195.11278	4.0
211.14343	1.0
239.13905	10.4
279.17017	8.1
339.07294	0.4
360.18985	1.4
422.21304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
73.78081	25.3
85.14916	23.2
95.04985	30.0
114.02571	22.3
132.10188	31.3
180.26149	28.3
353.51218	27.0
421.56134	29.2
422.34677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	100.0
69.07069	34.8
69.35207	19.7
75.39198	20.1
79.05489	30.2
79.15662	24.7
81.03407	32.1
81.07044	73.8
83.04973	23.7
91.05437	31.1
93.07090	45.0
95.04950	56.4
95.08614	44.9
98.23511	45.7
101.36995	20.7
105.07018	57.1
107.08614	30.0
109.10152	70.4
119.08553	37.4
121.06529	25.1
121.10114	46.6
123.08066	64.7
127.91608	20.1
133.06592	22.7
135.08083	50.4
179.14362	51.9
199.99591	20.6
251.09491	23.2
299.20010	37.6
317.21060	31.1
320.22299	39.4
331.26181	35.0
386.23480	25.7
389.26559	60.0
422.35883	44.8
423.30978	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30787	0.2
55.05505	0.4
56.05017	1.0
57.07053	0.3
58.06340	0.2
58.06596	1.0
59.07392	0.2
60.08161	12.1
63.69972	0.2
67.05505	1.5
69.07059	0.4
69.93358	0.5
70.06609	0.5
71.07372	3.9
79.05489	0.7
81.07041	0.9
83.08632	0.3
86.09702	27.9
87.10038	0.4
88.07628	0.6
91.05499	0.4
93.07023	0.5
95.08611	0.7
97.24910	0.2
98.22769	0.3
98.98466	3.7
102.09171	0.4
104.10739	100.0
105.11072	1.8
107.08585	0.4
109.10151	0.9
124.81512	0.2
124.99998	19.9
149.02338	2.5
149.13330	0.2
158.36957	0.2
170.56357	0.2
173.11746	0.3
179.06273	0.2
184.07335	24.5
185.07765	0.4
193.04970	2.8
223.09062	0.2
256.26245	1.3
307.11200	0.3
404.29260	0.3
413.96793	0.3
422.30170	14.5
423.30518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
56.96567	0.4
69.97905	1.4
74.06073	1.2
84.04506	0.6
84.08136	1.2
85.02914	1.0
85.50240	0.4
94.32236	0.4
97.02888	0.7
98.97572	1.4
101.00861	0.6
112.96722	0.4
113.07144	1.0
116.98585	0.5
119.01916	1.9
119.28112	0.4
125.68230	0.4
131.01933	1.6
142.91072	0.5
145.02715	0.8
145.03627	0.6
147.04315	0.5
155.01891	1.2
157.03433	1.6
158.06642	2.4
161.02946	1.3
172.04317	0.4
173.02933	1.0
175.04442	0.7
176.07727	1.2
177.05437	2.4
185.02985	1.0
197.02972	0.6
197.97810	0.5
203.03935	0.9
221.05138	0.7
228.05737	1.0
238.07820	0.6
240.05800	1.1
244.05200	2.2
245.05069	4.8
246.06734	2.6
247.07150	0.5
252.05791	1.3
256.05151	1.0
258.06696	2.8
263.06155	2.1
268.05197	0.6
270.06671	3.5
277.00705	0.8
277.05496	0.7
283.09891	1.4
295.09882	1.2
300.07779	1.6
307.09811	0.8
311.09589	0.6
312.07745	3.5
313.10965	0.7
315.12601	0.5
321.11496	2.3
325.10925	2.0
327.12564	2.6
335.06061	1.6
337.11081	3.3
338.10953	0.8
339.12488	9.2
340.12622	1.0
347.45490	0.5
349.10965	0.8
351.12503	29.5
352.12637	2.1
353.07172	0.5
363.12485	100.0
364.12643	10.2
381.06488	0.7
381.13623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1645
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
53.03950	2.4
55.01883	1.8
57.03430	5.0
57.53161	1.4
61.02916	7.0
66.73862	1.6
69.03424	23.9
71.04978	2.7
72.04504	3.5
73.02912	3.0
79.05518	1.9
80.65260	1.6
81.03420	5.0
81.07047	1.8
85.02901	45.2
87.04467	2.9
91.05479	5.1
93.07028	3.9
95.04974	3.8
95.08530	1.9
97.02880	13.0
99.04450	6.5
103.03963	2.8
105.07029	3.4
107.04993	2.0
109.02872	6.8
109.06515	5.2
119.04993	1.5
119.08556	1.5
121.06524	2.5
123.04422	7.2
123.08128	1.9
125.02421	1.8
127.03888	9.8
129.07051	1.7
133.06473	3.5
135.04407	3.4
135.08141	2.0
137.05965	17.8
141.06975	1.8
145.04936	4.2
145.10161	1.8
147.08028	12.3
149.05977	3.7
151.03918	11.2
151.07533	11.1
154.07819	1.7
155.10715	2.1
156.13831	3.3
157.14203	2.1
159.08084	2.7
160.05206	2.8
161.06006	4.7
163.07491	3.6
169.10135	2.0
172.08858	4.1
173.09622	2.5
174.14816	1.7
175.07526	23.4
179.07018	4.6
179.08546	1.8
182.07312	4.3
187.07527	4.2
187.11168	3.2
191.07092	3.0
197.09628	6.1
199.07553	2.5
200.08273	5.4
201.09091	3.3
203.07013	14.6
204.07745	2.7
205.08482	2.2
213.09026	3.6
215.10667	42.9
217.08794	1.5
225.09145	3.2
228.07831	6.6
231.10196	3.4
242.09355	5.4
243.10156	32.0
244.10463	2.5
257.11771	2.4
261.11200	100.0
262.11621	6.6
285.11075	3.3
303.12231	4.5
379.13544	2.9
405.15530	3.6
423.12219	6.9
423.17209	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	423.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01860	9.5
55.05511	9.4
57.03437	17.8
59.04990	2.6
65.03936	2.6
67.05497	13.6
68.31703	2.4
68.46777	2.8
69.03416	15.1
69.06707	5.1
69.07062	51.9
70.06582	9.3
71.01324	2.7
71.05008	4.1
71.42896	2.9
77.03927	2.9
79.05490	14.6
81.03409	5.9
81.06667	2.3
81.07055	21.7
83.04973	11.7
83.08617	3.3
85.02893	5.4
90.75830	2.5
91.05468	22.5
93.07047	25.4
95.04961	11.0
95.08624	15.6
97.02888	3.3
97.06525	76.6
99.04441	10.1
105.07024	30.5
107.04947	4.1
107.08588	52.4
109.02892	4.5
109.06518	22.2
109.10147	11.0
111.04443	4.0
111.08073	7.6
117.07012	5.9
119.08582	25.4
121.06489	12.0
121.10137	32.7
123.08075	16.3
123.11691	4.2
125.05995	8.5
125.09635	6.7
127.03929	4.9
128.06204	6.2
129.06969	6.8
131.08569	25.8
133.06436	7.5
133.10106	27.2
135.08055	20.8
135.11687	12.5
137.05972	8.6
137.09602	6.2
139.07509	5.9
141.06969	3.1
142.07759	4.7
143.08531	18.0
145.06506	5.1
145.10132	20.2
147.08040	10.5
147.11696	14.4
149.05969	5.0
149.09608	14.9
149.13231	16.8
151.07538	23.0
151.11163	9.5
153.05482	6.9
153.06915	3.1
153.09183	3.0
155.08537	6.8
156.09349	7.5
157.10103	20.0
158.07335	3.0
158.10950	4.3
159.08066	12.5
159.11650	9.9
161.09601	29.0
161.13179	3.3
163.07486	3.5
163.11183	5.8
163.14803	15.4
165.09067	6.3
166.07761	3.2
167.06973	4.3
167.08426	3.7
169.10059	9.8
170.10936	9.8
171.06548	4.6
171.08064	9.4
171.11678	19.5
173.09641	36.3
173.13237	38.9
175.07495	4.3
175.11162	14.3
175.14891	3.0
177.09094	5.9
179.07051	5.8
179.08525	3.4
179.10612	15.9
181.10078	4.5
182.10812	5.0
183.08003	2.7
183.11659	10.1
185.09628	9.4
185.13264	19.0
186.10336	4.1
187.07509	3.7
187.11136	8.6
187.14746	4.6
189.09163	6.6
189.12717	17.8
191.14297	81.5
192.18719	2.8
193.08641	8.0
193.10219	3.4
195.08051	3.8
195.11652	5.1
197.08072	35.1
197.09630	6.1
197.13168	9.0
198.10196	3.3
199.07573	4.1
199.11145	9.0
199.14818	6.2
200.15562	3.2
201.09114	7.0
201.12730	10.4
203.10722	4.8
203.14268	4.5
205.08630	4.5
207.11751	5.5
207.13634	3.4
211.09515	5.6
211.11281	6.0
211.14755	5.2
213.09126	4.8
213.12737	18.9
215.07043	5.3
215.10635	18.8
215.14265	8.9
217.08578	15.0
217.12158	9.5
219.13760	6.1
221.13239	7.3
225.09206	3.2
225.12715	8.0
227.10684	4.8
227.14256	11.4
229.12158	7.8
229.15868	8.8
231.10197	5.7
231.13780	12.5
233.11713	5.5
239.09142	11.0
239.14278	12.2
241.12115	6.0
243.10185	8.0
243.13922	7.1
245.15341	26.3
253.15891	6.9
255.13779	6.7
257.11740	4.6
257.15439	14.8
261.11154	16.9
261.14767	4.1
267.13809	6.8
271.16931	6.2
273.14749	6.0
275.16406	3.7
281.15445	13.1
283.13431	2.9
283.16919	3.5
285.11279	8.1
285.14819	13.3
299.16309	18.8
301.14233	8.0
301.17886	3.5
303.12277	3.1
303.15909	9.6
309.14771	9.9
317.17490	30.4
327.15836	24.0
335.18402	22.2
345.16956	39.8
346.17380	3.4
363.13638	5.6
363.17990	100.0
364.18347	8.0
367.02377	3.0
423.15601	4.8
423.23511	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43745	7.7
55.01863	10.8
57.03436	24.5
64.97588	7.8
65.51949	6.7
67.05507	9.1
68.79519	7.2
69.03432	19.2
69.07066	55.5
69.95576	25.1
71.01357	13.3
71.05000	10.0
79.05481	16.0
81.07069	18.1
83.04992	14.9
89.51817	8.3
91.05489	22.5
93.07041	19.2
95.08609	20.3
97.06519	100.0
99.04470	27.1
105.07044	33.8
107.08583	43.7
109.06536	11.3
109.10172	7.4
111.08154	10.7
116.71172	7.1
119.08577	29.4
121.06470	10.0
121.10163	21.5
123.08096	25.7
125.05989	13.1
127.03899	11.5
131.08559	32.6
133.06485	8.9
133.10132	31.0
135.08083	26.5
135.11665	14.9
137.02385	8.7
137.09607	13.5
139.07603	8.7
143.07027	8.4
143.08585	14.0
145.10094	18.4
147.08072	12.9
147.11674	16.8
149.09531	16.4
149.13280	11.3
151.07500	43.2
157.10135	18.8
159.08054	8.5
159.11775	16.4
160.34091	8.9
161.09648	31.9
163.11154	11.1
163.14801	14.1
169.10135	8.4
171.08043	8.3
171.11734	24.6
173.09628	34.7
173.13326	24.8
175.11194	22.2
179.10735	19.0
185.13298	22.3
187.11230	22.6
189.09094	12.1
189.12785	20.7
191.14307	88.8
193.08633	16.9
197.08092	68.6
213.09171	8.9
213.12766	31.9
215.07082	13.0
215.10716	30.3
217.08643	34.9
217.12254	13.6
227.14230	15.1
231.13875	22.3
239.09145	19.1
243.10309	9.2
261.11154	15.2
261.14313	6.8
281.15427	13.2
299.16425	33.6
301.14334	28.7
317.17508	71.6
327.15906	19.3
335.18405	44.7
345.16934	67.3
363.17981	77.0
423.15515	9.5
423.23602	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	423.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.3
55.48417	7.7
56.96553	10.6
65.72414	7.1
67.05503	80.9
68.40498	7.8
69.07065	16.2
76.07196	8.2
79.05489	26.5
81.03389	16.3
81.07043	40.2
91.05470	18.7
93.07034	23.8
95.04975	32.1
95.08597	22.2
97.06586	12.1
105.06987	14.8
107.08570	19.5
109.10152	40.3
112.07226	7.4
119.08557	23.7
121.10149	25.6
123.04438	13.1
123.08075	20.2
129.07083	8.6
129.49263	7.6
130.32532	7.6
131.08595	10.7
133.10129	16.5
135.08096	8.2
140.23772	7.5
145.10059	18.0
147.08133	9.8
147.11678	10.2
149.13289	15.5
149.60687	7.6
151.64606	7.3
156.28896	8.8
159.11632	9.6
161.09641	15.7
163.11198	36.8
171.11743	9.7
173.13086	8.6
175.14804	11.6
177.12701	9.7
193.15979	11.7
197.13295	8.8
297.18585	19.7
315.19446	43.5
363.17938	14.3
375.21552	12.9
423.21478	100.0
423.27216	23.5
424.53415	8.1
442.36224	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.01679	0.6
55.05488	0.5
57.07066	0.6
67.05499	1.9
69.68816	2.1
70.06577	1.2
77.05023	0.5
79.05509	0.8
81.07041	1.3
85.45156	0.5
88.02801	0.5
88.07653	0.9
91.05486	0.6
93.07040	0.8
93.65640	0.6
95.04962	0.6
102.09177	1.0
102.79389	0.5
107.54739	0.5
109.10185	1.7
141.08711	0.6
149.02335	1.9
150.02678	1.5
183.80038	0.6
193.04970	3.0
194.05353	2.2
256.26147	0.6
257.26654	1.6
278.96558	0.5
279.07672	0.5
423.23541	100.0
423.28934	5.5
424.23886	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	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.5
65.03931	0.5
65.06278	0.3
66.68095	0.4
67.05507	2.2
67.16716	0.3
69.07071	0.7
69.36301	1.7
70.06585	1.1
71.27397	0.3
71.43174	0.3
76.04240	0.4
79.05492	0.7
79.87378	0.3
81.07056	2.1
83.08633	0.4
91.05483	1.0
93.07047	1.4
95.04968	0.8
102.09199	0.7
105.07012	1.1
107.08608	0.9
109.10160	1.5
109.65360	0.4
116.10777	0.4
117.07049	0.5
119.08576	0.8
121.10143	0.8
131.08592	0.6
133.10141	0.9
135.07985	0.5
135.11768	0.5
141.31615	0.4
145.10243	0.5
149.02345	3.8
149.03439	0.5
150.02682	1.6
159.11736	0.5
188.99246	0.4
193.04924	3.7
194.05321	2.1
199.92377	0.4
256.26392	1.0
257.26730	2.4
331.22543	0.6
349.19980	0.9
423.23529	100.0
423.29007	6.1
424.23831	8.7
424.29089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.6
57.07069	8.4
59.05000	8.4
62.98259	8.0
67.05503	82.6
69.07070	27.8
71.08647	8.6
72.02547	5.9
79.05494	41.3
81.07055	100.0
82.45011	5.9
83.08617	10.5
91.05477	35.1
93.07027	48.9
95.04965	11.6
95.08614	48.6
97.06496	5.6
97.10150	7.1
105.07034	36.6
105.10628	5.2
107.08588	37.3
109.06512	27.1
109.10165	63.5
111.05543	10.3
117.07015	9.3
119.08566	40.5
121.10149	34.4
123.08065	46.2
123.11692	9.8
127.07481	5.8
129.06990	9.8
131.08559	21.4
133.10091	45.7
135.08095	9.3
135.11693	28.9
137.09592	15.1
143.08551	8.7
145.10118	17.7
147.11668	23.0
149.09732	7.2
149.13261	16.2
151.11208	29.0
157.10110	10.3
159.11661	29.4
165.12816	12.6
171.11786	10.4
173.11783	9.7
173.13300	10.7
175.14757	18.3
179.14301	62.1
187.03687	6.2
193.15862	49.3
197.13257	8.0
199.14838	8.3
211.13284	10.3
215.14252	7.5
221.15393	43.8
256.43399	5.5
267.21170	7.4
275.19937	6.7
279.15656	8.0
280.16565	9.0
285.22168	24.3
303.23111	30.8
323.19461	6.9
331.26453	38.2
331.29733	6.3
341.20786	35.5
363.25156	9.2
389.26816	8.1
422.36200	10.5
423.26196	11.9
423.27969	15.6
423.31000	68.6
423.36261	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01851	6.6
55.05507	30.2
57.03428	8.8
57.07066	7.0
64.69660	2.8
65.03949	3.4
65.39433	2.8
67.05502	100.0
67.05871	6.0
69.03431	28.6
69.07063	34.2
71.04984	10.8
71.08641	5.2
71.43434	2.6
73.02917	4.7
76.40846	3.0
79.05484	55.1
81.03414	26.1
81.07053	88.8
83.04970	9.2
83.08617	13.1
85.02910	11.8
85.06553	4.8
91.05473	57.3
93.07039	80.2
95.04936	18.8
95.08596	69.4
97.02893	13.3
97.06528	7.1
97.10167	6.9
97.73406	2.8
99.04464	4.1
99.08062	4.3
103.03963	3.7
105.04504	2.7
105.07027	54.5
107.04960	8.2
107.08588	53.3
109.06521	19.9
109.10141	40.9
111.04430	3.8
111.05569	6.5
111.08094	5.6
112.65147	2.8
115.04012	3.0
117.07010	21.9
119.08574	46.0
121.06497	5.7
121.10118	31.2
123.08070	29.6
123.11695	12.3
125.09654	4.1
127.03933	4.8
128.06282	3.6
129.05492	4.8
129.07004	11.7
130.07780	4.9
131.08548	35.5
133.10114	37.1
135.08054	13.6
135.11681	26.9
137.09613	5.8
137.13264	4.6
142.07765	4.0
143.08501	14.3
145.10124	36.5
147.06711	3.1
147.08049	7.3
147.11684	27.2
149.09602	8.0
149.13217	20.4
155.08546	6.5
157.10158	15.5
159.08148	3.4
159.11641	24.1
160.64038	2.8
161.09586	6.4
161.13203	19.3
163.11169	5.3
163.14880	8.0
167.08612	3.4
169.10149	7.4
171.11676	11.9
173.09636	3.0
173.11919	4.9
173.13206	17.9
175.11224	3.9
175.14822	11.4
179.14294	65.6
183.11630	4.4
185.13310	8.4
187.14836	7.5
189.16402	4.6
191.14281	3.0
195.11612	3.9
197.13284	3.4
199.14815	11.0
201.16350	5.2
205.15845	6.7
213.16377	7.2
214.52997	3.6
233.15363	4.0
241.19591	6.8
243.21165	4.8
259.20569	12.0
261.22067	16.7
269.22623	24.0
277.21661	6.3
289.21683	4.8
303.23126	14.3
305.93576	3.5
315.23074	5.3
329.25040	3.2
331.26300	34.1
341.24783	3.6
345.24271	3.2
351.23187	7.6
369.24161	19.9
387.25235	14.2
405.25919	17.1
423.26175	3.5
423.31509	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01859	1.1
55.05509	5.4
57.03419	2.1
57.07076	3.4
65.03955	0.9
67.05505	8.2
69.03454	0.5
69.07066	7.3
69.25409	2.7
71.04989	1.1
71.08630	3.2
75.04482	0.7
79.05492	6.0
81.07051	12.0
83.04935	0.7
83.08614	2.7
85.06542	1.9
85.49226	0.6
91.05482	3.1
93.07040	8.2
95.04974	0.9
95.08601	10.8
96.08926	0.5
97.06524	1.9
97.10178	1.2
98.22754	0.9
99.08083	1.6
105.07022	5.3
107.08591	6.3
109.06510	16.0
109.10150	3.6
111.08102	1.4
113.00006	1.0
117.06998	0.5
119.08571	5.7
121.06466	1.1
121.10126	5.1
122.07285	1.5
123.08065	39.8
123.11685	1.2
125.09633	0.8
131.08577	1.9
133.10133	3.9
135.08058	8.5
135.11665	2.0
137.09641	2.4
137.13277	1.0
145.10120	2.2
147.11678	2.4
149.09633	3.1
149.13255	1.3
151.11266	0.7
157.10127	0.7
159.11696	2.9
161.13229	0.9
163.11194	1.1
165.12793	1.1
167.14349	1.0
173.13194	1.3
175.14902	0.7
177.12794	3.2
179.14301	57.2
180.14648	1.6
189.16280	0.6
191.14268	1.3
193.15907	1.7
203.18028	0.7
205.15895	3.6
215.17964	0.5
233.19075	1.8
244.11958	0.6
247.20595	1.3
263.20035	1.2
264.63388	0.6
275.20078	3.4
289.25345	0.9
299.83221	0.6
303.26840	3.5
311.25821	1.3
313.25439	0.6
331.26297	38.0
332.26807	3.1
349.27069	0.9
367.25000	1.2
405.30112	0.6
423.31033	100.0
424.31305	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05515	5.2
57.03444	3.0
57.07072	5.2
57.82358	0.6
65.03946	0.6
65.40535	0.5
67.05498	8.4
69.07069	6.4
71.04974	1.4
71.08632	5.4
79.05497	6.2
81.07053	14.4
83.04967	1.4
83.08627	3.4
85.06541	2.8
91.05482	3.5
93.07044	7.0
95.04945	1.6
95.08606	13.0
97.06509	2.1
97.10149	0.8
98.23508	1.4
99.08097	2.3
105.07030	5.6
107.08582	8.5
109.06516	20.5
109.10159	4.1
110.06876	0.7
111.08067	1.6
117.07008	0.7
119.08590	6.0
121.06465	0.8
121.10130	4.3
122.07281	2.1
123.08068	37.7
123.11681	1.7
124.08385	1.0
125.09593	0.8
131.08524	1.8
133.10123	4.6
135.08035	8.6
135.11652	2.1
136.08807	0.8
137.09613	2.0
137.13300	0.6
145.10152	3.0
146.23451	0.6
147.11682	3.2
149.09605	1.9
149.13243	1.2
159.11673	1.2
161.13246	1.7
163.11108	0.6
165.12759	1.7
167.14296	1.2
173.13245	1.0
175.14799	0.8
177.12718	2.1
179.14302	91.3
180.14684	3.2
189.16420	0.7
191.14281	0.9
193.15855	2.8
205.15884	3.4
233.19035	1.6
247.20656	0.8
263.20129	0.8
275.20071	1.7
289.25058	1.0
293.21240	1.1
303.26901	2.5
325.93176	0.6
331.26303	34.4
332.26721	2.6
349.27274	7.7
350.27673	0.8
367.24936	1.6
389.26523	2.1
405.30042	1.8
423.31046	100.0
424.31448	7.9
438.08035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05515	7.5
57.03426	2.3
57.07075	2.5
67.05506	10.2
69.03420	0.8
69.06712	1.0
69.07068	13.3
69.19632	4.7
71.04994	1.5
71.08633	1.2
75.04483	1.4
77.31321	0.7
79.05485	8.4
81.07059	17.2
81.07509	1.3
83.05008	0.9
83.08606	3.8
85.06570	0.8
88.01520	0.8
89.06026	2.5
91.05472	4.9
93.07050	11.3
95.04972	1.6
95.08603	16.0
97.06535	2.4
97.10184	2.3
100.38157	0.8
103.21508	0.7
105.07022	8.9
107.08591	11.4
109.06507	11.0
109.10143	7.5
111.08087	2.0
119.08580	9.1
121.10144	8.9
123.08070	47.6
123.11708	3.3
124.08399	1.0
125.09670	0.9
131.08562	3.2
133.08592	2.0
133.10135	5.4
135.08064	11.9
135.11699	4.2
137.09613	3.7
137.13213	1.2
143.08609	1.2
145.10117	4.0
147.11691	4.9
149.09589	4.9
149.13287	4.9
151.11276	1.2
157.10101	1.1
159.11671	5.6
161.13312	3.0
163.11165	0.8
163.14835	1.1
165.12766	0.9
171.11732	0.8
173.13290	2.3
175.14827	2.0
177.12729	4.8
179.14296	18.7
183.11690	0.8
185.13272	1.0
187.14847	1.3
197.13281	0.8
201.16388	1.1
203.18088	0.8
205.15962	1.7
211.14967	1.0
213.16585	0.9
215.17996	1.1
227.17941	1.1
239.14984	0.8
247.20604	2.3
261.22308	0.8
263.20132	2.6
275.20068	6.3
277.21704	1.0
303.26819	8.5
331.26303	44.7
332.26715	2.9
349.27484	1.6
367.24805	3.5
405.30026	1.1
423.31055	100.0
423.35892	5.3
424.31287	8.5
424.36432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82487	0.6
52.97246	0.7
55.01875	0.7
55.05510	5.5
57.03417	1.6
57.07073	6.0
59.83513	0.5
66.01427	0.7
67.05497	8.1
69.07068	6.5
71.04978	1.9
71.08635	5.9
79.05486	6.4
81.07053	14.4
83.04972	1.3
83.08612	1.9
85.06529	2.7
89.06004	2.0
91.05486	4.0
93.07037	8.2
95.04957	1.4
95.08603	11.9
97.06496	2.1
99.08076	2.9
105.07009	5.7
107.08580	8.4
109.06514	18.9
109.10129	5.4
111.08067	1.0
117.06985	1.3
119.08563	4.8
121.06602	0.8
121.10129	5.3
122.07283	2.2
123.08064	33.8
123.11662	2.0
131.08498	1.8
133.08643	0.9
133.10103	4.3
135.08049	9.3
135.11681	2.5
137.09644	1.4
144.15074	0.7
145.10155	3.3
147.11661	2.8
149.09621	1.9
149.13174	1.2
157.10123	0.8
159.11656	1.7
161.13228	1.5
163.14853	1.0
165.12758	1.9
167.14372	0.9
173.13231	1.4
175.14796	1.4
177.11299	0.7
177.12708	1.4
179.14299	91.7
180.14685	3.4
187.14778	0.9
189.16402	1.0
191.14287	1.1
193.15878	2.8
205.15837	3.6
229.37653	1.0
233.19102	1.4
239.14940	0.9
275.20117	1.7
289.25153	0.8
293.21280	1.2
303.26895	1.9
310.64960	0.7
313.25266	0.7
331.26294	36.4
332.26575	3.5
349.27377	8.4
350.27966	0.8
367.24863	1.7
405.29990	1.9
423.31049	100.0
424.31409	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96513	1.5
55.05500	3.0
67.05500	10.3
69.07057	9.4
69.62440	3.0
69.62845	5.9
79.05505	8.0
81.07051	36.5
83.08624	3.3
83.68840	1.5
93.07051	8.9
95.04995	1.6
95.08605	21.8
97.10182	2.6
105.07036	4.2
106.11279	1.5
107.08601	11.1
109.10143	19.1
119.08575	5.1
121.10139	10.7
123.11697	7.0
133.10094	4.1
135.08040	1.7
135.11679	7.4
137.09613	7.3
137.13264	3.3
140.87459	1.5
147.11720	3.1
149.09613	6.1
149.13304	10.8
159.11755	2.0
161.09599	2.3
161.13235	2.1
163.14844	4.4
165.09103	100.0
166.09454	3.7
175.11186	2.4
177.09138	2.4
179.10686	3.1
182.17148	1.5
189.09146	2.0
189.16365	1.9
191.10643	4.1
191.17935	2.2
203.10690	6.2
203.17953	5.7
205.12216	11.2
205.19540	2.4
217.12360	2.1
219.13870	1.8
231.13855	2.9
243.14061	2.0
245.15257	1.7
271.24252	2.0
304.91577	1.5
350.98108	1.6
423.32352	16.1
424.33218	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46519	2.7
56.85745	2.7
61.24559	3.3
68.14559	2.8
76.09180	3.3
79.05469	4.3
81.03424	3.3
91.05465	14.5
93.07041	53.3
95.04955	14.3
95.53972	2.7
98.22630	7.3
107.04958	3.0
112.90211	3.0
119.59736	2.8
121.06500	42.4
141.22444	3.4
149.05969	59.5
167.07021	100.0
168.07376	4.0
182.84235	3.0
189.30959	3.7
206.16995	2.9
217.07175	2.8
292.71869	2.9
385.71255	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53877	1.2
67.05516	1.6
69.54072	4.6
71.01348	1.7
71.05003	2.0
79.05480	2.1
81.02965	2.8
81.03418	37.3
83.04960	1.3
85.02897	4.3
91.05479	3.2
93.07033	5.8
95.04958	6.6
97.02895	1.7
97.06541	2.8
97.11839	1.4
98.23474	2.8
99.04455	2.4
107.04961	2.6
109.02893	1.5
121.06509	21.6
123.04428	38.2
124.68826	1.5
125.05973	4.1
137.62508	1.6
139.07535	5.9
142.40654	1.6
149.05963	10.4
167.07039	100.0
168.07458	2.0
189.97719	1.4
225.29936	1.6
227.09134	6.7
246.68794	1.7
265.68384	1.5
274.46243	1.7
440.91949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01873	13.6
55.05517	3.2
57.03428	8.8
61.02933	10.0
63.91169	3.4
67.05502	43.8
67.72085	2.9
68.99774	4.7
69.03423	34.1
69.76624	11.4
71.05003	4.9
73.02901	13.2
76.26447	2.7
79.05478	3.1
81.03417	32.9
81.07050	42.9
83.01320	3.4
85.02901	100.0
85.03418	5.0
87.00828	38.5
91.03920	5.6
97.02887	68.1
98.22605	3.0
99.04482	19.4
100.83495	2.7
105.01864	45.5
109.02880	35.2
117.01836	7.1
123.11721	28.8
124.12127	2.6
127.03912	89.5
128.04175	4.3
129.01831	4.1
142.27707	2.7
145.02882	5.8
145.04951	52.9
145.79631	2.5
147.02872	3.8
147.04478	2.7
159.02921	26.5
177.04132	2.7
177.05487	13.1
194.14496	3.2
209.86583	2.7
231.04976	22.9
249.05988	5.5
274.05319	4.1
424.15085	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.3
55.01873	11.6
58.32461	4.0
61.02906	7.5
67.05505	38.8
69.03418	35.1
69.77396	14.8
70.38637	4.3
71.04987	6.5
73.02914	10.5
79.05492	6.4
81.03404	38.2
81.07050	45.0
83.70879	4.5
85.02902	100.0
87.00814	47.9
96.71214	4.4
97.02879	63.8
99.04462	16.4
105.01863	49.4
109.02871	41.9
117.01855	7.7
123.11728	29.7
127.03916	84.4
145.02869	4.9
145.04950	62.7
146.78502	4.4
155.26929	4.4
159.02890	28.6
167.06903	5.0
177.05380	10.6
189.03792	4.8
231.04988	21.6
424.14960	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.34106	0.9
55.01860	0.9
55.43792	0.7
61.02925	1.2
67.05494	2.0
67.16890	0.7
69.03438	2.4
69.53261	3.3
71.04987	10.5
71.08624	10.3
73.02930	1.2
81.03423	4.3
81.07059	3.8
85.02903	6.8
87.00821	4.3
95.40702	0.8
97.02897	3.7
99.04472	1.7
99.08092	8.6
100.11240	1.6
105.01868	1.7
109.02887	2.2
117.01860	0.8
127.03928	5.1
127.75006	0.7
141.12732	100.0
142.13089	4.0
145.04979	1.4
153.38670	0.9
159.02882	1.2
159.13811	16.2
159.15071	1.4
177.05508	1.2
210.06990	0.8
220.52652	0.8
251.17416	0.9
395.93143	0.8
424.13861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03986	0.8
55.01868	1.1
55.05499	1.2
57.03433	16.0
61.02927	4.7
67.05500	10.4
69.03424	17.2
69.87770	2.0
69.88109	1.3
71.01354	1.1
71.04995	0.9
73.02913	32.8
75.36131	0.7
79.05470	0.8
81.03420	3.0
81.07054	0.8
85.02901	31.5
85.03417	1.7
87.04469	1.6
91.03951	1.4
91.05453	1.2
93.07042	4.7
95.08601	100.0
96.08956	2.4
97.02889	27.0
98.03190	0.8
98.09700	3.3
98.23383	1.4
99.04465	2.2
105.07046	1.2
107.08569	0.8
109.02860	2.7
113.09640	24.3
115.00983	0.7
115.03926	16.7
115.04715	1.2
116.10730	3.2
119.08589	0.9
121.06597	0.7
123.08078	2.7
127.03896	7.8
133.04991	4.5
145.04933	8.3
146.05226	0.7
150.07608	2.3
150.98190	0.7
151.07562	2.4
163.06007	3.4
167.07062	1.1
177.08844	1.0
196.07336	1.9
197.11746	0.8
203.10480	0.8
209.11697	1.0
223.06017	1.9
239.12772	0.9
241.07100	3.7
257.13913	1.2
259.08145	2.3
275.14862	1.0
295.10193	1.4
381.15115	1.8
411.34100	0.9
424.19321	0.9
425.13983	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	424.2323
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
55.05511	1.2
56.05030	30.1
57.03428	1.1
58.06591	6.4
60.04508	0.7
62.06071	2.3
67.05496	0.7
69.03403	1.4
69.07049	0.9
70.06581	0.9
71.44504	0.9
72.04511	17.5
74.06068	7.0
79.05467	0.9
81.07048	1.6
83.04983	0.9
84.04506	0.9
85.02900	1.1
86.06057	18.2
86.09676	0.8
91.05478	1.3
91.08469	0.6
93.07034	2.5
95.04976	1.4
95.08613	1.9
97.06499	0.6
98.06023	1.5
102.05531	14.6
103.06308	6.7
104.07098	23.3
105.07031	2.0
107.08582	2.4
109.10166	1.8
112.05088	4.3
112.07593	0.8
114.05515	2.0
116.07108	1.7
119.08607	3.0
121.06516	1.1
121.10165	1.2
123.08116	1.1
124.07607	0.8
128.07100	2.1
129.07005	0.8
131.08554	1.5
132.14958	0.8
133.10112	3.3
135.08041	2.4
135.11804	0.7
137.06010	0.8
137.09584	0.8
138.05527	1.7
140.07077	0.8
143.08546	1.0
144.06540	1.9
145.10146	2.4
147.08064	1.0
147.11661	1.6
149.09616	1.1
151.07539	1.1
151.11206	1.8
152.07048	1.0
154.08646	0.7
156.06555	3.9
157.10139	1.6
159.08067	1.4
159.11725	2.1
161.09605	3.3
163.11215	0.9
169.10139	1.2
170.08084	0.7
171.11696	2.0
173.09631	2.3
173.13293	2.2
175.11189	1.8
177.09009	0.7
177.12732	1.0
179.10683	2.7
183.11688	1.3
185.09566	0.8
185.13274	1.3
187.11214	1.7
189.12727	1.9
194.63776	0.6
197.13371	0.6
199.11174	0.7
201.12833	1.0
203.14354	1.0
211.14845	1.0
213.12854	0.8
215.14293	1.0
217.12201	1.3
227.12663	1.3
229.12225	0.7
229.15933	1.0
231.13870	0.9
235.13206	0.7
239.14268	1.3
245.15387	0.9
257.15356	1.7
263.16467	1.9
285.14807	1.3
303.15854	4.0
321.16940	1.5
378.22693	2.2
380.10333	0.8
388.21323	2.2
406.22183	17.7
407.22369	1.8
424.09152	2.1
424.23251	100.0
425.23526	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	424.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	6.8
60.44638	5.5
67.05497	18.0
69.39359	27.0
81.03417	52.2
83.80599	5.5
83.98246	5.5
88.17562	5.0
88.62554	5.4
91.05467	7.7
95.04967	100.0
99.54079	5.9
114.90366	5.7
119.08608	5.5
123.04415	88.0
133.10129	13.8
135.08015	12.8
149.09631	12.9
177.05463	6.0
189.12756	55.2
197.26019	5.9
207.13805	57.9
240.40710	6.0
307.32336	5.9
311.16391	6.0
329.17529	14.4
389.19574	8.7
419.06879	7.2
424.23303	16.0
425.24673	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	424.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.06426	1.4
55.01876	2.2
55.05511	3.6
57.03442	3.4
57.07082	1.7
65.03947	2.6
67.05509	5.2
69.03440	2.9
69.07063	6.3
69.21383	1.6
70.07091	2.7
71.04990	2.4
72.60071	1.5
79.05488	7.1
81.03434	1.5
81.07066	10.5
83.04990	4.0
83.08620	2.7
91.05489	6.9
93.07048	12.9
95.04973	3.6
95.08611	6.1
97.02895	2.4
97.06526	2.3
99.04449	7.2
105.07014	10.7
106.53687	1.4
107.08583	31.8
107.09258	2.2
109.06510	6.0
109.10155	9.3
111.08006	1.8
117.07040	1.7
119.08573	11.3
121.06491	2.7
121.10141	26.6
123.08080	5.3
123.11700	12.1
127.03896	1.9
131.08554	13.6
133.10107	16.6
135.08038	9.8
135.11696	10.9
137.09596	3.6
141.68057	1.5
143.08577	3.2
145.10132	9.5
147.11678	6.9
149.09622	7.7
149.13234	15.2
151.11185	5.3
155.07033	3.4
157.10164	2.8
158.10921	5.5
158.26015	1.5
159.11678	2.9
161.09679	2.9
163.11201	2.3
163.14787	15.0
164.15187	1.7
169.08626	2.0
169.10098	2.6
171.11716	3.3
173.13263	25.2
175.11241	2.8
179.10664	4.1
181.08577	3.5
183.11635	2.1
185.13278	1.7
187.11073	3.0
189.12616	1.5
191.14302	100.0
192.14693	4.8
193.15872	4.7
197.09627	1.7
197.13231	1.8
199.15109	1.6
201.12694	1.7
209.13263	2.6
211.11197	3.1
213.12691	1.7
217.12280	2.2
218.81772	1.5
227.10658	1.8
229.12221	2.2
257.11780	2.0
269.15588	1.8
275.12775	6.5
301.18283	2.0
305.17514	3.2
311.16351	3.7
329.17474	11.8
347.18527	65.1
348.19000	2.2
365.19684	5.0
424.23401	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	424.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.7
59.56145	4.6
60.40809	4.9
65.03933	4.9
65.57879	4.9
65.89986	4.4
67.05486	21.2
70.72513	5.4
73.70581	4.5
77.71690	5.5
79.05494	8.2
81.03423	45.4
83.60896	4.8
91.05466	6.2
93.07034	12.5
95.04416	8.2
95.04973	92.4
95.08585	10.4
105.06994	11.8
107.04954	8.5
107.08597	23.6
108.27081	4.9
109.06500	7.8
115.05439	5.2
119.08563	21.2
120.89670	3.9
121.06508	12.8
121.10139	48.6
123.04441	29.9
123.08051	21.9
123.11726	7.3
126.54395	4.7
133.10129	13.4
135.08066	12.0
135.11673	21.8
138.95668	4.6
143.08478	5.9
145.06450	9.5
145.10080	23.4
147.07996	5.8
149.09615	6.3
155.08438	5.2
159.11717	10.8
163.11177	85.0
173.13255	15.8
175.11183	5.2
175.14796	27.4
177.09148	5.8
177.12776	14.9
187.11238	4.8
189.09097	5.0
191.14326	6.5
193.15840	25.9
199.11140	8.7
203.14078	5.4
211.11066	5.3
215.14305	11.5
221.15375	15.5
229.15823	6.1
233.15247	5.5
239.14182	6.4
241.15901	10.7
259.16855	6.4
269.19037	18.0
271.16937	5.2
279.17410	10.9
297.18515	57.2
315.19495	100.0
316.19907	9.7
333.20618	29.7
375.21683	43.0
424.26889	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	424.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17831	9.4
66.03730	10.4
67.05502	15.4
69.97452	9.4
74.03143	10.1
78.78561	11.0
81.03417	46.7
81.07093	12.9
93.07048	29.0
95.04955	89.9
98.22713	33.9
107.08593	19.2
112.82384	9.7
119.08575	21.6
119.91573	9.9
121.06494	15.1
121.10146	43.2
123.04411	31.0
123.08061	27.8
133.10120	20.6
135.08076	11.6
135.11693	20.9
145.06522	15.7
145.10110	9.5
161.09566	13.4
163.11176	60.3
175.14816	22.0
185.09579	11.5
193.15869	31.8
197.13383	10.5
221.15305	17.5
269.18930	12.9
279.17334	11.1
297.18433	62.2
315.19516	100.0
333.20621	16.8
375.21652	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95615	17.3
56.82879	15.4
57.03450	15.3
57.41724	16.8
59.41134	13.9
65.56078	15.4
66.39574	15.6
67.95850	16.5
70.91956	20.8
70.98154	17.7
79.64206	15.2
81.03414	38.6
87.75274	19.8
88.07648	17.8
95.04977	48.1
111.90446	16.0
119.08546	18.6
121.10117	48.8
123.08049	26.4
124.68330	15.7
133.10089	23.6
163.11195	46.8
175.14838	24.3
221.15813	19.4
263.05756	19.1
297.18509	47.3
315.19391	100.0
333.20547	40.1
375.21481	58.4
424.26642	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	424.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29686	2.1
55.05515	3.0
57.03432	5.0
65.16845	2.1
67.05501	12.8
69.07043	2.7
69.91843	6.2
70.06602	2.9
71.05003	3.7
79.05483	4.7
81.03407	30.0
81.07042	7.5
86.09703	7.1
91.05493	4.2
93.07044	10.4
95.04965	63.4
95.08622	8.3
96.05331	2.4
97.06506	2.4
97.13466	2.4
102.59288	2.5
105.07036	7.7
107.08597	6.8
109.06472	2.7
109.10138	2.5
119.08577	9.0
121.06503	4.9
121.10154	12.7
123.04423	7.1
123.08068	6.0
129.07005	2.9
133.10135	8.1
135.08011	4.2
143.08495	2.9
145.06502	5.0
145.10158	3.7
147.11671	12.6
149.02333	2.8
157.10208	3.8
159.11624	3.2
161.09599	3.3
163.11197	5.6
173.13261	4.6
175.11171	7.9
175.14827	10.5
177.12721	4.1
185.09554	3.1
185.13179	2.6
187.11046	2.4
191.14307	9.7
191.56924	2.9
193.15866	25.1
194.05188	2.9
194.30898	1.9
203.14391	2.4
207.64674	2.1
213.12672	2.6
215.14256	3.2
221.15283	4.3
239.14322	3.8
241.15889	3.2
247.87154	3.1
259.16806	2.9
267.17462	6.6
269.18903	3.1
277.22144	2.6
283.16849	26.5
285.18564	8.1
297.18442	11.2
315.19528	100.0
316.19739	6.1
333.20575	24.8
339.23053	16.8
375.21625	35.5
424.26428	11.3
424.31866	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	424.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.7
67.05498	28.3
67.72495	4.1
69.07065	12.6
69.56895	10.0
69.57286	8.6
79.05484	19.5
81.03413	5.7
81.07050	58.0
83.08602	7.4
91.05474	22.6
93.07045	35.4
95.04986	6.2
95.08595	51.3
97.06506	4.3
105.07014	60.5
106.07329	4.1
107.08590	34.9
109.10123	38.0
117.06996	14.1
119.08570	31.2
121.10122	19.8
123.08022	5.4
123.11684	14.8
129.06979	12.5
131.08554	33.8
133.10146	28.9
135.11693	15.8
143.08548	32.2
145.10117	34.7
147.11635	21.5
149.13240	11.8
157.10172	23.5
159.11702	22.1
161.13231	44.7
163.14777	11.3
171.11678	18.4
173.13177	22.0
175.14848	17.5
179.14241	5.7
185.13278	15.1
187.14807	15.0
192.55908	4.2
199.14806	24.2
201.16359	12.0
213.16377	34.1
227.17906	7.9
260.41611	4.1
260.93594	5.0
269.22632	100.0
270.22928	9.7
273.18585	4.8
287.23651	18.9
329.24750	10.1
424.31363	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
56.95256	1.4
57.07071	75.1
59.04983	3.7
67.74142	1.7
69.07047	6.4
69.90527	5.7
71.08624	54.8
73.06553	2.2
78.48933	1.6
78.72094	2.3
85.10173	33.7
87.04449	3.6
89.06022	100.0
90.06362	2.1
97.10132	4.0
99.11699	9.2
103.03957	10.7
103.07558	4.6
107.07033	3.0
111.11710	4.3
113.13271	5.8
114.71926	1.6
121.08657	1.8
131.07133	1.9
133.08589	55.3
133.09572	3.5
147.06496	1.7
151.09653	6.1
177.11221	13.2
195.12328	3.0
197.63351	1.5
239.14873	40.9
240.15190	2.4
257.24628	3.2
279.73962	1.9
283.70477	1.7
301.27408	1.8
339.52014	1.9
363.30872	1.9
403.73224	1.7
407.28839	2.6
407.33670	34.4
408.34113	3.1
412.02728	1.6
424.37473	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71429	8.1
58.62628	6.6
69.49358	34.6
73.52960	6.7
101.00884	25.4
113.00887	8.8
119.01937	28.4
129.38165	6.9
131.01952	15.1
143.01913	38.9
150.25316	7.2
155.01888	27.4
157.03474	15.3
161.02989	50.0
173.02991	24.1
178.65385	7.3
185.02940	41.7
197.03021	20.0
197.49878	7.0
203.04039	23.1
221.05000	8.1
241.19879	7.0
245.05101	100.0
262.40009	7.3
263.06265	42.7
275.06122	37.2
287.04477	10.9
305.07193	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	425.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79120	3.8
56.05048	4.0
56.96573	7.5
58.06591	10.6
69.03441	4.7
69.76746	13.8
70.06590	12.7
71.05001	4.9
72.08157	6.7
91.05472	5.6
98.97591	15.7
102.06648	5.7
102.09135	4.4
105.41040	3.5
108.08124	8.6
110.97540	3.5
116.98652	4.6
120.08064	4.3
140.07086	4.8
142.09560	3.7
154.12279	6.1
177.05484	5.2
183.05879	3.5
191.16075	4.1
192.05479	4.2
195.03314	4.7
213.12376	4.4
213.66403	4.0
218.53793	3.4
219.01746	7.9
237.02840	11.8
239.02368	4.7
246.99416	3.5
263.08987	6.4
279.05783	3.8
339.07523	21.0
357.08557	16.5
374.23099	9.0
381.08633	7.4
406.25974	16.6
407.26349	12.1
424.26898	100.0
425.08560	40.2
425.18091	5.2
425.27213	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79755	0.5
57.03435	0.6
60.27296	0.5
61.16210	0.5
65.96240	0.6
69.03413	0.6
71.41763	0.7
85.02902	0.6
91.04027	0.5
97.02879	0.6
109.10121	0.7
114.10391	0.6
123.33695	0.5
152.22665	0.6
160.08574	0.6
175.07562	1.0
177.05478	1.8
177.08870	9.6
201.90868	0.5
205.08362	5.2
219.09834	0.8
227.05080	0.6
255.07600	0.5
256.55423	0.7
263.12653	1.4
271.70157	0.6
321.12955	1.0
339.14117	22.9
340.14404	1.3
351.57523	0.5
363.14124	0.7
372.00272	0.6
381.15186	55.5
382.15155	2.6
390.92850	0.5
399.48904	0.5
425.14105	100.0
426.14490	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	425.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91745	0.6
58.80708	0.5
63.23886	0.5
63.44683	0.5
66.06649	0.5
66.06984	0.6
70.55358	0.8
85.02837	0.6
93.07055	0.9
122.94340	0.6
152.07933	0.8
159.07808	0.7
177.08867	10.3
185.04294	0.6
205.08372	4.0
227.05228	1.1
245.11653	1.4
263.12756	1.8
277.28986	0.6
293.31622	0.7
305.13708	0.7
321.12964	1.3
339.14114	20.2
340.14319	1.6
363.13953	0.8
381.15186	43.7
382.15292	3.3
425.14133	100.0
426.14493	7.3
426.20905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06521	2.3
53.03939	2.6
54.69211	2.0
55.01875	3.2
55.05500	11.1
57.03431	4.0
60.20334	1.9
61.02932	4.6
64.64113	2.2
67.05495	5.7
69.03432	18.5
69.07059	2.4
71.04991	7.9
73.54399	2.1
79.05479	10.1
81.03412	7.0
81.07061	8.8
83.04972	5.3
85.02894	28.1
85.55243	2.1
91.05457	19.1
93.07040	15.9
95.04954	7.3
95.08592	6.1
97.02901	10.9
97.06541	3.2
99.04441	5.4
103.05441	2.1
105.07024	65.6
106.07381	3.2
107.08588	16.1
109.02851	2.8
109.06509	3.8
115.03910	2.4
115.05460	2.7
115.88136	2.0
117.07033	10.4
119.08572	34.7
121.06530	5.3
121.10159	4.0
125.05949	2.5
127.03928	7.3
129.05431	4.1
129.06985	7.8
130.07803	6.6
131.08574	14.1
133.10135	29.0
135.08032	3.4
135.11697	3.6
141.07045	3.8
142.07767	9.0
143.06970	2.9
143.08537	23.0
145.04932	3.4
145.06505	2.4
145.10121	38.1
147.08179	2.1
147.11679	100.0
148.11989	2.7
149.09604	2.8
151.07533	3.7
155.08562	6.6
156.09294	5.8
157.10114	38.9
159.11705	11.0
161.09604	2.4
169.10112	5.5
170.10881	5.2
171.11667	9.0
173.09610	2.3
175.11192	3.8
175.14844	6.8
177.09027	2.1
183.11678	2.9
185.09625	3.2
185.13272	22.8
187.11223	2.9
187.14854	6.1
197.13243	3.7
199.11211	3.8
199.14828	12.2
203.10655	4.9
203.14322	2.9
227.14244	4.6
237.12532	2.8
245.15375	33.5
246.15788	3.1
247.17099	5.4
263.12381	3.3
263.16431	21.2
269.15311	2.3
287.16476	4.8
389.19214	2.7
407.21115	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	425.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01859	2.9
55.05510	10.9
57.03421	6.3
58.48854	1.5
59.78397	1.6
61.02913	4.0
67.05500	5.4
68.89727	1.9
69.03428	18.0
69.07060	5.2
69.27312	6.1
69.27726	2.8
71.04976	7.6
73.02901	3.3
79.05498	10.2
81.03425	8.3
81.07052	8.5
83.04961	5.5
85.02898	28.4
87.04471	3.6
91.05465	22.9
93.07036	24.3
95.04955	5.2
95.08585	4.4
97.02899	10.6
97.06527	5.1
99.04428	6.5
105.07024	78.0
107.08585	17.9
109.02881	4.4
109.06486	4.2
109.10209	2.3
115.05453	2.3
117.07011	10.8
119.08573	43.1
121.06467	4.0
121.10133	4.6
121.86159	1.7
123.08118	2.7
125.05985	5.0
127.03877	4.8
128.06198	5.2
129.05484	2.8
129.07021	8.0
130.07773	6.6
131.08566	15.5
133.06474	2.2
133.10120	31.1
135.04460	1.8
135.08018	2.7
135.11671	5.5
139.07503	1.8
141.06963	2.8
142.07761	14.6
143.07336	2.4
143.08542	23.3
144.09305	3.5
145.04930	2.4
145.06458	2.6
145.10117	34.9
146.10742	1.7
147.08046	2.5
147.11678	100.0
148.12030	3.3
151.07489	2.8
153.07088	1.8
155.08537	7.5
156.09358	6.1
157.10106	43.8
157.11397	2.4
158.10765	2.2
159.08069	2.1
159.11703	11.7
161.09584	3.1
161.13252	2.5
167.08507	2.4
169.10065	4.1
170.10858	4.5
171.08167	2.1
171.11716	12.3
173.09633	3.3
175.11211	2.2
175.14809	4.2
177.08971	2.8
179.08499	1.6
182.10938	1.8
183.11684	6.2
185.09630	2.1
185.13235	26.3
187.11258	2.0
187.14807	9.2
189.12715	3.6
195.11743	1.9
197.09596	1.8
197.13327	4.6
199.11133	3.0
199.14815	10.5
201.16367	2.1
203.10695	2.1
203.14270	4.5
205.12201	1.8
209.13176	3.1
217.15988	2.4
223.11256	2.1
225.12666	1.8
227.14294	6.2
229.10202	1.7
230.77176	1.6
245.15353	29.2
247.16995	2.6
251.14650	1.6
251.39581	1.6
251.43097	1.6
255.13884	2.1
257.15475	1.7
263.12796	3.5
263.16397	17.8
265.67841	1.7
269.15240	2.5
287.16385	2.9
407.20343	3.9
425.20746	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	425.2169
Annotation	Scutalbin C
Peak:m/z	Relative Intensity
53.03944	8.8
55.01868	20.4
55.05501	8.2
55.21666	3.0
57.03441	19.3
65.03947	10.8
67.05499	7.2
69.03417	3.7
69.07050	4.9
69.32805	13.7
71.04996	20.4
73.06553	2.7
79.05484	10.9
81.03416	21.0
81.07062	10.9
83.04986	10.2
83.08631	4.1
85.02886	4.8
85.06535	3.5
89.40310	2.7
91.05477	9.4
93.03413	5.4
93.07072	13.5
95.04986	5.7
95.08610	12.3
97.02870	3.1
99.04458	68.7
101.02364	3.1
105.07032	35.0
106.21376	2.8
107.08598	32.3
109.02880	25.8
109.06517	10.6
109.10139	13.1
111.04456	5.4
117.07007	5.1
119.08582	30.6
121.06498	3.1
121.10142	100.0
122.10488	6.3
123.08070	11.5
123.11705	7.3
125.05994	5.7
127.03906	46.8
131.08559	10.8
133.10141	27.0
135.08011	5.6
135.11696	17.1
136.12001	3.1
137.02351	19.0
137.09637	10.2
139.07574	3.4
141.07001	2.8
143.08575	6.0
145.10127	9.6
147.08061	4.2
147.11726	6.1
149.09647	7.2
149.13286	4.4
151.07527	10.4
151.11206	5.2
151.12341	2.8
155.03387	11.5
155.06975	3.1
157.10112	6.8
159.11720	11.4
161.09583	5.4
163.07512	3.0
163.11148	6.2
169.08624	3.0
169.10133	4.6
170.10806	3.4
171.08241	2.9
171.11685	5.5
173.04483	5.6
173.09706	4.8
173.13281	12.1
175.11127	3.9
175.14847	36.4
177.12744	11.0
183.11650	5.3
185.08119	3.2
185.13234	4.9
187.11215	5.8
191.14345	13.9
192.14685	19.6
193.10181	3.3
193.15881	56.2
195.11681	5.5
196.12404	3.6
197.08095	12.7
197.13136	6.1
199.14738	3.6
201.12784	7.5
203.14282	3.1
204.15825	2.8
209.13216	8.6
211.05966	3.1
211.14825	8.4
213.12819	4.4
215.14288	8.5
221.13211	3.7
230.13002	3.2
245.15392	3.0
255.13785	6.9
265.15906	2.8
283.17032	4.4
293.15237	5.1
301.17914	9.8
311.16379	6.6
319.18918	7.4
329.17551	17.8
347.18509	56.5
348.18753	16.3
365.19568	51.1
366.19815	3.3
379.20938	2.9
407.20847	6.3
425.21771	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	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.4
57.07061	29.0
59.06252	7.4
69.73325	22.7
69.73669	14.5
71.08619	15.4
78.79041	7.1
81.07037	12.0
85.10197	7.7
89.06028	9.9
95.08636	12.3
113.00018	98.7
118.63624	8.0
124.49002	8.8
133.08659	8.6
169.02625	100.0
189.16391	8.6
205.61369	8.4
208.07237	8.3
240.15144	8.6
252.69044	7.5
257.02783	8.1
313.27298	42.0
331.89319	8.4
410.02908	8.6
425.12204	10.5
425.21375	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	13.2
67.05501	14.1
68.61964	2.6
69.03410	4.8
69.07056	13.8
69.75409	9.2
79.05479	4.2
81.03417	32.9
81.07049	7.2
83.04964	3.2
85.66936	3.0
91.05471	5.6
93.07043	8.0
95.04965	37.8
95.08596	12.2
95.53606	2.9
97.06545	16.2
99.04463	3.5
105.07012	9.8
107.08573	14.7
109.06512	13.1
109.10148	17.7
119.08564	11.8
121.06503	6.2
121.10123	11.8
123.04427	9.7
123.08070	27.1
123.11719	7.3
125.09589	6.8
131.08565	8.5
133.06516	3.3
133.10141	12.5
135.08025	14.4
135.11676	8.5
137.09677	3.9
142.07817	2.9
143.08549	7.5
144.09317	4.0
145.06435	8.4
145.10124	12.2
147.08060	4.7
147.11662	6.2
149.09637	4.9
149.13222	4.6
151.11172	22.0
155.08507	3.4
157.10144	9.3
158.10956	5.3
159.11702	4.7
161.09596	14.3
163.11212	5.5
163.14792	7.9
169.10129	3.8
171.11662	9.6
173.09601	8.2
173.13228	19.1
175.11195	9.0
179.10686	30.8
181.10104	3.2
183.11705	4.3
185.09616	5.4
187.11087	5.4
189.12793	4.5
191.14290	67.8
192.14699	3.4
197.09668	4.1
199.11153	7.3
201.09103	4.9
201.12854	4.2
203.14198	5.2
205.12239	9.2
209.15315	40.1
211.11241	6.2
213.12801	7.2
215.10751	3.2
219.13803	18.1
227.14255	5.2
231.13768	3.7
239.14285	4.5
241.15829	7.2
253.15698	4.0
257.15335	7.6
267.17422	5.4
271.16904	4.5
285.18423	10.3
287.16486	6.2
295.16864	11.8
313.17963	100.0
314.18365	6.9
331.19016	69.2
332.19452	4.9
349.20020	8.0
365.19333	5.0
373.19940	8.3
391.21118	17.1
408.23788	4.2
436.25348	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	426.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.0
67.05511	17.0
69.07057	6.4
70.06577	18.7
70.55191	8.6
71.05011	3.3
79.05502	3.0
81.03407	38.1
81.07065	8.6
83.04971	5.0
91.05453	6.5
93.07027	8.2
95.04958	83.4
95.08597	17.5
97.02894	5.5
97.06506	3.2
105.07006	18.3
107.08611	15.2
109.06509	11.3
109.10140	5.9
117.06976	4.1
119.08582	30.2
121.06512	5.7
121.10147	15.5
123.04421	11.1
123.08031	8.4
129.07019	5.9
131.08546	13.7
133.10136	35.6
135.08057	6.9
135.11687	14.9
143.08521	6.0
144.09311	12.2
145.06529	5.4
145.10123	7.7
147.11716	7.6
149.09656	5.2
150.77283	3.6
151.11125	3.6
155.07037	6.1
157.10153	11.0
159.11655	31.3
161.09653	9.3
171.07941	3.8
171.11719	7.4
171.76935	3.4
173.09558	4.1
173.13258	20.5
175.11214	8.6
175.14774	18.1
185.09592	4.4
189.12746	7.7
191.14330	23.5
193.15898	4.3
197.13234	8.0
199.11147	4.1
201.12840	7.4
225.16202	3.9
231.13942	4.2
237.12677	5.0
249.16107	4.2
257.15308	5.2
267.17242	5.5
295.16904	8.3
313.17944	66.4
331.18988	100.0
332.19397	5.2
349.16119	4.1
349.20078	12.5
381.49380	3.7
391.21152	61.1
426.75677	36.7
427.25714	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	426.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57395	5.3
57.03436	5.8
61.49749	5.2
65.12935	5.2
67.05511	6.2
69.07076	6.0
69.88670	10.2
69.89055	14.1
70.06584	28.1
79.05493	6.3
81.07051	32.5
93.07021	7.1
95.08594	13.2
97.06516	6.6
99.04451	6.4
105.06985	9.2
107.08598	14.2
109.06468	12.2
109.10138	13.7
119.08570	14.9
121.10133	8.2
127.07559	9.8
131.08575	7.5
133.10127	14.1
135.08037	7.3
135.11667	7.7
145.10100	7.4
151.11205	7.1
163.14882	5.2
173.13246	16.4
179.10696	9.1
189.12790	5.6
191.14284	49.5
209.15375	20.4
215.14368	7.5
233.15309	12.2
265.84726	5.3
273.19296	5.5
287.20093	5.9
299.19968	14.1
313.18115	6.4
317.21078	39.8
331.18948	8.0
335.22098	100.0
426.28372	14.7
426.75766	40.8
427.25714	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	426.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
57.03427	8.4
61.00052	2.2
63.23880	2.1
67.05499	5.0
69.07068	8.8
69.91946	7.4
70.06594	5.5
72.72139	2.2
77.76855	2.3
79.05489	8.8
81.03414	4.7
81.07052	32.0
81.21089	2.7
85.06542	8.2
89.68490	2.2
91.05503	4.5
93.07042	8.2
95.04963	10.1
95.08588	6.1
97.06537	6.9
99.08081	4.2
105.07043	7.3
107.08565	11.4
109.06516	9.8
109.10149	12.0
119.08567	10.7
121.06455	2.7
121.10145	11.2
123.04391	2.4
123.08040	5.7
125.09630	4.8
127.07538	5.7
129.07065	2.3
131.08580	7.6
133.10095	12.0
135.08044	5.3
135.11711	5.3
137.09637	3.1
141.88988	2.5
143.08583	3.2
145.10146	7.4
147.08038	3.4
147.11726	5.0
149.09697	4.1
149.13239	4.2
151.11195	3.9
153.12854	2.5
157.10101	4.4
159.11702	9.2
161.09612	5.6
163.14867	4.0
167.14433	2.7
171.11688	6.0
173.09567	3.1
173.13263	15.5
175.11237	4.6
175.14862	3.0
176.11938	2.7
179.10684	5.3
183.11685	2.8
185.13225	3.3
187.11200	3.1
187.14769	3.6
189.12749	9.2
191.14302	34.1
197.13170	3.3
199.14880	2.9
201.12704	3.2
201.16354	3.1
203.14250	5.5
205.35373	3.0
209.15408	9.9
211.14966	3.4
213.12683	2.5
215.14383	14.9
219.13741	3.4
229.15881	11.2
231.13835	10.2
233.15286	4.1
239.14291	6.4
239.17992	10.0
249.14813	3.3
257.15268	4.6
263.17825	3.3
271.16974	3.3
279.26251	2.4
281.18906	11.9
299.20035	29.4
305.21069	3.6
313.17911	6.0
317.21109	24.8
318.21454	3.8
331.18887	12.2
335.22134	100.0
336.22397	7.3
395.24338	11.4
426.75555	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	427.105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58779	0.6
69.82343	2.2
85.02900	1.8
101.00854	1.0
104.29841	0.5
119.01896	2.1
158.99901	1.1
166.96521	0.6
172.01518	0.5
177.00938	9.3
201.00923	2.4
217.04088	1.1
219.01997	24.8
220.02086	2.0
225.00917	3.3
242.03595	0.9
243.01971	12.3
244.02115	0.8
247.05489	0.7
261.03049	100.0
262.03201	8.0
263.03632	0.8
264.57828	0.7
266.03568	1.5
278.88196	0.6
284.00024	1.3
284.04639	16.1
284.99997	1.4
285.04776	1.2
301.00903	1.0
302.01089	1.2
302.05698	4.0
303.00928	1.2
307.06241	0.7
308.04614	4.7
326.05685	29.0
327.05878	3.6
342.56433	0.6
344.02490	1.6
344.06744	14.9
345.06873	1.6
403.17642	1.0
427.00671	0.9
445.02078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37040	3.4
91.05492	2.6
92.41885	0.8
93.07056	1.7
95.04996	0.9
103.05488	1.3
107.01054	1.0
113.31150	0.7
121.06488	4.6
123.76703	0.8
129.60875	0.7
149.05972	16.0
171.04173	7.1
183.02655	1.0
186.18756	0.8
189.05209	11.0
199.02176	1.4
201.03696	33.8
202.04105	0.9
214.94356	0.7
321.09491	1.0
349.08902	44.1
350.09177	1.9
367.09973	100.0
368.10266	4.2
427.12073	45.3
428.12305	2.2
441.94385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
57.04552	0.6
61.25525	0.2
64.94291	0.1
68.78207	0.1
69.03432	0.4
70.06578	0.2
73.02901	0.6
81.03374	0.2
85.02885	0.4
94.04049	1.6
97.02888	0.6
112.05077	0.2
115.03902	0.3
117.09103	1.0
119.03577	0.2
123.06612	1.0
127.03902	0.2
130.14655	0.2
133.05035	0.3
135.05382	0.3
138.35107	0.2
148.06146	0.2
150.07736	100.0
151.08223	1.2
151.31261	0.2
185.30511	0.2
279.03668	0.2
282.12073	0.8
295.11469	18.2
296.11710	0.5
427.19098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67213	2.3
55.01855	3.2
55.05510	15.0
61.04246	2.9
67.16631	2.8
70.67326	5.3
75.61533	3.1
83.04976	100.0
85.02901	4.9
97.39405	2.4
100.11268	2.8
102.59454	2.7
102.61519	2.4
114.09185	3.7
119.08562	7.6
132.81654	3.5
135.08086	5.8
142.08636	4.1
142.12312	5.3
147.08023	10.7
161.05975	2.7
166.29985	2.6
170.11769	3.3
189.05495	4.8
191.06989	4.5
199.04161	2.8
210.14998	3.2
211.07202	5.5
247.09631	5.1
265.10626	10.6
265.14249	3.1
312.64774	3.0
383.16928	3.2
427.15518	9.3
427.20251	3.8
427.32687	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	428.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.40282	0.9
54.61364	0.9
55.01856	3.7
57.03433	2.9
60.86426	0.9
61.02917	3.2
68.99789	2.4
69.03428	10.6
69.41979	5.9
71.04983	1.9
71.08612	1.1
73.02916	3.9
79.05494	1.9
81.03413	10.2
82.73462	0.9
83.01368	1.4
83.05018	0.9
83.50011	1.2
85.02898	37.1
87.00826	14.2
91.05461	2.3
93.07007	1.3
97.02888	13.7
98.23509	1.9
99.04456	4.7
103.03933	4.3
105.01863	11.8
105.07001	1.6
107.08583	2.4
108.04453	1.4
109.02868	10.7
114.05566	1.2
115.05457	1.7
117.01825	2.2
117.06979	2.9
121.06544	1.7
121.07526	1.2
127.03905	19.6
128.93942	1.0
129.01846	3.5
135.08043	37.1
141.03033	1.0
141.36775	1.2
145.04922	10.4
145.06027	1.0
145.06544	1.5
147.02899	1.8
148.05191	1.2
159.02904	5.8
159.08063	7.8
161.06033	1.5
163.07530	100.0
164.07903	4.2
170.15472	1.5
173.09642	1.2
175.07541	1.6
177.09042	2.2
186.06818	1.4
187.07526	23.6
189.03915	7.8
198.14857	1.7
199.07594	3.4
201.09070	4.5
203.12808	1.3
205.08572	12.8
213.09027	1.5
225.09056	2.7
227.07056	1.3
229.08580	12.7
231.04987	3.8
245.27525	1.1
248.07619	1.1
253.08597	8.8
254.08932	1.0
271.09586	8.7
351.10385	1.5
369.11462	2.1
410.29669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82541	2.1
51.50061	2.0
52.64248	1.8
53.03936	7.1
54.09677	2.0
55.01865	7.8
57.03428	15.9
57.07080	12.9
61.02915	8.4
62.18403	2.0
67.05498	4.8
68.99796	3.5
69.03425	37.1
70.06593	2.7
70.58078	4.7
71.04989	9.2
73.02913	6.4
81.03414	36.2
85.02902	100.0
85.06527	15.8
87.00825	38.5
95.04949	7.5
97.02891	32.4
99.04456	13.4
101.06030	3.7
103.07574	88.7
105.01869	46.8
109.02173	3.9
109.02878	33.0
113.06019	5.3
117.01846	2.9
127.03910	81.9
127.07563	17.1
129.01857	5.0
131.07053	4.7
145.04959	26.0
145.08618	10.6
147.02789	2.5
159.02913	12.3
163.09654	39.5
173.08075	10.9
189.03897	2.6
213.03964	3.4
229.10646	2.7
231.05011	27.3
249.05838	3.6
253.10736	5.2
331.13681	2.6
351.10770	2.8
357.11850	7.6
368.10959	2.9
375.12680	3.6
393.13483	3.4
428.13712	18.5
429.13632	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	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44653	1.4
57.03435	39.6
59.05002	1.5
61.02923	11.2
69.03425	24.9
69.39645	7.6
71.01344	2.7
71.04958	3.1
73.02917	59.7
77.49358	1.5
81.03430	2.0
85.02907	37.1
87.04443	2.3
97.02891	42.6
98.22710	3.3
99.04500	2.1
99.08091	16.1
109.02898	3.5
115.03931	40.3
117.09127	100.0
118.09416	1.6
127.03925	10.7
133.04964	13.7
145.04961	14.3
150.07684	3.7
163.06038	4.1
223.06029	3.4
241.07077	5.4
259.08090	3.2
295.10321	2.2
419.40250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.9
61.02925	3.4
69.03058	0.9
69.03424	8.0
70.94252	0.6
71.01348	1.4
71.04990	30.0
73.02917	20.5
77.49606	0.6
81.03399	1.5
81.07067	1.1
85.02911	10.7
87.04407	0.5
97.02885	13.1
97.79522	0.5
98.22691	0.6
99.08090	34.2
99.28236	0.6
115.03927	9.4
117.09126	100.0
118.09456	2.3
127.03901	3.4
133.04955	2.6
145.04968	3.1
157.73389	0.6
163.05998	0.7
204.17490	0.6
222.59767	0.7
241.07103	1.3
295.10233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38853	3.8
55.05494	5.2
55.27909	3.5
57.03434	9.7
59.72325	5.8
60.05605	3.4
67.05492	18.7
69.03430	15.9
69.07072	6.6
69.20116	4.3
69.31984	22.7
70.06590	16.0
71.04948	4.5
77.11986	4.3
79.05481	11.6
81.03412	49.2
81.07059	13.2
83.04945	8.7
91.05438	8.8
93.07047	24.5
95.04417	6.7
95.04968	67.9
95.08591	11.5
96.11730	3.6
97.02885	43.0
97.06522	10.6
98.22690	8.0
105.07040	24.3
107.08585	20.9
109.06499	13.9
109.28191	3.8
109.46345	3.8
113.06009	17.9
116.36456	3.9
117.07051	9.1
119.08569	26.8
121.06493	14.5
121.10132	42.4
123.04420	15.9
123.08071	20.5
123.11706	7.1
125.09605	5.5
129.07071	5.8
131.08530	11.0
133.10150	19.2
135.08090	10.3
135.11664	13.1
137.09576	5.4
142.07716	5.6
143.08559	11.2
144.41399	3.7
145.06512	8.4
145.10152	19.3
147.08073	9.8
149.09564	8.6
155.07040	5.9
157.10126	6.2
159.08090	8.1
159.11639	9.7
160.98434	4.3
161.06023	8.0
161.09613	10.3
163.11151	50.2
169.10149	10.6
171.08046	5.5
171.11674	15.6
173.09627	11.4
173.13269	17.5
175.11160	10.3
175.14804	17.0
177.09151	6.6
177.12785	9.2
181.10104	5.3
183.11649	8.4
185.09586	5.5
185.13255	4.7
187.11183	10.7
189.12714	6.8
191.14290	9.0
193.15828	22.2
195.11694	6.3
196.12419	4.0
197.13310	7.3
199.11206	5.5
199.14546	4.6
201.12735	9.6
203.14305	11.0
211.14709	8.3
213.12769	8.8
213.16383	6.0
215.14455	10.2
221.15407	8.1
225.12692	4.6
225.16359	7.5
227.14238	5.0
229.12183	4.8
229.15887	11.1
235.85828	4.4
241.15916	7.3
243.17332	4.9
247.16986	7.6
253.15898	7.2
255.17404	9.0
269.18887	7.0
271.16940	17.2
279.17493	10.5
289.18039	20.2
293.46341	4.5
297.18414	39.7
315.19534	79.9
316.19882	5.6
333.20572	70.7
334.20859	5.9
375.21625	100.0
376.21991	8.6
393.18109	7.0
393.22778	62.1
394.22739	5.7
410.25085	7.6
411.23627	4.4
427.75961	5.6
428.26230	7.3
429.17825	5.6
442.44925	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	428.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.1
57.03428	12.8
63.24751	2.9
67.05508	16.7
69.07057	5.4
69.82516	4.6
81.03416	33.2
81.07044	6.8
91.05467	6.5
93.07026	10.8
95.04356	3.9
95.04957	55.7
95.08599	8.6
99.08071	3.3
103.53366	3.4
105.07032	14.1
107.08639	15.1
107.09243	2.7
109.06475	5.6
109.62988	2.8
113.06002	4.3
119.08582	25.9
121.06510	5.2
121.10140	39.9
123.04406	13.8
123.08074	18.5
131.08537	9.1
133.10112	15.1
135.08054	12.3
135.11687	14.3
137.09612	5.8
143.08540	4.2
145.06476	5.8
145.10121	14.5
147.07983	3.3
147.11641	6.1
149.09612	8.9
157.10120	8.7
159.08067	4.1
159.11650	10.5
161.09598	12.8
163.11153	49.0
169.10191	3.7
170.10890	6.9
171.11671	11.9
173.09718	6.2
173.13243	21.5
175.14844	20.9
177.09090	5.7
177.12761	9.3
182.11127	3.6
183.11722	5.9
185.09605	7.3
185.13176	7.8
187.11179	4.5
189.08998	5.0
189.12741	6.0
191.14285	4.6
193.15863	18.2
195.11681	5.0
197.13280	12.0
199.11107	4.9
201.12781	9.1
203.14331	6.0
211.11220	3.8
211.14589	3.4
212.32375	3.0
213.12762	3.9
215.14233	8.3
221.15259	8.5
223.14713	3.1
225.12868	3.7
229.12186	5.1
229.15843	9.8
241.15765	7.4
255.17395	4.9
263.16660	3.4
269.18915	7.4
271.16898	5.4
279.17355	10.0
287.20187	5.0
297.18484	38.5
315.19519	100.0
316.19781	6.8
333.20541	69.0
334.20950	4.7
351.21625	26.8
375.17407	4.4
375.21664	58.4
376.21899	4.4
410.25208	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	428.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	12.5
61.81979	4.1
65.01286	5.2
67.05480	7.5
69.03419	11.8
70.03963	6.4
70.04272	7.1
71.04961	6.6
72.33436	3.6
73.94292	3.9
79.05488	9.5
81.03414	7.7
81.07035	10.0
83.04970	4.8
85.02877	10.2
86.06058	33.0
87.00846	6.1
91.05461	9.1
93.07036	7.1
95.04947	8.3
95.08624	5.6
97.02885	13.7
97.06505	6.3
103.05463	5.2
105.01852	8.3
105.07024	15.3
107.08617	4.7
109.06485	4.5
117.07010	4.9
119.08585	17.6
121.06443	8.9
121.10123	8.9
123.08032	4.8
127.03898	8.7
128.06181	5.2
129.06985	6.2
133.06401	4.2
133.10043	10.5
135.08009	6.5
136.03949	6.9
141.11868	4.1
143.08568	8.9
145.06517	5.6
145.10136	7.9
146.07239	5.4
147.08058	10.8
147.11653	6.9
149.09590	14.3
156.09290	7.8
157.10133	12.4
159.11713	4.9
160.37291	4.4
161.05994	5.4
161.09618	25.9
163.11168	19.2
163.90997	3.8
164.07065	10.7
169.10143	4.8
170.10861	4.5
171.11684	11.4
173.09567	6.6
175.07538	20.0
175.11182	19.2
181.04924	10.1
183.11751	6.3
185.09642	6.7
185.13295	4.6
189.09091	17.0
189.12738	40.3
190.12962	5.4
192.06538	16.3
195.11726	10.7
197.09593	6.1
198.10396	5.8
199.11169	22.0
209.09622	8.0
213.08926	5.2
213.12730	32.8
214.13480	39.8
215.14424	5.7
217.12196	14.0
225.09003	5.0
225.12607	6.6
231.13852	9.1
238.07130	11.0
241.12228	22.9
251.06853	5.1
251.10791	7.7
251.14349	10.7
253.12337	4.9
253.15944	4.8
261.12756	5.3
267.15695	8.8
269.11725	10.7
279.13849	27.3
283.09680	6.5
297.14932	28.2
307.13208	36.0
315.19501	8.5
325.14374	51.4
333.20612	9.4
343.15430	8.0
351.59976	4.5
388.36868	4.7
392.18512	6.4
410.19540	22.4
428.15457	5.6
428.20578	100.0
429.20828	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	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48142	1.9
65.65459	2.3
69.12672	15.8
98.23438	4.5
101.37452	2.4
159.02301	2.2
165.57191	2.2
219.04762	5.0
369.09088	31.5
429.11551	100.0
430.11804	3.8
432.48932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
70.98603	1.7
73.04748	7.2
77.64706	1.0
79.05479	1.2
82.99862	1.7
84.04538	1.4
85.02913	2.0
86.82570	1.1
86.99355	1.2
91.05836	11.0
93.07047	4.1
95.04951	4.3
101.00883	10.5
102.00945	1.1
103.05456	2.4
113.00861	4.6
115.02429	1.7
119.01922	24.7
120.02028	1.0
121.06500	37.7
122.06841	1.3
123.06836	1.0
127.02421	4.2
131.01915	15.3
131.04921	91.8
132.05252	1.7
133.03438	1.3
133.06508	3.0
134.03636	1.4
137.02982	3.5
143.01889	32.5
143.02971	2.2
144.02086	1.5
145.03453	17.6
147.01372	1.1
147.04320	1.9
149.02969	1.8
149.05971	68.9
150.06364	2.0
155.01918	2.5
155.05501	3.1
157.03438	1.6
161.02953	50.0
162.03162	1.8
163.04556	1.4
165.03922	2.1
167.05544	6.8
169.03412	2.2
171.05060	2.4
173.02969	3.6
177.02357	1.2
179.04066	1.8
179.05571	4.6
181.03461	4.8
183.01331	2.9
183.05023	8.8
185.02972	1.8
187.04543	2.0
189.03979	3.6
195.05005	2.8
197.06543	8.9
199.04582	2.6
199.08151	1.4
203.03961	17.9
203.05582	1.8
204.04105	1.9
205.03485	3.6
207.05011	27.6
208.05220	1.6
211.04614	1.2
213.06198	1.2
215.05498	2.0
219.05092	2.5
221.04996	2.9
221.06654	4.2
223.04564	5.2
224.05357	1.4
225.04370	1.3
225.06079	31.2
226.06242	3.2
231.04994	11.6
232.05225	1.5
233.06520	5.3
235.04495	1.7
237.06061	3.7
239.07616	2.8
243.07159	4.9
245.04921	2.1
249.06073	100.0
250.06268	7.7
261.06125	4.7
263.06085	3.6
267.07126	68.0
268.07449	6.3
271.06631	2.1
273.06082	3.7
279.07053	2.6
290.08566	2.5
291.07202	5.0
293.08582	1.8
303.07144	1.3
307.06689	2.0
309.08200	13.2
321.08163	1.3
333.08096	4.7
342.99680	1.7
351.09161	10.7
359.02917	7.6
360.02924	1.7
369.10242	5.6
387.11404	9.2
429.12567	26.2
430.12552	1.8
434.67416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05503	0.6
57.03450	0.5
58.99859	0.5
63.87589	0.4
69.03423	1.4
70.55003	1.0
74.62026	0.4
77.03899	0.4
79.05479	0.5
81.03410	6.7
82.99844	2.0
83.46075	0.4
85.02888	1.3
86.99292	0.5
91.05457	2.8
93.07042	4.4
95.04976	3.0
101.00877	22.0
102.01041	0.4
103.05469	1.1
105.07033	0.6
106.81274	0.4
111.08106	0.7
111.88902	0.5
113.00883	1.2
119.01914	27.6
119.04919	0.5
120.02010	1.1
121.06502	4.1
131.01895	3.5
131.04927	2.2
137.02979	2.4
143.01891	52.4
144.02000	2.4
145.03491	1.0
147.04376	0.8
149.05963	3.4
152.33189	0.5
155.01884	2.0
157.03423	0.9
161.02950	100.0
162.03087	4.5
167.07050	0.8
173.02937	2.1
175.04480	0.9
177.05408	0.8
179.04016	1.7
179.05507	0.6
183.05069	0.5
184.04575	1.0
185.02921	1.0
187.04381	0.6
189.07440	0.4
191.04050	0.6
197.06619	1.4
203.03998	43.6
204.04173	2.7
207.05020	2.5
221.04985	5.4
223.04465	0.7
225.06073	1.4
226.91139	0.4
231.05116	1.2
239.07858	0.7
243.02075	0.8
245.05093	1.9
249.06088	5.7
249.08406	0.8
249.89018	0.5
255.01892	0.5
263.06140	6.3
264.06342	0.8
267.07141	6.6
268.07324	0.7
309.08069	1.2
323.09872	0.7
327.09229	1.6
394.14450	0.4
429.12424	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	429.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03244	1.0
52.37411	1.0
61.34259	0.9
69.47919	3.4
75.42997	1.0
82.30348	1.2
85.29902	1.0
91.05480	2.2
93.07019	1.6
100.44807	1.0
121.06537	4.3
149.05956	7.6
171.04199	3.5
172.86282	1.0
183.43718	0.9
185.04228	6.2
189.05165	7.0
201.03751	2.9
203.05254	44.6
204.05544	1.1
257.95493	0.9
323.11020	3.0
351.10474	58.9
352.10770	3.3
369.11548	100.0
370.11798	5.6
429.13657	59.7
430.13995	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	429.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79203	0.4
54.26348	0.5
56.54917	0.5
62.20939	0.5
64.43934	0.5
69.65544	1.9
73.04742	2.0
75.61312	0.4
81.03418	0.7
91.05798	3.6
98.97585	0.7
101.00904	0.8
118.66823	0.5
119.01929	1.6
121.06508	2.8
131.01927	1.5
131.04924	5.8
137.93167	0.6
143.01909	1.6
145.03479	1.5
149.05971	5.3
161.02902	3.4
167.05548	1.8
182.11847	0.6
183.05025	0.9
203.03775	0.6
203.05339	1.5
207.05023	1.9
225.06233	2.5
231.05052	0.5
233.06812	0.5
249.05943	5.4
267.07022	4.2
279.07214	0.5
290.85059	0.5
296.53479	0.5
309.08154	0.9
359.02802	1.6
369.11301	1.0
429.13644	100.0
430.13931	5.9
446.64700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42066	1.0
63.44191	1.0
70.71379	1.3
73.04744	1.9
74.93895	1.0
123.08073	5.7
139.17456	0.9
149.06004	1.3
151.07565	5.7
167.05579	1.2
171.56482	1.3
189.05255	1.0
191.06786	3.6
201.03723	3.7
203.05304	5.8
219.04738	27.7
263.46594	1.1
278.84641	1.0
327.82648	1.1
328.47482	1.0
351.10507	10.8
359.03134	1.4
369.11606	100.0
370.11990	5.3
429.13693	46.3
430.14047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17729	11.6
76.67650	10.3
98.97585	17.4
114.66256	11.1
148.72141	10.8
208.70088	12.5
241.31236	11.2
279.69437	13.0
429.16626	100.0
452.19345	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	429.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09838	0.6
57.10678	0.5
58.90926	0.5
62.29955	0.5
70.06577	0.6
78.45499	0.6
91.05786	0.8
117.06990	0.6
122.93021	0.5
143.03194	0.8
159.74979	0.6
164.14963	0.5
166.23759	0.5
167.05634	0.6
172.38676	0.6
173.14160	0.5
203.05229	7.1
205.12013	1.0
249.10915	1.6
267.12015	13.5
268.12415	0.6
351.10565	1.2
369.11713	2.0
428.53436	0.7
429.17303	100.0
430.17578	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	429.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14763	0.4
55.68264	0.4
56.85440	0.4
63.64980	0.4
64.28484	0.4
69.42585	1.9
83.81127	0.4
120.93220	0.4
138.98331	0.4
141.12724	0.8
144.83119	0.4
151.39984	0.4
179.47209	0.4
181.11971	3.4
185.04227	0.6
203.05315	0.7
227.05286	0.9
271.04282	0.9
284.59402	0.3
289.04996	0.5
325.16101	0.7
343.17206	11.9
344.17795	0.4
351.10678	0.9
359.02927	0.5
367.17368	0.9
369.11539	1.7
385.18271	46.6
386.18509	2.1
415.86139	0.5
429.17273	100.0
430.17581	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62014	0.8
66.45731	0.8
69.07065	21.0
73.04748	1.3
86.09699	33.8
97.06515	2.7
98.22637	2.0
102.67621	0.8
109.44405	0.9
115.05458	1.0
117.05753	2.4
128.09766	1.3
128.10712	18.7
130.06520	26.6
131.30287	0.9
142.06522	2.8
155.06049	2.4
156.06747	1.2
156.08081	0.9
156.10245	2.7
157.07602	100.0
157.61368	1.0
158.06020	2.0
158.07935	2.7
159.09187	3.3
167.06061	1.1
169.07625	1.2
183.09174	1.7
185.07083	63.9
186.07439	1.9
197.06984	1.6
198.12784	3.7
208.11205	1.7
211.12355	2.8
213.06679	1.0
225.10219	8.2
239.11784	20.9
241.08380	1.0
253.13322	2.4
274.11823	17.3
281.12808	29.5
282.13110	1.2
298.15475	18.1
299.15848	1.6
312.17230	1.0
322.87527	1.0
340.16544	36.7
341.16663	2.0
351.10452	1.4
396.26868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.8
70.06582	3.0
79.05480	2.5
81.07035	2.6
87.07982	2.2
93.07042	2.1
95.08600	1.1
97.72231	1.0
105.07015	1.9
107.08578	2.3
109.34638	1.0
113.00004	4.9
130.09720	3.0
153.05212	100.0
154.05539	1.3
158.09279	1.5
169.02599	2.2
220.06084	1.8
290.19785	1.0
290.72760	1.0
299.19800	15.6
383.79169	1.1
429.17493	3.7
429.26041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17540	0.4
56.53959	0.4
59.04874	1.0
59.10965	0.4
60.05651	1.3
60.80633	0.4
64.36792	0.5
67.05499	0.5
69.17036	2.9
70.06595	5.4
71.04986	0.5
80.25195	0.4
81.07021	0.6
86.07198	1.2
87.07973	1.5
88.07614	0.5
88.72923	0.4
93.07039	0.4
94.73907	0.4
94.92393	0.5
95.63200	0.4
116.07088	1.0
119.08600	0.6
130.09778	3.1
136.72740	0.4
158.09193	2.8
193.04840	0.5
216.94502	0.4
220.06056	1.5
247.19022	0.4
290.40985	0.4
298.98422	0.5
309.22009	0.8
321.74286	0.5
324.12286	2.4
369.23935	5.1
370.13028	0.8
381.20245	0.6
429.18063	4.4
429.26114	100.0
430.17972	0.7
430.20273	0.6
430.26447	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01867	11.7
55.05499	0.8
57.03437	7.5
60.04517	1.8
60.14892	0.7
61.02918	6.7
68.99786	4.1
69.03423	36.2
71.01344	1.0
71.04990	5.2
73.02910	10.3
78.16982	0.7
80.04984	0.7
81.03411	36.8
83.01324	2.0
85.02898	100.0
86.03194	0.9
87.00822	38.7
87.04475	1.1
91.03949	3.2
93.85486	0.6
97.02886	39.7
98.06034	1.1
99.04447	19.3
103.03927	1.1
103.05444	1.0
105.01153	1.5
105.01859	31.5
108.04470	11.4
109.02874	35.8
115.03962	1.6
117.01854	5.2
123.00665	0.7
126.05525	6.0
127.03905	75.4
128.04262	1.1
129.01826	4.3
137.05965	3.1
144.06516	0.8
145.04942	40.9
147.02834	5.0
159.02870	28.8
161.06067	0.9
165.09129	2.0
171.02965	0.8
177.03911	2.2
189.04002	1.4
189.09103	3.9
207.09973	0.9
213.03954	3.7
215.32785	0.8
220.08716	0.7
230.06618	2.6
231.04994	14.6
231.10223	2.1
248.07559	4.3
249.06000	1.0
255.10109	1.8
273.11203	1.7
286.53958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01867	1.4
57.03434	5.3
57.10007	0.7
58.69017	0.7
60.32087	0.7
61.02926	9.0
69.03431	15.4
70.06587	1.7
71.01352	1.1
71.04987	2.2
72.08144	2.0
73.02893	3.6
74.06070	1.2
81.03416	7.2
84.08103	0.7
85.02901	100.0
86.03195	1.8
86.09710	6.5
87.04467	2.2
87.05575	1.1
91.03955	5.3
97.02888	22.8
98.97601	1.2
99.04452	4.4
101.02354	0.9
103.03919	0.8
107.22413	0.7
109.02867	7.9
115.03929	0.8
127.03909	25.7
145.04955	55.7
147.07678	1.2
157.53207	0.9
163.06007	25.5
228.09898	1.2
251.14847	1.5
266.96994	0.8
325.11249	1.0
350.06622	0.7
430.15543	3.2
431.14676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05972	2.2
53.03955	2.5
55.01851	5.8
55.05507	7.7
57.03447	15.7
57.77160	2.3
67.05507	5.5
69.03423	7.5
69.07068	8.6
70.06577	7.4
71.04982	3.9
71.43342	2.6
75.04519	3.1
79.05489	9.5
81.03405	3.3
81.07050	11.1
83.04971	8.1
85.02888	7.1
87.04475	4.2
91.05430	6.5
93.07030	8.0
95.04956	9.1
95.08615	8.4
97.02908	4.2
97.06512	14.2
99.04453	5.7
101.02410	2.4
105.07011	21.3
107.08584	13.3
109.02870	3.9
109.06494	19.5
109.10153	7.8
110.06752	3.0
111.04440	4.3
111.08064	5.8
117.07025	3.2
119.08574	15.4
121.02887	2.8
121.06486	9.2
121.10154	13.9
123.08067	8.5
125.05975	6.6
125.09618	6.1
127.03918	8.3
129.07011	3.5
130.09775	3.1
131.08569	8.3
133.06516	2.7
133.10120	19.9
135.08051	8.6
135.11723	4.3
137.09601	6.9
139.07567	3.7
141.06950	3.1
143.08566	9.1
145.10129	12.4
147.08037	8.4
147.11681	14.4
149.09630	8.3
149.13293	3.6
151.11160	9.6
156.09383	2.5
157.10101	8.8
159.08084	4.6
159.11655	16.2
161.09610	39.6
161.13269	3.0
163.11169	6.9
165.09148	2.9
165.12775	3.5
169.10173	5.1
169.93497	3.0
170.10898	4.4
171.08154	3.3
171.11668	12.1
173.09656	11.1
173.13251	6.8
175.07570	3.5
175.11122	13.7
177.12688	5.1
179.10648	12.5
181.04991	3.3
181.10066	3.4
183.11700	3.7
185.09593	4.8
185.13234	10.7
187.11205	12.9
189.12683	9.1
191.10521	2.7
191.14272	11.5
192.92940	2.9
193.12267	2.6
195.11807	3.7
197.09676	2.9
197.13254	6.1
199.14771	5.0
201.12746	5.0
203.14253	4.6
205.12231	10.5
211.14813	4.4
213.12814	7.3
215.10725	4.9
215.14380	5.1
217.12161	4.8
219.13757	4.6
223.13309	5.2
225.12880	2.4
225.16414	4.1
227.10548	2.5
229.15851	5.0
231.13878	3.1
233.11725	6.3
235.13243	9.4
239.14087	5.5
243.13756	4.1
243.17406	4.0
245.15408	5.4
257.15280	7.3
263.16415	25.2
271.05972	3.2
271.16724	5.7
275.16467	3.4
285.14825	4.1
289.17944	24.7
299.16354	6.5
303.15900	7.4
317.17505	40.6
318.17755	4.2
321.16876	8.5
325.12543	3.9
327.15845	4.3
335.18448	25.7
336.19000	2.8
345.16754	11.1
363.17957	100.0
364.18332	6.3
377.19504	12.3
381.19092	30.9
387.16345	3.2
391.86099	2.6
395.20728	11.1
412.20856	3.4
430.17703	5.7
431.15051	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.0
55.05508	8.1
57.03426	9.7
60.59275	3.7
67.05492	7.2
69.03431	7.1
69.66927	8.3
69.67313	7.6
71.04995	7.9
74.25193	3.6
76.17650	4.2
79.05479	7.1
81.03413	5.6
81.07068	20.9
83.04993	6.4
85.02899	14.1
93.07043	9.8
95.05000	5.4
95.08593	13.6
97.06518	4.4
99.04436	12.2
105.07023	15.0
107.08591	11.9
109.02919	6.3
109.10144	18.9
117.07011	5.9
119.08578	11.5
121.10079	8.1
123.08051	5.8
123.11707	12.9
126.36732	3.9
127.03940	12.6
131.08586	9.3
133.10127	17.9
135.08029	11.9
137.06009	6.5
137.09573	5.3
143.08530	8.4
145.10081	8.8
147.11711	6.4
149.09509	4.4
151.11180	12.1
157.10104	9.1
159.08170	4.8
159.11678	9.9
161.09624	55.1
169.10223	5.7
171.11685	10.3
173.09596	10.5
173.13315	8.6
175.11174	12.8
179.10686	15.0
181.04898	8.1
185.13216	9.1
187.11127	8.7
189.09100	6.9
189.12752	9.3
191.14311	11.3
197.13263	6.0
199.11212	5.2
207.13866	5.3
212.58817	4.3
213.12747	10.1
217.12224	6.1
219.13795	8.8
225.12566	5.4
235.13373	10.2
239.14178	8.2
243.13969	5.1
247.13350	6.2
263.16370	6.7
285.14835	9.3
303.15952	32.8
321.16946	100.0
322.16943	4.8
335.18988	5.1
345.16937	18.4
363.17990	32.7
377.19379	4.5
381.19058	15.9
395.20490	5.9
412.21179	9.6
430.17361	7.7
431.13400	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	431.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01202	1.7
68.80875	1.7
69.03407	2.1
69.69478	5.5
70.06588	1.9
85.02901	4.6
86.09694	4.1
127.03950	2.0
129.45370	1.7
129.99034	1.4
133.36668	1.7
219.02612	5.0
320.29651	1.8
361.03049	1.8
371.11008	51.1
372.11261	3.0
387.16214	3.6
431.13135	100.0
432.13553	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1317
Annotation	8-C-Rhamnosylgenkwanin
Peak:m/z	Relative Intensity
52.70192	1.7
53.35031	1.7
55.05498	3.0
69.07039	2.2
71.42130	2.2
73.81943	2.1
81.03428	2.8
81.07060	2.4
86.06052	2.6
98.97567	6.7
104.45233	1.8
109.98215	1.9
112.83865	1.7
116.98611	4.2
132.06503	5.3
148.26772	2.0
160.08379	3.4
173.01256	2.6
177.00761	2.1
219.01802	2.3
270.17029	3.5
359.72589	2.6
387.14124	13.6
388.14523	2.0
431.13120	100.0
432.13562	4.6
432.25900	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	431.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04565	0.5
67.05496	1.1
69.03441	0.8
71.12013	0.5
79.05489	1.9
81.03408	0.7
81.07028	1.9
82.99857	1.3
83.04964	2.0
85.02894	1.1
89.85031	0.5
91.05782	1.6
93.07008	0.6
95.08623	3.9
101.00869	10.5
102.25209	0.6
105.07027	1.1
109.02898	3.2
109.03535	0.6
109.06498	1.1
119.01917	26.3
120.02000	1.4
123.08053	2.3
131.01920	2.8
131.87006	0.6
133.06503	2.5
137.02934	3.1
141.03978	2.6
143.01894	40.9
144.02036	1.3
145.03432	0.6
151.07536	1.9
155.01889	1.2
159.05031	10.8
160.05176	0.7
161.02954	100.0
162.03078	4.3
165.04007	0.8
169.03481	3.6
169.04771	0.5
173.02962	2.1
179.04019	2.1
183.05051	4.3
183.06497	1.2
184.04602	1.6
185.02979	1.0
193.03432	8.3
194.03625	0.9
201.06102	0.9
203.04004	52.3
204.04198	2.9
207.05029	1.1
209.06543	1.8
211.04524	16.3
212.04736	1.0
221.05020	6.0
223.08252	0.7
225.06030	1.8
229.05579	1.6
233.06668	2.6
251.07648	26.2
252.07883	1.5
263.06110	22.4
264.06522	0.9
269.08716	11.0
270.09079	0.9
283.08890	0.6
287.06107	1.0
295.06741	0.7
311.09778	4.4
329.10629	0.6
361.02557	1.3
389.12881	1.5
431.14136	7.3
432.14005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55573	0.4
69.03419	0.6
70.06599	0.8
70.82876	0.7
70.88132	0.5
79.05491	0.7
81.03395	0.7
81.07043	1.0
82.99859	1.9
83.04936	0.8
84.08128	0.7
93.07045	0.6
95.05011	0.7
95.08591	1.5
98.97584	0.6
98.98453	0.7
101.00871	14.9
101.01550	0.8
105.07021	1.0
109.02856	1.5
119.01913	22.5
120.02010	0.9
121.01630	1.1
121.06475	0.6
123.08039	0.7
131.01892	2.5
131.04903	0.6
133.06511	1.2
136.06139	3.2
137.02931	1.7
137.06534	0.8
141.04013	0.9
143.01889	45.7
144.02028	2.0
144.10188	0.7
145.01678	0.9
145.02751	1.0
151.07484	0.8
155.01828	0.6
159.05022	5.1
161.02946	100.0
162.03125	5.2
163.02733	2.3
169.03441	2.4
173.02997	1.4
177.05457	1.4
179.04005	2.1
183.05008	2.4
184.04491	1.1
185.02943	0.8
191.04010	1.2
193.03444	5.2
203.04001	56.3
204.04196	3.0
205.03708	1.0
209.06528	1.2
211.04491	8.3
221.05020	5.7
223.04674	0.7
225.06149	0.7
229.05618	1.2
233.06668	0.8
251.07677	13.9
252.07855	0.8
263.06113	25.7
264.06302	1.8
265.05954	0.6
267.36563	0.6
269.08728	5.9
270.08887	0.6
287.06000	0.7
311.09668	1.9
313.07394	0.6
331.13129	0.6
371.11813	0.5
389.12735	1.0
431.13907	3.2
432.14648	0.7
450.09647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71310	0.6
69.58710	1.4
70.06582	1.8
72.08145	5.2
77.58607	0.5
81.41115	0.5
84.04534	0.7
84.08129	2.2
85.02923	0.7
86.09692	7.4
91.05817	0.7
92.13049	0.5
116.07119	0.5
129.10251	1.7
171.11415	0.8
183.09900	4.9
185.16496	1.3
211.09341	1.1
213.16008	1.4
261.14673	0.6
289.05252	1.9
318.97543	0.5
345.15198	12.1
345.19202	1.1
369.15265	0.9
380.71826	0.5
387.16214	41.3
388.16626	2.3
413.14322	1.2
431.15186	100.0
432.15457	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	431.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96085	0.5
69.21959	3.2
70.06587	0.7
114.92007	0.5
201.08981	0.5
269.11478	15.9
274.91409	0.5
303.09637	0.5
431.16763	100.0
432.17148	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	431.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	1.1
71.92726	1.1
72.58869	1.1
98.97622	1.8
142.26564	1.2
196.28090	1.3
209.32527	1.5
213.31761	1.3
274.14154	1.2
431.18274	100.0
432.18600	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	431.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
73.62569	1.4
93.54983	1.3
98.97607	1.6
218.19911	1.3
227.05899	1.7
240.63202	1.7
274.76288	1.4
279.60687	1.4
413.16367	3.3
431.18262	100.0
432.18555	7.5
449.18854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88879	4.7
56.96553	9.9
69.91113	8.7
72.97794	3.4
98.97595	15.3
116.98640	10.1
127.70702	3.5
134.99655	6.5
199.06113	3.6
209.04866	19.8
227.05936	22.1
239.05992	4.8
271.20020	3.5
297.17752	4.3
309.37076	4.7
315.12677	8.0
333.13495	5.8
371.16302	27.0
413.16385	33.4
431.17993	100.0
432.18060	5.4
449.17825	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	431.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15705	1.6
65.18903	1.8
70.05694	3.0
70.06060	3.4
80.68219	1.6
81.03411	2.0
81.07034	1.5
95.04966	2.0
119.08607	1.6
148.08316	1.7
207.09961	2.0
247.09276	3.3
371.18301	100.0
372.18668	4.7
413.18829	2.4
431.19324	57.3
432.19803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88408	1.8
67.05513	2.6
71.31338	1.9
71.44211	3.1
71.88836	2.0
72.77383	2.1
76.40303	2.4
81.07057	2.9
93.07014	2.7
105.07024	2.7
107.08532	2.5
120.28540	2.6
121.59518	2.6
133.10097	3.1
164.87358	2.5
200.28658	2.0
210.35956	2.0
230.15414	2.3
250.40091	2.2
256.56177	2.2
353.17209	3.8
413.18936	8.6
431.18256	100.0
432.18430	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	431.1833
Annotation	2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
69.88322	4.2
69.88641	6.7
81.07056	3.7
107.31062	2.5
133.10104	5.3
195.48190	3.3
232.11372	2.8
328.26688	3.1
413.19263	10.0
431.18201	100.0
431.26120	5.4
432.18741	6.3
443.59253	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61851	5.1
56.81180	4.5
59.58796	4.2
67.05517	7.0
69.03425	7.8
69.07057	12.4
70.09779	13.8
71.04976	5.9
79.05495	21.2
79.90769	4.6
81.03498	4.6
81.07074	12.1
82.87696	4.9
83.04990	18.7
85.02908	6.7
90.77166	5.3
91.05492	15.8
93.07043	26.2
95.04985	15.0
95.08636	8.6
97.06534	20.6
99.04478	6.7
105.07040	36.8
107.04971	20.6
107.08582	18.9
109.06498	8.1
112.35973	5.8
112.72868	5.3
117.06947	8.3
118.83623	5.0
119.08566	6.9
121.06499	17.5
125.06000	20.5
131.08549	6.4
133.10115	6.4
135.11699	6.2
137.06003	7.8
139.07530	5.6
143.07051	19.4
143.08571	5.5
145.10120	40.9
147.11778	5.9
151.07564	6.1
159.08009	5.6
159.11722	9.0
163.11180	100.0
165.09189	5.1
169.10182	6.0
173.09604	33.3
187.11166	22.0
191.10637	24.5
202.83124	4.7
205.12238	15.1
215.10698	17.6
218.51042	5.4
233.11714	45.0
233.96991	5.1
251.12749	5.5
358.18848	5.5
387.16141	11.5
387.20358	5.7
431.14539	22.1
431.19870	41.5
438.71570	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	431.2042
Annotation	Phe Gln His
Peak:m/z	Relative Intensity
69.03410	0.5
69.08324	1.6
69.08731	0.6
70.06599	1.0
70.08746	0.3
73.19005	0.3
81.03409	0.4
95.04951	0.3
98.22680	0.5
105.07043	0.5
110.71235	0.3
121.79826	0.3
159.11639	0.3
159.71956	0.3
167.36220	0.4
173.13243	0.3
198.05862	0.4
245.11739	0.7
290.46628	0.4
301.64178	0.3
308.85684	0.3
371.18359	4.2
431.20416	100.0
432.20670	8.7
432.26096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26787	1.1
60.87573	1.2
62.40853	1.3
68.48829	1.1
69.44505	5.5
95.08598	1.6
100.55025	1.1
111.40253	1.2
119.08571	2.0
149.02390	1.8
150.02667	2.4
191.14372	1.5
353.17270	11.4
371.18546	2.4
413.19324	66.4
414.19937	3.6
431.12631	3.3
431.20490	100.0
431.30627	3.4
432.20764	6.9
449.21606	1.5
454.22098	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01867	26.9
55.05508	4.9
56.43879	1.4
57.03428	3.3
61.01144	2.3
65.18127	1.5
68.05022	2.6
69.03429	6.4
69.07064	36.7
69.78400	1.8
69.78728	3.8
70.06589	4.7
71.04978	4.6
73.01131	5.0
73.02895	3.8
79.05482	5.3
79.34460	1.4
80.05019	3.3
81.03400	3.9
81.07037	3.6
82.06580	4.1
83.04974	5.4
84.04507	7.0
85.01090	1.7
85.02892	12.0
85.38491	1.5
86.06061	37.2
86.99041	5.0
87.02686	6.8
91.02156	3.8
91.05482	7.1
93.07042	10.3
95.08597	2.3
96.04498	7.0
97.02888	4.2
97.06530	5.1
97.10149	1.8
98.00679	1.7
99.04443	14.2
102.04070	1.8
105.07072	1.9
110.06043	15.3
111.11690	2.0
112.02158	8.5
114.03770	3.5
114.05559	3.3
115.02136	25.8
117.07034	7.0
119.04984	1.7
119.08578	11.1
121.06491	2.8
121.10174	4.4
127.03925	2.1
132.06557	100.0
135.04407	3.2
135.08055	6.3
139.11166	26.8
140.01651	19.1
142.03189	13.1
145.04927	2.4
145.06538	2.3
147.08034	5.4
149.09604	32.5
154.03232	2.4
154.04965	10.1
156.06561	2.0
158.02710	3.8
159.08084	6.9
161.02664	2.1
163.07489	1.8
170.06325	3.2
173.06012	2.2
175.07553	11.3
180.04819	3.0
184.08832	2.4
186.02145	14.6
187.07556	1.9
188.03740	3.5
188.08356	3.9
189.09070	25.0
198.05812	38.3
199.11183	7.8
200.88765	1.7
212.08376	7.8
213.09018	2.1
224.16571	3.2
227.10645	26.8
244.06378	6.9
245.11705	91.2
246.12079	4.1
248.11311	2.6
270.16974	58.8
270.19867	3.5
279.10626	9.0
294.11810	9.0
432.14835	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	432.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23069	1.2
52.31855	1.2
53.03943	1.6
55.01863	5.2
65.03927	1.2
67.05492	1.8
69.03419	3.0
79.05491	12.6
81.07043	2.9
82.06582	1.9
83.04970	4.5
84.04501	1.6
85.02863	1.4
86.38102	1.1
91.05456	8.9
93.07043	4.5
95.04981	5.9
96.04493	1.9
105.07019	3.4
107.04930	2.6
107.08591	16.4
109.02872	62.9
109.06525	7.9
110.06021	5.9
111.04443	31.6
112.14526	1.0
115.05432	4.0
117.05497	1.8
117.07012	16.4
121.06503	6.6
128.06223	1.5
129.06966	1.5
135.08038	41.6
137.05959	8.4
140.01663	1.9
142.03183	5.7
142.04929	1.6
143.08514	3.8
145.06461	2.8
149.06000	1.5
154.04961	1.7
156.09386	1.7
157.09976	1.2
158.02718	5.3
163.07533	96.6
164.07854	2.9
166.07747	1.8
171.11647	2.8
181.10097	1.2
184.08833	2.2
185.09523	1.4
186.02251	4.0
188.03806	3.4
189.09061	2.6
198.05846	1.7
199.11183	7.1
209.09669	2.9
212.08319	3.6
213.09122	2.9
227.10654	36.7
227.12794	2.4
228.11185	2.7
244.06450	2.5
245.11725	100.0
246.12056	5.3
261.09387	2.7
414.13297	1.7
432.17068	32.7
432.69772	1.6
433.17871	2.2
442.19400	1.2
444.08398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	0.6
55.01870	1.5
57.03434	27.2
59.04953	0.8
61.02921	7.3
62.71748	0.6
69.03424	19.8
71.01339	2.6
71.42689	0.6
73.02911	57.8
76.41170	0.6
77.09510	0.7
79.05479	1.2
81.03418	0.7
81.31798	0.6
85.02895	20.2
85.03414	1.0
87.00842	0.9
87.04462	2.3
90.92348	0.7
91.05484	0.8
95.04953	1.3
96.04481	1.3
97.02885	100.0
98.03214	1.5
101.02348	1.5
105.07021	30.8
106.07356	1.1
109.02872	0.8
113.02366	2.2
115.03922	34.2
116.04226	0.7
119.08562	1.4
120.63834	0.7
125.02332	1.3
127.03905	1.3
129.06992	2.0
132.06543	2.8
133.04947	5.3
133.06465	12.4
133.79811	0.7
139.03824	0.8
143.03392	4.2
147.08038	1.0
150.07617	7.2
151.78358	0.8
161.04440	20.3
193.04965	0.9
201.09128	3.8
211.06036	1.1
219.10175	1.2
300.14462	1.8
335.48907	0.7
432.18262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.4
54.79315	3.1
55.01866	8.7
57.03450	5.3
61.02909	7.3
61.78701	3.3
68.99777	7.0
69.03421	35.6
69.82497	7.3
69.82878	6.6
71.04989	5.7
73.02901	10.6
81.03405	27.0
85.02405	5.9
85.02898	86.4
87.00822	39.9
87.30223	3.7
93.07018	3.4
95.05000	3.9
95.08613	5.4
97.02887	69.5
99.04438	15.3
105.01860	43.6
105.07059	4.3
108.04461	7.4
109.02875	31.3
115.76069	3.3
117.01852	6.0
121.10115	8.4
127.03902	67.5
145.04953	42.9
149.09538	4.1
159.02873	23.5
167.10687	4.3
180.46074	3.2
213.03917	4.1
231.04991	14.9
280.36768	4.2
373.19791	6.3
432.20676	7.0
433.21933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	26.4
55.05504	5.6
57.03428	2.0
58.06602	1.7
58.99588	1.4
61.02908	1.3
66.10832	0.8
67.05502	2.7
68.05021	3.1
69.03416	5.9
69.07060	34.0
70.06576	3.8
70.45857	1.5
71.04981	3.3
73.01134	1.9
73.02908	3.8
74.39590	1.1
74.40010	0.8
79.05486	4.3
80.05006	4.2
81.03400	3.0
81.07054	3.3
82.06573	3.8
83.04986	5.7
84.04500	4.6
85.01160	1.2
85.02895	10.3
86.06060	41.4
86.99054	1.8
87.02690	7.3
89.00629	1.4
91.02184	1.5
91.05460	3.2
93.07043	8.2
95.08603	3.1
96.04480	4.9
97.01095	1.0
97.02917	4.7
97.06530	3.9
98.00651	1.3
98.06060	1.4
99.04453	13.4
99.06342	1.2
105.07001	1.2
108.04473	2.0
110.06033	12.0
111.11731	3.5
112.02186	8.0
114.03749	3.0
114.05515	2.6
115.02143	14.5
115.05433	1.5
117.07017	3.0
119.08568	5.4
121.10146	4.0
124.76782	0.9
126.05486	1.3
127.03930	2.0
128.07048	1.2
129.07031	1.1
132.06551	100.0
133.06766	1.4
135.04449	2.0
135.08051	6.4
136.07614	1.0
139.11177	28.5
140.01634	17.1
140.03383	1.1
142.03195	10.5
145.04985	1.9
145.06493	1.8
147.08034	3.1
149.09598	9.5
152.05316	1.5
154.03192	1.4
154.04987	7.7
156.06651	1.1
158.02705	2.2
159.08046	6.7
160.08846	2.6
161.02641	2.1
161.05933	1.4
163.07495	1.4
170.06367	2.2
171.08034	0.9
173.05988	2.1
174.07721	1.1
175.07530	9.4
180.04785	3.0
183.08026	1.1
186.02185	15.1
187.07507	2.3
188.03758	2.7
188.08333	4.0
189.09088	20.4
198.05818	27.6
199.11195	6.8
212.08308	7.6
213.09004	1.8
224.16464	3.0
226.05209	1.6
227.10626	20.4
243.10139	1.9
244.06354	5.6
245.11707	73.0
246.12068	4.3
246.24907	0.9
248.11240	1.6
252.15988	1.4
270.16968	59.5
271.17331	2.1
279.10507	4.8
294.11838	9.8
327.53387	0.9
386.21323	2.1
432.14636	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	432.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40698	1.1
55.01874	6.5
55.05508	3.4
57.03435	11.1
65.03935	1.1
67.05501	4.5
69.03429	9.2
69.07068	3.7
70.06593	9.1
70.67629	2.4
71.04996	1.5
79.05496	5.7
80.05003	1.7
81.03401	2.2
81.07053	5.1
82.02935	3.1
82.06587	3.2
84.08092	1.2
86.06065	30.1
87.04472	8.3
91.05489	7.2
93.03413	3.5
93.07037	7.1
94.06574	1.8
95.04964	3.7
95.08620	3.5
96.04492	5.0
96.08142	1.6
97.06535	1.5
98.06052	43.1
105.07033	12.9
107.04974	1.7
107.08580	6.0
108.04466	5.1
108.08140	8.9
109.06512	4.5
109.10143	3.2
110.06031	12.7
110.88132	1.3
111.08074	1.5
112.07619	4.1
117.07017	3.6
119.08596	13.2
121.06512	3.5
121.10136	2.8
122.06083	2.6
122.09676	2.9
123.08061	3.5
124.07590	8.9
128.06236	3.1
129.07016	5.2
130.07690	1.6
131.08571	9.7
133.06512	3.3
133.10114	8.6
135.08023	6.1
135.11719	2.9
136.07576	30.1
137.09624	3.5
138.05476	3.1
138.09178	1.5
141.06870	2.6
142.07770	3.5
143.08572	8.5
145.06564	2.2
145.10114	7.9
147.08061	8.4
147.11697	8.7
149.05972	2.1
149.09607	4.6
150.05545	1.7
150.09142	25.9
151.07530	2.2
152.07077	12.6
155.08575	4.3
156.09302	6.4
157.10121	7.3
158.07318	1.3
159.08044	7.3
159.11707	10.6
160.08804	3.0
161.09608	11.7
161.13222	6.0
163.07523	2.6
163.11186	3.2
164.07051	36.6
165.07121	3.0
167.08569	3.8
167.14531	1.3
168.06575	2.2
169.10158	5.2
170.10901	3.3
171.08139	1.7
171.11679	14.4
172.08763	1.5
173.09633	6.7
173.13255	2.4
174.10440	1.7
175.07576	5.2
175.11154	8.6
177.09119	4.0
177.12726	1.6
178.08673	8.6
178.12250	1.5
179.08559	3.3
179.10670	2.4
180.09322	1.9
181.10147	4.5
182.08142	9.1
183.08157	1.8
183.11586	7.1
184.12549	2.7
185.09639	6.4
185.13231	9.7
185.53075	1.4
186.10376	1.5
187.07529	2.3
187.11183	7.7
189.12758	11.5
191.14201	2.0
193.10042	2.0
194.10913	2.8
195.11682	3.5
196.09763	7.5
196.12430	1.5
197.09709	2.9
197.13196	3.0
198.10365	1.7
199.11179	10.5
199.14845	5.2
201.12738	3.5
203.10719	3.0
203.14357	3.8
205.08543	1.3
205.12245	2.0
206.08046	2.2
206.11577	1.4
207.11815	2.0
209.09659	2.6
209.13208	8.0
211.11159	2.8
212.12019	5.1
213.12701	9.9
214.13470	6.9
215.14352	3.8
217.15865	2.6
219.13788	1.4
221.09666	1.4
221.13419	1.5
222.10367	2.3
222.14101	1.5
223.11166	4.1
223.14844	2.7
224.09206	12.0
224.12718	1.5
225.12837	4.3
227.14282	28.3
231.13843	2.3
233.15343	1.5
235.11198	2.1
236.11865	3.0
237.12723	10.2
237.16405	2.9
239.10722	1.5
239.14299	3.2
241.12212	5.6
242.12617	1.4
244.13326	1.6
245.15355	13.3
247.14873	5.5
250.13609	2.8
251.10715	1.5
251.14247	1.4
255.13837	5.5
255.17389	1.8
257.15372	1.5
260.12845	1.9
262.14355	3.4
263.16415	36.5
263.19077	2.4
264.16547	1.5
265.15839	17.7
275.14261	3.4
278.13705	2.2
283.16843	6.2
284.17053	1.7
290.13861	10.4
293.15335	17.1
301.18057	2.8
305.13275	1.3
308.15182	2.0
311.16348	7.0
322.17804	1.7
324.19321	1.4
326.17480	3.7
328.19101	1.5
340.18961	5.8
344.18579	3.4
349.69528	1.3
350.21130	6.3
356.18152	1.4
358.20212	4.8
368.22177	7.2
376.21237	1.9
378.20612	16.5
386.23340	6.7
396.21716	26.5
397.22018	2.8
414.22742	100.0
415.22894	7.5
432.23801	73.5
433.24487	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	432.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01860	3.8
55.05491	2.2
57.03218	0.8
57.03437	8.0
65.03923	1.5
65.07563	0.8
67.05491	4.2
68.05006	1.7
69.03411	8.4
69.07067	2.2
69.27599	2.1
69.28003	4.5
70.06586	12.4
71.04966	1.2
71.73719	1.0
77.01627	0.9
77.72404	1.0
79.05490	3.6
80.05009	1.9
81.03405	2.4
81.07052	4.1
82.02939	2.5
82.06575	3.3
83.04961	1.4
84.04505	1.6
86.06064	28.8
87.04470	8.5
88.84662	0.9
91.05453	5.0
93.03410	3.0
93.07035	5.8
94.06527	1.8
95.04955	4.6
95.08595	3.7
96.04487	4.0
96.08125	1.5
98.06046	40.7
105.07021	8.7
106.06565	1.2
107.04934	2.6
107.08579	5.4
108.04469	4.4
108.08102	8.4
109.06507	2.1
109.10222	1.3
110.06036	14.4
111.08073	1.2
112.07603	4.3
115.05486	1.2
117.07005	2.7
119.04968	1.4
119.08570	8.7
120.08054	1.2
121.06510	3.7
121.10146	1.6
122.06018	3.7
122.09653	1.6
123.08073	3.1
124.07567	8.3
125.09660	1.4
128.06213	2.4
129.07002	4.5
131.08562	8.3
132.81973	1.0
133.06509	2.9
133.10141	6.7
135.08067	6.0
136.07565	32.6
137.09604	3.3
138.05486	3.3
138.09119	3.3
140.07060	1.1
141.07031	1.5
142.07759	3.2
143.08557	7.7
144.09196	1.0
145.06500	2.6
145.10127	5.7
147.07999	5.3
147.11659	5.7
148.07590	1.3
149.05995	1.0
149.09619	5.6
150.05479	1.9
150.09128	27.4
150.10260	1.9
151.07553	1.4
151.09540	1.1
152.07072	11.4
153.07098	1.1
155.08528	4.7
156.09344	3.5
157.10139	10.1
159.08023	9.5
159.11671	5.3
160.08894	1.4
161.09602	10.0
161.13206	4.8
162.84433	1.0
163.11134	2.4
164.07057	34.5
165.07129	1.7
167.08531	2.9
168.06560	2.5
169.10129	6.7
170.10867	2.3
171.08060	4.0
171.11659	13.3
173.09615	6.7
173.13338	1.9
174.10291	1.2
175.07535	3.9
175.11174	8.8
177.09074	4.9
177.12682	1.8
178.08644	7.1
178.12239	1.6
179.08543	3.9
180.09241	1.9
181.10109	5.0
182.08130	8.9
183.08072	1.8
183.11656	5.9
184.12492	1.8
185.09619	7.6
185.13277	7.1
186.10323	2.2
187.07513	2.9
187.11191	4.3
189.09087	1.8
189.12714	8.9
191.14374	1.3
193.10170	3.0
194.10852	2.5
195.08063	1.9
195.11697	4.4
196.09720	10.2
197.09659	4.4
197.13235	2.3
198.10411	3.2
199.11143	8.6
199.14822	6.5
201.12801	1.7
203.10641	1.9
203.14372	2.4
206.08119	2.9
206.11717	1.6
207.11699	2.7
208.12381	1.2
209.09627	3.6
209.13190	8.7
210.10251	1.1
211.11218	5.0
211.14842	1.6
212.11952	4.5
213.12733	14.3
214.13521	9.1
215.10620	1.6
215.14333	3.2
219.11708	1.6
221.09717	2.4
222.10521	2.9
223.11264	4.2
223.14842	2.3
224.09152	14.0
224.12746	1.5
225.12729	4.2
227.14287	26.4
228.14690	1.9
231.13765	1.3
232.12518	1.1
233.15424	1.7
235.11212	2.3
236.12006	2.1
237.12746	9.2
237.16406	3.2
239.10635	2.0
239.14336	4.6
241.12242	4.5
244.13435	2.3
245.15355	7.4
247.14856	5.5
249.16331	1.6
250.13594	3.0
251.10635	1.3
251.14166	1.3
255.13910	7.2
255.17287	2.3
260.12622	1.6
262.14468	4.1
263.16507	12.5
264.11453	2.2
265.15848	19.0
267.13821	1.4
267.17239	1.8
270.14822	1.1
272.12784	1.6
275.14383	3.0
283.16873	7.3
290.13773	10.7
293.15323	21.4
294.15683	1.3
301.17892	2.1
308.14993	1.7
311.16360	8.5
322.17969	2.4
326.17569	3.1
328.19254	1.4
332.20126	1.4
340.19116	7.3
344.18680	3.7
350.21182	4.7
358.20108	3.5
360.19943	2.3
368.22214	4.5
378.20581	14.1
386.23172	4.8
396.21646	26.8
397.22064	1.9
414.22726	100.0
415.23013	8.0
432.23801	78.4
433.24350	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	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28180	2.0
55.01868	27.3
55.05507	10.0
58.99593	2.9
59.00035	2.5
61.02927	3.8
65.03949	3.5
67.05495	26.9
68.05035	2.3
69.03419	9.0
69.07064	40.2
69.41013	11.6
70.06595	4.9
71.04986	9.9
73.02912	3.2
79.05486	9.6
80.05018	2.8
81.07052	13.9
83.04980	4.9
84.04502	4.4
85.02900	15.7
86.06068	42.0
91.05483	6.3
93.07031	11.9
95.04964	20.5
95.08614	8.4
96.04477	3.9
97.02895	7.5
97.06533	9.1
98.23446	4.5
99.04436	5.3
105.01851	2.6
105.07014	6.3
107.08604	9.3
110.06048	7.4
111.11691	3.4
112.02192	3.4
114.05550	2.6
115.02126	10.2
117.06998	2.9
119.08582	5.9
121.10152	29.8
123.08103	3.2
123.11718	11.6
125.05982	2.9
125.09651	8.7
132.06558	100.0
135.08018	3.8
136.07536	2.5
139.11165	33.2
140.01646	9.9
142.03218	5.8
143.10646	25.6
145.10126	2.7
147.08052	5.0
149.09627	9.6
154.04997	5.8
159.08044	5.7
163.07529	5.0
167.10690	24.3
175.07509	5.5
186.02200	13.4
189.09105	11.4
198.05798	20.0
212.08304	3.4
217.15961	2.7
227.10638	22.2
235.16905	26.2
244.06256	3.1
245.11719	51.9
246.12108	4.0
248.11317	2.4
270.16965	70.9
271.17236	3.3
279.10638	5.4
293.66342	2.4
294.11783	10.4
389.12277	3.0
432.16431	3.4
433.10980	14.7
433.18356	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	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14770	0.5
57.03426	0.5
61.02904	0.5
67.01850	0.7
69.03419	1.7
69.50539	1.9
70.06574	0.6
79.05488	0.7
85.02901	4.1
97.02888	2.0
109.02872	0.8
109.10143	0.5
118.95385	0.6
119.04935	2.8
124.11498	0.5
124.80584	0.5
127.10331	0.5
128.37309	0.6
145.02788	0.5
153.01831	5.6
186.55174	0.6
207.53333	0.5
271.05991	100.0
272.06335	5.1
274.66675	0.6
331.81415	0.5
370.72830	0.6
416.20230	1.3
434.21234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
56.14770	0.5
57.03426	0.5
61.02904	0.5
67.01850	0.7
69.03419	1.7
69.50539	1.9
70.06574	0.6
79.05488	0.7
85.02901	4.1
97.02888	2.0
109.02872	0.8
109.10143	0.5
118.95385	0.6
119.04935	2.8
124.11498	0.5
124.80584	0.5
127.10331	0.5
128.37309	0.6
145.02788	0.5
153.01831	5.6
186.55174	0.6
207.53333	0.5
271.05991	100.0
272.06335	5.1
274.66675	0.6
331.81415	0.5
370.72830	0.6
416.20230	1.3
434.21234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05508	0.8
57.03431	1.4
60.24067	0.6
69.03429	9.1
69.07057	1.0
70.70813	1.3
72.08165	1.0
73.02908	2.6
73.28278	0.7
76.02245	0.7
79.05486	1.2
81.03416	1.2
81.07049	1.7
83.04964	1.3
85.02894	8.5
86.09692	2.6
91.89692	0.7
93.07059	1.0
95.01321	5.6
95.04963	1.3
97.02881	2.8
99.04432	1.2
102.03740	1.0
109.06529	1.0
115.03886	1.2
121.10134	1.1
123.04408	0.9
126.01068	11.1
127.01843	2.0
127.03905	1.0
131.06056	0.9
133.06473	1.0
133.07704	0.8
137.05927	4.7
139.01817	1.1
139.07573	3.6
141.02118	1.1
145.04910	1.8
154.02931	2.0
165.02151	1.8
166.02956	2.0
167.07008	4.5
171.06654	1.0
173.08228	8.9
185.07820	4.9
185.49794	0.8
191.09282	2.8
193.08572	1.3
207.04305	29.4
208.04938	3.6
209.05843	5.1
210.04277	11.3
213.07375	3.1
225.05357	4.3
227.07106	1.4
227.09155	3.7
229.07277	0.9
254.04320	7.6
255.08617	2.0
258.10306	0.8
272.05450	1.4
314.66995	0.7
329.11975	4.2
330.09915	1.1
347.13120	17.3
353.14954	0.8
387.10791	4.9
389.14160	65.4
390.14368	2.5
433.13101	100.0
434.13705	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	433.1475
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
56.96558	6.0
66.09360	4.2
70.60755	4.0
83.04971	7.1
85.02936	4.6
89.54657	3.6
91.51505	3.8
98.97567	35.2
100.11259	6.3
108.52028	3.7
116.98607	10.7
131.00192	7.1
132.06555	8.1
143.72002	4.0
158.99681	4.8
177.00684	6.4
191.02351	6.5
192.57680	3.8
210.14856	4.8
219.01811	5.1
245.08372	4.3
245.10666	6.1
347.13644	5.8
365.14691	4.9
389.15497	9.5
410.87881	3.9
416.89066	4.2
433.14417	100.0
434.14816	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	433.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.3
61.75937	2.5
83.04957	3.8
98.97569	23.2
100.11208	3.6
110.97519	3.7
116.98566	11.1
131.00133	6.6
132.06558	5.3
134.99619	3.5
136.73947	2.4
149.01115	3.3
158.99582	6.9
173.01111	3.7
175.55414	2.6
177.00688	4.6
186.09024	5.2
187.85938	2.6
203.05142	3.4
210.14824	3.2
211.07372	2.5
225.12027	2.5
237.02676	3.8
244.73328	2.5
245.10593	6.8
287.11603	2.9
303.76740	2.9
347.13589	8.7
365.14621	8.4
389.15320	7.5
433.14343	100.0
434.14545	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	433.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
56.51242	1.1
67.05495	1.8
69.03427	3.2
69.31026	7.1
74.99338	1.2
79.05492	2.1
81.07046	1.2
83.04978	1.2
91.05476	4.7
95.04967	1.4
95.08582	1.5
105.07040	2.3
109.02875	3.2
113.00011	20.7
115.00409	4.3
115.05479	2.5
117.06983	1.9
119.04953	2.2
119.08559	3.2
121.06503	10.7
128.06226	2.2
129.06979	3.9
132.05745	1.6
135.04402	11.8
135.08029	1.3
141.07024	2.9
142.07736	3.5
143.08545	1.3
145.06485	11.4
147.04420	6.4
147.08064	2.9
151.07549	3.0
153.07037	1.3
154.07729	2.0
155.08560	1.6
159.04384	2.2
159.08069	1.5
161.05927	2.2
165.07104	1.5
167.08636	1.4
168.05728	1.7
169.02600	13.0
169.06502	2.1
169.10089	2.4
170.02899	6.0
170.07065	1.5
171.03055	4.8
171.08052	4.0
173.05971	6.8
175.07515	2.5
182.07246	3.6
183.08073	5.2
185.05989	7.3
185.09642	5.1
195.08051	3.3
196.08801	1.7
197.09639	3.3
198.06653	2.2
199.07492	8.5
200.08389	1.6
201.09128	2.5
203.07057	4.3
204.09384	1.5
209.09618	3.4
211.07535	11.9
212.08295	34.9
213.09039	8.1
215.08653	1.4
216.09308	1.9
219.08026	2.8
220.08891	3.4
222.06866	2.1
223.07561	3.5
224.08301	2.4
225.09093	49.5
226.09543	3.1
227.07059	3.7
228.07695	2.1
231.08336	1.2
232.08873	4.9
233.09564	1.6
235.11264	1.5
236.08394	3.0
237.09018	6.3
238.09773	2.0
241.08582	3.9
243.11807	1.7
245.09514	2.0
246.10417	1.7
247.11143	2.8
248.08308	2.3
249.09142	2.6
253.08513	16.3
254.09175	6.3
256.08997	1.5
256.12366	1.2
258.10126	1.2
259.11234	1.9
261.09131	2.2
263.10733	1.7
266.10928	1.9
269.09525	6.0
270.10379	2.8
275.10672	2.5
281.09424	1.9
283.11148	4.5
284.11966	2.6
285.12692	2.5
286.09937	3.3
287.10654	4.0
288.11411	3.2
289.12177	1.3
293.09576	1.6
294.10364	3.5
295.11060	2.7
296.11942	4.6
297.09012	2.4
298.09698	1.7
299.10867	1.9
299.14294	1.5
300.90652	1.4
303.10413	1.7
304.10925	2.0
307.09677	10.7
309.12665	3.8
311.10733	5.5
312.11392	14.7
313.12186	5.4
314.12775	1.3
315.10178	3.0
315.13705	1.4
316.10989	1.7
322.10013	1.9
323.10559	2.8
325.08679	4.0
326.12930	2.1
327.10236	2.0
327.13693	10.2
329.11743	5.4
330.12369	2.4
331.13370	2.2
337.12366	3.2
339.10153	6.2
339.13736	2.4
340.10928	6.4
341.11780	3.7
343.09616	2.9
343.13354	2.3
344.14096	4.5
345.14728	7.0
355.13248	91.3
356.13644	9.4
365.11807	2.0
368.10306	7.1
373.14319	16.6
373.18707	1.9
383.12747	67.1
384.13095	4.9
401.13779	24.4
402.14233	3.6
403.10297	1.4
405.17404	1.4
415.15396	71.0
416.15826	6.6
433.16446	100.0
434.16745	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	433.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
53.83801	1.0
56.01863	1.0
67.05434	1.1
69.03420	2.7
69.71584	4.2
81.12581	1.1
83.04974	2.6
91.05483	3.1
103.04143	1.1
105.07028	4.0
107.04932	2.0
109.02888	2.3
113.00023	3.9
115.00382	1.6
115.05457	1.4
117.07027	3.9
119.05002	1.3
119.08591	2.7
121.06490	7.5
128.06236	4.9
129.06998	3.4
133.06429	1.5
135.04422	18.8
141.07002	2.2
142.07819	4.0
143.08569	1.5
145.06483	8.2
145.91649	1.1
147.04424	5.9
151.07500	2.2
153.07002	1.5
154.07761	3.7
155.08560	1.7
157.10040	1.2
159.07997	1.2
165.06892	1.3
167.08485	1.2
168.05827	1.1
169.02687	1.5
169.06523	4.4
169.10129	7.0
170.07249	1.8
171.03064	1.3
171.08031	3.6
173.06007	6.7
175.07507	2.1
179.08562	2.2
182.07266	3.7
183.08055	4.8
185.05959	8.5
185.09625	7.5
187.07672	1.2
192.09433	1.3
195.08122	2.8
196.08865	1.6
197.09639	5.3
198.06685	2.0
199.07506	10.1
200.08292	2.9
203.07051	5.1
204.09447	1.2
209.09624	3.8
210.06636	2.3
211.07532	9.0
212.08304	23.0
213.09027	10.0
218.07237	1.2
219.08047	3.8
219.11670	1.4
220.08853	2.3
221.09644	1.3
223.07520	2.3
224.08246	1.3
225.09076	40.5
226.09608	2.4
227.06979	5.5
227.86879	1.3
232.08781	2.6
235.07329	1.2
235.11217	2.1
236.08395	2.2
237.09131	4.0
238.09846	2.2
241.08543	9.4
243.11784	1.5
245.09438	1.9
246.10437	2.0
248.08347	1.9
249.09151	4.5
253.08286	7.7
254.09299	3.2
265.08447	2.7
266.11093	2.3
267.11758	1.4
268.12439	1.9
269.09564	6.9
270.10242	1.3
272.08408	1.4
273.09186	2.1
275.10718	2.2
282.75085	1.3
283.11102	3.7
284.11938	4.6
285.09155	1.3
285.12665	1.8
287.10727	2.3
288.11411	1.8
289.12241	1.7
291.10101	1.9
293.08951	1.1
294.10239	2.4
295.11102	4.5
296.11841	6.0
297.09134	3.0
298.09619	1.9
299.10696	3.7
299.14035	1.5
301.08755	1.7
301.12280	2.7
303.10034	1.4
307.09619	11.3
309.09244	2.1
309.12744	2.1
310.13193	1.2
311.10641	6.2
311.47131	1.2
312.11414	16.9
313.12186	4.3
314.09305	2.2
315.09985	1.2
317.11819	1.7
322.10040	3.5
323.10703	5.0
324.11389	1.6
325.08502	4.6
325.11935	1.4
326.12979	3.2
327.13757	12.7
328.14395	1.5
329.11710	3.1
330.12518	1.9
337.12222	4.3
338.12885	1.5
339.10248	5.7
339.13858	2.8
340.10870	7.7
341.11719	3.7
343.09427	1.6
344.14246	2.3
345.14728	6.2
354.12714	1.7
355.13248	100.0
356.13730	10.5
357.14841	1.5
365.11572	3.1
368.10403	8.1
373.14285	17.3
374.14661	2.3
383.12753	63.9
384.12988	4.9
400.13107	1.4
401.13876	14.9
403.10245	1.9
405.16568	1.9
415.15366	65.2
416.15784	7.2
433.16425	58.3
433.22363	2.7
434.16809	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	433.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05508	17.1
57.03428	0.9
61.50536	0.4
67.05502	4.8
69.03448	0.4
69.07066	1.0
69.36266	2.0
79.05486	2.5
81.07059	4.8
83.04977	100.0
84.05302	2.0
91.05471	2.0
93.07042	4.3
95.04945	0.6
95.08605	4.3
97.10239	0.4
98.98459	9.9
105.07040	1.9
107.08596	3.1
109.10164	1.9
115.05449	0.4
117.07028	0.9
119.08578	1.3
121.06516	2.0
121.10152	2.2
123.11704	1.3
128.06195	0.8
129.07013	0.5
131.08595	1.4
133.10124	1.0
135.04413	3.0
135.08109	0.6
135.11719	1.2
141.07014	0.6
141.23636	0.4
142.07779	0.9
145.06473	2.3
145.10159	0.6
147.04359	1.0
147.11670	0.9
149.13312	1.0
154.07791	0.6
155.00980	0.8
159.11696	0.6
161.13266	0.5
163.14890	0.4
165.07051	0.4
169.06485	0.5
169.10136	1.0
171.07994	0.6
173.02116	1.6
173.06047	1.3
173.13249	1.0
175.07597	0.5
182.07336	0.8
183.08040	0.8
185.05971	1.8
185.09608	0.8
195.08076	0.8
197.09663	0.9
199.07614	1.5
200.08282	0.5
203.06993	1.0
209.09489	0.6
211.07568	1.0
212.08319	4.2
213.09004	1.9
215.07028	0.8
219.08005	0.8
225.09065	6.9
227.07074	0.9
232.08992	0.5
237.09065	0.5
241.08629	1.6
243.21094	1.3
249.09367	0.5
253.08351	0.8
254.09384	0.4
261.22134	4.7
265.08612	0.5
269.09692	1.1
270.10397	0.4
284.11960	0.7
295.11090	0.4
296.11978	1.0
297.09000	0.8
298.09628	0.5
299.14011	0.5
307.09650	1.5
311.10480	0.9
312.11426	2.6
313.11951	0.5
317.11560	0.5
317.24710	0.8
325.08603	0.6
327.13708	1.1
335.25797	8.0
337.12219	1.1
339.10300	1.0
340.10938	1.4
345.14917	1.0
355.13251	16.3
356.13727	1.4
365.11722	0.4
368.10449	1.6
373.14328	2.4
373.32504	0.4
383.12711	9.5
384.12866	0.5
401.13803	1.3
403.10074	0.6
415.15359	11.9
416.15744	1.3
433.16373	10.8
434.16461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90493	1.6
69.03428	2.7
69.78135	6.1
84.53593	2.4
88.76193	1.9
91.05486	3.4
97.80981	1.8
98.22724	1.9
105.07044	2.2
109.02907	2.4
117.07011	3.4
119.04927	2.1
119.08583	2.5
121.06525	6.4
128.06216	2.8
129.07010	4.4
135.04420	15.1
141.06944	2.2
142.07774	4.5
145.06451	11.3
147.04390	4.9
147.78986	1.8
154.07793	5.8
159.08025	2.1
167.08598	2.6
169.06396	3.2
169.10135	8.2
171.08096	2.5
173.05986	9.1
175.07550	2.5
179.08551	3.2
182.07259	3.7
183.08055	3.9
184.08751	2.1
185.06006	7.1
185.09634	7.6
186.33893	1.8
195.08058	5.1
197.09656	5.3
198.06786	4.6
199.07503	10.5
200.08290	4.1
201.09132	2.4
203.06985	4.3
209.09622	3.0
211.07510	5.9
212.08304	22.7
213.09100	10.5
215.08583	2.3
215.57196	2.1
216.09315	2.0
217.10152	1.9
219.08081	3.1
220.08911	2.7
223.07515	3.1
225.09071	35.8
227.07045	4.5
228.07689	3.7
236.08226	2.6
237.09039	5.8
238.09970	2.5
241.08490	9.3
245.09679	2.4
247.11052	2.4
249.09013	5.5
253.08540	6.3
254.09389	2.2
266.10931	2.0
269.09610	6.8
272.08411	1.9
275.10605	4.1
277.08667	2.6
281.09909	2.1
283.11182	4.6
284.11874	5.1
287.10321	2.4
291.10147	2.3
293.07782	2.5
294.10251	3.4
295.11099	4.1
296.12018	3.9
297.09244	2.2
301.12143	2.5
307.09570	15.6
311.10559	5.2
312.11395	16.3
313.12070	3.7
321.38699	2.3
323.10718	3.6
325.08472	2.5
326.12891	2.5
327.13736	11.4
329.11658	3.1
330.12540	2.2
337.12192	6.6
339.10086	7.0
339.13779	2.7
340.10776	9.0
341.11603	3.4
343.09753	2.1
345.14865	7.4
354.12433	2.1
355.13272	100.0
356.13824	10.4
368.10492	8.2
373.14102	17.0
383.12769	55.7
384.13126	4.9
400.13159	2.2
401.13654	10.7
403.10168	4.1
415.15399	73.9
416.15649	7.7
433.16370	60.5
433.27396	1.9
434.16699	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	433.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15736	1.0
51.20054	1.0
51.90841	1.1
51.93080	1.0
53.03941	1.9
56.88321	1.2
65.03944	1.2
69.03401	2.4
69.21479	7.7
74.19844	1.0
79.05466	1.6
80.64623	1.1
83.04961	1.9
91.05476	3.5
95.05077	1.4
105.07024	3.0
109.02872	5.1
115.05445	2.5
117.07018	3.9
117.42722	1.0
119.08595	1.3
120.37337	1.1
121.06506	8.5
128.06206	3.5
129.06992	3.5
133.06467	1.4
135.04419	21.3
135.08034	1.2
141.06999	3.1
142.07790	3.7
143.08617	1.5
145.06476	12.1
147.04393	7.0
151.07521	2.9
152.06294	1.1
153.07109	1.2
154.07689	2.6
159.04393	2.5
159.08104	1.6
161.06009	1.2
165.06999	1.3
167.08574	1.3
168.05688	1.3
169.06500	3.5
169.10092	6.1
170.07416	1.2
171.08067	3.5
173.05952	7.7
175.07539	2.5
179.08557	2.1
182.07285	4.5
183.08093	3.9
184.08765	1.6
185.05966	10.3
185.09604	5.7
195.08096	3.9
196.08838	1.5
197.06033	1.2
197.09633	3.4
198.06755	3.6
199.07521	9.4
200.08217	2.8
201.09172	1.7
203.07028	4.7
205.06516	1.2
209.09671	4.4
211.07553	6.7
212.08304	23.4
213.09023	11.9
219.08035	5.3
219.11607	1.4
220.08867	3.5
221.09599	1.7
223.07521	2.6
225.09088	38.3
226.09668	2.7
227.06960	5.5
228.07739	2.7
232.08813	2.7
235.10941	1.2
236.08269	2.3
237.09076	2.8
238.09973	2.3
239.10776	1.6
241.08514	10.4
245.09586	1.3
246.10519	1.9
247.11165	2.1
248.08279	2.2
249.09192	3.0
253.08386	8.7
254.09254	2.5
259.11197	2.3
265.08493	2.7
266.11038	1.3
269.09665	9.2
270.10370	2.4
271.10635	1.3
273.09015	1.7
275.10663	3.2
281.09598	1.7
283.11218	3.5
284.11945	3.6
285.09177	1.5
285.12689	2.1
288.11258	1.9
289.12140	2.3
291.10022	2.2
294.10483	2.2
295.11197	3.4
296.11887	5.5
297.09033	2.6
299.10733	2.9
299.14188	2.9
301.08701	1.8
301.12158	2.6
307.09637	11.2
309.09238	1.8
309.12741	3.1
310.13260	1.4
311.10733	6.1
311.13867	1.3
312.11420	14.9
313.12100	5.3
315.10199	2.8
315.13605	1.8
316.10767	1.8
317.11472	1.4
322.09906	3.5
323.10724	4.1
324.11362	2.1
325.08609	3.3
326.12967	3.3
327.13809	12.7
328.14499	2.3
329.11609	3.2
331.13318	2.5
336.11575	1.7
337.12286	3.9
339.10129	6.4
339.13834	2.8
340.11029	5.3
341.11667	3.6
343.09482	1.9
344.14041	2.8
345.14938	5.5
353.11826	1.4
354.12494	1.4
355.13251	100.0
356.13788	12.0
365.11804	2.3
368.10477	8.5
373.14310	16.5
374.14810	1.9
383.12741	55.0
384.13184	4.3
387.16107	2.1
400.13159	1.3
401.13913	11.2
402.13654	1.3
403.10461	2.2
405.17114	1.7
415.15378	67.8
416.15710	5.5
433.16382	55.8
434.16611	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	433.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44106	0.9
53.03942	2.3
56.82676	1.0
56.96549	1.4
69.03419	2.8
69.27264	2.0
69.27665	4.5
79.05508	1.7
87.81143	1.1
91.05469	3.7
93.83509	1.0
95.04950	1.3
97.02848	1.3
105.07023	2.0
107.04961	1.7
109.02853	5.2
112.10989	1.0
115.05441	1.9
117.07011	4.0
119.04931	1.4
121.06496	7.6
128.06227	4.4
129.06989	3.5
135.04393	20.9
141.07031	1.1
142.07764	3.6
143.08551	1.6
145.01801	1.4
145.06467	8.9
147.04367	5.4
151.07581	3.2
153.06984	2.5
154.07729	6.4
155.08612	1.4
157.10191	2.1
159.04471	1.4
159.08061	2.1
161.05969	2.0
163.02776	1.5
165.07066	1.3
166.07695	1.2
169.06451	3.5
169.10152	5.6
170.07225	1.3
171.08072	3.3
173.05937	8.8
175.07532	3.6
178.07851	1.4
179.07039	1.3
181.06520	1.2
181.18494	1.0
181.61497	1.2
182.07309	5.0
183.07997	4.9
185.05969	9.6
185.09621	6.2
192.09343	1.6
195.08041	3.3
196.08708	1.4
197.09605	3.9
198.06708	2.0
199.07539	9.3
199.35654	1.2
200.08347	2.4
201.09073	1.6
203.06998	5.9
209.09622	3.0
211.07455	7.6
212.08301	22.3
213.09097	12.4
219.08086	4.0
220.08789	1.9
221.09669	1.4
223.07568	2.4
225.09091	38.2
226.09586	2.0
227.07069	5.1
228.07608	2.6
232.08852	3.9
235.07559	1.1
235.11189	1.9
236.08311	2.0
237.09108	4.4
238.09698	2.2
239.10628	1.4
241.08466	8.8
243.11710	1.0
244.32132	1.1
245.09633	2.2
246.10364	1.4
247.11246	1.8
248.08369	2.2
249.09105	4.8
253.08638	6.5
254.09402	3.6
256.08856	1.6
259.11258	1.9
265.08548	3.4
269.09561	7.3
270.10175	1.5
272.08264	1.4
275.10764	3.1
282.10364	1.8
283.11206	2.8
284.11887	4.1
285.09128	1.8
287.10638	3.1
288.11346	2.2
289.12216	2.6
291.10172	2.0
293.08286	1.1
294.10434	1.7
295.11160	3.3
296.11874	5.1
297.09109	2.9
299.10724	2.5
299.14124	2.4
301.12305	2.0
306.10519	1.2
307.09619	12.9
309.09369	1.1
309.12772	2.8
311.10709	7.0
312.11438	15.8
313.12201	3.5
314.09396	1.3
315.10150	2.3
317.11655	2.3
319.09738	1.4
322.09854	2.9
323.10727	2.4
324.11371	2.2
325.08618	4.7
326.12997	2.6
327.10178	1.7
327.13785	12.0
328.14343	1.8
329.11694	3.4
330.12524	2.5
337.12473	3.4
339.10129	5.1
339.13870	3.0
340.10812	7.8
341.11646	3.7
343.09692	2.4
344.13943	2.5
345.14908	6.3
353.11755	1.5
355.13248	100.0
356.13669	13.7
365.11911	3.4
366.12366	1.3
368.10403	10.0
373.13965	15.1
374.14496	2.2
383.12732	59.1
384.13034	5.0
391.17929	2.5
400.12631	1.3
401.13812	12.7
403.10333	1.9
415.15363	66.9
416.15503	6.1
433.16388	48.9
434.17023	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	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09866	0.4
52.68935	0.3
54.86593	0.3
70.54441	0.4
70.54764	0.4
73.38663	0.3
88.36728	0.3
101.99482	0.4
155.83127	0.3
159.71059	0.3
215.79492	0.3
220.90152	0.3
301.12589	6.7
310.03220	0.3
389.17953	0.5
433.16797	100.0
434.17154	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	433.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93957	0.3
58.22087	0.3
60.04523	0.6
69.03429	0.5
70.06590	1.1
70.07384	0.7
72.08158	3.1
74.06094	0.9
84.08137	0.6
85.02904	0.8
86.09705	6.4
91.05499	1.0
97.16686	0.3
110.07165	0.5
117.07020	0.6
119.04959	1.2
137.06036	0.5
145.06529	1.2
147.04393	1.8
159.11311	1.2
163.06023	0.3
163.07611	0.9
168.96078	0.3
173.12891	1.2
175.03915	1.3
175.07536	0.8
187.10759	0.8
191.92647	0.3
201.12405	0.7
207.06560	3.4
217.08630	1.0
247.12918	1.0
282.18039	0.4
301.12549	5.7
331.06497	0.4
389.13400	0.4
389.17691	1.1
413.04321	0.3
433.16815	100.0
434.17169	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	433.1684
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
50.93957	0.3
58.22087	0.3
60.04523	0.6
69.03429	0.5
70.06590	1.1
70.07384	0.7
72.08158	3.1
74.06094	0.9
84.08137	0.6
85.02904	0.8
86.09705	6.4
91.05499	1.0
97.16686	0.3
110.07165	0.5
117.07020	0.6
119.04959	1.2
137.06036	0.5
145.06529	1.2
147.04393	1.8
159.11311	1.2
163.06023	0.3
163.07611	0.9
168.96078	0.3
173.12891	1.2
175.03915	1.3
175.07536	0.8
187.10759	0.8
191.92647	0.3
201.12405	0.7
207.06560	3.4
217.08630	1.0
247.12918	1.0
282.18039	0.4
301.12549	5.7
331.06497	0.4
389.13400	0.4
389.17691	1.1
413.04321	0.3
433.16815	100.0
434.17169	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	433.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
55.05499	5.6
56.38862	4.9
57.03426	11.4
59.24281	4.7
63.21935	4.7
69.03429	27.2
71.04983	20.7
71.42301	5.5
73.02897	15.7
74.89381	4.7
80.95899	3.8
83.04968	8.8
84.08122	5.3
85.02895	56.1
91.05483	6.6
97.02879	17.5
98.07420	4.8
105.07035	5.6
111.04440	6.4
115.03909	16.9
121.06548	10.3
129.05510	12.8
137.05959	18.3
139.03886	5.5
147.06541	6.9
149.05965	12.0
151.07556	22.9
161.05977	15.9
163.03958	5.0
165.05406	8.3
167.07040	10.8
175.07523	6.4
179.07048	30.0
191.07063	13.1
194.06274	4.8
203.06947	6.3
215.06943	4.6
217.85954	4.8
225.07593	7.6
233.08223	22.3
247.09566	7.5
251.09076	14.8
433.16797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2194
Annotation	[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-D-ribitol
Peak:m/z	Relative Intensity
59.61219	0.3
70.49919	0.5
70.50262	0.4
79.05569	0.3
81.03390	0.4
91.05451	0.3
93.88519	0.3
107.08570	0.4
121.99500	0.3
135.11662	0.4
150.66252	0.3
152.12558	0.3
179.35637	0.4
249.10968	0.4
251.44476	0.3
311.99405	0.3
373.19812	18.7
374.20239	1.2
433.21948	100.0
434.22308	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	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
53.38593	1.8
55.05516	13.2
57.03433	12.5
57.07065	5.0
60.13704	2.0
65.03928	3.3
67.05501	67.3
69.07066	13.9
69.94659	2.4
69.96819	5.6
71.04961	2.0
75.07706	2.1
76.55271	2.1
79.05486	36.8
81.07055	71.2
81.94505	1.8
83.04984	3.2
83.08605	6.5
91.05481	21.5
92.49924	2.0
93.07040	53.7
95.04967	6.4
95.08599	56.6
97.06544	3.7
97.10210	3.2
98.22760	2.6
98.98458	99.5
105.04541	2.2
105.07017	18.1
107.08579	33.4
109.06525	4.7
109.10148	27.3
111.08044	2.8
116.99487	2.6
117.07027	5.3
119.00224	1.9
119.08567	17.4
121.10140	26.0
123.08020	3.4
123.11717	12.1
125.07209	2.0
131.08571	16.1
133.10104	12.9
135.11693	19.8
137.13242	6.1
145.10132	11.0
147.11688	8.0
149.13242	12.8
155.01018	9.1
159.11681	8.3
161.13260	6.3
163.14783	12.6
173.02136	19.3
173.13263	7.4
173.19876	2.3
177.16277	2.1
187.14806	5.4
205.15782	2.1
233.22578	3.2
243.21049	15.4
256.09113	2.2
261.22107	57.0
262.22443	2.9
311.93082	2.1
317.24911	9.8
335.25787	100.0
336.26071	6.7
403.10123	4.9
415.22302	3.3
433.14893	7.0
433.29034	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	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.9
57.03431	7.7
57.07079	3.4
59.10977	1.7
67.05502	46.0
69.03453	2.0
69.07056	9.2
69.29347	3.8
69.29758	5.7
74.62826	1.9
75.04487	2.5
79.05490	33.1
81.07050	51.2
81.07508	3.6
82.23438	2.0
83.08619	5.3
91.05495	17.9
93.07040	39.3
95.04964	5.7
95.08601	40.0
97.06506	4.1
97.10170	3.1
98.98461	100.0
105.07029	18.2
105.07667	2.5
107.08590	27.7
109.06519	3.9
109.10157	19.0
110.10464	1.7
116.99482	3.2
117.07005	7.9
119.08590	14.4
120.42696	2.0
121.10139	23.8
123.11707	5.7
125.43959	1.8
129.16322	2.1
131.08582	12.9
133.10124	14.5
135.11687	17.9
137.13268	4.6
143.08580	3.5
145.10152	12.9
147.11678	7.8
149.13249	15.5
151.14844	3.4
155.01035	26.6
159.11694	9.7
161.13271	6.4
163.14848	8.5
173.02081	21.0
173.13264	6.4
175.14835	3.1
187.14842	3.6
191.27541	1.8
201.16472	2.6
233.22635	3.7
243.21086	15.4
261.22128	66.4
262.22470	4.5
291.23157	1.9
297.31540	1.9
304.27032	1.8
317.24747	8.4
335.21686	3.1
335.25781	50.1
336.26160	3.0
399.46399	2.0
403.10175	5.4
415.22476	5.6
433.14883	7.8
433.29584	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.21844	1.8
53.65815	1.8
55.05505	17.7
57.03430	16.5
57.07060	3.1
57.20787	2.0
58.57765	1.7
65.03947	3.7
67.05502	62.5
69.07051	10.6
69.49858	3.8
69.50265	5.6
75.04483	2.3
75.93021	1.9
76.18931	1.6
77.95280	1.7
79.05043	3.3
79.05489	43.9
81.07054	75.8
83.08603	4.7
85.06535	2.0
91.05476	19.8
93.07042	50.9
95.04948	5.9
95.08598	59.5
97.06487	1.9
97.10139	3.3
98.98463	100.0
99.08034	2.7
105.07027	18.8
107.07925	3.3
107.08585	33.6
109.06496	3.2
109.10138	25.1
117.07000	7.2
119.08562	14.1
121.10129	25.9
123.11709	12.5
131.08556	14.5
133.10118	13.3
135.11665	19.2
137.13275	2.0
137.77039	2.0
145.10107	10.8
147.11674	11.5
149.13307	13.1
155.01016	10.5
159.11699	9.4
161.13235	7.8
163.14841	11.2
168.95346	2.1
173.02097	15.5
173.13269	7.1
175.14847	3.5
177.16344	3.4
186.53790	2.0
187.14839	4.8
191.14281	2.1
201.16319	2.6
205.29118	1.9
243.20985	15.1
261.22122	57.0
262.22400	5.0
277.21548	2.1
279.23010	2.2
291.23251	2.7
317.24619	9.3
335.25784	97.3
336.26074	6.0
399.27112	2.3
415.22461	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	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.3
55.61067	2.3
65.69781	2.4
67.05502	29.9
67.68703	2.5
69.07065	4.4
70.18312	5.5
72.34258	2.5
73.19653	2.6
79.05488	13.7
81.07047	36.8
83.08611	5.1
84.71384	2.5
91.05476	20.4
93.07040	8.6
94.77145	2.5
95.08604	38.6
102.84068	2.6
105.07030	6.3
107.08586	9.6
109.10162	18.8
111.67595	2.8
117.07043	3.0
119.04939	28.9
119.08579	4.3
121.10149	7.4
123.11709	6.1
131.08551	6.4
133.10112	11.3
135.11661	7.0
147.04398	100.0
149.13239	3.5
151.11176	6.3
165.05464	23.0
177.12920	3.2
195.13701	3.9
215.17938	8.4
215.23145	2.7
221.63423	2.4
233.18987	7.3
242.30315	2.6
251.20129	17.5
403.10193	9.6
433.14728	9.0
433.21484	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
60.04518	0.6
61.02920	1.6
62.03302	0.5
63.41519	0.5
69.03426	6.5
69.19323	3.4
70.06587	1.1
71.01310	0.6
73.02914	7.6
81.03418	1.2
84.05637	2.8
84.08106	0.9
85.02413	0.7
85.02898	10.6
86.09693	4.0
90.03428	0.9
95.04900	0.6
97.02885	8.7
99.04427	1.0
102.22415	0.5
105.07022	0.8
109.02866	0.9
113.07144	0.9
115.03925	4.9
120.08070	0.6
123.04435	1.1
123.05524	2.3
126.01061	31.8
127.01169	0.5
127.01862	6.3
127.03885	3.4
128.02684	1.4
131.06042	1.1
133.04958	1.4
139.01817	3.9
140.02585	0.7
141.02136	2.8
144.06554	0.9
145.04959	3.7
146.07100	3.2
147.06616	0.6
149.07014	0.8
153.02150	2.8
154.02948	4.7
156.05496	0.6
157.06261	0.9
162.07668	0.7
163.06052	1.0
165.02144	5.2
166.01631	1.1
166.02919	5.9
167.02568	0.7
167.03732	5.1
168.03236	1.2
171.06651	2.0
172.07434	2.8
173.08221	31.1
174.08527	0.8
180.03191	3.4
180.08598	0.6
181.05049	4.1
189.00603	0.6
189.07649	0.7
190.01674	1.3
190.08461	1.0
191.09258	8.8
193.01683	0.7
195.04372	0.6
207.04311	100.0
208.05075	12.5
209.05882	20.2
210.04285	40.1
211.04538	1.5
224.04576	0.8
225.05356	13.6
225.07426	1.0
226.06023	1.7
227.06956	3.2
228.05350	0.9
232.11786	0.7
254.04376	34.3
255.04584	0.9
272.05441	8.6
313.09082	1.2
319.94666	0.7
348.13303	1.4
352.13913	0.8
353.14508	4.2
361.22070	0.6
368.28061	0.7
387.06006	1.2
387.10617	15.9
388.11496	3.2
390.14523	5.8
434.13611	8.8
434.23233	1.0
435.13797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01860	9.9
56.96556	7.9
57.03421	6.0
58.61134	2.6
61.02924	4.1
68.99786	4.0
69.03420	31.6
69.32279	5.6
69.32639	13.7
71.04997	5.2
73.02915	9.2
81.03419	24.1
84.08141	3.1
85.02900	100.0
86.09720	3.2
87.00830	37.6
91.03928	2.6
97.02895	41.8
99.04441	14.4
105.01860	50.1
105.07053	3.0
108.04520	3.7
109.02871	39.8
111.04449	3.6
113.77677	2.5
117.01851	5.3
123.08083	3.3
125.05981	5.1
127.03915	78.5
129.01784	5.2
145.04955	38.5
147.02890	4.3
151.03926	32.5
151.05051	5.2
156.01071	2.6
158.23203	2.7
159.02869	24.7
163.03923	3.5
169.04959	11.9
173.47289	2.8
177.03918	2.7
206.53378	3.0
213.03976	5.0
231.05006	17.9
237.00517	3.7
255.01875	6.4
320.15054	2.8
406.73935	3.0
429.07047	5.0
433.16791	9.1
434.17099	71.3
435.17715	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	434.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01870	5.4
57.03424	3.6
61.02927	3.6
69.03423	20.5
73.02905	6.1
73.64468	2.0
81.03410	17.4
85.02903	53.4
86.09692	4.1
87.00832	19.1
88.72913	2.3
91.03967	2.4
97.02880	30.5
99.04452	9.6
105.01868	27.3
109.02874	23.4
110.41840	2.1
111.46723	2.1
117.01818	3.0
127.03915	46.1
130.29558	2.0
145.04945	18.9
145.87225	2.6
151.03911	20.7
151.04933	2.8
151.07532	4.9
159.02875	13.4
163.03885	3.4
169.04926	4.7
181.04976	2.8
231.05043	11.6
238.46118	2.3
301.12619	3.0
302.12967	4.1
361.27930	2.3
371.89197	2.3
409.06976	2.5
412.91544	2.9
423.36304	2.7
429.06882	2.8
433.16846	4.8
434.17151	100.0
435.17648	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	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20408	1.5
53.03942	2.8
55.01869	4.4
57.03438	41.7
57.93501	1.7
60.04505	2.0
61.02930	17.0
67.89128	1.4
69.03426	56.5
70.69804	2.4
71.01353	5.6
71.04997	3.3
71.23872	1.6
73.02915	100.0
77.36614	1.4
79.05503	4.5
81.03407	9.1
84.05653	2.3
85.02901	89.1
86.03253	1.6
87.00845	5.6
87.04455	4.5
91.03959	3.4
91.05483	4.6
96.04488	1.8
97.02892	83.3
99.04465	6.0
103.03921	2.6
105.01859	3.9
105.03415	3.5
109.02879	9.5
109.71414	1.9
111.04444	1.7
113.16215	1.7
115.03929	60.1
119.04957	4.4
119.61410	1.6
123.04422	12.5
123.05235	1.9
126.01087	11.1
126.05518	2.1
127.03926	31.4
133.04971	17.6
144.06575	8.6
145.04942	40.3
150.07611	4.6
151.07545	20.1
162.07613	6.4
163.06009	18.4
173.08220	4.4
180.08704	3.7
181.04990	3.0
191.09190	2.0
193.04913	2.1
193.08574	3.7
207.04300	18.5
208.04977	3.9
209.05997	2.3
210.04309	8.1
220.34070	1.6
223.06030	4.1
225.05312	3.8
227.06882	2.1
241.07164	4.1
254.04399	6.6
259.07953	2.3
272.05481	2.2
277.10764	4.0
285.09470	2.9
387.10529	4.1
390.14575	3.4
434.12979	2.9
453.30630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62370	1.2
53.03943	8.0
55.01862	8.3
57.03429	6.0
58.97464	1.4
61.02918	6.0
64.21715	1.1
65.03912	1.5
65.69370	1.1
67.42583	1.1
68.99779	4.6
69.03426	32.5
69.38991	6.8
71.01329	1.3
71.05008	2.5
73.02915	6.4
73.03255	1.2
76.44516	1.2
81.03411	27.6
85.02900	100.0
86.03226	1.4
87.00826	35.8
87.04459	1.7
89.06011	4.0
91.03926	1.2
91.05476	21.2
95.04953	2.7
97.02892	28.1
98.23480	2.3
99.04459	13.9
101.02385	1.5
103.03908	1.9
105.01861	38.4
105.07032	5.6
108.04463	4.5
109.02870	29.0
111.04440	2.3
115.03936	1.8
117.01907	2.4
119.04932	11.9
123.08060	1.5
127.03905	50.3
128.04300	1.4
129.01831	3.5
129.07021	3.4
131.04906	1.5
133.06506	2.7
133.08652	2.1
136.05238	2.7
137.05965	4.2
143.04924	1.9
143.08516	2.0
145.04944	27.4
145.06143	2.0
145.06554	1.2
147.02853	3.1
147.04416	1.9
150.06738	2.5
151.07533	70.9
152.07811	1.8
153.06953	1.4
157.06522	5.2
159.02863	13.4
161.05904	5.6
163.07387	1.6
165.09084	17.2
169.08620	4.5
171.02820	1.5
171.08055	2.3
174.06775	2.3
175.07542	8.1
177.11295	1.6
179.07010	5.3
181.04968	2.2
181.06436	1.9
181.08659	1.9
187.07607	1.4
189.03946	4.2
189.09077	8.0
191.06880	1.7
193.08598	36.7
199.07571	2.9
202.22952	1.3
203.10396	1.7
205.08603	2.4
213.03833	2.8
213.09169	2.8
217.08580	11.4
219.10201	1.5
227.07021	3.4
227.82225	1.3
230.06567	3.0
231.05029	12.1
231.10124	5.3
235.09595	16.0
241.08591	4.0
248.07567	1.9
249.06152	2.8
259.09637	27.2
262.52917	1.2
277.10696	39.7
278.10913	1.6
363.10736	4.8
381.11728	8.2
382.12259	1.4
435.18063	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62370	1.2
53.03943	8.0
55.01862	8.3
57.03429	6.0
58.97464	1.4
61.02918	6.0
64.21715	1.1
65.03912	1.5
65.69370	1.1
67.42583	1.1
68.99779	4.6
69.03426	32.5
69.38991	6.8
71.01329	1.3
71.05008	2.5
73.02915	6.4
73.03255	1.2
76.44516	1.2
81.03411	27.6
85.02900	100.0
86.03226	1.4
87.00826	35.8
87.04459	1.7
89.06011	4.0
91.03926	1.2
91.05476	21.2
95.04953	2.7
97.02892	28.1
98.23480	2.3
99.04459	13.9
101.02385	1.5
103.03908	1.9
105.01861	38.4
105.07032	5.6
108.04463	4.5
109.02870	29.0
111.04440	2.3
115.03936	1.8
117.01907	2.4
119.04932	11.9
123.08060	1.5
127.03905	50.3
128.04300	1.4
129.01831	3.5
129.07021	3.4
131.04906	1.5
133.06506	2.7
133.08652	2.1
136.05238	2.7
137.05965	4.2
143.04924	1.9
143.08516	2.0
145.04944	27.4
145.06143	2.0
145.06554	1.2
147.02853	3.1
147.04416	1.9
150.06738	2.5
151.07533	70.9
152.07811	1.8
153.06953	1.4
157.06522	5.2
159.02863	13.4
161.05904	5.6
163.07387	1.6
165.09084	17.2
169.08620	4.5
171.02820	1.5
171.08055	2.3
174.06775	2.3
175.07542	8.1
177.11295	1.6
179.07010	5.3
181.04968	2.2
181.06436	1.9
181.08659	1.9
187.07607	1.4
189.03946	4.2
189.09077	8.0
191.06880	1.7
193.08598	36.7
199.07571	2.9
202.22952	1.3
203.10396	1.7
205.08603	2.4
213.03833	2.8
213.09169	2.8
217.08580	11.4
219.10201	1.5
227.07021	3.4
227.82225	1.3
230.06567	3.0
231.05029	12.1
231.10124	5.3
235.09595	16.0
241.08591	4.0
248.07567	1.9
249.06152	2.8
259.09637	27.2
262.52917	1.2
277.10696	39.7
278.10913	1.6
363.10736	4.8
381.11728	8.2
382.12259	1.4
435.18063	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	1.6
60.04517	0.8
66.92184	0.7
67.05483	1.9
69.03424	3.4
70.06616	3.1
70.74428	0.6
71.44021	0.7
77.03938	0.6
79.05484	4.6
81.03414	3.0
81.07049	1.2
85.02908	5.4
86.09716	0.6
87.00817	2.8
91.05461	4.1
93.07021	1.3
95.04951	2.9
95.06059	1.3
95.08601	1.9
95.54951	0.5
97.02889	4.5
99.04447	1.3
103.05453	2.6
105.01855	2.3
105.07024	37.2
108.05739	0.7
109.02880	2.4
109.06501	2.5
112.08651	1.0
115.08685	1.4
119.08566	1.0
120.08108	5.5
123.05550	2.7
123.08063	32.9
124.08419	0.8
127.03904	3.2
131.08572	1.1
133.06482	100.0
134.06827	2.3
145.04976	2.4
147.08032	1.5
151.07538	26.2
152.07845	0.7
159.02844	1.1
159.07901	0.6
162.70462	0.6
181.04955	4.7
186.09700	0.6
231.05096	1.0
236.73564	0.7
249.06078	0.7
259.17987	1.1
291.16992	0.7
313.09036	1.4
353.12317	0.7
434.22498	1.4
435.23526	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	434.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05500	5.2
56.05029	0.7
57.03431	6.2
57.07074	1.1
57.98787	0.5
58.99584	14.3
61.01146	5.7
62.99054	2.3
67.05497	17.1
67.65045	0.6
69.07058	2.6
69.99102	2.0
71.04971	1.3
71.08629	12.9
73.01137	1.1
76.02221	71.4
76.03986	1.8
77.00614	2.0
79.05504	3.2
81.07056	3.5
83.06104	3.4
83.08594	2.1
84.04492	20.0
85.06512	1.2
86.99059	2.2
87.02669	1.3
88.02208	2.9
89.00610	13.8
97.10154	6.1
97.24490	0.6
99.02663	1.5
99.05585	1.2
99.08089	14.8
103.02147	0.8
107.08572	3.9
109.10145	16.0
110.10449	0.7
114.03675	0.7
116.01665	13.1
126.12784	3.4
127.11189	28.1
128.11519	0.7
129.06584	5.7
130.04988	7.3
138.05525	0.8
141.04781	0.9
141.07326	1.6
142.03186	4.4
144.01131	7.8
151.86009	0.7
153.06540	0.8
159.08376	100.0
160.08688	3.1
162.02182	26.3
167.09009	0.9
170.02695	2.5
179.04839	35.9
184.11523	4.8
185.09859	1.0
187.05354	2.6
202.12575	21.4
215.04765	1.1
233.05893	6.5
245.06013	1.9
287.14209	65.7
288.12204	1.4
288.14951	1.3
291.06415	0.8
305.15363	6.8
308.08960	1.9
313.40829	0.7
341.15341	1.2
359.16290	15.0
434.19522	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.7
55.01878	19.2
57.03441	10.9
62.32037	6.7
64.67980	6.6
69.03415	44.8
69.07063	79.3
73.02943	9.9
81.03419	50.0
81.07057	23.6
85.02899	93.0
87.00824	69.7
93.93607	7.3
97.02883	85.6
99.04462	21.6
104.34102	7.2
105.01883	60.3
108.49670	7.4
109.02867	50.7
118.26457	6.7
123.11724	35.7
127.03928	97.5
132.76909	7.3
145.04973	41.7
151.11179	58.9
159.02873	14.9
201.24982	7.7
231.05011	9.7
284.98181	7.8
326.99069	8.8
373.19675	8.4
374.20215	30.7
399.16217	18.7
405.21643	15.1
434.22260	100.0
434.74039	49.3
435.23593	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01864	2.7
57.03434	31.1
61.02925	14.8
69.03069	1.9
69.03425	33.5
70.01835	1.9
70.02165	1.1
71.01331	3.6
71.04967	2.1
72.96507	0.8
73.02914	64.2
81.03416	7.3
85.02900	100.0
86.03223	1.5
87.04455	2.8
91.03935	3.9
97.02885	57.5
98.23402	1.1
99.04453	4.1
101.86909	1.0
103.03838	0.9
105.07011	10.8
106.14043	1.0
109.02882	8.5
115.03117	1.9
115.03926	35.3
117.07013	1.4
127.03914	31.6
127.04882	1.6
129.07001	1.1
132.06554	2.4
133.04955	10.3
133.06465	1.4
133.10121	1.1
144.06514	1.2
145.04945	49.1
146.05319	0.9
147.08063	2.1
150.07628	5.0
157.05023	1.0
162.07504	0.8
163.06015	25.9
180.08730	1.2
189.09074	1.0
193.04959	1.1
201.09151	2.6
219.10104	1.3
223.05992	3.4
231.10210	1.9
241.06938	4.7
249.11143	1.6
259.08151	3.2
285.13324	4.3
295.10138	2.4
302.15912	1.3
303.05063	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69030	2.4
53.18668	2.0
55.05497	3.2
56.10382	2.1
57.03435	2.8
59.04985	2.3
59.17707	2.1
65.03922	3.3
67.05498	5.2
69.03410	12.6
69.07063	6.1
70.93772	2.7
77.03919	2.7
79.05483	10.6
81.07042	7.8
83.08611	2.8
85.02909	3.5
87.00815	6.2
89.33141	2.6
91.05487	19.1
93.07038	75.3
95.04973	6.7
95.08613	20.5
97.02886	46.3
97.06561	5.5
105.01864	3.8
105.07020	6.4
107.08591	100.0
108.08895	3.4
109.06538	3.6
109.10178	5.6
110.99052	2.7
113.02386	5.2
115.03949	8.0
125.02337	15.4
135.11681	70.2
143.03374	19.5
145.10091	2.3
153.12764	11.8
161.04480	6.2
170.48151	2.4
229.03554	4.2
247.04518	14.1
297.94998	2.5
325.45303	2.4
326.66418	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	434.2171
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
53.03937	2.1
53.50774	2.0
55.01875	4.0
57.03439	5.3
60.04502	2.1
67.05509	6.7
68.05045	2.7
69.03431	3.4
69.26203	12.4
70.06575	3.2
79.05482	7.0
80.05010	4.3
81.07052	5.4
82.06577	6.8
83.04969	2.6
83.79448	1.6
85.02912	7.3
88.03979	3.5
91.05487	5.8
91.82943	1.8
92.04959	3.2
93.03418	3.5
93.07056	9.9
94.06551	4.1
95.04945	3.3
95.08596	7.0
96.04494	12.4
96.08125	3.8
97.02901	5.0
97.06558	2.5
98.06074	3.3
105.01853	2.9
105.07043	7.2
107.04935	4.0
107.08588	5.7
109.06554	3.5
110.06059	26.3
111.08117	2.7
116.03449	2.3
119.08598	8.6
120.04464	3.7
121.06519	5.8
121.10158	4.7
122.06033	5.2
123.08080	4.7
124.03934	8.3
124.07592	12.0
126.05523	5.5
127.03905	3.7
129.06998	2.2
131.08569	4.6
133.06461	2.6
133.10120	8.8
135.08032	3.7
135.11681	3.5
137.09624	7.6
138.05499	65.3
140.07080	3.1
142.05017	2.6
142.07753	3.6
143.08534	9.8
143.32326	2.6
145.06462	3.1
145.10078	4.4
147.08057	7.0
147.11662	4.6
148.03920	4.0
149.09624	3.5
152.07072	12.2
152.10695	5.5
154.05006	2.5
155.08498	2.7
155.10768	2.5
156.09363	4.2
157.10135	11.2
159.08044	2.7
159.11711	6.9
161.09618	8.4
163.03902	3.9
163.11160	2.7
166.04994	18.9
169.10107	6.8
169.12250	4.8
171.11665	22.1
173.09576	5.7
173.13274	2.4
175.11206	8.9
178.08612	3.0
179.08519	2.0
180.06564	7.6
180.10252	9.7
181.10172	4.2
183.11658	4.4
184.06035	30.2
184.12479	2.2
185.09673	4.3
185.13307	4.1
187.11160	4.3
189.09120	3.1
189.12753	11.7
194.10936	3.2
195.11687	2.4
196.09644	2.6
196.12532	2.5
197.09738	3.0
197.13210	4.9
198.07634	9.3
198.10529	2.8
199.11189	18.3
199.14879	6.8
201.12761	2.6
203.10689	2.7
209.13264	8.0
212.12032	4.8
213.12730	15.5
214.13503	22.0
215.14299	6.6
218.11844	2.7
223.14748	2.6
225.12747	3.8
226.07092	18.9
226.10741	5.1
227.14293	21.4
228.17458	6.6
233.13026	2.1
233.15387	2.4
239.14305	2.4
245.15416	5.2
246.11372	2.8
249.16220	1.9
251.14265	2.0
264.12289	12.3
265.16022	4.8
271.06134	3.5
272.06287	4.4
280.11734	2.6
292.11746	4.8
296.16534	6.1
310.12817	6.8
314.17444	3.6
334.18011	4.3
342.17014	7.3
346.16415	3.9
352.19043	21.1
360.17953	7.1
370.16162	1.7
370.20203	14.3
371.20117	2.4
380.18524	6.2
388.21039	2.7
398.19635	32.5
399.19415	2.0
416.20642	100.0
417.20953	8.4
434.21732	51.7
435.22006	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	434.2171
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
54.17228	1.6
55.01875	3.8
55.05516	9.3
57.03428	6.9
60.04521	2.3
62.26011	2.2
65.03944	1.9
67.05495	5.0
68.05029	1.8
68.94202	1.8
69.03429	4.1
69.71642	4.2
69.72018	4.2
70.06595	2.0
72.04504	4.7
79.05477	7.7
80.05016	2.7
81.07039	5.3
82.06564	4.3
83.04969	6.0
83.08595	4.3
86.00614	1.8
91.05476	6.2
93.07040	6.4
94.06546	4.4
95.04968	3.1
95.08606	5.1
96.04472	12.8
96.08120	3.8
97.55264	2.1
98.06045	3.4
98.23439	1.7
100.11227	9.5
105.07031	9.9
107.04926	2.9
107.08604	6.2
109.06470	2.0
109.10136	3.8
110.06033	31.2
111.04439	4.0
111.08098	2.0
115.05405	2.0
117.07005	2.3
118.04982	2.5
119.08551	9.4
120.04438	6.1
120.08060	2.3
121.06498	5.3
121.10148	4.1
122.06062	6.0
123.08040	2.5
124.03960	8.9
124.07613	10.0
125.09658	2.7
126.05476	3.6
127.07641	2.3
128.06224	2.4
129.06993	2.7
131.08508	4.3
133.10103	5.8
135.08035	5.3
135.11673	2.2
136.07524	3.6
137.09625	5.2
138.05490	60.2
139.07539	2.0
140.07094	3.0
142.04941	3.2
142.07764	1.9
143.08539	8.6
145.06528	2.7
145.10114	4.9
147.08035	5.2
147.11708	5.1
148.03935	5.6
149.09612	7.3
151.11194	2.5
152.07068	15.5
152.10675	3.3
153.76448	1.7
154.04997	2.2
155.07132	2.1
155.08507	3.2
156.09349	6.0
157.10106	8.7
159.08144	5.1
159.11652	9.4
160.08766	3.3
161.09612	8.2
161.13252	3.4
163.11160	3.7
165.07172	2.1
166.04999	23.0
168.06506	2.4
169.10103	6.1
171.11682	20.3
173.09633	10.8
173.13208	2.6
175.11137	9.1
178.08614	4.5
179.10721	1.8
180.06573	10.7
180.10216	10.0
181.10086	4.0
182.15410	8.1
183.11662	4.4
184.06004	26.7
185.09592	6.7
185.13283	5.3
187.11186	5.2
189.12759	8.4
191.14270	2.8
195.11679	3.9
196.12427	2.7
197.09673	4.4
197.13416	3.1
198.07635	7.2
198.10374	2.8
199.11153	14.2
199.14816	10.0
201.12851	3.6
203.10690	2.7
207.11644	2.2
209.11485	2.0
209.13237	8.5
209.16306	2.3
210.14891	8.4
211.11150	3.2
212.11899	4.5
213.05302	2.2
213.12715	13.3
214.13487	25.8
215.14232	7.2
223.14813	3.8
226.07114	18.5
226.10724	6.0
227.14285	24.9
228.14436	1.9
233.15398	3.3
234.11212	2.8
239.14326	2.3
244.13222	2.4
245.15372	6.5
246.11234	4.9
253.15918	2.0
263.16476	2.8
264.12228	10.7
265.15790	7.2
267.17484	3.1
268.21494	3.0
271.87729	2.4
274.10660	2.4
286.14291	2.5
292.11771	3.5
296.16599	5.1
310.12906	5.1
314.17523	5.2
324.19431	3.3
328.15518	2.3
330.16934	2.1
331.17661	2.4
331.74597	2.0
334.18195	2.5
342.16962	8.0
346.16696	4.3
352.18948	18.8
353.76077	3.0
360.17947	10.7
370.20166	11.9
380.18457	5.3
388.21149	3.4
398.19489	30.9
399.19864	2.9
416.20642	100.0
417.20905	6.7
417.29041	2.4
434.21643	45.6
435.21890	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	434.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01870	4.0
67.05508	5.0
69.03421	9.1
69.07072	3.7
69.17867	2.6
70.71269	6.0
71.04990	6.6
79.05482	12.5
81.07052	13.4
83.04959	5.1
85.02907	4.5
86.06077	3.3
91.05478	11.2
93.07056	42.5
95.04986	5.4
95.08605	5.7
97.02862	3.3
97.06509	6.3
98.06070	6.2
103.05509	3.3
105.07027	15.5
107.08587	18.6
109.06489	5.1
109.10143	5.6
117.07017	5.4
119.08556	15.6
121.09271	5.4
121.10142	100.0
125.05994	7.2
129.05467	4.4
129.07043	3.3
131.08583	9.2
133.10135	7.8
135.11697	6.2
139.07578	5.4
143.07056	11.3
144.09322	5.1
145.10120	4.5
149.09657	2.6
157.10159	4.1
159.11690	65.3
160.12051	3.7
173.13248	14.6
197.13287	3.2
211.14798	7.8
213.76660	3.0
219.13783	38.3
220.14174	3.0
249.16481	3.1
271.05978	3.5
272.06259	6.7
277.15738	6.1
380.22198	3.5
398.23798	3.7
416.24442	5.6
434.25381	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	434.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89734	3.8
55.01877	11.7
55.05516	5.8
57.03424	9.5
62.08236	4.9
67.05508	4.5
69.03423	21.3
69.07086	6.8
70.06587	23.1
78.17628	5.5
79.05491	9.7
81.03430	10.0
81.07056	16.3
82.02919	5.8
85.02909	31.1
86.06073	43.7
87.00825	7.4
87.04476	13.2
87.21287	4.2
91.05497	10.0
93.07047	11.9
95.04992	8.3
95.08608	11.6
96.04513	4.4
97.02892	14.5
98.06059	65.6
98.23486	11.7
99.04428	5.4
105.01870	6.3
105.07037	14.2
107.08601	11.4
108.04460	10.2
108.08128	18.0
109.02884	17.2
110.04463	3.9
110.06049	18.3
111.08084	4.4
112.07655	4.6
117.06982	7.1
119.08604	17.3
120.08133	6.6
121.06448	4.0
121.10114	4.3
123.09149	4.4
123.11708	19.2
124.07596	11.5
127.03918	20.0
129.07039	6.8
131.08595	13.2
133.10155	10.5
135.08037	4.3
136.07579	42.2
137.09615	16.6
138.05472	6.1
142.07779	5.1
143.08591	11.8
145.04956	13.5
145.10129	17.7
147.08052	6.1
147.11633	5.7
150.09113	22.9
151.11240	10.2
152.07062	17.1
153.07236	4.5
155.08578	9.5
156.09348	5.3
157.10178	20.8
158.10904	4.8
159.02888	12.1
159.08099	5.7
159.11694	18.7
163.11145	9.1
164.07043	46.1
167.08583	6.5
168.06572	6.3
169.10136	11.3
169.12257	8.8
171.08022	6.3
171.11748	11.3
171.40253	3.9
173.13275	19.7
178.08667	10.0
179.08589	8.3
181.10094	10.8
182.08208	8.6
182.10835	8.2
183.11732	12.0
185.09608	4.4
185.13213	5.2
187.11140	6.7
191.14299	6.8
195.11711	13.7
196.09720	15.2
196.12518	10.4
197.13228	25.2
198.13898	5.9
199.11194	4.9
199.14793	5.9
201.12741	16.2
201.16620	3.9
206.08035	4.0
206.10835	10.0
207.11717	6.4
209.13249	5.7
211.14819	47.5
215.14323	6.2
220.12584	6.9
221.13174	25.3
223.11273	10.9
223.14786	8.3
224.09169	26.9
225.12819	7.1
229.15996	7.4
239.14407	19.7
246.14655	4.6
249.16348	26.5
262.13531	4.8
267.17505	8.9
277.15891	45.5
292.15427	7.0
295.16864	13.0
306.18494	6.0
317.27130	4.0
324.19708	11.5
326.17624	11.4
342.20624	45.3
352.22702	5.6
360.21619	17.6
362.21075	20.0
380.22244	51.9
391.13666	25.8
398.08524	4.5
398.23291	71.8
399.23593	5.2
416.24292	100.0
417.17075	5.9
417.24377	8.5
433.71710	9.5
434.25616	72.4
435.12552	32.9
435.17966	20.5
435.24139	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	434.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38738	1.3
53.03959	2.0
55.01867	11.0
55.05507	2.2
56.05047	2.7
56.42650	1.7
57.03440	6.2
62.06086	2.4
65.03936	2.1
67.05503	12.9
69.07072	1.6
69.21223	5.1
69.21632	2.9
70.02949	3.9
70.06591	5.5
72.04518	12.0
74.06082	4.5
79.05503	3.8
80.05019	2.8
81.07051	5.1
82.02946	2.4
82.06590	4.9
83.04980	4.9
86.06075	1.2
86.96245	1.3
88.03975	2.9
91.05495	6.2
93.03411	7.3
93.05762	2.6
93.07042	4.6
94.06559	14.4
95.04968	3.4
95.08636	2.2
96.04502	5.5
96.08147	1.3
97.06525	1.7
98.06045	2.9
105.07022	6.5
107.08583	8.4
108.08121	16.6
109.06531	4.0
109.10168	3.8
110.06048	20.6
112.07571	8.8
117.07017	2.9
119.04960	1.7
119.08574	10.7
121.06518	3.1
121.10139	7.0
122.05135	1.9
122.06019	40.5
123.08059	3.0
124.07596	5.5
126.05511	17.3
126.09148	10.2
128.07089	4.4
129.06961	2.8
131.08582	8.9
133.10156	7.0
135.08043	2.4
135.11729	2.2
136.07562	18.2
137.09589	3.3
138.05505	2.1
140.07057	75.5
142.07686	2.4
142.08694	3.1
143.08554	3.6
143.11015	1.6
144.09245	1.7
145.10120	6.3
147.11694	4.2
149.09586	1.9
152.05948	1.5
152.07062	8.0
154.08618	65.1
155.08511	2.5
157.10066	7.2
159.08098	2.5
159.11662	7.0
161.09569	2.1
163.11185	4.1
164.07100	3.9
165.12753	2.3
167.08643	2.3
169.10060	4.1
171.11664	3.8
173.09627	2.6
173.13271	8.8
175.11180	1.7
177.12753	2.4
180.06566	3.1
181.10196	2.7
182.08122	100.0
183.08351	1.6
183.11714	6.3
184.09712	1.8
185.13289	2.5
187.11206	3.8
187.14792	2.4
191.14372	1.8
195.11725	2.9
196.12512	5.3
197.13246	8.4
197.52025	1.4
198.13997	2.5
199.14885	2.7
201.12694	2.7
203.14403	1.9
206.11819	2.2
209.13293	2.4
210.11211	5.0
211.14798	24.2
215.14407	2.7
217.16019	1.1
220.13313	2.2
224.09254	1.6
224.12799	3.6
229.15903	6.4
230.11838	2.4
237.16319	1.3
246.14919	4.3
247.16989	3.9
248.12785	30.4
249.16315	1.9
250.14346	3.0
260.16589	2.1
262.14291	1.4
267.17459	2.2
284.16400	4.0
288.15796	2.1
300.16333	2.6
300.19583	8.3
307.19135	5.7
314.17627	2.3
314.21146	1.7
318.20740	2.6
328.22617	3.5
338.21121	13.3
356.22205	32.9
356.26395	1.1
374.23227	76.3
375.23611	4.9
392.24432	1.6
433.71753	3.5
434.26035	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Coreopsin
Peak:m/z	Relative Intensity
52.88922	0.5
53.03937	1.0
53.97815	0.5
55.01855	0.9
55.05301	0.6
55.05511	5.8
57.03414	1.2
57.22536	0.5
63.02373	0.5
65.87292	0.5
66.04214	0.5
69.03420	5.6
71.04985	1.0
71.42735	0.6
73.02910	1.2
79.05482	1.7
80.15138	0.5
81.03414	2.7
81.07041	0.5
83.04975	24.4
84.05299	0.6
85.02905	6.7
87.00830	1.0
89.03908	8.4
91.05463	1.1
93.07056	3.6
94.07373	1.4
95.04964	1.6
95.08570	0.6
97.02881	4.0
98.03230	1.0
99.04462	1.0
100.11237	1.6
105.01856	2.3
105.07020	2.8
106.07350	0.8
107.04942	1.6
107.08653	1.4
109.02829	1.2
109.06544	0.6
109.64786	0.5
111.04439	4.3
115.03929	0.7
117.03378	7.2
117.06981	0.5
123.04408	3.6
123.05453	0.6
127.03903	3.2
129.06924	0.8
130.06488	0.6
131.08551	0.6
133.10101	3.8
134.10440	2.1
135.04402	17.0
143.20505	0.6
145.02844	12.0
145.04890	1.4
147.04373	0.8
151.03888	3.8
153.09100	0.8
157.06436	0.6
159.02960	0.9
161.05925	1.4
163.03889	100.0
164.04277	2.4
171.07965	0.6
173.05986	0.9
175.03906	2.0
175.07574	0.8
176.04631	0.7
177.05464	1.0
181.04956	2.2
182.15482	0.7
185.05995	1.2
187.03772	0.5
187.07471	1.5
188.08195	0.6
199.07520	1.3
201.05498	1.4
201.09140	0.8
203.07030	1.5
209.16483	1.0
217.08632	0.7
227.07048	1.9
229.08580	1.6
231.06627	0.7
245.08070	1.9
255.06558	1.2
255.10156	1.0
273.07571	4.5
291.08475	0.8
304.13626	0.6
307.08078	0.7
313.09332	0.7
341.23898	0.5
388.24026	0.6
435.12988	5.0
435.19214	0.8
435.33215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41895	1.2
56.68620	1.2
60.85344	1.2
62.99624	1.1
65.03933	3.3
67.05501	2.6
68.66419	1.4
69.03423	12.6
69.18931	3.2
69.19340	6.3
70.06586	3.8
79.05470	1.6
80.05016	1.8
85.02924	6.8
86.09715	1.9
91.05489	1.8
92.05804	1.4
95.04968	5.2
95.06064	3.1
97.02890	4.7
97.06495	1.2
106.02921	1.4
110.03633	2.7
110.29359	1.2
111.04425	1.3
113.07143	8.1
115.03916	1.2
120.05273	1.8
120.08154	3.2
122.02711	1.5
123.04467	5.4
123.05547	48.4
138.03162	2.0
140.04684	21.9
153.05443	4.5
153.09120	2.1
155.07028	8.0
163.03926	1.9
171.06509	4.7
173.14862	1.2
175.03807	1.7
181.04951	100.0
182.05276	3.8
199.06004	2.9
207.06541	2.6
208.06882	4.6
216.72346	1.2
313.09158	63.3
314.09589	2.5
435.18515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.55010	0.4
55.01865	0.4
57.35865	0.3
59.91196	0.3
65.03940	2.5
67.05495	1.8
69.03064	0.6
69.03425	7.5
78.03442	0.7
80.05014	5.8
82.04188	1.2
83.48087	0.3
84.04519	0.3
85.02914	2.7
86.09698	0.4
93.03395	1.0
95.04967	4.5
95.06080	1.3
96.04478	1.9
97.02869	2.2
97.06518	0.9
105.04513	0.4
106.02909	1.7
108.02085	0.7
110.03642	1.3
111.04412	1.0
112.08720	2.4
115.03886	0.5
122.15953	0.3
123.05541	100.0
124.03934	0.6
124.05896	1.9
125.02322	1.0
125.05981	1.0
138.03091	0.6
140.04672	16.4
141.05209	0.3
153.05434	2.5
155.07010	5.0
171.06514	3.6
177.18800	0.3
181.04939	65.9
182.05342	1.6
184.03668	1.6
199.05969	1.5
215.88380	0.3
313.09146	38.2
314.09540	1.5
366.66519	0.3
416.88977	0.3
435.17834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01855	1.4
57.03409	0.4
60.08491	0.4
65.03930	4.0
67.05497	1.7
69.03429	2.8
70.06593	1.7
70.48322	0.7
71.01349	0.7
73.71479	0.3
77.03869	0.3
80.05006	2.8
82.04189	1.5
84.04459	0.3
85.02892	2.4
86.09708	0.4
93.03381	1.3
95.04931	1.6
95.63728	0.4
96.03844	0.3
96.04462	0.9
97.02881	13.8
97.06510	1.2
102.85897	0.3
108.02065	0.6
110.03632	2.1
111.04414	0.6
113.07117	0.7
113.22293	0.3
115.03888	0.5
116.07067	1.1
120.08109	2.3
123.05534	39.9
124.05816	0.5
125.00021	0.4
125.05948	1.2
135.38760	0.3
138.03099	1.4
140.04652	2.9
153.05431	3.8
155.06984	0.4
171.06512	4.5
181.04929	100.0
182.05243	2.7
183.04303	0.5
191.11801	0.5
199.05855	0.4
199.10593	0.5
224.50296	0.3
225.03835	0.5
233.08116	0.4
258.90390	0.4
313.09106	11.0
314.09503	0.7
435.18250	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.18
Annotation	Ferrugin
Peak:m/z	Relative Intensity
53.08719	0.9
54.58929	1.0
55.05494	1.8
67.05501	3.8
69.03429	5.0
69.07053	1.6
69.67007	3.2
71.04982	1.0
79.05484	1.9
81.07037	3.8
83.04974	1.4
83.08614	1.1
91.05474	5.2
92.39285	0.8
93.07032	3.2
95.04953	3.5
95.08611	3.9
97.10207	0.9
98.98445	4.8
99.04447	2.1
99.06027	1.1
105.07024	5.2
109.02858	6.2
109.10152	2.0
111.91726	1.0
113.00029	2.3
115.05442	7.0
117.06997	12.3
119.04974	1.3
119.08588	1.6
121.06497	15.4
128.06190	2.7
129.06990	4.6
131.04955	1.2
131.08533	1.1
132.05710	3.8
133.06465	5.2
135.04410	7.1
135.08017	1.5
141.06989	1.8
142.07773	2.0
143.08559	1.9
145.06479	43.1
146.07077	1.2
147.04362	7.8
147.07993	2.1
149.06042	1.0
151.07516	2.8
155.08542	1.0
155.93704	0.9
158.07272	2.5
159.04384	2.3
159.08069	3.8
161.05965	30.0
165.07030	1.0
166.07825	1.7
167.08412	1.3
169.06479	5.0
171.08066	2.7
173.05963	26.5
173.09529	1.7
174.06590	1.9
175.07611	0.9
178.07727	1.0
179.08569	1.5
182.07304	3.0
183.08080	3.1
184.08809	1.3
185.05933	10.9
185.09586	2.8
186.06750	6.1
187.07542	2.8
187.11256	2.3
190.07635	1.0
191.07027	3.1
195.08096	3.4
196.08778	1.1
197.05954	3.2
197.09590	5.0
198.06747	13.6
199.07536	15.5
199.11203	1.0
201.09093	12.9
208.08772	1.9
209.09677	3.8
210.06683	1.2
210.10364	1.8
211.07483	6.8
212.08311	13.6
213.09029	7.7
215.08719	1.7
215.10541	4.6
216.09190	1.4
219.11792	1.0
221.09589	1.9
222.10402	2.2
223.07552	1.9
225.09076	12.4
227.10641	2.8
229.08621	2.8
230.09338	7.9
231.07973	1.5
231.10159	2.6
232.08795	2.0
233.09763	1.6
235.07660	1.0
236.08249	1.3
237.09067	3.2
238.09850	5.3
239.10695	2.5
243.10085	6.8
245.09625	1.5
246.10422	2.6
247.11127	2.4
249.09125	2.8
250.09926	1.3
251.10727	2.1
255.10100	18.0
256.08746	1.4
259.11111	1.8
261.12793	1.2
266.59702	0.9
267.10159	3.0
271.11139	1.4
272.08273	1.4
273.12720	1.2
274.09995	1.8
275.10626	2.8
277.08698	1.2
277.12210	1.2
282.10410	1.4
283.11053	1.9
285.09164	1.2
286.09970	1.5
287.06998	0.9
287.10617	2.0
288.11343	1.3
289.12195	14.1
290.12698	1.5
296.11929	1.5
299.10492	4.5
300.11584	1.0
301.12204	2.7
302.09314	1.3
303.10031	2.3
304.10980	1.8
305.11703	3.5
313.12219	1.1
314.13007	3.6
315.10178	3.1
317.11670	13.1
318.12430	4.4
323.10544	1.2
324.11551	1.0
329.12030	1.2
329.15454	4.3
330.08853	1.1
331.13214	2.3
333.11206	3.7
337.27243	5.8
339.13699	4.0
341.11530	1.7
342.12582	2.6
343.13235	3.0
345.11179	3.0
346.78656	1.0
355.13208	3.0
356.13510	1.2
357.14813	12.6
358.15500	4.2
367.12891	1.3
370.11893	1.6
373.14246	2.2
375.15790	7.3
385.14267	22.9
386.14587	3.0
403.15363	20.1
404.15707	1.1
417.16916	18.8
418.17249	1.3
435.17996	100.0
436.18390	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	435.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07966	1.2
54.70710	1.0
55.05500	1.7
57.03428	1.1
58.64241	1.1
67.05497	4.0
69.03420	4.0
69.07061	1.5
69.21864	1.0
79.05480	2.3
81.07061	3.0
83.04984	2.4
91.05476	6.3
93.07054	2.0
95.04927	2.5
95.08602	3.1
98.98484	2.2
99.04456	1.8
105.07021	7.4
107.04971	1.4
109.02880	7.9
109.10140	2.4
112.99990	5.4
115.05429	6.0
117.07011	14.2
117.07730	1.8
119.04900	1.7
119.08597	2.1
121.06487	14.3
128.06172	2.8
129.07022	5.0
132.05699	4.8
133.06483	5.1
135.04391	9.2
143.08553	2.1
145.06473	46.9
145.10149	1.2
146.06914	1.9
147.04385	9.9
147.07957	1.5
151.07526	2.8
155.08508	1.3
158.07271	2.9
159.04399	2.2
159.08089	3.3
161.05971	30.7
161.07314	1.6
164.26852	1.1
165.06937	1.9
166.07747	1.7
169.02586	1.2
169.06496	2.2
169.10219	1.5
170.07198	1.5
171.08116	1.6
173.05971	29.7
173.09601	1.5
174.06775	2.2
175.07545	1.6
179.07068	3.0
182.07245	4.3
183.07983	4.4
184.05109	1.5
185.05980	10.6
185.09612	3.1
186.06728	5.4
187.07491	5.4
187.11151	2.7
191.07031	2.8
195.08086	2.8
197.06006	2.9
197.09602	6.0
198.06735	13.6
199.07532	17.2
200.08195	1.3
201.09087	16.4
201.10808	1.5
205.08548	2.1
209.09631	4.2
211.07486	7.3
211.11209	1.4
212.08270	16.3
213.09039	9.2
215.10599	6.0
216.09303	1.7
218.07114	1.3
221.09694	2.9
222.10403	1.2
223.07568	3.5
223.11237	1.6
225.09120	14.0
227.10693	2.9
229.08556	2.5
230.09258	7.8
231.10165	3.3
232.08817	3.9
237.09071	2.7
237.48877	1.4
238.09813	5.9
239.10683	3.4
243.10173	4.7
246.10378	3.8
247.11511	1.5
249.09116	3.4
250.09787	1.3
251.10732	2.2
255.10120	19.6
258.10358	1.5
259.11188	2.0
267.10089	3.1
271.11084	2.2
272.08447	2.0
275.10611	4.7
282.10168	1.2
283.11142	1.4
286.09839	1.9
287.10641	2.2
288.11609	1.8
289.12177	12.8
290.12836	1.5
297.12646	1.8
299.10629	5.4
301.12097	2.7
303.10068	1.5
305.11652	5.4
312.11441	1.4
313.12338	2.1
314.12888	1.8
315.10013	3.9
315.13416	1.8
317.11667	14.0
318.12436	3.6
323.25873	2.9
328.11142	1.4
329.15271	3.3
331.13312	1.9
333.10986	2.8
337.27393	2.4
339.13733	2.8
341.11661	1.6
342.12576	2.6
343.13461	2.6
345.11252	2.5
355.13266	4.4
356.13712	1.4
357.14716	17.3
358.15430	4.4
367.13242	1.5
370.11536	2.1
373.14282	1.9
374.14847	1.5
375.15894	6.6
385.14285	32.3
386.14151	1.9
403.15457	19.0
417.16803	20.5
435.17990	100.0
436.18536	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	435.1839
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
57.82500	0.4
68.44485	0.4
70.06580	1.0
71.43883	0.6
73.02890	1.0
75.86171	0.4
77.47135	0.6
79.05462	0.5
83.04979	0.6
85.02899	0.8
97.02876	1.7
101.34181	0.4
105.03386	0.5
116.07130	0.7
120.08135	0.6
123.05550	4.6
123.37355	0.5
126.01073	4.4
140.04683	0.5
144.02097	0.8
152.05678	0.5
163.03886	0.7
173.09166	0.6
181.04947	11.5
275.82706	0.5
303.14136	4.7
304.05814	3.2
313.09286	1.8
435.18347	100.0
436.18652	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	435.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.1
57.03432	11.1
67.05502	19.8
70.06580	8.5
79.05514	5.0
81.03416	70.7
91.05480	5.1
95.04966	100.0
95.08604	7.9
105.07024	11.0
112.99988	6.6
119.08608	13.4
121.10132	32.6
122.07102	5.6
123.04436	24.0
123.08060	8.4
131.08591	7.2
133.10130	7.9
147.08035	8.8
159.11659	6.6
163.11217	6.5
173.13246	13.8
175.14862	12.5
187.14832	6.7
191.14351	9.1
193.15933	25.8
201.12865	6.4
243.13741	8.5
259.17020	7.2
273.18323	6.1
279.17786	6.0
297.18295	13.7
315.19684	29.5
346.74323	5.1
348.27902	5.4
421.88177	6.2
434.38110	19.6
435.38739	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	435.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85891	4.9
64.30982	4.8
65.51833	5.1
67.05496	6.0
78.68764	4.6
79.05480	7.6
81.03419	22.2
91.05466	6.2
93.07059	8.0
95.04968	34.6
107.05062	5.5
109.06477	6.9
119.08616	7.7
121.06496	6.4
121.10153	5.4
123.11629	8.8
143.35562	6.1
145.10109	7.7
157.10161	5.4
163.11200	13.7
175.11142	4.7
175.14807	6.5
193.15883	13.3
193.38750	4.8
197.09769	11.1
205.10455	5.9
243.10146	100.0
244.10258	6.3
262.90192	5.9
297.18527	8.4
326.62988	5.8
458.59723	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	435.2508
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03918	3.0
55.01871	3.7
55.05510	21.0
57.03423	9.5
57.07064	8.0
66.07742	2.9
67.05498	61.2
69.07066	18.9
71.08633	3.5
74.06402	2.6
79.05488	16.1
81.07053	59.0
83.08620	17.6
91.05482	13.3
93.07035	18.6
95.08605	47.2
95.24333	3.1
97.10162	8.7
97.10761	3.0
98.22607	5.7
98.98466	77.7
99.08112	3.4
101.68439	2.6
105.07018	9.6
107.08605	12.1
109.06497	11.7
109.10117	15.8
111.24848	2.8
111.71069	2.9
119.08572	10.5
121.10134	11.7
123.11691	10.5
133.10141	6.8
135.11691	7.3
137.13196	5.2
145.10092	3.0
147.11678	6.0
149.13235	4.1
152.78517	2.7
155.01027	15.8
161.13226	5.7
163.14821	5.4
173.02068	14.3
197.02184	5.0
225.30252	2.7
245.22684	8.7
263.23767	23.2
295.68451	3.0
337.27377	100.0
338.27609	5.9
435.29782	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	435.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13591	0.7
57.03425	2.6
57.07075	5.1
57.14924	0.7
67.05492	1.8
71.08627	4.3
71.35939	1.0
81.07050	2.5
83.08617	1.3
85.10178	1.9
92.43270	0.7
95.08596	3.9
97.10184	0.9
109.10143	1.9
113.00010	88.7
123.11670	0.8
140.64188	0.7
169.02600	100.0
170.02977	1.4
178.24178	0.7
184.00829	0.7
230.29420	0.8
293.14697	0.9
306.29874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.8
55.01866	11.7
55.78560	2.0
57.03432	7.6
59.56884	2.3
61.02921	6.6
65.03941	4.4
68.99783	5.9
69.03426	39.5
70.74290	2.1
71.04984	3.1
73.02914	9.0
79.05485	2.5
81.03413	37.4
85.02901	100.0
87.00826	38.6
87.04459	4.1
91.03951	2.4
95.06075	10.3
97.02889	36.7
99.04444	13.7
103.03931	6.2
105.01868	28.9
107.04953	8.6
108.04465	7.0
109.02874	34.5
111.04457	16.5
112.08741	10.1
113.07101	3.4
115.03952	5.3
117.01890	3.1
121.04026	3.3
123.05537	3.5
123.17748	2.0
126.05537	4.7
127.03903	57.6
129.01807	6.3
131.22284	2.1
135.04451	3.8
135.08041	2.9
139.03899	41.8
145.04955	28.6
147.02876	4.3
153.05411	2.5
159.02882	22.1
160.52075	2.1
163.03900	14.3
171.06508	65.5
177.05502	3.9
181.04982	10.1
189.03922	4.6
195.06497	26.1
198.87561	2.6
213.04039	3.0
213.07547	22.0
231.04987	9.6
237.07538	17.9
248.07593	5.6
261.07495	12.1
279.08694	16.8
307.90109	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	436.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18010	1.5
53.76355	1.8
55.01867	14.0
55.05513	11.0
56.05035	2.1
57.07067	7.0
58.99579	9.3
62.99075	9.5
67.05495	11.3
69.07063	100.0
70.02949	2.1
73.01141	2.8
74.00657	15.8
76.02218	7.7
76.03999	4.4
79.05507	2.4
81.07049	4.2
83.06113	5.0
84.04498	42.0
85.01115	1.7
85.04042	2.2
86.99043	6.7
87.02691	36.0
88.02208	14.3
93.07050	5.3
94.06602	10.1
95.04999	2.3
96.04503	3.2
97.02864	4.1
99.02677	3.9
99.04486	2.2
99.05553	2.2
101.04255	5.9
105.07047	1.7
107.08585	4.0
108.08149	2.4
109.10159	6.1
111.11703	12.9
112.03962	16.6
113.03467	1.5
113.04240	3.0
116.01659	41.9
122.06028	17.7
129.06566	13.7
129.34792	1.8
130.04996	56.2
131.04520	2.0
135.11674	4.0
136.07587	4.9
140.07016	7.8
143.08865	23.4
144.01129	18.8
145.06073	11.5
155.11317	1.8
159.08408	18.6
161.09935	28.6
162.02185	82.7
168.06549	56.1
169.10457	12.2
176.32503	1.9
177.03256	8.3
186.13139	9.2
187.11494	21.5
204.14151	8.3
228.93304	2.0
263.16476	2.7
272.13138	41.9
289.15726	12.5
290.14194	50.2
291.14536	3.9
307.16812	23.0
343.17203	2.0
354.20599	3.0
361.17862	28.4
372.21497	11.9
400.21271	4.8
418.22028	7.5
436.21997	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
54.89312	2.8
55.01866	8.9
55.05507	6.4
63.16248	2.5
67.05487	7.5
69.03426	24.9
69.07064	5.8
69.50409	7.4
69.50823	7.0
71.04980	4.9
73.02915	3.4
79.05503	16.4
81.03013	3.0
81.03400	15.9
81.07040	7.8
83.04950	3.6
83.08664	3.1
85.02899	62.2
87.00826	27.2
91.05476	21.0
93.07042	87.6
94.07397	4.4
95.04958	7.6
95.08598	22.0
97.02873	26.8
99.04464	7.4
105.01851	32.3
105.07026	8.2
107.08593	100.0
109.02866	13.8
109.06474	5.5
109.10155	5.0
111.78151	3.1
119.08549	4.1
127.03914	38.3
135.11682	63.8
145.04982	26.0
153.12750	3.6
159.02896	8.2
231.05014	12.0
315.67841	3.2
464.10342	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01867	6.5
55.05502	3.9
57.03439	3.3
61.02919	4.9
65.03927	1.5
65.05479	1.4
67.05486	5.0
68.99784	2.1
69.03423	19.6
69.07050	5.3
69.81078	5.6
69.81461	2.7
71.04993	4.1
73.02921	8.7
79.05482	13.5
81.03410	19.7
81.07053	10.3
85.02897	61.2
86.09698	2.2
87.00817	20.3
87.01260	2.2
90.78613	1.5
91.05480	19.7
93.07035	83.6
95.04965	5.8
95.08597	12.5
97.02876	28.0
97.06518	8.1
99.04442	9.7
101.35104	1.8
105.01860	27.6
105.04490	2.8
105.07033	4.7
107.08583	100.0
108.08904	3.6
109.02866	21.3
109.06496	2.5
109.10150	5.1
115.03946	2.0
117.01850	3.7
119.06081	2.3
127.03911	44.5
129.01830	2.4
135.11687	52.4
137.13234	2.4
145.04948	22.7
147.02916	3.0
153.12717	4.8
159.02852	15.6
189.78925	1.8
201.95818	1.8
213.04178	1.8
231.04890	8.6
283.30917	1.6
304.05569	2.3
307.39371	1.8
459.38174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01862	8.3
55.05506	5.8
60.40191	2.5
61.02918	4.2
67.05499	7.9
69.03423	19.4
69.07067	6.8
69.19942	15.9
71.64227	2.1
73.02911	6.8
78.77468	3.0
79.05472	15.7
81.03409	20.7
81.07043	16.0
85.02895	47.4
85.06552	3.1
87.00819	19.1
91.05465	25.7
91.89887	2.4
93.07034	92.5
95.04960	5.1
95.08593	9.1
97.02887	23.9
97.06529	16.5
98.22771	5.4
99.04463	10.4
105.01851	26.7
105.04521	4.9
105.07027	5.9
107.08578	100.0
108.08913	4.0
109.02869	21.2
109.06494	2.5
109.10146	5.5
113.74361	2.9
117.01902	3.4
119.08528	2.9
120.08036	2.3
127.03900	40.2
135.11678	75.6
137.13228	5.2
142.07791	2.2
145.04924	20.5
153.12627	11.4
158.42049	2.5
159.02841	13.8
168.05324	3.0
168.06497	13.7
170.51248	2.2
200.14308	2.8
231.05025	7.8
249.06105	3.1
422.43665	2.5
428.46869	2.6
436.23514	6.5
437.06796	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.05505	7.0
61.42236	5.3
67.05496	8.0
69.03428	19.8
69.41727	25.2
69.42077	9.6
79.05488	19.4
81.03432	6.9
81.07063	14.7
85.02908	23.3
86.66508	5.5
87.00844	15.3
90.41024	5.1
91.05485	28.8
91.05987	5.9
93.07043	100.0
94.07368	7.7
95.04977	11.8
95.08592	23.8
97.02885	23.3
97.06538	6.3
105.01838	13.9
107.08582	92.8
108.08916	11.6
109.02872	8.5
120.07089	6.2
127.03936	19.5
135.11682	60.7
145.04962	10.7
159.02795	6.1
167.35571	5.8
223.10989	6.1
293.14139	5.9
431.96326	5.6
436.54987	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	436.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.8
57.07080	3.8
67.05505	21.1
69.07059	5.6
69.67699	6.8
70.06599	6.3
79.05489	13.2
81.07050	12.8
83.04982	6.5
83.08622	7.3
88.07622	9.7
91.05463	15.9
93.07044	19.0
95.04965	3.8
95.08604	27.4
96.08932	1.7
96.52480	1.7
102.09209	5.2
103.01874	2.2
105.07024	36.9
105.07734	2.3
107.08597	31.6
109.06521	2.5
109.10150	19.8
111.04439	24.6
111.08086	3.4
117.07033	2.7
119.08576	40.0
125.06033	2.7
125.09631	6.2
129.07040	2.2
131.08563	4.8
133.10121	26.1
135.04428	3.4
135.08037	3.1
139.07571	12.9
143.08582	3.8
145.10133	8.6
147.11668	22.8
153.09103	43.3
155.08549	2.7
156.09442	2.1
157.10146	8.5
159.11685	6.6
161.13306	5.9
163.03891	31.7
163.05081	4.2
166.39357	1.8
170.10878	6.4
171.11682	2.9
173.13193	3.2
174.13626	2.0
183.11702	8.6
185.13243	6.9
189.12729	2.3
191.10696	2.1
193.12265	2.2
201.16420	6.2
203.10646	4.0
205.12274	3.6
207.06506	37.9
207.13841	3.0
211.11214	2.9
214.32698	1.9
217.12247	18.6
219.13638	2.2
229.12236	29.3
229.14395	2.5
243.13861	2.2
256.26334	26.0
299.20029	100.0
300.20404	6.6
418.26154	9.7
436.31021	32.8
437.19559	2.0
437.24683	12.3
437.30768	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	436.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	6.8
58.06587	2.0
59.67444	0.7
70.01054	2.5
70.06588	20.2
71.08608	2.8
88.07626	26.4
95.04970	0.9
98.22807	1.2
102.08526	1.2
102.09177	19.9
103.01828	3.2
110.49303	0.8
120.02055	1.3
135.04398	5.6
147.04399	1.0
151.81668	0.8
153.05453	2.8
160.16624	0.7
163.03883	96.4
163.04999	6.9
164.04245	1.8
191.07019	1.3
207.06508	100.0
208.06876	2.5
219.50935	0.8
256.26334	61.1
257.26639	3.5
316.90063	0.8
436.30563	94.0
437.19498	3.7
437.30856	5.6
443.86380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21497	1.6
58.99577	4.8
67.85990	1.4
69.03421	3.2
70.33716	1.4
79.05503	2.9
83.04993	2.2
85.02911	3.6
87.00839	1.8
88.02214	33.7
91.05491	2.6
93.07032	6.2
95.08610	1.4
97.02878	2.8
99.04428	1.7
107.08617	5.1
108.08987	1.9
111.94086	1.5
121.06509	2.2
126.82305	1.6
127.03897	2.7
134.02718	3.6
135.11699	3.3
136.11964	1.7
145.06482	3.1
155.10712	1.6
156.74045	1.6
161.06059	1.7
167.08557	1.5
172.37991	1.6
173.05910	1.9
182.07410	1.7
183.08092	3.8
189.09103	6.5
195.10449	3.6
210.09163	5.3
211.07639	2.0
212.08344	2.4
213.08946	1.8
215.05292	5.3
222.08951	3.3
223.09850	1.8
224.10701	5.4
225.09123	2.1
225.11237	2.2
227.05260	2.7
227.09314	2.3
229.05466	2.4
234.09137	4.5
235.09875	13.1
236.10590	4.9
237.07838	2.3
237.11450	3.3
238.08612	2.6
240.04765	13.8
240.10176	2.2
241.05574	6.0
242.06371	4.9
245.06163	2.2
251.09332	1.8
252.10242	6.0
253.10994	6.1
255.10344	1.8
256.10599	2.6
257.17517	1.7
258.06055	1.8
258.09521	9.2
260.07498	2.2
268.07962	9.8
269.06226	1.9
270.09491	20.0
280.07874	33.9
285.07999	3.6
286.08945	100.0
287.09143	5.3
298.08902	20.4
348.07050	1.9
419.10953	20.2
437.21979	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	437.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96674	0.9
56.50454	0.9
57.14101	0.8
60.93636	0.9
69.03439	1.6
71.42143	0.9
81.03429	1.4
85.02927	2.2
91.05479	9.6
91.05885	0.8
93.07040	1.4
97.02915	1.4
102.15273	0.8
103.05453	1.5
103.09235	0.9
105.07021	1.4
107.56052	0.9
111.89236	0.8
117.06998	8.8
117.07685	0.8
119.08576	18.4
127.90626	0.8
128.06235	1.9
134.07289	2.6
149.09608	69.1
150.10036	3.0
159.08109	1.7
171.08054	1.5
172.08896	1.9
173.09637	2.8
185.09662	3.9
187.07610	2.7
188.08301	1.1
189.09096	22.1
197.12582	1.0
203.05232	5.1
227.05362	1.8
231.10350	1.4
245.06311	10.4
271.04260	1.4
278.02332	1.1
287.03723	1.8
289.05280	100.0
290.05600	3.7
315.24356	1.0
316.99368	1.0
317.10559	1.1
351.14252	3.9
370.59830	0.9
375.14594	1.1
393.15201	18.8
394.15579	1.9
437.14206	87.6
437.21375	32.9
438.14563	6.9
438.21375	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
65.57366	0.8
69.03434	1.6
81.03403	1.4
85.02910	1.9
91.05474	10.1
93.07026	1.1
105.06956	1.1
117.07011	7.6
119.08560	22.5
128.06264	0.9
129.06650	0.9
134.07280	2.7
145.06508	1.0
149.09602	62.4
149.93851	0.8
150.09915	2.1
159.08037	2.5
161.09566	1.1
164.02161	0.8
171.08070	1.9
173.09590	1.3
185.09624	2.9
187.07582	2.6
189.09077	20.6
190.09402	1.0
203.05237	3.0
225.52298	0.8
227.05283	1.5
231.10175	1.6
245.06293	11.4
271.04233	1.4
287.03629	1.4
289.05261	100.0
290.05603	1.6
337.64374	0.8
351.14157	3.2
375.14233	1.6
393.15143	19.8
394.15363	1.2
437.14133	80.3
437.21301	29.2
438.14426	6.2
438.21060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39561	0.1
58.68366	0.1
63.56334	0.1
70.14070	0.3
84.21629	0.1
88.16287	0.1
93.07017	0.1
105.07036	0.7
115.05504	0.2
117.07018	0.1
119.08560	0.2
124.97800	0.1
128.06212	1.8
133.10091	0.2
143.08553	1.0
145.06450	0.2
146.07269	0.3
155.06001	0.1
161.09547	0.1
184.21510	0.1
189.09091	100.0
190.09415	3.7
215.42859	0.1
229.20499	0.1
437.14432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75494	0.1
55.01856	0.1
57.03427	0.1
65.00897	0.1
67.05518	0.1
68.99758	0.1
69.03414	0.6
71.42187	0.1
73.02906	0.1
81.03412	0.3
83.04988	0.1
83.39017	0.1
85.02889	0.5
87.67188	0.1
91.05479	0.2
93.07021	0.1
95.04957	0.1
95.08587	0.1
97.02876	0.2
99.04435	0.1
105.07024	1.0
109.02869	0.2
115.05418	0.2
115.37717	0.1
117.07027	0.1
119.08564	0.3
121.06532	0.1
123.55975	0.1
127.03909	0.3
128.06216	1.8
129.06976	0.1
131.08588	0.1
133.10107	0.2
135.04436	0.1
141.07094	0.1
142.07733	0.1
143.08565	1.2
145.06462	0.4
145.10123	0.2
146.07248	0.3
147.07982	0.1
149.09624	0.1
155.06026	0.2
157.10121	0.1
158.07231	0.1
159.08025	0.7
161.09612	0.3
165.09117	0.2
171.08043	0.6
172.08865	0.5
173.09619	0.5
174.06784	0.3
185.09608	0.8
187.07500	0.9
188.08311	0.3
189.09090	100.0
190.09419	3.8
204.04771	0.3
213.09065	0.2
225.08998	0.1
231.10149	0.3
232.04288	0.1
316.10086	0.1
317.10468	0.1
333.13211	0.2
351.14270	0.3
375.14246	0.3
393.15250	0.4
419.13388	0.3
437.14368	2.9
437.21353	5.3
438.14856	0.2
438.21509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99167	0.2
66.36732	0.2
68.05029	3.3
69.03417	0.4
70.06588	0.2
81.03426	1.0
81.07051	0.2
85.02917	0.4
86.09702	0.2
89.03910	0.5
95.06090	39.7
96.05811	0.3
96.06421	0.5
99.73715	0.2
107.04951	0.3
112.08765	0.2
113.07127	100.0
114.06757	0.3
114.07507	1.2
114.09124	0.2
117.03359	1.2
135.04411	2.3
144.02072	0.3
145.02838	1.7
163.03900	11.0
164.04276	0.3
181.04886	0.3
191.57295	0.2
275.06662	0.2
288.08514	0.2
307.08200	0.4
309.11636	0.2
332.11325	0.4
390.29825	0.2
437.10986	0.3
437.15494	6.8
438.16052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62012	0.7
56.63562	0.7
65.13545	0.8
78.02556	0.8
79.69177	0.7
93.07030	0.9
102.14905	0.9
103.49239	0.7
107.34094	0.7
119.08589	0.9
134.05922	1.0
165.09108	1.8
169.32217	1.1
189.09090	20.6
194.53984	0.8
209.00919	0.8
254.95752	0.8
352.09344	0.8
408.50525	1.0
421.73068	1.1
436.73697	3.0
437.16345	100.0
437.21637	5.3
437.73071	1.3
438.16507	6.6
438.21329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05510	5.1
67.05520	5.2
68.59476	2.1
69.03429	13.8
69.07066	6.9
69.33785	4.5
69.34190	7.9
71.04975	3.3
72.08144	4.2
73.02879	2.9
79.05495	7.4
79.35396	2.2
80.05004	3.7
81.07053	9.1
85.02898	7.6
86.09697	4.9
87.00819	7.5
87.04476	4.5
91.05470	14.3
93.07018	8.4
95.08603	8.8
97.02892	26.1
97.06584	2.2
98.23409	4.9
101.02386	5.3
105.01846	5.5
105.07038	39.1
107.07394	2.4
107.08588	10.4
113.02357	10.2
115.03913	11.1
117.07014	7.4
119.08572	40.4
120.08083	6.5
121.10143	3.8
123.08064	7.1
125.02357	14.0
125.07098	2.7
129.06967	3.2
131.08568	44.8
133.10135	33.1
135.08017	2.7
143.03398	23.9
143.08557	5.1
145.10097	15.7
147.11671	7.5
153.05479	2.7
156.09332	3.4
158.10948	5.1
161.04475	14.8
171.11726	2.8
173.13260	56.3
175.14815	100.0
176.15173	4.4
181.04909	18.1
189.12688	3.5
191.14313	7.7
204.06599	3.6
210.51317	2.1
211.02260	3.0
223.22905	2.3
229.03447	4.8
247.04510	7.8
291.26965	2.4
332.63013	2.3
420.12848	2.9
437.08920	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75027	0.6
52.45038	0.7
53.10319	0.6
69.03429	2.1
69.38397	2.8
73.02921	1.1
79.13898	0.5
81.03405	1.3
81.61937	0.6
85.02894	2.1
85.10184	0.6
87.00844	0.7
91.05479	2.1
97.02906	1.4
99.04442	0.6
99.81638	0.5
105.07041	1.5
109.02892	0.6
111.05550	0.9
117.07026	1.5
119.08537	3.8
121.06461	0.6
127.03889	1.3
128.06226	1.3
132.89810	0.5
143.08562	1.1
145.10216	0.9
149.09613	9.5
153.34013	0.6
155.14343	1.1
159.07985	2.9
161.09612	1.1
170.15298	0.9
171.08031	1.9
172.08844	2.1
173.09608	1.4
185.09622	3.0
187.07530	3.7
188.08247	0.8
189.09094	26.6
190.09471	1.9
198.14989	0.7
199.15027	0.8
203.05305	4.3
213.09061	1.3
223.14427	0.8
227.10626	0.7
231.10231	1.6
245.06212	1.5
257.15085	4.5
259.16653	1.4
275.16171	1.2
289.05307	11.2
317.09814	0.7
331.73190	0.7
351.14413	1.3
369.15179	5.2
375.14453	1.2
393.15295	3.7
437.14386	16.1
437.21396	100.0
438.15024	1.5
438.21780	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69638	0.4
59.14115	0.4
63.41843	0.4
69.03424	2.8
70.49338	0.9
81.03402	1.4
85.02906	2.0
97.02880	1.2
99.04451	0.5
105.07022	1.5
109.02891	0.9
113.11648	0.4
119.08568	0.9
123.04195	1.1
127.03891	1.0
128.06232	3.0
133.10062	0.5
142.07806	0.5
143.08537	2.3
145.04822	0.5
145.06509	0.6
145.10095	0.9
146.07291	0.7
158.07237	0.6
159.08075	2.6
161.09598	1.1
165.08945	0.5
171.08031	2.1
172.08821	1.4
173.09615	1.7
185.09602	3.7
187.07549	3.7
188.08284	0.7
189.09097	100.0
190.09418	4.6
203.05257	20.1
213.09036	1.0
231.10107	1.6
257.15094	4.7
275.16272	2.2
333.13312	1.5
337.16165	1.1
351.14404	1.4
365.15735	3.6
375.14267	1.0
393.15347	1.3
437.14600	9.8
437.21405	86.0
438.15503	0.9
438.21661	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	437.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
56.96564	37.2
67.05499	4.2
69.03409	1.0
69.07059	1.9
69.80498	0.9
69.80857	2.5
70.06600	1.0
71.04966	0.9
74.97632	0.9
79.05481	4.3
81.03438	0.8
81.07059	6.1
83.04979	1.2
84.96025	4.0
88.71185	0.7
91.05479	1.9
93.07030	2.3
95.04947	2.1
95.08592	2.8
97.06515	1.1
98.23448	0.9
98.97586	11.7
100.71429	0.8
103.05438	0.7
105.07030	2.8
107.08562	2.5
109.10149	2.9
116.98614	8.7
119.01684	1.5
119.08562	2.8
121.06418	0.8
121.10138	1.5
125.09627	0.9
129.06938	0.8
131.08600	1.0
133.10117	1.9
134.99617	4.4
135.08012	0.9
135.11739	1.1
137.02727	3.1
137.68185	0.8
139.20078	0.8
143.00124	2.3
143.08517	0.9
144.10201	1.0
145.10130	1.1
147.11684	1.1
149.02322	2.7
149.09604	0.8
155.03767	1.9
157.10120	1.4
159.08087	0.8
159.11681	0.9
161.01231	2.4
163.11090	1.1
164.41475	0.7
171.11743	1.5
173.13193	1.1
185.13348	1.3
189.12776	0.9
193.04990	1.7
195.06938	1.8
198.49199	0.8
205.05386	1.1
209.04808	1.1
209.08456	1.4
211.14761	1.0
213.05769	0.9
213.07990	0.8
213.12807	0.9
219.06955	2.3
221.08536	1.1
223.75471	0.8
227.07358	2.7
228.23161	1.7
231.06969	2.3
231.10541	1.1
237.07520	2.0
245.08528	5.5
247.10118	1.9
249.11542	2.5
259.06302	1.4
259.11194	1.0
261.11664	1.5
263.09521	2.6
263.13156	1.4
267.12729	1.1
275.20047	1.7
277.07449	2.0
283.13742	1.2
291.12744	1.1
293.11697	0.9
295.13599	0.8
297.04706	0.9
297.13742	4.7
299.13162	0.8
301.14713	2.4
309.14609	1.7
311.13443	0.8
311.16757	1.7
313.13867	1.0
313.18408	0.8
315.14929	11.0
323.13242	0.9
327.16107	2.6
329.17883	3.9
341.17731	8.7
343.15723	1.4
359.18878	42.9
360.19119	2.7
362.34427	0.8
375.22046	2.9
377.19962	100.0
378.20374	6.9
382.20496	1.4
395.21002	54.0
396.21271	4.5
400.21490	3.0
413.22025	8.5
418.22565	1.9
419.20416	1.5
437.21991	66.3
437.34433	2.1
438.22159	3.8
438.28284	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	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49890	6.2
57.03432	12.9
61.37373	6.5
64.45200	6.1
67.05485	7.6
69.07085	5.7
70.63599	12.0
79.05485	23.6
80.94853	8.6
81.07054	100.0
83.05006	8.8
85.06551	8.5
86.18964	6.3
91.05478	11.2
93.07056	8.6
93.63310	6.5
97.06549	11.2
99.04457	6.9
103.73342	5.8
104.99208	6.3
105.07035	6.1
107.08598	19.5
109.06517	29.8
109.10142	21.0
119.08604	15.7
121.10162	11.7
123.08067	9.5
123.11664	6.5
127.07561	16.5
131.01945	5.8
131.08559	15.9
133.10114	13.8
135.07980	7.7
135.11671	15.4
137.09624	16.1
143.08490	9.6
145.10139	25.3
147.11671	8.8
149.02365	8.3
165.12852	10.9
171.11595	10.6
173.09592	8.4
173.13252	27.7
179.10683	10.7
179.51509	7.3
183.11652	7.9
187.11137	11.5
189.12701	10.9
191.14265	60.7
193.04991	10.2
209.15311	9.9
213.12769	10.7
215.14369	34.2
219.13776	8.4
222.16405	6.3
222.69562	6.7
231.13821	11.9
271.17007	8.7
271.20300	7.8
274.72757	6.2
279.01770	7.0
295.67056	7.6
299.20084	47.2
317.21179	32.2
359.22034	8.1
377.23145	47.5
437.19446	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	437.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.8
58.06583	1.9
60.05647	2.1
69.03426	1.0
72.08134	1.2
73.02904	0.7
73.06207	0.5
73.06557	4.6
75.52429	0.3
81.03389	0.5
84.08133	1.4
85.02893	1.7
90.09193	3.7
97.02906	0.9
102.05520	0.5
109.02853	0.5
111.35247	0.4
113.07136	0.4
114.10287	1.4
115.08669	0.7
132.11316	33.6
144.10185	100.0
145.10562	2.6
155.01912	0.8
173.02948	0.8
206.46848	0.4
245.05058	0.9
264.81604	0.5
276.99771	0.4
294.16559	62.0
295.16843	3.2
305.07303	0.5
315.41446	0.4
418.03183	0.4
437.26123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36000	0.5
57.03440	5.6
61.02927	2.2
69.03434	5.4
70.56139	1.3
71.04994	0.7
73.02916	12.7
81.03407	1.5
85.02900	18.0
87.04479	0.7
90.03439	2.3
91.04220	0.6
92.32338	0.7
96.28471	0.5
97.02884	3.1
98.99992	1.5
109.02852	1.2
115.03931	1.2
126.01064	76.6
126.05492	1.5
127.01855	2.0
127.03911	3.1
128.02644	1.6
144.02104	100.0
145.02431	1.6
145.04927	1.7
167.92833	0.6
186.03149	1.1
288.06290	2.1
306.07361	48.3
307.07666	1.6
320.92953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36000	0.5
57.03440	5.6
61.02927	2.2
69.03434	5.4
70.56139	1.3
71.04994	0.7
73.02916	12.7
81.03407	1.5
85.02900	18.0
87.04479	0.7
90.03439	2.3
91.04220	0.6
92.32338	0.7
96.28471	0.5
97.02884	3.1
98.99992	1.5
109.02852	1.2
115.03931	1.2
126.01064	76.6
126.05492	1.5
127.01855	2.0
127.03911	3.1
128.02644	1.6
144.02104	100.0
145.02431	1.6
145.04927	1.7
167.92833	0.6
186.03149	1.1
288.06290	2.1
306.07361	48.3
307.07666	1.6
320.92953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.6
65.74323	1.1
67.05502	8.2
67.55220	1.2
69.03425	5.9
69.46139	6.6
72.80804	1.1
79.05476	2.6
81.03425	2.8
81.07042	3.1
85.02900	7.1
86.64824	1.1
87.00815	2.1
91.05492	2.0
93.07039	2.7
95.04960	1.2
95.08604	12.9
96.34277	1.0
97.02888	9.6
99.54935	1.2
105.01877	1.6
105.07024	16.0
107.04938	2.0
108.05750	2.7
109.02830	2.8
109.06464	1.7
109.10137	10.9
111.04439	4.2
111.67017	1.2
123.08062	61.4
124.08437	1.2
127.03895	6.0
133.06480	23.8
137.09589	3.7
145.05022	1.3
151.07532	100.0
152.07872	2.5
155.10660	14.9
163.03920	1.5
169.08598	3.0
197.30696	1.1
212.91454	1.1
247.09616	1.3
311.11111	2.3
389.56168	1.2
406.59537	1.3
439.14713	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	438.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	3.4
55.05497	3.1
55.69611	1.1
57.03421	2.7
57.39927	1.4
61.02927	3.2
67.05499	31.9
69.03421	20.6
69.07058	2.1
71.04995	3.9
73.02894	2.8
79.05507	1.9
81.03410	17.8
81.07044	6.9
83.04967	1.2
85.02895	42.2
87.00822	19.1
91.05462	3.2
93.07046	5.8
95.04948	4.9
95.08591	15.6
97.02877	14.1
98.23545	1.9
99.04452	9.8
105.01855	21.4
109.02871	21.4
109.10146	69.3
110.10470	1.5
111.68815	1.1
117.01860	1.8
119.08551	8.9
127.03022	2.4
127.03908	29.8
129.01831	1.6
135.28018	1.2
137.09595	27.2
145.02917	1.1
145.04985	6.8
147.02838	1.3
147.04422	1.3
155.10648	100.0
156.10983	2.7
157.43634	1.1
159.02867	4.1
162.07495	1.1
163.03896	10.7
173.11694	7.9
213.03935	7.5
228.93297	1.5
231.04941	7.2
263.12939	2.2
299.14655	1.4
385.14642	1.9
439.24274	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
57.07050	3.4
67.05483	9.5
69.03431	16.4
69.07058	10.5
69.71814	6.7
69.72205	7.0
79.05490	7.1
80.46202	3.4
81.03404	6.5
81.07051	100.0
81.07507	7.1
85.02904	41.6
87.00817	20.4
95.08604	41.2
97.02888	14.9
98.82392	3.4
99.04466	6.4
99.08082	5.1
99.68295	3.8
105.01849	44.6
105.07037	3.5
109.02869	7.0
127.03919	26.2
127.57368	3.2
133.10159	11.3
137.09578	5.4
137.13275	27.8
143.84595	3.4
145.04961	12.4
149.13309	3.3
155.14316	14.1
159.02979	4.7
163.04002	3.3
173.47028	3.3
191.14337	6.3
214.08598	3.0
231.05000	4.1
232.09698	4.0
249.06033	4.8
292.10104	4.7
364.12201	12.5
438.15723	23.0
439.15787	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	438.285
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
56.05028	0.9
58.06596	5.3
61.02916	0.8
67.05492	0.8
69.03418	0.9
69.73582	0.3
70.06582	0.5
70.94375	0.3
70.94699	0.3
71.01337	0.3
71.04979	1.1
72.08156	3.6
75.04469	0.3
79.05476	0.9
81.03416	0.5
81.07050	0.8
84.08141	1.3
84.92045	0.3
85.02905	0.9
91.05484	2.1
91.05972	0.3
93.07037	0.7
95.08646	0.4
96.08150	0.4
97.02935	0.4
98.09710	0.5
102.09168	2.2
105.07015	1.3
107.08588	0.4
108.08117	4.0
109.02864	0.4
109.06503	0.4
109.10122	0.7
114.09189	0.4
117.07030	0.8
119.08603	0.4
121.06541	0.3
122.09644	2.2
123.04411	1.0
123.08081	0.6
124.11229	1.2
125.05916	0.4
127.03902	0.4
128.06201	0.5
128.09625	0.3
128.10669	0.4
129.06938	1.5
131.08557	1.4
132.96353	0.3
133.10106	0.5
135.08063	0.3
137.05940	0.7
140.10683	0.5
141.06946	0.4
143.08551	1.2
145.10136	0.6
147.08005	0.4
151.07518	0.6
152.10709	0.7
154.12256	5.0
155.08560	1.1
157.10132	0.8
158.32944	0.3
159.08095	0.5
165.06961	0.7
166.07828	0.3
167.08546	0.8
169.10175	0.6
171.11754	0.3
172.11090	0.4
173.13351	0.3
174.12822	0.7
176.98880	0.3
179.08551	0.7
181.10118	1.0
183.11702	0.8
186.12851	0.5
191.08672	0.3
191.14305	1.6
193.10114	0.5
195.11717	0.8
205.10138	0.6
207.11646	0.8
209.13484	0.3
213.12733	0.3
221.13264	0.7
233.13193	0.5
270.18576	0.4
294.18640	0.3
304.19592	0.3
317.08313	0.4
324.19583	0.8
328.19101	0.4
338.21179	0.6
356.22229	3.0
360.21722	0.5
362.23138	1.9
370.23746	1.4
388.19812	0.4
388.24799	6.5
389.25317	0.7
402.26324	0.5
419.64920	0.3
420.27426	14.5
421.27740	0.8
438.28482	100.0
439.12027	0.9
439.28842	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.7
57.03436	9.8
58.06086	2.4
67.05505	6.2
67.16562	2.3
69.07060	6.8
69.93259	7.7
69.93604	2.9
79.05482	21.3
81.07059	17.2
81.77477	2.5
83.08609	2.5
86.09717	2.7
91.05492	5.7
93.07074	14.2
95.05016	4.8
95.08620	15.7
97.06550	9.5
105.07036	19.1
107.04955	27.2
107.08585	13.3
109.06525	4.3
109.10176	12.1
119.08572	20.0
121.10144	100.0
123.08047	7.5
123.11701	4.1
125.05984	4.9
131.08582	9.4
133.10123	16.6
135.08043	3.2
135.11717	6.9
143.08609	9.5
145.10127	7.9
147.11661	14.4
149.13322	3.2
155.08659	3.7
157.10178	6.8
159.11671	15.0
161.09627	2.8
161.13289	7.6
169.10176	4.2
171.11740	6.9
173.13269	9.8
175.14793	33.1
181.10133	2.4
183.11812	2.8
184.07298	6.0
185.13293	8.1
186.10440	2.4
193.12306	5.8
193.15891	48.1
197.13255	4.6
199.14853	12.7
203.14308	4.6
211.14856	6.9
213.16403	6.0
217.12225	4.3
221.15302	3.9
227.17986	5.4
241.19644	2.9
245.15401	2.9
255.21120	32.6
265.19556	5.9
283.20465	15.8
301.21613	47.3
315.14731	6.8
361.23822	15.6
364.27768	2.8
393.18973	2.9
420.27975	14.8
439.17850	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	438.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51656	11.3
64.96568	10.8
69.07079	9.8
72.63152	10.5
74.70210	10.5
76.10529	11.6
79.16243	9.9
81.03417	12.1
81.07078	22.3
95.04987	19.0
95.08591	11.2
105.07041	11.9
107.08605	14.3
109.06499	14.5
109.10171	14.3
116.36667	9.8
121.10178	19.6
149.02356	62.1
159.11650	10.8
163.11224	19.3
173.97672	10.5
193.04959	100.0
283.24216	11.1
334.76688	10.7
438.28784	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77077	1.6
55.05510	2.1
55.91395	1.9
57.83195	1.7
67.05505	5.4
69.07066	1.9
70.60108	3.8
70.87686	1.8
79.05487	7.4
81.07056	29.7
83.08642	2.6
91.05484	9.4
93.07050	4.9
93.66824	1.7
95.08610	4.2
105.07028	18.7
107.08596	3.1
109.10170	8.0
117.07040	2.4
119.08574	15.7
121.10180	2.3
129.07030	2.5
131.08545	9.6
133.10165	8.8
142.07793	4.6
143.08572	5.5
145.10147	10.2
147.11681	100.0
148.12138	2.9
157.10130	13.7
158.10931	3.0
159.11703	6.8
168.09404	1.8
171.11681	12.0
173.13272	23.6
175.11227	2.9
175.14819	3.9
183.11674	4.1
185.13245	5.3
186.39880	1.9
195.11662	2.3
199.14812	4.1
201.12737	9.8
203.14284	3.8
227.14081	2.1
235.13347	5.3
255.21048	16.3
265.19391	2.6
269.13617	6.6
283.20560	13.7
357.19852	2.7
378.23657	2.1
397.19742	5.9
438.19666	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	438.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	30.2
67.05505	39.5
68.44633	8.9
69.07064	100.0
74.65508	7.6
79.05489	28.4
81.07053	20.3
83.08607	25.5
89.06022	55.3
91.05485	31.4
95.08604	16.2
97.10168	28.5
105.07043	24.2
107.08600	41.8
109.10132	24.5
111.11721	11.8
117.07023	13.9
119.08611	12.2
121.10121	19.9
125.09658	40.4
131.08572	23.7
133.08604	47.8
133.10094	16.9
135.11620	13.6
143.08549	8.9
145.10152	19.5
147.11705	12.2
149.65919	8.0
159.23262	8.2
161.13277	9.9
168.19125	8.6
171.11691	11.3
189.11223	47.9
204.47188	7.8
239.14908	81.4
239.17343	11.8
257.18982	18.9
264.40161	8.2
275.20059	56.6
398.61090	9.1
455.34512	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	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57499	1.6
55.05503	2.6
57.07074	76.9
69.07065	6.9
69.21480	8.2
71.08629	61.5
71.08949	1.0
71.09032	1.5
73.06540	3.9
74.48318	1.8
83.08627	3.0
85.10173	37.2
85.10639	2.8
89.06028	100.0
97.10157	3.5
99.11751	7.7
108.58234	1.6
110.13099	1.5
111.11716	2.6
113.13277	5.2
124.34435	1.6
125.13228	2.4
127.14810	4.2
133.08597	60.4
151.09676	5.2
177.11227	16.1
179.48004	1.6
195.12283	3.6
221.39221	1.7
239.14877	42.2
317.07822	1.7
421.35284	30.2
422.35321	1.8
422.82397	1.8
449.35959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63529	0.7
54.80497	0.7
59.45552	0.7
69.03421	0.9
70.06570	1.0
70.22961	0.7
71.04959	0.7
71.42680	0.8
85.02898	1.0
93.07042	0.7
95.64342	0.7
97.02890	1.0
98.09679	1.2
105.07021	2.2
123.08055	3.2
126.78026	0.8
133.06438	1.2
151.07507	6.2
160.05089	2.4
162.37636	0.8
163.03906	1.0
191.06795	2.6
192.07716	1.4
196.07271	1.7
227.05307	1.5
271.04346	3.0
277.10498	0.9
335.11163	0.9
353.12021	6.0
377.12155	2.4
395.13080	34.7
396.13519	2.1
404.49808	0.8
439.12082	100.0
439.22244	3.1
440.12329	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	439.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
64.97139	0.6
67.05485	0.8
69.03412	0.8
69.07053	0.8
70.06579	2.4
72.08153	0.8
74.72796	0.6
79.05477	1.1
81.07059	1.4
84.08133	0.9
91.05495	1.3
95.04951	0.8
95.08598	0.9
97.02895	1.0
102.06667	0.7
104.17542	0.6
105.07016	1.3
107.08567	0.9
109.06517	0.6
109.53062	0.6
110.07181	0.6
120.08080	0.9
121.06490	0.6
121.72527	0.6
123.08061	1.8
133.06587	0.7
135.08070	0.8
149.09605	0.6
151.07492	1.0
163.07495	1.1
171.41135	0.5
173.05740	0.8
191.06729	0.9
191.14244	1.0
194.15431	1.7
195.15741	1.2
203.05295	2.6
227.05292	2.4
243.10135	0.8
245.06273	6.3
261.11307	1.2
271.04224	5.9
273.05707	0.6
273.61865	0.6
289.05261	61.8
290.05673	2.1
317.04712	4.4
353.11890	1.0
388.24463	0.7
395.13046	9.5
395.17676	0.9
421.27179	1.7
438.28378	5.9
439.12061	100.0
439.28702	8.2
440.12418	6.1
440.18893	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	439.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
64.97139	0.6
67.05485	0.8
69.03412	0.8
69.07053	0.8
70.06579	2.4
72.08153	0.8
74.72796	0.6
79.05477	1.1
81.07059	1.4
84.08133	0.9
91.05495	1.3
95.04951	0.8
95.08598	0.9
97.02895	1.0
102.06667	0.7
104.17542	0.6
105.07016	1.3
107.08567	0.9
109.06517	0.6
109.53062	0.6
110.07181	0.6
120.08080	0.9
121.06490	0.6
121.72527	0.6
123.08061	1.8
133.06587	0.7
135.08070	0.8
149.09605	0.6
151.07492	1.0
163.07495	1.1
171.41135	0.5
173.05740	0.8
191.06729	0.9
191.14244	1.0
194.15431	1.7
195.15741	1.2
203.05295	2.6
227.05292	2.4
243.10135	0.8
245.06273	6.3
261.11307	1.2
271.04224	5.9
273.05707	0.6
273.61865	0.6
289.05261	61.8
290.05673	2.1
317.04712	4.4
353.11890	1.0
388.24463	0.7
395.13046	9.5
395.17676	0.9
421.27179	1.7
438.28378	5.9
439.12061	100.0
439.28702	8.2
440.12418	6.1
440.18893	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	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.6
55.01864	19.1
55.05515	27.5
57.03423	8.2
57.07066	17.0
59.05003	6.4
61.02939	8.0
65.03947	4.7
67.05506	33.4
68.99780	9.5
69.03423	42.7
69.07059	15.6
69.16975	24.8
71.01342	6.3
71.04984	8.7
73.02906	3.5
79.05486	44.2
81.03416	58.7
81.07053	64.4
83.04979	36.7
83.08612	21.8
85.02898	39.8
85.06535	13.0
87.00811	31.1
91.05470	39.2
92.52869	3.4
93.07037	62.6
95.04965	56.7
95.08596	39.3
97.02887	100.0
97.06528	31.9
99.04446	18.7
103.05484	6.0
105.01910	5.1
105.07025	59.9
107.04958	12.6
107.08594	72.8
109.02888	51.0
109.06511	66.6
109.10145	50.2
109.10818	6.4
110.84798	3.6
111.04433	29.6
111.08083	40.8
113.09579	3.5
115.03931	8.9
115.05460	4.3
117.07005	20.6
119.04929	9.8
119.08575	49.6
121.02841	5.1
121.06496	38.5
121.10135	57.3
122.10489	4.9
123.04449	7.5
123.08058	38.5
123.11712	24.5
125.05984	12.9
125.09638	21.7
127.03902	41.6
127.07480	3.2
129.01883	5.5
129.07002	8.0
131.04897	4.5
131.08549	19.2
133.06503	10.9
133.10117	41.3
135.08049	39.3
135.11710	14.0
137.05956	29.9
137.09628	15.2
137.13261	4.0
139.07520	8.2
139.11206	4.4
143.08566	11.4
145.04956	4.0
145.06467	16.0
145.10115	22.5
147.07999	36.4
147.11707	19.2
149.06004	22.4
149.09598	16.9
149.13240	33.3
150.13557	3.8
151.07521	24.5
151.11162	11.2
153.09065	30.7
155.08597	4.2
156.09360	4.4
157.10139	10.8
158.07263	5.6
158.10933	5.4
159.02859	7.0
159.08096	10.6
159.11668	13.0
161.06009	13.4
161.09604	14.8
161.13205	10.0
163.07553	14.9
163.11172	18.1
163.14822	10.9
165.09109	9.2
165.12738	5.8
167.07027	12.6
167.08469	4.3
167.10637	4.6
167.14372	6.3
169.10133	5.0
171.10152	13.6
171.11658	6.9
173.05992	7.4
173.09645	11.3
173.13239	35.2
175.07605	8.5
175.11223	10.4
175.14812	31.6
177.09103	7.2
177.12766	4.7
179.07040	7.6
179.10663	8.1
181.10056	4.4
185.13248	8.6
187.11198	6.7
189.09105	6.2
189.12692	17.0
191.07025	10.1
191.10745	9.6
191.14301	60.3
195.10146	5.4
197.13330	4.1
199.11285	5.3
201.12755	4.6
203.07132	4.3
203.14240	7.1
205.08589	4.1
207.13815	9.6
209.08022	5.0
209.15338	20.6
211.14861	4.7
213.03902	11.5
213.12798	4.4
215.10706	6.6
215.14326	8.5
219.13786	4.1
221.15282	4.4
224.06326	3.4
225.14847	8.8
227.14348	4.3
231.13736	6.3
233.15392	10.2
239.14185	5.1
243.10347	5.7
243.71498	3.5
245.15393	4.5
254.59361	4.0
257.15298	11.6
261.11212	9.2
275.16409	8.6
281.15274	4.4
299.16470	11.8
313.08859	5.7
317.17505	15.4
335.18466	13.6
353.19528	5.3
377.20117	4.8
403.17380	13.1
421.18542	25.8
439.10968	5.2
439.19675	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
57.03428	11.5
67.05502	72.7
69.03445	39.7
69.07053	17.6
69.41423	34.1
70.06577	15.7
73.02905	10.8
73.35777	7.0
79.05484	11.3
81.03417	20.8
81.07052	22.9
85.02907	35.9
85.06540	17.8
87.00819	10.2
87.14586	7.2
91.05481	14.7
93.07034	34.7
94.07380	16.8
95.08596	12.3
97.02899	32.2
99.04426	8.3
107.08580	16.4
109.10145	59.8
110.07171	8.7
115.43912	7.4
121.06500	25.2
122.06876	12.6
127.03905	22.1
127.11180	30.7
131.08546	18.1
133.10155	13.2
135.08043	20.2
142.89601	9.5
149.05994	24.0
150.06306	30.1
159.63370	7.4
160.79553	9.6
167.07016	70.8
168.07358	52.4
173.13232	17.0
191.14301	100.0
231.04990	8.3
439.11618	20.1
439.20517	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	439.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34998	0.5
55.05506	0.6
59.84219	0.5
67.05507	0.8
69.03416	1.0
69.07063	0.6
79.05480	1.9
81.07050	1.4
85.02907	0.6
91.05470	2.6
93.07047	1.2
95.04964	1.0
95.08605	0.6
102.70602	0.5
105.07002	4.9
107.08601	2.1
109.10137	1.1
117.07003	0.8
119.08567	1.1
121.10167	1.7
131.08534	0.9
133.10121	14.3
135.08067	0.7
137.09601	5.4
149.13272	0.8
151.28177	0.6
151.55386	0.5
161.90909	0.5
173.13300	0.9
191.14273	4.3
203.05246	39.6
204.05559	0.9
207.29381	0.5
257.04440	0.7
259.16675	56.5
260.17001	2.6
285.07452	0.6
315.05231	0.5
323.92734	0.5
324.06055	0.5
439.23038	100.0
440.23456	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	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
52.35940	0.4
52.56749	0.4
69.03445	0.5
69.07086	0.7
97.02869	0.4
108.56493	0.5
117.07068	0.5
191.10489	1.7
202.78357	0.4
203.05258	5.4
209.11435	0.6
225.57201	0.4
228.96100	0.4
233.48523	0.5
234.74161	0.4
242.52473	0.4
259.16751	1.4
371.16727	24.6
372.16904	0.9
421.21988	1.2
439.22977	100.0
440.23303	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	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
61.81226	1.0
66.29650	1.1
68.48389	0.9
69.03401	1.6
69.46179	1.1
71.42944	1.1
74.80376	1.0
81.07042	1.1
83.04969	4.8
83.09164	1.1
85.02901	1.6
90.25700	1.0
91.05492	1.5
105.07027	1.2
112.83759	1.1
119.08550	1.2
119.57532	1.1
121.10091	1.1
129.24442	1.0
129.89023	1.1
135.04420	1.6
165.09134	4.8
189.09248	1.8
190.09386	1.1
191.10818	1.3
203.05298	3.3
203.06998	1.7
203.14445	1.4
215.10652	1.8
243.10078	2.2
259.16769	4.1
266.20132	1.1
277.14175	1.4
405.15323	2.0
439.23041	100.0
440.23181	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	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.0
55.05499	38.2
57.03415	13.2
57.60960	8.7
61.02929	14.5
65.47070	8.2
67.05500	55.9
69.03426	42.2
69.07065	43.2
70.06553	10.6
70.09547	15.9
70.09917	18.5
71.04985	24.9
71.49314	10.6
73.02921	17.9
79.05476	75.6
81.03424	23.4
81.07049	82.4
83.04955	9.5
85.02902	61.8
91.05476	58.8
93.07036	100.0
95.04950	18.8
95.08588	50.9
97.02894	28.9
105.07036	55.9
107.08573	45.5
109.06499	11.7
109.10151	43.0
117.07013	27.1
119.08561	44.6
121.10114	45.1
123.11714	13.2
129.06995	15.7
131.08557	33.9
133.10126	41.0
135.11674	49.3
139.92511	11.1
143.08551	17.9
145.05008	14.6
145.10135	42.3
147.11716	24.1
149.09567	15.5
149.13237	23.1
155.08615	13.1
157.10152	18.2
159.11687	32.4
161.09674	12.1
161.13239	14.8
173.13277	18.7
174.56590	9.5
175.14900	26.9
183.11708	17.6
185.13274	12.5
187.14828	11.0
275.19968	30.1
277.21576	93.1
287.20151	17.5
289.21646	41.3
291.23224	11.9
301.21954	13.4
319.22610	16.9
367.22934	12.8
385.23749	23.7
402.58105	9.8
403.24557	31.0
421.25583	14.4
439.27994	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01869	1.5
55.05260	1.0
55.05505	6.3
55.76091	1.0
57.03435	4.3
65.03939	1.4
67.05515	7.8
68.05460	1.0
69.03423	4.7
69.07066	4.2
69.75971	2.9
71.04985	2.5
77.03927	1.1
79.05492	27.1
81.07055	100.0
82.07379	1.2
83.04982	2.5
83.08607	2.2
85.06541	19.0
87.87312	1.0
91.05453	7.7
92.95882	1.0
93.07033	13.6
95.04948	3.5
95.08608	8.5
97.06516	2.3
98.53889	1.0
99.08108	1.2
105.07022	12.0
107.08587	16.8
107.88177	1.2
109.06516	44.8
109.10137	6.6
111.08086	4.3
117.07014	2.3
119.08584	14.7
121.10141	17.3
123.08075	4.8
123.11691	5.7
125.09657	2.7
127.07552	61.3
128.07970	1.3
129.06999	1.9
131.08588	4.8
133.10129	12.2
135.08060	2.5
135.11685	8.4
137.09605	4.3
141.07089	1.2
142.07767	1.5
143.08585	4.1
144.09250	1.3
145.10107	12.7
147.11678	4.8
149.09659	2.9
149.13280	2.2
151.11191	12.4
155.08495	1.4
156.09341	2.7
157.10123	8.2
158.10880	1.3
159.11667	9.1
161.09656	2.2
161.13232	2.3
163.11166	20.2
169.10147	2.7
170.10803	1.3
171.11710	8.6
173.13239	5.6
175.11221	2.7
175.14842	7.8
177.12720	6.2
183.11722	3.5
185.13217	4.8
187.11273	2.6
187.14792	2.6
189.12741	2.5
191.14304	7.5
192.14917	1.2
193.15865	6.7
197.13219	2.9
199.14786	2.2
200.31352	1.1
201.12770	2.5
201.16473	1.1
202.13557	4.5
203.14331	4.1
209.13280	2.1
211.13158	2.3
211.14961	2.5
212.15399	1.0
213.16344	6.3
215.14293	1.8
219.13841	2.5
220.14618	3.6
221.15340	2.6
223.14838	2.0
225.16360	1.9
227.17995	3.2
229.15819	1.6
237.14726	1.4
239.17928	1.4
241.15852	1.6
245.18933	1.1
255.17343	1.2
255.21037	1.2
257.19141	1.2
265.19516	3.8
273.18298	2.9
283.20523	9.8
301.21585	12.6
343.22675	7.0
361.23730	50.3
362.23987	3.9
379.24692	3.2
402.50342	1.1
421.25815	41.6
422.26178	2.8
439.27151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
57.07064	6.0
60.22411	1.9
67.05491	6.7
69.07060	6.1
71.04979	3.0
79.05494	6.5
81.07050	15.8
89.06019	19.5
90.06357	4.4
91.05486	6.0
93.07053	12.1
95.04955	2.1
95.08601	15.5
102.88074	2.2
105.07052	10.9
107.08591	19.2
109.10133	15.1
111.08095	2.8
119.08569	17.1
121.10152	16.1
123.11687	8.2
127.11136	2.8
129.68649	2.2
133.08620	11.8
133.10127	11.8
134.08931	3.4
135.11656	13.3
136.12468	1.9
137.09599	8.2
145.10037	2.8
147.11685	8.3
149.09625	6.4
149.13264	6.9
151.07611	3.2
153.12735	2.5
157.42174	2.1
159.11659	4.5
161.13222	5.6
163.11115	2.9
165.09113	100.0
166.09425	3.4
173.09593	3.4
173.13300	2.8
173.44937	1.9
175.14772	3.9
177.09131	4.9
177.12769	1.8
179.10693	2.5
185.13255	2.4
187.11276	3.0
187.14799	2.6
189.09097	3.9
189.16287	2.6
190.09779	3.0
191.10675	6.5
191.17950	2.9
203.10648	5.2
203.17905	7.2
205.12234	16.0
213.12636	2.0
216.11386	2.2
217.12308	4.3
231.13730	10.9
239.14890	9.7
240.15184	6.4
257.22690	2.5
263.57230	2.2
271.16913	2.2
348.30069	2.2
421.30710	7.7
439.32114	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	440.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
57.03432	1.1
61.50376	0.9
67.05500	3.0
69.03406	1.4
70.66608	1.7
76.39600	1.1
79.05484	3.5
81.03414	2.9
81.07040	2.8
85.02888	3.3
91.05463	5.4
92.94147	1.1
93.07047	15.6
95.04402	1.1
95.04958	3.5
95.08619	8.9
97.02876	2.0
103.05473	1.7
105.07030	21.4
107.04944	3.5
108.05729	2.7
109.06503	2.2
121.06482	8.8
123.08067	62.3
133.06485	17.3
149.05977	13.5
151.07539	100.0
152.07866	2.0
159.02867	1.2
160.05151	1.1
164.50990	1.1
167.07037	31.3
168.07393	1.2
169.08589	5.0
270.09534	3.9
278.13559	2.3
288.10654	1.7
292.80026	1.1
440.12546	3.9
440.18805	41.2
441.13284	3.5
441.19296	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	440.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87220	1.9
57.03434	9.3
69.03444	2.7
70.10155	3.2
70.12677	2.0
73.02921	2.5
79.05504	6.5
81.03403	4.6
84.04519	2.0
85.02882	5.3
86.09702	2.0
91.05480	17.0
93.07043	51.5
95.04966	12.9
97.02903	8.3
98.23432	2.1
103.05491	3.0
105.04494	3.2
107.04960	3.4
111.08092	2.0
113.09639	5.2
121.06508	30.4
123.03094	2.1
131.10674	3.3
138.87390	2.1
139.07535	3.5
149.05983	58.8
150.06328	3.3
155.63931	2.2
161.04433	2.3
162.09872	2.1
167.07037	100.0
168.07304	4.8
221.42784	1.8
353.12097	4.7
440.13300	3.9
440.18945	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	440.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05507	2.4
57.03435	27.9
59.23626	1.3
61.02915	3.8
63.93993	1.4
67.05484	2.8
69.03417	12.9
71.04995	4.6
73.02913	37.3
78.61007	1.6
81.03419	3.5
83.01295	1.8
83.04982	2.9
83.08631	2.4
85.02898	13.8
87.00767	1.7
87.04478	1.7
95.08602	27.2
97.02885	38.4
98.03235	3.5
105.07035	2.3
109.02892	1.9
111.04488	1.7
113.02375	4.0
113.09647	13.7
115.03925	17.2
117.03392	2.3
119.19437	1.4
125.02357	2.4
127.03899	3.0
131.10669	100.0
132.11000	1.6
133.04991	3.2
133.10144	1.6
135.04424	4.6
143.03400	3.7
145.02849	3.3
145.04942	1.9
161.04453	21.3
163.03900	24.8
164.04478	1.5
193.08447	3.6
208.14096	3.2
244.85228	1.9
265.61719	1.3
273.13235	2.1
441.13361	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	440.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.0
67.05495	9.1
69.07034	3.5
70.06583	14.3
79.05470	4.7
81.07055	7.8
83.04967	5.0
91.05462	6.2
93.07030	4.7
95.04958	8.2
95.08609	8.6
97.06490	3.2
97.48071	2.9
98.22608	5.5
99.04467	5.3
99.08089	5.4
105.07024	7.7
107.08585	10.0
109.06520	4.8
109.10139	3.3
116.01688	3.4
117.07007	4.4
119.08568	17.5
120.37677	3.1
121.06461	4.7
121.10130	4.1
127.07562	4.7
127.39746	2.9
131.08525	3.5
133.06522	3.3
133.10089	14.6
135.08052	12.4
137.09668	4.2
141.43761	3.1
143.08519	7.9
145.06465	4.9
145.10110	14.0
147.08015	11.1
147.11736	4.9
149.09595	8.4
149.13205	3.8
151.07518	4.7
154.08664	3.2
157.10100	6.0
159.08058	4.8
159.11679	3.6
161.09586	13.8
165.09094	7.0
169.10118	4.5
171.08052	4.6
173.09624	10.7
173.13243	7.6
175.07509	6.0
175.11108	7.6
177.09065	15.4
183.11545	3.8
185.09639	5.8
185.13269	4.0
187.11125	12.6
187.14906	3.2
189.09076	100.0
189.12685	6.1
191.06947	6.2
191.14334	11.8
197.09598	8.3
199.11191	5.3
201.09027	10.0
207.10188	18.6
211.11118	6.0
213.12721	5.6
215.10687	9.6
219.10159	7.6
229.12143	9.1
229.16013	4.1
231.13815	7.0
239.10616	4.5
243.10109	14.4
247.09596	7.2
249.14838	10.0
257.11786	8.3
268.13614	5.2
275.12711	15.1
285.11246	24.6
293.50690	3.3
299.16455	11.4
303.12262	41.4
309.14615	3.6
317.17419	7.6
327.15732	22.4
345.16904	32.0
353.15265	5.3
363.18011	23.8
371.16446	3.6
389.19815	3.3
422.20709	22.0
423.20953	4.5
462.94174	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.7
57.03437	33.9
61.02939	11.8
61.51153	4.5
67.05499	7.0
67.11872	4.6
69.03423	48.4
69.07063	100.0
71.01347	6.5
73.02908	78.0
81.03394	8.3
81.07024	5.7
85.02902	93.7
85.03404	5.6
97.02888	58.8
99.04473	8.4
100.07607	8.9
100.11250	25.8
109.02871	8.2
111.11693	38.8
115.03925	44.0
123.73520	4.3
127.03902	29.4
128.07010	5.5
133.04921	13.4
145.04948	42.1
156.13835	13.5
163.05994	14.9
182.15376	13.7
184.13242	10.3
210.14900	16.7
255.15880	6.1
259.08182	8.5
302.94769	5.2
440.23325	38.5
441.24179	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01861	9.0
55.05504	9.2
57.03435	20.3
61.02922	14.9
67.05499	5.2
69.03429	40.1
69.07068	55.0
69.27444	5.6
69.27853	10.7
70.06586	7.0
71.01340	4.5
73.02917	77.2
79.05476	3.9
81.03410	7.5
81.07061	8.1
83.24170	2.9
85.02906	100.0
86.09711	7.8
87.04446	4.4
95.08586	3.6
97.02895	54.4
97.06540	3.2
99.04462	5.1
103.40228	2.8
104.10738	8.0
109.02892	11.3
111.11717	24.1
115.03934	29.7
125.00047	4.7
127.03915	29.5
133.04971	35.6
137.09660	3.1
145.04965	41.2
147.11763	3.7
148.28377	3.0
152.95448	2.7
163.06017	20.2
181.04926	3.7
184.07385	15.6
193.05022	3.3
195.06473	3.3
217.07227	2.9
223.06073	3.5
225.14723	4.4
241.07074	7.9
243.15941	4.1
259.08044	6.5
265.07242	2.9
272.66360	2.9
397.18140	11.8
440.23828	13.2
441.17154	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	440.2639
Annotation	Parsonsine
Peak:m/z	Relative Intensity
53.53234	9.8
54.36875	11.3
55.44902	10.4
57.03424	15.5
57.47412	10.1
57.81827	10.5
67.05495	19.3
67.89190	10.6
69.07059	23.2
70.17840	17.7
70.18176	17.4
71.04986	11.8
77.15570	10.5
81.03422	23.1
81.07030	16.9
91.05500	15.8
93.07018	21.4
95.04942	31.0
95.08598	21.1
97.06503	29.2
105.07037	25.9
107.08562	31.5
109.10138	16.2
119.08554	28.6
121.06515	13.3
121.10123	29.2
123.08063	27.0
131.08585	22.8
132.80219	12.6
133.10120	20.7
135.08044	21.6
137.05968	13.4
137.09531	12.3
141.01083	11.9
143.08409	13.1
147.08051	18.5
147.11674	15.7
151.07501	17.2
151.11163	18.0
154.06831	13.5
157.10077	19.4
159.11647	22.3
161.09608	17.0
171.11607	13.4
173.09581	18.7
173.13251	31.8
177.12767	24.6
191.14299	100.0
197.07976	16.2
197.13127	12.7
209.15402	18.0
215.14415	11.7
219.13727	15.1
269.15411	13.2
275.67450	13.0
313.17935	68.8
317.17590	20.0
331.19064	64.5
335.18329	23.1
345.17056	24.5
352.49698	12.1
363.17886	55.5
371.16397	44.1
391.21100	22.7
422.25195	50.0
423.20355	15.0
440.26126	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	10.5
64.10966	4.7
67.05499	16.7
67.53911	5.2
69.03418	4.6
69.07066	14.2
76.46301	4.1
79.05486	6.9
81.03409	22.6
81.07050	9.5
83.05000	5.5
87.88646	4.8
91.05446	7.0
93.07049	7.5
95.04954	38.3
95.08619	11.8
97.06540	17.5
98.97549	5.2
105.07020	16.3
107.08601	10.6
109.06515	13.7
109.10146	20.2
119.08585	11.5
119.56053	4.0
119.56881	4.7
121.06475	7.9
121.10113	9.3
123.04391	11.6
123.08054	34.1
123.11685	6.1
131.08566	9.1
133.10103	13.7
135.08040	10.9
135.11684	8.7
138.91187	4.2
145.06444	5.5
145.10097	10.4
147.08011	4.5
149.09625	8.9
151.11188	19.9
157.10100	11.6
159.08012	5.2
161.09549	11.1
163.11324	5.0
163.14813	6.1
173.09637	11.1
173.13193	21.8
175.11203	9.2
179.10634	18.1
185.09636	10.7
187.11195	6.6
189.09003	5.3
189.12683	7.4
191.10648	5.6
191.14297	59.5
201.12695	5.4
205.12160	11.9
209.15311	31.9
211.11221	5.7
219.13805	13.9
227.14481	6.4
255.13841	5.1
267.17444	5.3
295.16956	16.9
313.17957	100.0
314.18314	8.3
331.18994	71.4
336.21823	4.8
373.20120	10.7
391.21130	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	440.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.6
55.05503	21.9
67.05499	18.3
69.06703	4.3
69.07063	16.8
70.28263	12.2
79.05483	18.8
81.03423	7.0
81.07050	64.6
83.08595	8.8
91.05483	26.0
93.07033	28.5
95.04971	11.6
95.08598	36.9
97.06513	5.4
98.23445	5.1
99.08056	7.7
105.07021	49.2
107.08611	34.9
109.10139	28.9
114.99596	5.0
117.07005	22.4
119.08569	59.9
121.10130	23.9
123.11671	10.4
129.06999	7.9
131.08560	39.9
133.10118	39.2
135.11667	8.2
141.06996	6.4
142.06804	4.6
142.07806	14.0
143.08528	23.1
144.09294	8.5
145.10104	49.6
147.07982	5.3
147.11679	10.4
154.73068	4.9
155.08490	13.0
156.09355	14.4
157.10103	47.5
158.10504	7.2
159.11699	100.0
160.12044	5.7
161.09587	6.3
161.13231	13.1
163.14853	7.8
168.09312	7.4
169.10130	20.9
171.11653	28.9
173.13255	21.8
175.11264	8.5
175.14793	12.5
181.10089	5.2
182.10954	7.3
183.11685	21.4
184.12471	5.8
185.13203	25.9
187.14766	24.6
191.14357	5.9
197.13243	23.6
198.39665	4.9
199.14742	23.3
205.15898	5.2
211.14856	23.7
219.13643	6.7
225.16425	10.7
255.21069	8.6
267.21063	51.9
285.22073	26.7
345.24228	17.4
391.21021	8.0
432.67810	4.9
440.27188	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.3
64.38729	4.9
67.05500	10.6
69.03429	7.4
69.07063	7.3
73.25965	4.5
79.05498	12.7
80.11121	4.3
80.84102	4.3
81.07054	45.4
83.05013	5.6
83.08623	4.9
85.06557	12.4
91.05475	9.0
93.07036	27.3
95.08582	34.9
97.06515	5.9
98.23605	11.2
105.07035	20.7
107.08584	37.5
109.06490	9.8
109.10133	23.8
113.07204	4.7
119.08578	45.4
121.10142	32.7
123.11720	16.0
127.07520	5.4
131.08569	8.0
133.10132	55.2
135.11697	46.1
137.09631	12.6
144.36691	5.9
145.10112	17.1
147.11693	20.8
149.13304	8.8
151.11186	36.0
151.14812	12.6
153.12691	5.6
157.10175	8.0
159.11720	17.8
161.09517	5.2
161.13277	12.1
165.12727	14.2
171.11635	6.7
173.13235	9.1
175.14832	21.2
177.16389	8.3
185.13231	7.3
193.15869	89.6
199.14693	5.5
203.14362	11.2
211.13235	27.8
215.17729	5.1
221.15340	65.3
267.21045	7.3
285.22122	38.7
303.23132	78.4
332.42099	5.3
345.24170	10.5
363.25269	100.0
440.37082	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66420	11.9
55.05496	32.8
61.75787	8.5
67.05490	52.2
69.07059	37.9
69.77113	33.4
71.04970	13.8
79.05490	34.9
81.07055	64.1
83.08556	10.3
90.27226	9.7
91.05468	44.7
93.07024	76.8
93.51531	8.9
95.08602	82.8
97.10139	12.1
105.07023	100.0
107.08585	72.6
109.10131	55.2
117.07039	18.0
119.08569	85.3
121.10099	25.3
123.11707	23.4
128.22093	8.4
129.06963	10.9
131.08536	31.5
133.10103	55.9
135.11674	42.1
143.08517	30.5
145.10085	83.5
147.11693	58.9
149.13243	37.8
155.08606	12.8
157.10097	34.3
159.11699	62.5
161.13226	42.2
163.11206	14.3
163.14790	13.1
169.10085	20.4
171.11713	43.3
173.13275	36.1
177.12755	15.6
181.79350	10.7
183.11661	25.4
185.13211	33.6
187.14792	39.1
189.16364	16.3
191.14265	14.4
195.11560	10.2
197.13191	30.7
199.14796	27.2
201.16409	14.3
204.05022	9.5
211.14795	19.0
213.16406	9.8
215.17912	82.4
225.16310	23.4
227.17838	10.7
239.17902	13.8
243.21019	25.3
255.21036	32.0
267.21021	69.3
273.21988	11.1
285.22104	42.2
303.23160	22.9
327.23166	19.5
358.20340	15.3
380.27725	11.7
402.08542	12.2
440.29895	11.2
440.35614	16.2
441.22305	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93408	0.9
54.87389	0.9
56.96561	41.2
57.03409	1.0
67.66475	1.0
69.03417	3.8
70.06582	6.0
71.04977	3.8
71.06200	1.5
72.08141	1.5
73.02934	1.5
73.20441	0.9
75.60802	0.9
81.03385	1.2
83.04998	0.9
84.08160	1.0
84.96023	14.3
85.02896	9.0
86.30058	0.9
89.37724	0.9
89.38259	1.0
97.02886	3.5
98.97578	100.0
99.97930	1.1
102.97096	2.3
110.07111	1.3
110.97565	23.5
112.99097	5.4
115.03906	1.7
116.98616	50.3
117.03333	2.8
120.82005	0.9
124.99097	1.8
126.97038	1.4
128.98604	32.4
129.05472	2.9
131.00162	7.4
134.99651	15.5
137.38797	1.1
140.00195	1.1
140.98601	4.0
142.99117	1.7
143.00157	16.1
144.98068	4.1
145.02821	3.7
146.99629	14.9
149.01231	3.5
153.00705	1.2
158.99638	11.0
161.01218	27.6
162.99117	3.6
163.03801	1.2
165.00737	2.1
170.99614	9.3
173.44221	1.1
174.99211	2.2
175.00706	3.0
177.00687	16.1
177.05470	4.8
178.66762	1.0
179.02271	7.3
182.99623	2.3
189.00659	7.2
191.00163	1.3
193.01730	4.7
194.99651	2.0
195.01767	1.7
201.00644	9.3
202.04021	1.1
207.01820	1.8
209.01234	4.6
211.02773	7.1
213.00722	5.1
218.99777	3.7
219.01747	59.6
220.02110	1.6
227.02200	1.7
229.03714	1.7
237.00667	9.7
237.02792	71.2
238.03110	1.9
242.03448	1.2
243.02081	1.0
252.97728	1.8
255.01720	31.3
255.03836	2.1
256.02045	1.3
260.04187	1.0
261.02805	16.8
273.02798	31.9
279.03925	19.7
280.04160	1.3
287.07257	1.9
297.02814	8.4
315.04132	1.7
321.02719	4.1
323.04480	2.4
333.02817	9.5
339.03851	1.9
341.05392	2.7
351.03821	2.3
363.03604	5.0
367.82663	1.2
381.04910	42.6
382.05243	3.5
387.18201	1.1
399.05978	56.9
400.06424	1.8
422.07596	2.9
423.09094	2.4
441.09869	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	441.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10735	0.7
62.22940	0.7
71.03158	0.8
79.30859	0.9
80.10603	0.7
85.02861	0.8
96.19955	0.7
101.42908	0.6
107.48996	0.7
122.91303	0.7
127.00047	0.7
177.01627	2.7
185.04233	1.1
185.68962	0.8
192.03920	22.0
193.04709	8.4
197.43774	0.7
227.05263	2.9
235.15228	0.8
235.34676	0.7
237.03807	0.7
271.04297	3.6
355.09900	6.1
379.10062	1.0
397.11044	36.8
398.11234	1.9
441.10013	100.0
442.10446	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	441.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
60.27489	0.7
63.96157	0.6
69.77483	2.3
73.02905	1.5
85.02908	1.2
97.02888	1.5
121.62778	0.7
127.03910	0.7
131.10686	1.7
151.07571	1.1
193.08348	100.0
194.08658	2.5
203.49693	0.6
207.06433	1.1
222.87914	0.7
227.05249	1.3
271.04276	8.0
355.13437	1.6
397.14755	16.6
398.14944	0.9
441.13528	56.0
442.14066	4.5
444.08972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05502	3.4
57.03435	13.5
61.02924	3.3
67.05486	1.8
69.03426	22.2
70.24757	3.4
70.25092	3.1
71.01334	2.2
71.04629	3.1
71.04993	36.6
73.02915	16.6
75.04490	8.0
77.84120	1.7
79.05515	1.7
81.03404	3.7
83.04972	17.8
85.02901	100.0
87.04473	4.0
95.04980	2.3
97.02879	24.9
102.13655	2.1
111.04440	9.8
113.05994	2.1
115.03931	20.8
115.90302	1.7
127.03909	6.2
129.05473	34.4
133.04964	8.5
139.03880	4.4
145.04950	5.4
147.06517	17.0
163.05881	1.9
171.06551	2.7
202.16287	1.7
210.53084	1.6
225.07565	11.7
230.74861	1.8
237.02852	2.0
243.08623	7.5
269.02356	1.7
279.10553	2.6
391.12018	1.7
441.09958	5.7
459.37024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.7
69.07060	1.1
70.06585	2.4
71.19595	0.6
72.08154	1.1
76.81754	0.6
79.05513	0.9
81.07056	1.0
86.09700	1.8
88.91583	0.6
91.05473	1.2
93.07050	1.8
95.08623	0.8
96.90244	0.7
107.08597	0.7
114.11331	0.6
120.08129	1.8
121.10165	0.8
127.00027	0.8
135.11676	0.7
144.16086	0.6
147.04440	0.7
163.03912	0.8
172.91487	0.8
193.12019	2.3
243.04692	1.2
244.88031	0.7
245.06270	0.9
252.86148	0.7
271.03970	0.6
277.83868	0.7
287.03726	2.4
289.05356	2.3
290.96967	0.7
337.16193	0.9
343.91275	0.6
355.17236	5.3
379.17300	2.9
397.18317	36.6
398.18695	2.3
423.16141	7.9
424.16544	1.1
441.17291	100.0
442.17578	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22202	0.7
57.34138	0.7
62.50378	0.8
69.71091	2.9
86.09707	3.4
93.07046	1.2
95.08582	1.2
118.58363	0.7
185.47046	0.9
193.11986	4.9
201.03731	2.3
203.05240	1.5
227.05316	1.8
242.41060	0.9
243.04741	12.2
245.04131	0.9
245.06181	4.3
271.04224	2.4
287.03720	100.0
288.04053	2.7
289.05292	42.4
290.05756	1.9
306.20154	0.8
308.64072	0.9
314.85114	0.8
389.57587	0.8
390.47330	0.8
397.18292	9.4
441.17300	82.2
442.17657	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36948	0.7
69.03426	1.5
69.07055	2.2
70.06593	5.2
70.93932	1.2
72.08157	2.1
74.06069	1.0
78.95924	0.7
81.07021	0.9
81.79161	0.7
85.02914	1.1
86.09703	30.7
89.03909	0.9
91.05475	0.9
91.53889	0.6
93.07010	1.5
97.02900	4.2
105.11927	0.7
107.08601	1.3
117.03361	3.0
122.33525	0.7
126.05521	2.6
133.10023	0.7
145.02840	7.6
149.05923	0.8
156.54323	0.7
157.13399	1.1
167.03323	1.2
169.13358	1.1
172.63315	0.6
177.05443	14.2
193.11938	5.1
197.09216	4.2
197.12947	0.9
211.14563	0.8
215.10341	2.2
230.56300	0.8
243.04764	1.5
257.14957	1.1
271.04236	1.7
271.73419	0.8
276.07599	0.7
277.82077	0.8
287.03693	6.4
289.05270	3.0
300.19174	3.2
307.62143	0.9
328.18591	3.1
337.16269	1.6
355.17279	7.2
379.17441	1.4
397.18301	55.4
398.18683	2.8
410.25424	1.7
423.16302	7.9
441.17276	100.0
442.17770	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	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
64.36948	0.7
69.03426	1.5
69.07055	2.2
70.06593	5.2
70.93932	1.2
72.08157	2.1
74.06069	1.0
78.95924	0.7
81.07021	0.9
81.79161	0.7
85.02914	1.1
86.09703	30.7
89.03909	0.9
91.05475	0.9
91.53889	0.6
93.07010	1.5
97.02900	4.2
105.11927	0.7
107.08601	1.3
117.03361	3.0
122.33525	0.7
126.05521	2.6
133.10023	0.7
145.02840	7.6
149.05923	0.8
156.54323	0.7
157.13399	1.1
167.03323	1.2
169.13358	1.1
172.63315	0.6
177.05443	14.2
193.11938	5.1
197.09216	4.2
197.12947	0.9
211.14563	0.8
215.10341	2.2
230.56300	0.8
243.04764	1.5
257.14957	1.1
271.04236	1.7
271.73419	0.8
276.07599	0.7
277.82077	0.8
287.03693	6.4
289.05270	3.0
300.19174	3.2
307.62143	0.9
328.18591	3.1
337.16269	1.6
355.17279	7.2
379.17441	1.4
397.18301	55.4
398.18683	2.8
410.25424	1.7
423.16302	7.9
441.17276	100.0
442.17770	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
55.01867	11.0
56.63728	5.7
67.05505	17.1
69.03431	24.3
69.07076	20.6
70.06605	6.6
71.04998	11.4
73.02922	7.7
73.37788	6.2
79.05492	24.1
81.03410	40.9
81.07064	26.7
83.02308	5.5
83.04984	8.8
85.02886	31.8
86.09716	23.8
87.00853	11.0
91.05473	16.0
93.07040	24.1
95.04971	36.3
95.08574	28.2
97.02851	16.6
98.22614	11.3
99.04470	12.0
99.08084	9.6
103.05504	6.6
103.50132	5.2
105.07033	32.9
107.04980	5.9
107.08603	24.9
108.31529	6.4
109.02885	19.6
109.06516	43.5
109.10192	15.0
111.04450	9.3
117.06991	7.6
119.08560	31.5
121.06521	9.5
121.10138	25.5
123.08109	8.2
123.11726	11.0
125.00018	14.6
127.03931	13.8
131.08600	21.1
133.10143	29.0
135.08075	13.0
135.11725	17.4
137.05965	11.6
137.09659	9.4
142.07796	8.6
143.08536	11.6
145.04999	6.5
145.10149	19.9
147.04422	14.6
147.08012	5.5
147.11667	15.9
149.09622	7.5
151.07481	6.8
151.11224	7.0
155.08548	5.7
157.10115	9.8
159.02922	7.8
159.11700	15.7
161.06018	5.8
161.09636	22.7
161.13246	7.3
163.03903	8.9
169.10223	6.0
171.11734	9.7
173.13239	27.5
175.11162	7.6
175.14868	17.4
177.12897	8.8
179.10696	17.0
182.15416	7.2
184.07394	39.9
185.07732	16.3
186.03508	5.7
189.12733	10.6
191.14322	15.2
193.15968	11.3
197.13213	6.8
198.58774	5.5
199.14841	6.7
203.14346	7.5
217.15900	14.4
226.05193	5.9
229.03212	10.3
229.15784	6.0
235.16951	26.5
241.15979	8.5
247.17110	5.6
259.17133	13.1
277.18060	12.2
283.16916	15.7
315.06586	7.1
316.55869	5.8
383.17081	8.1
397.18396	27.3
405.19009	7.0
423.20511	13.5
441.16885	100.0
442.17462	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	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
70.06582	0.7
70.81674	0.8
85.02898	1.1
85.33508	0.5
93.07053	0.6
97.02912	1.2
100.11273	0.7
127.03945	0.5
130.04958	0.7
139.38002	0.5
141.27361	0.5
145.04977	0.9
145.99376	0.6
163.06050	0.6
165.09106	0.7
203.05266	3.9
244.69208	0.5
261.18222	3.8
279.19376	1.3
441.24603	100.0
442.24988	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	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.8
57.03426	3.6
57.07061	4.9
67.05502	13.5
68.48069	1.3
69.03411	1.8
69.07061	18.9
69.43681	4.5
69.44080	2.6
71.04993	2.0
71.08624	10.2
79.05490	8.2
81.07049	22.1
83.04956	3.1
83.08620	8.5
83.25803	1.1
85.06549	2.6
91.05463	8.0
93.07034	13.5
95.04950	2.4
95.08596	20.0
97.06499	3.4
97.10139	1.8
98.22747	2.6
99.08069	10.2
105.07009	8.6
107.08591	15.6
109.06501	10.7
109.10140	9.1
111.08092	3.1
113.17706	1.2
119.08571	9.9
121.06475	2.0
121.10126	10.3
123.08060	34.0
123.08913	2.8
123.11696	5.9
125.05982	2.7
131.08565	3.1
133.10097	8.4
135.08026	8.4
135.11667	4.5
137.09601	4.6
137.13257	2.3
145.10114	2.0
147.11685	5.8
149.09589	3.1
149.13269	4.4
151.14793	1.5
153.12791	6.4
159.11671	3.0
161.09703	1.5
161.13220	2.7
163.11127	1.9
163.14799	2.7
165.12729	2.5
167.14272	1.5
173.13206	2.5
175.14799	3.6
177.12772	2.5
179.14287	48.4
183.68086	1.4
188.59270	1.2
189.16341	2.7
191.14307	3.2
193.15860	3.0
201.32965	1.6
214.01102	1.4
219.17453	1.4
251.20070	12.4
275.20029	3.1
293.20966	9.0
293.28381	2.8
303.26773	13.6
321.27850	1.9
331.26288	54.7
331.30280	2.9
332.26584	3.5
349.27335	58.8
350.27652	3.2
405.29861	4.1
423.31024	100.0
424.31235	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05507	17.9
57.03428	2.7
57.07073	8.3
57.96778	1.8
67.05501	21.5
69.07063	26.0
69.83734	5.1
71.04987	3.0
71.08630	12.4
79.05479	10.2
81.07053	29.2
82.17946	1.6
83.04985	3.4
83.08596	12.8
85.06541	3.5
91.05482	7.6
93.07037	15.1
95.04985	2.5
95.08602	31.5
97.06536	4.9
98.23458	2.4
99.08083	12.7
105.07006	9.0
107.08590	17.8
109.06512	13.9
109.10154	12.9
111.08070	3.5
119.08555	15.3
121.06461	3.2
121.10154	13.3
123.08064	43.1
123.11694	4.9
125.09595	2.5
128.03218	1.7
131.08574	4.2
133.10120	15.4
135.08034	11.7
135.11696	6.2
137.09601	5.3
137.13211	3.0
145.10112	4.8
147.11690	5.7
149.09642	6.4
149.13268	6.5
153.12714	8.8
155.10713	2.1
157.17564	1.6
158.94878	1.8
159.11699	4.9
161.13313	3.7
163.11201	3.2
163.14760	2.8
165.12717	3.3
167.14296	1.8
175.14854	1.7
177.12726	3.3
179.14299	50.9
179.15889	2.9
191.14294	9.6
193.15880	2.1
205.15903	2.0
232.76070	1.9
233.18939	2.3
251.20023	15.8
275.19928	2.9
293.21136	13.3
293.28384	4.7
303.26846	17.8
321.27866	5.9
331.26263	71.9
332.26547	4.2
349.27350	83.6
350.27792	5.8
351.17010	1.8
356.16937	1.7
367.81305	1.9
405.29776	6.6
423.31021	100.0
424.31299	6.7
441.22302	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	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01863	8.5
55.05503	2.4
57.03424	12.9
61.02914	7.0
62.02119	2.2
68.99802	3.0
69.03421	36.5
70.06567	4.8
71.04974	12.5
71.08619	14.1
71.44422	2.9
71.86191	1.9
72.08152	2.3
72.89176	2.0
73.02914	9.2
79.05509	3.1
79.95783	1.8
81.03412	36.9
81.07053	11.9
83.04959	2.7
85.02898	100.0
85.06538	4.5
86.09686	4.6
87.00820	37.9
87.04454	2.6
88.66839	1.9
91.03940	4.2
97.02892	30.4
99.04450	10.2
99.08087	14.3
101.02383	2.2
105.01855	37.6
105.07070	2.1
109.02873	25.9
109.06513	10.0
117.01808	3.3
117.09116	86.7
127.03901	66.6
127.07552	3.7
128.89279	1.6
141.09076	24.5
145.04924	26.8
145.08585	8.5
159.02892	11.9
159.10179	9.1
162.02191	1.9
163.03864	2.8
163.06075	3.1
173.38007	2.1
177.11215	35.0
187.09653	9.1
189.04022	3.4
213.03874	2.4
231.04944	16.9
243.12329	2.9
254.58530	2.1
267.12137	2.7
297.07416	2.2
308.65182	2.5
371.13419	4.9
389.14374	2.6
404.56229	2.3
407.15176	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.76813	0.4
55.05505	0.6
57.03436	10.0
57.07075	17.6
59.05030	0.4
61.02927	3.3
61.42459	0.4
69.03424	7.1
70.06584	0.8
71.01351	1.5
72.08154	0.5
73.02914	21.0
75.04475	1.2
78.44590	0.4
79.53089	0.4
81.03419	0.9
81.07088	0.5
85.02902	11.3
85.06540	23.7
86.06896	0.5
87.04461	0.6
91.03925	0.5
95.08608	1.6
95.67706	0.4
97.02888	14.0
99.04446	0.9
109.02904	0.8
113.09638	27.5
114.09965	0.5
115.03928	9.8
119.97898	0.4
123.08057	0.6
127.03930	3.9
131.10674	100.0
132.11031	2.2
133.04942	2.8
143.21017	0.5
145.04974	3.1
163.06055	0.7
189.59351	0.4
197.69414	0.4
223.06000	1.0
241.07080	1.3
259.08173	0.8
274.93497	0.4
276.31931	0.4
442.20462	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	442.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	36.0
57.07061	0.8
61.02686	0.8
61.02930	9.1
64.17313	0.7
67.05501	1.1
69.03429	26.1
70.92149	1.1
71.01348	3.0
71.04984	2.0
73.02918	62.5
81.03411	2.2
85.02904	34.4
85.10172	2.0
87.04469	2.1
91.03951	1.2
95.08605	25.6
96.12613	0.7
97.02893	47.6
99.04453	1.0
100.48135	0.8
103.48603	0.7
109.02882	3.3
113.09649	11.6
115.03935	35.4
116.04207	0.9
127.03913	13.4
131.10680	100.0
132.11050	2.1
133.04970	8.9
145.04951	11.6
163.06067	4.1
193.05009	1.0
199.89743	0.8
223.05988	4.1
241.07135	3.7
259.08191	2.7
276.60300	0.7
295.10291	1.7
382.14478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	100.0
58.03761	1.6
60.91962	1.1
61.02915	3.9
62.76924	1.0
69.03431	15.2
69.36053	6.5
70.06583	3.0
71.01345	1.3
73.02919	24.4
81.03413	1.7
84.04529	1.3
85.02908	21.1
85.70907	1.0
97.02267	1.5
97.02891	27.9
98.23450	2.6
109.02862	1.5
113.09644	65.1
114.10044	1.4
115.03933	15.7
119.07199	1.2
127.03901	5.7
131.10674	29.5
132.11015	1.6
133.04971	5.2
145.04956	6.8
163.06039	2.4
163.07523	2.2
190.60490	1.3
223.05946	2.7
241.07114	1.3
259.08041	1.8
442.20239	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	442.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97132	1.7
51.06740	1.9
55.01883	3.2
55.05515	4.1
57.03436	3.0
57.07072	2.1
67.05525	3.0
67.72831	1.6
69.03421	1.9
69.07068	12.4
69.49231	7.1
71.04996	2.1
74.33679	1.9
79.05505	4.6
81.07051	6.0
83.04964	6.3
83.08634	3.0
88.97998	2.0
91.05486	7.4
93.07043	11.3
95.04974	4.5
95.08606	5.0
97.02879	12.2
97.06532	14.5
99.04429	1.8
105.07020	10.0
107.08584	21.0
109.06499	6.0
109.10172	6.6
111.04432	6.1
113.37604	1.8
119.08578	13.4
121.06427	2.1
121.10146	16.5
123.08059	5.9
123.11713	7.6
131.08566	12.8
133.10121	14.5
135.08040	7.5
135.11682	8.3
137.06004	3.1
137.09572	3.7
139.03911	5.8
143.08568	5.8
145.10124	7.2
147.08017	2.9
147.11699	6.8
149.09607	8.5
149.13260	12.0
151.11169	3.2
155.07132	2.0
156.09306	2.2
157.10172	6.3
158.10892	2.3
159.08084	3.9
159.11693	3.5
160.07658	1.9
161.09612	8.9
161.13174	2.1
163.14799	12.8
167.07021	3.8
169.10121	4.2
170.15430	2.2
171.11679	7.0
173.09595	4.2
173.13254	22.3
175.11217	4.7
179.10666	7.3
181.08546	4.5
181.10104	2.7
185.09552	3.7
185.13289	8.5
187.11188	4.4
189.12669	4.5
191.14294	100.0
192.14610	3.2
194.10872	1.9
195.11623	2.4
199.11308	5.2
199.14864	2.4
200.69000	1.9
201.09070	2.9
203.10719	4.3
203.14288	3.2
209.13354	3.7
209.15242	2.7
211.11075	2.2
213.12727	9.0
223.09479	3.3
227.14342	5.5
231.13791	4.8
241.15900	4.7
245.11673	3.7
245.15390	6.3
251.14143	2.3
253.16064	2.2
269.15387	8.3
287.16498	7.0
305.17310	3.0
311.16345	3.6
329.17438	22.0
347.18512	50.7
348.19077	2.9
365.19580	12.2
389.19742	2.8
442.17682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90166	1.4
51.07177	1.3
52.62227	1.2
53.03950	2.6
57.03436	25.5
57.07076	2.2
59.04992	1.9
61.02925	14.4
69.03426	30.2
70.35735	1.9
70.36050	2.1
71.01363	2.4
71.04983	3.4
71.08621	2.9
73.02911	49.3
81.03435	6.7
85.02900	100.0
87.04456	2.8
91.03936	6.2
96.26367	1.4
97.02888	50.0
98.03252	1.2
98.23380	2.0
99.04446	4.2
101.74937	1.2
107.08765	1.3
109.02868	11.5
115.03923	32.0
127.03915	31.7
129.62807	1.4
133.04951	12.2
145.04948	48.2
146.05252	2.0
150.41736	1.3
163.06007	34.6
193.04930	1.9
223.06058	4.7
241.07036	3.3
259.08102	3.3
334.70630	1.5
429.58759	1.6
442.24991	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	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.2
55.01872	2.1
57.03437	23.9
57.07098	1.1
59.05005	1.3
61.02923	11.6
62.73765	0.9
69.03427	32.2
71.01350	3.3
71.05015	1.4
71.08623	2.3
71.42285	0.9
72.04602	0.9
73.02499	1.8
73.02589	1.0
73.02916	47.0
81.03403	5.8
85.02904	100.0
87.04474	3.0
91.03967	3.7
97.02890	50.1
99.04470	3.1
103.03966	2.4
109.02878	8.6
115.03930	30.5
115.04709	2.0
126.29589	1.0
127.03913	27.8
133.04964	9.3
140.52499	0.9
145.04959	48.6
146.05330	1.5
150.07587	1.7
157.05025	1.0
163.06021	28.1
223.06076	2.5
241.07114	4.4
259.08154	3.6
295.10236	1.1
305.30411	0.9
370.24478	1.1
399.19992	2.2
442.18192	1.1
442.24915	4.0
443.18991	6.3
443.24231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
57.03434	23.7
57.07063	1.3
57.99933	0.9
59.05000	1.1
61.02926	9.1
63.70185	0.9
69.03064	2.1
69.03426	34.7
70.33647	1.9
70.33984	1.7
71.01341	2.1
71.04982	2.4
71.08625	2.8
72.04493	1.0
73.02914	45.7
79.05496	1.0
81.03429	4.9
85.02899	100.0
87.04444	1.8
91.03945	3.2
97.02886	50.1
99.04458	5.1
101.02372	1.4
103.03935	1.3
108.53104	0.9
109.02862	9.7
115.03922	30.7
127.03909	30.4
132.06616	1.6
133.04964	8.7
143.08549	1.6
145.04951	50.3
146.05310	1.3
150.07597	2.6
162.07530	1.5
163.03947	1.1
163.06009	29.1
193.04991	1.6
223.06013	3.7
241.07072	3.6
259.08087	2.3
293.19666	1.7
295.10257	1.0
335.00653	0.9
442.24792	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	442.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	10.7
55.05506	12.2
56.05569	7.1
57.03431	24.6
57.65636	7.8
59.04995	37.8
63.27893	7.0
64.59798	6.7
67.05492	26.5
69.03421	10.5
69.07068	14.7
69.77283	24.8
71.04994	9.4
79.05486	15.3
81.03410	42.6
81.07056	21.8
83.04953	7.1
85.06506	7.9
91.05478	8.9
93.07044	35.5
95.04956	53.5
95.08592	34.5
98.22770	14.9
99.04442	36.0
105.07019	34.1
107.05006	7.6
107.08590	35.5
109.06507	24.2
109.10151	21.1
111.04337	7.3
111.08058	7.7
117.06996	9.6
117.09116	10.1
119.08573	69.8
121.06504	13.7
121.10143	100.0
123.04442	20.9
123.08055	34.2
125.05974	8.2
127.03890	17.4
129.06998	9.8
131.08534	21.5
133.10097	41.3
135.08035	18.7
135.11700	31.7
137.09644	7.5
137.13293	8.1
141.05405	7.9
143.08589	9.0
145.10092	22.2
147.08020	15.1
147.11647	17.4
149.09621	8.8
151.07538	9.1
155.08530	7.7
157.10092	20.0
159.08072	9.0
159.11682	74.2
161.09654	11.8
163.11182	60.6
169.10066	17.2
171.11705	18.9
173.09694	11.2
173.13255	31.3
175.11183	9.7
175.14775	53.3
177.12733	17.1
181.10197	7.7
183.11687	15.5
185.13202	11.1
187.11180	17.0
189.12732	10.4
193.15880	67.5
197.08066	11.8
197.13203	19.7
201.12675	20.7
203.14326	19.0
211.14783	20.2
213.16492	9.0
215.14290	20.5
221.15366	8.1
229.15794	7.6
241.15779	12.9
253.15909	10.9
289.18079	15.1
297.18564	36.7
311.16544	12.9
315.19510	99.8
333.20593	60.1
347.18518	51.1
351.21558	42.8
365.19458	78.1
375.21548	50.7
407.20557	14.9
424.27042	72.9
425.21906	36.8
442.28082	98.4
443.19843	14.5
443.28235	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	442.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.8
57.03428	7.1
57.66042	1.8
63.78675	2.0
67.05497	11.7
69.03410	4.8
69.07035	4.7
69.78834	2.1
69.99517	2.7
69.99873	6.4
71.42391	2.3
75.71082	2.1
77.72282	2.3
79.05476	4.0
81.03416	31.9
81.07046	7.1
83.04978	3.0
91.05470	7.8
93.07046	13.2
95.04964	55.3
95.08610	11.2
97.06530	2.7
97.95699	2.0
98.22817	3.2
105.07057	10.5
107.08580	17.2
108.04487	2.3
109.06523	10.3
109.10171	5.3
111.08089	2.6
113.06032	3.0
113.09599	2.4
117.07011	2.3
119.08575	18.7
121.06483	9.3
121.10133	38.4
121.53578	2.0
123.04456	14.3
123.08044	24.0
125.09646	4.1
131.08531	5.9
133.06503	3.0
133.10132	15.1
135.08043	7.4
135.11647	10.8
137.09593	4.5
138.84575	2.4
142.07762	3.8
143.08492	3.8
145.01193	2.2
145.06496	6.5
145.10118	13.5
147.08047	5.8
147.11693	5.9
149.09612	6.6
157.10126	7.7
158.10905	2.3
159.08092	3.1
159.11656	11.7
161.09604	9.3
163.11171	46.3
163.45055	2.2
169.06500	2.0
169.10106	3.8
170.10892	2.8
171.11671	11.7
173.09618	7.7
173.13264	14.9
175.11134	4.2
175.14821	18.5
177.09102	3.4
177.12752	11.7
181.09993	3.0
183.11646	6.6
185.09584	4.7
185.13223	4.4
187.11145	6.3
187.14804	3.0
189.09024	4.5
189.12761	3.5
191.14310	4.0
193.15796	14.7
197.13177	10.0
199.11150	4.3
199.14839	3.7
201.12735	8.4
203.10548	3.1
203.14296	9.7
211.11220	2.8
211.14796	4.7
213.12773	5.2
215.14282	5.8
221.15329	12.6
227.14265	4.4
229.12193	3.2
229.15845	7.5
229.85689	2.1
239.14258	3.0
241.15800	6.2
245.15466	2.5
253.15923	2.5
269.19016	9.6
271.17023	2.7
279.17480	10.4
297.18475	39.7
315.19537	100.0
316.19928	6.5
333.20547	45.5
334.20987	3.6
365.23203	9.9
375.21658	64.0
376.21732	3.1
378.24173	4.6
393.22592	2.1
396.25278	4.7
424.24521	2.4
442.25870	9.9
451.12827	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.1
57.07058	11.4
61.02916	3.0
69.03413	4.6
69.39500	12.0
70.06577	2.9
73.02913	13.8
74.03230	2.9
85.02895	7.0
85.06548	15.0
97.02885	7.7
97.39960	2.0
110.43301	2.3
113.09636	12.0
114.09990	4.6
115.03914	5.3
124.73441	2.0
131.09792	3.6
131.10674	44.4
132.10982	18.9
145.04913	2.8
152.70865	2.3
161.88124	2.1
163.03900	6.4
211.71149	2.3
223.03952	2.3
365.06506	3.4
383.07333	81.6
384.07690	7.9
399.11783	3.0
443.09454	100.0
443.14603	5.0
443.19608	3.9
444.09818	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	443.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38064	4.4
73.02917	1.0
85.02921	1.0
91.05465	1.1
105.07057	0.8
110.02415	1.1
116.41869	1.0
127.00017	2.8
128.03418	0.9
133.06476	1.0
151.07564	1.2
167.03125	1.4
185.04205	2.0
195.09908	59.3
196.10435	1.1
201.03699	3.5
224.78984	0.8
227.05270	6.2
233.06369	3.4
271.04224	29.0
271.07196	1.5
351.10663	1.5
357.15176	2.0
383.13086	19.4
384.13239	0.9
399.16254	16.5
404.67905	0.9
443.15192	100.0
444.15506	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	3.3
55.04237	2.9
56.61039	0.7
56.96556	1.6
61.63523	0.6
69.03434	1.7
70.06584	2.6
70.15183	1.0
70.15526	1.5
72.08142	0.9
80.05025	1.0
81.03390	1.2
81.04073	1.4
81.04534	20.2
81.05010	1.3
82.05318	9.3
84.08141	0.9
85.02874	2.4
97.02882	1.0
98.97566	1.0
108.05585	1.4
118.94440	0.8
119.01900	0.9
122.07146	100.0
123.07928	90.1
124.08270	1.4
127.03943	1.0
128.98645	1.0
136.06238	0.7
144.04781	1.0
160.04239	2.7
165.07733	4.0
172.04271	1.5
177.05443	1.7
222.65732	0.6
251.02382	0.7
269.03381	2.9
281.10638	58.4
282.10962	2.6
287.04376	2.0
323.11658	0.9
372.02838	0.7
443.15936	78.6
444.16141	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19633	0.3
51.68300	0.2
52.19163	0.2
56.05019	0.3
57.05786	0.2
59.34529	0.2
60.04512	0.3
60.05352	0.4
60.05648	6.4
60.73624	0.2
69.07063	9.0
69.50551	0.4
69.50938	0.6
70.06588	19.4
70.96601	0.2
71.04992	0.5
72.04487	0.2
72.08155	1.4
86.09699	100.0
87.10019	1.5
98.06069	0.2
105.07038	0.2
112.08717	3.6
113.07117	0.5
114.10294	0.7
115.08679	3.7
116.07084	8.1
128.10713	17.9
128.11719	0.8
129.11105	0.5
130.09753	2.7
131.11836	0.4
133.09750	0.8
155.11786	0.3
156.10173	1.4
156.11305	7.5
157.10852	0.7
158.09242	7.6
171.27667	0.2
175.11894	16.9
176.12271	0.3
183.14954	0.3
185.10298	0.3
191.02473	0.2
199.18028	0.4
213.15611	0.2
226.15506	0.7
228.17145	0.3
229.15512	0.5
251.17757	0.4
253.16516	0.4
269.18591	1.0
271.17621	8.6
288.20248	0.7
401.27927	0.3
425.28873	0.5
437.75732	0.2
443.29736	71.0
444.30002	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	444.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58776	1.0
53.03942	2.2
64.51582	0.9
67.05505	1.1
70.64587	1.2
71.33622	1.7
74.82083	1.0
76.46732	1.0
79.05489	1.3
83.04953	1.1
91.05498	3.5
95.04959	17.7
105.07030	3.8
108.04501	1.0
109.02876	100.0
110.03198	2.4
111.04449	2.1
117.07040	2.4
119.08576	17.3
119.84637	1.2
121.06486	1.3
129.07053	1.4
132.05713	1.4
135.08047	4.2
142.03247	3.1
145.06461	1.2
147.08043	33.9
154.05005	1.6
154.07855	1.2
164.02917	2.6
172.08829	2.1
175.07538	17.8
179.05238	4.9
182.07216	1.3
186.02151	5.1
186.10213	1.2
187.11183	1.5
188.08322	1.3
196.08917	1.8
211.11128	1.8
215.10664	21.6
216.11092	1.3
225.09035	1.3
226.10078	1.4
229.12233	8.7
233.97588	0.9
239.10783	2.3
242.09343	4.4
243.09778	1.2
257.11731	43.7
258.12100	2.7
289.08948	2.8
345.60080	1.0
359.02948	1.1
385.26294	1.1
432.71533	1.0
444.25589	2.3
444.31735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.8
55.08994	0.8
56.50444	0.8
57.03434	11.8
61.02910	3.9
69.03421	13.3
70.06580	2.6
70.56180	2.0
71.01345	2.1
72.08147	3.1
73.02911	23.3
73.04761	1.4
73.06548	100.0
74.06876	1.2
74.61090	0.9
76.87885	0.8
81.03408	1.1
83.04983	1.9
85.02403	1.5
85.02893	19.7
86.09696	2.5
87.04462	1.0
91.03932	1.1
91.05774	1.3
97.02885	19.7
97.07674	1.2
102.61066	0.9
109.02875	2.6
114.10299	2.6
115.03922	14.9
115.07558	68.2
119.79144	0.8
125.81557	0.8
127.03904	6.2
133.05008	4.9
133.07576	2.0
133.08592	39.7
145.04967	5.9
151.03897	7.3
163.05977	2.1
184.52296	0.9
190.09398	0.8
223.05896	1.9
241.06917	1.3
249.97348	0.9
259.08084	2.3
282.14490	4.0
359.02762	1.2
444.19727	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	444.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.3
55.02131	4.5
55.05509	27.0
57.03416	4.7
63.05029	4.3
66.65705	4.6
67.05500	68.2
69.03421	5.6
69.07066	52.5
69.50122	4.2
71.05007	8.7
71.42307	4.6
79.05485	75.6
81.03428	11.1
81.07053	100.0
83.04967	7.2
83.08582	11.3
87.70033	4.7
91.05474	68.3
93.07042	70.8
95.04967	28.5
95.08598	39.9
97.06531	23.8
97.10165	7.0
98.09721	5.1
105.07033	63.0
107.04939	10.9
107.08593	43.6
109.06535	7.6
109.10148	15.5
111.08067	8.9
117.06982	23.4
119.08574	50.5
121.06515	9.6
121.10149	24.9
123.08052	15.8
129.07011	11.1
131.08583	32.8
133.10097	37.5
135.08037	10.7
135.11690	41.4
137.09625	7.7
143.08513	6.8
145.10098	23.3
145.65427	5.0
147.11656	23.6
149.09616	21.0
149.13315	23.4
157.10072	6.0
159.11641	28.4
161.13258	6.6
163.11160	18.4
173.13254	9.3
175.11203	5.2
177.12769	7.7
179.14270	6.8
181.12230	28.4
187.11177	5.8
193.12204	5.0
195.13806	17.6
207.13852	6.7
210.25868	4.6
221.88208	4.9
239.17963	9.2
246.95383	4.7
247.20540	11.0
257.18951	11.3
275.20013	78.8
276.20483	8.0
340.55167	4.8
391.21451	5.3
445.18271	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	445.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89215	1.1
56.96287	1.9
56.96558	32.4
59.68450	1.0
65.32768	1.0
69.03426	1.0
70.06580	8.6
71.92263	1.0
72.08141	3.0
73.04752	15.0
84.08125	2.2
84.96024	11.7
86.09674	5.1
91.05788	32.8
98.97571	76.6
99.97954	1.4
102.97044	1.9
109.43616	1.0
110.97560	19.2
116.98604	33.0
121.06491	3.2
124.99094	6.7
126.97037	1.5
128.98599	23.6
129.10237	1.1
131.04897	10.4
134.99649	8.2
143.00137	14.6
144.98079	3.2
146.99634	10.4
149.04520	2.5
149.05974	3.2
151.00685	1.6
152.98579	2.2
153.00699	1.1
153.02222	5.1
158.99635	14.6
161.01205	10.4
162.99121	1.5
163.00517	1.1
163.03831	1.2
165.00758	1.5
165.34013	1.0
167.05556	16.4
169.01727	1.7
170.99617	2.8
171.03249	7.3
177.00719	14.9
177.02150	2.0
179.00168	6.2
179.03789	4.7
181.01683	5.0
185.01259	2.3
187.02681	2.0
189.00737	1.7
189.04393	3.1
193.01720	3.8
195.01749	1.7
195.03307	7.5
197.01181	15.6
197.04865	3.9
199.02690	8.2
201.00725	1.5
203.02261	1.1
205.01677	15.7
207.03334	1.4
211.02815	3.9
213.04308	4.1
215.02240	11.0
215.05840	2.2
217.03696	2.0
218.09264	2.4
219.01744	11.6
221.01205	2.5
222.22386	1.3
223.02759	66.1
224.03044	1.6
225.04312	7.8
227.02223	1.9
231.03323	1.2
237.02757	15.7
239.02222	10.6
241.03802	100.0
242.04222	3.0
247.02769	5.6
249.04303	2.0
255.03908	1.3
257.03268	3.4
259.04901	19.1
265.03818	65.4
266.04190	1.4
283.04865	45.8
284.05219	2.3
287.04309	4.9
301.05902	1.3
306.06442	1.4
307.04776	2.1
323.04825	1.3
324.98547	1.4
325.05927	26.8
342.99591	2.9
349.06033	3.6
359.02789	22.0
360.02786	1.5
367.07126	5.4
385.08023	22.6
403.09079	35.4
404.09119	1.8
406.35086	1.1
426.10461	1.4
429.08997	2.4
444.29361	2.1
445.10086	50.4
446.10385	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	445.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	19.0
61.02887	1.1
69.03416	2.3
70.06588	1.4
70.83268	1.0
73.04757	9.5
73.46865	1.0
81.03409	4.5
84.04467	1.0
84.08125	4.3
84.96035	9.9
85.02911	2.2
86.09693	1.6
88.74288	1.0
91.05839	17.3
93.07037	2.2
95.04957	3.0
96.36608	1.0
97.02877	2.4
98.97570	100.0
101.00872	4.2
110.97559	9.4
112.99178	1.1
113.00867	2.0
116.98606	48.5
117.03339	1.3
119.01913	7.2
119.04930	3.9
121.06513	2.1
124.99083	1.5
128.98599	9.6
129.10251	3.2
131.00211	1.5
131.01875	6.3
134.99643	16.2
136.06152	1.2
140.98628	1.2
143.00150	4.0
143.01904	3.9
145.03447	4.3
145.04817	1.4
146.99617	5.0
147.01387	1.2
147.04372	13.6
149.04509	1.5
149.05887	1.0
153.00664	2.2
153.52762	1.0
155.00175	1.3
155.01904	3.7
157.46275	1.0
158.99634	42.5
161.01257	3.5
161.02928	7.8
165.04012	1.6
165.05444	2.0
167.05545	11.3
169.03455	6.0
170.99689	2.5
171.05067	1.5
173.01465	1.0
173.02957	4.2
175.02504	1.4
177.00694	63.3
177.04013	1.9
177.05505	1.4
178.01065	1.1
179.00307	1.3
179.02155	1.3
181.03406	2.9
181.04927	1.7
183.01639	0.9
183.03401	1.5
183.05009	2.4
185.01187	1.6
185.02899	1.7
187.02553	1.1
187.04396	1.2
189.00729	2.2
193.03421	6.3
195.01743	4.4
195.03310	3.0
195.04915	10.7
197.01292	2.2
197.02974	3.6
197.06583	1.6
199.04509	1.5
201.00728	1.7
203.04037	3.8
205.01675	2.8
205.03511	7.0
207.04991	2.5
209.02971	2.4
211.02724	1.8
211.04480	10.3
213.04247	3.0
213.06114	2.6
215.02142	1.5
216.98775	2.3
217.03520	3.1
219.01740	43.0
219.05029	2.2
220.02226	1.5
221.03125	1.4
221.05070	3.8
223.02715	11.6
223.04544	14.4
224.04742	1.3
225.04279	5.2
228.61674	1.1
229.03537	3.4
231.05121	1.7
235.04486	8.0
237.02786	39.3
237.06039	3.0
239.04080	1.8
241.03589	11.6
241.05885	2.1
247.04684	10.3
253.05479	1.2
255.03740	2.3
257.05072	4.5
259.04721	5.1
261.05988	1.1
265.03329	3.9
265.05908	25.4
266.05777	1.2
277.05695	1.4
279.03839	5.8
283.06989	26.6
284.06799	1.4
285.04523	1.1
287.04266	2.4
293.05035	2.1
295.06378	1.2
301.05832	3.6
307.06781	1.2
321.08325	5.4
323.06100	6.3
325.07816	13.8
337.07666	7.8
341.05554	1.6
342.99631	2.3
343.07166	3.3
349.07617	7.8
359.02780	14.4
360.02908	1.7
367.08707	2.8
385.09042	3.1
403.10370	7.8
445.10135	30.1
446.10822	1.5
446.26270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	4.7
72.08141	2.8
73.04749	5.1
86.09695	7.4
91.05785	7.2
167.05641	1.9
181.04944	16.0
192.04800	1.7
219.02583	2.8
254.38579	1.8
301.11755	3.0
324.15503	8.4
359.02994	4.4
367.07764	3.2
375.98907	2.0
383.15875	2.4
385.08929	100.0
386.09070	3.9
431.89377	1.8
445.10986	94.3
445.16360	16.7
446.11316	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	445.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
59.32706	1.8
65.39582	2.0
68.98252	2.8
69.03410	3.7
70.72395	3.0
73.02918	3.6
73.04743	11.9
74.12823	2.1
85.02896	5.7
91.05374	2.9
91.05809	8.9
97.02866	3.6
98.97587	5.8
101.00324	2.3
101.00877	13.9
107.04935	3.4
111.78465	1.9
113.00855	10.6
115.02415	3.2
119.01904	24.3
119.04973	11.2
126.17847	2.6
127.02412	3.0
131.01904	22.7
132.08080	7.8
133.02795	4.0
133.08440	2.9
135.04399	2.6
137.02977	2.8
137.05881	3.0
143.01868	10.9
145.03467	10.6
147.01369	4.0
147.04387	37.8
150.09106	10.7
151.09454	4.1
153.03961	5.2
155.01872	14.0
156.56236	2.5
157.03474	4.9
161.02954	24.7
163.02428	3.3
165.03970	5.9
165.05490	9.0
167.01904	4.3
167.05565	7.9
168.02660	3.4
169.03494	20.9
169.80113	2.1
171.05045	7.2
173.02974	7.6
175.02498	2.7
177.03979	5.9
179.05466	3.6
181.03432	12.5
183.05040	9.5
185.02968	4.2
185.06592	3.2
187.04547	3.1
191.01895	3.0
193.03481	23.3
194.04112	2.9
195.05031	28.9
197.02971	13.8
197.06651	3.3
199.04576	5.3
203.02133	3.7
203.04004	11.2
205.03441	26.0
207.05070	5.9
209.02959	8.1
211.04486	30.7
212.04683	2.5
213.06087	5.4
217.03517	10.7
219.05057	8.7
221.02980	5.4
221.05096	9.4
223.04520	53.4
224.04668	2.3
225.04227	2.7
225.06140	3.3
229.03430	8.9
229.05501	3.3
231.05115	4.3
233.06593	3.6
235.04480	27.9
237.06032	10.8
239.04071	5.8
241.05623	11.5
245.02896	2.5
245.05208	2.6
247.04482	35.4
249.06178	2.9
251.03818	2.3
253.05589	7.0
257.05142	18.6
259.04468	4.9
263.06161	3.6
265.05560	87.2
266.05786	7.3
273.05936	4.0
275.03757	3.0
277.05725	4.8
283.06641	100.0
284.06781	6.4
289.05521	3.7
293.05078	5.8
295.06622	4.6
301.05594	7.7
312.14447	9.4
313.14716	13.4
319.06686	3.9
321.08224	11.6
323.06262	16.1
323.09610	3.9
325.07639	45.0
326.07773	4.8
337.07681	15.0
341.07050	3.2
349.07666	24.2
355.08893	4.2
359.02866	11.4
363.12418	5.4
367.08640	14.6
385.09949	7.0
403.10956	14.6
404.11340	3.1
436.13541	2.3
445.11688	12.4
445.18869	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	445.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03421	4.0
63.82560	2.4
69.03432	6.7
69.99527	6.3
73.02908	5.6
73.04745	17.1
81.03403	4.6
82.99866	2.3
84.83917	2.1
85.02892	8.0
86.99345	4.1
91.05846	21.4
94.99818	2.4
95.04955	6.4
97.02932	10.8
98.23495	2.5
98.97546	2.7
101.00890	23.2
105.00385	2.3
108.87379	2.6
109.02853	4.8
109.06519	4.3
113.00857	17.9
115.02425	7.5
117.05743	6.0
118.97849	2.0
119.01910	35.2
119.04942	5.9
127.02412	9.9
129.00162	2.5
129.04025	2.3
131.01898	58.0
132.08069	16.7
133.03435	9.0
133.08398	8.7
137.02951	4.7
137.05989	4.0
139.02408	3.0
143.01862	13.3
145.03450	41.1
147.01358	4.8
147.04402	47.1
148.05084	2.1
149.02940	3.8
149.04482	4.2
150.09105	13.7
151.09468	5.2
153.03902	3.0
155.01875	34.2
156.02649	6.4
157.03474	19.3
159.01419	5.4
159.05072	3.4
161.02991	16.2
163.04526	3.7
165.05489	5.0
167.01903	2.6
167.05530	20.4
169.03470	7.5
171.04997	8.5
173.02959	40.4
175.04555	5.4
175.73521	2.1
177.02524	2.6
177.03972	8.9
179.05527	4.1
181.03442	10.1
183.01360	4.2
183.04958	12.7
185.02907	18.4
185.06581	10.8
187.02402	2.5
187.04483	5.4
193.03450	4.4
195.05032	63.4
196.05228	2.6
197.02977	16.7
197.06590	15.9
199.04517	11.6
201.02451	3.7
203.03996	27.4
205.03477	12.0
206.81001	2.3
207.05049	5.6
209.02914	7.5
209.06662	4.7
211.04478	7.7
213.06050	17.2
215.03990	5.3
219.01494	3.7
219.05023	18.1
221.02997	5.5
221.04930	63.4
223.02455	4.3
223.04523	66.0
224.04889	3.4
225.04225	2.9
225.06160	11.2
227.04015	5.2
231.05145	22.6
233.02936	6.2
233.06599	7.3
237.02507	5.2
237.06099	20.4
239.03931	6.1
239.07910	2.6
241.05608	34.4
243.07140	4.1
245.04927	12.3
247.04547	31.8
249.06244	20.4
251.04146	5.6
251.07603	4.9
255.07198	5.3
257.04962	18.1
259.04407	6.7
259.06787	5.0
261.06052	6.9
264.96249	2.6
265.05579	39.4
267.07141	3.1
269.05035	2.5
273.06076	10.0
277.04086	10.6
279.07300	3.7
281.05087	2.7
283.06699	25.1
284.07077	2.4
285.04523	24.0
287.05991	7.2
291.07071	6.1
293.08533	4.7
295.06491	5.5
301.05011	11.1
301.08356	3.1
303.30115	2.1
305.77090	2.0
307.06799	4.1
312.14487	15.1
313.14655	17.2
319.06625	8.2
321.08173	100.0
322.08441	5.1
323.06207	19.0
327.05481	9.8
331.06732	3.8
332.96378	2.4
337.07687	3.2
339.09161	7.9
341.07162	8.4
345.06827	6.2
349.07635	72.1
350.07547	3.8
359.02872	19.1
367.08734	34.8
368.08591	2.5
385.09875	13.3
395.94592	2.0
403.10825	31.7
445.11761	27.7
445.18832	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	445.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03140	1.4
55.01872	2.6
69.03449	2.1
70.57368	1.8
70.57716	2.1
73.04761	8.8
86.09714	6.5
91.05834	8.8
93.07034	1.8
97.02890	1.6
121.02848	18.6
121.03732	2.1
121.06544	4.5
123.08093	6.2
149.05968	9.3
151.03914	9.1
151.07588	3.7
163.03902	4.6
167.05524	7.8
171.04147	1.5
185.70915	1.7
189.05219	23.8
191.06844	2.4
197.12881	2.8
199.02155	4.1
201.03674	14.9
217.03278	4.2
219.04730	40.9
225.04221	1.8
235.04205	19.2
274.14621	1.4
306.07526	1.9
337.25046	1.6
342.99771	1.9
349.09000	10.9
359.02939	7.1
367.10010	40.1
385.11322	100.0
386.11279	6.8
401.18042	5.2
427.15570	2.9
445.12637	77.1
446.13373	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1473
Annotation	Canagliflozin
Peak:m/z	Relative Intensity
51.97874	5.2
53.52082	4.7
56.44807	4.9
63.20778	6.3
69.03414	5.3
69.20549	22.9
69.20950	8.3
73.04745	21.8
78.53177	4.6
91.05815	40.9
93.07025	5.0
97.02950	5.4
97.37864	5.1
167.05551	24.0
225.04337	8.7
283.10443	9.7
342.99686	7.2
359.02872	30.9
373.86020	5.7
385.08865	5.9
401.15662	11.0
445.14651	100.0
445.20432	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1473
Annotation	Ecbolin A
Peak:m/z	Relative Intensity
51.97874	5.2
53.52082	4.7
56.44807	4.9
63.20778	6.3
69.03414	5.3
69.20549	22.9
69.20950	8.3
73.04745	21.8
78.53177	4.6
91.05815	40.9
93.07025	5.0
97.02950	5.4
97.37864	5.1
167.05551	24.0
225.04337	8.7
283.10443	9.7
342.99686	7.2
359.02872	30.9
373.86020	5.7
385.08865	5.9
401.15662	11.0
445.14651	100.0
445.20432	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25294	0.5
55.16062	0.5
60.44132	0.5
61.88459	0.5
64.80261	0.5
68.65406	0.5
69.37961	3.0
72.08147	0.6
73.04759	1.4
78.56260	0.5
86.77451	0.5
87.78184	0.5
91.05804	1.8
95.04980	0.7
98.06054	0.7
119.04967	0.6
121.02844	0.7
121.06519	2.3
148.47324	0.6
149.05951	5.4
151.03983	0.6
167.05525	1.7
171.04211	1.1
171.05666	1.9
189.05208	9.4
199.05112	0.7
201.03685	7.3
213.06679	1.8
217.03181	0.8
219.04755	15.6
253.09859	5.4
267.13016	0.6
269.05917	0.8
281.09265	0.5
283.10974	2.2
284.18756	0.7
298.07391	0.7
301.08575	1.2
301.11917	17.6
301.15341	1.1
309.08618	0.7
315.09665	2.6
325.12088	1.0
339.10516	0.8
342.99731	0.9
343.13037	7.3
349.08871	3.5
359.02783	2.0
365.15109	1.3
367.05307	1.0
367.09946	18.3
368.10281	1.1
383.16092	14.7
385.10852	34.1
386.11163	1.3
397.14505	0.5
401.17877	0.6
427.15121	2.8
445.16632	100.0
446.16968	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	445.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05361	0.5
53.03942	1.8
53.14956	0.5
55.01876	0.6
57.03417	0.9
59.04989	0.8
59.09665	0.5
61.02917	1.2
67.05506	1.2
68.99789	1.2
69.03423	4.5
71.04983	0.5
71.06330	0.5
73.04742	1.0
79.05495	1.2
81.03408	3.8
81.07050	1.0
85.02901	8.7
87.00826	3.6
91.05436	4.0
93.07047	7.0
95.04966	1.7
95.08621	0.9
97.02874	4.1
99.04458	1.3
105.01865	2.7
105.07027	6.7
107.08588	16.3
108.08966	0.7
109.02881	6.0
109.06536	1.3
109.10131	1.9
119.08583	2.4
121.06490	1.9
123.04465	0.9
123.11693	1.0
127.03906	8.0
131.08549	0.8
133.10121	19.5
134.10449	0.8
135.11694	17.6
137.05910	0.7
137.09570	1.1
145.04948	2.2
151.11194	1.5
159.02885	1.0
161.09598	8.6
168.91722	0.6
179.10664	32.6
180.10973	1.1
197.11720	100.0
198.12093	2.5
213.03888	1.0
231.05017	1.4
249.35519	0.5
343.05695	0.5
359.02753	0.8
445.16647	5.7
447.45541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01857	1.3
55.05500	0.7
57.03427	0.6
59.04994	0.8
67.05491	0.8
68.62086	0.5
69.03424	2.8
69.07063	1.3
70.06557	1.0
71.05008	0.6
71.44597	0.6
73.02887	0.7
73.04736	2.0
75.96848	0.6
77.75668	0.5
79.05482	0.9
81.03404	3.1
81.07036	1.4
83.04941	0.6
85.02896	5.7
86.09704	3.8
87.00829	2.9
91.05437	2.9
91.05843	2.0
93.07050	2.9
95.00343	0.5
95.04943	1.1
95.08610	0.6
97.02898	3.8
99.04436	0.7
105.01846	2.2
105.07023	5.2
107.08583	43.9
108.08905	1.1
109.02859	4.3
109.06527	1.5
109.10152	1.6
119.05087	0.5
119.06029	1.2
119.08558	2.1
121.06484	1.3
123.08031	0.8
127.03909	5.5
133.10118	18.0
135.08012	0.7
135.11679	7.0
137.05989	0.7
137.09593	1.4
143.08499	0.8
145.03867	0.6
145.04945	1.4
149.02260	1.3
151.11172	1.4
159.02895	1.1
159.92238	0.5
160.44600	0.5
161.09610	6.6
163.03903	1.6
167.05545	2.1
179.10643	11.6
181.05000	0.6
197.11703	100.0
198.12035	4.1
213.03900	0.7
225.04276	1.2
231.05006	1.4
231.44417	0.5
240.02943	0.5
310.52023	0.6
342.99725	0.7
348.38605	0.7
359.02780	3.8
371.21948	1.9
445.15067	1.3
445.20508	0.9
445.29318	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	445.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74858	0.9
53.03952	1.9
55.01871	1.0
59.63889	0.8
69.03439	5.0
69.63840	3.8
70.95647	0.8
71.05002	0.9
71.16068	0.9
72.08137	1.6
73.04755	3.0
76.18052	0.9
79.05505	1.6
81.03414	2.9
81.07053	1.4
85.02912	10.8
86.09708	4.3
87.00814	2.9
91.05422	2.1
91.05853	1.5
93.07037	6.0
95.04979	1.3
97.02894	2.3
99.04452	2.1
102.31107	1.0
103.65325	0.8
105.01860	3.9
105.07029	3.1
107.08589	15.8
109.02882	5.6
109.06515	1.6
109.10104	1.3
119.08587	1.9
121.06493	1.2
123.11753	1.0
127.03922	7.3
133.10124	16.0
135.11691	16.5
137.09569	1.7
145.04948	2.0
147.38850	0.8
151.11191	1.7
159.02820	1.1
161.09631	9.2
167.05547	1.9
174.11317	0.8
179.10661	30.4
197.11720	100.0
198.12076	2.9
198.15283	0.9
229.22485	1.0
231.05069	1.1
306.28482	1.0
359.02805	3.9
372.93762	0.9
445.16821	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
59.04995	1.0
59.27559	0.8
67.05477	1.6
69.03418	4.4
69.11393	1.8
69.11793	5.3
70.06567	2.2
72.08138	1.1
72.24091	1.0
73.04738	4.5
79.05476	1.9
79.24833	1.0
81.03400	3.8
81.07048	1.5
84.08131	1.1
85.02892	6.9
86.09685	5.3
87.00815	3.1
91.05330	1.2
91.05775	5.5
93.07039	3.4
95.04954	1.4
95.08566	1.3
97.02885	3.6
98.23511	1.9
99.04431	1.7
105.01866	1.3
105.07024	4.0
107.08582	39.5
107.37919	0.9
109.02856	4.8
109.10133	2.1
113.03989	1.1
119.08541	2.1
121.06505	1.0
123.11670	2.1
127.03889	5.0
133.10123	17.9
135.11665	5.1
137.09607	2.2
145.05006	1.9
151.11194	2.8
159.02869	1.0
161.09592	6.2
167.05515	1.5
179.10657	16.0
197.11708	100.0
198.12062	2.4
199.40355	1.1
223.32437	1.1
231.04930	2.2
255.15562	1.0
342.99637	1.1
359.02814	5.2
393.54358	0.9
445.20892	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	445.2044
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
53.89551	0.2
57.01650	0.2
57.77814	0.2
58.01161	0.2
59.65126	0.2
70.68742	0.5
73.04751	0.2
75.69611	0.2
83.42256	0.2
118.11689	0.3
124.79160	0.2
178.35806	0.2
183.55327	0.2
201.03754	0.6
313.16260	0.5
333.07901	11.7
334.08182	0.5
335.09427	0.5
399.57678	0.3
445.20416	100.0
446.20795	6.2
451.71948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45623	0.2
67.05493	0.6
73.04762	0.3
79.05492	0.7
81.03437	0.3
81.07053	0.8
91.05840	0.6
93.07045	0.3
95.04966	0.2
95.08578	0.3
99.13409	0.2
105.07034	0.4
107.08597	0.3
109.06516	0.2
109.10154	0.3
117.47923	0.2
119.08582	0.2
121.10167	0.2
123.11714	0.3
123.91985	0.2
131.08571	0.4
143.08557	0.2
145.10088	0.2
163.99252	0.3
167.05544	0.2
173.09679	0.2
195.11812	0.2
325.21231	1.3
385.19556	5.8
385.24359	1.6
445.21933	100.0
446.22302	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	445.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.4
57.03436	9.5
57.07076	8.5
67.05500	5.4
68.79774	1.3
69.07070	23.9
69.20871	8.6
71.08637	6.1
73.04753	7.5
77.60672	1.2
79.05505	2.2
81.07055	5.9
83.08623	20.5
88.02218	4.3
88.06815	1.1
91.05804	18.1
93.07090	2.8
95.08619	3.9
97.06523	1.7
97.10158	12.7
98.98455	8.0
105.48192	1.5
107.08549	2.2
111.11746	3.6
114.07391	1.9
121.10159	4.2
134.98183	100.0
149.04573	2.0
155.01064	5.2
167.05582	8.2
171.90652	1.3
176.00966	1.2
183.04192	5.2
225.04256	3.7
311.25800	30.1
333.24005	6.5
342.99686	1.8
359.02869	10.3
360.02942	1.7
445.17676	3.2
445.23434	42.2
445.29007	2.8
445.33557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.03431	3.5
57.07066	0.6
63.89133	0.3
67.05495	5.5
69.07060	1.6
69.48584	1.4
71.08591	0.4
79.05473	1.7
81.07049	7.4
83.08612	1.3
91.05474	1.1
93.07026	2.1
95.04899	0.4
95.08018	0.6
95.08599	8.2
97.06535	0.4
97.10170	0.7
98.98475	0.6
105.07013	0.9
107.08569	1.6
109.10136	3.3
111.08070	0.5
113.00002	74.8
119.08579	0.9
121.10146	1.4
123.11684	1.4
124.11189	0.3
125.83696	0.3
131.01010	0.5
133.10110	0.7
135.11685	1.0
135.27010	0.3
137.13261	0.9
139.01573	0.5
142.52040	0.3
147.11688	0.9
149.13277	0.8
151.14828	0.8
155.01013	0.9
161.13245	1.0
163.14757	0.5
165.16391	0.5
169.02591	100.0
170.02980	0.8
175.14825	0.7
177.16335	0.7
193.19449	0.4
221.18977	0.6
259.24222	2.5
277.25226	5.7
298.56351	0.3
359.02808	0.9
416.31592	0.4
457.65274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01862	3.3
55.05509	18.6
57.03425	3.2
57.07069	1.3
64.78990	0.7
65.03931	3.8
67.05502	46.5
68.05847	0.8
69.03411	0.8
69.07064	16.0
71.05000	3.9
77.03932	1.7
79.05490	41.6
79.23190	0.7
80.78867	0.7
81.03437	1.2
81.07055	38.9
83.04983	4.0
83.08618	7.5
85.06535	2.8
91.05473	55.7
92.05805	1.4
93.07040	37.5
95.04965	9.7
95.08600	27.5
97.06524	4.3
97.10155	3.8
98.23512	1.7
103.05462	2.8
105.04512	2.6
105.07026	60.6
106.07365	0.8
107.04949	3.2
107.07920	1.5
107.08588	17.3
109.06508	5.1
109.10143	8.1
111.08080	1.9
115.05456	3.9
116.06234	1.6
117.06174	1.6
117.07011	27.1
118.07433	1.0
119.04961	1.3
119.08574	32.7
120.08929	1.1
121.06491	5.8
121.10136	11.6
123.08055	2.8
123.11713	1.8
125.09617	1.4
128.06226	4.0
129.07002	19.5
130.07759	2.8
131.08560	44.0
132.08852	0.9
133.06447	3.5
133.10121	18.1
135.08023	3.7
135.11691	4.4
137.09589	1.4
141.06996	7.7
142.07797	2.4
143.08556	20.1
144.09319	1.1
145.06493	3.5
145.10117	23.7
145.11226	1.6
146.06888	0.7
146.10490	1.3
147.08034	5.1
147.11671	6.0
149.09578	5.4
149.13246	1.8
151.11122	0.8
154.07796	1.7
155.08545	9.6
156.09323	1.0
157.10129	11.0
159.08070	2.2
159.11671	12.7
161.09622	3.0
161.13292	1.2
163.11157	1.1
165.07132	0.9
166.07820	1.3
167.08524	3.7
168.09349	1.1
169.10129	9.3
171.11690	9.2
173.09647	1.7
173.13269	4.9
177.12723	1.4
181.10051	4.5
183.11687	7.0
185.09662	1.2
185.13300	5.1
187.11153	2.2
187.14819	2.9
193.10223	0.9
195.11699	4.2
195.13478	1.0
197.13283	6.9
199.11142	1.0
199.14845	3.4
201.12814	1.7
201.16336	2.3
203.14386	0.7
207.11819	1.3
209.13254	3.0
209.15213	0.7
211.14854	3.0
213.12831	1.3
213.16350	1.4
214.62109	0.9
215.14389	1.7
217.15965	1.6
219.11740	1.0
219.13873	1.0
221.13266	1.0
223.14845	3.1
225.16353	2.0
227.14386	1.5
229.15782	1.1
233.15404	3.3
237.16370	1.5
241.15973	1.4
243.17517	1.3
247.16992	4.1
255.17476	2.9
257.18991	1.2
259.16940	2.5
261.18414	1.7
269.19052	1.5
273.18542	2.7
285.18591	0.9
287.20020	1.6
325.25098	5.9
333.20819	1.0
335.23691	7.0
343.26315	8.2
353.24747	20.5
354.25177	2.2
371.25821	25.1
372.26294	2.0
389.26831	24.1
390.27118	1.6
405.62057	0.8
409.27139	0.8
417.30145	1.5
427.28360	5.4
432.44125	0.8
445.29480	100.0
446.29877	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70236	0.6
53.03939	2.3
55.01870	4.2
55.05510	19.2
56.35573	0.5
57.03434	2.4
57.07076	1.3
59.05000	1.0
65.03937	3.8
67.05500	44.5
69.03455	0.7
69.07069	14.6
69.94212	0.7
69.94543	1.8
71.04988	3.0
71.26240	0.6
73.04729	0.6
73.06572	0.8
77.03929	1.9
79.05489	38.1
80.05840	0.8
81.03425	0.8
81.07052	39.3
82.07355	0.6
83.04994	3.7
83.08620	7.2
83.12342	0.5
85.06543	2.4
91.05469	55.9
91.99479	0.6
92.05825	1.0
93.07039	34.5
94.07386	0.7
95.04964	9.9
95.08601	28.0
95.09221	1.4
97.06538	4.0
97.10160	3.3
99.08095	0.7
102.23467	0.7
103.05451	3.4
105.04553	3.4
105.07024	53.2
106.07349	1.6
107.04948	3.9
107.08585	18.1
109.06524	4.6
109.10146	8.4
110.10493	0.8
111.08107	1.9
115.05444	3.6
116.06245	1.8
117.06174	1.4
117.07011	27.6
119.04875	0.6
119.08573	29.7
120.08938	0.6
121.06504	6.2
121.10138	11.5
123.08104	2.2
123.11707	1.7
125.09637	2.2
128.06219	5.1
129.05544	0.8
129.06998	19.5
130.07784	1.4
131.08557	44.0
132.08888	0.9
133.06517	2.8
133.10124	14.3
135.08031	4.5
135.11674	4.5
137.09604	2.2
139.11067	0.6
141.06966	8.8
142.07782	2.3
143.08553	17.6
144.09039	0.9
145.06468	3.6
145.10109	23.8
145.11206	1.2
146.10504	0.9
147.08038	4.1
147.11714	5.3
149.09602	4.1
149.13283	1.4
153.06989	1.4
154.07744	1.0
155.08549	10.7
156.09337	0.8
157.06503	1.0
157.10112	11.4
159.08104	2.6
159.11690	9.2
161.09650	2.5
161.13284	2.5
163.11281	0.8
165.06969	0.7
167.05498	0.7
167.08577	3.2
168.09389	1.5
169.10092	8.4
171.08057	1.6
171.11671	7.6
173.09619	1.8
173.13261	3.8
174.13924	0.6
175.11230	1.6
175.14760	1.0
177.12721	1.2
179.08720	0.6
180.09363	1.0
181.10127	4.5
183.11629	5.6
185.09656	1.5
185.13277	5.1
187.11166	1.8
187.14835	2.1
189.12802	1.3
189.16492	0.9
193.10225	1.0
195.11696	4.4
197.13248	6.2
197.93365	0.6
199.11165	1.5
199.14761	3.8
201.12762	2.6
201.16515	1.5
207.11781	1.0
207.13733	1.1
209.13292	4.1
211.14882	4.4
213.12820	1.1
213.16386	1.2
215.14331	1.6
215.17892	0.8
217.15851	0.8
219.13863	0.9
219.17519	1.1
223.14818	2.3
225.16393	1.7
227.14410	1.7
227.17921	1.3
229.15761	0.7
233.15440	1.9
235.14812	1.0
235.90210	0.6
237.16359	1.6
241.15933	1.7
243.17491	1.0
245.15370	1.1
247.17018	2.2
251.18205	0.8
253.15701	1.0
255.17519	2.4
259.16901	3.3
261.18579	1.9
269.19125	0.6
273.18558	2.6
285.18475	1.0
287.20071	1.3
307.24155	1.2
325.25146	4.5
326.72525	0.6
329.24808	0.7
335.23685	7.2
343.26334	7.6
347.22189	1.1
353.24728	22.7
354.25180	1.5
355.15659	2.4
371.25769	22.8
372.26196	1.8
385.23593	2.1
389.26794	22.5
390.27423	1.2
409.27399	0.7
417.30469	0.8
427.28555	4.1
445.29523	100.0
446.29892	7.7
449.32532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.0
51.91172	0.7
53.03935	1.8
55.01863	2.5
55.05510	16.1
57.03445	3.9
57.07067	0.8
59.04977	1.1
61.66075	0.8
64.19457	0.7
65.03938	2.8
66.61987	0.8
67.05502	40.5
69.03421	2.1
69.07067	14.2
69.07437	0.9
71.04989	2.6
71.43592	0.9
73.06560	0.8
77.03916	1.8
79.05489	37.4
80.94818	1.0
81.03391	1.4
81.07053	38.9
83.04992	3.8
83.08609	7.5
85.02930	1.2
85.06556	1.7
91.05467	53.0
93.06446	1.7
93.07042	32.8
95.04969	8.1
95.08602	24.2
97.06521	4.6
97.10175	2.5
101.06010	1.0
103.05475	2.1
105.04517	2.5
105.07025	54.3
106.07321	1.3
107.04973	4.6
107.08590	22.3
108.08878	0.8
109.06522	4.9
109.10155	8.8
111.08082	1.5
115.05438	4.4
117.07010	24.7
117.70651	0.7
119.05029	0.7
119.08575	54.0
121.06480	5.6
121.10147	11.2
123.08077	2.6
123.11716	2.1
125.09614	0.8
128.06248	4.6
129.05515	1.1
129.06996	16.6
130.07797	0.9
131.08565	40.2
131.30151	0.7
132.08942	0.8
133.06502	3.4
133.10126	15.7
135.08028	9.4
135.11661	4.0
137.09689	1.1
141.06992	5.5
142.07829	1.8
143.08562	15.5
144.09247	0.8
145.06483	3.2
145.10120	22.2
147.08040	3.6
147.11693	4.8
149.09639	3.2
149.13237	1.2
152.42087	0.9
153.06982	1.6
154.07739	1.1
155.08572	8.8
157.10123	9.9
159.08044	2.7
159.11696	10.1
161.09653	3.1
161.13242	2.3
163.11192	1.3
166.07765	0.9
167.08574	3.4
169.10106	8.5
171.08130	1.2
171.11656	8.4
173.09608	0.8
173.13281	3.2
175.11162	1.2
175.14778	1.1
177.12689	1.0
181.10135	3.5
183.11699	4.5
185.09644	1.7
185.13249	4.6
187.11156	1.3
187.14868	2.7
195.11652	4.3
197.13255	5.3
199.11157	1.4
199.14830	3.7
201.12805	1.3
209.13255	2.9
211.14775	3.7
213.12791	1.0
213.16367	1.4
215.14413	1.4
217.15819	1.0
219.13863	0.9
223.14876	3.2
225.16347	1.5
227.14319	1.9
229.15973	1.1
233.15427	2.2
235.14867	1.0
237.16383	1.3
241.15910	2.4
243.17603	1.7
245.15555	1.0
247.17033	2.7
255.17365	1.2
259.17007	1.8
261.18460	2.6
273.18436	1.6
275.20212	1.4
294.61121	0.9
325.25308	4.2
335.23624	5.9
343.26147	7.5
347.22021	1.0
353.24692	18.8
354.24875	1.2
355.26553	0.9
359.02899	1.6
371.25784	22.3
372.26309	1.7
389.26837	23.3
390.27197	1.1
409.27438	1.3
427.28635	4.6
445.29492	100.0
446.29953	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	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
57.80510	1.1
67.05501	3.5
69.03422	1.5
69.07050	1.2
70.60989	1.8
73.04733	1.1
77.93143	1.1
79.05489	2.5
81.03435	1.0
81.07044	1.6
83.04983	2.2
84.91246	1.0
85.02905	2.5
85.06543	1.4
89.08640	1.0
90.08032	1.1
91.05859	2.3
93.07030	6.1
95.04964	1.7
95.08596	10.9
97.02856	1.6
105.07032	7.0
107.08566	5.0
109.06490	1.1
117.07030	3.1
119.08592	7.7
121.06612	1.0
121.10133	5.4
129.07028	1.6
131.08554	2.3
133.10164	4.9
135.07994	1.4
137.05957	1.1
137.09703	1.4
142.07809	1.8
143.08504	6.1
145.10112	15.1
157.10101	13.1
159.11670	26.5
160.12393	3.0
161.09613	2.5
161.13234	7.0
170.10948	1.6
180.55716	1.1
185.13223	26.4
186.13687	1.9
203.14293	82.4
204.14702	3.0
204.37500	1.1
213.12772	2.6
221.15321	8.5
231.13788	13.6
245.63139	1.1
249.14836	100.0
250.15170	5.1
267.10059	1.3
271.06189	1.3
271.27075	1.2
317.08145	2.8
353.57104	1.0
360.02972	2.0
435.48285	1.0
446.15002	1.9
446.28543	1.1
447.16415	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	446.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05133	1.1
55.01865	1.9
55.05509	4.3
57.03425	2.9
65.33498	1.2
67.05496	3.6
69.03423	2.0
69.07066	2.1
72.08141	6.6
73.04758	1.7
79.05462	1.3
80.05022	2.7
81.07034	3.1
82.06566	3.7
83.04961	1.5
84.08141	5.2
84.69037	1.1
91.05444	1.6
93.07031	3.7
94.06589	1.4
95.04925	2.0
95.08592	2.5
96.04475	4.4
97.02888	1.1
97.06473	1.1
98.09684	1.0
98.80825	1.1
105.07024	5.3
107.08578	2.7
108.04475	3.7
108.08097	4.9
109.06489	1.9
109.10107	1.4
110.06014	1.8
110.09685	2.6
111.08055	1.3
114.94226	1.2
117.06971	2.3
119.08553	6.2
121.06498	3.0
121.10140	1.6
122.06003	1.7
122.09657	8.8
123.08070	2.6
127.07526	1.2
128.06120	1.0
129.07011	2.1
131.08522	3.1
133.10106	3.4
134.09668	1.4
135.08000	1.2
136.07533	6.4
136.11211	2.8
137.09587	2.2
138.09138	4.5
141.06993	1.3
142.07738	1.7
143.08542	3.2
145.10112	4.1
147.07976	2.4
147.11691	4.7
149.09602	3.5
150.09132	56.4
152.10696	3.1
154.08647	1.4
155.08627	1.7
156.09357	3.3
157.10120	6.3
159.07985	2.4
159.11664	5.0
161.09610	5.6
161.13226	1.6
164.10719	11.1
166.07722	1.3
168.10187	3.3
169.10114	5.6
171.11697	10.7
173.09595	5.6
175.11192	6.5
178.12376	1.6
179.08595	1.4
181.10139	2.1
183.11722	3.8
185.09590	3.2
185.13208	5.0
187.11179	5.1
189.12729	6.2
190.12183	1.5
192.10252	5.7
192.13841	8.0
194.10899	1.5
195.11661	1.8
196.09724	7.1
197.13242	2.0
198.10408	1.5
199.11208	5.0
199.14861	5.4
201.12767	1.5
203.10638	1.7
209.13240	3.7
210.11166	4.5
211.11127	1.0
211.14815	1.5
212.11861	2.0
213.12732	5.4
214.13474	8.9
215.14281	3.7
223.14685	1.1
227.14285	20.3
230.15459	1.3
233.15344	1.5
237.12622	1.3
238.10672	11.2
238.14365	3.2
245.15376	5.6
246.14830	2.9
249.16197	1.0
256.16971	2.1
258.14899	4.7
265.15875	2.4
268.16782	1.2
272.16373	1.2
276.15921	12.3
292.15305	1.5
298.18094	1.5
298.21490	1.4
304.15298	2.2
308.19992	6.2
310.18015	2.3
312.19370	3.4
322.16498	1.7
322.21741	1.5
326.20993	8.5
336.23083	3.9
340.19263	1.5
346.21658	2.7
354.20358	2.0
358.20029	1.8
364.22678	26.5
365.23090	1.9
372.21603	2.3
382.23761	23.7
383.23773	2.7
386.16473	3.1
390.43692	1.2
392.22385	1.7
400.24783	10.8
410.23212	13.3
428.24301	55.3
429.24564	3.7
446.18542	100.0
446.25189	29.5
447.17969	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	447.092
Annotation	Baicalin
Peak:m/z	Relative Intensity
57.03434	0.2
58.28417	0.1
58.99577	0.2
61.02911	0.5
67.05480	0.3
68.99784	0.2
69.03417	0.4
69.07060	0.3
69.38242	0.9
70.06565	0.2
71.01362	0.2
73.02905	0.7
73.04739	0.2
79.05475	0.4
81.03402	0.3
81.07066	0.9
85.02901	1.1
86.09690	0.2
89.66755	0.2
91.03922	0.3
91.05450	0.2
93.07004	0.3
95.01333	0.6
95.04961	0.4
95.08570	0.3
97.02867	0.4
98.23426	0.4
103.05448	1.6
105.03377	0.7
105.07020	0.5
107.08595	0.3
109.02849	0.3
109.06479	0.2
119.08557	0.2
121.10120	0.4
121.59719	0.2
123.00786	5.3
123.08056	0.2
123.11696	0.2
125.64414	0.2
127.03928	0.4
131.08588	0.2
134.99454	0.2
141.01823	0.9
147.11682	0.5
149.02321	0.3
159.02850	0.3
165.12796	0.4
169.01317	1.5
169.06549	0.2
197.06035	0.2
225.05522	1.2
229.05067	0.3
253.04929	2.7
270.05234	0.2
271.05978	100.0
272.06320	4.1
285.07541	0.3
285.16800	0.4
303.04889	0.8
310.07123	0.2
324.09280	0.2
337.41867	0.2
361.02545	0.2
397.31647	0.2
447.09158	0.5
447.19336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42564	0.6
56.96561	7.7
65.06559	0.6
73.04745	0.7
73.46988	0.6
79.05516	0.8
81.07070	0.8
83.57946	0.6
84.96030	1.5
91.05800	1.2
95.08607	2.2
98.22867	3.0
98.97579	100.0
105.07018	1.0
110.97562	5.2
114.24638	0.6
116.98618	37.8
123.08069	1.2
124.99090	0.7
128.55948	0.6
128.98599	3.7
134.99635	10.3
138.34793	0.6
140.98599	0.9
143.00146	2.6
146.99655	1.4
152.98709	0.7
153.00729	0.8
157.01738	7.8
158.99643	29.8
161.01248	2.4
167.00316	0.7
170.99725	1.1
175.02786	8.8
177.00706	34.3
185.01219	1.9
189.00748	1.0
195.01788	2.7
199.02852	1.0
201.00719	1.5
207.03284	1.4
209.01183	5.1
213.04446	0.6
217.03819	2.3
219.01747	21.9
219.03790	1.2
223.02762	0.7
225.04434	2.6
227.02255	9.5
237.02809	17.6
243.05540	0.7
245.03357	1.4
249.04366	2.9
255.03931	1.8
267.05380	18.7
269.03275	0.9
279.03912	6.8
285.03201	1.1
285.06458	7.8
297.04916	1.4
303.03680	1.5
309.06558	1.0
325.06207	0.7
327.07498	2.2
329.05496	0.7
341.56650	0.6
361.02545	0.8
387.09552	3.0
405.10669	15.1
406.11023	0.7
447.11722	26.4
448.12198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.3
69.27439	1.2
71.42343	1.5
73.04752	6.0
77.20514	1.2
81.03429	11.4
91.05792	11.2
91.47903	1.4
93.07013	1.3
95.04939	1.3
96.88831	1.2
98.97578	35.6
101.00884	4.9
106.47845	1.1
109.02893	4.8
116.98619	20.5
119.01923	9.8
121.06501	4.2
128.98576	1.6
129.03961	2.6
131.01869	5.4
131.04935	2.4
134.99635	6.9
143.01881	8.0
145.03470	16.1
146.99527	1.3
149.02344	2.2
149.05986	20.5
155.01929	3.1
157.01680	2.2
157.03458	3.0
158.99646	10.5
161.02936	17.4
165.03972	1.4
167.05547	3.6
167.07037	4.1
169.03464	4.5
171.05084	2.3
173.02977	3.8
175.02776	5.8
175.04219	1.5
177.00708	17.5
177.02104	2.2
179.05559	1.8
181.03423	13.6
182.04189	2.6
183.05020	14.7
185.02867	2.2
189.03993	2.1
195.01772	3.1
195.05070	1.9
197.06590	9.8
199.04558	6.1
201.06033	2.0
203.04027	5.9
205.03458	34.4
205.05391	1.8
206.03642	1.8
207.05003	21.7
209.01125	3.0
209.02969	6.1
209.06549	3.5
211.04420	1.3
217.03500	4.3
219.01732	7.7
220.02255	2.3
221.04935	2.5
221.06729	2.6
223.04512	32.6
224.04947	3.0
225.04320	2.3
225.06087	36.0
226.06242	1.7
227.02151	5.0
227.04094	2.9
231.05025	4.5
235.04536	6.6
237.02695	9.2
237.06175	1.8
239.07689	2.0
241.05626	1.7
243.07188	6.4
249.06091	55.3
250.06349	3.8
251.58348	1.6
257.05075	3.5
260.69666	1.6
261.06049	2.4
263.06006	3.3
267.07224	100.0
268.07248	8.4
271.06656	1.8
279.03906	3.0
279.07074	4.0
285.08170	5.2
290.08688	2.4
291.06995	1.7
297.08490	1.6
299.09863	1.4
307.06616	2.5
309.08194	51.5
309.11798	2.6
310.08380	4.0
325.07617	3.7
351.09381	7.9
360.03091	1.6
361.02408	6.3
369.10318	24.5
378.89328	1.3
387.11737	1.7
405.11392	7.7
447.12943	22.4
448.13397	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.7
69.03426	64.0
69.32310	6.6
70.03766	1.3
83.33937	1.0
91.05479	4.2
95.04980	1.6
95.08632	1.5
97.02886	100.0
98.03247	1.4
105.07042	3.7
107.08578	1.3
113.00031	4.0
115.05452	5.3
117.07021	5.6
119.04865	1.7
119.08579	2.2
121.06501	21.5
121.79169	1.0
128.06259	1.6
133.06505	3.2
134.07248	6.6
135.04388	1.2
135.08054	4.8
145.06480	15.1
147.04471	2.4
149.02293	1.5
159.08061	3.0
161.05969	67.5
162.06764	10.9
162.98878	1.0
167.21893	1.0
169.02640	2.4
169.06483	3.9
173.05951	7.5
173.07367	1.2
175.07645	1.1
185.09621	1.9
189.05460	19.0
189.09117	2.4
190.06235	62.0
191.06776	1.8
199.07553	1.4
201.09048	6.2
203.06985	2.7
213.09102	2.7
215.07042	16.6
231.06453	1.2
271.06116	1.3
275.10690	1.2
303.10156	2.9
321.11145	5.4
323.12720	8.2
331.09644	3.4
333.11127	8.8
349.10669	15.5
350.11334	1.7
351.12253	4.7
429.12711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33389	1.5
70.72068	2.3
70.84549	1.6
78.52509	1.4
141.77312	1.4
291.48529	1.8
345.32800	1.9
388.21002	1.7
447.17746	100.0
448.18298	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	447.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34579	0.2
91.05806	0.3
112.15980	0.2
134.88081	0.2
143.57986	0.2
197.07295	0.2
315.14102	7.8
316.14548	0.3
317.08398	0.3
366.71683	0.3
447.18344	100.0
448.18649	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	447.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44411	0.3
69.12101	1.7
71.11729	0.2
88.66534	0.2
98.23458	0.4
107.57346	0.2
108.08049	0.3
110.59906	0.2
122.18037	0.2
129.64275	0.2
140.80222	0.3
151.03882	0.4
163.03946	0.5
191.08305	0.3
271.05960	0.3
307.07993	0.3
315.14102	4.7
317.08429	0.7
329.97098	0.3
447.18344	100.0
448.18692	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	447.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79821	0.2
73.04742	0.3
75.04447	0.2
86.09709	0.3
91.05786	0.3
151.03928	0.6
166.80592	0.2
194.67300	0.2
211.63280	0.2
229.07138	0.2
315.14102	7.6
316.14648	0.3
361.02432	0.3
387.08994	0.3
447.18338	100.0
448.18710	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	447.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.5
69.55447	1.8
73.02893	0.5
73.04743	0.5
74.88823	0.4
85.02897	0.8
86.06055	0.7
91.05786	1.4
115.03935	0.4
132.06581	0.7
149.02357	0.5
151.03925	1.2
167.05539	0.5
174.98468	0.4
178.37341	0.4
191.78781	0.4
203.05263	1.0
268.15497	0.5
315.14209	3.8
317.08469	0.7
335.09464	6.1
361.02820	1.1
447.18365	100.0
448.18665	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	447.1991
Annotation	CAY10625
Peak:m/z	Relative Intensity
50.89162	0.3
56.55394	0.3
59.14336	0.3
69.21521	1.3
69.21922	0.8
79.05463	0.5
81.07067	0.8
93.07050	0.7
105.07004	0.4
108.04502	0.4
109.02915	0.5
109.10184	0.6
149.02307	0.5
173.13223	0.4
174.55028	0.3
180.50018	0.4
181.12245	0.5
199.13280	0.5
255.60994	0.3
271.05981	5.0
272.06415	0.4
285.11328	0.4
330.61273	0.4
359.57687	0.4
360.49881	0.4
366.48663	0.4
387.17767	3.3
429.18787	1.4
447.19891	100.0
448.20166	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	447.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66265	3.6
55.05511	3.5
57.03435	5.3
57.07069	21.5
63.69248	4.1
65.51917	3.4
67.05499	6.4
67.85372	3.0
69.07062	19.4
69.07469	8.6
71.08621	9.9
72.69318	3.2
79.05457	4.3
79.73919	3.0
81.07063	11.4
83.08623	4.6
85.10169	8.1
88.83651	3.2
95.08601	6.0
98.23447	7.6
99.05003	3.5
105.79432	3.3
107.08677	4.3
109.10130	4.6
112.61938	3.8
134.98184	66.7
163.84846	3.3
271.06024	16.9
275.64667	3.3
313.27356	40.7
317.67639	3.8
346.28317	4.0
425.97382	3.8
434.34698	3.6
447.24756	100.0
448.25037	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	447.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.1
55.08194	1.2
56.21687	1.4
57.03430	10.5
57.07074	31.7
67.05497	9.2
69.07069	6.8
71.08627	19.9
76.56901	1.1
79.03223	1.2
81.07052	7.0
82.71229	1.4
83.08614	5.4
85.10177	11.9
91.16133	1.1
94.10970	1.4
95.08595	12.5
95.61172	1.2
97.10165	2.0
99.00812	3.7
109.10167	5.8
117.85296	1.3
134.98177	100.0
176.00880	1.3
181.04958	3.0
195.06570	6.1
209.01927	3.2
209.08109	5.6
223.09766	3.7
237.11208	3.1
239.23859	1.5
251.12656	1.5
271.06201	1.7
313.27341	60.7
314.27713	3.2
335.25623	3.1
353.26706	3.6
415.22345	1.5
429.23825	2.7
447.24866	97.7
447.34302	31.1
448.25027	5.1
448.34805	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.1
57.03440	11.9
57.41319	2.0
67.05500	50.0
69.07066	8.7
69.31746	11.5
69.32046	4.0
79.05490	28.4
80.66814	1.7
81.07052	54.0
81.07509	3.9
82.07366	2.4
83.08612	3.1
91.05462	16.8
93.07038	33.4
95.04942	3.0
95.08601	40.3
105.07009	13.1
107.08584	24.9
109.10154	18.3
113.00011	100.0
117.07019	3.6
119.08572	8.4
121.10129	11.0
123.11729	5.9
131.08589	6.7
133.10152	9.2
135.11740	10.0
137.13249	3.8
145.10103	5.8
147.11736	5.5
149.13280	8.6
158.50711	1.9
159.11703	3.5
161.13264	4.6
163.14806	3.5
169.02603	15.3
169.93611	2.1
173.13234	4.8
187.03656	12.0
187.14822	4.2
211.46692	2.2
243.21062	7.6
261.22137	14.3
279.58133	2.1
317.24762	7.6
335.25790	75.4
336.26102	6.9
439.69269	2.0
447.53436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51237	1.2
55.05499	5.9
56.92010	1.4
57.03429	5.4
57.07066	1.9
67.05505	21.5
69.07063	6.1
69.28710	3.6
69.29117	3.8
79.05490	13.5
81.07060	26.4
83.08614	2.6
84.56126	1.3
91.05473	9.6
93.07035	20.5
95.08604	18.9
97.06576	1.8
105.04470	1.4
105.07024	6.3
107.08601	13.0
109.10144	8.9
112.55494	1.5
113.00014	100.0
119.08592	7.6
120.21146	1.3
121.10138	8.9
123.11729	4.8
131.08574	6.5
133.10127	7.8
133.11018	1.5
135.11659	7.9
145.10091	4.8
147.11711	5.9
149.13235	4.5
159.11673	3.5
161.13284	4.3
163.14865	3.3
169.02620	42.1
173.13246	5.2
177.16466	1.5
187.03699	9.2
187.14825	1.9
190.62477	1.3
201.51137	1.6
243.21097	8.2
261.22110	23.3
272.62021	1.4
317.24673	6.8
335.25803	29.0
429.24011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99306	2.1
53.03944	2.9
55.01873	20.1
55.05511	59.5
57.03435	72.9
57.07069	19.1
60.73480	2.5
64.84863	2.0
65.03931	3.3
67.05504	40.6
69.07066	54.4
69.76029	8.5
71.08630	9.5
73.02908	3.2
79.05491	28.3
81.07053	43.8
83.08617	40.1
85.10171	4.6
91.05476	13.4
93.07043	36.1
95.08604	28.0
97.06535	6.2
97.10169	24.7
98.98460	91.6
105.07047	12.1
107.08597	22.5
109.06468	2.7
109.10149	12.6
111.08060	2.7
111.11736	8.7
111.24288	2.2
113.00014	100.0
116.99561	2.6
117.07001	3.9
119.08589	8.5
121.10120	18.0
123.11719	5.9
131.08578	6.5
133.10146	6.7
135.11678	14.1
136.99982	92.2
145.10153	5.4
147.11687	4.4
149.13274	8.4
155.01033	71.1
155.02312	4.7
159.11740	4.5
161.13278	3.5
163.14842	3.0
169.02594	44.0
173.13292	6.0
187.03677	7.1
193.02620	15.8
204.53549	2.1
211.03587	11.3
219.21245	3.0
235.07245	2.3
237.22130	14.6
243.21028	8.4
261.12225	2.5
261.22110	20.9
262.22482	2.9
271.06039	18.4
311.25781	75.3
317.24728	8.4
335.25793	30.2
341.37900	2.8
346.95721	2.5
384.38412	2.7
429.23972	2.7
438.79498	2.5
446.41943	8.9
447.25067	89.5
447.42316	5.7
448.25183	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	447.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.72366	0.8
59.19341	0.7
66.03770	0.7
67.05505	2.2
69.07036	0.7
79.05466	1.3
81.07061	2.0
91.05443	1.3
93.07059	0.9
95.04995	1.0
105.07037	1.0
107.08591	1.3
113.00065	0.9
119.08591	6.2
120.08927	2.9
123.00805	0.7
131.08572	0.9
135.08018	1.0
145.10118	0.9
159.11676	0.8
167.10661	0.7
167.90509	0.7
235.13042	85.7
236.13425	2.8
271.06094	6.9
276.13086	0.8
295.10889	0.8
392.79410	0.8
447.27106	100.0
448.27304	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	448.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.1
55.01865	15.1
57.03431	9.2
57.25164	1.4
61.02916	6.6
68.99769	4.4
69.03426	35.7
69.51742	7.4
70.06596	3.2
71.04973	7.4
73.02913	12.5
79.05477	3.9
80.37338	1.9
81.03408	42.7
81.07040	5.5
83.01335	14.3
83.04965	4.7
85.02898	100.0
86.09665	2.0
87.00825	43.0
91.03928	4.6
91.05467	4.6
93.07076	1.9
97.02887	41.5
99.04447	20.5
101.02357	2.4
103.03914	2.0
105.01857	39.1
108.04485	5.7
109.02869	45.1
109.06511	13.3
117.01852	6.6
119.04953	2.2
126.05531	3.9
127.03900	84.7
128.04298	1.7
129.01831	4.9
129.37215	1.8
133.37732	1.5
137.05969	20.6
145.04953	48.2
147.02881	6.5
147.04404	2.0
153.01799	2.4
153.11708	1.7
159.02864	36.2
163.03943	1.8
165.05460	26.9
165.06786	2.2
177.03993	2.4
180.06543	8.3
183.06424	10.5
202.45390	1.5
213.03906	3.8
231.04979	21.7
248.07600	4.4
249.05928	3.1
287.05460	51.5
334.18115	1.8
339.02695	1.8
355.01913	1.6
430.22363	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.5
60.05643	0.9
69.51624	3.1
70.61160	0.7
79.05470	0.9
83.06097	2.5
95.06102	1.1
97.07691	1.1
97.49584	0.8
98.07150	1.1
104.04951	0.9
105.03397	3.0
105.05788	2.6
106.06552	1.3
111.05551	8.4
113.07146	1.1
115.83686	0.7
119.03732	0.9
120.04466	17.7
123.05590	1.3
124.12281	0.8
126.06637	11.8
127.07365	0.9
132.04443	27.3
132.06514	1.1
134.06004	11.1
134.06950	1.1
136.09576	0.7
137.04652	1.7
140.08221	0.9
146.02315	1.3
151.06145	13.1
155.38435	0.7
158.06035	0.8
159.05603	0.7
168.08841	3.7
173.07057	0.7
185.07227	1.4
202.09747	19.5
203.10001	0.7
214.09866	1.1
215.08249	0.9
216.11249	4.8
230.09254	13.0
231.12363	0.8
232.10799	5.5
242.09299	4.2
257.10284	6.2
259.11884	87.0
260.12222	4.5
277.12918	3.3
284.11267	5.1
287.05298	1.0
301.14072	9.3
302.12473	33.0
303.12811	1.7
311.82581	0.8
315.35913	0.7
319.15125	2.3
362.18375	0.9
388.16635	0.8
406.17181	16.0
426.02423	0.8
430.18365	1.7
431.16357	0.8
448.19373	100.0
449.19705	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	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.05495	1.9
55.79629	0.5
55.83183	0.5
57.03436	8.8
61.02911	2.0
69.03426	4.7
69.39909	3.0
70.92371	0.6
71.04989	56.2
73.02907	1.9
75.04468	2.4
81.03413	1.7
83.04978	12.5
84.04503	0.6
85.02899	100.0
86.03223	1.7
87.04467	2.5
91.03959	1.4
95.04960	1.0
95.84312	0.6
97.02896	7.3
99.04446	1.5
101.05988	1.5
102.94927	0.6
103.03961	0.9
105.07053	3.5
109.02901	2.0
111.04440	7.6
127.03905	8.6
128.07405	0.7
129.05470	38.4
133.06506	0.9
144.06544	1.3
145.04955	13.2
147.06514	5.9
147.07736	0.9
155.21741	0.6
163.06006	5.9
164.09230	1.9
189.08986	0.7
195.77652	0.7
198.11714	0.6
215.10556	1.4
223.97437	0.6
237.07637	1.5
251.12769	0.7
255.08624	2.1
269.13907	0.8
273.09677	3.2
285.13489	1.4
287.05591	3.1
309.11774	3.0
330.03296	0.7
375.36908	0.9
448.16583	0.9
449.17883	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	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.6
55.25645	0.1
57.03437	0.9
61.02925	1.7
67.03067	0.1
68.99780	0.8
69.03424	3.4
70.99567	0.2
70.99923	0.1
71.04988	0.4
73.02909	0.4
79.05463	0.3
81.03417	1.9
81.63570	0.2
83.01357	0.2
85.02904	9.5
86.09686	0.2
87.04447	0.5
91.03951	0.6
97.02892	3.0
99.04435	0.6
103.32970	0.2
105.03377	0.2
107.04930	0.5
109.02864	1.4
111.00780	0.8
111.04440	0.2
121.02857	3.7
121.03843	0.3
121.04007	0.2
127.03905	1.9
129.07002	0.3
133.02831	0.4
135.04362	0.2
137.02325	1.1
145.04953	1.5
145.06544	0.3
147.04414	0.7
153.01816	5.1
154.02180	0.2
157.06453	0.5
165.01791	2.1
167.10588	0.2
171.04405	0.4
175.03844	0.2
183.02866	0.8
185.05983	0.5
203.07043	0.3
213.05408	1.7
213.33653	0.2
223.33890	0.2
231.06592	0.9
241.04955	1.0
258.05249	1.4
259.05899	0.7
286.04718	0.3
287.05481	100.0
288.05814	4.7
299.05527	0.4
311.05652	0.2
329.06500	0.3
448.03424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03417	0.5
61.02923	6.5
68.99790	0.9
69.03428	0.9
69.78598	0.7
71.01338	0.2
73.02915	1.4
79.05489	0.3
80.31763	0.2
81.03405	0.4
85.02898	5.2
86.09687	0.4
91.03959	2.5
93.07001	0.3
97.02892	2.5
99.04463	0.2
105.03381	0.4
107.04939	0.7
109.02866	0.3
111.00793	0.8
115.03890	0.3
120.08092	0.9
121.02856	3.6
127.03908	0.8
133.02809	0.7
135.04375	0.4
137.02312	1.2
138.05472	0.7
145.04976	0.6
147.04366	0.6
153.01817	5.8
157.06499	0.7
165.01837	1.5
171.04399	0.3
173.40872	0.2
183.02846	0.8
185.05948	0.6
203.07014	0.2
213.05475	1.3
228.09091	0.2
231.06502	0.6
241.04800	1.0
258.05182	1.1
259.06042	0.3
269.04431	0.2
287.05469	100.0
288.05801	4.6
299.05484	0.6
303.04922	0.4
325.07092	0.3
329.06403	0.5
348.16837	0.2
353.06519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.8
53.30281	0.4
55.01882	0.5
57.03425	1.0
61.02928	1.3
64.49261	0.3
68.99796	0.7
69.03428	4.0
69.92004	0.9
69.92369	0.8
81.03416	2.0
84.08153	0.8
84.70019	0.4
85.02905	10.4
86.09688	0.5
87.00825	0.5
91.05417	0.4
97.02886	3.8
99.04450	0.6
105.01874	0.9
107.04977	0.6
108.66924	0.4
109.02873	1.8
111.00792	0.5
118.25242	0.4
120.08088	1.5
121.02859	2.9
121.10166	1.2
127.03936	2.1
129.10210	0.4
137.02342	1.2
145.04982	1.6
147.04370	0.6
147.11287	0.5
149.09566	0.5
153.01822	4.5
157.06493	0.7
165.01837	2.5
171.04610	0.4
183.02873	0.9
185.05965	0.7
202.46202	0.4
213.05492	1.2
241.04999	0.7
258.05164	1.7
259.06210	0.4
287.05484	100.0
288.05826	4.4
334.59766	0.4
336.96072	0.4
346.51755	0.4
449.27307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1412
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
56.96560	2.1
67.05502	4.0
69.03416	4.3
69.58927	8.0
73.02893	3.1
85.02866	7.3
86.06042	4.0
93.07026	2.7
94.92539	2.0
98.97544	2.0
121.06483	2.4
132.06522	6.8
242.44949	2.0
268.15500	1.9
269.15616	4.6
287.05365	3.9
353.38950	2.1
431.14822	2.7
449.14075	100.0
450.14355	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	449.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.1
67.05502	4.0
69.03416	4.3
69.58927	8.0
73.02893	3.1
85.02866	7.3
86.06042	4.0
93.07026	2.7
94.92539	2.0
98.97544	2.0
121.06483	2.4
132.06522	6.8
242.44949	2.0
268.15500	1.9
269.15616	4.6
287.05365	3.9
353.38950	2.1
431.14822	2.7
449.14075	100.0
450.14355	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	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
69.03420	0.5
69.26237	0.9
69.26651	1.5
73.02901	1.0
83.04945	0.4
85.02885	0.6
97.02893	1.2
97.94485	0.4
115.03890	0.7
121.50806	0.4
139.07556	0.7
145.04935	0.6
165.85945	0.3
203.05191	0.8
269.11459	4.9
270.12061	0.4
271.13010	1.0
287.05450	1.6
287.12527	1.5
327.02451	0.4
391.93341	0.4
449.17770	100.0
450.18124	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	449.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12981	1.9
122.78690	0.7
126.41077	0.7
137.18199	0.7
195.99214	0.7
225.54889	0.7
237.07199	0.7
246.61700	0.7
264.32147	0.7
439.00299	0.7
449.19348	100.0
450.19693	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	449.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.9
56.00310	2.5
57.03437	10.5
57.07080	7.0
57.17132	2.4
67.05500	37.0
69.07066	21.9
71.14664	3.8
79.05506	10.2
81.07052	50.4
83.08626	11.3
91.05480	3.8
91.32086	2.5
93.07043	10.1
95.08604	32.4
97.06548	3.4
97.10181	6.0
107.08600	4.1
109.10168	12.7
113.00008	100.0
114.16693	3.0
119.08614	5.7
121.10206	4.9
123.11723	6.1
126.00978	2.3
133.10092	5.0
134.22723	2.7
134.25685	2.6
149.13226	3.9
169.02635	22.2
187.03694	9.2
195.22771	3.8
242.19527	2.7
245.22878	4.0
263.23715	6.9
303.86966	2.8
337.27304	80.0
338.27701	4.6
357.13513	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	450.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05497	1.6
57.03429	1.3
58.99582	2.7
61.01131	0.9
68.05018	2.2
69.03413	1.2
71.04979	2.7
73.01123	2.6
73.02907	3.2
74.00662	3.2
79.05470	1.1
80.05011	2.8
82.06565	0.9
83.04987	1.1
83.96404	0.8
84.04485	3.4
85.02897	11.1
86.99030	5.1
87.02688	7.4
88.02209	2.6
89.00600	2.3
91.05471	2.0
95.02274	1.1
96.04508	1.6
97.01071	0.9
97.02989	1.0
98.06036	2.7
99.04446	11.7
100.61258	0.9
105.07012	1.8
107.08585	1.8
108.04460	2.6
109.02824	1.4
110.06017	5.8
112.02169	2.1
114.03743	20.7
115.02143	21.9
115.05450	0.9
117.07005	2.6
119.08573	2.6
120.99584	1.2
126.05496	5.1
127.32424	1.0
135.04437	2.1
135.08018	7.3
137.05931	1.6
140.01639	9.8
142.03130	6.5
143.08539	1.0
145.06453	2.6
147.06932	1.2
147.08038	4.6
154.04968	5.4
156.06569	1.6
156.09334	1.3
158.02693	1.8
159.08055	5.8
160.04251	16.5
160.08807	2.3
161.02664	4.0
162.02129	1.2
166.07718	1.2
170.06332	3.5
171.08029	1.0
172.06024	3.7
173.05962	3.0
173.09641	1.0
175.07524	11.1
178.05392	1.7
180.04745	2.4
183.08026	1.4
185.09656	1.1
186.02229	6.5
187.07553	2.1
188.03685	2.7
188.08284	6.4
189.09068	7.9
198.05817	29.6
199.11115	7.3
203.06830	1.1
203.10670	2.1
204.03259	2.3
212.08232	6.5
213.09135	2.5
216.06883	1.0
226.05289	1.5
227.10640	28.4
228.11118	1.3
244.06334	8.5
245.11705	100.0
246.12015	3.6
262.07428	1.1
279.10382	1.4
362.14612	1.0
399.66357	1.1
432.14557	4.9
450.17126	3.8
451.19244	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05693	2.2
51.51045	2.3
55.01188	2.4
55.01884	2.2
57.03434	51.0
58.10059	2.2
58.56079	2.5
59.05000	2.8
60.15992	2.3
61.02923	16.5
69.03430	37.3
71.01359	5.9
73.02913	100.0
81.03410	6.4
85.02901	67.5
87.04472	6.0
91.05454	4.5
93.07038	9.7
97.02889	71.5
99.04463	3.3
105.07046	3.8
109.02869	3.4
111.04396	3.6
115.03925	63.4
119.32414	2.5
121.06487	17.4
123.45400	2.3
127.03916	20.6
133.04968	22.5
139.07539	70.0
145.04941	26.8
151.07526	3.0
163.06023	10.4
217.08682	2.8
223.05968	5.1
228.39528	2.9
235.09669	2.8
241.07071	5.8
288.05911	5.2
295.10281	4.9
301.92462	2.8
450.18115	57.9
451.18399	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05693	2.2
51.51045	2.3
55.01188	2.4
55.01884	2.2
57.03434	51.0
58.10059	2.2
58.56079	2.5
59.05000	2.8
60.15992	2.3
61.02923	16.5
69.03430	37.3
71.01359	5.9
73.02913	100.0
81.03410	6.4
85.02901	67.5
87.04472	6.0
91.05454	4.5
93.07038	9.7
97.02889	71.5
99.04463	3.3
105.07046	3.8
109.02869	3.4
111.04396	3.6
115.03925	63.4
119.32414	2.5
121.06487	17.4
123.45400	2.3
127.03916	20.6
133.04968	22.5
139.07539	70.0
145.04941	26.8
151.07526	3.0
163.06023	10.4
217.08682	2.8
223.05968	5.1
228.39528	2.9
235.09669	2.8
241.07071	5.8
288.05911	5.2
295.10281	4.9
301.92462	2.8
450.18115	57.9
451.18399	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
54.05609	1.0
55.01865	3.0
57.03434	6.2
61.02918	7.4
65.03919	1.8
65.95013	1.0
67.05518	1.2
69.03424	14.3
70.97720	1.9
70.98080	1.2
71.01380	1.0
71.04984	2.5
73.02925	6.3
81.03434	6.0
85.02896	68.6
86.03247	1.2
87.00825	2.1
87.04506	1.1
91.03971	5.0
91.05472	100.0
92.05824	2.0
93.07018	3.1
97.02886	39.3
99.04451	4.6
105.01871	3.8
109.02848	8.1
115.03910	5.1
121.06502	8.9
127.03907	21.8
129.07031	1.5
133.06444	1.9
139.07584	1.9
145.04944	30.9
145.06151	1.8
149.05989	3.3
157.06540	1.4
161.04424	3.6
163.06003	10.2
167.07013	7.8
175.07567	1.3
187.07481	2.0
217.08636	3.0
235.09732	1.9
253.10774	1.5
450.16296	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	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01866	3.0
57.03435	44.7
61.02926	18.6
66.69358	2.2
69.03428	44.3
71.01344	4.7
73.02915	89.0
81.03410	6.3
82.88944	2.1
85.02902	100.0
85.03418	4.8
87.04472	4.3
91.03959	5.3
91.05481	9.2
93.07054	5.5
97.02885	72.8
98.23450	6.2
99.04403	3.4
103.03935	2.9
109.02857	10.3
115.03933	53.7
121.06503	93.6
127.03902	31.6
132.06596	2.7
133.04968	13.9
145.04962	39.0
145.06473	10.2
150.07645	7.1
151.07542	2.8
153.06856	2.1
157.06422	3.3
159.08032	9.4
163.06012	16.0
163.07382	3.6
165.83047	2.1
169.06471	2.9
175.07561	7.3
179.07014	3.4
187.07518	29.2
199.07533	4.4
205.08612	24.6
217.08621	10.7
223.05988	6.7
229.08562	15.5
235.09674	10.6
241.07059	8.3
247.09683	14.8
259.08185	4.0
260.39316	1.9
265.10733	11.7
295.10168	5.7
299.18622	2.0
303.75702	1.8
417.15759	2.0
435.45770	2.3
447.21786	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.5
55.01859	9.8
57.03428	10.7
59.96613	3.4
61.02909	10.6
67.05501	4.4
68.99780	3.7
69.03427	46.5
70.55811	6.1
70.56151	3.9
71.04987	8.2
73.02901	10.0
75.04462	6.1
79.05489	14.1
81.03416	41.0
81.07055	12.6
85.02898	100.0
86.09701	5.5
87.00828	63.2
91.05464	12.4
93.07039	49.6
95.04956	12.7
95.08580	14.5
97.02884	58.6
99.04443	15.5
105.01865	66.9
105.07015	17.2
107.08588	8.9
109.02865	41.4
109.06541	5.8
111.08065	6.2
119.08564	12.0
120.08089	4.8
121.10148	78.9
123.08068	5.6
123.11724	7.9
127.03910	73.9
129.01849	5.0
131.08514	5.0
132.48932	3.5
133.10139	3.8
139.11174	6.9
140.39366	3.6
145.04935	37.5
145.10170	5.8
149.09598	28.9
154.13414	3.4
159.02834	17.3
167.10655	29.8
191.10544	3.7
231.04944	17.3
249.06029	8.6
257.11728	5.4
287.05453	6.2
288.05795	21.1
379.13779	4.6
397.14807	8.8
402.97137	3.3
458.46765	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05485	0.5
57.03423	0.6
60.07097	0.2
65.03917	0.4
67.01846	0.4
67.05495	1.9
67.50167	0.2
68.05022	4.9
69.03426	1.0
69.07040	0.6
70.06593	0.3
71.04977	0.3
72.04497	0.4
79.05480	0.6
80.35695	0.2
81.03403	0.5
81.07047	1.0
82.06554	0.7
83.04947	0.4
84.08126	0.2
85.02887	0.7
86.09685	0.4
87.04485	0.2
88.03974	0.3
91.05466	1.2
91.24725	0.2
93.07025	2.1
94.06595	1.0
94.07109	0.2
95.04960	1.4
95.08594	0.8
96.04482	24.4
96.08122	0.2
97.02892	0.5
97.04820	0.4
97.06518	0.5
99.04435	0.8
101.02376	0.6
101.44807	0.2
105.07020	0.8
107.08567	1.5
108.08092	0.6
109.02880	0.4
109.06488	0.6
109.10117	0.5
110.06049	1.4
110.06693	0.3
112.07573	0.9
119.03405	2.5
119.08549	0.7
121.06488	0.5
121.10114	0.5
122.06021	5.6
123.08064	0.5
123.11639	0.3
125.09604	0.2
126.05524	0.2
126.09126	0.4
127.03897	0.6
128.07071	0.9
131.08510	0.6
133.10112	0.6
135.08011	0.5
135.11673	0.5
136.07558	0.9
137.09595	0.3
138.05476	0.7
138.09067	0.4
140.07047	100.0
141.07417	2.3
143.08490	0.3
145.04871	0.2
145.10042	0.4
147.11679	0.3
148.07480	0.2
149.09647	0.5
151.11176	0.3
154.08629	1.9
155.08542	0.2
157.10077	0.3
159.11641	0.3
161.09605	0.9
164.07082	1.2
166.08696	0.3
167.10674	0.2
171.11641	0.4
173.09555	0.3
173.13252	0.4
175.11148	0.2
179.10587	0.3
182.08118	6.3
183.08398	0.2
184.07336	0.3
191.14328	0.8
192.10199	0.3
200.09175	0.3
201.03777	0.2
206.11726	0.4
211.38696	0.2
220.09619	0.4
245.15331	1.4
248.12808	0.8
263.16376	0.5
266.13806	1.2
288.05847	0.5
291.55743	0.2
302.17700	0.2
331.81934	0.2
354.20572	1.0
372.21655	12.9
373.21976	1.1
390.22717	24.7
391.23099	1.5
400.68130	0.2
432.23734	1.3
450.24832	7.1
451.25180	0.5
477.02289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	4.6
69.03420	5.9
70.06578	8.3
79.05503	3.7
80.05042	2.7
81.03419	3.0
86.06077	4.9
87.04456	19.0
91.05444	4.1
92.58601	2.3
93.07043	5.3
94.06555	2.8
95.08599	4.7
97.06559	3.4
98.06059	6.8
105.07010	5.1
106.06544	4.7
107.08595	5.1
108.08189	3.3
110.06038	13.9
116.34164	2.4
118.06551	4.9
119.08547	4.5
120.08112	3.5
121.10124	2.7
123.08051	3.8
129.06998	2.6
131.07335	4.2
131.08525	5.3
132.08047	3.1
135.11768	5.8
136.07541	13.0
137.09637	3.3
138.05595	2.7
143.08572	2.5
146.09558	4.0
147.60268	2.2
148.35365	2.2
150.09158	13.1
152.07086	16.9
157.10133	3.4
160.11116	5.6
161.09596	2.8
164.07050	19.3
171.11714	4.5
173.13332	8.4
178.08632	13.5
182.08134	5.3
185.13277	2.7
194.08115	2.7
196.09656	15.8
206.08183	5.5
224.09142	49.3
227.14267	2.7
244.20695	7.9
247.14847	3.1
249.16290	3.2
261.52011	2.6
265.15851	2.7
272.20081	62.1
275.14264	3.2
290.21118	8.7
293.15231	3.5
334.23618	4.0
346.23523	3.4
364.24600	2.4
368.22220	2.6
376.24872	8.6
377.26627	2.4
378.20554	3.8
396.21786	7.9
414.22650	10.5
431.12979	2.3
432.23758	8.3
450.22607	5.5
450.28516	100.0
451.28979	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
57.03429	2.9
59.93105	0.8
67.05499	2.0
68.05023	6.0
69.03424	5.2
69.07063	0.9
69.40975	3.0
70.06581	5.8
71.04967	1.1
73.36974	0.7
79.05482	1.3
81.07044	1.5
82.06580	1.1
83.04965	1.5
86.06060	23.5
87.04461	22.4
89.93410	0.8
91.05454	1.7
93.07031	1.4
94.06572	1.1
95.04943	1.6
95.08582	1.4
96.04483	61.8
97.01334	0.7
97.02895	1.3
97.04799	0.8
97.06508	0.9
98.06040	18.2
99.46389	1.0
105.07007	2.9
105.63693	0.9
107.08585	2.4
108.08102	1.9
109.06519	0.9
109.10136	1.7
110.06036	1.2
111.04411	1.7
119.08559	2.1
121.02884	1.1
121.06516	1.9
121.10107	1.4
122.05981	4.0
123.08062	1.4
124.07591	1.1
129.07030	1.0
131.08580	2.4
132.92842	0.8
133.10112	2.7
135.08000	2.2
136.07565	8.4
137.09613	1.4
138.09109	1.8
143.08537	1.2
145.06387	1.0
145.10176	1.5
150.09125	7.5
151.11162	1.9
152.10654	1.0
154.08618	1.9
157.10153	2.5
159.08018	1.2
159.11613	1.9
161.09602	5.6
161.13153	0.9
164.07043	11.6
169.10132	1.4
171.11652	1.8
173.13225	1.6
175.11270	1.3
177.09213	1.4
178.08624	5.6
179.09091	1.0
179.10718	2.7
180.10172	2.8
182.08113	100.0
183.08415	3.0
183.11771	1.4
185.09688	1.6
185.13257	2.4
187.11212	1.2
189.12776	2.0
191.10660	1.0
191.14369	1.0
195.11577	1.5
196.09663	3.4
197.32578	0.8
199.11209	1.6
201.12793	1.2
206.08105	2.6
208.12328	1.0
209.13312	1.3
213.12732	1.4
217.12181	1.8
219.13721	0.9
225.12653	0.9
227.10614	1.1
227.14281	3.9
231.13777	1.0
235.13266	1.5
241.15958	1.2
245.15312	3.4
255.13898	1.1
255.17331	1.7
263.16397	13.1
264.16730	1.1
265.15744	2.0
269.15210	1.1
283.16940	2.8
293.15359	1.1
311.16406	2.2
312.16672	0.9
329.17435	1.8
368.22238	1.3
378.20660	1.2
386.23172	3.3
396.21481	3.5
414.22696	17.2
415.23102	1.4
432.23792	29.4
433.23798	2.0
450.24835	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	450.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05511	2.6
57.03431	4.3
60.85803	1.1
65.41194	1.2
67.05503	3.0
68.05009	6.3
69.03426	6.3
69.07065	3.2
70.06601	4.5
70.70812	2.3
70.71143	1.4
71.05017	1.3
71.07353	1.5
79.05485	2.4
80.05019	1.5
81.03473	1.4
81.07056	4.5
83.04974	2.6
83.08601	1.4
85.02891	1.4
86.06061	34.0
86.09702	8.0
87.04462	29.4
91.05477	3.5
93.07050	5.6
94.06522	1.7
95.04987	3.4
95.08619	2.1
96.04490	72.5
97.02903	3.9
97.06505	1.6
98.06039	12.7
99.04435	1.4
100.45474	1.2
104.07114	1.5
105.07045	4.7
107.04984	1.6
107.08599	3.5
108.08150	2.4
109.06525	1.9
109.10146	10.7
110.06052	2.3
111.04507	1.3
116.04485	1.4
119.08590	4.6
121.06529	2.2
121.10167	2.4
122.06015	6.5
123.11697	4.5
124.07619	1.7
125.00027	3.8
127.03850	1.8
131.08574	5.6
133.06480	1.4
133.10127	7.8
135.08092	3.0
135.11772	1.4
136.07565	7.2
138.09200	1.5
140.07057	4.9
143.08607	2.6
145.10092	2.9
147.08058	3.0
147.11688	2.3
149.05925	1.4
149.09601	3.8
150.09160	5.6
151.11191	9.9
154.08612	2.2
155.08551	2.0
156.09351	1.7
157.10124	3.3
159.08043	2.4
159.11717	4.3
161.09601	7.8
161.13251	2.4
164.07063	8.4
169.10112	1.9
171.08260	1.2
171.11681	3.1
173.09666	2.6
173.13220	1.7
174.31502	1.3
175.11182	3.9
177.09116	1.8
178.08632	3.6
179.10696	14.1
180.10201	1.6
181.10046	1.7
182.08124	100.0
183.08447	3.1
184.07343	18.8
185.13278	3.1
187.11206	1.5
189.12759	2.8
191.14307	1.8
196.09711	3.5
197.09657	1.9
199.11195	2.7
199.14830	2.4
201.12804	1.5
206.08084	2.3
209.13406	2.3
213.12807	1.5
217.12202	2.1
224.09261	1.5
225.12639	1.3
227.14287	4.1
245.15370	14.0
263.13580	2.7
263.16400	54.4
264.16800	1.9
265.15829	1.6
269.15280	2.5
283.16898	3.6
293.15213	1.6
301.18079	1.7
329.17422	3.5
372.21686	2.1
386.23074	2.6
390.22623	2.6
392.08856	1.4
396.21719	3.2
414.22729	20.0
432.23813	40.5
433.24173	3.9
437.56860	1.4
450.24985	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	450.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01856	4.1
55.05497	2.4
57.03421	6.8
65.03937	2.2
65.15278	1.6
67.05505	11.8
69.03419	2.6
69.07056	3.0
70.02932	2.9
70.06594	3.0
70.68839	2.8
72.04510	8.4
74.06054	5.4
74.27328	2.0
79.05470	4.3
80.05006	4.1
81.07051	4.4
82.02927	2.0
82.06570	5.0
83.04953	4.3
85.02912	2.2
88.03950	2.2
90.18951	1.7
91.05461	6.0
93.03396	3.3
93.07049	9.9
94.06557	15.6
95.04955	3.3
95.08587	4.3
96.04484	6.2
96.37749	1.8
97.02854	1.7
98.06066	3.2
100.07586	1.8
101.02354	2.4
105.07021	9.6
107.08592	11.3
108.08085	10.6
110.06017	11.4
112.07557	8.7
117.07022	2.4
119.03387	6.1
119.08560	9.0
121.06527	2.9
122.06017	46.6
123.08072	3.2
124.07559	2.7
126.05502	23.1
126.09126	6.3
128.07083	3.4
129.06982	4.1
130.07704	1.9
131.08543	3.7
133.06508	1.8
133.10097	7.2
135.08051	2.5
135.11682	4.3
136.07536	14.3
137.09605	3.3
140.07039	60.5
142.07657	3.2
143.08534	4.7
145.10106	6.8
147.07983	4.2
147.11670	5.4
149.05977	2.4
149.09608	4.0
152.07071	5.0
154.07445	3.5
154.08615	44.6
154.12247	2.1
155.08620	2.4
156.09303	4.1
157.10101	8.1
159.11617	5.5
161.09601	2.5
161.13286	2.7
164.10660	2.0
169.10089	6.4
170.10793	2.2
171.11679	16.3
173.09627	6.7
173.13278	5.8
175.11179	8.2
181.10147	2.1
182.08121	41.4
182.11707	7.7
183.11688	5.5
185.09659	4.4
185.13235	10.3
187.11099	3.7
189.12750	11.0
191.14253	5.2
197.09520	2.9
197.13174	3.4
198.10434	2.5
199.11186	7.7
199.14769	8.8
199.76031	1.9
201.12744	1.7
203.10699	2.9
203.14226	2.7
209.13303	5.2
212.12097	3.2
213.12709	6.5
214.13533	9.7
215.14322	2.7
227.14293	24.6
236.12819	1.8
240.24590	1.9
245.15315	7.3
246.14911	3.3
248.12772	3.3
249.16307	2.0
265.15735	1.9
266.13895	2.3
276.03931	2.0
283.64069	2.0
284.16495	3.2
288.19629	2.5
298.17996	6.2
300.15985	2.2
302.17706	4.3
308.20105	2.2
312.19562	4.2
314.17456	1.8
316.18982	9.1
326.21085	6.7
336.19373	6.1
344.22198	2.9
354.20593	35.7
355.21173	2.5
372.21637	100.0
373.21927	7.5
390.22574	16.4
391.23029	2.3
414.22504	1.9
432.23828	35.0
450.25107	8.6
451.09729	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	450.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14244	3.9
55.05506	8.0
57.03433	5.9
61.62104	4.0
67.05492	16.5
69.64380	11.3
69.64771	10.3
79.05447	5.1
80.05034	4.8
81.03427	37.6
81.07059	8.2
91.05480	12.5
93.07035	11.3
95.04971	47.3
95.08620	5.3
98.23367	9.9
105.07036	23.3
105.53265	4.1
107.04983	6.3
107.08571	9.8
109.06526	8.3
119.05045	6.1
119.08585	12.0
121.06504	6.4
121.10143	23.4
123.04472	7.7
128.06268	6.3
129.07022	4.5
131.08578	14.3
133.06531	5.9
133.10135	61.0
135.08049	12.0
138.83122	4.2
143.08604	6.8
144.93001	4.8
147.08093	6.2
157.10194	9.3
159.08044	6.2
161.09647	21.0
169.10117	13.1
171.11722	5.7
173.09644	5.0
173.13283	19.3
181.10165	6.1
183.11621	5.8
185.09631	8.0
185.13167	6.2
187.07544	12.5
187.11220	10.0
191.14326	15.1
193.08554	5.6
197.09616	23.9
199.11165	10.7
209.13177	5.5
211.11172	6.8
213.09204	8.7
213.12738	14.0
219.14101	5.1
223.11168	5.5
225.12779	10.8
235.11330	4.4
239.10771	6.9
243.10291	5.1
253.12286	8.1
253.15919	5.6
267.17444	14.4
277.15869	7.7
285.18564	9.7
295.16916	100.0
296.17075	6.9
313.17877	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
58.62538	2.4
63.00814	2.4
65.03943	3.6
67.05499	33.9
69.07075	4.2
69.72633	11.8
76.22353	2.6
79.05481	7.1
80.37103	2.5
81.07052	42.6
83.08620	9.4
88.07642	3.3
88.62787	2.5
91.05467	13.2
93.07057	13.1
95.08597	41.2
105.07018	4.3
107.08579	7.0
109.10146	21.4
119.04948	23.7
119.08591	5.1
121.10148	11.0
123.11729	10.8
133.10153	10.6
135.11685	10.2
137.09624	6.6
147.04396	100.0
149.02333	9.6
149.13289	4.3
151.11194	6.1
159.11725	4.5
165.05466	10.7
169.12241	3.4
193.04958	10.8
195.13785	3.7
209.15222	2.7
215.17934	17.4
222.66150	2.5
233.19025	12.0
251.20049	42.2
284.29514	3.1
450.32086	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	450.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07075	6.5
58.06590	2.4
59.80481	0.5
65.03932	3.1
69.09769	4.5
70.06590	18.6
71.08630	3.2
79.82247	0.6
83.04967	0.9
85.10138	0.9
88.07627	21.2
92.62758	0.7
98.23450	1.1
102.08523	1.0
102.09175	16.4
121.02872	1.4
139.03882	1.9
149.02339	85.7
149.03427	6.8
150.02658	1.3
193.04955	87.5
194.05270	2.4
196.51280	0.6
232.91713	0.6
284.29459	44.7
285.29880	2.0
353.34250	0.7
450.32132	100.0
451.32413	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	451.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.05510	15.1
57.07071	27.6
67.05490	3.1
71.04988	14.5
76.55613	2.4
80.94889	3.9
82.99001	10.2
83.04979	61.0
83.32999	2.8
84.09205	2.5
85.35629	2.4
91.05469	5.0
98.98461	3.1
106.53888	3.0
109.02888	3.7
117.01035	34.7
129.07005	6.8
135.02090	8.0
147.02034	15.3
147.08049	3.2
147.11678	7.7
165.03108	35.4
174.87852	2.7
175.01552	100.0
181.02621	11.6
227.04720	9.3
231.07787	12.7
263.14035	2.9
275.06787	16.2
291.68033	3.3
313.12064	5.4
321.03079	4.2
331.13028	64.4
339.03909	6.1
377.09119	23.1
387.19220	36.9
395.10132	57.5
396.10464	4.3
432.70578	2.7
433.15396	32.7
434.15955	3.7
450.37799	7.0
451.16473	58.6
451.38519	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	451.1937
Annotation	Oligandriortholactone
Peak:m/z	Relative Intensity
52.07185	0.5
55.60678	0.6
55.95740	0.5
67.05502	0.9
69.03423	1.5
73.26083	0.4
79.05492	0.9
81.07029	0.8
91.05479	1.4
93.07037	3.2
95.04960	2.7
95.08605	1.5
97.02879	3.7
101.99968	0.6
105.07031	3.0
109.02850	0.7
111.04404	0.5
113.06018	1.0
119.08574	1.4
127.62026	0.6
128.06276	0.6
133.10127	1.3
133.88539	0.5
142.07764	1.3
143.08566	0.6
157.10149	0.8
163.07501	1.0
180.31822	0.5
185.09627	2.6
203.05247	13.8
253.12057	0.8
271.12921	3.9
289.13950	1.1
362.93634	0.5
451.19373	100.0
452.19876	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	451.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05083	11.8
67.05479	13.0
69.44205	58.6
69.44595	26.5
71.08656	15.2
88.06565	12.0
88.14580	12.2
98.22719	14.6
104.61049	13.1
110.47037	14.2
113.00005	100.0
142.34834	13.2
169.02629	94.4
173.48631	12.8
292.82129	12.4
327.86514	11.6
339.28976	39.6
341.51376	12.8
372.65659	11.5
398.63300	12.8
467.41919	13.2
470.19174	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	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64041	1.7
56.73675	1.5
57.03424	8.8
59.11889	1.7
61.02925	2.9
69.03429	11.4
71.01337	1.7
71.70493	1.7
73.02913	22.2
79.05511	2.0
81.03418	3.0
81.07034	3.7
85.02908	12.8
90.05547	100.0
95.04976	5.2
97.02894	12.2
99.04464	2.0
109.02880	18.5
109.06519	5.9
115.03914	11.3
122.02331	2.1
127.03925	5.8
133.04973	3.1
137.05975	8.4
141.05472	17.2
145.05063	2.9
147.04411	2.9
150.07642	2.3
151.07559	1.7
163.05994	2.1
165.05467	8.0
183.06546	6.0
237.07593	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.05501	0.4
56.05035	0.7
57.03444	0.4
58.06369	0.2
58.06619	0.5
60.08165	6.9
60.08468	0.4
67.05497	0.9
68.74100	0.2
69.03367	0.2
69.07070	0.4
69.13434	1.2
69.13847	0.5
71.07369	3.2
77.59760	0.2
79.05483	0.9
81.07054	1.0
85.02877	0.3
86.09702	30.4
87.10021	0.6
93.07046	0.8
95.08627	0.2
97.06509	0.3
98.22654	0.3
98.98462	2.5
100.11262	0.4
104.10751	3.7
105.07047	0.2
107.08591	0.3
121.10133	0.4
124.99998	21.3
133.10092	0.2
138.84653	0.2
143.01178	0.2
184.07333	100.0
185.07661	1.3
255.15898	0.4
304.44614	0.3
408.13498	0.3
434.23209	1.0
452.12296	0.9
452.23944	3.2
453.34256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	1.0
55.05508	13.4
57.03189	0.6
57.03439	8.3
57.07067	5.5
58.80876	0.5
67.05504	9.7
69.07063	19.9
69.51676	2.5
71.08623	2.3
73.57703	0.5
79.05498	4.0
81.07052	12.0
83.04993	0.6
83.08613	10.8
85.06528	1.3
85.10157	1.1
91.05481	0.7
93.07032	6.9
95.08603	10.4
97.06522	2.0
97.10163	5.9
98.98483	0.6
103.01795	0.6
107.08595	3.6
109.10136	3.2
111.08102	1.2
111.11691	1.4
121.10131	5.9
123.11712	2.0
125.09575	0.6
135.04433	0.8
135.11682	4.6
136.93094	1.2
137.13219	0.7
139.11168	0.7
149.02335	0.6
149.13248	1.7
154.94138	1.6
163.03885	21.1
163.14832	0.8
172.95206	4.7
190.96378	1.7
193.04675	0.6
207.06509	31.8
210.96782	0.7
216.06287	0.6
217.15977	0.5
219.21068	1.0
228.97783	1.8
237.22124	1.3
280.26471	1.7
296.66638	0.6
311.25769	100.0
312.26086	4.3
382.70377	0.6
452.30325	2.5
453.16876	3.5
471.18146	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
55.33025	1.6
57.03434	5.6
57.07074	3.8
59.71989	1.4
60.92740	1.3
62.06087	21.9
65.82645	1.6
67.05510	10.7
69.07064	17.3
71.08623	2.2
79.05500	4.0
81.07050	14.3
83.08617	12.3
86.22293	1.5
93.07040	7.1
95.08598	9.8
97.06526	1.7
97.10184	5.6
98.98482	6.2
107.08609	3.6
109.10180	4.2
121.10152	5.7
135.11693	5.0
155.01067	9.2
163.03847	10.8
170.15379	1.6
174.65283	1.6
207.06531	13.8
216.06360	2.5
237.22182	3.2
280.26376	9.7
311.25769	100.0
312.26117	4.6
391.22177	3.1
452.16290	2.6
453.17294	2.5
471.18091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	73.8
64.16470	0.8
66.59163	0.8
69.40247	1.1
71.04980	1.4
71.05307	1.0
83.70061	0.8
84.96031	2.9
89.03913	2.7
95.23901	1.0
98.12894	0.9
98.97582	17.8
100.11250	4.8
110.97594	1.5
112.99153	4.9
115.00708	1.5
116.98605	8.1
117.03380	3.1
118.88549	1.1
123.01138	1.0
124.99110	8.5
127.00665	1.5
128.98587	2.4
131.00150	6.6
134.99641	1.7
135.04401	5.8
139.00661	3.4
141.02216	10.0
143.00162	19.0
145.01743	1.9
145.02844	3.4
146.99597	1.5
149.01236	2.9
151.00700	2.0
157.01717	3.7
159.03288	15.2
160.07523	1.3
161.01202	21.3
163.03900	14.4
167.00180	3.8
168.98094	1.3
169.01709	8.6
170.99649	2.5
175.00627	8.8
175.02831	1.0
177.04382	2.8
179.02251	2.8
181.01707	1.2
185.01196	16.0
186.99144	4.5
187.02786	17.1
189.00716	5.1
191.00165	2.7
193.01732	18.6
194.99658	3.6
195.10165	1.0
200.98660	1.5
203.02272	22.6
205.00102	2.2
205.03809	5.0
206.99548	1.0
209.01195	15.1
211.00949	1.9
211.02774	19.2
213.00688	17.9
213.02605	1.7
218.99615	9.3
219.01425	1.1
221.03328	12.1
225.00693	1.3
227.02266	4.1
227.17519	5.0
229.03819	6.0
231.01741	28.6
236.98222	1.3
237.00671	28.8
249.02802	22.7
255.01755	94.8
256.02155	2.1
267.03839	3.5
273.02808	100.0
274.03107	2.8
278.03189	1.5
291.03973	2.1
296.04419	1.3
305.03409	1.4
307.04996	1.6
309.04678	1.2
311.04181	2.6
323.04327	8.2
331.05048	1.1
341.05344	1.8
347.04245	3.0
349.02118	2.6
349.05997	5.8
351.03757	1.3
357.02484	1.0
365.05341	5.3
367.03336	6.6
367.07031	2.0
375.03857	8.4
385.04385	1.2
393.04910	25.5
394.05350	1.4
400.05688	1.0
411.05951	45.0
412.06540	1.6
429.07056	32.7
430.07541	1.1
453.06973	10.2
453.13324	2.1
459.89554	1.0
471.08081	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.6
69.03440	4.3
69.16478	18.5
69.16885	7.4
70.06594	4.8
81.07059	5.1
83.04944	4.7
83.08617	10.7
85.02893	10.7
91.05500	4.4
93.07034	4.2
96.03970	4.1
98.99885	3.6
100.07614	8.8
100.11250	100.0
105.07038	4.3
109.02848	4.1
111.04413	8.9
115.02171	7.2
119.08579	5.3
121.06440	4.4
126.09117	4.6
127.03928	3.5
128.07133	5.4
139.08644	5.6
149.09619	10.1
149.40053	3.5
151.85664	3.4
159.08054	40.7
161.02660	6.3
165.09219	5.8
177.05438	4.3
182.15416	29.6
187.07541	45.8
205.08589	81.8
209.16498	19.6
210.14876	33.4
226.19135	7.5
227.17575	6.9
326.28149	5.5
336.22610	5.3
352.39206	4.4
363.99420	4.2
385.11633	8.0
389.81235	5.0
435.33224	16.0
444.34045	6.4
453.11679	15.0
453.20230	55.9
453.34415	62.6
453.84308	10.0
454.20392	11.6
458.06491	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05505	16.8
65.36870	0.2
71.45629	0.1
83.04974	100.0
84.05302	1.3
89.06033	0.3
91.05465	0.2
105.07056	0.4
117.06966	0.2
119.08538	0.3
121.06524	0.3
128.11115	0.2
129.06992	0.2
130.84064	0.2
145.06453	0.4
147.08121	0.2
159.08087	0.3
161.05959	0.3
171.07947	0.2
175.07542	3.2
182.07224	0.8
183.08022	0.8
195.08110	0.3
197.09592	3.4
207.92776	0.2
209.09637	0.6
210.66475	0.2
211.11276	0.2
224.11079	0.2
225.09100	0.4
226.09868	1.6
229.12196	0.2
231.70789	0.2
257.11734	1.8
338.12964	0.4
353.15384	0.5
355.13266	0.7
369.14825	0.4
371.16391	8.7
372.16611	0.5
403.60278	0.2
435.19226	0.3
453.20532	14.9
454.20969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55015	0.7
55.05511	4.8
57.03437	1.0
58.57341	0.7
62.77300	0.7
67.05494	0.8
67.46952	0.7
69.03436	1.3
69.20290	3.6
69.20708	1.3
70.06599	1.0
71.04985	0.9
81.03417	0.9
82.06583	0.7
83.01122	0.8
83.04982	1.0
83.08607	3.5
85.02905	3.4
91.05466	0.9
93.07052	1.4
95.08612	1.4
97.02891	1.6
100.07578	0.9
100.11249	18.6
105.07027	1.8
107.08596	1.3
109.02809	0.7
111.04432	2.9
114.09166	1.6
117.03393	1.0
119.08604	1.2
121.85286	0.7
128.07076	1.2
131.08554	1.1
135.08040	1.0
142.15804	0.7
143.08498	0.9
145.02821	1.8
145.04942	1.4
145.10117	1.5
147.11678	0.9
157.10100	2.8
159.08049	2.1
159.11710	1.6
173.02034	1.8
177.05444	5.7
182.15384	5.7
185.04227	1.2
187.07466	2.0
197.13383	1.0
203.05284	6.8
205.08516	8.6
209.16426	5.5
210.14900	4.5
214.95158	0.8
217.08386	8.2
226.19144	1.9
229.12209	0.8
273.14630	7.3
276.06943	0.9
291.12027	5.1
291.15524	2.2
317.11911	0.8
326.27856	0.7
336.22769	1.0
343.13586	2.5
355.46695	0.9
365.28317	0.8
367.13644	7.6
377.08078	1.5
391.13452	0.8
409.09378	1.7
409.14594	26.8
410.14948	1.4
421.07471	12.6
435.12341	1.6
435.20200	1.6
435.33319	6.2
453.13626	23.0
453.20822	100.0
453.34192	22.5
454.13589	1.3
454.21899	5.6
454.34445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2095
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
55.05508	2.4
64.40069	0.3
70.06572	0.6
71.43876	0.4
81.07028	0.4
82.06553	0.4
83.04962	0.5
83.08615	1.3
85.02922	0.3
91.05463	0.5
100.07632	0.7
100.11253	8.8
110.05962	0.4
111.04442	0.8
112.07671	0.3
117.03362	0.4
119.08630	0.4
123.08062	1.4
128.07047	0.5
139.08647	0.7
140.06984	0.4
144.14250	0.3
145.02844	0.7
172.47218	0.4
177.05461	1.2
182.07820	0.3
182.15370	3.1
203.05247	3.1
203.06985	0.4
205.08574	1.8
209.16525	2.6
210.14891	2.5
217.08340	12.6
226.19156	1.2
229.08481	0.3
233.11508	0.5
255.13547	0.5
273.14590	8.6
278.41666	0.3
291.12411	0.6
291.15701	1.3
336.22958	0.6
343.13400	0.7
409.14767	0.3
435.20041	1.1
435.33331	3.1
453.20941	100.0
453.34164	12.4
454.21329	5.3
454.34647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2096
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
53.03915	0.5
55.05515	0.8
57.03441	0.6
62.88067	0.4
66.72362	0.4
69.03426	1.5
73.02892	1.0
81.03422	0.5
83.08605	0.6
85.02900	1.7
91.05475	1.1
97.02888	1.4
98.23462	0.9
100.11250	3.4
105.07006	0.5
109.02943	0.5
111.04418	0.5
115.03933	0.4
117.07005	0.4
128.07079	0.5
129.07072	0.5
131.08572	1.8
135.04446	0.7
145.04941	0.6
145.06425	0.8
149.09657	0.4
159.08049	8.3
173.05994	0.4
182.15410	0.6
185.04146	0.5
185.09818	0.4
187.07513	7.3
188.08205	0.6
205.08582	17.9
206.09012	0.6
209.16512	0.9
210.14871	0.9
229.12488	0.6
273.14774	0.6
280.88574	0.5
291.15765	1.3
367.13925	1.3
435.19882	0.8
435.33392	1.2
446.25867	0.4
453.20947	100.0
454.21185	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	453.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87920	1.0
50.90329	1.0
51.71443	1.0
53.03925	1.4
55.01863	2.8
55.05509	12.6
57.03433	12.3
62.42550	0.9
67.05496	6.7
69.03416	4.9
69.07059	10.5
69.21755	7.0
71.04987	3.5
79.05482	10.1
80.08003	1.0
81.07049	8.7
83.04974	100.0
84.05316	2.5
85.06549	1.2
87.04442	1.6
91.05480	8.6
93.07044	9.6
95.04934	6.3
95.08608	6.8
97.06525	25.2
99.04457	1.7
100.11209	1.3
105.07028	13.4
107.04934	4.3
107.08590	11.3
109.06515	4.4
109.10161	6.9
111.04403	1.5
111.08070	2.7
113.05999	3.4
115.05479	1.3
117.06995	2.7
119.08580	14.6
121.06493	3.2
121.10120	8.8
123.08047	9.7
123.11696	2.1
125.05997	9.9
125.09646	3.7
125.46278	1.1
128.06235	1.5
129.06972	2.2
130.07771	1.6
131.08549	11.2
133.06465	1.7
133.10101	12.2
135.08049	6.3
135.11697	5.5
137.09618	4.5
141.05519	1.1
141.06967	1.6
141.09096	2.8
142.07797	3.4
143.07018	26.4
143.08459	6.7
144.09274	1.5
145.06488	2.2
145.10118	10.8
145.57791	1.1
147.08060	3.5
147.11690	7.7
149.09593	10.5
149.13303	1.7
151.11147	8.7
152.77260	1.1
155.08527	2.5
156.09364	3.1
157.10106	9.2
158.10864	2.5
159.08037	3.7
159.11646	6.5
161.09610	16.7
161.13242	4.5
163.07564	1.1
163.11188	3.2
165.09105	1.6
165.12759	1.6
167.08659	1.5
167.10631	1.3
169.10143	3.5
170.10913	2.3
171.08011	2.7
171.11684	9.2
173.09598	7.5
173.13249	11.7
174.10426	1.7
175.07422	2.1
175.11188	7.4
176.11945	4.2
177.12653	2.1
179.08492	1.7
179.10674	4.4
181.10106	1.5
183.08185	1.4
183.11710	3.1
185.09584	5.5
185.13187	6.5
187.11195	5.5
187.14789	3.0
189.09076	5.8
189.12717	8.3
191.10635	3.5
191.14297	24.6
193.12180	1.2
195.11661	3.6
197.13257	3.0
198.10387	3.9
199.11163	5.2
199.14819	3.6
201.12724	3.7
203.10672	2.9
203.14342	4.4
205.12209	1.6
207.13823	4.1
209.11559	2.7
209.15189	1.7
211.11150	6.1
211.14850	2.2
213.12726	20.7
215.14355	2.8
217.12244	2.2
217.15872	5.1
219.13832	2.6
223.14821	2.5
225.12836	1.6
227.14291	6.8
229.12305	2.7
229.15933	1.9
231.13815	11.9
233.15323	4.2
237.12659	1.3
237.16417	2.3
241.15843	4.6
243.13863	2.5
245.15346	25.6
247.16988	2.6
251.18106	1.9
253.14209	2.1
255.13623	1.7
255.17499	2.6
257.15384	2.8
259.16895	3.4
263.16354	10.0
269.19052	3.9
271.17108	1.2
273.14835	5.6
273.18643	1.3
277.17923	1.5
279.17474	4.4
282.15234	1.8
285.18393	2.9
287.16742	1.5
287.19855	5.3
287.35370	1.5
297.18472	28.5
298.18643	1.4
315.19492	31.0
316.20093	2.0
333.20572	7.2
351.21701	2.4
357.20746	6.9
375.21796	9.6
384.17395	1.4
393.22650	19.0
394.23019	1.4
423.57153	1.3
435.23730	1.5
453.17685	1.6
453.24237	5.2
453.33685	1.7
465.43271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11379	5.5
55.01857	11.6
55.05491	7.9
56.27436	6.0
57.03428	40.0
57.03666	6.3
57.07073	8.5
67.05501	14.2
69.03414	13.1
69.07058	35.3
69.66643	15.7
69.67030	14.0
79.05486	29.6
81.07046	38.6
83.04984	15.9
91.05466	20.9
93.07021	25.1
95.04970	16.0
95.08594	18.2
97.06528	100.0
100.11274	7.2
105.07030	26.3
107.04974	5.9
107.08592	18.6
109.06512	12.6
109.10118	12.7
111.08059	10.0
117.07003	9.5
119.08561	29.8
121.06531	13.1
121.10117	15.0
123.08100	32.2
123.11713	11.2
125.06012	36.3
129.07059	7.9
131.08574	19.6
133.10112	23.9
135.08018	22.2
135.11702	9.7
137.06004	6.1
137.09607	12.2
139.07622	6.4
139.11188	11.8
142.07838	9.0
143.07039	73.8
143.08095	7.3
143.08643	9.9
145.10120	21.7
146.95457	5.7
147.08044	10.9
147.11682	20.1
149.09543	30.3
151.11166	22.6
156.09265	6.1
157.10132	22.5
158.10936	7.8
159.08066	13.5
159.11668	16.3
161.09599	37.6
161.13275	17.5
169.10072	8.3
171.11661	23.7
173.09676	12.4
173.13274	15.8
175.11203	13.0
176.11804	6.9
179.10655	13.8
185.09615	10.1
185.13272	19.2
187.11183	25.5
189.12764	24.4
191.10619	11.1
191.14284	60.0
197.13297	8.1
198.10645	6.6
199.11203	16.8
199.14880	21.4
201.12674	12.5
203.14267	10.9
207.13803	26.8
209.11633	8.3
211.11182	16.6
211.14818	7.1
213.12758	39.6
227.14423	30.2
231.13736	14.5
245.15332	16.8
253.14264	42.7
255.17523	11.4
259.17084	7.8
263.16403	13.4
269.18945	13.7
271.16998	7.8
273.18533	16.7
287.19855	9.7
291.15964	8.4
291.19409	6.8
297.18460	62.7
315.19531	40.1
333.20557	25.9
347.21814	8.7
357.20517	11.8
375.21579	37.1
393.22449	8.4
453.34006	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03931	4.6
55.05494	15.0
62.06082	11.4
67.05497	22.3
69.07055	16.6
69.50941	8.1
69.51333	7.3
69.51526	2.7
75.07347	3.0
78.48360	3.6
79.05492	20.3
81.07055	27.7
83.04964	4.8
83.08615	8.9
85.15575	3.3
91.05480	22.8
93.07038	50.9
95.04969	8.1
95.08598	52.5
97.06516	7.5
97.10151	11.7
100.11243	6.5
105.07044	25.8
107.08588	69.5
109.10149	44.1
111.08057	9.9
117.06994	7.8
119.08575	30.5
121.06483	4.4
121.10161	34.5
123.11715	7.7
129.06970	11.0
131.08533	23.1
133.10085	14.9
135.08058	4.7
135.11694	22.0
141.06921	4.4
142.07793	3.6
143.08553	27.1
145.10089	27.5
147.11668	14.9
149.13257	7.4
155.08534	14.6
156.09343	4.5
157.10106	25.9
159.11682	30.4
161.13245	12.5
163.14799	11.6
169.10106	31.4
171.11665	40.7
173.13255	15.9
175.14822	6.1
181.10139	3.6
183.11682	21.5
185.13225	25.9
186.14043	28.2
187.14830	21.4
195.11649	7.0
197.13199	16.5
198.13965	4.5
199.14821	14.0
208.17200	3.7
209.13164	4.5
210.14029	4.5
211.14775	15.4
213.16331	9.1
223.14754	5.8
224.15634	5.4
225.16380	23.7
226.17090	5.3
227.17978	24.0
237.16504	5.0
239.17885	14.6
241.19368	4.4
245.19052	26.0
251.17967	6.2
253.19498	16.4
255.21085	4.0
257.18979	15.6
265.19580	5.6
267.21005	7.3
271.20349	8.8
279.21106	21.0
281.22711	4.0
285.22064	4.4
294.23334	25.4
295.24155	8.7
297.22018	5.3
308.00867	3.7
311.23746	4.6
312.24478	11.8
313.25269	7.2
327.23187	17.4
347.66852	4.2
353.24350	3.7
407.32916	12.1
417.31281	7.4
435.32593	81.5
436.32678	8.2
453.07922	3.6
453.33691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12754	1.6
61.42557	1.5
67.88772	1.6
71.04950	2.6
79.58823	1.4
125.96836	1.6
171.62866	1.7
315.49530	1.6
353.17258	8.5
413.19327	100.0
414.19516	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	454.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18341	10.1
57.02629	10.4
57.03415	11.4
67.05504	12.0
79.05479	11.6
79.52244	9.8
81.07062	14.5
81.76554	10.5
83.04993	23.6
83.08624	11.4
84.05340	11.7
86.21069	11.8
97.06522	15.9
98.22713	25.1
105.07018	13.6
109.10143	17.5
116.74911	9.7
119.08555	14.4
121.10092	18.2
126.40794	10.0
131.08591	18.0
133.10124	13.7
137.02374	13.1
145.10156	10.8
147.07988	10.5
147.11707	16.8
151.03886	16.6
151.11224	14.0
160.08948	10.6
161.09622	18.5
169.04924	11.5
183.11688	14.3
185.13246	13.5
191.14310	11.5
203.14091	11.9
213.12737	26.7
217.12231	21.2
231.13722	16.5
281.15543	12.0
286.15460	10.8
313.18082	12.5
327.15881	36.6
359.18600	100.0
455.22299	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.5
57.03430	9.4
59.13406	2.2
66.03436	2.5
67.05514	4.1
69.07064	4.4
69.87843	4.3
69.88208	4.9
79.05495	14.6
81.07053	66.5
81.07507	4.8
84.94739	2.1
85.06543	10.5
91.05482	6.9
93.07034	12.2
95.04999	2.9
95.08605	8.2
99.04451	4.4
105.07034	10.8
107.08607	15.5
109.06521	26.0
109.10149	8.1
119.08553	12.0
121.06508	3.2
121.10145	12.2
123.08045	5.1
123.11716	2.7
127.07550	15.3
131.08560	10.9
133.10120	14.9
135.08067	5.5
135.11690	8.1
141.91093	2.3
142.45132	2.2
143.08548	3.2
145.10110	12.8
147.11694	5.7
149.09654	4.8
149.13266	3.3
151.11192	8.3
153.12770	3.4
157.10114	5.2
158.10921	3.8
159.11678	4.8
161.09590	3.5
164.35886	2.6
171.11591	3.1
173.09615	3.6
173.13258	18.9
175.11182	8.7
179.10641	2.6
183.11707	4.4
185.13258	3.2
187.11208	14.4
187.14951	2.3
188.11662	2.2
188.13364	2.1
189.12747	10.2
191.14319	31.0
193.12311	2.8
197.13409	4.1
201.12860	3.5
209.15300	5.5
213.12701	3.2
215.14319	25.7
219.13789	7.4
231.13718	4.9
236.13924	3.2
239.17876	3.0
243.17450	4.9
249.15080	2.3
271.16855	5.3
299.20090	19.2
307.52347	2.3
310.31293	2.1
317.21088	19.7
355.57257	2.5
359.22177	8.0
377.23212	100.0
378.23511	8.7
389.75183	2.4
460.65518	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	454.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74227	1.1
55.01865	1.3
55.05496	3.5
57.03431	6.0
58.40854	1.1
67.05501	7.3
67.81396	1.0
69.03429	1.4
69.07050	3.3
70.04511	3.2
70.06576	1.5
71.04987	2.2
78.50782	1.1
79.05486	13.6
81.07051	46.0
82.07378	2.1
83.04977	3.2
83.08605	1.5
85.06552	7.2
85.06979	1.4
91.05479	4.4
93.07019	8.3
95.04959	3.3
95.08586	6.5
97.06545	2.6
99.04454	4.6
104.41570	1.1
105.07006	10.4
107.08578	12.3
109.06513	20.1
109.10154	10.6
110.47625	1.1
117.07001	1.5
119.08559	9.5
121.06525	2.0
121.10122	10.9
123.08056	4.0
123.11689	1.9
125.09677	2.3
127.07523	12.9
129.07014	2.2
130.07761	1.2
131.08551	7.3
133.10120	15.2
135.08078	2.2
135.11681	5.4
137.09599	3.8
142.07770	1.5
143.08557	2.8
145.10123	11.7
147.08112	1.9
147.11703	5.3
149.09612	4.0
149.13237	4.9
151.11176	6.2
153.12752	3.4
156.09341	1.6
157.10135	4.7
157.59352	1.1
158.10930	2.7
159.08083	1.4
159.11667	4.3
161.09602	3.4
163.11137	2.8
163.14845	3.3
167.14279	1.5
169.10027	2.0
171.11696	3.3
173.09602	3.3
173.13234	17.8
175.11169	5.5
177.12733	2.2
179.10704	3.2
183.11736	2.0
185.13222	2.3
187.11182	9.1
187.14801	2.5
189.12691	6.0
191.14281	26.3
193.04936	2.5
193.12219	3.2
197.13196	3.0
201.12784	3.4
201.16399	2.1
203.10623	1.3
203.14294	1.9
207.13782	2.3
209.15378	5.3
211.14865	1.6
213.12770	2.3
215.14270	19.6
217.12263	1.6
219.13794	4.2
229.15936	1.3
231.13785	2.9
237.07576	2.5
239.17862	1.8
243.13770	2.0
243.17397	3.1
249.14857	1.6
257.15332	1.7
271.16977	5.6
271.20340	2.3
275.16580	2.9
281.19009	3.7
299.20081	17.2
317.21060	21.0
359.22101	10.3
377.23193	100.0
378.23755	6.1
413.19244	2.3
450.73706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35991	14.8
57.03417	16.8
62.06091	39.0
67.05504	21.2
69.07091	23.1
71.18862	25.1
73.50349	12.7
75.03289	12.3
75.68625	14.8
79.08285	13.6
81.03404	26.8
81.07064	52.5
91.05433	18.7
95.04983	44.9
97.06511	25.4
105.07047	34.6
107.08628	26.9
109.06519	39.3
109.10148	42.0
119.08620	25.5
123.08036	17.9
133.10120	24.4
151.11230	23.7
152.52652	14.8
153.72127	15.0
171.32600	14.9
173.13263	24.8
175.11189	14.8
179.10764	15.3
191.14351	47.9
214.00604	13.7
237.07568	19.4
313.17969	61.4
331.19058	43.7
377.23080	38.5
391.21042	19.8
413.19708	75.7
454.28500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05513	4.6
57.03431	9.5
57.07074	27.4
59.86639	0.6
66.95363	0.7
67.05499	6.1
69.07068	4.4
71.08273	1.5
71.08630	17.5
71.43172	0.8
72.08137	0.9
76.01029	0.8
80.23025	0.7
81.06716	0.7
81.07066	7.3
83.04979	2.6
83.08598	5.4
85.10174	10.0
89.06023	3.0
93.07028	0.7
94.89566	0.7
95.08605	10.0
97.10153	2.6
109.10143	4.4
111.11667	1.0
121.58669	0.7
123.11708	2.3
125.75367	0.8
137.13246	1.6
200.07837	1.3
226.21201	0.8
239.23714	1.6
257.24808	2.3
266.75281	0.7
282.27917	6.0
299.45767	0.8
313.27341	100.0
314.27631	5.3
348.13303	1.1
352.61261	0.8
380.15866	4.4
472.18393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05509	3.9
57.03438	4.6
57.07072	22.9
62.06086	26.1
67.05499	5.4
69.07063	4.6
69.27451	3.8
71.08627	15.6
79.03439	0.5
81.07059	6.3
83.04952	0.9
83.08624	5.3
85.10172	10.3
88.81144	0.7
89.06001	1.2
95.08601	9.6
97.10162	2.7
98.23534	0.9
98.98454	5.3
107.08537	0.6
109.10154	4.4
115.25098	0.6
117.09136	0.6
117.23696	0.5
123.11684	2.3
124.01615	2.1
142.02625	0.8
155.01033	7.2
163.67329	0.6
173.02101	0.7
173.40758	0.7
198.05318	1.5
216.06314	2.5
239.23752	1.9
268.56143	0.6
282.27927	12.7
313.27338	100.0
314.27692	4.6
393.24066	4.5
436.28088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07073	34.6
63.11958	1.0
69.07080	2.1
69.20129	7.0
71.08627	25.1
73.06557	5.6
82.94207	1.1
83.04974	1.5
83.08619	1.7
85.10174	20.9
87.04481	3.6
89.06027	100.0
90.06367	1.2
97.10151	2.4
98.22771	1.9
99.11743	3.2
107.07040	1.7
107.27941	1.1
115.95952	1.1
117.09119	2.9
133.08598	48.5
134.98183	5.0
151.09801	1.1
155.17967	4.1
168.98170	1.1
177.11208	16.3
182.91762	1.0
183.18607	1.2
195.12299	2.5
199.20560	4.2
221.13892	1.4
225.09186	1.5
239.14978	1.9
243.23219	5.5
264.97040	1.1
283.17520	21.6
287.25891	2.1
437.34604	13.3
454.27054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10490	1.2
74.28609	0.4
91.87968	0.4
121.99459	0.5
141.13710	0.6
190.94728	0.5
195.98589	0.5
200.88718	0.5
264.29831	0.5
282.75482	0.5
310.21460	0.5
399.85294	0.5
455.11581	100.0
456.11963	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	455.1314
Annotation	Nap-Met-OH
Peak:m/z	Relative Intensity
53.79876	0.7
56.96567	1.4
63.54992	0.7
69.03423	0.7
69.77886	1.8
71.04986	1.4
73.02905	1.5
85.02914	1.1
87.73441	0.7
91.45311	0.8
97.02898	1.3
98.97575	2.8
110.97595	1.0
114.98873	0.7
115.03910	1.3
116.98608	1.4
127.11188	2.2
128.98602	0.8
144.10197	7.0
145.12230	7.3
160.46445	0.7
197.04884	1.1
200.24319	0.7
203.05263	2.1
211.40251	0.6
219.01649	0.7
237.02751	3.0
245.06212	0.7
275.16116	2.1
277.17841	3.5
312.15442	1.0
323.07971	2.1
341.08942	2.2
371.57770	0.8
455.13031	100.0
455.22354	29.4
456.13498	7.1
456.22839	1.6
475.94080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
64.03017	0.5
66.35217	0.4
69.86897	0.9
70.06590	0.9
89.05284	0.5
115.69361	0.5
148.30544	0.5
181.04956	0.8
223.65517	0.5
259.09708	0.7
277.61084	0.5
280.90668	0.6
323.10864	1.7
455.15234	100.0
456.15521	5.8
468.92892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14162	0.6
60.40195	0.6
70.06579	1.1
72.08125	1.4
81.23536	0.6
82.00391	0.8
84.08105	1.1
86.09682	1.7
97.02885	0.9
97.56207	0.6
100.11226	1.0
107.55476	0.7
111.64358	0.7
114.10254	0.9
126.99942	0.8
144.10179	44.6
147.04314	1.1
163.03865	1.2
167.03154	1.8
168.13670	0.8
181.04929	2.5
189.08859	2.4
207.09900	100.0
208.10318	3.7
208.60286	0.6
227.05212	4.4
265.95438	0.6
271.04218	31.8
271.89664	0.6
289.05154	1.0
312.15558	3.1
369.15155	1.6
395.00497	0.7
401.67184	0.7
411.10986	1.3
411.16190	19.3
437.13800	1.5
454.35077	1.4
455.15198	57.9
456.15530	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	455.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
57.03430	0.3
61.14665	0.3
65.03931	2.5
67.05492	1.4
68.05018	0.9
69.03415	1.2
70.99945	0.4
82.04181	1.3
85.02892	3.2
93.03393	0.8
95.05042	0.7
95.06076	15.6
97.02881	0.9
97.06519	0.9
105.99992	0.4
108.02094	0.8
110.03677	1.6
113.07112	61.3
114.07437	0.5
125.05991	1.5
138.03053	0.6
142.02570	0.7
144.20981	0.3
153.05455	4.7
171.06500	3.1
181.04924	100.0
182.05260	2.6
275.12360	0.7
293.11273	55.1
294.11487	1.7
455.11298	0.6
455.16586	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	455.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39041	0.6
55.01866	2.2
55.05499	2.2
57.07076	0.9
58.06585	1.7
59.04988	1.0
64.23277	0.6
65.03924	1.8
67.05502	3.4
68.99776	1.3
69.03429	5.4
69.07062	2.4
70.06549	0.6
71.01318	0.8
71.04991	4.5
71.44190	0.8
72.08149	2.2
73.02898	0.8
79.05482	2.4
81.03415	0.8
81.07058	4.2
83.04970	1.9
83.08614	2.8
84.08132	2.9
85.02904	3.1
85.06543	0.8
87.00341	0.5
87.00819	3.3
87.04480	1.0
90.09705	0.5
91.05464	2.8
91.76021	0.6
93.07042	3.7
95.04961	76.9
95.08596	3.5
96.05277	1.1
97.02881	8.7
97.06521	1.7
97.07646	1.0
99.04454	18.0
99.08044	1.0
101.02382	1.5
105.07012	3.3
107.08587	5.3
109.06509	2.7
109.10159	7.1
111.04430	0.8
111.08046	1.5
113.02349	2.5
114.04562	0.6
114.10274	3.0
114.84430	0.6
115.03969	3.1
115.05489	0.8
115.07507	0.7
117.07032	1.1
119.03949	0.7
119.08573	2.6
119.81738	0.6
121.06514	0.7
121.10130	8.1
123.04424	0.7
123.08059	1.1
123.11684	1.9
125.02347	7.8
127.03948	1.1
131.08542	2.6
133.06474	1.2
133.10118	6.4
135.04433	0.7
135.08044	7.8
135.11676	2.3
137.02322	2.7
137.05922	0.9
137.09607	1.1
139.11078	0.6
143.03378	10.4
144.10187	100.0
145.10451	1.2
147.11671	2.1
149.09610	5.2
149.13252	4.2
150.10310	1.1
151.07584	0.9
151.11168	2.0
153.09093	26.4
158.10907	0.8
159.11684	0.6
161.04427	4.6
161.13255	1.5
163.14804	1.9
167.14276	2.3
173.13237	5.0
175.11172	0.6
177.05449	0.8
181.04950	7.4
189.12700	1.8
191.14314	12.2
207.13820	2.8
209.15361	36.6
210.15685	0.9
219.13867	0.9
229.03452	1.4
247.04431	3.5
312.15512	6.9
437.08575	1.3
455.09650	2.1
455.19760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
62.61271	0.7
67.05491	2.6
67.52454	0.8
69.03431	4.2
69.07050	1.6
79.05489	6.0
81.07056	4.8
83.04977	1.7
85.02907	0.7
91.05456	5.9
93.07014	2.6
95.04950	1.5
95.08586	1.5
97.02875	2.8
105.07030	8.3
107.04951	2.7
107.08588	19.2
109.06510	2.0
109.10172	5.4
117.06985	2.3
119.08559	2.5
121.06502	2.4
121.10142	12.9
122.07298	6.2
125.02292	0.8
131.08578	1.9
133.10121	100.0
134.10487	2.6
135.08061	5.9
135.11656	1.0
137.09612	50.1
138.09985	1.0
143.08536	0.8
145.10069	1.0
147.11678	3.2
149.05937	1.7
149.13258	8.3
158.10876	1.7
161.09550	0.8
163.14838	1.8
173.13234	4.8
179.66959	0.8
191.14299	36.3
192.14706	1.5
194.62483	0.9
287.16272	1.0
293.17252	1.8
328.14615	0.8
373.85962	0.8
455.22711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05504	2.1
59.04993	0.7
60.55616	0.6
67.05496	2.5
69.03425	3.3
69.07065	15.3
71.01344	0.8
71.04988	1.2
77.03898	0.8
79.05475	1.6
81.07053	1.7
83.04977	1.2
85.02897	1.9
87.00832	1.2
87.04468	0.9
91.05484	5.3
93.07034	12.8
95.04964	2.3
95.08596	2.9
97.02895	5.1
97.06528	2.3
100.11253	1.1
101.02365	0.7
105.07013	5.6
107.08584	11.2
107.09255	0.8
109.06509	1.4
109.10175	1.6
113.02370	1.4
115.03905	1.6
117.06915	0.7
119.08569	3.5
121.06496	14.4
121.10139	11.9
123.08116	1.5
125.02374	3.5
131.08562	4.5
133.07542	0.8
133.10124	7.6
135.08037	6.8
135.11661	3.9
143.03413	3.7
143.08589	1.0
145.10136	2.9
147.11678	34.2
149.09607	5.8
149.13252	8.3
161.04456	1.3
161.09578	5.2
163.11218	1.5
163.14803	1.7
173.13248	9.3
176.11977	1.4
182.15411	2.3
191.14294	100.0
192.14697	3.5
209.15411	0.9
210.14903	1.4
299.84030	0.7
455.33636	0.7
468.16928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2404
Annotation	Trp Ile His
Peak:m/z	Relative Intensity
55.05519	0.5
58.69181	0.5
61.03652	0.5
63.00860	0.5
67.05508	0.6
77.25035	0.5
81.07067	1.0
127.00003	0.6
135.96640	0.5
187.03647	4.2
196.71947	0.5
260.68933	0.6
264.75708	0.5
266.78604	0.5
291.19299	24.0
292.19531	1.1
455.24045	100.0
456.24289	6.7
483.40829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	0.2
55.05487	0.1
58.06594	2.0
66.58528	0.1
69.03493	0.1
71.04977	0.1
71.26579	0.1
72.08154	2.0
80.58645	0.1
84.08136	1.8
85.02908	0.2
92.75756	0.1
95.04951	0.7
97.02887	0.2
97.07648	1.0
99.04464	0.3
102.05533	0.2
107.08612	0.1
109.10155	0.1
109.99974	0.1
114.10281	2.0
116.07159	0.2
119.08636	0.2
121.10175	0.2
124.77171	0.1
132.11327	0.5
134.93286	0.1
137.02312	0.2
139.61443	0.1
143.03374	0.2
144.10191	100.0
145.10519	1.7
153.09099	0.3
171.06525	0.1
173.13161	0.1
175.14955	0.1
181.04944	6.1
182.05406	0.2
191.14267	0.2
209.15413	0.3
243.09264	0.1
258.34048	0.1
312.15515	8.6
313.15833	0.4
355.93985	0.1
437.08545	0.2
455.09808	0.3
455.19644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01869	1.4
57.03434	0.9
58.98778	0.7
67.05506	1.1
68.02477	0.6
69.03419	2.6
69.07065	0.6
69.38501	2.1
70.06574	3.2
73.02890	1.8
77.03927	1.5
79.05496	3.9
81.03410	4.6
85.02900	2.4
86.09718	1.4
91.05473	12.5
92.05789	0.9
93.07039	43.2
95.04958	11.3
95.08594	2.1
97.02868	1.5
97.06532	0.7
103.05467	2.4
105.04496	2.6
105.07028	2.5
107.04943	3.5
109.06531	1.3
109.39373	0.7
111.08094	0.9
118.06541	0.8
119.07307	2.6
121.06497	34.1
122.06800	0.9
127.03879	1.1
131.04903	1.7
133.06488	3.0
135.04309	0.9
139.07526	2.7
141.01807	0.7
141.87878	0.6
149.05972	59.0
150.06284	1.9
151.07550	2.2
163.03906	1.2
167.07030	100.0
168.07408	2.9
173.04420	1.6
173.77478	0.6
181.04877	0.8
183.68724	0.6
209.08014	1.5
213.08997	0.8
230.11397	0.7
254.83598	0.6
269.12711	1.1
295.11783	1.2
315.13397	4.2
343.10147	2.1
361.11169	5.7
428.21704	1.4
447.33279	0.7
451.62973	0.7
456.15881	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	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01893	2.5
55.05217	1.5
55.05506	3.0
55.72448	1.4
56.96555	3.4
61.02904	1.6
63.13347	1.5
65.14856	1.6
67.05501	7.5
69.03428	5.1
69.07054	3.1
69.49094	8.0
70.06591	4.1
71.01352	3.3
72.56060	1.6
79.05506	2.2
81.03422	2.0
81.07057	2.1
85.02898	13.2
85.95653	1.8
86.09691	2.7
91.05447	2.0
95.04961	21.2
97.02880	6.5
97.06530	11.8
98.22623	1.8
98.97588	7.8
100.11250	4.2
101.11565	3.0
105.07013	2.2
107.08554	1.5
115.05466	3.9
116.98624	2.9
123.04424	4.9
128.06232	2.6
133.06487	2.8
135.04440	1.9
137.02385	2.0
143.08569	5.1
144.10165	29.7
145.04889	2.3
145.10553	8.6
147.04390	2.8
149.05949	2.6
152.06210	2.4
157.10123	1.7
160.05203	29.4
161.05960	68.4
163.03897	15.6
165.05438	3.4
167.08556	5.4
171.08101	4.4
173.05988	8.0
174.06813	1.9
175.03847	1.8
175.07553	4.1
176.88309	1.8
177.00697	2.5
181.04890	2.6
184.05215	2.2
185.09636	4.3
187.07532	4.9
189.09091	100.0
190.09479	3.7
195.08076	7.6
201.09100	2.5
202.06236	2.0
203.10628	2.4
209.04370	2.0
212.10541	1.9
213.09061	15.6
215.07039	21.5
215.10536	4.2
217.08586	6.3
231.10178	10.8
233.08040	39.3
233.10201	3.0
237.02806	3.2
241.08603	2.9
249.11070	3.7
253.11275	2.0
259.09631	69.1
260.10013	2.8
265.45026	1.8
277.10446	8.8
312.15564	2.2
356.48987	2.2
371.13748	5.3
413.14777	4.0
437.33682	3.5
455.34790	7.1
456.09720	2.4
457.14996	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	456.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82387	2.2
54.39258	2.5
55.05509	2.3
57.68050	2.8
79.05511	2.4
81.03416	3.3
83.04990	4.1
88.91181	2.4
91.05493	3.0
94.82736	2.4
97.06536	3.1
105.07008	3.4
107.08595	4.9
110.99606	2.8
119.08565	3.0
121.10133	3.6
134.71468	2.7
135.11684	3.6
145.10112	5.2
147.11652	3.6
149.09608	3.1
159.11707	2.8
159.36237	2.4
163.11130	3.8
165.12704	2.6
173.13176	2.6
200.96404	2.8
210.91025	2.3
301.21494	7.2
304.33130	2.7
313.95755	2.7
319.22351	3.2
355.18765	100.0
356.19135	6.0
379.24734	7.3
379.71292	2.6
415.15518	4.8
415.20892	90.1
416.21118	7.1
472.52966	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	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
55.24895	0.6
57.03176	1.0
57.03434	11.0
57.07062	2.0
61.02919	3.0
64.71087	0.5
67.05478	1.0
69.03425	9.3
69.58694	2.7
70.06580	1.5
71.01339	1.2
71.04984	10.9
73.02912	21.8
73.06546	1.8
73.36681	0.6
81.03444	1.0
83.08616	0.8
85.02902	12.0
87.08109	1.1
95.04953	1.5
97.02888	13.1
109.02878	1.1
109.10139	3.9
115.03922	9.8
127.03958	2.9
127.11182	22.5
133.04973	3.2
137.02290	1.2
138.02693	0.7
144.10194	20.9
145.04945	3.4
145.10574	10.8
145.12224	100.0
146.12532	1.7
147.04393	1.2
161.06044	0.6
163.06010	1.5
181.04965	2.1
182.05342	0.7
209.15347	0.7
215.06778	0.7
241.06976	1.0
313.15829	2.1
317.43573	0.7
438.08569	1.2
456.10095	1.5
457.16568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05507	1.0
57.03432	13.6
57.07073	1.2
57.56029	0.6
59.05001	0.6
59.47686	0.5
61.02923	4.0
67.05485	2.4
69.03425	11.2
69.07053	0.7
69.72791	1.1
69.73151	1.1
71.01347	1.4
71.04983	2.3
71.08624	15.1
73.02911	28.5
74.03282	0.5
81.03404	1.5
81.07048	1.0
83.04949	0.5
83.08605	1.6
83.76387	0.5
85.02403	1.0
85.02896	15.2
85.06532	0.9
87.04437	0.7
91.03960	0.9
91.80857	0.5
95.04942	0.6
97.02884	18.7
97.03493	1.2
98.23389	0.9
99.04485	0.5
99.07447	1.2
99.08083	19.4
106.12840	0.5
109.02875	1.1
109.10141	8.6
115.03925	15.7
115.96932	0.6
121.06497	1.0
127.03909	4.0
127.11182	20.9
133.04939	4.1
145.04935	5.5
145.12224	100.0
146.12518	1.7
146.51640	0.6
163.03860	1.4
163.06021	1.0
163.10896	0.5
223.06030	1.3
230.03499	0.5
241.06946	1.5
241.41878	0.6
259.08032	1.3
295.10199	0.7
336.28775	0.5
372.59415	0.5
422.69135	0.6
456.22803	4.0
457.23978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.03433	20.0
57.07072	1.1
61.02922	4.9
62.51171	0.7
67.05492	2.1
69.03427	13.9
69.07047	0.9
69.53689	0.7
70.03772	0.7
71.01342	1.4
71.04992	1.0
71.08627	23.1
73.02913	34.8
81.03408	1.7
81.07071	1.0
83.08579	1.1
85.02901	17.8
85.03410	1.2
85.06532	2.0
91.03972	0.8
97.02888	23.4
99.04437	1.4
99.08091	28.3
107.08675	0.8
109.02861	1.8
109.10155	7.9
115.03923	16.1
115.05386	0.7
120.08057	0.9
121.06428	0.8
127.03930	5.5
127.11186	25.7
133.04964	3.9
144.54547	0.7
145.04958	5.1
145.12225	100.0
146.12550	2.1
149.06071	0.7
163.03851	2.5
163.05994	1.0
223.06155	1.7
241.06956	1.6
252.92979	0.8
295.10379	0.9
317.26114	0.8
456.17020	1.2
456.22690	4.9
457.23923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
55.05510	4.1
57.03184	4.1
57.03437	49.6
57.07044	5.1
61.02912	12.7
65.94661	3.1
67.05517	18.0
69.03427	37.1
69.07057	7.7
70.77773	3.3
71.01342	6.3
71.04980	13.1
73.02914	85.9
81.03403	7.4
81.07054	7.9
83.04964	4.1
83.08617	7.9
85.02901	61.1
87.61646	3.7
97.02886	94.4
97.57833	3.1
99.04421	3.7
99.08002	3.2
107.08610	5.8
109.02879	16.7
109.06595	3.3
109.10154	60.3
109.87185	3.0
115.03931	38.6
120.08061	6.2
121.10101	4.5
127.03912	21.7
127.11181	25.5
133.04951	13.0
133.10152	5.3
145.04991	20.0
145.12227	100.0
147.11716	3.8
151.11177	7.3
160.89561	3.0
163.03864	9.4
191.14275	10.2
208.41661	3.3
209.15309	4.7
211.13249	18.9
223.05806	4.6
223.13277	99.6
241.07028	5.9
253.14360	58.5
259.07935	3.7
271.15448	4.5
294.14188	4.2
421.53210	3.4
456.19232	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	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.87286	0.6
55.01867	1.4
55.05495	1.8
57.03433	39.6
57.07060	3.0
59.04992	1.4
60.44950	0.6
61.02639	0.8
61.02925	10.8
61.38173	0.6
67.05495	9.3
69.03426	29.3
69.07066	3.6
69.32943	2.8
71.01370	3.1
71.04987	5.0
73.02913	69.6
77.11774	0.6
81.03416	3.5
81.07045	2.6
83.08607	5.5
84.46567	0.8
85.02901	39.2
87.04457	2.7
88.62172	0.6
91.03914	1.2
95.74403	0.6
97.02886	49.9
99.04426	2.1
99.84116	0.7
103.07571	0.9
105.56014	0.6
107.08555	0.8
109.02872	2.8
109.10149	42.0
115.03925	42.1
127.03897	11.8
127.11196	8.7
133.04951	12.8
145.04947	13.5
145.12224	100.0
146.12552	1.9
151.11107	0.7
153.59062	0.7
163.06003	4.5
191.14322	1.1
193.04919	1.4
203.10596	0.7
211.13252	0.8
223.06029	3.4
241.07040	3.7
259.08121	2.2
295.10138	1.5
456.22879	1.4
457.24213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	20.6
69.07068	29.4
69.33527	80.2
82.54521	15.9
83.04948	17.3
85.02930	18.3
95.08643	22.6
96.50233	16.4
97.06527	62.9
99.27203	14.7
103.70964	17.4
105.07043	19.1
114.09817	15.3
116.62222	13.9
135.28923	15.2
163.03888	33.7
173.02368	16.9
191.14235	17.7
196.17126	18.3
215.07001	21.6
259.09726	100.0
329.17358	47.5
457.20438	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	456.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	18.1
81.07034	19.2
91.05499	12.6
95.04977	16.0
97.02883	13.3
105.07083	19.5
107.08587	15.0
109.10175	18.0
111.08073	12.1
119.08576	13.6
121.10115	15.0
143.08504	10.8
145.10086	12.1
149.09631	13.7
151.03941	27.1
169.04977	13.1
173.13232	31.4
174.10056	10.9
185.89224	13.4
197.13268	35.8
210.79660	12.8
215.14359	17.5
261.21085	10.6
300.82602	13.3
311.16370	12.9
323.66324	12.1
343.19009	50.0
361.20132	100.0
421.22479	16.6
456.22873	41.9
456.30643	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	456.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70108	25.6
63.46938	28.2
67.05502	54.4
69.07069	37.7
70.93285	47.8
78.02648	26.0
85.02874	26.2
97.06526	84.2
105.91579	26.1
121.10139	27.5
133.10146	36.8
158.54091	29.0
163.03784	41.0
165.40448	29.4
191.03453	32.0
219.17665	28.3
224.47153	26.8
259.09741	100.0
266.18198	26.2
305.53210	28.2
329.17355	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.8
57.03438	6.3
64.61086	4.6
67.05503	7.1
69.03405	5.1
69.07063	6.7
69.87258	14.8
79.05496	8.6
81.07033	7.3
83.04984	9.6
83.08604	4.5
85.06566	5.5
90.28551	4.6
91.05484	7.3
93.07038	14.0
95.04957	8.7
95.08618	11.4
97.02895	15.3
97.06529	9.6
98.22775	7.5
105.07013	14.1
105.39199	4.8
107.08600	32.1
109.06519	8.4
109.10168	13.1
111.04419	8.5
119.08578	16.7
121.10143	28.2
123.08075	7.3
123.11678	4.9
129.07065	4.7
131.08563	12.6
133.10124	22.2
135.08066	12.2
135.11687	13.7
139.03873	10.9
143.08600	7.8
145.10115	9.7
147.11707	6.2
149.09653	9.3
149.13235	14.2
151.03996	4.5
157.10103	7.5
157.96828	5.6
159.08076	5.1
161.13284	6.6
163.14812	15.5
167.07039	5.5
171.11734	6.1
173.09554	7.2
173.13277	28.6
175.14818	10.6
179.10674	5.2
185.13246	9.9
187.11183	11.1
189.09070	5.2
189.12772	5.8
191.14305	100.0
193.15901	19.4
213.12787	10.0
227.14226	5.3
240.13589	4.6
245.15332	8.0
273.14926	5.4
287.12698	7.6
287.16312	5.2
311.16281	5.6
329.17410	16.9
332.08228	4.5
347.18527	55.3
365.19586	35.0
379.21146	40.0
425.21497	9.4
456.30594	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.1
61.77272	10.1
67.05500	16.8
67.14285	11.2
68.78819	12.5
69.03422	19.2
69.46979	17.5
69.47382	37.9
73.07788	11.0
79.05504	31.7
81.07049	100.0
85.06566	16.9
93.07040	18.7
95.08595	14.7
96.13582	10.5
107.08599	15.5
109.06513	26.9
111.94043	11.4
119.08598	19.2
121.10162	32.2
127.07536	69.9
135.11703	21.8
139.90753	11.3
145.10207	13.1
159.11653	10.7
163.11180	28.7
185.13200	14.6
191.14255	13.3
215.14409	12.2
222.07227	12.7
271.10287	10.8
301.21622	20.9
343.22525	15.9
361.23581	68.7
379.24921	27.6
421.25891	94.5
439.26590	20.4
457.21909	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	456.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
67.05495	23.5
69.07034	14.7
73.89925	5.9
77.92416	5.8
79.05482	38.3
81.07056	100.0
83.04976	15.1
91.05484	31.5
93.07041	15.9
95.08615	22.6
96.08954	6.7
105.07020	59.0
107.08591	33.7
109.06448	6.8
109.10143	16.4
111.04427	9.3
119.08577	46.1
121.10156	20.5
125.09634	16.8
129.06981	14.4
131.08575	14.9
133.10132	25.0
135.11697	13.0
137.09660	8.9
140.58055	5.8
142.07832	15.1
143.08612	28.8
144.09251	7.4
145.10069	16.2
147.11661	68.9
149.13277	7.1
155.08569	9.8
157.10115	50.8
158.10947	7.2
159.11757	17.9
161.09610	9.4
161.13200	9.6
163.11212	7.7
167.08575	13.5
169.10173	17.1
171.11676	23.2
173.09605	10.4
173.13231	47.9
175.11169	80.6
175.14751	7.3
181.10178	9.2
183.11671	18.6
185.13225	72.1
187.11188	7.4
187.14888	8.9
191.14310	10.7
196.12140	6.9
197.13263	20.8
199.14786	16.0
200.33182	6.9
201.12791	34.2
203.14334	9.5
209.13239	19.0
211.14781	12.9
215.14363	6.6
223.14786	7.9
227.14359	9.7
235.13126	9.5
239.17781	6.8
255.21028	21.6
265.19534	58.7
270.22485	7.0
283.20514	44.0
335.18585	5.8
379.20920	8.9
438.34515	8.0
456.22925	28.7
456.30350	11.1
456.36108	7.6
456.65787	6.5
457.21210	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	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.07074	15.8
58.06590	1.8
66.45303	0.5
67.05495	1.9
69.07058	2.6
69.39538	2.8
70.06588	14.7
71.08624	8.9
72.08163	0.5
73.02911	1.7
79.05485	0.5
81.07045	2.9
82.54041	0.5
83.08608	2.7
85.10185	2.3
87.04491	0.7
88.07624	20.7
93.06985	0.8
95.04871	0.6
95.08595	3.7
97.10157	1.1
98.22744	0.8
102.08518	1.0
102.09169	13.6
106.08680	0.6
109.10148	1.8
121.10119	1.0
156.17506	0.8
169.02708	0.5
174.18515	0.8
197.08073	1.8
200.20078	55.7
201.20470	1.4
218.21136	5.1
227.20117	0.8
283.26291	53.7
284.26627	2.0
344.89407	0.5
456.44073	100.0
457.44489	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	456.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
55.05733	0.3
57.03428	0.5
57.07076	14.2
58.06577	1.2
60.04494	0.3
67.05495	2.2
68.05003	0.4
69.07064	1.9
69.21785	1.8
70.06592	12.3
71.08630	7.8
73.02900	1.3
81.07056	2.3
83.08610	1.8
83.45197	0.3
85.10180	3.1
87.04451	0.7
87.31257	0.3
88.07629	17.3
95.08608	3.3
97.10152	1.0
102.09177	10.5
106.08664	0.6
109.10141	1.2
112.13537	0.3
112.99271	0.3
113.00014	4.9
123.11619	0.4
135.11659	0.3
156.17451	0.8
157.44150	0.3
169.02615	7.5
174.18394	0.4
200.20090	45.0
201.20427	0.6
218.21153	3.9
227.20013	1.0
228.23257	0.7
255.23161	0.7
256.26300	0.8
274.64322	0.3
278.41705	0.3
283.26303	45.3
284.26694	1.7
313.05615	0.3
313.27335	4.1
328.79221	0.4
407.25482	0.8
456.44095	100.0
457.44409	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	457.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07845	2.6
53.16579	3.0
70.06599	4.5
85.02911	3.0
87.61578	3.2
95.01509	2.6
149.06062	4.3
187.94991	3.9
245.06386	4.2
248.77171	3.2
413.08521	10.3
457.07443	100.0
457.13226	8.8
458.07797	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	457.1115
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03954	5.3
53.54456	1.2
57.03431	9.6
59.04998	3.5
69.03420	14.1
69.67527	4.0
70.06582	5.8
71.04979	7.9
73.02911	3.6
81.03411	19.0
84.08142	3.3
85.02907	1.0
86.09717	1.6
87.04501	1.5
87.05566	1.0
95.06108	1.2
97.02937	1.0
98.98459	18.7
99.04438	11.2
110.07151	1.2
113.07134	4.5
114.07439	1.0
117.05482	10.7
145.07607	3.5
147.04385	1.4
147.09175	2.8
157.07635	2.7
159.09134	6.3
163.03923	3.7
170.07123	1.6
171.09120	1.2
172.08676	29.3
173.07138	4.6
175.08662	2.9
181.04979	6.0
182.05324	2.7
183.05478	2.2
184.08685	2.4
185.10753	1.8
186.10301	1.3
190.09785	1.6
197.09492	2.9
198.06625	8.1
198.10228	2.5
199.12285	2.0
200.08168	4.9
209.10875	1.3
210.10204	2.4
214.09767	2.9
215.13950	1.4
216.07669	18.5
218.09267	2.1
219.07597	3.1
224.11815	2.5
226.09749	1.3
243.08743	48.7
244.07170	2.4
252.11226	1.6
270.12393	1.1
285.09863	1.6
294.11630	1.9
295.11667	3.2
307.08167	1.8
316.12857	1.6
323.11392	1.7
334.09326	1.3
341.12415	8.4
359.13440	41.3
360.13870	2.2
369.08411	1.2
377.14551	5.3
385.69034	1.1
396.09399	8.8
397.07733	2.5
414.10559	11.2
421.08997	7.7
439.10104	100.0
440.10806	4.7
457.11121	31.7
457.16980	2.9
458.11316	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1317
Annotation	Neurodazine
Peak:m/z	Relative Intensity
51.07584	0.4
70.06586	2.6
71.43034	0.5
72.08151	0.8
84.08136	1.3
85.02896	1.1
85.33804	0.4
86.09689	0.8
91.05527	0.4
97.02880	0.5
97.79910	0.4
98.61685	0.5
110.07148	1.1
129.76855	0.4
153.65562	0.4
163.03929	1.8
167.03215	0.4
185.04205	0.7
191.06793	1.6
203.05263	0.8
209.07840	4.3
227.05272	1.7
245.06297	4.9
271.04202	2.2
289.05276	14.7
353.11707	0.4
371.12985	4.6
395.13058	1.2
413.14124	17.7
414.14420	0.7
421.60403	0.4
439.11462	0.6
457.13113	100.0
458.13394	5.4
462.88260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23594	1.7
55.05515	1.9
56.88868	1.6
56.96575	2.6
58.31822	2.0
61.47861	1.6
67.05523	1.9
69.03420	2.4
69.07078	3.5
70.06610	4.1
70.55307	1.8
70.75337	3.1
73.41512	1.6
79.05480	2.4
81.03393	2.3
85.02911	6.3
86.09715	7.8
91.05482	4.0
93.07043	2.0
95.08615	2.3
97.02885	4.1
97.68044	2.1
98.97580	2.9
105.07039	10.0
107.08625	6.9
109.02903	2.6
110.97549	1.9
116.98664	2.0
117.03355	2.4
117.07050	2.8
119.08575	26.6
120.08105	3.4
121.10159	2.2
131.08627	1.7
133.10101	9.7
144.10233	5.0
145.02852	2.7
156.06252	2.0
156.82669	1.8
158.99602	2.0
163.03923	9.6
164.04196	2.4
173.13336	2.3
175.14819	20.1
191.14342	2.9
203.05092	1.7
209.11591	3.8
239.28487	1.9
251.09380	1.9
277.17783	5.0
295.18936	2.1
330.59036	2.0
353.12582	3.8
365.65430	2.1
371.13141	2.2
371.17334	2.6
395.16913	5.4
413.15811	15.8
439.15628	18.3
457.15402	100.0
457.24014	65.5
457.30661	3.2
458.15967	5.9
458.24194	4.1
480.71365	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77618	2.6
56.85688	2.5
67.05511	4.2
69.03436	4.7
69.07053	4.5
70.06601	4.1
79.05496	2.5
85.02899	7.6
86.09711	7.8
89.03929	3.7
91.05492	6.2
93.07044	3.0
95.08616	3.5
97.02909	12.5
98.22675	4.3
98.97586	9.7
105.07043	10.7
107.08575	7.5
119.08571	32.9
120.08076	4.7
131.03932	2.7
133.10143	8.6
135.04407	4.4
144.10222	3.9
145.02803	3.8
145.10278	3.1
148.11237	4.4
157.89476	2.8
163.03891	32.9
164.04239	4.8
175.14845	18.2
209.11478	3.5
232.17003	10.4
237.02834	4.5
353.12701	6.2
371.13724	6.0
413.16861	13.3
439.15674	11.1
440.99591	3.4
457.15057	100.0
457.24005	50.8
457.31143	8.3
458.15045	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	457.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18697	0.7
56.63854	0.7
67.05493	2.4
69.03409	1.3
69.07073	1.2
70.61452	1.2
79.05478	0.9
86.09687	1.0
93.07022	1.8
95.08616	0.9
95.39270	0.7
99.04503	0.7
105.07022	0.7
109.10150	2.0
110.06001	1.2
123.08042	0.8
127.03916	0.7
147.11674	2.0
163.03961	1.8
184.38609	0.8
191.14334	7.6
209.11488	9.2
210.90999	0.7
227.10669	1.0
229.03154	1.1
244.72141	0.7
245.06560	0.8
271.04309	2.5
295.06210	1.1
295.09863	1.3
353.15976	0.9
371.16742	8.0
413.17734	36.4
414.18216	2.0
439.13251	0.8
457.16754	100.0
457.30984	2.3
458.17014	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15280	2.1
59.33574	2.2
65.38399	2.2
67.05495	4.8
69.03437	8.5
69.07054	3.2
73.02910	2.7
77.05418	2.0
79.05491	5.8
81.03407	5.6
81.07058	5.3
83.04952	4.1
85.02904	8.8
86.09703	6.5
91.05487	3.3
93.07053	4.7
95.08628	2.4
97.02893	2.6
98.22614	5.4
105.07043	9.5
107.04945	4.1
107.08600	19.5
107.66152	2.4
109.06535	6.7
109.10155	5.2
110.06058	4.3
115.05449	2.5
117.83488	2.3
119.08620	4.8
120.08118	26.6
121.06492	3.9
121.10159	10.5
122.07263	4.5
127.03919	4.5
131.08594	4.0
133.10120	100.0
135.08084	7.7
135.11760	2.5
136.61813	2.2
136.64226	2.1
137.09605	55.5
142.81273	2.3
149.13271	12.3
151.11183	6.3
163.03931	5.3
163.14940	2.7
166.08621	28.1
173.13274	5.0
191.14299	58.2
209.15375	17.6
275.73831	2.1
295.16586	5.4
428.05954	2.9
457.16644	5.8
467.92276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.72344	1.3
55.01852	3.4
55.05507	2.6
67.05502	2.6
69.03418	3.9
69.07059	13.7
72.85335	1.2
73.02906	1.9
79.05498	3.2
81.03400	2.9
83.04970	2.0
85.02892	3.7
87.00826	2.4
91.05466	8.5
93.07043	14.1
95.04939	2.9
95.08608	2.8
97.02878	2.0
99.04414	1.5
105.07018	4.2
105.57281	1.2
107.08611	9.6
107.09222	1.9
109.02860	1.7
109.10130	2.3
110.06032	3.4
111.44370	1.3
117.07028	1.9
119.08597	2.4
120.29229	1.4
121.06494	17.8
121.10110	10.1
122.90049	1.3
123.87759	1.4
125.02189	1.4
127.03873	2.8
131.08575	4.5
133.10132	7.3
135.08034	6.8
135.11697	3.2
145.10197	1.5
147.11668	32.7
149.09619	4.0
149.13237	8.2
158.10918	2.3
158.61530	1.3
159.02878	1.3
161.09592	6.6
163.03877	4.7
173.13281	8.6
191.14296	100.0
192.14656	5.3
199.11227	1.7
209.11473	2.2
209.15331	2.0
227.10652	3.7
413.17868	8.9
457.16962	25.9
457.23627	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.05512	10.3
59.05004	1.8
67.05502	23.9
69.03431	14.3
69.07070	15.8
70.93232	2.0
72.08147	13.2
79.05476	2.7
81.07056	22.3
83.04981	13.0
83.08630	5.5
85.02933	2.0
85.06565	2.7
86.09686	13.7
87.00844	2.8
91.05484	5.0
93.07031	9.2
95.04945	1.6
95.08597	32.6
97.02880	19.7
97.06525	3.5
105.07024	10.0
107.08574	22.6
109.06513	9.0
109.10147	94.0
110.10486	2.9
111.08093	4.0
119.08569	39.8
121.10126	13.8
123.08053	19.9
123.11665	8.1
124.75930	1.7
125.02341	5.8
133.10121	19.7
135.11684	100.0
136.11986	2.1
137.09613	16.9
139.11203	3.7
143.03391	3.0
145.02846	1.9
147.11681	1.8
149.13272	6.2
151.11153	9.8
151.14847	8.4
161.04506	2.2
163.03891	9.4
165.09120	2.0
165.16348	2.8
175.14815	38.1
176.15201	2.8
185.16472	2.2
191.14285	3.3
193.15866	86.3
194.16257	4.0
211.16914	35.2
213.12355	4.7
229.03416	1.7
239.16393	17.9
260.09958	2.6
353.00244	1.9
421.18344	2.0
423.34039	1.7
457.20529	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01863	10.1
55.05507	16.1
57.03429	6.5
57.07077	10.7
58.15059	1.8
59.04982	2.9
61.02941	4.3
67.05499	9.8
68.99792	6.2
69.03426	38.7
69.07063	16.4
69.10385	13.4
70.06595	2.3
71.04972	8.8
72.08144	2.6
73.02913	4.2
79.05488	17.0
81.03413	33.2
81.07053	46.6
81.07504	3.3
83.04981	20.6
83.08617	21.3
85.02901	48.8
85.06535	5.2
85.95791	1.6
86.09692	2.3
87.00819	24.6
91.05483	11.0
93.07044	13.4
94.95456	1.6
95.04964	100.0
95.08598	15.1
97.02889	29.9
97.06532	12.4
97.10085	2.4
99.04449	33.9
100.11269	1.8
103.03960	6.6
105.01878	7.9
105.07020	16.9
107.04945	3.6
107.08591	33.3
109.02876	26.2
109.06511	18.5
109.10148	24.0
111.04443	7.2
111.08074	15.7
113.09619	4.4
115.03953	2.6
117.01872	2.9
117.07060	3.9
119.08555	12.2
121.06502	9.2
121.10129	19.3
123.04386	1.7
123.08057	8.4
123.11682	9.8
125.05998	7.6
125.09615	13.4
127.03896	34.4
127.04733	2.1
129.01869	5.2
129.05412	2.7
131.08575	7.8
133.06496	3.1
133.10139	17.7
135.04410	3.5
135.08078	14.9
135.11717	6.1
137.05949	8.3
137.09637	8.3
139.07544	4.2
139.11134	11.3
143.08521	1.6
144.10175	18.0
145.04962	9.5
145.10587	10.8
145.11566	1.8
146.10698	5.1
147.02861	4.0
147.04436	2.4
147.08084	4.4
147.11668	6.5
149.06001	5.9
149.09628	5.4
149.13268	22.2
151.07536	8.2
151.11177	6.2
153.09103	35.2
153.10274	3.0
157.10106	1.9
157.78679	1.7
159.02856	8.8
159.11694	4.3
161.09662	2.6
161.13258	3.1
163.03888	16.0
163.07535	4.2
163.11153	4.1
163.14815	5.9
165.09140	2.2
165.12749	2.3
167.07021	3.7
167.14281	22.7
169.12227	2.2
171.10138	2.9
173.09601	2.5
173.13251	14.9
175.07567	2.3
175.14862	3.7
177.09065	2.3
181.12250	11.6
189.03931	6.7
189.12794	3.3
191.07130	2.1
191.10651	2.2
191.14313	36.4
195.10164	4.4
207.13837	3.9
209.08160	1.9
209.13348	3.8
209.15344	71.3
213.04001	2.2
231.05048	6.1
233.15366	4.8
251.16209	2.2
263.16647	2.7
275.16498	2.8
317.17514	3.1
335.18384	2.9
353.19540	2.4
421.18509	4.3
439.19583	7.4
457.20892	12.2
457.33752	2.5
462.33591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01867	7.7
57.03416	5.4
59.71073	2.1
61.02913	3.0
66.40288	2.0
68.99799	2.4
69.03423	32.0
69.07069	11.5
71.03029	2.4
71.04994	3.3
73.02910	9.3
81.03413	42.1
81.07050	3.6
85.02900	65.1
87.00816	27.2
91.05481	5.0
93.07061	5.4
95.04975	9.7
95.08615	4.8
97.02884	19.5
99.04456	17.9
105.01882	20.8
105.07039	5.5
107.08591	5.3
109.02859	42.7
109.06471	3.3
117.01926	3.5
121.06474	3.8
121.10125	2.5
122.07246	6.3
123.08060	22.4
127.03906	69.8
129.01820	4.7
131.23688	3.1
133.10101	6.4
135.08063	35.6
145.04959	25.6
147.02852	5.9
147.11633	4.1
148.37640	2.7
149.13284	2.5
159.02863	28.5
165.09155	5.7
165.12721	16.3
176.11957	3.4
187.36723	2.6
191.14294	100.0
193.15814	5.6
207.13744	5.2
209.15427	11.1
213.04004	3.8
231.05035	17.0
377.15930	2.8
413.18008	4.0
457.20654	26.1
458.20981	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	457.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27589	0.9
57.03430	1.2
57.06201	1.0
60.08161	64.7
64.52469	1.0
65.98708	0.9
70.09023	3.0
73.42054	0.9
74.31994	0.9
82.01834	1.1
84.03891	1.0
93.97051	1.0
117.06944	1.8
118.06532	18.0
126.01103	1.3
142.06464	1.5
143.07274	1.7
144.08089	11.8
146.05995	64.2
147.06363	1.3
160.07584	1.6
170.06032	4.8
174.63620	1.2
188.07059	100.0
189.07352	2.4
211.07323	2.1
247.14410	53.3
349.12445	1.0
459.57690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2201
Annotation	berkeleydione
Peak:m/z	Relative Intensity
68.13211	1.3
69.03428	1.4
69.07076	1.4
81.07025	1.3
94.71880	1.2
95.08607	1.8
97.02914	1.8
97.06510	1.4
107.08590	2.2
109.10155	3.7
119.08632	1.4
121.10141	1.4
133.10136	2.4
135.11710	3.5
163.03908	11.5
173.76799	1.1
175.14804	2.3
183.39034	1.2
191.14334	3.8
260.10043	1.8
284.01279	1.4
295.15668	2.5
337.17093	2.5
457.21936	100.0
458.22296	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	457.2321
Annotation	Vindoline
Peak:m/z	Relative Intensity
51.52757	1.0
52.45078	1.1
54.48409	0.9
55.05512	5.6
57.03434	1.8
57.07072	1.6
58.96159	1.1
67.05495	13.4
69.07074	5.8
71.08625	2.9
79.05493	4.2
81.07043	13.4
82.51021	1.0
83.08625	2.2
85.10162	2.0
89.06025	4.7
91.05489	3.3
93.07044	6.1
95.08580	9.3
97.10163	1.1
105.07037	1.8
107.08575	2.1
109.10172	4.1
119.08556	2.0
120.96638	14.1
121.06512	3.5
121.10110	2.6
123.11745	1.4
133.08589	2.1
165.09120	2.7
176.99211	2.1
195.00275	10.7
213.63759	1.0
300.42688	1.1
315.18024	4.1
337.27350	16.4
359.25690	3.6
377.26590	3.4
439.22119	9.5
457.23230	100.0
458.23651	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	458.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01865	1.6
57.03435	14.5
59.05016	1.2
61.02927	7.7
61.68851	1.0
69.03431	16.4
70.81961	1.7
71.04999	5.6
71.08634	1.7
72.08167	1.5
73.02904	6.8
75.04481	2.2
81.03426	5.8
81.07066	1.8
85.02903	100.0
86.03206	1.7
87.04469	2.8
88.23135	0.9
89.06007	1.5
91.03962	4.2
95.35535	1.2
97.02891	27.3
99.04453	4.7
99.08096	12.1
103.07595	1.1
109.02850	7.9
115.03928	4.1
117.09128	90.2
127.03906	23.2
129.09109	3.3
145.04961	45.2
163.03928	2.2
163.06026	16.7
197.88701	1.2
216.64104	1.4
222.29372	1.2
458.13379	5.0
458.19870	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	458.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75077	0.8
55.01867	0.8
55.05503	5.1
57.07062	0.8
65.44455	0.8
67.05512	2.0
69.03419	2.6
69.07063	10.6
70.06603	1.2
71.03156	0.8
79.05484	2.9
81.03417	3.1
81.07055	4.5
81.72990	0.9
83.03880	0.8
83.08611	2.8
83.67311	0.8
85.02898	6.3
87.00822	2.8
91.05479	11.6
92.86886	0.8
93.07033	3.4
95.08610	8.1
97.02878	3.3
103.05540	1.1
105.01854	4.1
105.07024	20.1
105.99692	1.0
107.08591	14.2
109.02900	1.5
109.10168	1.3
114.85099	0.9
117.07005	5.1
119.08569	100.0
121.10139	3.8
127.03909	4.3
128.33885	0.9
133.10121	22.0
135.11662	1.8
145.04973	2.1
145.10101	1.0
147.11681	2.7
159.02895	1.2
160.12410	1.1
169.54364	1.0
172.94333	0.8
173.13300	0.9
175.14807	65.3
176.15154	1.8
185.59756	0.9
190.09744	1.3
193.15952	1.4
226.11574	0.8
232.16925	1.6
249.06050	1.4
265.32135	0.9
426.71637	0.9
440.25598	2.5
450.80148	0.9
458.16068	2.0
458.24838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46510	1.9
55.02980	7.8
55.05510	5.7
60.05640	6.9
65.03929	6.5
67.05497	4.5
69.04539	2.6
69.07071	3.4
70.06599	4.9
70.57882	2.8
71.04978	3.0
72.05645	4.1
72.08150	92.1
79.05494	2.3
81.07087	2.3
85.02900	5.6
86.07168	9.1
86.09698	2.6
91.05479	4.4
95.04971	2.5
97.06575	2.5
97.07642	46.2
100.08729	17.1
104.10724	5.6
109.02887	2.3
111.09194	4.5
114.10284	83.0
114.11085	4.2
115.10601	2.3
130.09755	8.8
132.11308	2.8
133.10124	1.9
134.03647	3.6
135.04413	3.4
137.02315	2.4
147.04425	2.3
151.03899	2.1
152.04704	4.4
153.05495	5.2
164.04675	2.2
165.05511	6.1
165.09093	2.5
166.06255	12.9
171.06549	5.2
179.03412	7.8
181.04945	86.4
182.05186	2.4
184.07365	4.0
196.03717	2.5
198.05244	7.4
209.08159	5.3
223.05992	38.7
237.07568	32.7
249.11295	3.8
264.13403	2.4
265.11844	4.6
265.14301	5.3
277.10614	3.3
280.12961	3.7
282.14484	2.3
292.13007	8.1
293.11276	8.4
293.13858	6.5
296.12338	4.4
300.47458	2.5
310.13907	17.9
311.14685	29.7
312.15372	3.5
336.15527	29.6
354.16528	27.5
354.20593	2.2
368.18210	24.8
390.20508	2.9
408.21167	18.6
426.22336	100.0
427.22498	8.7
440.23981	14.5
450.81088	2.3
458.25000	67.7
459.25351	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	458.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05492	1.1
57.03415	1.2
65.03943	0.6
67.05501	1.4
68.05009	2.4
69.03411	1.4
69.07053	0.8
69.20350	2.0
69.20753	1.8
70.06573	2.6
72.08145	1.2
72.44163	0.7
79.05469	1.9
80.05012	1.4
81.03400	1.1
81.04532	0.9
81.07060	5.0
82.05302	1.0
82.07382	1.6
83.06105	4.5
83.47679	0.6
85.02885	1.5
86.09698	2.0
91.05476	1.0
93.07017	1.4
94.05299	3.9
94.06570	0.8
95.06085	51.1
95.08619	1.1
96.04488	1.0
97.02850	1.4
98.23466	1.2
105.07021	2.7
107.08598	1.3
108.04454	1.4
109.02842	1.2
109.06505	5.5
109.10159	1.8
111.08096	1.1
112.08706	2.2
119.04929	0.7
119.08562	2.7
121.06493	1.1
121.10162	0.9
123.11679	1.4
124.08681	1.2
127.03845	0.8
131.08525	1.1
133.10132	1.9
134.10471	0.9
135.08041	1.5
136.07544	1.5
145.10094	1.6
147.04410	0.7
147.08005	1.6
147.11662	1.7
149.09636	1.3
157.10078	1.2
159.08032	1.0
161.09634	1.0
161.13255	1.2
162.10269	3.2
163.03873	1.3
163.11032	0.8
169.10081	0.6
171.11661	1.0
173.09625	0.9
173.13385	0.9
174.10277	0.8
175.11099	1.1
176.08228	0.9
177.08968	5.2
178.09807	4.3
179.10565	0.7
181.05023	0.7
185.13211	1.0
189.12743	2.0
190.09743	100.0
191.10211	2.7
191.14290	1.3
192.14609	1.4
199.11234	0.8
202.09929	0.6
203.14249	1.1
204.11301	2.7
210.15590	0.9
227.14246	1.5
232.10764	5.3
233.15244	0.7
236.24899	0.6
245.15376	1.9
250.68616	0.7
255.17522	0.7
261.09998	0.8
263.16461	0.8
274.15549	0.6
288.72769	0.7
290.18488	0.7
291.57962	0.8
298.15381	1.2
316.16647	3.2
366.21487	0.7
404.23325	1.7
412.26016	0.9
422.24319	14.8
423.24841	1.2
440.25424	76.3
441.25803	5.2
458.26447	15.5
459.18787	1.3
459.26532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57607	17.3
66.34071	15.0
67.05479	36.4
71.42946	16.8
79.05474	21.0
81.07018	27.0
83.04980	33.0
85.07816	16.0
91.05471	33.0
93.07036	32.2
95.04958	21.8
107.08583	24.3
111.04438	80.0
119.04920	25.4
119.08610	37.4
121.10114	32.5
123.08051	19.1
131.08565	21.8
135.08109	24.5
135.11763	20.6
147.04428	100.0
159.11693	18.9
165.32497	20.3
191.14262	39.6
203.14191	19.6
204.06505	18.1
221.15359	29.0
226.34499	17.9
295.17172	23.1
313.18008	24.8
331.19083	80.6
345.20737	29.9
348.66953	17.6
422.90088	20.4
458.20618	99.1
458.25204	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	26.7
57.03415	20.1
57.22955	14.6
58.39502	16.0
69.67548	32.6
69.67916	64.5
81.03407	19.5
81.07060	21.7
83.04957	26.1
83.32373	16.8
93.07055	22.1
95.04942	22.7
95.08589	23.0
98.06027	37.9
107.08569	19.8
119.08596	43.8
121.06484	22.5
121.10093	23.6
133.10133	28.9
135.11658	22.4
156.09335	20.8
157.10130	17.7
159.11650	26.4
171.11739	27.0
173.09694	19.8
173.13200	19.8
180.60164	19.4
191.14301	28.0
195.11670	21.6
196.12514	26.5
197.13153	27.6
207.11560	22.7
211.14758	60.2
223.14793	20.0
234.13992	24.7
249.16367	25.8
277.15799	100.0
284.49030	17.8
295.17075	25.6
313.17926	27.6
331.19125	99.1
380.22629	18.5
391.20966	38.4
459.27283	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	458.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74050	6.8
55.01866	18.9
55.05499	13.6
55.90996	6.1
57.03440	9.6
57.07068	10.7
59.44351	7.1
60.81741	6.1
61.53812	6.5
67.05505	57.5
69.03435	44.7
69.07062	9.8
71.04990	17.5
73.02892	9.4
79.05488	36.4
81.03422	39.7
81.07061	59.0
83.08617	9.6
85.02869	12.8
86.70650	6.6
87.04509	7.0
91.05473	20.3
92.19584	6.8
93.07043	42.2
95.04946	6.3
95.08588	40.6
97.02902	47.6
99.04457	57.2
105.04517	7.9
105.07011	13.7
107.08603	20.8
109.02884	33.8
109.10145	27.2
119.08605	12.1
121.10155	18.8
123.11703	14.2
127.03912	100.0
131.08533	9.1
133.10115	9.5
135.11722	10.3
145.04948	25.1
145.10139	7.9
146.98177	24.3
147.11656	8.1
155.01443	6.2
159.11739	7.8
173.13377	7.3
192.11641	6.7
204.32239	6.6
261.22174	16.5
423.27103	16.2
459.24911	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84183	2.4
53.03938	4.7
55.01869	5.7
55.05510	5.4
57.03426	8.7
61.02929	14.7
67.05501	33.4
69.03432	21.9
69.07071	4.7
71.04977	4.5
73.02911	5.0
79.05496	7.3
81.03411	13.7
81.07052	32.7
83.08628	2.7
85.02905	100.0
87.04471	2.9
91.03960	6.4
91.05486	5.3
93.07040	9.1
95.04980	3.1
95.08607	23.3
97.02894	36.6
97.10186	3.0
99.04454	6.3
105.07029	4.3
107.08578	6.5
109.02853	11.4
109.10159	12.5
117.07016	2.4
119.08664	2.2
121.10159	5.5
123.11701	8.3
127.03927	17.9
129.05669	2.1
131.08597	4.4
133.10121	3.6
135.11688	2.7
137.13354	3.1
144.15620	2.3
145.04958	27.3
154.84935	2.2
159.11749	3.0
163.05984	2.6
173.13245	3.3
180.08690	22.4
229.65877	2.3
279.23196	5.2
450.35336	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98567	0.9
53.97375	1.1
56.96561	37.5
57.56847	1.2
69.03417	3.0
70.06583	14.4
71.42933	0.9
72.08167	5.3
80.51538	1.0
81.03423	1.4
82.51957	1.0
84.04494	1.6
84.08144	1.6
84.96030	15.1
85.02882	6.0
86.09695	5.3
97.02890	2.9
98.97577	100.0
99.04519	0.9
101.72414	0.9
102.97080	1.3
110.07193	2.7
110.97559	27.8
110.98302	1.9
112.99126	7.1
113.07106	1.1
116.98611	55.6
117.09105	2.3
124.99112	2.2
126.97009	1.6
127.03926	1.8
128.97629	1.9
128.98601	35.1
129.10182	1.7
131.00177	6.7
134.99652	18.1
140.00203	1.0
140.98590	4.0
142.12323	1.2
143.00146	13.1
144.98122	3.3
145.01610	1.4
146.99643	21.2
149.01256	2.9
152.00261	1.1
152.07059	1.2
158.99637	14.0
161.01210	21.0
162.88789	1.0
162.99139	3.0
165.00713	2.2
167.00095	1.1
167.02328	1.2
170.99629	9.5
173.01254	1.9
174.99118	1.5
177.00693	16.3
179.00227	2.6
179.02281	5.9
181.05051	2.3
181.98892	1.5
182.99669	3.2
184.00400	1.2
189.00699	10.4
194.99715	2.6
195.01610	1.3
196.00497	1.6
197.01242	3.7
201.00661	8.8
207.01727	2.7
211.99947	1.4
213.00731	4.9
214.01549	5.0
215.02312	3.5
217.11722	1.2
219.01749	54.4
229.03918	2.6
237.02798	80.8
238.03215	1.5
255.01582	2.0
255.03893	5.0
258.00443	8.0
261.02780	12.9
272.99789	1.6
273.02795	34.3
273.05563	2.2
276.01422	6.2
279.03851	20.8
291.03836	46.2
297.02719	1.9
302.05438	1.4
315.03790	10.9
316.12027	1.1
327.03781	2.0
329.05429	1.6
333.05350	1.5
336.01535	3.4
339.03818	7.0
341.05478	4.9
351.03903	7.9
357.04776	5.3
359.06390	3.3
369.04987	3.1
381.04974	4.3
387.06625	1.3
399.05978	31.7
417.07004	59.6
418.07153	2.5
440.08765	1.7
459.08041	2.4
459.13702	5.4
459.19156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05495	1.1
58.99015	0.5
60.32322	0.6
60.64875	0.6
65.03934	1.1
67.05503	2.2
69.03409	1.3
69.07059	1.7
69.13089	3.8
70.79834	0.6
71.04642	0.6
71.04969	3.4
79.05484	1.5
81.03410	1.0
81.07053	2.6
83.04958	0.9
83.08602	0.8
85.02898	1.5
86.09703	0.8
89.03882	1.1
91.05471	7.9
93.07034	2.5
95.04949	1.6
95.08615	2.8
97.02868	0.8
97.06523	0.8
98.22626	1.1
99.08109	0.6
102.04717	0.7
103.05454	0.6
105.07011	2.4
107.04936	1.3
107.08595	2.6
109.06494	2.1
109.10139	5.1
111.08095	0.7
115.05431	2.3
115.57565	0.6
117.03334	0.7
117.07027	1.3
119.04934	5.6
119.08578	2.1
119.38739	0.7
121.06425	1.1
121.10130	2.1
122.03616	0.9
123.04428	1.3
123.08054	0.7
125.24499	0.6
127.03949	0.5
130.04134	2.0
131.08537	0.7
133.10118	1.7
134.03610	1.8
135.04411	1.9
135.11711	4.7
137.05975	11.1
137.09624	1.4
141.03329	1.6
143.04886	1.7
145.06468	3.3
147.04420	3.6
149.05962	3.7
150.06757	4.9
151.03925	2.1
151.11140	1.0
157.03938	0.7
158.03609	4.1
159.04437	0.9
160.05206	0.7
163.03944	0.9
165.06973	3.7
166.07791	2.4
167.08566	0.8
173.05966	6.8
174.06717	0.7
175.03876	3.8
175.05196	0.7
175.07645	0.7
175.14767	3.2
176.06157	3.9
177.06952	8.8
178.07726	1.5
181.06523	0.9
186.03088	14.3
187.07520	1.1
188.04582	0.6
189.07001	1.4
190.07726	0.9
191.07027	0.8
191.08594	1.5
193.06485	1.8
193.15858	2.5
194.07259	12.6
195.07916	1.0
195.17487	1.0
197.05914	0.8
201.05431	26.9
202.05928	0.9
202.07698	1.1
203.06982	1.1
204.05750	3.5
205.06458	28.4
206.07140	2.9
207.06393	1.1
208.05183	0.8
209.09618	1.9
211.03896	0.6
211.07442	1.7
211.16905	1.8
217.06598	1.1
218.07234	1.1
219.08038	3.4
221.05972	9.6
221.09479	1.3
222.06738	21.1
223.07449	3.4
224.04692	1.1
226.06415	0.7
227.07048	2.8
232.05176	1.2
233.05951	25.9
234.06699	8.3
235.07497	1.7
236.04716	0.9
236.08327	1.9
237.09070	19.6
239.06998	4.6
247.07480	6.2
248.08170	1.9
249.05470	11.0
249.08121	0.8
249.09097	0.9
250.06223	25.5
251.06938	5.9
253.08633	1.6
254.05717	1.9
254.09230	0.8
261.05490	5.0
263.07010	1.5
264.07782	10.4
265.08557	37.4
266.09171	4.5
267.06506	5.0
267.09082	0.8
275.06921	1.8
277.04987	5.5
277.08118	1.0
278.05710	10.1
279.06519	2.1
279.10129	4.5
279.23102	0.7
281.08151	1.2
282.08743	4.9
283.09558	1.0
292.07254	28.6
293.08041	47.2
294.08502	3.1
295.05792	3.4
297.07828	1.3
297.11121	8.1
307.09613	65.0
308.09921	3.5
309.07425	0.9
310.08340	3.2
325.10669	100.0
326.11057	5.4
330.19241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85735	0.7
55.01881	0.7
56.96562	0.8
58.25121	0.6
62.64639	0.7
64.87451	0.7
70.06587	1.9
70.46054	1.3
72.08130	0.9
72.90697	0.7
77.00898	0.8
79.05468	1.1
81.03407	0.8
81.07041	0.8
82.99881	1.2
83.04963	2.3
84.08143	2.2
86.09671	0.9
91.05492	1.9
95.08624	1.0
97.02891	2.6
97.77261	0.6
98.97578	1.6
101.00861	10.9
101.01455	0.9
105.07007	1.7
107.08598	1.0
109.06538	1.6
111.04426	0.7
116.98600	1.1
117.03425	1.1
119.01916	23.9
121.06497	1.3
123.08000	0.9
127.03912	9.1
129.10222	1.0
131.01904	2.8
133.06483	1.5
135.08026	3.5
137.02975	3.3
137.05971	2.3
143.01886	41.0
144.01996	1.5
145.02840	3.0
147.04356	1.1
149.05977	1.1
151.07529	2.9
152.98650	0.7
153.03957	0.8
155.01920	2.1
161.02953	100.0
162.03087	5.0
166.08414	2.8
167.07097	0.7
171.04997	1.6
173.02928	4.1
177.04089	1.0
177.05499	4.6
179.04005	2.9
179.07063	0.9
181.04962	1.0
183.05016	1.0
184.04555	1.4
191.04057	1.4
195.04968	1.1
197.08083	6.5
201.00919	0.8
203.03999	44.9
204.04182	2.6
207.04980	1.3
209.06590	1.8
211.08197	1.6
219.01694	1.1
219.04974	4.7
221.05000	5.8
221.06584	0.6
222.03795	0.7
223.08134	1.5
225.06122	1.0
227.07668	0.9
235.08116	2.5
237.02695	1.0
237.06075	3.7
244.04324	5.3
249.06076	2.4
253.09241	1.2
255.07097	8.1
263.06091	23.2
264.06503	1.3
266.67267	0.7
267.07166	3.2
273.08173	2.6
279.07089	9.7
291.07297	0.8
297.08160	29.5
298.08469	1.8
307.06741	0.8
309.08261	1.6
315.09338	4.2
321.07959	1.0
327.09406	1.2
339.09229	14.7
339.13034	1.1
340.09650	0.7
348.06927	2.4
350.81802	0.7
351.09421	0.6
357.10254	9.7
363.09445	1.3
369.10364	1.0
375.11276	1.5
381.10236	4.4
389.50058	0.9
399.11307	7.6
417.07318	1.5
417.12421	3.3
459.13507	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	459.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94116	2.3
55.05505	18.2
57.07069	3.5
67.05495	3.3
69.07075	2.3
70.64438	4.3
71.08643	6.7
81.07059	9.2
83.04972	100.0
83.08642	2.7
85.10182	2.6
89.06025	6.3
91.05472	6.4
93.07034	7.0
95.08616	8.0
103.05489	2.8
105.07025	6.6
107.08617	8.9
107.92570	2.1
109.10173	4.1
118.04189	2.5
119.08575	5.0
121.06509	8.0
121.10120	3.9
123.08083	3.8
123.11715	3.0
131.08501	2.1
133.08609	6.6
135.11702	3.1
146.90239	2.7
147.04422	5.7
151.07527	38.2
155.08571	2.7
159.08026	5.1
163.11346	2.3
165.09108	5.8
173.09619	5.6
191.10683	10.3
192.04207	5.8
201.09073	15.4
205.12123	2.5
229.08589	3.8
269.19327	3.3
282.80530	2.6
308.66052	2.7
309.22516	11.4
310.43289	2.4
315.17987	5.8
316.18533	2.5
378.68063	3.3
459.29285	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91207	0.9
52.62144	0.9
53.03931	1.4
53.60987	0.9
55.05513	18.1
57.03440	1.8
57.06445	0.8
57.07068	3.1
58.91320	0.9
60.99687	0.9
69.07069	3.7
71.08611	3.3
76.12067	0.9
79.05488	1.0
81.07062	2.4
83.04977	100.0
83.08624	2.0
84.05302	1.5
85.10190	1.9
86.24124	0.8
89.06032	7.2
91.05489	2.3
93.07035	3.5
95.04938	1.0
95.08613	2.1
105.07026	1.8
109.10171	1.1
118.04180	1.6
119.08607	0.9
121.06492	5.1
121.10155	1.0
133.08614	3.4
134.98204	7.3
142.07741	1.5
145.06427	1.1
145.10107	2.3
147.04387	4.4
147.08049	2.9
151.07544	3.1
155.08514	1.0
158.07281	4.1
159.08022	6.8
165.09117	3.8
173.09612	4.1
177.11252	1.1
186.93083	0.8
191.10674	1.7
192.04167	7.7
201.09085	14.3
209.11787	1.1
213.09222	1.3
214.37964	0.9
229.08527	1.7
230.09404	3.7
233.44633	1.0
303.34201	1.0
315.17969	3.4
316.18436	1.5
316.71298	1.0
319.71655	1.0
325.27292	2.9
459.24768	6.6
459.30411	1.4
468.16135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.5
60.54634	0.6
67.05415	1.6
70.67355	1.2
79.05415	1.3
79.58501	0.5
81.03358	0.7
81.06974	1.4
87.12064	0.5
91.05376	1.1
93.06979	1.1
95.08562	0.8
105.06900	1.3
109.10032	0.8
113.58245	0.6
117.06927	1.1
119.08445	0.8
129.06944	0.6
131.08513	1.0
133.10010	1.2
145.10037	0.7
171.11578	0.7
187.82556	0.5
197.09752	0.6
210.94200	0.6
213.12643	0.6
237.61501	0.6
249.14694	0.8
255.13628	0.8
343.15063	1.8
367.22662	0.7
371.18295	4.3
381.16748	2.0
399.17731	100.0
400.18076	5.5
418.22479	0.9
459.19873	29.8
459.26614	1.7
460.20282	1.1
471.57941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01873	1.9
55.05497	11.9
57.07064	4.5
58.78352	1.9
59.04987	3.7
61.02930	2.5
67.05498	23.0
69.03430	15.3
69.07071	18.2
71.04992	5.7
71.08617	2.0
73.02930	2.1
79.05491	4.9
81.03406	6.5
81.07053	27.9
83.04967	11.3
83.08612	7.6
84.04504	6.7
84.08160	1.9
85.02898	19.2
85.06535	4.5
86.09687	2.0
87.00825	6.9
91.05460	6.4
93.07044	12.6
95.04948	4.1
95.08598	35.4
97.02883	8.1
97.06525	3.6
97.10172	2.4
98.23506	4.6
99.08073	4.1
105.01818	5.9
105.07027	9.8
107.08597	25.7
109.02856	6.2
109.06522	8.7
109.10146	97.9
109.10896	4.7
110.10523	2.0
111.08067	4.0
114.28517	2.1
119.08571	41.3
121.10134	15.1
123.08083	11.5
123.11697	6.6
127.03917	8.4
130.04985	5.8
133.10120	24.4
135.11684	100.0
137.09604	16.4
139.11168	2.8
145.04893	2.9
147.11699	2.1
149.13222	6.1
151.11163	8.1
151.14833	11.1
159.06880	1.8
161.13229	4.7
163.03886	3.2
165.16399	4.0
175.14806	41.8
177.09102	3.8
179.14224	4.4
193.15863	69.3
195.17390	4.8
206.36143	2.1
211.16914	62.7
228.83858	2.6
231.05266	2.5
262.18158	2.8
265.08603	2.8
269.33450	2.2
280.18787	2.4
325.10626	4.8
330.19031	5.8
376.85953	2.1
415.19348	5.2
442.20963	3.6
459.17352	20.5
459.23306	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72487	2.3
55.05507	10.5
60.00982	2.0
63.14585	2.0
65.31958	2.3
67.05501	17.2
69.03425	12.2
69.07071	14.4
71.04976	4.1
71.44093	2.9
79.05487	5.7
81.03415	5.9
81.07058	15.4
83.04990	7.2
83.08617	6.6
84.74393	2.7
85.02885	10.5
85.06548	3.5
87.00827	4.2
91.05490	3.7
93.07050	7.1
95.08602	30.0
97.39600	2.0
99.04428	2.4
99.08067	2.2
105.01872	3.3
105.07029	10.1
107.08598	20.1
109.02904	2.2
109.06516	7.6
109.10151	89.7
111.08094	3.7
113.09644	2.4
119.08575	48.7
121.10133	11.0
121.46130	2.2
123.08087	9.4
123.11732	8.1
127.03959	6.1
133.10124	15.3
135.10632	4.9
135.11688	100.0
137.09595	12.9
139.11195	4.7
147.11684	7.6
148.12067	7.0
149.13266	7.6
151.11168	7.0
151.14827	9.5
163.03926	5.9
175.14818	39.4
193.15881	65.1
211.16933	65.0
227.10765	3.0
415.19290	2.3
459.18631	12.7
459.29099	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01873	3.1
55.05507	6.5
57.03429	3.5
57.07055	1.7
59.04999	2.2
61.02913	2.4
67.05496	4.9
68.99771	1.9
69.03430	13.4
69.07060	11.9
71.04989	7.5
73.02914	1.5
79.05505	4.8
81.03412	7.1
81.07057	12.9
83.08614	5.8
85.02908	25.0
85.06555	1.5
85.58718	1.0
87.00830	13.6
91.05450	3.7
93.07043	13.3
95.04975	4.0
95.08601	14.8
97.02909	8.6
97.06527	12.1
99.04459	3.1
99.08091	2.9
105.01865	11.0
105.07020	9.4
107.08589	14.7
108.42556	1.1
109.02879	6.8
109.06512	8.8
109.10141	7.6
111.08102	1.3
111.11750	1.6
115.07578	4.4
119.08582	20.4
121.10143	9.1
123.08090	8.3
123.11706	18.7
125.09628	1.2
127.03906	13.4
127.07603	1.2
133.10121	34.0
134.10500	1.6
135.11687	27.2
137.09645	5.3
138.03313	1.2
145.04967	4.4
147.11688	3.3
149.13245	18.1
153.12724	3.2
155.10605	1.7
159.02838	2.2
165.12787	2.5
175.14825	51.7
175.56558	1.2
177.16479	1.3
189.04042	1.3
193.15878	48.3
194.16272	1.5
209.15404	1.5
209.98276	1.4
211.16925	100.0
212.17276	3.1
231.05035	2.3
253.17946	1.5
263.59619	1.1
270.51309	1.2
283.19760	1.4
289.44510	1.1
309.53351	1.2
311.13275	1.1
394.97498	1.2
404.32291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01864	5.3
55.05504	9.5
57.03440	4.7
64.89771	3.6
65.03984	3.3
65.49928	3.4
69.03427	16.7
69.07062	19.3
71.05001	9.2
74.38069	4.0
81.03405	9.3
81.07045	18.0
83.08604	9.8
85.02895	31.0
87.00830	15.0
91.05461	4.6
93.07040	15.9
95.04951	6.9
95.08595	20.3
97.02886	13.1
97.06529	19.1
105.01868	14.5
105.06973	8.1
107.08605	15.3
109.02923	9.7
109.06511	17.0
109.10155	10.9
116.67816	3.5
119.08577	24.8
121.10146	8.9
123.08070	11.9
123.11662	8.9
125.09610	4.0
127.03923	20.4
128.06276	4.1
131.04927	6.1
133.10115	53.3
135.11690	27.6
137.09634	9.9
137.82063	3.4
145.04907	8.8
147.11584	5.0
149.13235	23.2
153.12619	4.0
175.14818	62.6
193.15880	100.0
193.17560	7.9
194.16249	5.5
211.16920	68.1
215.27002	3.3
253.17865	4.7
284.69659	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	459.2352
Annotation	1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN
Peak:m/z	Relative Intensity
50.41040	0.5
74.93880	0.5
81.07063	1.9
113.34724	0.5
121.10192	0.7
123.11620	0.6
145.10149	0.8
148.58028	0.5
149.09628	0.6
151.11224	0.5
175.07605	0.5
198.80377	0.5
399.21344	9.9
400.21750	1.3
459.23495	100.0
460.23776	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	459.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.6
55.01875	13.5
55.05510	72.7
57.03442	5.9
65.03947	3.7
67.05505	59.2
69.03434	5.4
69.07073	16.1
69.80731	2.5
69.81081	7.5
79.05493	65.0
79.52492	1.9
81.03427	4.0
81.07054	44.8
81.07500	3.8
83.04979	8.3
83.08613	31.3
85.06547	3.1
91.05476	59.1
93.07040	25.3
95.04984	8.9
95.08607	17.0
97.06561	5.0
97.10164	58.4
98.23406	2.9
103.05463	29.4
105.03411	4.8
105.04556	4.0
105.07024	45.5
107.04958	6.9
107.08592	30.2
109.06541	4.7
109.10173	14.1
111.08090	4.0
115.05453	14.1
116.06262	3.2
117.07014	68.9
119.04914	2.5
119.08582	23.1
121.06535	4.2
121.10157	4.4
123.08076	2.3
125.09629	46.7
128.06256	7.9
129.07011	36.5
131.04977	6.7
131.08563	51.6
133.06470	10.2
133.10162	7.0
135.08034	11.1
137.09685	2.2
137.68098	2.1
141.06972	17.9
142.07828	4.0
143.04938	2.6
143.08560	18.9
145.05391	3.1
145.06441	17.9
145.10136	17.2
147.08061	7.0
149.09685	6.6
153.07063	2.9
153.09132	6.9
155.08530	19.0
155.49309	2.1
157.06537	7.3
157.10188	5.4
158.07289	2.3
159.08119	8.5
159.11740	5.2
161.06078	2.7
161.09546	2.5
167.08569	6.5
168.09309	2.4
169.10097	13.4
171.08078	4.0
171.10333	2.8
171.11691	9.9
173.09662	3.3
173.13223	2.8
181.06607	3.0
181.10146	4.7
185.13283	5.1
187.11276	3.5
187.14821	19.2
189.11212	33.3
189.12808	2.8
193.10252	2.2
195.11726	5.3
197.13243	22.6
197.14589	2.2
199.11353	2.6
209.13254	3.8
211.14952	2.4
213.12840	6.2
215.14307	100.0
216.14769	4.9
221.13493	2.7
223.11299	3.4
227.12753	41.3
227.14706	3.6
231.13901	3.5
233.13161	3.1
233.15149	4.0
237.12740	3.5
239.14404	2.8
241.12199	4.4
245.13789	2.9
259.13290	3.4
269.15665	3.3
271.17010	9.8
331.20801	2.5
339.18951	4.1
339.23145	5.7
349.21567	16.0
367.22696	40.3
384.46463	2.3
385.23639	21.6
398.20425	2.2
399.20428	22.0
403.24969	8.8
423.25369	4.3
441.26312	51.7
459.22632	6.9
459.27557	96.9
460.28024	5.4
476.89737	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	459.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68586	0.3
53.84659	0.3
56.05028	1.6
57.05810	0.4
67.05499	0.5
69.03420	0.7
69.07066	7.5
69.44265	1.6
71.32190	0.3
74.06075	5.9
81.07072	0.5
85.02901	0.9
86.09702	100.0
87.10040	1.2
91.05457	0.4
98.06060	1.0
105.07043	0.4
107.08624	0.5
116.07093	0.8
126.05510	5.6
132.10188	5.1
133.10109	2.5
134.10446	1.2
135.10791	0.5
137.09621	1.3
138.09926	0.6
144.06540	0.8
157.13374	3.8
185.12840	4.2
187.14453	0.4
191.14348	0.9
194.28113	0.3
195.11316	0.9
197.09216	1.1
197.11775	0.4
203.13896	7.0
204.14410	0.3
211.13049	1.1
211.14644	0.9
239.13893	19.3
240.14236	0.5
257.14960	13.1
258.15482	0.4
271.04318	0.8
300.19144	0.9
316.22220	0.8
327.66434	0.4
328.18661	5.1
373.15555	0.4
397.24533	0.4
402.88779	0.3
415.19528	0.6
459.18063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74187	0.3
53.03940	1.6
54.92443	0.3
55.01861	1.3
57.03428	0.7
61.02908	0.9
65.03928	0.3
68.99787	0.3
69.03429	3.2
71.01341	0.3
71.04987	0.6
73.01111	0.4
73.02921	0.7
79.05472	0.4
81.03423	3.9
85.02896	7.7
87.00823	3.7
91.03925	0.4
91.05485	3.0
93.07044	0.4
97.02888	5.2
98.06036	0.8
99.02688	0.8
99.04422	1.5
105.01863	2.9
108.04465	1.6
109.02859	4.9
112.61697	0.3
115.05512	0.5
117.01821	0.3
117.06987	2.3
119.08579	6.6
125.02473	0.3
126.05508	0.7
127.03916	7.5
129.01801	0.4
132.01135	0.4
134.07230	0.9
139.06374	0.3
140.01649	1.5
142.03189	0.7
145.04977	2.0
148.07573	0.5
149.09608	100.0
150.09981	2.7
154.04961	0.4
159.02864	1.9
173.65221	0.3
180.04723	0.5
182.06335	1.6
186.02185	2.8
189.09103	0.6
191.10672	1.6
195.10159	4.5
198.05919	0.5
211.16138	0.3
213.03966	0.4
226.05281	3.3
228.06717	0.4
229.12256	2.7
230.06595	0.4
231.04994	1.2
248.07639	0.6
257.11646	0.5
272.06027	0.4
348.00137	0.3
361.12643	0.7
372.44525	0.3
434.82965	0.4
460.19617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01866	11.6
57.03431	5.6
57.17274	0.8
60.04512	1.5
61.02930	6.8
65.03920	1.2
68.99785	2.9
69.03422	29.9
69.33701	2.6
69.34110	1.2
71.01342	0.8
71.04981	3.8
73.02905	6.1
77.66531	0.8
79.05469	1.5
80.04991	1.0
80.54278	0.7
81.03409	32.9
83.01334	1.0
85.02894	80.9
87.00820	33.8
87.04447	1.5
91.03940	1.8
91.05457	1.2
93.03399	0.9
95.04945	0.9
95.11974	0.7
96.76070	0.7
97.02883	31.6
98.06055	0.9
98.76914	0.7
99.04452	14.5
101.02370	1.1
103.03948	0.9
103.05463	6.0
105.01147	1.4
105.01855	28.5
105.06976	1.5
107.04948	8.0
108.04474	10.9
108.05173	0.7
109.02867	32.5
115.05421	1.3
117.01881	3.7
117.02549	0.7
119.05002	0.7
121.06471	0.8
126.05493	4.4
127.03900	59.3
128.04262	1.3
128.07063	1.6
129.01782	3.4
131.04915	1.4
135.08052	5.6
139.03853	4.4
144.80341	0.7
145.04945	24.6
145.06552	1.0
147.02838	2.9
154.06226	32.3
159.02864	19.3
163.07510	27.6
164.07867	0.9
167.07040	1.3
177.03929	1.4
180.07820	2.1
189.03871	0.9
195.10143	100.0
196.10524	2.4
213.03943	3.5
230.06531	4.0
231.04951	12.0
248.07712	4.8
249.06154	0.9
253.39598	0.8
266.08649	0.7
344.06677	0.8
382.65674	0.7
460.22409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01873	6.4
55.05507	8.3
55.56470	2.8
57.03422	5.1
67.05493	10.9
69.07063	28.3
70.06561	3.2
71.44086	2.7
79.05489	8.6
80.05011	8.2
81.07052	11.2
82.02922	6.5
82.06587	3.6
83.04959	3.7
86.09718	8.6
86.49915	3.1
91.05453	15.2
93.07037	11.2
94.06573	5.2
95.04971	4.7
95.08598	5.4
96.04482	22.5
97.06499	4.0
98.09666	5.3
105.07014	15.6
107.04996	4.4
107.08547	7.5
108.04459	36.5
109.06528	5.0
109.10135	3.5
110.06014	22.7
111.08100	4.7
117.07027	5.4
119.08603	10.3
121.06522	6.0
121.10170	3.9
122.06008	4.9
122.09622	6.0
128.06206	4.1
129.06976	11.8
131.08551	10.0
132.88403	2.8
133.06480	4.3
133.10097	7.0
135.08087	6.8
137.09619	8.1
137.50859	2.8
138.05478	7.4
138.09120	6.9
143.08543	11.8
145.10120	9.0
147.08072	6.3
147.11678	9.7
149.09612	5.1
150.09148	11.0
152.10696	5.3
155.08525	6.7
156.09290	4.6
157.10104	10.8
159.07896	3.3
159.11705	8.8
161.09590	11.5
163.11183	4.3
164.10706	63.0
166.08890	3.1
167.08607	3.4
169.10069	5.9
171.11626	28.1
173.09633	8.5
173.13220	4.6
175.11165	10.9
178.12308	10.2
183.11644	9.4
185.09665	6.2
185.11369	3.1
185.13286	10.3
187.11137	5.6
189.12724	13.6
191.97536	3.0
197.13235	4.3
199.11172	11.5
199.14830	13.2
201.12737	4.7
206.11711	9.7
206.15358	13.7
209.13266	8.3
210.11232	9.7
211.11191	5.3
212.11882	3.2
213.12762	12.8
214.13516	14.6
215.14226	6.5
222.11220	10.1
224.12787	9.9
227.14287	33.1
228.14836	2.9
233.15219	4.1
245.15425	8.9
252.12326	12.4
272.16681	4.3
290.17435	19.3
301.22574	4.1
310.18121	5.5
322.21671	12.0
326.21237	3.2
336.18207	3.7
340.22818	12.4
354.20724	3.2
360.23242	6.4
368.21945	3.4
369.24048	4.0
372.21701	4.8
378.24274	53.9
379.24579	3.7
386.23657	7.5
396.25217	40.1
414.26254	18.3
424.24847	20.0
429.18661	5.6
442.25854	100.0
443.26901	7.3
460.21094	4.7
460.26910	47.3
461.21365	15.1
461.28226	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	460.2694
Annotation	Militarinone A
Peak:m/z	Relative Intensity
53.03934	2.1
53.66693	1.4
55.01865	3.2
55.05511	4.6
57.03423	5.5
67.05499	8.2
68.05030	4.0
69.03426	2.0
69.07052	6.4
70.06590	2.8
79.05489	5.7
80.05006	9.2
81.07026	3.6
82.06569	4.5
83.04993	2.9
83.08620	2.5
84.04503	3.6
86.09718	3.3
88.03976	2.4
91.05486	5.9
93.07044	5.8
94.06577	10.5
95.04971	5.0
95.08585	4.8
96.04492	12.8
96.08150	2.2
97.06528	2.7
98.06040	5.7
105.07044	8.8
107.04926	2.1
107.08587	5.1
108.04478	38.6
108.08102	2.5
109.10163	2.1
110.06048	13.6
113.05976	2.3
117.07069	3.6
119.08580	10.8
121.06495	4.9
121.10114	3.5
122.06036	24.3
122.09656	4.7
124.07613	3.0
124.11323	2.2
129.06973	3.3
131.08566	8.3
133.10121	7.6
135.08087	4.8
135.11705	3.2
136.07530	4.5
136.11206	3.5
137.09512	3.9
138.05597	2.3
140.07048	4.1
142.07758	2.9
143.08565	6.1
145.06589	2.2
145.10088	8.8
147.08029	5.9
147.11707	8.2
149.09590	4.8
150.05594	4.7
150.09132	14.0
152.10692	3.7
154.04988	4.3
155.08542	3.3
156.09363	5.3
157.10121	10.8
159.08035	3.7
159.11674	6.3
160.08852	3.8
161.09592	12.7
161.13283	2.9
162.09222	2.1
164.10703	56.0
166.12234	2.2
167.08534	2.4
169.10118	9.6
170.10881	3.2
171.08109	2.6
171.11679	19.9
173.09622	9.5
173.13351	1.9
175.11165	10.7
176.10725	3.1
178.12244	9.8
178.86597	2.2
183.11740	6.9
185.09583	6.1
185.13188	9.0
186.13884	2.1
187.11183	6.9
187.14850	2.1
189.12733	11.1
193.10175	2.1
194.10889	1.9
195.11710	3.5
197.09633	2.8
197.13330	4.5
199.11180	16.9
199.14883	9.7
200.15277	2.0
201.12723	1.9
203.14221	2.5
204.13789	3.4
205.42017	1.8
206.11783	10.3
206.15407	13.1
209.13211	7.4
210.11276	12.4
211.14774	2.6
212.11990	3.0
213.12772	15.3
214.13593	14.6
215.14246	6.5
219.13834	2.7
222.14781	4.0
223.11168	4.5
223.15005	2.7
224.12794	10.4
227.14284	27.6
233.15253	3.0
234.11142	2.7
239.14474	2.2
245.15349	9.2
247.14697	2.2
248.16492	2.1
249.16446	2.1
250.13861	2.2
252.12196	17.5
252.16014	4.0
260.16495	6.9
265.15909	8.2
270.05188	2.0
270.14709	2.3
272.16394	5.1
284.16519	2.4
290.17490	18.9
293.15384	4.3
294.18533	1.9
298.21527	2.9
302.17487	2.2
318.16968	2.6
322.18234	3.3
322.21637	9.8
324.19696	3.3
326.21188	6.2
328.22839	2.2
336.18048	3.9
336.23056	2.5
340.19125	3.6
340.22562	11.5
350.24704	6.3
354.20636	3.9
360.22964	4.5
368.22269	3.8
372.21536	3.0
378.24283	49.4
379.24521	4.2
386.23175	7.7
389.45898	2.1
396.25357	38.7
400.17953	2.7
406.23755	3.0
414.26453	16.4
415.26382	2.9
424.24860	22.2
425.24948	3.8
442.25876	100.0
443.20395	2.5
443.26190	7.5
460.21344	1.8
460.26892	52.3
460.33380	2.6
461.21414	34.8
461.27209	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	461.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	43.8
69.62652	4.5
74.97614	2.3
84.96031	37.7
86.09683	1.9
90.53886	1.3
98.97582	78.3
102.97064	3.1
104.85957	1.2
104.98473	1.2
110.97569	49.9
112.99149	5.0
116.98618	26.1
116.99405	1.8
124.99133	4.9
126.97063	2.0
128.98604	38.7
128.99509	2.3
129.10240	1.3
131.00192	3.0
134.99635	4.9
137.02713	1.8
140.98590	5.3
143.00159	17.1
144.98108	2.8
146.99644	11.3
149.01219	2.0
150.99171	1.5
151.00668	3.0
152.98608	1.6
155.00171	1.5
156.98106	6.2
158.99605	10.8
161.01219	12.5
162.99142	2.3
165.00793	1.4
165.02176	2.8
167.00238	1.6
169.01677	2.5
170.99649	8.3
171.70567	1.3
173.01242	2.8
174.99133	11.6
175.00673	5.2
177.00714	8.2
177.02251	3.7
179.02287	2.3
181.01724	1.6
182.99715	2.3
183.03305	5.0
185.01216	1.9
185.04953	1.3
189.00775	6.8
193.01720	25.5
194.99738	2.2
195.03343	5.4
197.01297	2.8
201.00702	11.2
203.00241	3.1
209.01213	2.6
211.02777	46.1
212.03059	1.4
213.00761	3.6
213.04301	2.2
219.01765	71.3
221.01196	17.9
223.02689	2.0
223.99924	3.2
227.02284	3.6
229.03781	8.8
237.02805	100.0
238.03194	1.9
239.02264	54.6
241.03697	1.6
247.01227	5.1
255.03969	6.0
257.03329	21.6
261.02811	2.8
263.02264	5.5
265.02356	5.6
273.02832	5.0
275.04453	4.2
279.03992	1.5
281.03363	10.4
291.03979	1.9
299.04410	4.0
301.02341	21.2
301.05499	2.7
302.02917	1.5
303.03976	7.2
319.03308	13.3
321.04858	2.5
337.05954	13.4
339.03842	3.2
355.06964	3.3
357.04965	1.7
365.05463	11.4
383.06393	5.8
401.07529	28.7
419.08575	65.3
420.08789	3.0
461.09662	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17258	0.8
70.06594	1.5
86.09701	1.8
91.05433	1.0
93.07043	1.5
104.47366	1.0
121.06506	1.3
122.86569	0.9
128.07130	1.2
149.05988	7.9
184.04572	1.6
189.05254	6.8
199.02139	2.1
205.03166	1.1
206.01540	1.2
210.02516	2.5
217.03197	5.8
225.04265	0.9
235.02107	1.6
235.04239	11.1
257.02612	1.2
329.08453	2.0
359.09982	1.1
365.08423	1.9
383.08591	1.6
401.08200	34.9
402.08704	1.7
425.09973	0.9
461.13895	100.0
462.13831	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	461.1074
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
55.51940	0.3
56.51458	0.3
67.95660	0.3
69.37857	1.8
79.36399	0.4
81.42085	0.4
85.02884	0.4
100.11217	0.4
103.05392	0.4
105.03364	0.5
131.04904	0.4
143.32124	0.4
144.05756	0.4
168.05687	0.4
179.04926	0.9
209.97704	0.4
224.04730	0.4
226.05338	0.8
229.12262	0.4
230.12593	0.7
241.04941	0.4
242.05656	1.3
269.04385	1.1
270.05203	70.7
271.05585	2.8
284.03079	0.7
285.07547	100.0
286.07870	4.9
358.34818	0.4
461.11798	1.1
461.17355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.8
69.03413	3.8
70.28420	6.0
74.83576	2.4
78.69088	2.2
97.02901	3.5
98.97578	6.4
127.03927	2.9
149.55380	2.3
193.07338	2.5
196.10533	4.3
211.11198	2.6
217.84396	2.5
227.13158	4.2
237.02904	2.3
245.10004	4.3
317.00848	2.3
329.12637	3.0
347.13583	5.4
461.17856	100.0
462.18179	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	461.1936
Annotation	7beta-Hydroxycatuabine F
Peak:m/z	Relative Intensity
54.03061	1.2
54.78358	1.0
55.05498	4.8
67.05498	8.6
69.07063	3.5
70.05589	1.2
70.05910	2.2
70.06590	1.6
70.07279	1.1
70.84507	1.0
79.05494	7.9
81.03419	1.4
81.07064	9.7
83.04939	1.1
83.08623	2.5
88.57786	1.1
91.05478	11.9
93.07060	6.3
93.07558	1.0
95.04923	2.9
95.08591	3.8
98.23364	1.3
105.07013	7.1
107.04983	2.3
107.08582	3.4
109.10161	2.4
115.05432	1.7
117.07008	5.4
119.08601	5.2
121.10159	1.9
128.06201	2.0
129.06992	6.4
131.08566	6.8
133.06500	2.5
133.10136	2.2
135.08069	1.3
135.11681	1.3
141.06979	2.5
143.08548	3.6
145.10138	4.1
155.08542	4.0
157.10156	2.5
159.11647	1.6
161.09634	1.5
163.11267	1.1
169.10143	2.5
171.11746	2.4
185.13277	2.0
195.11580	1.3
209.13208	2.3
213.12738	1.3
217.57390	1.2
239.14452	1.3
270.05173	2.8
285.07495	3.6
341.24768	2.0
351.23108	5.2
369.24191	7.9
387.25354	6.0
401.20761	1.3
443.27896	6.5
461.19339	100.0
461.28778	10.4
462.19620	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	461.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32064	0.3
54.98098	0.3
69.43686	1.2
85.02886	0.4
98.23519	0.3
121.78507	0.3
145.35965	0.3
163.03908	0.3
173.36049	0.3
183.33073	0.3
197.11711	0.5
245.79939	0.3
317.08524	0.3
329.15677	6.9
359.02896	0.5
461.19910	100.0
462.20264	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	461.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92468	0.4
60.77039	0.4
85.02901	0.4
98.22659	0.7
100.12365	0.4
163.03900	1.2
250.53354	0.4
329.15656	7.2
350.47794	0.4
437.12396	0.4
461.19916	100.0
461.30887	10.3
462.20184	4.8
482.68317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92468	0.4
60.77039	0.4
85.02901	0.4
98.22659	0.7
100.12365	0.4
163.03900	1.2
250.53354	0.4
329.15656	7.2
350.47794	0.4
437.12396	0.4
461.19916	100.0
461.30887	10.3
462.20184	4.8
482.68317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64314	0.4
55.05458	0.8
58.96197	0.4
60.06447	0.3
65.57718	0.4
66.06947	0.3
67.05425	1.2
69.07018	0.6
69.71115	1.2
73.04781	0.4
79.05439	0.9
81.03336	1.2
81.06980	1.3
83.08566	0.5
91.05435	0.9
91.67256	0.4
93.06963	1.4
95.04886	0.6
95.08558	0.4
97.06443	0.4
103.94592	0.3
105.06975	0.8
107.08529	0.9
111.07947	0.4
116.54540	0.3
117.06950	0.8
119.08511	1.0
121.06410	0.6
121.10074	0.8
131.08473	0.7
133.10025	0.6
135.07983	0.4
135.11609	0.8
143.08467	0.7
145.06410	0.5
145.10077	0.8
169.10106	0.5
171.11632	0.5
173.09572	0.4
173.13155	0.6
193.12160	0.5
197.13170	0.5
209.04182	1.4
219.13759	1.2
251.16267	0.5
275.08856	0.8
277.10379	1.4
327.67032	0.4
344.40317	0.4
351.23123	0.4
369.24298	0.7
383.18103	4.7
401.19299	100.0
402.19632	4.9
443.26697	0.4
461.21405	15.6
461.28751	1.7
462.21936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28006	0.5
55.05492	1.7
60.83692	0.6
67.05476	2.1
69.07050	1.7
70.06568	0.5
79.05480	1.3
81.03378	1.1
81.07047	4.3
83.04976	0.8
83.08588	1.3
88.43513	0.6
91.05467	1.0
93.07035	2.1
93.31176	0.6
95.04926	0.9
95.08600	1.5
100.11250	1.1
105.07023	1.4
107.04933	0.8
107.08569	1.7
109.23042	0.6
119.08550	1.4
121.10139	1.1
123.08034	0.6
125.09621	0.9
126.69018	0.6
131.08539	1.0
133.10133	1.1
135.29681	0.6
137.09618	0.7
145.10139	0.8
147.11678	1.3
149.13249	0.9
159.11623	0.7
163.11215	0.7
177.12715	0.8
185.04214	0.7
193.12503	0.6
195.13824	1.8
210.14940	0.9
270.05133	1.0
275.20096	2.6
286.86133	0.6
299.08881	1.4
313.14072	0.9
341.17377	4.6
351.15707	1.7
369.16696	31.3
370.17215	1.5
373.19794	2.4
380.42776	0.7
383.18222	11.0
401.19318	100.0
402.19644	5.2
429.18680	4.6
458.76987	0.7
461.15198	1.3
461.21414	27.6
461.27686	1.0
462.21481	0.7
474.60239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2509
Annotation	Trp Lys Gln
Peak:m/z	Relative Intensity
57.03422	0.6
59.72565	0.4
63.27934	0.4
67.05486	0.7
69.32315	0.4
70.47885	1.0
73.38536	0.4
79.05485	0.8
81.07050	1.3
93.07023	0.9
95.08588	0.8
95.39928	0.4
107.08620	0.6
121.10078	1.2
122.03377	2.3
125.09603	0.5
133.10063	0.6
139.11163	1.4
145.48705	0.6
147.11700	0.5
221.11478	0.7
249.11002	1.5
250.11676	0.7
317.19669	0.8
343.18829	1.9
401.22980	20.9
402.23187	0.9
461.25043	100.0
462.25497	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	461.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27644	2.3
55.05501	11.2
57.03423	8.6
65.03942	2.4
67.05500	41.7
69.07059	11.2
69.22131	2.2
69.32968	14.7
78.36172	2.5
79.05489	20.6
81.07050	66.3
83.04999	6.1
83.08631	3.4
87.51064	2.4
91.05457	8.9
93.07035	40.6
95.04942	3.2
95.08604	49.0
95.09203	2.5
98.98458	6.4
104.24197	2.4
105.07027	16.0
107.08572	23.0
109.10162	19.9
113.00010	100.0
117.06999	4.6
119.08586	11.0
121.10142	11.1
123.11687	15.5
131.08527	8.1
133.10092	8.0
135.11642	13.0
137.13243	7.2
145.10129	5.4
147.11678	8.1
149.13249	5.7
150.95535	3.2
151.07529	6.4
155.01067	4.0
159.11700	4.2
161.13237	7.9
163.14807	4.6
168.95695	3.3
169.02635	20.2
173.13226	5.3
175.14790	4.1
177.16437	2.4
182.35773	2.7
183.04201	2.4
186.96780	8.3
187.03606	13.4
187.14845	3.6
204.97940	3.2
275.23730	32.3
285.07367	2.7
331.26233	18.1
335.25687	3.4
349.27356	79.6
350.27615	4.5
378.38364	2.7
447.18271	4.4
461.20215	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.8
57.03431	11.3
57.07070	3.4
67.05504	32.1
69.07059	14.0
71.43964	1.9
79.05489	20.2
81.07055	64.2
83.04984	16.1
83.08617	5.5
85.36614	1.6
91.05476	13.3
93.07042	40.2
95.04936	2.6
95.08601	46.8
97.10166	3.2
98.98464	4.9
105.07034	15.0
107.08588	23.1
109.10149	19.9
113.00015	100.0
119.08585	11.5
121.10149	14.7
123.11686	12.6
131.08566	5.6
133.10150	9.6
135.11668	11.1
137.13243	8.5
139.05450	2.0
143.04179	1.7
145.10112	5.2
147.11687	6.5
148.67741	1.8
149.13258	6.2
151.11273	1.8
151.14772	3.8
155.01015	4.0
155.69865	1.8
158.94009	1.6
159.11665	4.2
161.13202	4.5
163.14821	5.5
168.95828	1.9
169.02617	23.1
173.13188	4.1
175.14804	3.9
177.16368	3.0
183.04173	4.0
186.96895	3.6
187.03616	12.1
187.14809	3.8
189.16370	2.6
201.16431	2.2
204.97916	3.2
257.22610	4.5
275.23685	30.2
285.07553	2.3
289.21765	2.2
291.23251	3.0
293.24667	4.1
331.26218	15.3
349.27353	85.9
350.27585	2.9
447.17905	2.3
461.20108	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
55.05504	40.1
57.03430	10.4
65.03911	6.0
67.05165	5.9
67.05502	81.7
69.03405	5.7
69.07068	28.5
69.87445	13.0
71.05002	6.3
79.05495	66.0
81.03414	3.9
81.07058	72.8
83.04967	11.5
83.05476	3.6
83.08620	28.7
85.06538	5.7
91.05476	100.0
93.07043	55.0
94.87294	3.6
95.04964	13.2
95.08614	49.5
97.06527	15.3
97.10169	9.3
99.81910	3.8
101.09313	4.4
103.05446	7.5
105.07022	82.2
107.04942	13.0
107.08594	31.4
109.06515	6.4
109.10135	17.0
111.08067	7.5
115.05463	13.3
117.07011	49.2
119.08570	34.5
121.06476	9.7
121.10138	16.2
123.08068	7.1
125.09605	4.4
128.06219	19.1
129.07002	68.4
130.07794	4.4
131.08563	70.4
133.06514	6.4
133.10121	24.9
135.08009	8.5
135.11655	10.2
135.75310	3.7
137.09612	6.8
141.06963	23.2
142.07771	6.9
143.08554	51.7
145.06470	16.6
145.10117	31.8
147.08063	9.8
147.11670	10.9
149.09624	13.3
153.06999	9.7
155.08539	38.6
157.06451	4.1
157.10110	31.1
159.08076	9.1
159.11697	17.8
161.09587	5.7
163.11163	6.1
163.22626	4.4
165.06958	8.3
166.07756	4.6
167.08557	18.7
168.09351	4.4
169.10130	28.6
171.08080	4.6
171.11729	21.5
171.13014	4.6
175.11177	3.9
177.12726	5.8
179.08534	10.7
181.10072	21.3
182.15816	4.7
183.11682	16.4
185.13281	10.7
187.14610	4.4
193.10162	9.3
195.11621	18.6
197.13263	11.8
199.11095	4.7
199.14803	6.8
207.11766	6.9
209.13177	14.7
211.11191	7.7
211.14780	8.6
213.12825	4.7
215.14365	12.9
221.13258	13.3
223.14873	12.2
229.16168	5.2
235.14769	9.4
237.12578	4.9
239.14378	9.0
252.48494	4.2
253.15791	5.0
257.15298	9.1
269.12805	4.5
269.15442	4.3
271.17010	12.8
309.18451	4.6
315.20911	6.8
323.23770	10.1
333.22052	13.0
341.24753	13.0
351.23172	56.4
359.26294	4.1
369.24255	38.7
387.25323	27.7
407.25720	4.8
425.26874	8.1
443.27917	69.1
461.29034	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40659	2.0
51.73351	2.4
53.03940	5.7
55.01862	9.1
55.05508	33.6
57.03433	16.1
58.71988	2.4
65.03938	6.1
67.05502	76.4
67.79852	2.3
69.03411	3.2
69.07069	26.9
71.04983	5.8
77.03901	4.1
79.05489	66.7
81.03406	4.7
81.07052	71.2
83.04985	7.3
83.08611	19.9
85.02898	3.1
85.06524	5.9
88.79403	2.5
91.05476	100.0
93.07043	54.8
95.04957	19.7
95.08605	40.2
97.06535	8.4
97.10170	10.0
98.23470	9.1
99.08121	2.6
103.05465	5.9
105.04474	3.3
105.07026	70.5
107.04958	15.8
107.08598	26.9
109.06517	11.3
109.10163	20.6
111.08083	4.9
115.05447	8.6
116.06277	2.3
117.07009	49.7
119.04908	4.7
119.08566	42.6
121.06485	14.4
121.10148	16.0
123.08054	4.9
123.11708	5.0
125.09644	5.9
128.06207	16.4
129.07001	56.3
130.07593	2.5
131.04913	5.7
131.08560	56.3
131.09470	4.7
133.06485	9.6
133.10126	24.2
135.08060	9.8
135.11732	9.9
137.09618	9.1
141.07013	15.6
142.07756	8.4
143.08560	48.0
145.06502	18.9
145.10120	33.8
147.08060	11.8
147.11673	8.7
149.04486	2.7
149.09598	8.5
149.13231	2.9
151.11145	3.7
153.06993	3.9
154.07819	4.8
155.08557	25.4
157.06506	7.2
157.10097	30.2
159.08073	11.4
159.11705	15.3
161.09648	7.1
161.13286	2.9
163.11191	4.5
165.07062	5.7
167.08554	13.7
168.09349	2.5
169.10123	20.7
171.07924	6.3
171.11671	20.0
173.09619	9.4
173.13266	9.3
174.65039	2.6
175.11214	7.1
177.12781	4.9
178.07751	3.2
179.08595	7.2
181.10060	14.5
183.08134	3.2
183.11655	14.9
185.09668	3.6
185.13251	15.2
187.11189	5.2
187.14828	3.4
189.12811	5.2
191.14270	3.4
193.10117	4.5
195.11613	11.2
197.09589	2.6
197.13225	11.2
199.11067	3.6
199.14832	9.4
201.12741	7.8
203.14410	2.4
207.11656	7.2
209.13231	9.5
211.11147	3.2
211.14799	8.3
213.12769	9.7
215.14278	5.5
217.15901	4.6
221.13223	13.0
223.14751	8.0
225.12779	4.7
227.14339	4.3
231.13840	3.7
231.17398	4.0
235.14890	3.0
237.16389	2.4
239.14413	6.5
241.15868	5.3
245.15402	5.0
247.14915	2.6
253.15804	7.1
257.15445	6.0
259.16861	4.5
261.14624	2.5
267.17740	2.6
270.05188	7.8
271.16922	7.5
275.16391	3.6
285.07645	11.6
285.18365	4.0
315.21008	4.2
323.23666	10.4
333.21933	14.5
341.24579	18.2
351.23169	54.0
359.25836	4.5
369.24249	78.1
370.24557	6.7
387.25269	48.2
401.18808	3.5
405.25903	2.7
407.26230	2.7
425.26974	3.8
425.96652	2.7
429.18692	7.1
443.27872	82.8
444.28198	8.0
461.15366	3.0
461.21399	45.5
461.28873	79.6
462.28998	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06472	1.5
52.28895	2.0
53.03942	3.9
55.01876	9.5
55.05510	40.0
57.03440	10.7
57.37191	1.6
61.06648	1.4
61.88573	2.2
65.03944	5.3
67.05502	79.4
67.64008	2.0
68.05803	1.8
69.03409	3.1
69.07064	27.2
70.79327	2.6
71.04990	4.7
73.06551	2.3
77.03923	3.9
78.67784	1.7
79.05492	67.0
81.03411	2.8
81.07053	67.7
82.07370	2.0
83.04989	7.0
83.08620	18.2
85.06547	5.6
91.05474	100.0
91.64205	1.5
93.06449	3.2
93.07041	62.1
95.04960	22.0
95.08605	37.4
97.06525	11.5
97.10172	8.0
99.08107	1.9
103.05438	4.1
105.04508	4.2
105.07025	68.5
107.04955	13.5
107.08588	25.6
109.06506	12.0
109.10139	18.3
111.08106	4.0
115.05463	9.9
116.06212	3.9
117.06192	2.5
117.07013	52.4
117.07802	3.4
119.04951	3.8
119.08570	43.2
120.98608	1.8
121.06510	13.5
121.10143	15.1
123.08086	6.9
123.11780	1.7
125.09626	5.4
127.07617	1.9
128.06210	13.6
129.06996	63.2
130.07813	3.9
131.04961	3.2
131.08557	73.2
133.06488	10.7
133.10135	21.0
135.08049	10.8
135.11665	9.0
137.09596	4.6
139.11160	2.4
141.06976	20.9
142.07755	9.1
143.08562	51.8
144.09309	2.1
145.06479	17.3
145.10110	33.6
145.11201	2.0
147.08041	16.6
147.11717	7.6
149.09613	9.9
151.11211	3.3
153.07045	5.0
154.07806	3.9
155.08556	32.7
156.09279	3.2
157.06523	3.8
157.10124	28.7
158.10797	2.5
159.08060	13.3
159.11688	16.5
161.09645	7.2
161.13239	2.1
163.11163	4.0
165.07059	7.2
167.08553	14.3
168.09341	4.1
169.10121	22.3
171.08087	6.6
171.11679	21.0
173.09674	7.2
173.13225	8.1
175.09860	2.0
175.11249	5.5
177.12794	5.1
179.08592	5.4
181.10109	15.3
183.08090	2.7
183.11694	16.8
185.09607	4.5
185.13261	11.9
187.11263	5.2
187.14888	4.7
189.11208	3.3
193.10202	6.8
195.11685	13.1
197.13216	8.7
199.11258	3.6
199.14859	7.5
201.12801	3.2
203.14342	2.2
205.10231	2.6
205.12387	2.6
207.11647	8.1
209.09497	1.8
209.11591	1.9
209.13306	10.0
211.14867	6.8
213.12810	6.8
213.16539	2.6
215.14293	8.9
217.16013	5.6
219.11745	2.1
219.13838	2.3
221.13251	9.2
223.14864	8.2
225.12869	5.4
225.16463	4.3
227.14430	5.9
229.16121	2.2
231.13791	2.0
231.17465	2.4
233.15402	2.3
235.14883	6.0
237.12852	3.3
239.14386	8.2
241.16011	4.3
243.13788	3.4
245.15392	4.3
247.14859	2.3
253.15938	4.3
257.15430	5.3
259.16962	3.1
267.17529	2.7
271.16895	8.6
273.15012	1.8
273.18561	2.2
285.07645	3.9
285.18549	3.3
305.22534	3.4
323.20438	2.2
323.23636	9.6
333.22122	17.1
341.24881	17.4
351.23132	54.6
351.27185	2.9
352.23441	2.6
359.25720	2.4
369.19601	4.4
369.24255	78.5
370.24783	4.5
387.25253	36.7
388.25589	2.8
405.26694	2.9
417.26376	2.1
425.26913	3.2
433.29636	3.0
443.27911	68.3
444.28387	4.6
461.22836	3.2
461.29120	57.3
462.29413	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	462.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.73435	0.8
58.91452	0.8
58.99564	1.7
61.02922	1.2
69.03423	3.7
69.76942	1.5
69.77335	2.2
73.04756	2.6
74.00649	1.0
75.49586	0.9
76.02223	9.2
77.41142	0.9
79.05502	1.0
81.03403	1.4
85.02898	12.0
91.05779	4.4
97.02875	3.9
105.00058	2.8
105.07027	26.4
109.02876	1.1
109.06531	6.4
115.05452	6.8
117.07018	18.7
122.02721	30.4
127.03912	2.7
133.06479	85.1
134.06793	1.3
135.08055	5.1
137.04295	7.0
137.05962	29.8
145.04898	1.7
149.05986	1.9
150.01297	2.8
161.05966	60.3
162.06358	1.3
165.03691	28.7
167.05576	1.8
179.07021	100.0
180.07347	2.3
183.04762	4.8
210.52707	1.0
211.04254	8.9
219.04814	1.4
225.04405	1.7
236.07428	2.4
244.12900	1.0
253.60059	1.0
254.08482	3.6
265.05386	7.8
282.07935	21.1
283.06271	20.2
300.08975	64.7
301.09286	1.9
342.99768	1.5
359.02621	4.8
378.10153	1.6
429.08679	1.6
445.11606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.05038	0.7
56.43358	0.5
57.03399	0.6
57.07061	0.5
58.06605	1.0
62.06087	5.7
65.03944	0.7
66.99686	0.4
67.05483	0.9
69.05788	0.6
70.02951	0.7
81.03407	0.5
82.06583	0.6
83.04978	2.7
84.08139	79.6
85.08502	0.7
98.98452	3.0
100.11266	2.4
102.09176	48.7
105.07041	0.9
107.08570	0.9
109.10124	0.6
111.04420	0.7
115.05482	1.0
117.06989	3.8
119.08580	0.7
121.02865	5.8
121.06483	0.9
124.99984	0.5
126.09136	1.1
128.06221	4.5
129.07014	2.8
130.60069	0.5
133.06491	0.7
135.08054	6.4
143.08589	1.2
144.10184	0.5
145.06477	7.9
147.07999	0.5
151.03902	5.8
155.06070	0.9
159.08034	0.6
161.05968	1.0
163.07518	2.6
165.05478	1.4
171.08055	3.8
173.02162	0.6
173.05983	5.1
173.09666	0.5
182.05786	9.0
182.15332	0.6
187.07610	0.6
187.11174	1.1
191.07054	1.5
198.05298	2.2
201.12819	0.8
210.14880	1.2
215.10683	3.4
216.06358	3.0
219.13850	0.7
229.12222	6.8
238.08366	13.9
256.09433	100.0
257.09796	2.2
265.14392	1.2
272.16541	0.9
283.15411	1.1
290.17572	4.0
301.10318	0.6
308.18604	1.7
330.16180	1.2
337.30157	0.6
461.19934	1.1
462.20078	50.5
463.15057	1.0
463.20477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68992	4.2
55.01857	4.3
55.05510	25.9
57.07075	4.8
61.65575	4.3
67.05504	79.4
67.79263	4.3
69.03458	5.6
69.07065	36.6
69.38987	25.1
71.04981	7.3
79.05492	47.1
80.25377	4.6
81.07053	100.0
83.04992	5.2
83.08619	21.2
91.05452	39.8
93.07034	46.3
95.04967	10.8
95.08593	38.5
97.06533	14.8
97.10173	12.1
98.22716	8.8
105.07027	34.0
106.48158	4.3
107.04979	5.1
107.08582	33.3
109.06535	10.6
109.10139	11.4
111.08054	11.5
117.07021	12.0
119.08568	28.0
121.06491	7.8
121.10123	23.2
123.08078	6.7
125.09647	15.6
131.08578	17.9
133.10132	29.5
135.08038	6.8
135.11682	15.6
143.08586	5.2
145.10138	12.8
147.11687	16.2
149.09621	18.4
149.13293	28.9
157.10088	4.6
159.11644	25.3
161.13300	7.7
163.11194	9.1
165.09190	4.7
173.13252	6.7
177.12746	17.3
179.14369	6.3
185.88136	4.7
195.13800	72.0
213.14821	34.1
229.19527	5.7
239.17854	7.2
257.19003	21.0
275.20032	97.3
287.11319	9.9
293.21149	17.5
369.16873	6.4
370.17065	39.5
384.18481	9.9
385.19821	8.3
391.21082	6.2
401.19348	9.4
402.19656	84.3
403.20810	31.1
462.21771	19.3
463.23315	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	462.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.4
67.05501	36.6
69.03420	7.2
69.07059	17.5
69.65855	18.1
77.12090	3.5
79.05477	17.9
80.19374	4.0
81.07051	38.4
83.04972	5.0
83.08619	9.5
88.11277	3.9
91.05481	17.9
93.07013	21.9
95.04961	5.8
95.08607	12.5
97.06523	4.4
97.10166	11.4
105.07022	13.3
107.08580	17.9
109.06495	4.2
109.10133	16.9
117.07002	10.5
119.08577	10.3
119.44408	4.3
123.08050	4.3
125.09624	10.9
127.11250	4.5
129.41028	4.3
130.72005	4.4
131.08559	13.6
133.10143	10.9
135.11600	5.5
145.10135	12.5
147.04312	7.1
147.11754	4.8
149.13278	15.7
159.11679	7.0
163.11122	5.4
173.11761	23.8
177.12747	6.9
195.13806	30.4
213.14824	13.5
258.05145	7.2
263.73907	4.4
275.20004	43.1
287.11395	6.2
293.20953	6.9
301.07028	100.0
371.17987	4.8
385.20047	7.8
402.19745	13.1
403.21030	26.0
447.34357	5.0
462.21594	18.8
463.22974	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	463.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77823	5.8
57.37357	5.6
64.61116	5.5
69.46986	21.5
72.19355	5.5
74.14947	5.1
88.20040	5.7
94.93011	52.6
98.23465	13.5
102.21293	6.1
136.94002	20.6
150.91949	90.9
152.93500	9.9
160.63086	5.8
162.95529	32.7
180.92841	5.6
198.98566	13.7
206.94577	23.6
210.94160	19.4
215.01004	7.6
224.95581	9.6
250.93539	70.5
268.94595	77.3
270.97684	100.0
284.99149	9.3
286.95648	9.0
301.01498	10.0
308.99185	17.2
352.98203	35.0
359.02744	7.8
380.34549	6.4
382.99161	9.4
401.00220	18.4
426.98331	44.4
444.99240	92.3
446.54883	6.1
463.00446	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	463.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04564	0.7
56.96558	19.3
69.03421	1.1
69.76228	3.9
73.04773	1.9
79.09301	0.8
81.03432	1.1
84.96031	7.8
85.02895	2.2
97.96770	1.8
98.22668	1.9
98.97576	19.1
98.98174	1.7
109.02878	1.3
110.97569	9.6
115.97832	1.2
116.98601	6.5
121.06452	1.3
124.99125	8.5
126.99886	0.9
127.00694	4.2
127.03942	0.9
128.98582	9.7
131.03740	1.0
131.04887	1.2
134.97574	1.3
134.99702	1.6
138.97057	1.8
139.00702	2.9
140.98618	1.1
143.00154	16.5
145.01752	3.6
146.99666	2.8
152.98563	9.4
155.00146	1.4
156.98096	3.8
157.01700	1.6
158.99622	6.2
161.01208	11.6
165.99306	1.1
169.01680	1.9
170.99667	6.5
174.99202	5.5
177.00714	3.3
177.02194	1.4
179.00142	4.5
181.01768	3.2
182.99646	2.5
189.00763	2.2
189.02296	1.2
195.03310	2.8
196.79597	1.0
197.01176	7.0
198.02014	1.4
199.02873	2.7
201.00778	2.8
205.01685	9.8
205.03180	1.0
206.99702	1.2
207.03348	1.9
211.02882	1.1
213.04318	1.2
215.02267	2.4
219.01698	8.4
223.02760	47.3
225.00699	3.1
225.04317	2.1
237.02765	9.7
241.03818	100.0
242.04178	2.6
247.29373	1.1
259.04877	35.2
260.05258	1.3
265.03848	37.2
267.01773	2.3
273.02832	1.5
283.04880	66.2
284.05115	1.3
287.05212	1.8
301.02606	2.0
301.05960	5.5
307.04901	1.5
323.04483	1.9
323.39023	1.0
325.06009	7.3
327.03998	1.0
339.32037	0.9
341.05219	1.2
343.07138	2.5
349.05865	1.9
360.02783	2.8
367.07004	8.6
385.08154	2.1
403.09131	12.4
421.10123	30.8
463.11224	33.2
463.17200	1.5
464.11551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.1
70.35415	2.2
98.97559	1.8
116.98621	1.1
119.05765	1.0
119.08553	1.1
121.02887	1.5
121.58660	1.0
128.98557	0.9
151.03920	2.0
291.03897	1.8
385.45560	1.2
463.15723	100.0
464.15967	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	463.1577
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
53.98218	1.2
70.34759	2.3
83.89334	1.2
87.76027	1.3
91.43765	1.1
98.97599	2.8
185.43497	1.3
206.12782	1.3
223.71700	1.3
330.94846	1.5
342.55600	1.2
463.15765	100.0
464.16202	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	463.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
55.05500	11.3
57.03436	4.2
57.07050	2.7
57.98274	2.7
67.05499	22.1
68.05017	3.5
69.03423	12.1
69.07046	10.2
69.45593	14.2
69.79839	2.9
71.04996	5.1
72.08155	24.8
77.68140	2.6
79.05492	10.2
81.03414	9.4
81.07048	30.7
83.04977	4.7
83.08603	7.5
84.08118	8.0
85.02907	20.8
85.06544	4.0
86.09695	4.6
87.00800	5.9
91.05476	8.9
93.07035	17.1
95.08611	10.9
96.04488	12.2
97.02887	9.8
97.06495	4.1
97.10161	5.8
98.23447	6.0
99.04415	6.6
105.01833	3.4
105.07037	9.2
107.08601	9.9
109.02835	4.5
109.10145	13.0
119.08524	5.1
121.10108	6.5
122.09711	5.7
123.11694	4.5
127.03886	20.0
127.11206	13.5
133.10141	6.5
135.11633	4.4
147.90192	2.7
149.13234	7.7
150.07999	2.6
150.09117	51.1
159.11716	5.6
164.10753	3.2
168.10207	11.9
177.12766	4.4
196.09673	60.4
200.04422	2.8
215.16423	3.3
243.15872	4.7
269.17413	6.3
270.05109	6.3
271.05576	5.0
272.05771	8.6
285.07620	6.0
286.07825	5.4
287.05383	3.5
287.08237	13.3
336.26483	4.4
374.78546	2.9
400.24780	26.4
403.20474	6.3
418.25833	11.4
419.16891	7.0
446.25348	10.0
452.49619	3.2
463.17117	100.0
463.30884	13.5
464.17471	4.1
464.31311	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	463.1783
Annotation	Glu Glu Trp
Peak:m/z	Relative Intensity
66.40482	0.4
66.40833	0.4
69.34785	1.1
69.35184	1.4
72.26437	0.4
73.04739	0.8
74.76611	0.4
85.02899	0.8
91.05779	0.9
98.78798	0.5
121.02897	0.5
127.09361	0.5
133.06477	0.5
134.06807	0.6
151.03925	0.7
153.01807	0.5
161.06013	0.5
167.05524	0.6
191.98921	0.5
260.46411	0.5
301.12640	2.2
331.13629	1.3
335.09409	2.0
430.08856	0.7
463.17847	100.0
464.18433	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	463.1806
Annotation	Decaffeoylverbascoside
Peak:m/z	Relative Intensity
53.03939	1.2
55.01871	1.2
55.05506	3.2
57.03429	8.9
57.34883	0.8
61.02919	2.7
69.03068	1.3
69.03426	20.5
70.06561	0.8
71.01350	1.6
71.04990	42.8
71.41623	0.8
73.02923	4.9
73.04756	1.7
74.06104	1.0
75.04479	10.3
81.03405	2.5
83.04973	7.8
84.04514	1.7
85.02901	100.0
86.09698	2.6
87.04453	2.1
91.05453	4.3
91.05890	1.7
93.07045	0.9
95.04969	2.0
97.02880	7.0
99.04430	1.6
101.06007	1.8
103.05461	1.1
105.07016	3.8
107.04901	1.1
109.02866	1.8
111.04433	5.3
113.05957	0.8
115.05444	1.7
116.98595	0.8
119.04929	3.5
121.02889	2.1
121.06516	2.0
123.04432	1.2
126.79781	0.8
127.03929	5.2
129.05475	35.0
129.07010	2.7
131.04918	9.3
133.06508	4.0
137.05969	35.4
143.04857	1.0
144.06583	1.1
145.04936	2.5
145.06432	1.0
147.04524	1.2
147.06509	19.4
149.05981	8.1
151.07541	10.6
155.07036	2.9
157.06412	2.2
158.09814	0.9
161.05980	7.8
162.07573	1.7
163.07520	1.4
165.05476	5.6
165.07536	1.4
167.05688	1.6
167.07042	4.7
175.07558	3.2
176.96877	0.9
179.07045	14.4
185.05981	1.5
189.05417	1.0
191.07191	2.0
194.99612	0.9
197.06195	1.1
197.07973	1.3
199.07588	1.7
203.06996	5.6
205.08531	0.8
217.08585	1.3
217.76447	0.9
221.08165	6.8
229.08528	1.3
245.08069	2.5
245.11351	1.4
247.09631	10.2
251.09241	1.2
255.08621	1.3
263.09158	6.3
263.12070	1.6
265.10724	2.0
281.10086	1.7
299.11084	1.5
301.12747	1.1
317.12286	1.2
335.09390	1.9
345.79456	0.9
359.02731	1.8
360.02966	3.2
385.04041	1.9
430.08881	2.1
463.17871	20.8
464.18246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58438	0.6
62.99439	0.6
67.05391	1.1
67.49639	0.6
69.85017	2.2
89.62386	0.7
98.22739	0.8
133.09996	0.7
143.08025	0.7
147.08038	0.7
156.09189	0.7
177.50479	0.7
233.56471	0.8
247.09183	1.3
257.14969	0.9
287.16110	1.3
343.18613	2.0
353.17175	11.9
354.17575	0.9
371.18274	38.7
372.18558	1.6
385.19885	12.0
403.20889	100.0
404.21228	5.2
431.20331	4.8
445.17923	1.1
463.23053	28.5
464.23364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.88556	1.1
55.01859	3.6
55.05501	4.3
57.03428	3.2
65.03918	1.7
67.05495	3.4
69.03419	3.5
69.76936	3.1
69.77260	2.6
71.04978	5.0
79.05505	7.0
81.03403	4.6
81.07044	4.9
83.04966	2.6
83.08595	2.6
85.02888	4.2
91.05473	4.1
93.07027	10.0
93.63138	1.3
94.07289	1.7
95.04959	4.9
95.08616	7.3
97.02894	1.9
97.06526	3.1
99.04445	2.1
100.11231	5.3
101.46011	1.2
105.07027	7.5
107.04774	1.3
107.08585	5.8
109.02860	2.4
109.06472	2.5
109.10126	4.4
111.04414	1.7
111.08070	4.3
113.09631	9.2
119.08577	4.1
121.02858	15.6
121.06516	4.3
121.10152	2.9
123.04451	2.5
123.08056	3.0
125.05953	2.3
127.03900	3.5
127.07607	1.7
127.98313	1.2
129.07013	2.2
129.09096	9.8
131.08569	3.7
131.12733	1.4
133.10197	1.7
137.05978	3.1
139.07513	5.5
143.07021	1.5
143.08546	1.7
145.06467	3.3
145.10120	5.0
147.08023	1.5
147.11646	3.4
149.13239	3.2
151.03902	14.0
151.05006	2.3
154.07594	3.1
155.08540	1.5
157.06453	2.4
157.08557	6.3
157.09981	1.5
158.07233	3.5
159.08009	6.7
159.11661	7.0
161.06007	2.2
161.13211	1.7
169.09738	24.9
172.08830	12.8
173.09598	5.5
173.13345	1.5
174.06703	4.2
175.07477	1.6
176.13147	1.4
182.07237	3.5
182.15413	2.1
185.05986	5.9
185.09596	1.6
187.07545	3.3
187.11208	9.2
197.09462	3.2
199.07503	2.7
200.08281	18.7
209.16469	1.6
210.14806	1.6
215.10654	100.0
216.11011	4.4
223.16917	1.5
229.12181	6.0
283.19055	2.0
339.18512	1.4
463.15875	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	463.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.88556	1.1
55.01859	3.6
55.05501	4.3
57.03428	3.2
65.03918	1.7
67.05495	3.4
69.03419	3.5
69.76936	3.1
69.77260	2.6
71.04978	5.0
79.05505	7.0
81.03403	4.6
81.07044	4.9
83.04966	2.6
83.08595	2.6
85.02888	4.2
91.05473	4.1
93.07027	10.0
93.63138	1.3
94.07289	1.7
95.04959	4.9
95.08616	7.3
97.02894	1.9
97.06526	3.1
99.04445	2.1
100.11231	5.3
101.46011	1.2
105.07027	7.5
107.04774	1.3
107.08585	5.8
109.02860	2.4
109.06472	2.5
109.10126	4.4
111.04414	1.7
111.08070	4.3
113.09631	9.2
119.08577	4.1
121.02858	15.6
121.06516	4.3
121.10152	2.9
123.04451	2.5
123.08056	3.0
125.05953	2.3
127.03900	3.5
127.07607	1.7
127.98313	1.2
129.07013	2.2
129.09096	9.8
131.08569	3.7
131.12733	1.4
133.10197	1.7
137.05978	3.1
139.07513	5.5
143.07021	1.5
143.08546	1.7
145.06467	3.3
145.10120	5.0
147.08023	1.5
147.11646	3.4
149.13239	3.2
151.03902	14.0
151.05006	2.3
154.07594	3.1
155.08540	1.5
157.06453	2.4
157.08557	6.3
157.09981	1.5
158.07233	3.5
159.08009	6.7
159.11661	7.0
161.06007	2.2
161.13211	1.7
169.09738	24.9
172.08830	12.8
173.09598	5.5
173.13345	1.5
174.06703	4.2
175.07477	1.6
176.13147	1.4
182.07237	3.5
182.15413	2.1
185.05986	5.9
185.09596	1.6
187.07545	3.3
187.11208	9.2
197.09462	3.2
199.07503	2.7
200.08281	18.7
209.16469	1.6
210.14806	1.6
215.10654	100.0
216.11011	4.4
223.16917	1.5
229.12181	6.0
283.19055	2.0
339.18512	1.4
463.15875	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	463.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.3
69.34504	1.0
69.34909	1.7
69.96664	0.5
78.61195	0.6
79.05466	0.9
81.07057	1.5
93.07015	1.4
95.08585	1.0
140.44441	0.5
149.13347	0.6
185.04205	51.5
201.11844	0.8
288.47217	0.5
301.21393	24.5
302.21591	1.0
463.26620	100.0
464.26929	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	463.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34245	2.8
55.05511	14.9
56.61262	2.9
57.03424	7.3
57.07055	3.6
59.66978	3.0
67.05505	29.2
69.07057	19.8
69.39367	14.2
69.39763	5.7
79.05470	8.3
81.07046	37.2
83.08602	11.1
90.34269	2.9
91.05482	6.8
93.07043	8.5
95.08599	31.7
97.10150	8.2
98.22745	5.0
105.07037	2.7
106.44328	3.0
107.08638	6.5
109.10181	13.8
113.00008	91.9
114.80762	2.7
119.08588	3.2
121.10093	4.9
135.11678	4.4
151.89960	2.9
169.02586	39.2
187.03656	4.3
258.39127	3.2
259.24216	4.8
277.25241	7.2
351.28906	100.0
352.29343	3.5
384.06299	3.5
432.91867	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	463.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37587	2.7
55.05513	16.3
57.03439	8.6
57.07083	4.0
67.05496	21.3
69.07076	16.7
69.28704	7.9
69.29117	7.5
79.05505	9.9
81.07044	32.2
83.08619	8.1
84.30155	2.5
91.05486	6.6
93.07036	8.1
95.08594	26.1
97.10123	6.7
98.22755	5.4
105.07047	6.0
107.08595	5.1
109.10151	8.9
111.11730	3.1
113.00007	85.7
121.10149	4.8
121.15217	3.0
123.11710	4.7
142.11646	3.1
145.46304	2.6
169.02588	30.1
187.03619	5.4
236.85001	2.9
277.25198	3.2
320.62888	3.1
351.28915	100.0
352.29300	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	463.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83590	0.6
52.85468	0.6
55.05501	2.3
57.03428	0.9
65.03940	0.9
67.05498	8.3
69.07059	3.2
71.04981	0.9
73.76603	0.7
79.04560	0.6
79.05490	5.4
81.07052	12.0
83.04961	0.7
83.08600	1.3
90.85019	0.6
91.05476	3.3
93.07050	7.7
95.04976	1.5
95.08600	2.9
96.03091	0.7
98.22711	1.6
105.07018	1.4
107.08596	4.0
109.10136	0.8
111.08064	1.2
117.07005	1.1
117.54454	0.7
121.10146	2.3
129.64500	0.6
131.08539	1.2
133.10150	0.8
135.11670	1.5
149.13263	4.8
159.11697	1.5
177.12801	1.0
181.55106	0.6
189.68982	0.6
195.13803	2.3
250.19098	0.6
287.05505	1.4
288.39249	0.7
314.67648	0.6
445.29239	100.0
446.29498	7.6
463.30478	83.4
464.30624	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	463.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
62.89544	0.6
67.05516	3.6
71.44083	0.8
79.05489	3.2
81.07059	5.4
91.05509	1.6
93.07047	3.1
95.08617	2.2
102.07918	0.7
107.08595	2.0
131.08589	0.9
135.11748	1.1
149.13269	2.3
195.13773	1.1
197.66972	0.7
201.10365	0.8
202.06096	0.7
287.05066	1.0
445.29233	100.0
446.29379	6.4
463.30469	82.4
464.30612	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	463.304
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
53.03953	0.8
55.01875	0.7
55.05508	4.5
55.61807	0.6
57.03438	1.7
58.55173	0.6
67.05504	14.6
69.07057	4.3
69.51701	1.1
69.52121	2.3
71.04967	0.6
75.62405	0.7
79.05486	10.9
81.07055	16.6
83.04976	2.2
83.08624	2.3
85.06545	1.1
91.05477	11.8
93.07048	11.1
95.04968	3.2
95.08608	6.3
97.06520	1.3
97.10172	1.0
98.22683	1.4
105.04507	0.9
105.07021	9.2
107.04958	1.0
107.08586	5.8
109.06510	1.0
109.10158	2.4
111.08039	1.0
115.05444	0.7
115.91438	0.7
117.07018	4.7
119.08567	5.4
121.06519	1.1
121.10123	3.3
129.06990	3.3
131.08566	7.5
133.10126	4.0
135.11682	2.0
141.07007	0.8
143.08586	2.7
145.10161	3.7
147.08002	1.0
147.11754	1.4
149.09682	0.7
149.13269	4.1
155.08571	1.6
157.10188	1.7
159.11731	2.2
167.08562	0.7
171.11681	1.9
173.13255	1.7
177.12752	1.1
181.10126	1.2
183.11812	0.9
185.13257	0.9
195.13857	1.2
197.13306	1.2
209.13312	0.8
233.15274	0.8
269.72537	0.7
273.61829	0.7
287.05441	1.9
302.44965	1.0
306.45743	0.7
325.25336	0.9
335.23773	1.1
343.26431	1.7
353.24802	4.0
371.25842	4.4
372.26260	0.8
389.26749	6.0
407.10220	2.1
413.38907	0.7
445.29404	4.0
463.30417	100.0
464.30783	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30250	1.2
51.02376	1.9
53.03942	3.5
55.01875	6.8
55.05511	27.6
57.03429	9.2
57.07078	2.4
57.60489	1.0
59.04982	2.0
65.03951	3.5
67.05500	78.4
69.07065	26.9
71.05003	5.6
76.42828	1.3
77.03925	2.5
79.05489	66.6
80.05830	1.2
81.03435	1.7
81.07056	76.1
83.04990	5.3
83.08617	15.5
85.06549	5.0
86.95786	1.4
91.05477	83.5
92.05872	1.5
93.07040	63.7
95.04962	15.9
95.08602	44.6
97.06527	9.3
97.10151	5.5
97.71741	1.2
98.22729	4.8
99.08066	2.4
101.06065	1.3
103.05499	3.6
105.04524	4.2
105.07026	76.3
107.04933	7.6
107.08587	30.4
109.06518	9.6
109.10149	13.6
111.08108	4.5
111.11749	1.0
115.05468	4.7
116.06231	1.9
117.07014	40.9
119.04949	1.4
119.08574	47.3
119.09416	2.5
120.08991	1.7
121.06483	9.2
121.07156	0.9
121.10140	20.5
123.08085	3.6
123.11700	2.6
125.09681	1.8
127.69267	1.2
128.06206	6.8
129.07001	24.7
130.07796	1.3
131.08559	66.2
132.02122	1.2
132.08900	2.0
133.06512	3.8
133.10130	30.5
135.08052	6.4
135.11674	9.9
137.09596	3.2
139.11147	1.9
141.05968	2.2
141.06932	10.5
142.07803	3.2
143.08557	23.1
145.06519	4.8
145.10120	33.7
145.11215	2.1
147.04416	1.6
147.08041	7.8
147.11703	9.0
149.09608	8.8
149.13226	7.2
151.11171	2.4
153.09181	1.4
155.08539	14.4
157.06488	1.5
157.10138	16.5
159.08080	3.3
159.11687	16.5
161.09608	6.0
161.13307	4.2
163.11246	2.2
165.07010	1.3
167.08597	6.2
168.09503	1.4
169.10085	11.1
171.08073	1.5
171.11726	11.3
173.09735	3.3
173.13258	8.2
175.03978	3.2
175.11246	2.3
175.14861	1.9
177.05443	1.1
177.12801	2.4
181.10147	5.1
182.10945	1.6
183.11687	9.3
185.09727	2.3
185.11497	1.1
185.13202	7.6
187.11279	2.3
187.14915	4.4
189.12767	1.4
189.16272	1.4
195.11754	5.5
195.13774	3.0
197.13222	8.7
199.11165	3.1
199.14845	4.9
201.12854	2.7
201.16512	2.7
207.11752	2.7
209.13324	4.9
211.14828	7.3
213.12741	2.5
213.16458	2.2
215.14403	3.2
217.15962	2.3
219.06482	8.2
219.13846	2.4
221.13481	1.7
223.14919	4.0
225.16519	3.3
227.14445	3.6
231.17648	1.9
233.15424	3.8
237.16525	1.6
241.16019	2.4
243.17554	2.4
245.15526	2.1
247.17050	5.1
255.17664	2.3
257.19089	1.3
259.17014	3.3
261.18594	4.1
273.18619	1.9
275.20273	1.8
287.05545	1.6
287.20074	1.8
307.24152	2.7
317.22644	1.8
325.25204	9.0
327.23578	1.2
335.23743	10.2
343.26260	14.2
353.24692	40.0
354.25378	2.6
360.23090	1.3
361.27972	1.3
371.25787	54.3
372.26141	2.7
389.26822	55.3
390.27264	2.9
427.28604	5.2
445.29468	100.0
446.29895	6.2
463.30643	54.0
463.37222	2.1
464.31119	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.21740	1.2
55.01861	6.3
55.05507	31.1
57.03434	10.3
57.07071	2.9
64.32556	1.2
65.03930	5.7
67.05498	88.1
68.05806	1.2
69.03417	1.6
69.07063	26.8
71.04993	7.2
77.03899	2.4
79.05486	72.6
81.03420	2.3
81.07050	78.9
82.17275	1.3
83.04982	5.3
83.08604	14.9
84.20441	1.3
85.06548	4.5
85.16393	1.0
87.04482	1.3
91.05473	100.0
92.05818	2.0
93.07037	71.5
95.04961	16.1
95.08598	47.1
95.09216	2.1
97.06520	9.6
97.10178	4.8
97.41383	1.3
99.08109	2.6
103.05467	5.4
104.06202	1.6
105.04529	5.4
105.07021	89.6
107.04945	9.6
107.08590	33.3
109.06506	10.0
109.10148	16.6
111.08089	4.5
115.05445	6.2
116.06296	1.4
117.06197	2.3
117.07015	44.7
119.04863	1.3
119.08569	56.1
121.06482	10.7
121.10139	22.0
123.08083	5.7
123.11716	3.3
123.22027	1.4
125.09628	2.1
126.49394	1.2
128.06215	6.1
129.06992	30.0
130.07755	3.1
131.08559	74.0
132.08992	2.1
133.06516	4.6
133.10117	35.2
135.08032	9.1
135.11688	11.7
137.09647	4.3
141.06963	11.3
142.07785	4.2
143.08551	25.3
144.09331	1.3
145.06540	6.3
145.10114	40.9
145.11226	2.5
146.10483	1.7
147.08038	8.8
147.11667	10.0
149.09573	6.8
149.13266	5.1
151.11232	2.8
153.07027	2.4
154.07817	3.1
154.16284	1.4
155.08530	14.7
157.10121	18.4
159.08047	3.8
159.11687	20.6
161.09613	4.3
161.13263	4.1
163.11205	3.1
167.08537	6.7
168.09361	1.6
169.10104	13.2
171.08078	2.4
171.11670	15.4
171.12831	1.4
173.09587	3.3
173.13248	10.3
175.11197	3.9
175.14851	2.3
177.05423	1.6
177.12756	2.2
179.08478	1.4
181.10101	7.7
183.11656	8.1
185.09636	3.1
185.13213	10.1
187.11198	4.3
187.14883	6.9
189.12733	2.6
191.14377	2.0
195.11725	6.0
197.13199	8.2
198.49231	1.2
199.11169	3.2
199.14845	5.5
201.12778	3.6
201.16371	3.2
203.14496	1.8
205.15784	1.8
207.11745	2.6
207.13731	1.4
209.13203	6.5
211.14754	7.1
213.12877	2.8
213.16362	2.2
215.14409	2.9
217.15994	1.7
219.13904	1.9
219.17511	1.7
223.14861	3.8
225.16422	4.3
227.14371	2.8
227.17973	2.4
229.16026	2.6
231.17465	1.5
233.15401	5.5
235.17023	3.9
237.16441	3.8
243.17448	2.5
245.15292	1.6
247.16861	6.1
255.17493	3.1
259.16953	4.8
261.18552	4.6
271.17081	1.4
273.18597	3.9
275.20084	1.4
285.18771	1.3
287.05478	1.3
287.19968	2.6
307.24188	1.4
317.22464	1.5
325.25189	10.6
335.23630	12.8
343.26260	18.5
344.00156	1.4
344.26633	1.8
353.24707	51.6
354.25424	1.9
361.27701	1.8
371.25781	53.5
372.26169	3.8
389.26797	57.6
390.27359	2.6
427.28549	4.5
445.29480	82.0
446.29962	4.0
463.30475	94.6
464.30811	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
53.03944	5.8
55.01873	3.7
55.05513	25.5
57.03442	8.6
57.07072	3.1
61.39888	1.8
65.03935	4.6
65.08982	1.7
67.05505	89.6
68.05836	1.6
69.03429	1.5
69.07068	29.5
71.04982	7.2
71.68193	1.5
79.05494	65.0
81.03407	2.4
81.07054	100.0
83.04980	6.2
83.08620	18.0
85.06541	6.3
91.05478	58.5
91.06059	3.2
93.07046	82.3
94.07433	1.6
95.04963	13.0
95.08603	44.8
97.05914	2.2
97.06519	13.2
97.10174	3.0
99.08069	3.1
103.05469	2.7
105.04515	4.7
105.07030	49.0
107.04950	6.1
107.08591	41.5
109.06519	5.3
109.10162	9.7
111.08071	10.3
115.05434	2.1
115.78231	1.5
117.07011	29.0
119.08578	22.9
121.06507	6.4
121.10138	20.9
123.08053	3.5
123.11733	3.1
125.09701	1.7
128.06212	1.9
129.07011	13.4
131.08572	37.1
133.06454	2.8
133.10144	22.4
133.94904	1.3
135.08049	7.0
135.11725	9.7
141.07001	5.7
142.07840	1.9
143.08549	14.8
143.39389	1.6
145.06491	2.4
145.10136	17.1
147.08064	4.2
147.11700	6.9
148.22372	1.5
149.09581	4.3
149.13254	31.5
151.11214	2.3
155.08565	4.8
156.38297	1.4
157.10071	8.2
159.08261	2.1
159.11699	20.9
161.09708	2.2
161.13252	3.8
163.11275	1.8
167.08568	2.5
169.10124	6.4
171.08063	1.8
171.11743	5.0
173.13290	5.4
175.11110	2.8
177.12756	9.6
181.10129	2.1
183.11687	5.0
185.13237	4.9
187.14825	2.9
189.23015	1.6
193.12190	1.8
195.11890	3.8
195.13812	18.4
197.13220	4.9
199.14793	3.8
201.12730	2.9
201.16420	2.7
209.13271	3.6
211.14828	1.7
213.12775	1.9
213.14693	3.4
225.16516	2.1
233.15338	2.4
247.16904	3.5
287.05457	6.4
325.25415	3.4
335.23709	4.8
343.26401	9.1
351.33099	1.6
353.24680	17.8
371.25769	26.1
372.26279	2.4
389.26889	22.4
427.28381	3.5
445.29565	17.3
446.29639	2.4
463.25378	7.0
463.31235	59.2
464.31015	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88306	2.2
53.03941	5.1
55.01864	6.7
55.05509	29.8
57.03422	6.7
57.07072	4.4
57.30468	2.0
62.54156	2.3
65.03936	6.0
65.56626	1.9
67.05502	87.0
68.05842	2.7
69.07067	27.5
69.92634	2.4
71.04990	6.0
71.43117	2.9
77.03912	3.5
79.05489	64.4
81.07055	90.6
83.04979	6.6
83.08626	12.5
85.06552	3.0
90.68512	2.7
91.05476	100.0
92.05794	3.4
93.07038	72.4
95.04965	18.1
95.08601	56.8
97.06553	5.6
97.10175	6.4
103.05482	3.9
105.07024	93.7
105.07738	4.6
106.07411	3.5
107.04938	4.2
107.08583	33.3
109.06518	7.6
109.10148	23.0
111.08047	4.2
115.05436	3.5
115.89659	2.4
117.07008	36.2
119.08571	50.5
121.06507	10.3
121.10135	24.6
123.08035	4.7
123.11700	4.0
125.09579	4.0
128.06226	4.9
129.07005	21.7
130.07817	3.0
131.08572	66.6
133.06473	5.9
133.10104	29.3
135.08051	6.3
135.11688	9.3
137.09604	5.3
141.07018	10.0
142.07742	2.7
143.08542	27.6
145.06477	6.1
145.10107	37.7
147.08054	7.5
147.11674	10.3
149.09601	6.9
149.13258	6.2
151.11221	3.8
155.08525	10.8
157.10126	17.9
159.11671	17.8
161.09543	4.7
161.13289	3.2
167.08594	3.3
169.10127	10.3
171.11620	12.4
171.32817	2.2
173.09645	4.0
173.13268	7.0
175.11194	2.9
175.14903	2.8
181.10118	5.3
183.11717	5.8
185.13202	8.0
187.11185	3.3
187.14836	4.9
195.11691	6.7
195.13800	2.7
197.13231	10.4
199.14914	3.9
209.13239	5.2
211.14796	5.4
213.12761	3.7
213.16270	4.1
217.15845	3.1
227.14264	3.3
233.15253	3.8
241.15800	2.5
243.17511	2.6
245.15436	3.5
247.16959	10.8
255.17357	2.6
259.17075	5.1
261.18457	4.7
263.16364	2.7
273.18427	5.5
287.05353	3.0
287.20340	2.3
325.25232	9.4
327.22882	2.5
335.23691	10.7
343.26190	15.6
353.24707	39.9
354.24966	2.7
371.25739	43.8
389.26846	61.8
427.28427	3.0
445.29340	17.5
463.20313	2.5
463.30682	55.6
464.30939	3.0
480.74689	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01874	7.3
55.05518	31.8
57.03439	12.2
65.03939	2.9
66.75218	2.5
67.05503	77.3
69.07068	25.7
69.36698	4.5
69.37115	10.3
71.04982	5.6
77.03909	3.3
78.49075	2.1
79.05489	62.6
81.07055	70.0
83.04992	4.0
83.08601	12.7
85.06569	4.9
91.05476	100.0
93.07039	64.0
95.04951	14.6
95.08607	55.1
97.06496	7.2
103.05454	3.4
105.04523	4.9
105.07023	83.0
107.04951	8.7
107.08583	28.5
109.06521	12.0
109.10162	11.3
111.08118	3.8
115.05456	5.4
116.06236	4.0
117.07014	39.4
119.08572	46.3
121.06504	12.4
121.10136	22.1
123.08070	14.1
123.11746	3.5
125.06039	2.7
125.09654	4.5
128.06232	9.9
129.07007	30.5
130.07736	2.8
131.08568	62.7
133.06491	8.1
133.10126	30.3
135.08038	7.7
135.11697	8.7
137.09612	3.5
141.06999	12.3
142.07765	3.7
143.08551	23.5
144.88544	2.6
145.06500	6.8
145.10117	34.7
147.08037	8.4
147.11678	8.5
149.09625	6.2
149.13345	4.9
155.08516	12.8
157.10147	22.9
159.08118	3.3
159.11725	18.1
161.09660	6.5
161.13277	3.6
163.11345	2.7
167.08575	6.3
169.10100	14.1
171.08015	2.9
171.11679	13.9
173.09612	3.3
173.13240	7.5
179.14314	14.8
181.10161	7.4
183.11723	9.7
183.52405	2.4
185.13295	8.9
187.14775	3.7
189.12645	2.6
195.11774	6.5
197.13284	7.1
199.14899	6.8
209.13278	6.8
211.14838	4.5
213.12747	2.9
213.16438	4.2
215.14388	3.1
217.16045	2.7
219.13766	3.8
223.14877	4.6
225.16440	4.1
227.14331	3.6
241.15799	3.1
245.15443	3.0
247.16992	7.5
259.17078	4.9
261.18475	3.7
263.24390	2.5
271.17215	2.7
273.18384	4.2
307.24136	2.5
315.26852	3.6
325.25345	9.5
335.23724	11.6
341.25143	3.1
343.26242	21.4
349.27286	8.3
350.27670	3.6
353.24753	45.4
354.25015	3.9
371.25772	57.7
389.26862	56.9
390.27463	4.5
401.27255	2.5
427.28430	6.2
433.96915	2.8
435.57208	3.1
445.29446	86.5
446.29904	7.4
463.30585	52.6
472.06461	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37470	3.3
53.03942	4.7
55.01867	5.9
55.05513	27.1
57.03437	7.2
60.69859	3.0
65.03930	3.3
67.05159	5.7
67.05502	74.4
67.05865	4.3
69.07063	27.7
69.78728	6.1
69.79115	6.0
71.05009	5.4
74.81768	3.1
76.27845	3.6
77.03932	3.3
79.05489	59.1
81.07055	67.9
83.04964	5.6
83.08619	13.6
85.06538	5.2
91.05477	85.5
93.07045	60.7
95.04979	16.7
95.08600	43.5
97.06538	6.9
97.10175	4.1
100.35933	2.8
103.05456	4.0
105.07023	76.2
107.04947	3.6
107.08601	26.8
108.05261	2.8
109.06519	6.6
109.10162	13.9
111.07992	3.1
115.05460	6.0
117.07000	28.7
119.08567	46.2
121.06519	7.0
121.10152	21.9
123.08076	4.3
123.11640	2.8
128.06197	4.0
129.06993	28.8
131.08562	64.6
133.06493	4.8
133.10117	30.5
135.08078	6.8
135.11693	8.1
137.09621	4.2
141.06998	11.5
143.08578	26.3
145.10123	37.9
147.08060	8.2
147.11673	9.9
149.09604	5.3
149.13290	3.3
151.11263	2.9
155.08620	14.1
157.10109	10.8
159.08131	3.8
159.11703	16.9
161.09599	4.7
161.13365	4.2
167.08510	5.1
169.10146	13.5
171.11664	9.9
173.13237	6.1
181.10182	4.5
183.11705	4.4
185.13258	9.3
187.14818	7.4
191.78580	3.0
195.11739	5.7
197.13210	7.8
199.14806	4.6
201.12799	4.5
209.13254	4.0
211.14812	6.6
215.14412	5.6
223.14993	3.2
233.15285	2.9
243.87997	2.8
247.16899	6.0
255.17494	3.3
259.16821	7.8
261.18533	3.4
273.18506	3.9
287.05667	3.4
307.38931	2.8
325.25275	7.8
335.23715	10.3
343.26395	21.8
352.20074	3.0
353.24881	35.4
371.25797	50.8
372.25964	4.3
389.26923	49.5
390.27118	4.0
427.28403	7.3
445.29459	100.0
446.29739	7.6
463.30460	35.9
464.31128	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	463.3031
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.83590	0.6
52.85468	0.6
55.05501	2.3
57.03428	0.9
65.03940	0.9
67.05498	8.3
69.07059	3.2
71.04981	0.9
73.76603	0.7
79.04560	0.6
79.05490	5.4
81.07052	12.0
83.04961	0.7
83.08600	1.3
90.85019	0.6
91.05476	3.3
93.07050	7.7
95.04976	1.5
95.08600	2.9
96.03091	0.7
98.22711	1.6
105.07018	1.4
107.08596	4.0
109.10136	0.8
111.08064	1.2
117.07005	1.1
117.54454	0.7
121.10146	2.3
129.64500	0.6
131.08539	1.2
133.10150	0.8
135.11670	1.5
149.13263	4.8
159.11697	1.5
177.12801	1.0
181.55106	0.6
189.68982	0.6
195.13803	2.3
250.19098	0.6
287.05505	1.4
288.39249	0.7
314.67648	0.6
445.29239	100.0
446.29498	7.6
463.30478	83.4
464.30624	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	463.3032
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05497	0.8
62.89544	0.6
67.05516	3.6
71.44083	0.8
79.05489	3.2
81.07059	5.4
91.05509	1.6
93.07047	3.1
95.08617	2.2
102.07918	0.7
107.08595	2.0
131.08589	0.9
135.11748	1.1
149.13269	2.3
195.13773	1.1
197.66972	0.7
201.10365	0.8
202.06096	0.7
287.05066	1.0
445.29233	100.0
446.29379	6.4
463.30469	82.4
464.30612	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	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01870	4.3
55.05296	2.9
55.05513	33.0
57.03434	10.0
65.03941	4.0
67.05505	79.3
67.43638	2.2
69.07072	30.3
69.72968	2.2
71.05002	3.1
79.05490	71.4
81.07055	75.6
83.04980	5.2
83.08611	15.1
85.06550	7.1
91.05478	93.5
92.05802	3.0
93.07038	62.4
95.04977	14.3
95.08605	48.5
97.06532	8.8
97.10180	7.4
98.97605	3.9
99.08128	2.8
102.81343	2.4
103.05458	4.4
105.04527	3.9
105.07030	94.2
107.04963	8.3
107.08602	28.2
109.06512	10.5
109.10166	13.7
111.08062	4.6
112.36842	2.0
115.05465	3.4
116.98591	2.9
117.07029	41.4
119.08573	55.0
121.06513	9.9
121.10150	24.1
123.08080	6.4
125.09676	3.0
128.06232	6.0
129.06982	31.5
131.08569	70.1
133.06480	6.4
133.10133	35.6
135.08069	5.6
135.11685	10.8
137.09604	4.6
141.06989	10.3
142.07748	2.5
143.08554	31.7
145.06471	5.7
145.10150	39.4
147.08047	6.5
147.11664	5.5
149.09604	9.4
149.13274	5.6
151.11191	3.2
155.08549	17.4
157.10114	20.3
159.08058	3.6
159.11671	17.6
161.09624	8.0
161.13271	3.3
163.11235	3.3
167.08569	4.3
168.09413	3.2
169.10136	15.0
171.11635	13.8
173.13237	8.4
177.12842	3.6
181.10091	8.2
183.11688	6.5
185.09634	3.9
185.13248	7.8
187.14828	5.9
191.07054	2.8
195.11678	6.5
197.13258	8.7
199.14786	3.5
200.39334	2.2
201.12708	2.4
209.13269	6.4
211.14748	6.0
213.12762	3.8
215.14323	3.9
223.14886	2.9
225.16335	4.9
233.15387	6.8
245.15434	2.8
247.17000	3.3
259.16821	5.4
261.18484	5.7
273.18399	3.1
287.05356	2.8
307.24084	2.4
325.25137	10.6
335.23718	11.0
343.26349	17.6
353.24734	43.2
371.25766	62.1
373.20779	2.9
389.26822	58.5
390.26797	3.2
417.29572	2.7
427.28439	5.5
445.29462	100.0
446.29889	4.3
463.30707	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.5
53.03949	4.0
54.58995	1.9
55.01873	6.7
55.05511	37.9
57.03438	11.7
57.07082	3.4
63.03587	2.1
65.03942	7.1
67.05505	95.6
69.03427	1.9
69.07072	27.1
69.65589	1.9
69.65941	8.1
71.04998	7.3
79.05491	71.5
81.07055	87.7
83.04980	7.6
83.08617	14.0
84.72432	1.7
85.06543	5.1
91.05476	95.3
92.05775	2.2
93.07041	67.0
95.04967	15.7
95.08610	55.3
95.09221	3.2
97.06527	10.7
97.10171	8.5
103.05473	3.9
105.04529	4.5
105.07028	100.0
107.04953	8.1
107.08591	37.7
107.09269	3.3
109.06520	9.6
109.10142	16.5
111.08091	5.3
115.05471	7.3
116.06224	2.8
117.07018	45.6
119.08577	57.7
121.06478	9.6
121.10140	23.4
123.08068	8.4
128.06253	8.7
129.06996	34.2
131.08562	73.4
132.08945	2.0
133.06509	6.4
133.10117	35.7
135.08093	9.4
135.11696	10.9
137.09628	5.6
139.11151	2.7
141.06984	10.4
142.07808	3.4
143.08557	32.1
145.06528	5.8
145.10118	46.6
145.11230	3.6
147.08061	12.7
147.11711	11.4
149.09613	6.0
149.13258	4.6
155.08522	15.8
157.10123	20.1
159.08066	3.4
159.11656	26.9
161.09641	6.7
161.13319	5.9
163.11327	2.0
167.08571	6.3
169.10117	14.9
171.08076	2.3
171.11679	15.7
173.09616	3.7
173.13255	10.6
175.11217	4.1
175.14819	2.5
181.10127	6.7
182.11162	2.1
183.11737	10.3
185.09618	4.6
185.13293	10.1
187.11201	5.0
187.14839	5.1
195.11702	7.7
197.13255	9.6
199.14822	6.2
201.12842	2.7
201.16420	2.3
205.15773	2.3
209.13290	8.0
211.14861	5.4
213.12743	3.8
213.16354	2.4
215.14357	4.7
217.15941	2.4
219.13715	2.1
223.14813	4.6
225.16301	4.0
227.14305	4.3
229.15831	3.7
231.17395	2.0
233.15404	4.8
235.14801	2.3
235.17046	3.1
237.16501	2.6
241.16032	4.4
243.17558	3.8
245.15442	2.4
247.17000	6.4
255.17401	3.7
259.16931	5.7
261.18582	3.5
273.18365	4.3
287.05627	2.3
287.19989	2.4
307.24118	2.7
325.25174	10.4
335.23672	13.6
343.26306	20.3
353.24707	58.4
354.25162	3.3
371.25790	61.3
372.26019	4.0
389.26849	61.6
390.27161	4.2
395.51794	2.2
403.24094	7.7
409.27417	2.6
417.29874	2.6
427.28372	5.5
445.29471	79.8
446.29691	5.8
463.25543	11.2
463.31180	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01859	1.2
57.03431	0.8
59.59265	0.3
60.04517	0.3
61.02920	0.5
68.99790	0.4
69.03429	2.5
70.06586	0.8
71.05012	0.4
73.02931	0.6
73.04713	0.4
77.03913	0.4
79.05479	0.6
81.03420	3.7
84.04513	0.5
84.08146	0.6
85.02402	0.5
85.02901	7.2
86.09682	0.3
87.00834	2.3
91.05469	7.1
93.07043	7.0
95.04959	2.1
97.02887	2.6
99.04433	1.5
101.02364	0.9
103.04858	0.4
103.05479	4.8
105.01846	1.6
105.04506	1.0
107.04944	0.4
108.04452	1.2
109.02879	3.0
110.07169	0.4
117.01759	0.4
118.09556	0.3
119.03408	2.1
119.04945	0.9
120.05724	1.1
121.06506	10.3
123.04489	0.6
125.05994	0.8
126.05479	0.6
127.03915	4.5
129.10223	0.8
131.04887	0.4
131.05962	0.3
135.08093	0.4
137.05962	0.7
138.06732	0.6
139.07538	0.4
145.04968	2.2
147.04440	0.4
148.05219	0.6
149.05978	4.5
151.03900	1.1
159.02888	1.4
166.06256	5.7
167.05508	0.5
167.06892	0.4
181.08591	100.0
182.08905	2.4
231.05173	0.4
248.07532	0.6
270.02814	0.3
287.05280	0.4
288.05838	0.9
303.04959	2.2
361.01892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42992	3.6
55.05494	4.9
55.71983	4.0
57.03427	14.2
60.05839	3.8
61.02917	4.2
62.09904	3.2
65.66144	3.5
69.03434	4.8
70.06576	6.4
71.04993	60.9
73.02909	10.4
75.04478	12.1
83.04952	9.3
85.02899	100.0
91.05780	14.9
97.02891	6.8
105.07085	3.6
111.04451	10.4
121.02846	4.2
121.06489	10.3
127.03870	8.0
129.05469	37.6
145.04918	5.7
145.06477	6.0
147.06523	19.6
147.08063	4.8
152.04199	4.2
160.44832	4.4
187.07527	6.1
205.08601	7.5
361.02582	8.9
464.17572	6.0
465.18338	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01869	2.1
57.03432	4.8
61.02924	7.9
66.14948	0.6
69.03067	0.8
69.03428	15.6
70.06606	0.6
71.04983	2.2
73.02911	4.2
75.04466	1.5
75.97996	0.5
81.03417	6.5
82.63110	0.6
83.01321	0.6
85.02901	100.0
86.03242	1.4
87.04485	2.7
91.03957	5.5
91.73114	0.4
97.02892	24.4
99.04450	4.7
101.02390	0.6
103.03978	0.6
105.07027	7.8
109.02870	7.3
115.03897	1.1
127.03909	25.0
129.27328	0.6
133.06383	0.6
145.04955	51.4
146.05289	0.8
147.08000	1.0
163.06015	23.9
189.09100	0.6
200.84111	0.5
201.09259	0.6
231.10156	0.8
249.11327	1.1
249.52411	0.5
256.01166	0.5
267.12048	0.7
285.13354	3.3
289.09042	0.8
303.05099	0.6
325.11414	0.8
344.41409	0.6
472.95905	0.6
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
53.03941	1.9
55.01869	2.1
57.03432	4.8
61.02924	7.9
66.14948	0.6
69.03067	0.8
69.03428	15.6
70.06606	0.6
71.04983	2.2
73.02911	4.2
75.04466	1.5
75.97996	0.5
81.03417	6.5
82.63110	0.6
83.01321	0.6
85.02901	100.0
86.03242	1.4
87.04485	2.7
91.03957	5.5
91.73114	0.4
97.02892	24.4
99.04450	4.7
101.02390	0.6
103.03978	0.6
105.07027	7.8
109.02870	7.3
115.03897	1.1
127.03909	25.0
129.27328	0.6
133.06383	0.6
145.04955	51.4
146.05289	0.8
147.08000	1.0
163.06015	23.9
189.09100	0.6
200.84111	0.5
201.09259	0.6
231.10156	0.8
249.11327	1.1
249.52411	0.5
256.01166	0.5
267.12048	0.7
285.13354	3.3
289.09042	0.8
303.05099	0.6
325.11414	0.8
344.41409	0.6
472.95905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99781	24.9
57.48166	24.9
66.58912	23.4
67.05502	51.8
70.19917	79.7
75.05190	23.8
75.08344	23.6
81.07073	25.8
82.72668	23.3
83.38205	23.7
95.08601	26.3
96.47089	29.0
104.86818	26.9
111.95532	25.5
112.99979	39.7
113.44849	26.9
133.92104	25.1
212.41634	28.6
251.69437	25.0
279.13293	29.4
326.07654	25.0
335.25797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.38214	0.2
53.02586	0.2
53.03940	0.3
55.01857	0.3
55.05488	0.2
56.77733	0.2
57.03441	1.0
61.02925	2.3
65.03922	0.4
67.05493	0.3
68.99786	0.9
69.03425	3.4
69.68501	0.8
70.06594	0.2
70.76140	0.2
71.04978	0.4
72.08131	0.2
73.02907	0.7
79.05410	0.2
81.03416	2.1
81.07022	0.3
81.41205	0.2
83.05007	0.2
85.02905	9.2
86.09702	0.3
87.04475	0.3
91.03944	1.2
91.05529	0.2
93.03371	0.4
95.04962	0.4
97.02326	0.3
97.02896	3.1
99.04436	0.6
109.02896	1.0
111.00805	1.1
117.07040	0.3
119.86934	0.2
120.08165	0.4
121.02859	1.2
127.03921	1.7
137.02336	3.8
145.04959	1.2
145.06416	0.2
149.02357	0.3
153.01810	4.8
155.82509	0.2
161.05986	0.5
163.03908	0.7
165.01846	2.2
173.05981	0.8
183.02878	0.9
183.04366	0.4
187.03867	0.3
201.05490	2.5
205.04832	0.3
219.06505	0.2
229.04953	5.5
242.81599	0.2
243.11163	0.2
247.06020	0.8
257.04407	3.1
269.10040	0.2
274.04706	1.0
275.05334	0.2
285.03973	1.4
303.04968	100.0
304.05307	3.7
315.05032	0.7
339.70706	0.2
345.06009	0.5
465.10358	0.2
465.17014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03947	0.5
54.23747	0.5
56.86387	0.4
57.03423	0.7
61.02934	1.0
64.93145	0.4
68.99788	0.6
69.03423	3.2
69.78731	1.2
69.79058	0.6
71.05025	0.6
73.02937	0.6
81.03401	1.8
85.02901	9.4
90.15945	0.4
90.94532	0.4
95.04919	0.6
97.02884	3.7
99.04424	0.6
109.02888	1.2
121.02853	1.1
123.04397	0.4
127.03922	1.7
137.02332	3.5
145.04942	2.1
153.01802	3.9
159.55313	0.4
165.01813	1.6
173.05981	0.4
183.02834	0.7
183.04370	0.6
187.03854	0.7
197.34119	0.4
201.05457	1.1
229.04997	4.1
247.05986	0.8
257.04361	3.0
267.02631	0.4
274.04541	0.9
285.03888	1.4
303.04974	100.0
304.05319	2.8
342.22617	0.5
385.72580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03936	0.8
55.01865	0.6
57.03443	1.1
61.02919	1.4
65.03931	0.2
68.99787	0.9
69.03424	3.7
69.26408	1.0
71.04983	0.4
73.02912	0.4
78.36243	0.2
78.38478	0.2
81.03417	2.2
83.01306	0.2
85.02901	10.4
87.04445	0.5
91.03947	0.8
93.03374	0.4
93.97252	0.2
95.04929	0.2
97.02887	3.0
98.22713	0.5
98.83165	0.2
99.04449	0.8
107.04861	0.2
109.02866	1.6
111.00771	1.0
121.02853	0.9
127.03909	1.9
137.02330	4.4
138.23312	0.2
145.04948	1.7
145.06401	0.3
149.02351	0.6
153.01822	5.4
155.04851	0.2
161.05969	0.4
163.03874	0.7
165.01826	2.6
166.02617	0.4
173.05966	0.7
183.02869	0.9
183.04370	0.5
183.77431	0.2
187.03952	0.4
198.32536	0.2
201.05452	2.5
219.06393	0.3
228.04219	0.4
229.04945	4.7
240.30887	0.2
247.06067	0.7
257.04425	3.3
274.04721	0.9
275.05295	0.4
285.04059	1.5
303.04962	100.0
304.05295	4.6
315.05057	0.5
345.05927	0.6
369.06366	0.3
465.09885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.71331	0.2
53.03938	0.8
55.01871	0.7
56.39334	0.2
57.03438	1.2
61.02925	1.9
61.22191	0.2
61.35250	0.2
61.77579	0.2
65.03935	0.4
68.99786	0.9
69.03428	3.7
69.23260	1.2
71.05013	0.3
72.08149	0.3
73.02907	0.5
81.03410	1.8
83.01353	0.3
85.02902	9.5
85.03418	0.5
85.96684	0.2
86.09692	0.5
87.04443	0.3
88.20213	0.2
91.03959	0.6
93.03411	0.5
95.04967	0.6
95.67896	0.2
97.02898	3.8
99.04438	0.6
105.07056	0.2
109.02878	1.4
111.00797	0.9
113.90312	0.2
120.08125	0.3
121.02872	1.3
123.04411	0.4
127.03912	2.1
128.06134	0.2
135.04391	0.3
136.07581	0.9
136.67871	0.2
137.02341	3.8
137.03349	0.5
137.05876	0.3
145.04945	1.3
145.06432	0.3
149.02359	0.4
153.01828	5.0
161.05984	0.4
163.03882	0.7
164.07051	1.2
165.01817	2.4
173.05966	0.7
179.03458	0.2
183.02890	0.8
183.04323	0.4
187.03835	0.3
191.03380	0.3
195.03047	0.2
201.05479	2.3
203.03500	0.2
207.02946	0.2
217.04907	0.3
219.06621	0.3
228.04163	0.4
229.04955	4.9
239.03433	0.3
247.05911	1.0
257.04428	3.7
274.04688	0.7
285.03891	1.8
303.04971	100.0
304.05319	3.9
315.04950	0.6
327.04706	0.3
345.05978	0.5
369.06107	0.2
405.05786	0.3
447.09262	0.3
465.09109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.82644	0.1
53.03943	0.1
55.01879	0.3
55.83071	0.1
56.96545	0.1
59.67525	0.1
65.03925	0.3
66.74865	0.1
67.01866	0.2
68.99775	0.8
69.03417	0.2
70.06578	0.7
72.08143	0.5
73.02943	0.1
78.30434	0.1
81.03399	0.5
81.07054	0.2
84.08127	0.3
85.02901	0.4
86.09681	0.2
93.03387	0.4
95.04948	0.4
95.08562	0.1
107.04951	0.2
109.02853	0.7
110.03622	0.1
111.00803	1.2
116.01639	0.1
116.98598	0.1
117.03337	0.2
119.04980	0.1
119.12695	0.1
120.08096	0.1
121.02857	1.4
121.08244	0.1
123.04410	0.5
127.03870	0.2
131.04938	0.1
135.04367	0.3
137.02322	4.6
137.03317	0.2
145.02806	0.3
145.06454	0.2
147.04407	0.2
147.11203	0.1
149.02339	0.6
151.03802	0.1
153.01802	6.0
153.97011	0.1
154.02127	0.2
155.04877	0.2
157.95557	0.1
159.04324	0.1
161.05969	0.4
163.03891	0.9
165.01822	2.8
166.02559	0.3
167.03342	0.1
173.02380	0.1
173.05954	0.7
176.56624	0.1
177.01833	0.2
177.05498	0.4
179.03441	0.2
183.02858	0.9
183.04398	0.4
187.03865	0.4
191.03311	0.2
191.06993	0.1
195.02829	0.4
201.05437	2.5
205.04916	0.3
207.02875	0.1
211.03964	0.2
213.05592	0.1
215.03366	0.1
219.02916	0.2
219.06474	0.4
228.04309	0.2
229.04936	6.3
239.03470	0.2
245.04521	0.1
247.05975	1.0
257.04422	3.7
258.05014	0.1
269.03339	0.4
274.04718	1.1
275.05377	0.3
285.03879	1.9
287.04379	0.4
303.04944	100.0
304.05298	4.2
304.08853	0.2
315.04767	0.1
337.14139	0.1
425.03973	0.1
443.04980	0.2
464.79755	0.1
465.10156	0.8
465.18970	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
58.30098	0.1
65.03926	0.3
67.01877	0.1
67.05497	0.1
68.99781	0.9
69.03414	0.2
69.54504	0.4
70.06575	0.4
81.03401	0.4
84.08117	0.2
85.02884	0.3
87.77436	0.1
93.03386	0.4
94.87017	0.1
95.04951	0.5
97.02875	0.2
105.03387	0.2
109.02853	0.5
111.00795	1.3
117.07025	0.1
120.08120	0.2
121.02854	1.4
123.04416	0.3
127.03915	0.4
129.10220	0.1
131.04922	0.2
133.06468	0.1
134.08090	0.2
135.04402	0.3
137.02333	4.6
145.02869	0.2
145.06465	0.3
149.02309	0.6
153.01814	5.3
155.04890	0.4
159.04457	0.2
161.05994	0.4
163.03918	0.8
165.01825	2.6
166.02626	0.5
169.07173	0.2
173.05954	0.6
177.01938	0.1
177.05437	0.5
179.03362	0.2
181.04906	0.1
181.08580	0.7
182.08952	0.5
183.02875	1.1
183.04420	0.5
187.03918	0.4
191.03346	0.4
192.67006	0.1
195.02811	0.3
201.05441	2.4
205.05006	0.2
207.02879	0.1
211.03828	0.2
213.05495	0.2
219.03029	0.2
219.06497	0.4
220.52098	0.1
228.04204	0.4
229.04941	5.9
230.05197	0.1
232.03505	0.1
239.03380	0.3
247.06064	0.8
257.04428	3.7
274.04739	1.1
275.05444	0.3
285.03894	1.7
286.04355	0.1
302.04236	0.1
303.04956	100.0
304.05289	3.2
332.11252	0.2
345.06134	0.1
465.10052	0.5
465.18765	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.137
Annotation	Keyakinol
Peak:m/z	Relative Intensity
53.55957	1.2
65.10416	1.1
79.05508	1.2
81.03454	1.3
81.90514	1.1
85.02900	1.7
93.07017	2.5
95.08576	1.4
105.07019	1.3
121.47659	1.2
129.07019	1.3
135.07979	1.2
157.09973	1.4
168.43538	1.0
216.07579	11.0
217.08353	12.0
217.12259	1.6
227.05190	1.9
228.22607	1.2
236.38025	1.0
237.91458	1.2
271.04105	3.3
303.12036	1.9
361.12473	1.5
379.13657	5.5
421.14642	43.2
422.14752	1.9
464.83060	1.4
465.13461	100.0
465.20276	6.5
466.13840	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	465.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01859	2.4
55.05504	19.9
56.05030	3.0
57.03426	6.0
57.07064	3.1
58.99587	10.5
61.02912	2.0
62.29281	1.6
63.86025	1.5
65.29533	1.4
67.05501	30.9
69.03450	1.6
69.07064	22.1
69.08832	9.6
71.04987	11.8
76.02206	13.9
79.05487	16.5
80.05011	3.6
81.03381	1.7
81.07050	72.3
83.04971	6.7
83.08618	15.7
84.04495	61.0
85.02899	5.0
85.06531	21.7
86.99049	7.2
87.02696	2.7
88.03979	6.9
91.05473	21.3
93.07039	22.7
95.08597	96.4
96.08910	1.9
97.06517	25.7
97.10167	9.0
99.08077	13.1
102.05525	4.3
105.00074	8.1
105.07030	32.6
107.08572	13.4
109.02851	1.7
109.06534	3.4
109.10136	9.7
111.08090	6.6
113.04272	1.7
113.09618	3.4
114.03751	4.1
115.07541	2.2
117.07018	2.4
119.08572	50.6
121.10114	15.1
122.02715	25.4
123.08056	5.0
125.04242	1.9
127.07529	2.0
130.04977	14.9
133.10120	38.7
135.11661	17.6
135.14320	1.5
137.02339	2.7
137.09647	3.4
137.13234	17.6
141.09119	2.0
142.03197	24.5
149.13269	3.6
151.14786	1.9
152.09380	1.8
154.05064	2.4
161.13240	100.0
162.13548	2.9
165.01826	1.7
167.14323	3.1
179.14288	83.1
180.14740	2.5
185.15378	1.8
185.22633	1.5
188.03769	12.8
197.15347	74.0
198.15817	1.9
215.16414	18.7
217.08151	3.6
229.05002	3.4
229.12526	8.9
234.04306	1.6
251.06915	2.7
255.14136	5.4
273.15167	21.5
301.14661	4.4
303.04962	49.3
318.17413	5.1
319.15717	48.5
319.19492	1.8
336.18347	64.0
336.22354	3.5
337.18793	2.7
384.18259	3.7
401.20752	2.5
402.19382	4.4
447.21494	9.3
448.20047	5.3
465.22614	57.4
466.23105	2.4
467.12155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01874	2.4
55.05505	13.1
56.05020	3.8
57.03420	4.6
57.07059	2.5
57.11712	1.1
58.99583	9.7
67.05496	30.1
69.03420	3.0
69.07061	20.9
70.16418	1.1
71.03780	1.6
71.04987	11.1
73.02891	1.4
76.02223	13.5
78.17347	1.1
79.05481	19.5
80.05006	3.1
81.03399	1.4
81.07046	76.2
83.04971	6.4
83.08611	17.8
84.04498	54.8
85.02888	4.0
85.06541	18.6
86.99061	6.1
87.02697	4.1
87.04432	1.2
88.03963	7.4
91.04933	2.4
91.05467	24.1
91.05993	2.2
93.07037	23.1
95.04950	1.6
95.08598	96.4
96.08926	2.0
97.05900	1.4
97.06525	24.7
97.10161	8.4
99.08073	9.2
101.05994	2.4
102.05544	3.0
105.00087	8.7
105.07016	27.5
107.08605	12.5
109.02924	1.2
109.06495	2.8
109.10159	8.4
111.02674	1.7
111.08101	6.9
111.08774	1.2
113.09628	3.3
114.03748	4.8
115.07565	2.9
117.06976	2.0
119.08574	43.8
120.08087	2.0
121.10120	12.7
122.02711	21.9
123.08086	6.6
125.07137	1.8
125.36454	1.4
127.07586	1.7
130.05003	17.4
133.10120	33.0
135.11685	19.1
137.09567	3.0
137.13234	15.6
141.09149	2.2
142.03209	21.3
149.13234	4.0
153.01781	1.8
154.04979	1.6
160.39548	1.1
161.13243	100.0
162.13571	3.3
165.01768	1.3
167.14348	1.5
168.29462	1.5
171.07684	2.4
179.14293	82.8
180.14552	1.9
185.15408	2.5
188.03749	16.8
196.73302	1.3
197.15347	81.4
198.15660	2.6
215.16391	19.1
217.08148	2.4
229.12611	5.6
237.13091	1.9
251.06998	2.5
255.14145	5.6
257.04349	2.2
272.16916	2.3
273.15121	20.6
300.16306	2.5
301.14792	4.8
303.04950	33.6
318.17352	5.6
319.15698	52.2
336.18344	71.8
337.18643	2.2
384.18607	3.0
401.21417	1.6
402.19431	4.2
447.21469	10.5
448.20038	2.9
465.16034	2.7
465.22604	55.8
466.23068	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	466.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50467	1.6
53.03936	9.2
53.16755	1.9
55.01865	11.6
56.96560	9.7
57.03426	5.0
60.99150	1.7
61.02927	6.2
67.92839	1.7
68.99767	3.8
69.03426	38.7
70.06586	4.3
70.98037	2.7
71.01344	2.0
71.04993	5.5
73.02900	9.7
79.05504	4.7
81.03416	32.5
81.07059	9.8
83.01322	3.0
85.02901	100.0
85.26302	1.5
87.00826	45.2
91.05499	4.3
95.04967	19.9
97.02893	61.5
98.97613	2.3
99.04465	20.6
105.01149	3.4
105.01862	63.1
108.01539	1.8
109.02874	40.1
109.06521	15.9
110.97590	4.2
115.03898	1.8
117.01869	2.9
117.03324	2.0
119.04955	4.8
123.04401	1.8
127.03912	95.7
128.98581	2.7
129.01830	5.9
137.05977	32.1
145.02831	5.1
145.04944	54.8
145.42760	1.7
147.02882	3.6
147.04431	7.6
149.05885	1.9
155.07040	2.7
156.98099	2.2
159.02876	25.6
165.05449	25.1
173.04408	3.7
174.99202	2.6
177.04034	2.7
177.05475	6.5
183.06519	29.7
189.03990	2.4
193.01750	2.7
213.03941	4.7
221.01135	2.1
225.04355	4.8
231.04997	24.6
249.06091	6.9
250.01544	4.1
251.02313	3.2
269.03290	16.4
283.04883	2.6
287.04440	18.6
311.04489	3.5
321.03214	1.8
339.03918	2.2
413.10739	2.1
425.03885	3.7
443.04971	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	466.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.0
55.01877	10.2
57.03437	4.6
61.02924	7.7
68.99796	3.1
69.03433	34.6
69.50245	7.2
71.05001	7.1
73.02921	11.9
76.52070	1.5
79.05486	3.1
81.03418	35.4
81.07066	9.0
85.02905	100.0
87.00832	48.7
87.04433	1.6
91.05478	4.6
95.04969	15.1
95.71275	1.5
97.02894	55.6
98.23401	2.1
98.41206	1.4
99.04449	17.0
105.01868	49.8
109.02879	37.6
109.06518	16.6
111.04373	1.6
113.02290	1.4
115.03942	2.0
117.01849	5.7
119.04951	4.3
127.03915	81.4
128.04228	1.6
129.01871	3.8
137.05969	26.9
145.04971	44.5
147.02917	4.2
147.04396	6.3
149.05939	2.0
151.03899	9.1
155.07016	4.3
159.02881	20.7
160.34740	1.4
165.05466	22.1
168.01720	1.4
173.04539	2.0
177.05414	2.4
183.06543	27.1
208.29160	1.7
213.03906	4.3
231.05002	21.2
249.05995	3.1
302.47342	1.7
306.66382	1.6
410.87912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
64.67280	0.5
69.03416	1.3
70.63515	0.8
70.63868	0.7
71.04988	6.8
79.92340	0.5
81.03394	1.9
83.13132	0.5
97.02901	1.2
99.04447	11.6
100.72875	0.6
102.10374	0.7
109.02872	100.0
110.03208	2.2
127.03915	4.3
128.06209	0.9
149.02345	1.9
159.08026	1.1
173.05966	1.8
187.11317	0.6
193.04936	1.5
201.05453	0.9
214.19302	0.6
215.06886	0.8
217.10095	1.3
220.08871	2.0
232.08823	1.1
233.08061	5.6
235.11211	1.5
237.07687	1.1
247.11211	0.7
248.08353	2.6
256.26355	1.3
265.12375	0.7
269.09476	1.0
273.09039	0.5
285.09018	0.6
291.10135	41.7
292.10562	1.5
301.08926	0.5
323.12784	1.3
328.10724	0.6
329.08081	0.6
343.13184	1.7
361.14511	0.9
371.12894	2.3
373.10556	0.6
389.13745	1.5
399.12158	7.5
417.13336	1.5
443.52032	0.6
466.31476	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	466.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	2.0
57.03429	1.2
61.02911	1.2
65.03928	0.9
67.05499	8.3
69.03424	9.2
70.70830	1.5
70.71169	0.9
71.04988	1.7
72.87874	1.0
73.02916	1.6
79.05481	1.1
81.03419	6.4
81.07050	2.7
85.02905	13.1
87.00833	6.2
91.05473	1.7
93.07059	2.0
95.04961	2.3
95.08608	8.8
97.02895	11.9
99.04453	3.3
105.01861	6.7
105.07046	1.8
107.08587	2.0
109.02889	6.7
109.06522	2.8
109.10147	14.5
110.20663	0.7
111.04433	1.0
112.99143	0.8
112.99936	0.8
117.01856	0.9
117.07090	0.8
118.84579	0.8
119.08571	7.2
123.08064	21.9
125.05923	0.9
127.03908	11.4
128.38785	0.8
129.06918	0.9
137.09607	25.4
145.04941	6.1
147.08049	7.3
159.02910	2.5
162.51431	0.8
163.07486	1.2
164.10645	1.6
165.09109	100.0
166.09470	3.2
181.05003	1.4
182.11923	1.0
183.10150	20.0
188.37860	0.8
224.95654	0.8
231.04979	3.1
249.06064	1.0
303.04944	1.9
304.05487	3.9
328.36688	0.8
346.00375	0.8
364.57733	0.9
413.14432	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	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.5
68.05025	1.7
69.03420	11.9
70.06610	2.9
77.62308	1.7
78.06117	1.8
84.08142	3.3
85.02901	3.4
86.06065	23.3
87.04465	61.5
97.02927	2.2
98.22712	5.2
104.07100	100.0
105.01837	2.0
105.07383	2.4
120.08062	1.8
129.10153	1.9
174.33386	1.7
184.07300	1.7
298.71921	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24217	1.6
50.31815	1.6
53.03945	4.2
54.25270	1.8
55.01863	6.8
55.05510	5.6
57.03433	6.2
60.58754	1.7
61.02916	5.5
67.05507	11.8
68.99776	2.4
69.03425	30.8
69.07063	6.6
69.19694	4.3
69.20099	8.1
70.06593	2.8
71.04986	6.7
73.02913	4.8
79.05504	7.0
81.03418	24.1
81.07052	44.4
83.04967	6.2
83.08630	3.1
85.02901	70.8
85.06543	3.4
87.00824	35.0
91.03917	2.0
91.05470	13.0
93.07043	7.7
94.91598	1.6
95.04958	2.1
95.08628	9.1
97.02892	23.5
99.04451	12.6
99.08080	2.0
105.01865	33.9
105.07014	27.6
107.08576	12.5
107.76195	1.7
108.04426	2.0
109.02881	26.5
109.06498	3.9
116.62341	1.8
119.08574	17.7
121.10136	20.3
123.08042	2.1
123.11693	35.1
127.03909	45.8
127.04855	2.2
127.07572	2.7
129.01842	2.0
134.05951	1.9
135.41193	1.6
137.13226	2.7
141.09084	1.9
145.04942	15.6
147.11678	71.9
148.12054	3.1
149.09518	1.7
159.02921	6.4
159.07991	2.4
159.68924	1.6
165.12749	100.0
166.13068	3.6
182.15558	1.6
183.13783	37.5
193.96553	1.7
200.78484	1.7
201.14862	19.3
213.03964	3.6
218.11774	5.6
222.65883	1.8
227.10725	2.7
231.05011	11.9
245.11786	3.1
249.06117	4.3
465.33099	4.8
466.18158	3.0
466.33093	4.3
467.17087	13.9
473.32077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2437
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
52.55209	0.5
55.05502	1.0
57.62484	0.5
60.04528	3.6
66.20309	0.5
67.05502	1.0
68.05035	1.4
69.03419	4.1
69.07069	1.1
69.14479	4.0
70.06591	8.2
71.04993	1.0
72.04515	8.4
80.05003	0.9
81.03419	0.8
81.07049	2.0
82.06581	7.2
83.04974	0.6
84.04472	0.8
85.02905	1.4
86.06068	2.7
86.09724	1.5
87.04469	19.4
90.52992	0.5
91.05469	0.9
93.07049	1.6
95.08592	1.0
97.02921	0.9
98.06053	20.3
98.59904	0.6
99.06853	0.8
100.07610	3.4
104.07137	1.0
105.07036	2.2
107.00236	0.5
107.08553	1.4
109.02895	0.9
109.10139	1.3
111.04437	0.7
112.07574	0.6
116.07101	5.2
117.06987	0.9
119.08572	2.2
121.06519	0.9
121.10155	1.8
123.08064	0.8
124.03945	1.2
126.05511	31.8
127.06306	3.8
128.07077	16.2
132.42393	0.6
133.10129	1.9
135.08049	2.0
138.05539	0.6
140.07040	1.2
143.08556	0.9
144.06554	16.8
144.07683	0.9
145.07367	7.9
145.10094	1.9
146.08115	10.2
147.08098	0.8
147.11676	1.0
149.09665	0.9
151.11127	1.2
156.09377	0.6
157.10130	1.3
158.08173	0.7
159.11685	1.7
161.09624	2.2
163.07491	1.1
171.11731	1.7
171.13867	0.7
173.09634	1.4
173.13190	0.8
175.11232	1.8
179.10669	0.7
180.06602	1.1
183.11696	0.7
184.07358	2.4
185.13277	0.9
186.07510	0.8
187.11156	1.8
189.12694	1.5
191.14291	0.7
194.08215	0.6
195.11615	0.8
197.09674	0.6
197.13177	1.0
198.07666	0.6
201.12703	1.1
203.10863	0.7
206.99226	0.5
213.12817	0.9
217.12247	0.8
225.12862	0.6
229.15918	0.9
257.15439	0.8
261.15076	0.7
270.94510	0.7
285.14948	1.0
303.04980	2.4
303.15698	1.4
304.05273	5.9
321.16937	0.7
402.09692	0.6
420.23926	0.8
448.23431	1.4
466.24350	100.0
467.11484	1.2
467.24768	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69972	0.6
53.03946	1.9
55.05503	1.5
57.03429	5.7
57.07059	1.9
61.02920	2.4
62.37400	0.5
65.01196	0.6
67.05499	4.8
69.03426	7.6
69.07062	4.2
71.04992	0.7
73.02910	11.1
79.05485	8.9
81.03439	0.9
81.07049	100.0
82.07413	1.0
85.02895	13.0
91.05473	1.3
93.07043	2.8
93.42127	0.5
95.08601	17.5
97.02887	13.0
101.02380	2.2
107.08598	2.8
109.02843	2.9
109.10121	0.7
115.03919	10.2
117.07023	0.8
119.03398	5.4
123.11675	1.5
127.03912	6.0
131.08501	0.8
133.04976	3.2
135.08076	1.5
137.13243	22.4
145.04930	5.0
149.13237	0.9
150.07584	0.9
159.11684	0.9
163.06029	4.0
163.07542	6.4
177.12761	1.4
187.13260	0.8
191.10510	0.6
223.06076	1.7
227.10678	0.8
241.07014	1.7
245.11766	1.9
259.08200	2.4
269.17465	6.6
284.70151	0.9
295.10236	1.6
395.88748	0.6
431.18805	0.7
438.94415	0.7
466.22775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67035	0.9
53.03950	1.4
53.31836	1.1
55.05509	4.7
55.44111	0.9
57.03435	5.3
61.02910	2.8
67.05160	1.6
67.05499	22.5
69.03410	1.3
69.07069	7.4
69.28976	5.6
71.04980	2.1
79.05492	9.2
81.06571	1.9
81.07048	28.9
83.04977	1.8
83.08611	4.6
85.02895	2.9
91.05479	5.9
93.07038	21.1
95.04939	2.0
95.08591	8.3
97.02855	1.6
97.06516	4.6
99.08086	1.1
105.07019	1.4
107.08595	9.2
109.06494	1.3
111.08068	3.7
117.07015	3.3
119.08543	1.2
121.06468	1.0
121.10103	8.2
123.11705	1.4
127.03928	1.3
131.08563	3.1
133.10120	3.5
134.74763	1.0
135.11674	4.0
136.68748	1.0
139.11179	1.4
147.11673	1.2
149.13246	17.0
159.11700	6.3
177.12790	7.0
185.79971	1.2
191.93684	1.0
195.13780	6.9
269.17456	100.0
270.17819	3.4
317.52966	1.2
318.54422	1.1
333.20544	1.1
448.23566	1.3
466.18631	1.3
467.22415	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	466.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.9
57.03452	7.8
59.68287	7.6
67.05504	24.3
70.06622	8.3
70.57191	13.1
70.57559	7.7
71.04968	8.9
81.03426	56.5
81.07049	14.8
90.33683	6.6
91.05476	10.3
95.04979	100.0
95.08617	10.0
105.07049	12.4
107.08621	20.8
109.02866	80.4
109.06532	17.3
119.08597	25.0
121.06534	13.8
121.10146	33.9
123.04448	31.5
123.08080	11.5
131.08522	10.9
133.10123	19.5
135.08026	10.5
135.11723	15.1
135.98877	7.4
145.06549	10.3
145.10109	18.7
147.08052	11.3
147.11722	8.4
149.02348	16.0
157.08437	6.6
157.10085	17.0
159.11771	10.9
159.96544	7.4
161.09656	11.7
163.11200	59.0
171.11711	19.3
174.26245	7.5
175.14845	29.2
177.12714	10.7
182.73233	7.0
193.04980	13.4
193.15974	27.2
197.13300	29.8
203.14383	22.5
211.14836	9.4
237.07607	15.3
241.15770	9.9
256.26447	9.1
259.16663	9.5
263.16498	14.5
269.18951	17.3
273.18613	9.8
279.17584	9.6
291.10132	26.8
297.18524	68.8
315.19507	60.9
357.20557	21.6
407.20984	8.6
466.31577	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	466.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34606	4.3
53.03944	5.2
55.05510	13.2
57.03448	9.4
57.07064	5.1
58.60144	4.5
61.92804	4.0
65.03925	5.4
66.10364	5.1
67.05500	25.2
69.07045	5.6
69.39445	24.8
70.06605	16.0
71.05001	14.3
71.08648	4.9
80.12067	5.0
81.03417	58.8
81.07054	9.4
83.04981	45.6
88.07629	10.6
91.05473	5.5
93.07072	12.8
95.04966	98.6
95.08629	16.5
99.04456	9.2
102.09152	5.2
105.07061	12.9
107.08611	19.3
109.06497	23.2
109.10146	11.7
117.06980	5.7
119.08591	30.8
121.06519	20.9
121.10150	47.0
123.04375	23.6
123.08101	19.6
123.11721	13.6
131.08539	11.2
133.10118	12.5
134.78355	4.5
135.08107	5.9
135.11702	20.7
137.09625	6.2
143.08578	8.6
145.06500	20.3
145.10146	20.4
147.08023	7.5
147.11769	6.6
149.02353	47.7
149.05997	5.1
149.09625	8.7
151.07518	7.5
157.10184	7.4
159.08151	5.9
159.11708	19.9
161.05995	15.1
161.09618	6.4
163.11197	52.8
165.09232	4.7
169.10080	5.5
171.11620	11.8
173.09589	6.2
173.13284	7.4
175.11281	6.4
175.14754	31.2
177.09108	7.7
177.12794	5.7
177.26059	4.7
185.13188	7.0
187.11099	5.3
189.12762	7.7
191.14243	6.4
193.04929	45.7
193.15869	66.7
197.13203	23.6
199.14879	6.3
203.14360	17.1
213.12727	6.5
223.14836	8.4
229.15695	5.9
237.07646	27.7
239.14310	5.7
241.15834	10.5
242.19592	4.7
251.18088	5.3
256.26309	27.2
259.16986	6.2
263.16409	9.9
265.56516	5.3
269.19089	17.0
273.18649	5.7
279.17468	16.8
287.19922	5.6
297.18481	92.6
298.18869	5.5
315.15976	6.5
315.19547	100.0
357.20596	15.7
375.21561	19.3
388.50381	5.6
417.22528	5.7
466.31729	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.8
57.07079	91.4
67.05479	22.4
71.08625	70.7
71.14603	23.9
74.05986	16.3
81.07046	19.8
85.10176	32.9
87.72847	19.9
89.06030	100.0
95.08595	24.4
98.98479	26.5
113.00004	20.2
133.08580	41.8
155.01041	31.4
169.02530	23.1
196.84721	17.7
313.27368	59.0
381.09155	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	467.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	1.2
56.96559	19.0
65.71653	0.8
69.09904	1.9
69.10307	3.5
74.22649	0.8
74.97597	1.1
84.96033	9.4
97.96818	0.9
98.23515	1.6
98.97579	85.3
110.97567	20.2
112.35420	0.8
112.99144	2.2
116.98617	26.2
120.54443	0.8
124.99118	3.0
126.97077	1.1
128.98604	15.8
131.00133	2.2
134.99684	3.8
140.98589	7.2
143.00146	12.5
143.29619	0.8
144.98055	5.2
146.99644	6.0
147.00656	0.9
149.01143	0.9
152.98592	11.4
155.00172	2.8
158.99644	15.5
161.01225	7.4
162.99149	2.2
170.99661	12.3
173.01186	1.9
173.04788	1.6
177.00728	9.6
182.99684	0.9
189.00714	5.2
191.05904	1.8
195.01682	1.0
201.00685	4.0
215.05898	1.5
219.01761	26.8
227.05966	1.1
233.06975	1.4
237.02802	38.2
255.03885	2.3
275.07999	16.0
293.09055	100.0
294.09387	2.7
311.10110	10.0
316.10635	2.1
335.10437	1.7
347.10272	3.8
349.11380	1.2
395.51852	0.9
407.12228	54.3
408.12335	2.3
425.13306	33.3
426.13812	1.7
448.15085	0.9
467.14413	17.9
475.15158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.189
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
61.51839	0.5
63.45712	0.5
69.48059	2.5
70.06588	33.1
80.77820	0.6
81.03371	0.5
86.09650	0.6
120.08075	0.5
123.04349	0.6
128.88841	0.5
137.02325	0.7
145.02908	0.7
147.67209	0.7
163.03844	1.1
185.04210	2.5
218.80524	0.5
287.12534	9.3
303.04944	2.1
304.05209	1.8
305.05960	3.8
305.13562	71.1
306.13892	2.5
467.18845	100.0
468.19196	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	467.225
Annotation	Arg Glu Tyr
Peak:m/z	Relative Intensity
55.37783	0.4
58.28746	0.5
62.36858	0.5
62.98257	1.0
66.18679	0.5
69.77229	1.6
70.06547	0.5
70.55750	0.4
74.94716	0.4
81.07066	0.6
83.04980	0.7
85.02884	0.5
105.07018	0.5
127.20950	0.5
157.01083	3.9
166.66327	0.5
235.13051	0.6
257.36273	0.6
268.14142	0.5
315.19284	1.4
333.20306	13.3
334.20770	0.9
351.14709	4.0
351.21371	22.6
352.21964	1.0
431.20636	0.5
449.21442	4.5
450.00128	0.5
467.17505	3.8
467.22507	100.0
468.22839	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	467.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37783	0.4
58.28746	0.5
62.36858	0.5
62.98257	1.0
66.18679	0.5
69.77229	1.6
70.06547	0.5
70.55750	0.4
74.94716	0.4
81.07066	0.6
83.04980	0.7
85.02884	0.5
105.07018	0.5
127.20950	0.5
157.01083	3.9
166.66327	0.5
235.13051	0.6
257.36273	0.6
268.14142	0.5
315.19284	1.4
333.20306	13.3
334.20770	0.9
351.14709	4.0
351.21371	22.6
352.21964	1.0
431.20636	0.5
449.21442	4.5
450.00128	0.5
467.17505	3.8
467.22507	100.0
468.22839	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01878	10.7
55.05514	10.6
57.03432	6.7
60.79854	1.6
61.02911	7.8
62.43212	1.7
64.96819	1.7
65.03918	3.3
67.01889	1.8
67.05499	18.3
68.99799	9.3
69.03429	22.4
69.07071	10.7
70.65897	3.0
71.01362	4.6
71.04972	3.5
72.24694	1.6
73.02914	3.3
75.28109	1.6
79.05484	17.5
81.03424	15.6
81.07057	40.4
83.04971	6.0
83.08617	5.3
85.02908	47.1
85.06522	2.6
87.00829	18.1
91.05475	21.1
93.07042	33.5
95.01319	5.2
95.04971	24.9
95.08604	48.7
97.02894	18.0
97.06531	20.9
99.04450	7.1
103.03924	5.9
103.05467	3.7
105.01848	7.1
105.07027	75.4
106.07343	2.2
107.04970	8.5
107.08591	44.9
109.02867	6.9
109.06519	21.7
109.10154	9.9
111.04454	14.7
113.02354	2.4
113.06022	2.6
115.03949	8.7
115.05440	3.6
117.01837	1.8
117.07017	10.1
119.04964	2.3
119.08575	100.0
119.63982	1.7
120.08888	1.9
121.06501	8.6
121.10188	12.0
123.04427	29.7
123.08054	10.1
125.05981	15.6
127.03914	7.8
128.06206	3.4
129.01849	7.9
129.05487	2.0
129.07025	8.1
130.07808	3.0
131.08557	18.2
133.06477	16.2
133.10121	25.8
135.08066	6.0
135.11678	7.0
137.09686	3.2
139.03957	1.8
141.05493	4.3
141.06978	2.7
142.07784	7.5
143.08548	19.0
145.04941	2.7
145.06490	3.5
145.10110	37.4
147.02890	8.3
147.08035	6.8
147.11710	10.9
149.06006	3.6
149.09615	2.7
149.13245	2.4
151.03899	1.9
151.07535	84.7
155.08563	10.6
156.09381	3.1
157.06407	1.8
157.10115	30.2
159.02896	4.7
159.08040	4.3
159.11679	23.2
161.05960	2.7
161.09619	6.5
161.13219	4.5
163.11165	3.7
165.06955	2.8
167.07088	2.4
167.08542	3.6
168.09331	2.8
169.04997	3.3
169.08614	5.3
169.10139	15.4
170.10812	1.9
171.08073	3.4
171.11650	7.5
173.09615	6.3
173.13240	4.3
175.11212	4.8
175.14827	49.9
176.15149	1.9
177.12767	9.1
181.10057	8.6
182.10854	2.9
183.11717	11.5
185.08109	1.8
185.09541	4.1
185.13240	9.5
187.07529	2.1
187.11215	3.5
187.14807	21.4
189.03932	4.9
191.17902	3.9
193.10149	5.2
195.11607	6.6
196.12428	3.8
197.09608	4.4
197.13254	6.3
199.11234	2.3
199.14792	7.5
201.16374	6.8
203.10860	1.8
203.14287	28.2
205.15919	2.6
207.11667	3.2
208.12395	3.3
209.01556	1.8
209.13220	1.9
211.11147	6.2
211.14832	14.0
213.12782	3.9
213.16353	23.3
215.17964	5.7
217.15909	6.5
219.11819	1.9
219.17513	3.7
221.13287	3.3
223.14841	7.8
225.12767	2.6
225.16296	11.3
227.14275	6.0
227.17804	2.4
229.15874	6.6
231.13705	3.6
231.17392	6.3
235.11099	2.8
235.44185	1.9
237.16367	5.3
239.14287	2.1
239.17955	2.4
241.15805	11.5
243.13741	2.2
243.17502	11.1
253.15965	3.8
255.08492	2.3
255.17477	8.8
259.16888	6.0
263.17941	2.8
267.17386	9.5
271.08023	3.3
273.18497	4.9
279.17447	2.7
281.18970	5.8
285.18478	15.7
291.17429	16.6
309.18475	49.7
310.18713	3.4
327.19565	37.8
345.20694	3.5
363.21750	2.4
375.42120	1.9
387.21735	3.0
395.18661	2.6
405.22708	3.4
413.19479	17.9
431.20572	33.3
449.21628	15.4
467.22556	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.8
57.03434	11.1
57.07076	38.3
57.37841	1.2
67.05499	10.0
69.07069	6.9
69.37187	5.0
71.08633	23.4
75.10822	1.3
81.07055	12.6
83.08628	7.2
83.46578	1.1
85.10186	12.1
89.38772	1.0
95.08599	18.1
97.10175	3.6
98.98464	52.1
109.10163	9.7
111.11718	2.0
116.99466	1.6
123.11732	3.1
136.99982	6.0
155.01033	50.1
155.02289	2.5
192.87233	1.3
211.03671	1.5
229.04726	2.9
239.23674	6.4
283.89325	1.2
313.27344	100.0
314.27780	4.8
393.23895	1.5
449.26614	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	468.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80391	3.0
79.05479	5.9
81.07054	21.2
85.06562	4.4
93.07030	4.7
95.08604	4.2
96.78997	3.2
98.22701	8.8
105.07022	4.0
107.08611	8.2
107.39264	3.3
109.06519	18.7
109.10189	6.2
119.08575	6.5
121.10152	6.6
123.08032	4.2
127.07564	5.6
133.10080	7.3
135.08086	3.9
135.11723	6.0
145.10129	3.7
149.71606	3.5
151.11244	5.3
153.12788	3.4
171.73511	3.4
173.13284	8.9
173.49658	3.7
179.10710	3.6
180.30692	3.6
187.11240	5.9
189.12794	4.1
191.14320	25.0
209.15411	6.4
215.14296	9.4
221.28455	3.7
271.17010	4.4
271.20511	5.3
279.24338	3.3
299.20056	11.7
317.21173	11.6
326.29492	3.5
349.46271	4.0
359.22116	10.3
368.02737	3.5
377.23218	100.0
468.29385	40.8
470.18137	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	469.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	0.7
64.72466	0.6
69.74478	1.4
69.74863	1.4
78.04692	0.7
79.15314	0.6
89.03911	15.1
101.00866	1.4
105.78506	0.6
106.04151	0.7
110.07214	0.6
117.03371	33.7
118.03688	0.9
119.01917	4.9
126.32043	0.6
134.03612	2.1
135.04393	1.6
143.01904	2.3
145.02831	69.7
146.03191	2.0
149.05966	9.5
161.02939	5.3
163.03889	0.9
177.05449	100.0
178.05792	2.4
194.04208	0.9
199.98340	0.6
205.03427	1.7
207.05139	0.8
217.03381	3.3
220.02141	6.3
221.02850	4.5
223.04512	1.3
230.88031	0.7
234.03619	1.0
235.04482	19.9
238.03154	4.1
239.03856	1.3
244.02155	2.1
245.02916	1.3
253.05432	3.1
256.02087	1.7
259.04471	15.6
260.04709	0.9
260.99792	1.4
262.03162	5.3
263.03979	2.4
271.04230	3.4
271.06952	1.1
273.02411	1.6
277.05545	11.0
279.00775	1.8
283.00018	1.3
284.99759	3.6
287.03995	2.1
289.05731	1.6
291.03561	3.4
291.06635	0.8
293.03656	3.3
295.06570	9.8
296.06598	0.8
299.03946	3.5
301.01025	1.9
302.01004	0.9
303.00836	4.4
303.07153	1.1
304.00806	0.7
305.05179	1.6
309.08157	0.8
313.07608	2.2
317.04987	3.5
335.06018	1.1
337.07730	0.8
345.04501	1.3
353.06989	0.9
373.04050	8.1
381.06512	1.1
391.05072	24.4
392.05203	2.1
409.05981	3.7
427.00943	2.6
427.07123	4.5
445.02011	7.7
446.02173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.1
67.59849	0.7
69.03424	0.8
70.06588	1.9
71.42745	0.6
85.02912	0.9
86.09727	0.7
97.02861	0.6
116.74551	0.7
128.07074	0.6
158.99713	0.6
171.11235	0.7
181.04892	3.3
181.08609	0.9
203.06763	5.6
205.04752	0.7
220.07042	7.7
221.07854	8.6
227.05273	2.2
271.04242	3.1
276.06918	0.6
307.13190	0.9
333.34952	0.6
365.11676	0.8
383.13019	4.0
407.12924	1.5
425.14145	31.3
426.14383	1.1
451.12143	1.9
469.13144	100.0
470.13449	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	469.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.03440	0.9
67.05506	2.8
69.03427	4.9
69.07050	2.2
69.84143	1.3
77.03922	0.7
79.05482	4.7
79.71371	0.6
81.07043	6.2
83.04970	2.4
83.08585	0.7
85.02909	0.9
91.05470	6.6
93.07028	3.6
95.04971	1.4
95.08588	1.8
97.02897	3.1
105.07024	8.3
107.04932	2.8
107.08585	15.4
109.06509	2.5
109.10155	6.4
115.05462	1.5
117.06995	1.2
119.03431	1.3
119.08564	4.7
121.06497	2.6
121.10131	12.5
122.07259	5.6
123.08057	1.1
131.08551	2.1
133.10120	100.0
134.10431	2.6
135.08051	5.7
135.11693	0.9
137.09605	53.1
138.09979	1.0
143.08516	0.9
144.10252	1.0
145.10100	1.8
147.11700	3.2
149.05951	3.5
149.09613	0.8
149.13237	7.8
157.10065	0.9
158.10939	1.6
159.08186	0.6
163.14816	1.7
173.13243	5.8
175.22383	0.6
191.14290	30.5
192.14688	1.2
206.71986	0.6
209.15367	1.1
216.97876	0.6
233.26971	0.6
238.79022	0.5
243.05182	0.5
269.15298	0.6
276.99741	0.6
287.16418	1.6
324.33939	0.7
422.50031	0.5
469.24191	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	469.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05498	2.1
57.03430	0.9
60.05647	1.1
67.05497	2.5
69.03429	1.8
69.07063	16.0
70.61657	1.5
73.57109	0.8
79.05488	3.6
81.04688	0.9
81.07043	2.7
83.04977	1.9
85.02872	2.2
88.57725	0.9
91.05478	6.8
93.07042	16.1
95.04944	2.0
95.08598	3.3
97.02884	1.3
97.06518	2.6
101.02363	1.2
105.04491	0.9
105.07033	5.8
107.08585	12.9
109.10148	3.1
114.85804	0.8
117.07024	1.7
119.03432	1.8
119.08566	5.2
121.06490	18.8
121.10135	11.4
122.97880	0.9
123.08014	2.2
131.08545	4.0
133.10107	7.0
135.08015	7.8
135.11649	3.3
137.09552	1.1
143.08560	1.4
145.10086	2.3
145.48474	0.8
147.11678	39.3
147.12865	2.0
148.12033	0.9
149.06018	1.1
149.09612	3.7
149.13252	7.6
158.10883	1.8
161.09616	6.3
163.11174	2.7
163.14844	1.6
173.13214	7.4
176.11964	1.2
177.12766	1.0
177.51048	0.9
179.93816	0.9
191.14287	100.0
192.14626	4.0
198.16368	0.8
203.18027	0.8
282.70364	0.9
353.22885	1.5
469.17978	1.3
469.24539	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	469.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40730	0.6
55.05507	2.8
57.03426	1.0
67.05498	8.6
69.07063	2.3
69.71112	1.7
69.71490	1.2
71.99696	0.7
74.83601	0.7
74.88700	0.7
79.05477	4.1
81.07044	6.6
83.04987	1.4
91.05471	2.2
92.98942	0.6
93.07041	5.1
95.04949	0.7
95.08598	4.2
98.23399	0.9
105.07027	2.0
107.08585	3.4
109.10153	2.0
119.08581	1.5
121.10145	1.0
131.08545	0.9
133.10118	1.4
134.98170	26.5
135.11685	1.2
165.21336	0.6
173.92706	0.7
176.99229	1.5
209.01869	4.2
227.01674	1.0
335.25757	6.3
339.42575	0.7
357.24069	3.0
375.25085	5.4
435.87952	0.7
437.20789	3.5
451.22021	4.4
469.23227	100.0
470.23456	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	469.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
67.05502	10.9
69.07063	3.6
69.52843	4.1
69.53255	2.1
70.08952	1.1
79.05494	6.0
81.07051	6.6
89.06020	2.0
91.05506	4.0
93.07038	8.1
95.08602	9.0
98.23473	2.8
105.07051	3.1
107.08596	2.8
119.08598	2.2
121.10168	2.1
123.74863	1.3
134.98184	24.9
134.99216	1.3
142.55890	1.4
149.13283	1.3
209.01953	3.5
315.27881	2.6
316.28021	1.4
335.25854	8.4
357.24072	3.5
375.25043	5.2
414.64853	1.2
437.20471	2.5
451.22171	2.9
469.23264	100.0
470.23621	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01869	13.1
55.05513	13.8
57.03430	4.8
57.07063	5.1
61.02933	5.1
65.64532	2.5
67.05498	35.3
69.03422	25.1
69.07072	16.5
69.21546	6.3
69.21951	10.8
70.06588	13.5
71.04996	6.8
72.08147	4.1
73.02902	4.6
79.05483	24.4
81.03405	23.7
81.07051	50.2
83.04974	18.7
83.08627	9.1
85.02895	41.7
85.06543	6.4
86.09712	5.3
87.00819	19.3
91.05471	53.0
93.07040	100.0
94.07346	2.7
95.04966	21.2
95.08594	45.8
97.02888	18.3
97.06537	6.4
99.04466	6.6
103.03939	5.5
103.05437	2.9
105.01874	9.4
105.04503	8.8
105.07014	52.8
107.08588	46.8
109.02879	14.3
109.06516	12.2
109.10145	43.3
110.73626	2.8
111.04430	5.3
111.08085	27.7
115.03933	6.2
115.05499	3.3
117.07015	5.8
119.08568	40.0
121.06511	5.9
121.10139	32.0
123.04430	3.4
123.08069	8.3
123.11726	11.5
125.09623	9.2
127.03918	18.7
129.01810	5.6
129.07066	4.1
131.08540	16.7
133.10115	37.8
135.08076	5.5
135.11691	18.7
137.09589	13.2
142.07828	3.9
143.08585	8.5
145.04941	6.0
145.10118	20.2
147.02927	4.0
147.07986	3.8
147.11673	48.3
149.06020	2.8
149.09554	4.3
149.13271	9.0
151.11143	7.3
153.09094	4.1
155.08493	7.6
157.10085	10.5
159.02885	6.8
159.11681	13.0
161.09529	6.0
161.13234	12.9
163.11156	6.2
163.14890	2.9
165.12730	6.6
169.10191	4.6
171.11705	8.9
173.09669	3.4
173.13248	11.7
175.11180	5.5
175.14851	4.4
177.12756	3.6
183.11662	4.6
185.13306	3.8
187.11174	5.8
187.14783	5.1
191.14342	9.9
199.14894	3.7
201.16353	10.3
203.17931	30.2
213.16441	3.5
215.17987	5.4
219.05031	3.0
219.17480	6.3
221.18999	7.6
225.16273	3.8
227.17821	5.0
231.05095	2.8
243.17549	5.0
245.18945	5.8
311.20047	8.8
329.21133	6.2
335.21603	4.9
353.22678	3.7
365.23288	3.2
373.43585	3.0
415.21152	3.6
433.22037	5.0
451.23315	6.8
469.18561	3.1
469.24127	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
55.01871	23.9
55.05507	26.9
56.39602	5.1
57.03429	14.6
57.07067	6.3
61.02929	11.4
67.05495	39.7
68.99778	19.7
69.03425	63.0
69.07073	26.5
69.59599	21.1
71.04995	55.3
73.02902	10.7
75.62842	6.0
77.03954	4.7
79.05484	36.3
81.03419	54.8
81.07059	91.9
83.04975	10.0
83.08637	9.9
85.02914	86.1
87.00839	33.6
91.05489	46.7
93.07041	75.9
95.04991	31.3
95.08624	57.3
97.02887	43.2
97.06528	15.3
98.22758	10.5
99.04439	12.3
103.03958	7.6
104.79112	4.6
105.01885	15.7
105.07029	100.0
107.04951	12.1
107.08607	71.0
109.02878	17.8
109.06517	15.5
109.10156	63.1
111.04430	17.3
111.08056	7.6
113.09648	5.3
113.52750	5.3
115.03964	9.8
117.07020	23.5
119.08588	81.1
121.06488	13.4
121.10134	71.4
123.04411	23.2
123.08068	20.1
123.11700	28.4
125.09623	21.4
127.03894	25.6
127.11198	31.8
128.06163	11.1
129.01813	12.3
129.07022	19.3
130.07762	5.2
131.08559	33.0
133.06480	11.9
133.10126	64.5
135.04436	9.0
135.08067	15.0
135.11705	38.6
137.05930	9.5
137.09674	10.7
137.13263	12.5
141.05452	6.2
141.07030	5.6
142.07814	13.3
143.08571	28.4
145.04935	6.2
145.10141	54.5
147.02852	9.3
147.08044	13.1
147.11662	56.1
149.09622	7.8
149.13237	23.2
151.11200	11.4
153.12788	5.8
155.08522	12.6
156.09438	7.3
157.10152	46.9
159.02881	11.6
159.08110	9.7
159.11670	69.6
161.09544	12.5
161.13266	26.7
163.07587	8.0
163.11214	6.6
165.12779	7.1
167.08554	7.2
169.10152	12.9
171.08083	12.5
171.11688	21.3
173.09512	5.8
173.13274	17.4
175.11208	13.2
175.14819	16.1
177.12746	15.3
177.16341	8.7
180.09311	5.8
181.10068	6.5
183.11702	17.6
185.09682	7.5
185.13290	16.2
187.11119	7.7
187.14824	19.4
189.03955	12.1
189.09016	7.9
189.12811	10.1
189.16417	33.5
191.14308	12.5
195.11644	8.6
197.13274	12.1
199.14824	6.8
201.12714	13.8
201.16454	32.0
203.17953	17.9
209.13242	7.7
213.16360	6.6
215.17989	5.2
219.17319	5.8
223.14847	10.9
225.12726	27.6
227.17931	13.8
231.17490	9.5
233.18875	8.6
241.15906	11.5
243.13727	7.7
243.17450	10.5
245.19026	19.3
257.18967	6.7
263.19904	7.8
269.19022	6.3
293.18933	13.4
299.16776	5.6
305.20908	10.7
311.20078	24.1
329.20990	22.1
347.14551	5.6
347.22058	7.2
373.29080	5.4
415.21326	8.1
433.22110	11.5
442.99182	5.6
451.23325	22.6
469.24136	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	469.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02978	0.2
55.05502	0.3
58.06588	2.3
59.05036	0.1
60.34771	0.1
69.68484	0.3
69.68851	0.5
72.08150	2.0
75.08428	0.2
76.01349	0.2
79.05479	0.2
81.07034	0.2
84.08131	2.3
91.05489	0.2
95.04970	0.2
97.07644	1.0
98.09704	0.3
102.05487	0.3
105.06974	0.2
105.41973	0.2
114.10268	2.1
119.08542	0.2
139.07475	0.2
144.10184	100.0
145.10538	1.6
152.04649	0.3
157.10103	0.2
185.13228	0.2
191.07016	0.1
195.06506	6.1
304.04382	0.1
326.17072	7.2
327.17633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02984	0.2
56.96560	0.3
58.06589	1.9
69.18256	1.1
72.07790	0.2
72.08151	1.9
79.05459	0.2
81.03411	0.3
81.07048	0.2
84.08128	1.7
85.02881	0.2
86.04035	0.1
90.30260	0.1
95.08582	0.2
97.02872	0.2
97.07645	0.8
98.97552	0.2
102.05516	0.3
102.31532	0.2
105.07024	0.3
114.10268	1.6
117.06950	0.2
139.07481	0.2
144.10187	100.0
145.10527	1.5
167.07056	0.2
195.06512	5.6
215.07077	0.2
297.22333	0.1
326.17072	7.7
327.17514	0.2
356.30804	0.2
384.07239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.8
55.01858	2.8
55.05504	9.0
57.03427	4.8
61.02916	7.8
67.05498	1.1
69.03426	17.6
69.07062	58.2
70.30910	0.9
71.04981	2.5
73.02895	3.6
79.05489	1.0
81.03416	7.1
81.07052	2.1
85.02897	100.0
86.03253	1.1
87.04453	2.2
91.03946	3.5
91.05518	1.0
93.07040	0.9
97.02888	20.4
99.04449	4.3
103.03935	1.6
105.07034	1.2
109.02869	7.5
109.10183	1.0
111.11712	29.6
114.09209	1.0
115.03941	1.8
119.19689	0.8
121.06435	0.9
127.03905	27.2
145.04951	43.6
163.03867	2.6
163.06010	19.4
237.14769	1.5
255.15959	1.1
294.97195	0.9
365.43579	1.0
437.02670	1.0
439.67419	0.8
470.18243	5.3
471.17847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36928	0.6
64.77103	0.6
67.05943	0.6
69.69131	1.9
70.06591	1.2
74.62828	0.5
117.03371	0.9
145.02824	2.2
147.04379	1.5
149.05960	0.7
165.05440	0.5
175.45258	0.5
177.05443	3.7
185.04247	0.9
201.56078	0.6
203.05243	0.8
205.04759	1.2
223.05756	6.6
227.05281	0.7
243.43393	0.6
245.06331	4.5
271.04102	0.8
289.05255	2.4
329.08752	0.8
343.27481	0.7
374.50293	0.7
385.10983	12.3
409.11237	1.2
426.90106	0.7
427.12094	39.9
428.12479	2.3
471.11032	100.0
472.11469	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	471.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86476	0.3
56.03766	0.5
59.03729	1.0
63.02361	0.6
67.05499	1.1
69.03425	2.3
69.07059	0.4
69.37189	1.9
70.06585	0.9
70.72986	0.3
73.02880	0.4
73.04044	0.7
77.03893	0.4
77.55444	0.3
79.05502	1.9
81.03413	0.6
81.07037	0.7
84.05550	0.3
85.02886	1.4
85.06495	0.5
85.68027	0.3
86.09695	1.3
88.83793	0.3
89.03378	0.6
89.03914	8.2
91.05467	0.7
93.07021	0.6
95.04970	0.7
95.08622	2.6
97.02907	0.8
100.11263	0.8
101.05880	37.3
102.06628	0.3
105.07004	0.8
107.04963	1.6
107.08591	0.7
115.03935	0.3
115.18135	0.4
117.02560	0.7
117.03369	9.7
117.04198	0.5
119.08553	1.0
121.06495	0.5
121.10143	0.6
123.08061	0.7
127.03909	1.4
133.10091	0.7
135.04408	17.4
135.11674	1.3
136.04788	0.4
143.11104	0.3
145.02846	10.7
145.03876	0.4
147.05118	18.0
147.11658	1.0
149.09598	1.1
161.13261	1.1
162.85797	0.4
163.03896	100.0
164.04216	1.9
165.12837	0.4
181.04994	0.6
184.07326	0.5
189.12703	2.0
207.13803	2.1
221.50011	0.3
230.68208	0.3
249.47171	0.3
307.08005	1.7
309.10400	10.0
325.09128	1.6
342.58167	0.4
350.98132	0.4
376.93097	0.4
471.35605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.7
55.05501	0.8
57.03432	5.5
63.02366	0.6
63.49464	0.5
67.05462	0.5
69.03419	1.9
69.36069	1.2
69.36456	1.2
70.06568	1.1
71.01345	1.0
71.04989	27.6
73.02895	0.9
75.04463	1.0
79.05477	1.0
81.03399	1.2
83.04977	2.2
85.02901	32.7
87.04468	1.3
89.03919	5.2
95.04967	0.8
97.02883	4.1
98.22711	0.9
99.04482	1.1
100.27930	0.5
107.04933	1.5
109.02904	0.5
109.10184	0.6
111.04427	1.3
117.03375	8.2
123.04420	1.4
127.03911	1.4
129.05489	6.8
135.03366	0.7
135.04401	11.9
145.02835	9.9
145.03929	1.0
147.06540	1.5
159.40514	0.6
161.05974	0.9
163.03896	100.0
164.04207	1.7
165.05466	1.8
181.04962	1.7
239.64297	0.5
273.07626	0.8
297.85239	0.6
307.08115	1.9
309.09634	1.4
325.09131	4.3
417.96811	0.5
471.14499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05503	0.9
55.62281	0.5
57.03189	0.5
57.03437	4.6
59.04971	0.7
61.02927	0.7
63.02367	0.8
65.41273	0.6
67.05493	0.7
69.03417	2.1
70.06589	0.8
70.69590	0.7
70.69923	0.8
71.01343	1.4
71.04988	24.0
73.02912	0.7
75.04465	1.3
76.68021	0.6
79.05477	1.4
81.03401	1.8
83.04955	3.4
85.02901	31.2
89.03907	6.4
95.04956	0.6
97.02879	4.1
99.04438	1.4
100.11203	1.0
106.07128	0.7
107.04937	1.7
109.02878	1.0
111.04424	2.4
117.03364	7.8
123.04407	1.4
123.08101	0.7
127.03889	1.7
129.05476	7.2
133.27788	0.6
135.04414	15.5
145.02846	10.8
147.06558	0.6
155.10643	0.7
163.03894	100.0
164.04280	3.0
165.05382	1.3
169.04977	0.7
170.58412	0.5
181.04955	1.3
190.50549	0.5
201.90266	0.6
210.14726	0.7
228.13855	0.6
237.14365	0.9
246.14810	4.4
273.07867	0.8
275.12656	0.7
291.09039	0.6
307.08118	1.4
309.09549	0.7
325.09100	3.6
446.66589	0.6
449.57901	0.6
471.14676	1.3
471.35110	1.0
472.31412	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	471.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47739	2.6
55.05500	6.9
57.07087	3.0
59.03712	2.7
59.48213	2.7
67.05507	19.1
69.03426	9.8
69.07074	2.5
70.06603	8.5
71.43372	3.2
79.05505	3.6
81.07060	5.4
85.02915	5.1
85.06539	9.0
86.09700	6.7
89.03935	8.8
91.05487	6.1
93.07039	7.6
95.04964	4.3
95.08601	72.2
97.02885	6.7
100.11264	9.7
101.05871	40.4
105.07006	7.8
107.08597	8.3
113.06013	8.7
115.03884	3.6
117.03354	7.8
118.40241	2.5
119.08573	21.6
121.10156	7.1
122.58337	2.7
123.08052	22.3
133.10107	5.0
135.04378	14.3
135.11707	19.4
137.09628	4.5
145.02849	9.7
147.05208	16.0
147.08090	3.9
147.11656	13.3
149.09607	26.5
151.07573	3.6
159.11720	2.9
161.13249	17.2
163.03891	100.0
163.11226	8.5
165.12741	6.2
174.81532	2.7
179.14418	3.4
181.05080	2.9
182.15388	3.7
184.07324	4.1
186.77826	3.5
189.12741	25.9
190.73019	2.8
207.13789	41.4
210.14995	4.5
295.58737	2.7
309.10440	9.0
371.53308	2.9
387.51270	2.8
471.35199	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	471.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01860	3.0
55.05501	2.1
57.03425	0.9
67.05492	1.2
69.03418	1.8
69.07064	15.6
70.55373	2.1
71.04971	2.0
79.05486	1.8
81.03419	3.5
81.07053	1.5
82.65752	0.8
83.04986	2.2
83.08627	0.8
85.02895	2.6
91.05476	6.4
93.07029	14.0
95.04962	1.6
95.08603	2.7
97.02886	2.9
97.06539	1.4
101.02371	3.2
105.04510	1.0
105.07040	4.2
107.08600	9.1
109.02863	2.6
109.06499	1.9
109.10168	2.0
119.03407	5.4
119.08583	4.1
121.06506	14.6
121.10149	8.6
123.08083	2.8
124.81116	0.9
127.03955	1.6
131.03423	1.9
131.08556	4.8
133.10130	7.1
135.08073	5.9
135.11676	2.6
145.10165	2.4
147.11678	34.3
149.09647	5.0
149.13246	7.8
156.28139	1.1
158.10873	1.2
161.09628	4.2
163.14867	1.2
173.13246	8.9
176.12096	1.4
191.14291	100.0
192.14671	3.8
209.15396	2.6
246.29698	0.9
277.98920	1.1
309.49707	1.3
360.16629	1.0
471.22064	39.3
472.22119	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.61473	0.4
51.37463	0.4
55.01882	0.5
69.03443	0.7
69.07034	0.4
69.64704	1.6
71.04971	0.3
81.03423	1.1
81.96156	0.4
85.02898	2.4
87.00828	1.0
93.07069	0.5
95.08651	0.5
97.02906	1.1
99.04481	0.6
105.01892	1.0
105.03393	0.6
105.07030	0.4
107.08632	0.5
109.02868	0.8
112.75584	0.3
127.03886	2.8
133.10121	0.5
144.21037	0.4
145.04993	1.3
159.02893	0.9
187.11095	0.4
203.05276	0.9
211.14903	0.4
231.04994	0.6
309.16647	0.9
333.07913	7.1
335.09451	2.8
469.88486	0.4
471.22037	100.0
472.22409	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.16648	0.2
55.39912	0.3
57.05777	0.2
70.27000	0.2
70.56698	0.5
105.06096	0.2
131.08444	0.3
172.19263	0.2
185.04262	0.2
282.71466	0.2
292.63666	0.2
309.16644	2.0
419.26996	0.2
427.18875	0.2
471.21994	100.0
472.22366	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	471.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51960	0.9
55.05267	1.1
55.05510	16.0
57.03435	7.5
57.07064	3.2
65.03930	1.6
67.05163	1.9
67.05500	30.0
69.07065	17.7
69.68374	2.1
69.68732	2.0
79.05486	8.6
81.07049	28.5
83.08621	7.9
85.06557	1.2
91.05489	5.7
92.46442	0.9
93.07037	6.2
93.99063	1.0
95.04966	2.0
95.08604	20.7
97.10168	2.9
105.06998	5.0
107.08561	3.4
109.10151	6.1
111.08094	1.2
119.08569	3.0
121.10173	1.9
123.11717	2.0
133.10083	2.1
134.98174	100.0
135.11688	1.3
147.11684	1.0
185.78287	0.9
191.65193	0.9
209.01871	3.5
337.27335	43.4
338.27780	1.9
349.52594	1.1
359.25470	13.1
377.26440	1.2
409.46124	0.9
439.21927	1.5
453.23715	2.2
471.24777	79.6
472.25266	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	471.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26663	1.1
55.05509	16.6
55.55174	0.9
57.03438	7.7
57.07063	2.5
57.47543	0.9
62.00352	0.9
63.00771	1.0
65.03951	1.1
67.05503	29.8
69.07063	17.1
69.88715	3.1
71.04974	1.2
79.05482	8.5
81.07055	28.0
82.07359	1.2
83.04974	1.4
83.08613	7.4
85.06541	1.4
91.05488	4.8
93.07034	8.6
95.08601	21.9
95.59132	0.9
97.06531	1.4
97.10155	2.9
102.91580	1.0
105.07028	4.3
107.08569	4.5
109.10162	5.7
109.32143	1.1
111.08068	1.5
119.08580	5.1
121.10112	2.8
123.11688	3.1
133.10118	2.2
134.98178	100.0
135.11668	1.2
147.39197	1.5
173.13304	1.0
176.00902	1.4
205.85524	1.2
209.01933	5.3
231.34386	1.0
263.23584	1.7
337.27350	41.8
338.27780	2.2
359.25635	12.0
471.24805	70.5
471.35254	2.4
472.25320	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	472.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62133	1.5
58.62967	1.3
64.55073	1.2
69.20232	7.7
83.04967	3.5
91.05491	1.9
109.02863	1.7
110.06033	5.1
136.79384	1.3
145.06458	1.3
189.05397	1.6
229.12291	2.1
267.09842	11.2
272.16296	1.5
276.46851	1.4
283.07724	3.1
301.08658	100.0
302.08994	4.5
342.11234	2.0
410.13919	85.4
411.14069	2.1
454.12888	44.9
455.13416	2.1
472.13910	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	472.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	0.9
55.05488	1.0
57.03429	0.5
67.05499	6.9
68.05028	8.2
69.03424	2.8
69.05805	1.9
69.07048	1.0
69.36579	0.8
69.36994	1.6
70.06586	6.6
71.04986	1.0
78.03437	0.7
79.05466	0.6
80.05000	0.9
81.03413	2.9
81.07049	1.2
82.28875	0.5
83.04971	1.1
83.82521	0.4
85.02890	1.1
87.00822	0.6
90.16990	0.5
91.05506	1.0
93.07035	1.1
95.04980	2.3
95.08607	3.9
96.04488	32.1
97.04832	0.6
99.04465	0.5
106.06579	0.7
108.08117	1.4
109.06469	0.7
109.10135	6.6
116.46092	0.4
118.06519	0.6
119.08578	0.7
122.06030	0.7
124.07591	1.5
127.03897	0.8
136.07593	0.7
137.08493	0.6
137.09596	2.4
138.09106	0.8
138.12686	0.5
145.10080	0.4
145.35956	0.4
149.08443	0.4
150.09152	1.4
153.39615	0.4
154.04967	0.9
162.61122	0.5
178.15952	0.8
206.15393	100.0
207.15721	3.4
224.16437	47.6
225.16846	1.1
275.12625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2308
Annotation	Scutebarbatine K
Peak:m/z	Relative Intensity
69.09595	1.8
69.10007	0.7
89.56065	0.3
94.84512	0.3
97.47889	0.2
98.22630	0.6
100.92452	0.3
134.37161	0.3
147.06471	0.7
159.17139	0.3
191.05547	1.5
204.06316	4.2
205.06998	1.1
218.07899	2.8
219.08653	3.8
246.07462	0.4
249.16203	0.3
251.07439	0.3
264.08502	0.7
276.12000	0.5
281.08514	0.3
286.10474	0.4
288.12039	3.5
300.11938	0.4
314.13419	0.7
398.19400	1.5
426.16705	0.4
426.22467	6.1
427.22955	0.4
436.21063	3.7
454.21979	59.5
455.22330	4.0
468.19595	0.3
472.23047	100.0
473.23489	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	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56324	6.3
56.06090	5.7
67.05505	22.6
71.32112	8.2
79.05504	14.5
81.07069	14.8
88.30613	5.2
90.99142	7.8
91.05473	15.1
93.07070	14.2
95.04921	5.6
95.08609	11.2
105.07040	9.8
108.47288	6.8
109.10177	24.8
119.08569	6.8
121.10147	5.4
133.10129	8.8
135.11710	10.0
145.10143	8.9
147.11725	7.8
149.02350	100.0
149.03419	7.2
163.11176	12.1
173.11794	7.4
173.13284	7.1
193.04962	71.3
227.12753	13.1
229.14383	33.7
263.58447	6.0
274.37390	6.6
275.20145	13.2
280.40527	7.4
281.10373	10.1
283.15494	13.1
341.06604	21.3
385.09137	49.1
429.11816	12.9
437.25305	18.3
473.14270	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
63.84833	0.5
69.03413	1.3
69.90104	1.2
69.90479	1.1
70.06588	6.0
72.08138	3.0
81.03405	1.7
83.06106	0.6
84.04519	1.4
84.08141	2.0
85.02885	1.2
86.09693	4.7
87.05609	0.8
91.05412	0.7
93.07035	0.6
97.02882	0.6
98.23343	0.9
99.04456	0.8
107.04936	0.8
109.02869	0.7
114.10257	0.8
116.07087	0.8
116.98563	0.6
121.06470	1.3
127.03923	0.8
129.10225	1.8
130.05025	1.0
136.07567	1.4
147.07588	0.8
149.06017	3.5
167.07051	2.6
174.00919	0.5
178.60709	0.7
181.04936	3.5
189.05211	3.3
203.05261	1.2
207.06233	7.3
225.07309	4.0
227.05254	1.3
245.06299	7.4
261.12164	0.7
271.04092	1.1
289.05292	8.6
312.15561	0.9
387.12613	7.6
411.12500	0.7
429.13614	24.3
430.14182	1.2
473.12582	100.0
474.12930	4.0
474.20804	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	473.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05515	0.7
56.05825	0.3
59.04859	4.6
60.04525	0.3
60.05644	16.6
62.06077	0.3
69.03416	1.2
69.04533	0.3
70.05239	0.3
70.06580	0.8
72.08126	0.6
73.06404	2.6
79.05474	1.2
81.03407	3.1
83.04951	0.4
83.08595	1.0
84.05606	1.4
84.08134	0.5
85.02897	1.6
85.06395	0.8
85.10640	0.2
86.04807	0.3
86.07166	2.2
86.09698	2.1
87.05595	1.8
88.05116	0.4
89.03912	6.4
93.07040	0.7
95.04953	0.7
97.02880	0.9
99.04430	0.3
100.07593	0.3
100.11256	4.5
101.11567	1.6
102.06638	1.3
103.07435	4.0
104.08194	1.3
107.04946	2.0
107.08615	0.4
109.02849	1.0
111.04436	0.4
114.10297	0.5
117.03367	8.0
119.06904	1.2
119.08553	0.3
119.73155	0.3
121.10133	0.8
123.08024	0.3
127.03915	0.7
128.07085	0.4
133.10164	0.4
135.04404	17.6
136.04807	0.4
136.07468	0.4
145.01686	0.6
145.02843	11.8
147.04427	0.3
149.06686	31.6
163.03888	100.0
164.04218	2.1
170.01318	0.3
181.04907	3.8
182.15405	0.8
183.15668	0.5
191.14371	0.6
207.13864	0.7
210.14902	1.0
210.16742	0.4
211.15237	0.7
225.11084	0.4
226.24515	0.3
258.42175	0.3
289.05441	0.7
307.08017	3.1
311.12045	2.0
312.15482	0.3
325.09061	2.3
387.16263	0.4
427.16061	0.5
429.17361	1.5
455.15054	0.5
472.35699	4.7
473.16055	4.0
473.23172	0.7
473.35895	1.8
474.20877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1572
Annotation	Marchantin F
Peak:m/z	Relative Intensity
50.31990	0.8
54.36348	0.9
57.46099	0.9
58.06598	2.1
67.05504	1.6
70.55946	1.7
70.56280	1.1
72.71814	0.9
72.77406	1.0
81.07030	1.0
83.04993	3.4
86.92009	1.0
87.04528	1.1
89.50311	0.8
93.07036	1.5
94.84295	0.9
100.80721	1.0
113.63450	1.1
144.10173	1.0
213.30640	0.9
215.06740	5.8
225.08975	1.6
236.15022	4.7
281.07825	100.0
282.08145	3.0
287.95459	1.1
427.15289	1.2
455.14490	10.4
456.15155	1.3
472.35907	1.9
473.15784	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	473.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99660	1.3
51.02367	2.2
53.03940	6.5
55.01865	2.7
57.03436	2.9
62.83443	1.7
67.05492	2.0
69.03420	19.8
69.49201	2.9
69.49599	6.0
71.01337	1.6
71.04980	3.4
74.97865	1.5
77.03951	2.0
79.05500	5.2
81.03413	16.8
83.04967	2.7
85.02896	16.5
91.05472	22.2
93.07040	38.3
95.04960	15.4
97.02882	17.8
97.06532	4.3
98.23508	1.5
99.04453	6.2
103.05466	3.2
105.04531	5.5
105.07007	2.2
107.04984	2.2
109.02880	6.8
109.06503	2.7
111.04456	2.2
111.08086	4.8
114.40565	1.6
121.06497	79.8
122.06891	2.2
123.04387	1.7
123.08122	2.3
125.06000	4.1
127.03929	9.4
129.10211	1.5
131.04898	9.1
133.06491	6.2
139.07538	8.6
145.04909	2.6
147.04366	2.3
149.05968	100.0
150.06339	1.6
160.08983	1.6
167.07033	70.3
168.07333	3.1
173.04424	13.0
278.56262	1.7
293.10214	3.3
311.11304	5.9
423.25549	1.9
473.11774	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	473.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86523	0.5
53.03925	1.1
55.05507	17.9
66.71272	0.4
67.05510	1.2
69.07031	0.5
70.02492	1.0
79.05487	0.6
81.07058	1.1
83.04973	100.0
84.05312	0.9
91.05499	1.2
92.63564	0.5
93.07041	0.8
95.08603	0.8
98.98483	2.5
105.07023	1.3
115.05448	1.6
117.06966	1.0
119.04948	0.5
121.06460	0.6
128.06219	0.6
129.07034	0.7
133.06480	1.1
135.04439	0.7
136.99995	2.1
142.07805	0.6
145.06456	2.1
147.08064	1.0
155.01044	1.5
159.08031	3.1
160.08821	0.7
161.05968	7.0
171.08052	0.9
173.09624	2.0
185.09579	0.7
187.07552	2.0
188.08330	1.5
189.09081	12.7
199.07524	1.4
201.09084	19.3
202.09380	0.5
209.06068	1.2
211.03636	0.8
211.07576	2.1
212.08311	0.8
213.09026	4.4
215.06989	4.0
225.09070	41.3
226.09465	1.7
229.08562	7.3
229.12215	2.0
230.09314	1.5
231.10124	9.3
243.10127	18.3
257.08368	0.6
313.14365	1.2
337.27380	0.8
349.14432	1.8
373.14301	20.5
374.14725	0.9
391.15350	39.0
392.15665	2.2
431.18497	1.1
455.18378	1.3
473.19617	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	473.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79767	0.7
71.42143	0.7
74.62889	0.8
79.53319	0.8
85.02939	1.0
90.44759	0.6
95.67174	0.7
107.08672	0.7
109.02816	0.8
151.03995	0.8
153.50122	0.7
169.47733	0.8
179.08586	1.8
182.07382	1.1
197.09648	3.0
225.09081	1.3
229.06860	2.2
229.12277	1.0
239.10680	1.1
267.10187	2.1
317.08429	34.1
318.08957	1.1
472.81589	1.2
473.19916	100.0
474.20667	3.7
487.58954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.05516	2.5
57.03417	5.3
61.02917	5.3
67.05495	4.3
68.99773	4.0
69.03424	21.4
70.06580	2.9
72.08159	3.6
73.02866	3.3
79.05484	3.0
81.03418	25.2
81.07053	18.9
85.02899	100.0
86.09702	6.7
87.00819	7.3
87.64188	2.7
91.05479	6.9
93.07023	2.9
95.08598	6.7
97.02887	13.6
99.04453	6.4
105.01829	7.3
105.07027	7.3
107.08627	3.3
108.60707	2.6
109.02908	15.2
109.06487	3.5
109.10143	12.0
119.08521	5.7
121.06566	3.7
121.10128	10.3
123.08055	7.2
123.11700	74.0
125.05984	7.5
127.03910	28.3
131.08586	2.9
145.04965	3.0
145.10197	3.3
147.07982	4.0
147.11674	8.2
149.09651	12.9
151.07515	6.2
163.03868	7.4
163.11119	4.0
167.10655	6.4
185.39806	2.8
189.12773	8.6
207.13782	69.3
207.15604	5.4
208.14159	3.2
225.14841	57.6
225.18289	3.4
231.04927	9.0
276.99557	2.8
289.08368	3.2
293.17047	3.2
336.79721	2.7
473.23212	24.9
473.35214	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01868	3.9
55.05509	1.0
57.03434	5.5
59.04993	0.6
61.02934	2.1
67.05497	1.8
68.99783	1.8
69.03063	0.9
69.03426	17.0
69.07074	0.5
69.09732	3.2
70.06572	1.1
71.01351	0.6
71.04977	3.3
73.02910	3.2
75.04441	0.4
77.35181	0.5
79.05486	2.1
81.03410	14.0
81.07043	2.2
83.01318	0.6
83.04977	5.9
83.08598	0.8
85.02898	35.0
86.09704	0.9
87.00827	15.2
87.04472	0.5
91.03944	0.8
91.05483	3.8
93.07041	2.5
95.04441	0.5
95.04936	2.9
95.08598	3.7
97.02886	12.6
97.06525	1.7
99.04446	6.2
99.08089	2.8
103.03956	0.5
105.01859	10.3
105.07027	3.8
105.26981	0.5
107.04958	0.8
107.08579	4.0
109.02872	12.8
109.06513	10.1
109.10143	1.3
109.31690	0.4
111.04404	3.8
111.08059	0.7
115.03947	0.5
115.05464	0.5
117.01830	1.7
117.07026	0.7
119.08578	5.7
121.06496	7.6
121.10143	6.3
123.08057	100.0
123.11683	1.4
124.08378	1.7
125.06007	0.5
125.09630	1.5
127.03902	25.3
127.07543	0.6
129.01820	1.7
131.08578	1.4
133.10127	4.7
135.08028	2.4
135.11671	1.6
137.05922	0.6
137.09605	1.3
143.08548	0.5
145.04953	7.9
145.10123	1.3
147.02834	1.4
147.08026	1.6
147.11690	4.2
149.09593	13.3
151.07457	2.1
151.11151	7.5
152.11487	0.6
159.02863	7.3
159.08072	0.8
161.13263	1.1
163.11189	4.4
165.09140	1.8
165.12782	2.2
167.10670	3.9
171.11717	1.1
177.03862	0.5
177.05388	0.5
181.12227	6.2
189.03909	0.9
189.12709	3.5
191.14363	0.9
205.12192	1.0
207.05379	0.7
207.13780	33.5
208.14116	1.3
213.03941	1.1
225.06648	1.4
225.14828	27.2
226.15199	1.6
231.04987	3.7
246.05037	0.6
255.10092	0.5
259.63638	0.5
277.14270	1.9
356.76080	0.5
429.21075	0.5
473.13928	2.9
473.20071	3.0
473.30722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.42576	0.4
55.05509	15.7
55.39413	0.5
61.20700	0.4
70.73145	0.8
76.83770	0.4
79.71819	0.4
83.04978	100.0
84.05311	1.0
98.22720	0.4
124.04018	0.4
131.08549	1.5
134.98167	0.9
135.08032	0.5
151.14606	0.3
160.60077	0.5
190.46988	0.4
225.12758	1.5
281.11810	0.5
289.12177	0.8
320.66830	0.4
345.18430	0.9
373.18259	0.6
473.25467	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	473.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.0
57.03441	7.9
57.07077	7.5
63.53125	1.0
65.03908	1.1
67.05161	1.2
67.05501	13.5
69.06716	1.3
69.07069	24.2
69.69141	2.7
69.69524	2.0
71.04982	1.1
71.08622	3.9
79.05486	6.7
80.88679	0.9
81.07058	15.3
81.08067	0.9
83.08613	12.8
91.05453	1.4
93.07044	7.5
95.08596	12.0
97.06528	2.6
97.10177	8.5
98.23402	1.7
107.08575	4.1
107.92694	0.9
109.10163	4.3
111.08095	2.1
111.11717	1.7
121.10149	6.7
124.92065	1.0
134.98178	100.0
135.11687	4.0
149.13333	1.3
176.00806	1.4
209.01843	2.3
209.52078	1.0
247.24254	1.7
272.09052	1.0
339.28931	45.5
340.29272	1.6
361.27063	6.4
379.28177	1.3
473.26358	66.0
474.26883	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	473.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01892	0.6
55.05508	20.5
57.03436	8.0
57.07076	8.5
65.03944	0.9
67.05163	1.1
67.05499	14.4
69.07065	24.4
69.28687	3.1
71.08634	3.1
79.05491	7.6
81.07053	12.7
83.04968	1.3
83.08607	11.3
85.06540	0.9
85.10168	1.4
91.05482	1.5
93.07037	8.6
95.04950	0.6
95.08604	12.8
97.06530	3.0
97.10162	7.4
97.69273	0.6
99.76761	0.8
105.07018	0.7
107.08573	5.0
109.10160	2.9
111.08072	3.1
111.11713	1.4
121.10137	8.0
123.11707	1.3
134.98178	44.2
135.11667	3.6
149.13260	1.6
176.00838	0.9
209.01881	3.8
231.13680	0.7
241.07408	0.7
247.24080	0.9
265.25128	1.3
339.28903	17.6
339.33105	0.9
361.27295	3.2
379.28088	1.7
426.47656	0.9
441.23706	1.4
455.25320	1.5
473.26367	100.0
474.26712	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	474.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37014	0.3
55.01865	0.4
55.02995	3.5
55.05513	2.1
56.13578	0.2
58.73833	0.2
59.44734	0.3
60.05643	0.9
61.51736	0.2
65.03648	0.3
65.03932	1.7
67.05511	0.7
69.03430	0.9
69.13946	0.4
69.14343	1.6
70.06584	0.7
72.05635	1.2
72.08154	35.8
73.06549	1.2
73.08495	0.4
82.04191	0.5
82.33859	0.3
84.08134	0.5
85.02912	1.9
86.09698	1.3
90.09206	1.3
93.03406	0.8
95.04959	0.3
97.02918	0.5
97.06582	0.6
97.07652	20.0
110.03654	1.1
111.04462	0.5
114.10287	32.5
115.08680	1.2
115.10648	0.3
123.04414	0.3
125.05972	0.9
129.10194	0.3
130.04950	0.3
132.11325	11.8
138.03062	0.5
140.04672	0.5
142.02606	0.3
146.70073	0.3
147.07632	0.4
153.05469	2.9
155.07031	0.5
171.06525	3.3
180.06558	1.0
181.04947	100.0
182.05270	2.6
198.07640	0.5
204.84633	0.3
215.13914	0.3
253.10545	0.5
260.16083	0.4
295.12912	1.2
312.15509	54.9
313.15793	2.2
318.79749	0.3
376.00125	0.3
401.60599	0.3
474.20813	64.7
475.21213	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51967	1.0
55.05504	2.8
57.03411	1.2
59.17237	1.0
67.05495	4.3
69.03424	2.4
69.07061	4.1
71.04993	17.4
72.80576	1.1
79.05497	7.4
81.03419	1.4
81.07066	7.5
82.35513	1.1
83.04981	1.4
83.08604	2.2
85.02895	4.2
85.06535	9.5
87.00829	2.0
91.05483	6.3
93.07048	13.0
95.04968	3.2
95.08593	11.3
97.02872	1.8
97.06534	15.6
98.22617	2.1
100.38908	1.0
105.01857	3.2
105.07028	15.0
107.08600	17.3
109.06499	6.4
109.10149	3.6
111.08068	3.8
117.07001	2.9
119.08595	9.2
121.10133	33.3
121.13782	1.1
123.08049	3.1
127.03894	4.2
131.08556	7.4
133.10126	100.0
134.10464	2.2
135.08051	13.9
135.11659	1.2
143.08543	2.0
145.04994	2.1
145.10098	4.2
147.11681	18.9
149.09613	2.0
149.13254	16.3
158.10887	3.4
163.04028	1.4
173.13257	24.0
174.41833	1.3
181.04984	1.5
191.14301	85.7
192.14711	1.6
196.10707	1.3
209.15341	2.5
392.34872	1.2
414.22485	10.5
456.24319	1.6
474.24527	28.9
475.24670	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73159	1.4
55.05504	2.7
55.23182	1.3
57.07081	1.7
67.05506	9.2
69.07068	6.7
69.45197	7.3
71.37743	1.2
79.05475	2.1
81.07039	4.0
91.05481	6.5
93.07047	5.4
95.08597	18.9
105.07037	12.3
107.08578	6.3
109.10154	23.7
119.08568	39.2
121.10139	3.5
121.87101	1.4
123.11657	2.2
133.10124	51.2
135.11714	7.7
137.09622	9.6
145.10115	2.7
147.11671	12.6
149.13286	2.8
151.14819	4.2
160.12466	2.0
161.09523	2.0
163.03806	1.9
175.14809	100.0
176.15152	2.7
191.03169	1.4
193.15878	28.0
196.96120	1.6
250.36847	1.6
276.54172	1.5
363.08737	6.1
367.33984	1.6
475.21472	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	474.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47750	1.3
68.02588	1.4
69.07048	1.3
70.37812	2.7
72.94918	1.2
73.04749	6.7
74.81074	1.1
75.02657	1.4
77.00602	33.4
79.02174	1.7
79.19167	1.2
79.33026	1.1
81.07062	3.0
83.04992	2.2
87.53673	1.1
89.06026	12.3
91.05805	9.2
93.07057	1.5
93.18104	1.1
94.72569	1.2
95.01638	100.0
95.08612	1.6
95.89487	1.3
98.23354	1.4
99.02669	3.2
101.04225	2.8
103.02139	1.4
112.99998	2.0
113.02661	2.9
117.03691	3.6
117.07311	4.0
118.03209	6.6
119.01591	2.0
119.34483	1.3
121.03194	6.8
127.25536	1.3
130.73418	1.4
133.08614	2.4
133.34248	1.2
134.98230	1.4
144.04756	1.1
145.06787	26.2
147.04720	29.9
161.09926	3.0
165.05763	3.3
169.03528	2.5
189.09410	79.0
221.08540	1.4
235.10002	4.6
239.09471	5.2
277.14642	37.3
363.29160	1.4
380.91745	1.4
408.49658	1.2
459.92996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06015	0.4
55.05519	1.8
55.05707	0.4
56.05806	0.5
57.03436	8.8
57.03699	0.3
57.07069	3.4
58.06597	26.7
59.07378	9.6
60.08162	7.9
60.10897	0.3
61.82743	0.3
67.05505	4.1
68.05807	0.6
69.07039	1.9
69.49313	1.5
71.08629	2.6
73.02885	1.2
75.04474	4.1
79.05471	0.7
80.05801	0.6
81.07050	2.7
82.07374	0.5
83.04977	4.5
83.08592	1.0
84.05285	0.9
84.08102	0.6
85.02896	1.8
85.10147	1.6
87.03981	0.4
87.04456	4.4
91.05435	0.6
93.05489	0.6
93.07018	1.0
94.65492	0.4
95.08602	3.3
96.08884	0.7
97.10146	0.6
98.23479	0.7
98.98457	3.2
100.11266	0.4
101.05982	0.5
102.05486	0.4
103.03933	0.7
105.05467	0.7
106.07336	0.4
109.10138	0.9
110.10464	0.4
111.11774	0.4
113.05993	0.6
123.11635	0.4
131.06989	2.2
134.98181	2.5
136.98619	1.2
136.99982	1.5
144.09221	0.6
144.10202	7.0
155.01036	3.0
162.11238	4.3
169.88763	0.4
211.03641	1.1
218.13916	0.9
229.12181	0.6
236.14906	100.0
237.15208	2.2
313.27475	0.4
338.27667	1.6
340.28348	1.2
412.37808	0.6
456.36798	22.9
457.37146	1.3
468.71768	0.4
474.26468	3.6
474.37869	60.7
475.38391	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	475.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03437	9.8
59.05003	0.3
61.02682	0.3
61.02926	2.9
64.12035	0.2
65.03649	0.2
65.03941	2.6
67.05500	1.5
69.03424	6.1
69.17594	0.4
69.17995	1.2
70.03746	0.3
71.01334	0.8
72.75207	0.2
73.02914	22.7
79.05492	0.6
81.03399	0.5
82.04183	0.7
85.02898	4.7
87.04456	0.3
91.05511	0.3
93.03403	0.7
95.04961	1.0
96.79716	0.2
97.02885	1.9
97.06520	1.1
98.23457	0.4
101.34866	0.2
108.02087	0.6
110.03676	1.5
111.04465	0.4
115.03926	3.2
123.04379	0.3
125.05998	0.8
127.03912	2.3
129.32404	0.2
133.04990	0.4
138.03098	0.7
140.04669	2.8
142.02597	0.5
153.05467	2.7
153.15961	0.2
155.07028	1.3
163.50043	0.2
171.06529	3.4
181.04944	100.0
182.05269	2.4
199.06007	2.8
223.06067	0.4
235.06020	0.5
265.07059	0.6
325.09131	1.0
343.10233	10.8
344.10571	0.4
353.11264	0.3
354.11444	0.3
475.26489	0.5
475.32455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49879	0.2
53.03925	0.3
55.01866	1.3
57.03423	0.5
61.02922	0.3
61.39784	0.2
65.03951	0.3
67.05482	0.7
68.99776	0.6
69.03425	2.2
69.23703	1.2
71.01347	0.3
71.04979	0.3
73.02902	0.5
78.27007	0.3
79.05473	0.6
81.03407	2.1
85.02901	2.6
87.00836	1.8
91.05489	0.5
93.03371	0.2
95.04961	2.0
97.02863	1.4
99.04449	0.7
103.03911	0.9
105.01876	0.6
105.07005	0.7
107.04950	0.5
109.02882	1.3
115.03947	0.3
115.05404	0.4
117.01833	0.2
119.04896	0.2
121.06509	2.1
123.04386	0.4
127.03904	1.7
128.06177	0.5
129.06964	0.9
131.08498	0.2
133.06482	0.5
135.04492	0.2
141.06985	0.9
142.07799	1.5
143.08574	2.2
145.04913	0.5
145.06480	3.0
146.07031	0.3
153.06981	1.0
154.07838	0.4
155.08574	0.7
156.09328	2.2
157.06448	0.3
157.10141	1.3
158.07292	1.6
159.02861	0.5
159.08046	1.1
161.05954	0.5
165.06946	2.4
166.07777	5.1
167.08365	0.3
169.06456	1.0
169.10146	0.4
170.07224	0.4
171.08052	2.1
171.11685	1.7
173.05986	0.6
179.08511	0.7
181.06476	0.5
181.10089	2.4
182.07210	2.0
183.08008	1.6
184.08841	4.6
185.09619	3.4
187.07460	0.4
189.03925	0.4
194.07263	0.8
195.07986	0.6
196.08847	0.3
197.05936	0.7
197.09624	2.8
199.07495	0.7
199.11165	7.8
209.09572	2.8
210.10365	0.4
211.07568	0.8
211.11153	0.5
212.08322	5.4
213.09114	1.3
220.08786	0.2
223.11143	0.6
225.09100	7.8
226.09662	0.6
227.10651	100.0
228.10956	3.7
229.12169	0.3
239.10750	1.9
241.12233	1.0
251.10728	0.7
265.12042	0.3
267.10034	0.3
269.11749	2.8
281.11682	0.5
307.13351	0.4
317.11465	0.3
335.12759	0.4
395.15042	0.3
431.17111	0.7
457.15045	0.8
469.76190	0.3
475.15933	10.5
476.16241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94603	5.2
53.03946	7.8
55.01882	5.7
55.05495	7.1
57.03437	17.8
57.07095	5.1
57.78787	4.6
65.03944	5.8
67.05479	5.8
68.24170	4.7
68.99776	5.4
69.03424	33.1
69.07050	10.8
69.70805	18.7
70.91496	5.6
71.04981	11.6
79.05491	9.7
81.03423	22.6
81.07058	20.8
81.98874	5.5
83.04962	6.6
85.02901	58.4
85.06586	8.9
86.09702	6.4
87.00819	33.3
91.05491	13.5
93.07046	15.7
95.04961	82.2
95.08603	16.2
97.02892	23.8
97.06534	36.7
99.04466	26.8
105.01865	19.7
105.07019	22.1
107.08588	26.3
109.02901	18.8
109.06519	62.0
109.10145	13.6
111.04509	5.0
111.08042	6.5
115.07571	15.2
119.08594	22.4
121.10133	28.3
123.08063	10.1
123.11679	6.2
124.88275	4.9
125.09641	8.0
127.03896	33.2
131.08546	17.5
133.10117	60.9
135.08029	11.0
135.11696	9.2
140.07025	7.4
145.04982	11.3
145.10141	8.4
146.06036	11.1
147.04413	6.7
147.11691	34.1
149.13202	6.5
151.11172	5.8
153.09097	44.6
154.82785	4.8
163.14804	7.0
165.12756	12.7
171.10170	8.2
172.03937	8.8
173.13261	29.6
174.05450	25.8
190.04973	7.4
191.14281	47.5
209.15358	100.0
209.17191	6.1
227.16374	82.0
303.57809	5.3
475.25128	28.4
484.38785	5.6
497.33298	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
53.06404	1.1
54.29416	1.2
55.01868	4.4
55.05496	5.6
57.03425	8.7
57.07068	1.6
59.04996	2.8
60.81352	1.3
61.02929	2.4
65.03923	1.8
65.91908	1.1
67.05499	8.2
67.11565	1.1
68.99786	2.2
69.03424	26.6
69.07054	7.1
69.21532	5.8
71.04995	11.0
73.02912	4.7
77.00613	1.7
79.05482	7.0
81.03424	12.1
81.07050	22.1
83.04969	5.3
83.08627	2.2
85.02898	58.3
85.06528	5.1
87.00822	34.5
87.41220	1.3
91.05476	9.9
93.07037	27.1
95.01602	1.5
95.04955	7.5
95.08586	15.4
97.02888	18.2
97.06518	8.7
99.04440	14.2
99.08074	3.3
101.05989	3.1
105.01861	25.0
105.07021	24.5
105.43887	1.2
107.08590	42.2
109.02858	12.6
109.06512	6.4
109.10135	14.2
111.08063	10.1
115.05399	1.9
119.08561	17.4
121.06493	1.8
121.10121	25.6
123.08054	19.0
123.11685	6.4
125.09579	1.9
127.03901	30.1
127.07492	2.1
129.01860	2.2
131.08548	17.4
132.09129	1.1
133.10120	100.0
134.10480	2.2
135.08029	5.8
135.11688	22.1
137.09619	4.5
137.13281	6.2
139.11156	6.9
141.09117	2.3
143.08565	2.1
143.70766	1.3
144.09343	1.4
145.04930	11.1
145.06761	2.0
145.10097	6.8
147.04796	1.3
147.11679	28.1
149.09618	4.4
149.13255	14.3
151.11168	16.3
153.09122	1.7
158.10939	2.8
159.02878	5.4
161.13315	1.7
163.11179	4.7
163.14787	17.2
165.12753	19.8
167.14368	2.1
169.12170	1.7
173.13255	42.3
173.14774	2.2
175.14803	2.9
183.13811	2.4
191.14294	59.6
192.14609	1.9
196.74492	1.5
203.07391	2.3
207.13820	6.2
209.15347	80.2
210.15697	3.3
225.14955	2.0
227.16403	43.0
228.16849	2.6
231.05016	5.3
238.05760	1.2
241.29778	1.5
247.56648	1.3
383.49792	1.7
440.03134	1.4
475.21512	2.1
493.56512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01875	4.6
55.05507	3.6
55.35283	2.6
57.03429	9.8
61.02931	4.5
67.05504	5.6
69.03427	28.9
69.07047	5.2
69.11263	16.2
69.11671	4.7
70.06574	4.6
71.04993	10.7
75.61168	2.9
77.64832	2.6
79.05502	10.5
80.54616	2.6
81.03420	19.1
81.03834	2.8
81.07062	15.6
83.04977	6.7
83.08623	5.3
84.04523	3.3
84.08145	5.7
85.02908	49.0
85.06535	7.1
86.09711	6.9
87.00840	23.7
91.05487	12.4
93.07022	16.3
95.04958	67.6
95.08620	11.2
97.02901	13.8
97.06544	29.1
99.04448	20.8
99.08073	6.1
105.01857	18.9
105.07021	27.8
107.08587	22.5
108.08971	2.7
109.02866	14.2
109.06511	45.5
109.10148	13.6
111.04423	3.2
111.08073	7.0
115.07555	9.0
119.07844	3.0
119.08537	16.6
121.10149	25.0
123.08081	7.1
125.05953	4.8
127.03914	27.0
127.07507	4.5
129.01837	3.2
129.07050	3.2
131.08582	10.8
133.10123	56.5
134.10490	3.7
135.08029	11.1
135.11705	7.7
137.05940	4.9
139.11139	4.1
145.04962	9.7
145.10071	4.1
147.04396	13.7
147.11664	31.5
149.09567	4.9
149.13217	7.1
151.07529	4.5
151.11203	5.3
153.09094	39.2
159.02881	3.8
159.07915	3.1
161.06105	3.5
163.11053	3.1
163.14810	4.7
165.12746	7.7
171.10139	5.4
173.13252	20.5
175.14865	3.6
181.04999	9.7
191.14314	49.1
192.14713	7.5
201.12514	2.9
209.15356	100.0
210.15762	3.1
227.16399	69.9
228.16714	3.5
231.05016	5.7
286.15204	2.8
347.84747	3.4
403.40753	2.9
475.25214	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05494	1.7
57.03430	2.5
57.07064	0.8
61.02921	1.7
67.05494	3.0
69.03422	7.0
69.07067	2.3
69.14285	4.1
71.04980	2.1
71.07858	0.5
73.02885	0.5
78.27290	0.6
79.05492	2.3
81.03404	3.6
81.07050	9.0
83.04974	2.6
83.08598	0.8
85.02895	13.3
85.06516	0.9
87.00821	7.5
91.04960	0.6
91.05437	3.0
93.07036	9.1
94.91327	0.6
95.04926	3.4
95.08589	8.9
97.02898	3.7
97.06529	1.4
97.10177	2.7
98.23435	1.5
99.04467	4.0
99.08085	0.8
105.01852	5.8
105.07019	6.6
107.08566	5.2
109.02886	4.0
109.06490	3.4
109.10162	4.8
111.08070	1.1
119.08559	5.2
121.02853	1.0
121.06480	0.5
121.10122	5.6
123.08050	3.2
123.11700	2.2
125.09587	0.7
127.03893	6.7
131.08569	2.3
133.10097	8.8
134.49419	0.6
135.08078	0.7
135.11691	2.2
137.09590	1.3
139.11168	4.3
145.04950	1.9
145.10100	0.7
147.11667	6.3
149.09607	1.5
149.13237	3.1
151.03885	1.4
151.11162	52.4
152.11526	1.3
153.12717	0.7
159.02904	1.5
161.13231	4.7
163.03891	2.3
163.14816	1.7
165.12729	9.7
173.13254	2.3
179.14328	2.3
183.13803	1.7
191.14262	6.2
206.03932	0.6
207.13829	1.0
209.13383	1.1
209.15352	17.6
225.09143	0.9
225.14757	1.4
227.16393	17.9
228.21353	0.6
231.05075	1.5
245.11743	0.6
342.02927	0.7
475.32510	100.0
476.32782	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94603	5.2
53.03946	7.8
55.01882	5.7
55.05495	7.1
57.03437	17.8
57.07095	5.1
57.78787	4.6
65.03944	5.8
67.05479	5.8
68.24170	4.7
68.99776	5.4
69.03424	33.1
69.07050	10.8
69.70805	18.7
70.91496	5.6
71.04981	11.6
79.05491	9.7
81.03423	22.6
81.07058	20.8
81.98874	5.5
83.04962	6.6
85.02901	58.4
85.06586	8.9
86.09702	6.4
87.00819	33.3
91.05491	13.5
93.07046	15.7
95.04961	82.2
95.08603	16.2
97.02892	23.8
97.06534	36.7
99.04466	26.8
105.01865	19.7
105.07019	22.1
107.08588	26.3
109.02901	18.8
109.06519	62.0
109.10145	13.6
111.04509	5.0
111.08042	6.5
115.07571	15.2
119.08594	22.4
121.10133	28.3
123.08063	10.1
123.11679	6.2
124.88275	4.9
125.09641	8.0
127.03896	33.2
131.08546	17.5
133.10117	60.9
135.08029	11.0
135.11696	9.2
140.07025	7.4
145.04982	11.3
145.10141	8.4
146.06036	11.1
147.04413	6.7
147.11691	34.1
149.13202	6.5
151.11172	5.8
153.09097	44.6
154.82785	4.8
163.14804	7.0
165.12756	12.7
171.10170	8.2
172.03937	8.8
173.13261	29.6
174.05450	25.8
190.04973	7.4
191.14281	47.5
209.15358	100.0
209.17191	6.1
227.16374	82.0
303.57809	5.3
475.25128	28.4
484.38785	5.6
497.33298	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34325	1.8
53.03945	5.6
55.01877	7.1
55.05504	7.7
57.03434	9.5
57.07078	3.1
59.04992	3.2
61.02925	5.0
67.05504	8.4
68.99791	3.7
69.03423	31.1
69.07069	7.6
71.05001	9.8
73.02925	3.1
79.05508	9.1
81.03391	14.9
81.07051	28.1
83.04972	5.6
83.08614	5.7
85.02902	60.0
85.06538	3.8
87.00830	26.7
91.05476	13.9
92.02750	1.8
93.07036	15.1
95.04971	30.0
95.08613	14.5
96.30509	1.9
97.02882	17.1
97.06525	19.3
99.04433	16.5
99.08116	6.1
105.01849	21.5
105.02444	2.3
105.07022	33.7
107.08595	25.1
109.02872	12.5
109.06516	49.2
109.07219	3.8
109.10140	15.3
111.08089	4.7
114.84865	1.8
115.05476	2.2
115.07575	8.6
117.01849	2.1
117.03407	2.8
119.08581	25.2
121.10146	30.6
123.08080	12.9
123.11697	6.4
125.06035	2.3
125.09659	4.3
127.03916	24.5
127.07581	4.5
129.01863	2.6
131.08551	17.4
133.10123	100.0
135.08026	10.5
135.11691	6.3
137.09589	5.5
138.82516	2.1
139.11214	4.4
143.08545	2.5
145.02850	7.1
145.04985	6.5
145.06564	2.8
145.10143	7.9
147.11676	37.9
149.09659	3.1
149.13281	8.7
151.03900	66.3
151.05008	7.2
151.07576	2.7
151.11142	4.0
153.09116	18.1
158.10950	4.4
159.02922	4.6
159.08020	2.6
163.03906	2.8
163.11249	2.3
163.14851	8.3
165.05502	3.3
165.12747	10.1
167.14369	2.9
171.10202	6.3
173.13245	51.5
175.07578	2.5
175.14812	14.2
177.05461	12.8
182.07288	4.7
187.80174	2.0
191.14296	78.5
193.15761	2.6
197.09644	7.3
199.11130	6.9
207.14018	2.6
209.15355	87.2
210.15698	2.4
213.03912	2.4
225.09103	15.4
227.10620	14.5
227.16403	67.1
228.16731	2.3
231.04991	5.8
269.11490	3.4
381.56985	2.3
475.15656	6.3
475.21811	3.4
475.32452	45.2
476.32748	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	2.8
55.05495	3.1
57.03423	2.7
57.07069	1.1
61.02903	0.8
65.03928	2.6
67.05493	3.5
69.03433	8.2
69.07066	2.0
70.58072	0.9
70.58410	1.4
71.04980	3.4
72.11367	0.8
73.02938	1.0
79.05476	1.8
79.21899	0.8
81.03413	5.0
81.07062	4.9
83.04956	2.3
83.08614	2.7
85.02903	15.0
85.06500	1.0
87.00818	7.4
91.05470	5.4
93.07047	5.0
95.04967	19.8
95.08617	4.4
97.02894	5.1
97.06516	8.8
99.04462	8.2
99.08060	1.0
105.01874	6.1
105.04478	1.1
105.07012	7.7
107.04958	1.9
107.08580	8.2
108.02084	3.6
109.02870	4.0
109.06522	11.0
109.10165	5.2
111.04393	1.3
111.08064	2.3
115.07568	1.1
117.07121	0.8
119.08578	4.7
121.06479	1.2
121.10137	9.9
123.04390	2.6
123.08050	7.2
123.11666	1.6
124.96204	0.8
125.09575	1.5
126.98382	0.8
127.03888	6.6
131.08543	4.6
133.02847	1.2
133.10129	19.6
135.08076	2.7
135.11678	2.8
139.11143	2.8
141.05434	3.6
145.02838	1.0
145.04922	3.3
145.06462	1.0
145.10092	2.4
147.11685	12.0
149.13234	3.4
151.03905	100.0
151.05013	11.2
151.11177	1.3
152.04225	2.9
153.09096	12.0
158.10849	1.3
159.02870	1.6
163.03900	6.2
163.14853	2.4
165.12752	6.1
168.71260	1.0
171.10187	1.2
173.13245	8.5
191.14284	22.3
191.64192	0.8
199.11084	1.6
206.69368	0.8
207.13768	3.3
208.96722	1.0
209.15355	38.2
210.15678	1.2
212.08360	1.3
225.09090	5.5
227.10680	5.7
227.16396	38.0
228.16727	1.5
299.34836	0.8
313.07104	1.4
475.16165	1.9
475.21384	2.9
475.32468	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	475.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
55.05502	0.1
57.03434	0.4
67.05492	0.2
68.05025	0.2
69.03425	0.3
69.11895	0.7
74.09733	0.1
79.05503	0.1
80.05000	0.3
81.07040	0.2
81.64699	0.1
82.02933	0.1
82.06564	0.1
83.04958	0.1
84.04503	1.1
84.08117	0.1
85.02898	0.4
86.09679	0.2
88.50867	0.1
91.05467	0.3
93.07029	0.3
94.06551	0.1
95.04968	0.2
95.08593	0.3
95.55894	0.1
96.04481	0.8
98.22609	0.2
105.07014	0.3
106.06538	0.3
107.04995	0.1
107.08585	0.3
108.08081	0.1
109.06484	0.2
110.06026	0.8
113.22393	0.1
114.05527	0.1
119.08572	0.4
120.08095	0.2
121.06432	0.1
121.10127	0.1
122.05987	0.1
123.08069	0.2
127.07595	0.1
128.06226	0.1
129.06731	0.1
130.04985	0.5
131.08542	0.3
133.10138	0.4
134.05997	3.0
135.08061	0.2
135.11667	0.2
136.07574	0.4
136.19637	0.1
137.09610	0.2
138.05507	0.9
138.09151	0.4
140.07047	0.1
142.04988	0.1
143.08559	0.4
145.10141	0.3
147.04402	0.4
147.08038	0.3
147.11696	0.3
148.07500	0.4
149.09595	0.3
150.05505	0.1
152.07187	0.1
156.06561	0.3
156.09369	0.2
157.10103	0.5
159.08070	0.2
159.11661	0.5
161.09563	0.5
161.13243	0.2
162.05499	1.0
163.03957	0.1
163.11191	0.1
165.06937	0.1
166.05098	0.1
167.08501	0.1
169.10114	0.3
171.08046	0.1
171.11668	0.8
173.09616	0.2
173.13315	0.1
174.98811	0.1
175.11166	0.4
176.07124	0.1
176.10716	0.4
179.08415	0.1
180.06546	1.4
181.04944	0.3
181.06477	0.1
181.10149	0.3
182.10789	0.1
183.08012	0.1
183.11790	0.2
185.09616	0.2
185.13297	0.4
187.11176	0.3
189.12704	0.5
193.10103	0.1
194.08131	0.3
194.10875	0.1
195.11737	0.3
197.13118	0.2
199.11180	0.3
199.14832	0.3
201.12703	0.1
203.10687	0.2
203.14279	0.1
204.10165	0.2
205.18279	0.1
207.11673	0.1
208.06047	0.9
209.09644	0.2
209.13290	0.4
211.11160	0.2
212.12070	0.2
213.09286	0.1
213.12766	0.5
214.13571	0.7
215.14070	0.2
222.07660	0.2
222.11308	0.5
223.11232	0.1
223.14850	0.2
225.08676	2.0
225.12810	0.2
227.14293	1.0
228.14748	0.1
232.12560	0.1
236.11928	0.1
237.12723	0.3
241.12213	0.3
242.11798	0.1
245.15407	0.3
247.14575	0.1
250.13348	0.2
251.14189	0.2
253.15753	0.1
254.15384	0.3
255.13901	0.2
260.12766	0.2
263.16464	0.8
264.11597	0.1
265.15775	0.5
267.09665	0.2
272.16589	0.2
275.14224	0.2
282.15048	0.1
282.18524	0.1
283.16974	0.1
288.12238	0.1
292.16895	0.3
293.15256	0.7
296.16461	0.1
301.17969	0.4
306.13373	0.2
310.18018	0.7
311.16141	0.1
320.19870	0.2
326.17236	0.1
328.19028	0.9
338.17593	0.2
342.17206	0.1
346.20029	0.6
348.19537	0.7
356.18484	0.2
366.20633	0.5
376.18982	0.4
384.21671	0.3
394.20074	1.1
395.20776	0.1
412.21146	2.2
422.19870	0.2
430.22168	1.0
439.22260	0.2
440.20724	0.7
457.23257	2.2
457.31134	0.6
458.21869	0.4
475.32474	100.0
476.25790	0.2
476.32794	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	475.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.0
57.03438	13.5
62.77304	6.5
67.05507	47.9
69.07070	17.3
69.64124	23.1
71.50329	5.7
77.53657	6.5
79.05486	9.0
81.07063	40.7
83.04974	28.5
83.08605	9.5
91.05463	13.6
93.07049	26.9
95.08623	49.0
98.98461	17.4
105.07057	12.6
107.08595	18.4
109.10154	22.6
113.00017	100.0
119.08597	7.1
121.10180	18.9
123.11711	9.2
131.08620	8.4
133.10110	10.0
136.99991	18.1
155.01051	14.4
169.02602	47.2
187.03677	14.6
211.03763	7.3
289.25180	19.3
339.28989	11.6
345.27899	16.3
354.21497	6.0
363.29044	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	7.1
59.10405	5.3
65.32076	5.6
69.07079	8.2
69.61917	12.5
69.62325	14.6
70.06576	11.3
72.08142	12.6
72.73482	7.4
79.05479	11.0
81.03416	6.6
81.07027	11.4
85.02920	9.2
91.05473	16.8
93.07034	18.3
95.04955	6.9
95.08609	21.1
97.02892	7.3
105.07027	47.7
107.04964	7.7
107.08594	22.7
109.10178	6.1
114.10286	10.7
119.08589	67.2
123.04435	7.9
133.10124	68.2
135.11684	44.6
147.04288	6.3
147.11632	7.6
151.03860	7.9
152.31348	5.9
163.03917	6.3
164.04216	6.3
175.14807	100.0
181.04950	11.5
182.47250	5.8
193.15880	16.2
203.62456	6.5
335.00345	7.4
476.20038	14.5
476.26559	8.0
476.32651	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	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24197	2.3
62.38921	2.4
69.03418	4.7
69.07059	8.4
69.34066	13.4
70.06597	4.7
73.02882	2.7
75.06986	2.3
77.53992	2.6
81.03446	3.5
81.07085	3.7
83.08598	2.5
85.02915	14.3
86.09694	3.0
87.00802	3.6
89.10847	2.3
91.05479	8.5
93.07022	5.0
95.08599	7.9
97.02892	6.7
98.23444	4.9
105.01864	3.4
105.07017	7.3
107.08611	3.5
107.62122	2.2
109.02882	5.6
109.10174	4.0
119.04935	7.5
119.08558	29.1
120.08028	2.2
120.70679	2.1
121.10169	3.6
127.03913	5.6
133.10136	24.7
135.11694	2.8
145.04956	2.9
147.04391	41.7
147.11659	6.1
163.03894	6.8
164.04340	2.5
175.14795	100.0
181.05075	2.2
193.15858	4.8
215.65407	2.4
221.15907	2.3
231.04774	3.4
320.15695	2.4
389.79449	2.7
431.23074	2.5
476.32837	13.0
488.10931	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	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.2
57.07080	2.6
59.04994	1.0
67.05497	6.7
69.07069	6.1
70.90708	1.0
79.05505	2.3
81.07072	5.9
83.08625	1.2
85.06524	1.6
90.56198	0.8
91.05490	6.5
93.07028	4.7
95.08608	19.9
103.05424	0.9
105.07024	12.8
107.08562	4.5
109.10152	25.6
117.07051	1.5
119.08575	43.1
121.10135	3.1
123.08062	1.2
131.08626	0.8
133.10126	54.3
135.11690	8.3
137.09616	8.4
145.10136	2.6
145.16051	0.8
147.11671	13.2
149.13252	3.3
149.15187	0.9
151.14867	4.0
160.12512	1.7
173.13306	0.9
175.14818	100.0
176.15215	4.2
193.15877	26.9
272.36505	0.9
326.52939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01907	2.1
53.03939	2.7
55.01873	2.9
55.05515	5.2
57.03450	3.0
57.53210	2.0
61.02946	2.0
65.17617	2.5
67.05492	4.5
69.03416	10.4
69.07066	9.1
69.09755	2.2
69.42615	6.2
69.43009	3.8
71.04986	5.6
79.05506	3.4
81.03416	5.9
81.07055	10.6
83.08604	5.2
85.02911	25.6
87.00822	14.3
87.88345	2.2
90.83302	2.0
93.07056	8.2
95.04952	3.5
95.08616	13.3
97.02888	9.9
97.06530	22.7
99.04448	5.3
105.01881	10.9
105.07055	8.1
107.08550	11.6
109.02890	7.9
109.06493	14.6
109.10172	6.7
111.11727	2.4
115.07613	2.5
116.08901	2.4
119.08578	14.8
121.10110	5.5
123.08099	11.9
123.11687	11.3
127.03901	14.2
133.10120	30.8
135.11671	21.4
137.09619	7.0
138.12856	2.7
145.04956	6.1
147.11659	4.5
149.13264	17.3
159.02921	3.7
175.14816	49.0
193.15872	84.0
211.16920	100.0
212.17302	4.5
229.12254	9.2
231.97368	2.2
253.18016	4.0
305.11859	4.3
414.16956	7.3
458.15765	4.1
476.16476	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.07737	0.8
55.01860	1.8
55.05502	3.8
56.09493	0.8
57.03431	1.1
59.53694	0.9
61.02911	1.5
67.05501	2.2
69.03417	7.1
69.07056	4.3
69.20336	5.6
70.36804	0.8
71.04987	2.5
73.02916	2.0
75.00741	0.9
79.05485	2.5
81.03410	7.2
81.07058	7.4
83.04989	1.3
85.02897	15.7
85.06527	1.5
87.00813	8.1
87.41058	1.0
91.05457	5.3
93.07033	11.5
95.04990	2.0
95.08585	5.3
97.02871	7.7
97.29836	1.0
99.04449	3.0
105.01854	11.5
105.07021	13.7
107.08578	26.5
109.02863	6.1
109.06519	1.4
109.10143	8.3
115.02079	0.9
119.08568	25.3
121.10136	3.7
123.11684	4.3
127.03908	11.3
129.01778	1.1
130.04959	0.9
131.08557	2.0
133.06444	2.1
133.10112	36.0
134.10385	1.2
135.11676	52.2
136.12032	1.2
137.09619	1.2
145.04912	5.0
145.10149	3.3
147.11659	6.8
159.02892	3.4
159.11682	2.5
160.12506	1.4
165.12817	1.9
173.13219	1.6
175.14801	100.0
176.15154	3.0
189.09067	1.4
193.15881	12.5
198.05803	1.4
199.11151	1.3
227.10664	2.3
231.05060	2.6
236.52151	0.9
245.11732	4.1
249.06027	3.8
302.49222	0.9
476.32892	1.7
477.17670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.0
55.01865	11.9
57.03434	6.9
65.03932	4.3
67.05506	8.7
69.03430	16.9
69.07045	2.3
69.67485	4.9
70.06577	10.2
71.04975	1.9
71.60064	1.5
79.05485	8.9
80.05000	4.3
81.07040	5.3
82.02924	3.1
82.06560	5.9
83.04986	3.0
84.04509	2.0
85.97465	1.5
86.06057	41.6
87.04467	21.6
91.05472	11.3
93.03387	5.9
93.07030	8.8
94.06574	1.6
95.04973	7.0
95.08606	5.2
96.03951	1.4
96.04476	8.0
96.08131	3.1
98.06049	41.0
98.22764	3.0
100.48524	1.4
105.07024	12.2
106.75911	1.7
107.04929	1.6
107.08592	13.1
108.04468	8.6
108.08099	17.6
109.06509	5.8
109.10124	4.0
110.06031	42.4
112.07587	4.1
114.05592	1.9
117.07008	5.7
119.04951	2.9
119.05792	1.4
119.08566	14.2
120.08103	2.0
121.06490	10.2
121.10143	9.2
122.06010	3.9
122.09643	4.9
123.08073	3.8
123.11721	2.1
124.07573	12.2
128.06252	3.6
129.06961	5.7
131.08569	11.3
133.06529	3.5
133.10120	12.2
134.09645	2.0
135.08051	6.9
135.11684	2.5
136.07558	71.5
137.09633	4.4
138.05479	14.1
138.09135	2.3
141.07001	3.0
142.07773	1.7
143.07567	1.5
143.08493	8.2
144.09323	1.5
145.06474	2.3
145.10088	10.2
147.08026	4.9
147.11667	3.8
148.07581	3.7
149.09625	2.9
150.05515	2.5
150.09129	72.9
151.09451	1.7
151.11113	3.1
152.07051	59.5
153.62521	1.4
154.07736	1.7
155.08521	3.5
156.09305	3.1
157.10152	10.9
158.10854	2.5
159.08064	7.4
159.11667	9.9
161.05960	2.5
161.09627	4.6
162.09105	1.6
163.11179	5.6
164.07053	100.0
165.07050	2.4
165.12750	3.6
167.08508	3.6
168.06528	5.7
169.10110	7.7
169.42290	1.5
170.10796	1.7
171.11725	6.8
173.09599	5.4
173.13263	8.3
175.11211	2.0
175.14844	2.3
177.12758	3.3
178.08614	44.5
179.08757	2.2
181.10103	6.4
182.08116	20.4
182.10817	3.9
183.11653	11.4
185.09595	4.8
185.13222	4.3
187.11188	5.7
187.14735	2.1
189.09090	1.6
189.12839	1.8
191.14293	3.1
193.10124	2.3
194.08145	2.3
194.83603	1.7
195.11670	6.8
196.09682	43.8
196.12482	6.3
197.09796	3.6
197.13258	13.0
198.14093	3.8
199.11218	3.8
199.14803	1.8
201.12698	5.8
203.14320	2.6
204.06544	6.3
205.10188	1.8
206.08095	14.8
206.11171	2.4
207.11604	6.8
209.09584	1.5
209.13229	3.4
211.11263	2.6
211.14790	22.4
212.03206	1.9
213.12709	2.2
215.14281	4.2
216.15065	2.3
218.11856	1.9
219.11610	1.7
220.12505	3.4
221.13245	6.7
222.07678	2.9
223.11180	2.9
223.14854	3.5
224.09146	92.7
225.09425	2.1
225.12828	3.1
226.12183	1.8
229.12274	1.8
229.15750	6.8
233.09464	2.0
234.11230	2.9
234.13989	3.6
235.11211	2.3
237.12804	2.1
239.14270	7.4
239.18082	2.2
244.13211	2.6
246.11166	2.0
247.16878	4.1
248.12440	2.4
249.16389	13.2
251.14250	1.7
252.12297	4.1
254.11803	2.1
259.14694	1.7
262.13696	1.9
266.13846	2.3
267.17456	9.1
270.14798	2.3
272.12860	4.3
274.14386	2.0
277.15836	18.1
285.18411	3.4
288.15860	4.7
290.13834	41.5
295.16742	6.9
314.20871	1.7
324.19525	4.2
326.17422	4.3
328.19113	2.6
334.21619	1.5
342.16919	3.7
342.20618	9.0
352.22583	4.8
360.21643	3.0
362.20905	7.3
370.23541	4.3
380.22104	22.6
398.23178	46.8
399.23392	2.4
416.24255	97.8
417.24643	4.6
434.25522	2.2
476.26215	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05260	1.1
55.05508	11.9
57.03437	5.6
57.07064	1.1
62.06085	38.9
65.03929	2.1
67.05501	40.9
69.01052	0.7
69.07068	11.4
71.04980	1.3
71.42533	0.6
71.42955	0.8
79.05486	26.5
81.03413	2.0
81.07053	33.1
83.04982	1.7
83.08608	4.2
85.05268	0.9
85.06541	1.2
91.05476	14.1
93.07037	26.7
95.04953	2.8
95.08601	24.1
97.06528	1.4
97.10149	1.5
98.06057	4.0
98.98463	14.4
100.76571	0.7
105.04536	1.1
105.07029	9.2
107.08585	13.5
109.10139	8.7
111.08106	1.4
117.07020	2.7
119.08575	7.2
121.10146	10.6
123.11706	3.0
124.01578	1.3
124.07653	0.7
131.08580	4.6
133.10112	6.9
135.11658	5.3
137.09685	1.2
137.13193	0.9
142.02641	2.6
145.10094	3.6
146.11792	1.0
147.11658	3.6
149.13235	3.1
155.01070	3.0
159.11703	2.7
161.13229	2.5
163.11331	0.8
163.14798	1.6
173.02121	2.4
173.13272	2.5
175.14923	0.9
187.14798	1.3
198.05319	2.0
205.09195	0.8
216.06239	4.4
222.18434	1.1
223.20155	0.8
243.21115	2.4
261.22076	7.9
299.60977	0.7
304.26321	31.8
305.26620	1.1
317.24698	1.6
335.25781	100.0
336.26181	6.1
402.44370	0.8
415.22260	1.3
458.26303	3.4
476.28030	1.3
482.14099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03934	1.1
55.01860	0.5
55.05509	9.0
57.03434	8.3
57.07061	0.9
60.81024	0.2
62.06094	0.5
65.03937	1.3
67.05499	32.9
68.05840	0.4
69.03423	0.4
69.07063	8.4
70.57082	0.4
70.57410	0.5
71.05006	0.6
77.03926	0.6
79.05488	17.5
81.07050	28.7
82.07392	0.3
83.04955	0.9
83.08611	2.9
85.06530	0.7
85.72348	0.3
91.05476	8.1
93.07039	18.8
94.07402	0.4
95.04967	2.1
95.08598	20.9
96.08932	0.2
97.06552	1.4
97.10172	0.9
98.06039	0.5
98.98460	0.8
99.08070	0.5
105.04514	0.8
105.07017	4.8
107.08584	7.1
107.09259	0.5
109.06497	0.6
109.10146	7.3
111.08104	0.4
117.07001	1.1
119.08572	3.4
121.10135	6.4
123.08064	0.3
123.11705	2.2
124.01593	0.7
131.08549	2.4
133.10124	2.0
134.41138	0.2
135.11673	3.3
137.09641	0.3
137.13283	0.4
145.10094	1.5
147.11650	1.6
149.13226	1.2
159.11731	1.0
161.13269	1.0
163.14772	0.5
173.13266	1.1
175.14885	0.3
187.14850	0.4
216.06342	0.8
222.44617	0.3
234.03087	0.3
261.22214	0.9
304.26260	2.4
304.62213	0.3
335.25769	100.0
336.26138	5.3
355.22787	0.3
396.34015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
67.05516	0.7
69.03424	3.0
69.45132	1.5
76.82961	0.4
77.00600	0.6
79.05490	2.4
81.03407	1.8
84.04495	0.5
85.02879	1.7
89.03909	6.5
91.05481	0.9
92.49060	0.4
95.01585	1.2
95.04942	0.8
97.02319	0.8
97.02886	5.9
100.07603	1.3
107.04958	4.9
107.95229	0.5
109.02849	0.6
115.05468	0.6
117.03371	8.5
119.04933	0.9
123.04423	7.5
127.03889	1.0
135.04408	22.3
137.02347	1.3
137.05989	3.3
145.02837	10.9
145.06561	0.8
146.75931	0.4
147.04460	1.3
151.03912	1.0
153.05472	3.9
161.05992	0.7
161.62198	0.5
163.03893	100.0
164.04301	2.6
175.07600	0.8
177.05492	0.6
181.04926	1.6
187.07559	0.6
191.30261	0.5
197.05913	0.7
199.11110	0.8
203.06969	0.5
215.07018	1.0
227.10660	2.9
243.06593	0.6
272.08878	0.9
325.09128	2.7
347.30634	0.6
459.12231	0.6
468.90112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1735
Annotation	7-Acetoxy-8-hydroxylophotoxin
Peak:m/z	Relative Intensity
65.03926	1.1
67.05518	1.0
69.54580	4.4
85.02919	2.5
107.08607	1.4
108.67403	1.2
109.02859	1.4
112.76925	1.2
151.03922	9.9
151.05089	2.0
163.03912	1.9
181.04939	8.8
186.64003	1.2
213.12721	1.3
227.10704	4.4
229.12270	6.3
255.31175	1.0
286.04773	3.7
301.07117	4.5
314.75528	1.2
476.32635	1.7
477.17361	100.0
478.17789	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	477.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01871	1.8
55.05499	1.2
57.03434	0.7
61.02912	0.9
66.53181	0.3
68.99787	0.7
69.03425	5.6
69.25694	0.7
69.26095	1.3
71.04977	0.5
73.02898	1.1
76.44861	0.3
81.03417	6.8
83.04975	4.4
85.02905	8.9
87.00821	4.6
89.66068	0.3
91.03933	0.5
91.05491	0.9
93.07040	0.9
97.02892	4.6
97.19807	0.3
98.22685	0.6
99.04418	2.1
103.03955	0.3
104.13401	0.4
104.54880	0.3
105.01861	2.1
105.07015	1.2
109.02863	5.0
115.05450	0.4
115.94185	0.3
117.01805	0.6
117.07022	0.8
119.08572	2.6
121.06504	1.0
127.03916	7.0
128.06227	1.6
129.01808	0.6
129.07010	0.7
131.08545	0.5
131.46111	0.4
133.13840	0.4
135.04419	1.8
135.08044	0.5
137.38179	0.3
142.07762	0.6
143.08575	0.9
145.04933	1.7
145.06490	2.0
145.09988	0.4
147.02835	0.4
147.08006	1.9
155.08597	0.6
159.02864	2.6
159.08058	2.5
159.11606	0.4
161.06000	1.0
168.01295	0.3
168.09331	0.5
171.08070	0.9
172.08813	0.7
173.06027	0.6
173.09721	0.6
175.07564	0.5
181.06412	0.5
183.07996	0.8
183.11885	0.4
185.09592	0.5
186.02266	0.3
186.10400	1.2
187.07520	0.7
187.11115	1.1
189.09100	1.5
195.07999	0.6
196.08826	2.3
199.07539	6.0
199.11156	1.4
201.12694	0.7
211.11172	4.2
213.09090	0.9
213.12701	3.6
214.09805	0.6
226.05321	0.5
229.12225	100.0
230.12521	4.4
231.05075	0.6
239.10733	0.4
241.12184	0.6
334.51321	0.3
391.17606	0.5
417.76312	0.3
433.18469	2.4
453.38153	0.4
477.17465	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	477.246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54598	0.3
55.29700	0.3
58.11749	0.3
59.86240	0.3
67.05466	0.4
69.58938	1.4
72.43428	0.3
79.05508	0.4
81.03423	0.3
91.05399	0.3
105.07005	0.4
107.08569	0.3
108.31396	0.3
142.55281	0.3
172.63266	0.3
179.71834	0.4
185.04201	1.5
192.84254	0.3
195.32668	0.3
200.69379	0.4
315.19281	100.0
316.19641	5.2
348.77557	0.4
477.24576	61.9
478.24969	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	477.2461
Annotation	BAY-60-7550
Peak:m/z	Relative Intensity
55.05502	1.5
67.05491	1.1
69.07068	0.5
69.58065	1.2
69.58455	1.2
79.05482	2.0
81.07053	2.6
84.91192	0.5
91.05468	1.4
93.07057	0.7
95.04966	0.9
105.07043	1.0
107.08579	1.5
109.06489	0.6
109.10150	0.8
119.08599	0.9
123.11745	0.6
125.09619	0.6
129.07011	0.8
131.08537	0.7
133.10156	0.6
155.08542	0.6
173.13219	0.7
177.04453	0.6
202.14844	0.4
227.12766	0.7
385.23834	0.8
399.21362	13.5
400.21576	0.7
417.22382	3.1
459.23462	41.4
460.23999	2.5
477.24509	100.0
478.24860	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34869	0.6
53.03926	1.3
53.50775	0.6
55.01859	1.9
55.05486	0.9
64.61206	0.7
67.05495	2.3
69.03419	2.1
70.06573	0.7
71.44352	0.9
73.02864	1.0
79.05480	7.6
81.03405	3.5
81.07047	5.7
83.04947	0.7
85.02894	6.9
87.00821	3.1
91.05479	4.0
91.38782	0.8
93.07032	10.9
95.04985	1.0
95.08595	1.9
97.02888	4.6
97.06483	0.9
99.04433	1.4
105.01830	3.7
105.07024	2.5
107.08597	5.6
109.02882	2.7
109.06522	4.5
109.10146	1.0
111.32614	0.8
115.05457	1.7
117.07017	4.1
120.05703	1.4
121.06464	1.8
121.10129	0.8
125.05984	0.8
127.03922	5.2
127.04721	1.0
131.08575	1.3
133.06499	1.1
133.10089	2.7
135.08038	100.0
135.11662	11.9
136.08372	2.0
145.04968	2.7
147.08002	0.9
149.13248	1.4
153.09084	11.5
159.02888	1.8
159.11638	1.1
161.09641	1.1
167.59119	0.8
177.12749	3.0
177.16370	1.2
189.03999	0.7
191.91939	0.7
195.13754	7.9
212.15321	0.7
213.14832	8.8
215.10771	0.8
231.05019	1.5
326.01724	0.8
365.12335	0.9
383.13226	2.3
435.19623	1.1
478.17120	7.0
479.18759	2.9
479.30167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
57.03431	40.4
60.04512	2.5
61.02926	11.7
67.05481	2.1
69.03062	3.1
69.03423	39.4
69.07040	1.6
70.06569	2.1
71.01339	4.9
71.04990	2.2
73.02911	100.0
73.79717	1.3
79.05484	6.9
79.90628	1.4
81.03405	6.9
81.07034	1.7
82.93905	1.5
84.04496	2.9
85.02898	56.7
87.04451	2.6
91.03927	1.7
91.05473	3.5
93.07044	20.1
95.08578	9.4
96.04504	1.6
97.02885	64.6
98.22607	2.8
99.04460	1.7
100.11271	3.2
100.54098	1.6
105.07005	2.1
106.19769	1.3
107.08560	1.9
109.02851	7.3
111.04423	3.2
115.03928	54.0
121.10124	28.1
123.04384	1.6
125.06049	1.7
126.05490	2.5
127.03899	21.0
127.39742	1.6
129.06969	1.6
131.08543	6.7
132.06538	3.4
133.04935	12.7
135.08040	3.6
140.10643	2.0
144.06508	9.9
145.04948	18.1
149.09604	33.2
150.07587	4.5
162.07611	6.2
163.05988	4.9
163.07396	3.0
167.09229	2.8
167.10667	59.0
180.08633	6.3
182.06276	1.5
196.13255	2.1
197.24074	1.6
211.11145	2.1
223.05974	3.7
229.12135	8.8
230.12517	6.0
241.07042	6.1
242.52502	1.5
245.11687	1.9
259.08170	2.4
279.63599	1.8
294.11642	2.5
451.77393	1.5
478.17529	5.1
478.31174	2.6
479.13971	2.2
479.35226	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.01868	1.8
55.05510	9.8
57.03431	2.0
65.03966	1.0
67.05504	5.6
68.10402	1.0
69.03433	9.1
69.07059	13.0
71.01172	1.0
71.04982	5.2
71.07409	0.9
71.32172	1.1
73.02907	1.2
74.94010	1.2
77.03950	1.6
79.05495	11.9
81.03410	3.0
81.07054	12.0
83.04977	20.8
85.02906	7.5
89.03917	2.1
91.05467	18.4
93.07038	33.3
95.04963	4.8
95.08597	8.9
95.45107	1.0
96.76386	1.0
97.02889	3.0
97.06522	17.9
99.04459	1.8
101.06021	1.3
103.05452	2.2
105.07026	59.5
107.04943	1.9
107.08586	19.0
109.06525	5.1
117.03395	1.0
117.06998	5.2
119.08571	39.7
121.06503	2.0
121.10137	33.6
123.08076	1.4
125.05978	34.1
127.03972	2.5
128.06232	2.2
129.05478	3.1
129.07010	4.4
130.07774	3.0
131.08571	10.7
132.09427	1.3
133.10123	19.5
133.11040	1.9
135.04443	1.5
135.07977	1.7
135.11708	4.6
137.05946	2.0
139.07599	5.1
142.07764	6.5
143.07042	37.8
143.08559	12.9
144.09286	2.3
145.10124	25.6
147.11678	100.0
148.11971	1.7
149.09607	4.5
151.07510	2.0
153.05598	1.2
153.06927	1.2
156.09349	3.1
156.85860	1.3
157.10114	29.1
158.10730	1.4
159.11705	13.7
161.09648	1.5
161.13246	1.4
163.03905	9.1
163.07518	1.8
163.11102	1.7
165.09071	1.8
169.08640	2.5
169.10115	1.5
170.10873	3.7
171.11693	3.8
173.13278	2.2
175.11197	1.7
175.14870	4.6
177.12993	1.3
183.11690	1.7
185.13258	24.4
187.14763	1.4
191.10623	1.5
199.14795	11.0
201.16391	1.9
203.10631	4.6
203.14224	7.1
205.12247	3.4
209.13237	1.4
217.12366	1.2
217.15933	2.4
219.13786	2.9
219.17525	1.7
227.14307	3.9
245.15363	51.1
246.15834	2.1
247.16968	3.4
263.16418	30.5
264.16663	1.7
329.17542	1.0
389.19757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.8
67.05496	6.4
69.03431	11.0
69.07068	12.4
69.29501	22.1
70.13029	3.6
71.05007	7.7
78.56470	4.0
79.05491	15.1
81.07056	13.6
83.04956	18.8
85.02914	5.3
86.55193	3.3
91.05453	22.2
93.07045	38.6
95.08602	9.4
97.06506	14.0
105.07024	63.9
107.08587	25.4
111.11768	4.1
117.06973	7.0
119.08575	39.5
121.10130	38.9
123.82697	4.2
125.05981	31.3
129.07050	4.1
131.08560	14.8
133.10138	15.8
135.11688	7.0
139.07588	8.3
142.07770	5.2
143.07043	44.1
143.08539	11.8
145.10144	26.6
147.11673	100.0
149.09621	3.9
157.10127	30.0
159.11687	14.3
163.11107	4.2
171.11571	5.3
175.14816	4.6
185.13222	20.3
199.14789	10.6
203.14236	4.4
205.12190	3.9
214.97060	3.8
217.15921	5.0
227.14265	6.4
245.15361	52.6
263.16431	33.4
478.19284	10.3
479.19839	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	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.3
55.05511	12.2
57.03436	9.6
58.89000	4.8
67.05496	17.4
68.99792	4.6
69.03428	10.8
69.07062	14.5
71.04984	19.5
71.40647	5.1
71.42745	4.4
71.43456	4.6
73.89626	4.7
76.02254	5.4
79.05495	27.3
81.07055	50.5
83.04982	32.4
83.08593	14.8
84.04514	8.3
85.02892	13.7
91.05447	24.3
93.07036	58.5
95.04961	14.1
95.08614	36.9
97.06530	29.7
105.07030	78.1
107.04960	5.3
107.08592	31.8
109.06516	21.5
109.10177	16.8
111.08073	35.1
113.09632	6.1
117.07011	7.5
119.08546	55.7
121.06506	17.7
121.10104	26.2
122.02728	11.2
123.08076	20.4
125.06055	7.1
125.09612	8.4
127.03971	5.6
127.07562	48.1
129.09117	59.4
131.08582	15.9
133.10123	19.4
135.08083	32.8
135.11671	9.3
136.60104	6.0
137.05984	7.3
137.09593	12.2
139.07530	27.2
143.08575	12.0
145.10132	23.9
147.08052	11.6
147.11710	42.9
149.09555	13.2
149.13237	12.0
151.11203	6.8
153.09174	7.4
157.08601	16.7
157.10120	9.0
159.11700	16.4
161.13257	16.7
163.11224	16.3
173.05937	6.5
173.13300	4.6
175.14809	31.4
179.14279	11.0
185.13286	20.6
187.11078	8.2
189.12680	5.2
193.15840	28.3
199.14848	15.2
201.16342	18.0
203.14308	46.2
211.11194	18.0
217.15976	8.3
221.15361	65.7
227.14345	12.6
229.12212	34.8
230.12625	6.2
237.18448	35.6
239.16422	9.5
245.15384	51.7
246.15450	5.5
263.16403	100.0
281.17447	50.7
307.43271	5.8
350.14276	5.5
397.75391	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	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03958	1.2
55.01858	1.1
55.05269	0.7
55.05517	12.9
57.03442	5.6
57.07058	1.6
62.06089	31.2
65.03920	0.9
67.05504	34.4
67.05866	1.6
69.07069	17.6
70.58357	1.2
71.04985	0.7
71.08631	1.3
79.05489	10.2
81.07056	34.8
83.04971	1.1
83.08630	7.0
85.05301	0.9
85.06545	0.7
86.86721	0.6
87.11653	0.7
91.05480	5.2
93.07054	9.9
95.04958	1.3
95.08607	24.4
97.06528	1.8
97.10167	3.9
98.06052	3.9
98.98469	11.2
105.06454	0.7
105.07039	4.1
107.08582	6.9
109.06461	0.6
109.10157	9.4
111.08087	1.4
119.08603	3.8
121.10160	5.3
123.11684	3.6
124.01610	2.2
131.08557	0.8
133.10075	3.4
135.11674	3.6
137.09624	0.6
137.13263	1.5
142.02620	1.1
147.11655	1.0
149.13271	1.7
151.14789	1.0
155.01060	5.4
161.13284	1.7
163.14822	1.5
173.02148	2.0
175.14870	0.7
186.98497	0.7
189.16336	0.7
198.05296	2.7
210.67923	0.7
216.06303	3.2
237.62936	0.6
241.17545	0.7
245.22701	2.4
263.23648	4.4
306.27908	31.8
307.28302	1.0
319.26184	0.7
325.88785	0.6
337.27356	100.0
338.27719	5.0
460.28171	2.4
470.05698	0.7
478.29041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.06659	0.2
53.03931	0.5
55.01859	0.5
55.05511	12.5
57.03437	7.2
57.07083	1.6
62.06084	0.4
65.03931	1.1
67.05502	25.2
69.07066	15.1
69.07397	0.2
69.68670	0.6
71.04963	0.8
71.08620	0.9
72.83102	0.2
79.05044	0.4
79.05489	7.5
81.07054	25.8
83.04966	1.1
83.08615	7.4
85.06528	0.5
85.10191	0.2
91.05470	4.9
93.07040	7.1
93.17489	0.2
95.01528	0.2
95.04951	0.8
95.08602	19.4
97.06528	1.4
97.10168	3.5
98.06066	0.4
98.98455	0.4
99.08073	0.8
105.04474	0.3
105.07022	3.5
107.08582	3.4
109.06515	0.3
109.10155	7.1
110.10448	0.4
111.08070	0.9
111.11714	0.8
119.08576	2.3
121.10117	2.6
123.11708	2.9
124.01566	0.3
125.09655	0.4
131.08528	0.3
133.10112	2.9
135.11670	1.5
137.09648	0.3
137.13266	0.8
147.11670	1.8
149.13284	0.8
151.11136	0.3
151.14775	0.5
161.13261	1.1
163.14795	0.7
175.14749	0.6
198.05241	0.4
216.06305	0.8
245.22540	0.7
246.63414	0.2
263.23694	1.1
306.27914	2.3
337.27344	100.0
338.27692	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.11703	0.8
55.01868	0.9
55.05513	6.0
57.03421	1.1
60.74648	0.9
62.06084	2.9
66.75990	0.8
67.05502	8.4
69.07071	7.2
71.11147	0.9
79.05482	3.4
81.07053	11.2
83.08619	3.3
85.05304	1.5
91.05499	1.6
93.03548	0.8
93.07043	3.1
95.08605	5.6
97.10102	1.4
98.06046	9.0
98.98483	3.3
105.07045	0.8
107.08588	1.4
109.10149	1.4
112.07650	1.0
119.08603	1.6
121.10079	1.6
124.14197	0.9
124.93758	4.2
142.94838	2.8
149.02336	4.0
152.14836	0.8
154.12280	1.2
189.51584	1.1
193.05002	1.8
208.16895	1.1
250.59932	1.0
256.26395	1.7
306.27899	100.0
307.28207	3.8
337.27350	10.8
374.98434	0.9
388.47238	1.0
460.18991	1.3
478.20572	5.6
478.35068	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	479.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21199	0.7
66.00543	0.7
69.03413	0.9
70.95116	1.1
72.88484	0.7
75.96262	0.7
78.20132	0.8
79.05499	1.9
81.03401	1.3
81.97382	0.8
85.02876	1.8
86.09679	0.8
89.03907	8.9
93.05399	0.8
95.04958	1.6
97.02859	2.4
105.07038	1.5
107.04952	2.3
115.97475	0.7
117.03368	11.0
123.04330	1.0
135.04398	20.2
135.05357	1.3
136.07520	1.0
137.05956	1.7
145.02834	13.2
147.04378	1.5
149.05923	1.0
151.07536	1.0
157.06461	1.1
161.05975	3.1
163.03893	100.0
164.04214	2.3
165.05412	3.7
166.05849	0.8
167.06990	1.1
175.07573	2.1
175.24786	0.7
179.07005	2.5
181.04788	0.8
185.05939	0.7
203.07047	2.7
217.08463	0.7
220.75388	0.7
221.08087	1.2
245.08092	2.9
263.09122	3.1
280.84827	0.7
325.09274	1.2
478.33371	66.0
479.33633	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	479.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.1
69.36792	1.2
69.37175	1.0
79.05481	1.5
80.46065	0.5
81.03416	1.3
85.02893	1.3
89.03905	7.5
91.05463	0.7
91.11378	0.4
97.02890	2.8
99.04436	0.4
105.07017	0.8
107.04956	2.7
109.02872	0.5
109.52663	0.4
116.26418	0.4
116.98238	0.4
117.03381	10.1
117.07024	1.0
127.03913	0.5
129.06967	0.9
135.04404	18.6
137.05954	2.6
145.02844	13.9
145.03850	0.4
147.04376	0.9
149.05960	0.5
151.07513	1.6
161.05968	1.7
163.03889	100.0
164.04268	2.4
165.05470	2.6
175.07481	0.9
179.07037	1.9
181.04922	1.5
185.05893	0.6
189.05489	0.7
191.06958	1.0
197.11847	0.8
203.07054	2.2
217.08565	0.7
221.08051	0.8
231.60844	0.4
233.08176	0.9
245.08025	2.3
263.09225	2.3
265.07336	0.5
267.98428	0.5
269.08072	0.6
272.09296	0.5
325.09076	3.9
431.43335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	0.6
65.27073	0.5
68.20230	0.6
69.03420	1.2
69.29927	2.8
70.06595	0.6
77.55708	0.5
77.84859	0.5
79.05449	0.9
81.03391	1.3
81.34924	0.6
85.02898	1.7
89.03904	6.2
91.05440	0.8
91.17813	0.6
97.02878	2.7
98.22676	1.2
105.07037	0.6
107.04926	1.3
117.03362	6.6
117.07021	1.0
129.06987	0.9
135.04401	15.6
137.05963	1.8
140.88519	0.6
145.02823	10.9
151.07535	0.9
161.05965	1.5
163.03889	100.0
164.04272	1.6
165.05434	3.5
173.05920	0.9
175.07495	1.0
179.06995	1.5
181.04919	0.9
189.05396	0.6
203.06998	1.2
221.07941	1.2
229.12300	0.7
233.08099	1.1
245.08049	1.0
263.09097	1.2
269.08026	0.7
307.08072	1.1
325.09143	3.7
327.31662	0.6
334.30350	0.6
460.97476	0.6
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
50.28406	0.4
67.05503	0.9
70.00964	0.5
71.24703	0.4
79.05485	0.5
81.07036	0.5
83.04933	0.5
86.23747	0.4
94.32954	0.4
95.08605	0.6
97.06511	0.4
98.23611	0.9
107.08608	0.5
136.11824	0.4
152.14549	0.5
170.69662	0.4
203.05302	2.1
213.12427	1.0
227.05264	0.9
231.13617	1.0
245.06303	5.1
269.17490	0.7
271.04269	1.4
287.03738	1.9
289.05264	59.0
290.05603	1.2
293.85098	0.5
435.19867	7.9
479.18863	100.0
480.19211	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	479.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00300	0.4
56.75771	0.5
62.31133	0.4
69.03434	0.7
69.07059	0.9
69.49849	1.8
81.07031	0.4
85.02914	0.7
91.05482	0.6
93.07027	1.1
93.11861	0.4
101.75803	0.4
105.07005	0.5
107.08611	0.6
110.71683	0.4
121.06505	0.6
121.10202	0.6
127.03919	0.4
140.38187	0.4
143.85301	0.4
147.11665	1.1
155.00517	0.4
167.03265	0.4
173.13167	0.5
179.14214	0.4
191.14310	0.6
203.05228	0.8
204.56451	0.5
213.12561	0.8
227.05269	0.7
231.13591	0.6
243.04774	1.2
245.06357	4.9
271.04337	1.3
285.07861	0.4
287.03714	1.7
289.05267	6.4
317.06625	1.5
375.17493	0.5
393.18738	6.6
417.18814	4.0
435.19867	34.1
436.20480	1.7
461.17960	0.5
474.31818	0.5
479.18848	100.0
480.19095	5.3
480.40308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52943	1.5
55.05509	5.4
67.05512	10.0
69.07053	4.1
69.57383	6.1
79.05487	7.3
81.03400	3.9
81.07052	12.2
83.08604	3.6
85.02890	1.8
91.05492	4.9
93.07052	7.6
95.04958	3.1
95.08599	5.0
97.06555	1.9
105.07049	5.8
107.04935	2.2
107.08607	4.1
108.55199	1.6
117.07019	1.5
119.08595	4.2
121.10114	2.5
123.11704	2.5
129.06999	1.6
133.10143	1.8
135.11678	3.2
138.90724	1.6
145.10120	2.3
147.11681	2.7
149.13373	2.0
165.12764	1.8
193.12248	3.4
211.13391	1.5
287.03818	2.8
387.15533	6.7
419.18231	100.0
420.18668	6.9
428.28165	1.6
447.17953	3.3
461.28455	2.0
479.20413	53.5
479.29813	3.7
480.20932	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	479.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19841	0.4
60.33870	0.4
67.05473	0.8
69.50951	1.0
69.51337	1.1
81.07021	0.5
82.04948	0.4
84.30663	0.4
86.09661	0.6
91.13269	0.5
147.70906	0.5
173.06653	0.5
184.07307	2.2
185.04257	1.2
198.65453	0.5
317.20856	100.0
318.21234	3.3
356.17566	0.5
479.26135	72.8
480.26556	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	479.2616
Annotation	Pharboside G
Peak:m/z	Relative Intensity
53.68198	0.6
69.38518	3.3
87.79453	0.6
93.07027	0.8
95.96445	0.5
98.23518	1.1
106.59212	0.6
113.22083	0.6
122.90821	0.5
132.60542	0.6
185.02681	1.0
185.04207	16.6
207.13889	0.6
224.40701	0.6
227.64926	0.6
265.46146	0.6
266.51749	0.6
266.64142	0.6
299.19800	10.6
317.20844	78.4
318.21124	2.7
451.10150	0.6
479.26123	100.0
480.26358	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.0
57.03442	5.5
57.07069	13.2
67.05498	14.1
69.07072	9.6
71.07372	22.1
71.08616	7.3
71.43183	5.8
74.78179	5.1
79.05467	8.0
80.87418	4.5
81.07050	16.5
86.09705	82.7
87.10040	14.9
91.05451	6.4
93.07021	5.2
95.08591	8.7
98.98438	11.2
124.99988	24.6
136.75464	4.8
149.86719	5.2
163.01526	25.2
164.01823	5.1
184.07356	8.5
192.26332	4.8
297.16666	8.2
303.05042	7.2
330.65274	4.8
336.26129	6.5
339.29074	37.6
393.22382	10.6
410.79132	4.8
420.26025	6.9
422.97119	4.6
478.33115	16.9
479.27515	38.6
479.33252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78950	14.2
55.05524	25.2
56.72921	13.6
57.07059	13.8
67.05504	50.1
71.43140	15.8
79.05499	27.5
81.07049	33.5
83.08625	19.0
83.11912	13.2
86.09701	55.0
91.05456	22.6
93.07044	30.7
95.08585	22.2
95.98146	14.6
104.10748	58.8
105.07022	19.4
109.10189	17.3
113.00039	22.5
119.08566	16.1
119.40668	14.1
121.10164	18.0
124.93785	39.9
125.00027	29.4
142.94833	18.8
163.01425	16.0
184.07350	32.1
203.12042	15.8
228.00029	15.4
303.04993	20.2
325.83603	15.5
336.26196	85.2
339.28952	24.6
393.22479	43.2
479.21136	45.5
479.27896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
53.40929	4.3
55.01863	8.0
55.05510	56.1
57.03433	7.0
65.03941	5.9
66.11971	4.2
67.05502	86.7
69.07069	31.0
70.39519	9.6
78.12478	3.8
79.05490	76.6
79.58157	3.9
81.03419	9.2
81.07056	82.4
82.89116	4.4
83.04984	9.5
83.08619	37.0
85.06548	6.0
91.05473	90.8
93.07043	70.2
95.04964	18.0
95.08598	46.6
97.06527	15.5
97.10186	11.7
98.07014	4.6
99.08109	5.7
105.04523	6.9
105.07024	71.4
107.04956	8.9
107.08605	41.6
109.06519	14.4
109.10152	15.3
111.08122	6.2
112.70724	4.4
115.05443	7.7
116.06202	5.2
117.07014	65.3
119.08575	45.8
121.06512	12.6
121.10149	22.3
123.08036	9.9
125.09654	6.6
127.03822	4.2
128.06172	23.0
129.06998	72.8
131.08556	100.0
133.06500	15.0
133.10181	23.9
135.08090	10.9
135.11731	8.0
139.11125	5.2
141.06956	23.6
142.07776	5.4
143.08549	61.3
145.06476	14.7
145.10089	38.2
147.08049	14.8
147.11688	8.1
148.62634	4.5
149.09590	15.5
153.06947	8.4
155.08543	43.7
157.06496	7.0
157.10103	26.6
159.08012	11.5
159.11655	23.1
161.09610	7.4
163.11131	10.1
165.06999	9.1
165.12900	5.4
167.08531	16.9
168.09349	4.5
169.10161	21.4
171.11641	26.1
173.09676	7.0
173.13239	5.1
175.09702	6.7
175.11203	6.0
177.12750	9.4
178.90936	4.6
179.08553	10.7
181.10172	23.8
183.11668	16.4
185.13274	13.3
187.11180	7.9
193.10098	13.0
195.11728	30.4
196.11911	5.4
197.13223	11.1
199.11139	5.3
199.14807	12.7
201.12811	5.3
207.11792	9.1
209.13235	17.0
211.11177	6.8
211.14851	12.8
213.12762	7.1
215.14346	10.5
221.13187	16.3
223.14764	17.9
225.12666	6.4
233.13287	5.8
235.14842	13.2
239.14311	11.3
241.15889	7.7
253.15849	8.5
257.15411	10.1
271.16882	12.4
275.16534	5.5
285.18448	5.1
305.22427	6.1
307.18802	5.3
323.23663	14.3
333.22107	34.8
341.24808	15.1
351.23184	67.6
369.24255	58.0
379.77771	5.2
387.25037	29.3
443.27811	21.5
461.28894	30.7
479.25354	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01871	5.8
55.05506	38.1
57.03438	13.0
62.55158	2.4
65.03918	6.9
67.05502	73.4
69.03448	2.8
69.07070	34.6
71.04995	8.5
79.05489	69.5
81.03429	7.0
81.07052	79.2
83.04995	7.2
83.08602	26.5
85.06526	3.8
91.05474	100.0
93.07040	58.5
93.07605	4.8
95.04949	22.5
95.08612	37.6
97.06512	14.1
97.10175	8.3
99.08085	4.2
105.04519	5.5
105.07023	60.1
107.04954	19.2
107.08582	30.4
109.06516	8.5
109.10152	16.3
111.08091	8.8
115.05455	9.0
117.07013	61.3
119.08579	32.3
121.06523	14.6
121.10138	26.9
123.08057	7.2
123.11703	3.3
125.09634	5.7
127.89494	2.7
128.06203	16.8
129.06998	54.5
131.08559	81.3
133.06461	13.7
133.10115	24.0
135.08075	9.5
135.11722	8.5
137.09637	4.5
139.11147	7.0
141.06987	26.6
142.07777	8.3
143.08549	45.5
143.92397	3.4
145.06506	15.7
145.10092	34.3
147.08067	9.5
147.11719	11.1
149.09627	8.4
149.13271	6.9
153.07013	4.5
155.08549	30.4
157.06522	5.4
157.10101	26.6
159.08083	5.5
159.11711	16.5
161.09619	7.2
163.11218	7.8
165.07024	6.1
167.08583	11.0
169.10112	21.2
171.11723	14.1
173.09607	5.5
173.13304	8.3
175.11186	6.9
177.12767	9.0
179.08662	3.1
181.10133	14.3
183.11684	14.4
185.09612	8.1
185.13277	16.7
187.11339	4.3
189.12750	3.8
193.10146	9.5
193.12172	3.0
195.11707	14.5
197.13261	12.5
199.11182	3.8
199.14810	6.1
201.12685	6.0
205.12105	3.4
207.11618	3.1
209.13293	12.8
211.14836	6.2
213.12727	6.3
213.16440	3.1
215.14369	4.7
217.15953	4.0
221.13210	15.3
223.14807	17.0
224.00932	2.6
225.12680	4.1
225.16383	3.0
227.14276	8.3
233.13205	4.2
233.15303	7.0
235.14874	4.5
237.16441	4.5
239.14270	10.3
253.16016	4.5
254.16161	3.1
257.15387	9.4
259.16977	5.8
271.16977	9.5
275.16333	5.8
285.18845	3.0
303.04855	4.4
305.22485	3.8
315.20935	4.1
323.23755	7.9
333.22144	18.0
341.24710	14.9
351.23181	54.0
352.23486	5.0
359.25720	3.7
369.24252	72.1
370.24475	5.3
377.56253	2.8
387.25266	38.1
405.26260	6.2
420.81018	3.2
443.27682	21.5
461.29056	34.3
479.24481	5.9
479.31140	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	480.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05506	1.0
57.03426	0.9
59.20328	0.5
64.96672	0.5
67.05495	2.4
68.05827	0.5
69.07056	0.9
72.52986	0.6
79.05487	1.9
80.05844	0.8
81.07061	2.6
82.07357	0.9
89.40509	0.5
90.49565	0.6
91.05479	1.6
93.07047	1.2
94.06550	0.6
94.07396	0.7
95.04919	0.7
95.08616	1.7
96.08947	1.0
104.10709	0.8
105.07045	2.4
107.08561	0.7
108.04466	0.8
109.02890	3.5
109.10159	0.7
110.10460	0.5
110.74401	0.4
113.00027	2.8
114.85283	0.5
116.60333	0.4
117.06985	0.5
118.06613	0.5
119.04982	0.8
121.06508	1.9
121.10048	0.5
125.19051	0.5
128.06227	2.1
129.06989	0.7
135.04398	2.3
143.08565	1.0
145.06485	1.4
152.06357	0.7
154.77122	0.6
159.04431	0.6
159.08084	1.0
163.03894	1.5
163.43079	0.5
169.02621	0.7
171.08096	1.1
173.15045	0.5
181.08752	0.5
183.07950	0.8
185.06035	0.6
187.03688	0.6
198.06787	1.5
199.07520	4.4
207.06613	1.3
210.09114	0.9
220.07738	0.6
221.08359	1.9
224.10710	1.6
225.11343	0.5
227.07062	1.6
229.08437	0.6
234.09183	2.9
236.10721	2.1
237.07878	1.4
238.08780	1.2
248.10707	0.6
250.08592	0.9
251.09464	0.6
252.10266	1.3
253.10931	2.9
256.11398	0.7
260.10800	1.0
262.08557	1.2
263.09366	0.6
264.10156	5.4
272.10699	1.1
274.08685	1.6
274.12256	0.6
276.10141	0.9
277.11105	1.0
280.09567	2.7
284.10648	1.2
285.11563	0.8
287.09274	1.5
288.10205	2.3
288.13666	1.1
292.09799	0.7
297.11844	0.7
298.12329	1.8
299.12872	0.6
300.10480	1.0
300.13754	1.1
301.11005	1.1
302.11719	1.1
316.09729	0.9
316.13284	1.2
321.11340	0.9
322.12378	1.0
326.11841	1.5
327.12357	0.8
328.09644	0.7
329.10522	0.7
330.11411	2.8
332.12955	0.6
334.12247	1.0
335.13007	1.4
335.25754	2.0
336.13821	1.5
336.26123	5.5
337.11255	0.9
337.26367	4.9
338.11850	1.8
344.12762	2.3
348.13901	0.9
350.11987	0.9
351.12573	1.1
352.13626	2.8
353.14041	1.7
354.11063	0.8
354.14890	1.3
356.12704	0.7
362.11676	2.6
363.12616	0.7
364.13269	3.1
365.14285	1.0
366.11075	1.0
366.15143	0.9
370.14282	4.0
372.12677	1.4
375.12592	0.6
376.13367	1.9
377.14081	0.8
378.15063	1.0
380.12823	9.7
381.13501	7.3
382.14310	2.0
383.15063	1.2
386.11612	0.6
390.14941	0.9
391.15894	0.7
392.12518	0.8
393.13828	0.7
394.14459	3.6
396.15878	1.0
401.13712	0.8
402.14716	1.3
404.12820	1.0
405.13620	1.0
406.14359	0.7
410.13641	0.9
416.16586	1.3
418.14096	1.3
419.15295	1.0
420.15845	1.4
422.13846	1.2
424.15396	0.7
434.17392	4.0
436.15369	0.9
438.17047	1.2
444.16040	1.0
452.18555	16.3
453.18719	1.0
462.16974	3.4
477.29184	0.6
480.18030	100.0
481.18338	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	480.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
59.51088	0.7
60.93372	0.7
67.05509	0.9
69.38711	1.5
69.39127	3.3
70.06595	1.9
76.11732	0.8
86.09721	1.0
91.05482	1.3
98.09681	3.8
98.23438	1.9
104.10728	1.3
108.04504	1.1
109.02885	2.6
116.10735	4.4
118.06566	0.9
121.06541	1.8
128.06247	2.3
129.07001	0.9
132.10165	0.8
135.04425	3.5
143.08548	2.2
145.06549	1.8
146.11758	1.8
146.23970	0.8
147.04414	1.2
163.02600	1.4
163.03885	11.7
163.05090	1.4
166.69328	1.0
176.82954	0.8
184.07414	2.4
196.07344	2.3
198.06735	1.4
199.07565	3.7
200.11208	0.9
207.06546	10.2
210.09116	1.3
221.08366	1.6
224.10722	1.0
227.07133	1.2
234.09167	1.8
236.10759	2.0
237.07788	0.8
246.22382	0.9
247.09959	1.0
250.08696	1.0
252.10309	2.1
253.11020	1.9
254.08913	0.9
264.10178	4.1
274.08673	1.7
276.10141	1.1
280.09756	1.4
284.10834	1.1
286.08716	0.9
287.09256	1.0
288.10144	1.6
288.13855	0.9
298.12296	1.4
300.10287	0.9
300.28992	4.9
301.10834	1.7
302.11920	1.3
304.13336	1.3
316.09708	1.4
316.13321	1.0
326.11713	1.0
328.09695	0.9
330.11252	3.0
336.13913	1.5
337.11026	1.2
338.11832	1.3
344.12833	3.0
348.13730	1.5
352.13181	2.8
353.14288	2.3
362.11630	2.2
363.12640	1.3
364.13385	3.7
366.11151	1.5
366.15182	1.3
370.14313	3.0
374.15286	1.0
375.13013	0.9
376.13260	2.8
377.13937	1.0
378.14725	1.1
380.12897	8.3
381.13586	4.6
382.13907	1.3
392.12616	1.3
394.14313	4.4
396.16211	1.4
402.14639	1.3
405.13501	0.9
422.13852	1.1
434.17493	3.6
438.16934	1.3
452.18622	13.4
453.18741	1.5
462.16891	3.7
480.18030	100.0
480.32867	13.3
481.18381	6.4
505.04263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.05489	2.6
56.60710	1.2
57.03432	1.9
58.06572	1.7
61.41272	1.1
65.67973	1.2
67.05497	9.0
68.05844	2.6
68.85707	1.3
69.07059	2.3
71.43490	1.5
79.05499	7.0
80.05809	1.7
81.07049	8.0
82.07387	4.7
83.04948	1.6
83.08625	1.8
86.03335	1.1
86.09725	2.6
91.05486	2.0
93.07035	4.7
94.07360	2.8
95.08601	4.3
96.08910	3.1
104.10721	5.8
105.07045	2.4
107.08606	2.6
108.04487	1.3
109.02875	5.6
109.10169	2.4
110.10481	1.9
113.00002	7.2
120.08779	1.0
121.10138	2.1
122.10477	1.1
124.99973	1.3
128.06255	2.8
133.06398	1.2
135.04375	3.6
145.06534	1.4
165.58830	1.0
168.05795	1.3
169.02600	2.3
187.03490	1.2
196.65439	1.0
199.07512	7.0
200.29727	1.0
210.09061	1.5
221.08368	1.8
224.10707	1.5
227.07080	3.5
234.09184	2.6
236.10719	2.5
237.07964	1.8
248.10750	1.5
252.10332	2.3
253.11098	2.6
258.08923	1.2
260.10767	1.9
262.08591	1.4
264.10187	6.7
272.10776	1.7
274.08679	1.3
276.10104	1.8
280.09607	1.7
288.10300	1.7
290.11798	1.4
291.12701	1.4
298.12271	2.8
299.13251	1.3
300.10403	1.3
301.10965	1.7
302.11841	2.0
315.08844	1.2
322.12317	1.6
326.11789	1.7
329.10507	1.7
330.11121	5.5
335.25604	6.7
336.13953	2.4
336.26129	18.4
337.11078	1.8
337.26398	15.4
338.11850	2.3
338.27692	2.3
339.27881	1.4
344.12927	5.1
352.13196	3.7
353.14063	2.4
354.11185	2.0
362.11649	3.5
364.13303	3.4
366.11258	1.9
370.14252	7.7
372.12698	2.7
376.13336	3.1
378.14865	1.9
380.12769	10.3
381.13547	15.7
382.14288	2.0
394.14407	6.7
395.14847	1.4
401.13748	1.5
402.14984	1.8
404.12622	2.4
405.13797	2.1
418.14252	2.6
419.14523	1.2
420.15988	2.4
422.14011	3.1
434.17453	6.0
438.17001	3.1
452.18488	27.0
453.18881	1.9
462.17035	7.4
480.18042	100.0
480.33392	4.0
481.18542	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	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.13034	1.1
55.01859	3.0
57.03424	4.8
58.38440	1.0
61.02923	9.8
69.03426	17.3
70.06576	3.1
70.30744	1.2
70.93309	1.7
71.04991	2.7
73.02898	3.7
81.03422	7.9
83.01293	1.1
85.02897	100.0
87.04465	1.5
91.03932	5.7
91.05469	3.1
93.07017	4.5
95.04955	1.4
97.02885	23.5
99.04426	4.0
103.03912	1.9
103.05460	2.0
109.02852	8.5
116.07067	3.0
121.06497	68.9
122.06796	1.8
127.03904	21.3
131.08568	2.0
131.46878	1.1
139.03897	1.6
141.06984	1.8
145.04948	44.2
145.06290	2.5
151.07681	1.1
157.06458	1.3
159.07980	5.9
163.06007	20.2
171.08070	1.3
175.07532	2.4
179.07024	3.9
187.07515	23.2
205.08591	20.3
228.08273	1.2
229.08603	10.3
231.29529	1.5
235.09599	3.3
247.09685	10.5
265.10681	9.4
325.10953	1.5
439.18683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.04205	0.5
54.11008	0.5
55.05508	1.2
57.03435	0.9
59.95349	0.4
61.11311	0.4
67.05492	1.0
69.03429	1.6
69.76443	1.4
71.01357	0.9
77.03925	0.8
79.05489	12.6
81.07056	0.9
85.02910	1.7
89.02396	3.0
91.05479	5.4
93.07044	40.9
95.04953	3.1
95.08592	0.5
97.02884	0.7
103.05549	0.6
105.04536	1.1
105.07035	4.7
106.07816	0.8
107.07926	0.8
107.08596	9.6
109.06593	0.6
119.08604	1.0
121.10139	100.0
122.10482	2.6
123.08076	1.1
127.03921	0.6
129.06923	0.5
131.08575	1.7
135.02913	0.8
137.05983	1.4
139.11198	0.5
149.09596	10.0
167.10686	2.1
207.02095	0.5
235.94234	0.5
283.11713	1.9
314.88754	0.5
330.40335	0.5
344.04037	0.5
395.84521	0.6
415.53577	0.5
456.23254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.3
61.02919	8.3
69.03436	17.4
69.08756	13.4
71.04993	29.2
73.02916	4.7
75.04491	4.6
81.03416	4.0
83.04977	3.2
85.02903	100.0
86.03248	1.8
87.04449	2.2
91.03964	5.2
91.05491	4.1
93.07043	2.2
97.02887	17.4
98.23477	2.5
99.04465	2.5
102.36619	1.7
103.03931	1.8
105.07040	2.6
109.02866	4.8
111.04459	2.3
111.16838	1.7
119.04929	3.0
121.06503	28.0
127.03886	14.2
129.05476	17.9
137.05962	14.5
145.04962	20.9
147.04619	1.6
147.06529	11.8
149.06085	2.0
151.07567	1.8
159.08089	2.1
163.06067	13.5
163.07243	2.3
167.07036	2.0
175.07558	2.5
179.06981	8.5
187.07526	9.5
205.08603	6.9
221.08121	3.6
229.08652	4.9
247.09702	9.1
265.10727	6.0
270.26642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01860	2.7
57.03434	5.0
59.04979	0.9
60.72269	0.8
61.02921	10.0
61.59562	1.0
69.03429	16.4
70.06586	2.2
70.79081	0.9
71.04993	2.2
73.02912	3.4
74.06074	1.0
74.12595	0.8
81.03416	7.7
81.28394	0.9
83.01317	1.1
85.02899	100.0
86.03251	0.9
87.04460	2.9
91.03953	4.8
91.05529	1.4
93.07048	2.0
95.04971	1.3
95.06124	1.4
97.02890	26.3
99.04459	3.7
103.03902	1.2
108.39920	1.0
109.02860	6.7
115.03914	1.4
120.08079	1.7
121.06505	33.6
127.03920	23.6
131.69180	0.9
136.09436	0.9
139.94810	0.9
145.04953	50.5
145.06332	1.8
145.06592	2.3
159.08011	2.9
163.06012	19.5
163.07327	1.8
179.07050	1.4
180.52745	1.0
187.07542	13.1
196.19785	1.0
205.08600	9.1
217.08572	1.7
229.08513	5.4
247.09692	4.5
265.10577	4.5
306.21790	2.6
325.11276	1.4
393.06430	1.1
438.55087	0.9
480.20932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
57.03427	19.5
61.02918	4.4
67.05494	7.6
68.48737	2.4
69.03416	15.0
71.23736	3.0
73.02912	43.4
79.05495	7.7
81.03407	24.5
81.07055	8.4
85.02902	21.5
85.19638	2.6
91.05511	3.9
93.07033	6.4
95.04974	8.5
95.08591	13.1
97.02876	32.1
105.07028	28.0
107.04942	3.5
109.02876	3.0
109.06496	34.0
115.03941	18.8
115.77969	2.6
121.02885	6.1
123.08057	24.7
125.06007	2.5
127.03906	12.3
133.04956	5.1
133.06473	21.3
138.08951	2.6
145.04962	6.4
151.07530	100.0
151.08746	5.8
169.08597	15.9
201.18497	2.8
227.68233	2.8
289.11588	3.4
472.81281	2.7
480.12634	2.9
484.19678	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	480.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28396	10.8
69.98959	21.6
69.99290	21.0
71.04996	35.4
83.04977	75.1
95.04955	28.6
95.16360	12.3
98.23378	15.1
99.04453	59.5
109.06517	15.1
147.04408	16.7
164.92206	15.9
191.07021	16.1
250.49753	14.1
251.39580	14.4
297.18347	18.7
312.58017	14.7
315.19583	32.9
319.40329	12.6
394.78894	13.8
452.18280	15.5
480.18204	100.0
481.16833	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	480.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	3.8
67.05503	4.2
71.43015	4.3
84.05170	2.2
86.09699	18.1
95.04948	3.0
107.08616	2.7
119.08573	2.3
121.10162	3.8
125.00002	15.1
130.85806	2.9
139.75432	2.4
145.10117	2.5
152.65121	2.6
170.31003	2.4
184.07347	54.8
227.72876	2.6
297.18530	3.2
315.19434	5.7
317.20901	37.4
318.21198	94.6
332.58456	2.6
345.51126	2.7
480.26416	100.0
481.26550	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	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05264	0.8
55.05510	12.4
57.03436	7.0
57.07079	6.6
62.42852	0.5
66.00117	0.5
67.05502	10.8
68.05759	0.5
69.07063	19.7
69.19732	2.7
71.04959	0.4
71.08627	3.4
76.87436	0.4
79.05490	4.5
81.07055	11.4
83.04944	0.6
83.08619	11.9
85.10174	1.5
86.09682	1.0
91.05467	1.2
93.07037	6.5
95.04943	0.5
95.08022	0.8
95.08599	11.7
97.06525	2.0
97.10162	7.5
98.23534	0.9
98.98480	0.5
100.64418	0.4
105.06993	0.6
107.08596	3.4
109.10165	4.7
111.08122	0.7
111.11693	2.2
121.10136	5.6
123.11672	1.1
124.01595	0.6
125.09661	0.6
135.11711	3.8
139.11151	0.7
146.41930	0.4
149.13237	1.9
151.14815	0.8
153.12682	0.7
167.19218	0.5
216.06355	1.2
239.01721	0.4
243.47458	0.4
247.24277	0.6
265.25336	1.4
308.29343	2.7
339.28918	100.0
340.29227	5.6
480.33554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.84007	0.9
54.80307	0.9
55.05506	12.5
57.03432	4.9
57.07066	5.6
62.06086	26.7
67.05499	9.4
69.07063	16.7
71.08630	2.8
79.05476	4.3
81.07052	11.1
83.08611	13.3
85.06497	1.2
85.10126	1.0
93.07030	6.2
95.08594	11.0
97.06484	1.6
97.10159	5.2
98.06041	1.7
98.98448	5.6
107.08564	3.7
109.10144	3.0
111.11722	1.3
121.10145	4.5
123.11659	1.2
124.01598	1.4
130.12228	1.1
135.11671	4.1
142.02612	1.2
149.13179	1.2
155.01018	6.9
216.06306	3.9
247.24165	1.2
265.25281	5.2
308.29471	12.6
337.26535	1.4
339.28903	100.0
340.29095	3.9
419.25601	1.7
462.29843	2.1
463.05002	1.4
480.21692	1.4
480.31366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	3.1
62.06078	3.4
71.43348	2.7
81.07056	4.9
93.07058	4.0
103.56309	2.5
107.08591	4.8
119.08595	4.5
138.40860	2.9
145.00792	2.8
177.84558	3.0
197.94244	3.3
200.57529	3.1
237.02975	5.3
267.15973	3.9
285.17130	6.0
311.07724	2.8
361.91119	3.5
367.20328	3.2
413.11072	5.6
437.12100	13.5
480.28860	7.4
481.11053	100.0
481.17310	5.0
482.11411	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	481.1647
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
56.50007	4.2
67.05482	5.4
95.04960	46.9
109.02891	7.2
128.06219	11.5
143.08585	8.9
163.66888	4.5
165.06935	5.7
171.08055	9.4
181.06435	4.4
182.07057	4.7
195.08092	6.6
199.07503	18.0
209.09653	6.4
210.10428	14.4
211.07518	5.6
211.11351	4.9
225.09137	7.6
227.07007	30.7
237.09148	42.0
238.09883	84.7
239.10559	11.9
255.06468	31.8
272.08066	5.0
273.90533	4.5
313.12323	5.6
341.11594	5.9
371.12488	6.8
378.90686	4.1
399.12405	10.4
435.16299	4.6
453.17075	14.3
463.15118	9.7
481.16232	100.0
481.21820	12.8
501.61508	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	481.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51051	0.5
63.97492	0.6
81.07069	0.6
83.05029	0.5
97.50731	0.5
98.23508	1.1
100.11272	1.0
105.16748	0.5
159.08092	0.7
162.97072	0.5
175.07581	1.0
190.52034	0.5
231.13614	0.8
233.15488	0.6
319.13663	2.5
391.13791	3.3
481.18951	100.0
482.19217	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	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82557	0.2
55.05476	0.3
66.11803	0.2
69.07025	0.4
69.29159	0.9
69.29564	0.4
82.78905	0.2
98.23456	0.3
100.11249	0.2
110.50950	0.2
123.08032	0.6
168.13730	0.2
169.04759	0.3
185.04189	0.6
227.05219	1.5
233.15123	2.4
261.14578	0.6
271.04306	0.3
275.16141	0.7
305.12943	0.3
305.17004	0.3
377.19461	0.6
395.20364	13.6
396.20697	0.6
419.20316	1.2
435.28671	0.3
437.21426	34.6
438.21652	1.5
481.20401	100.0
482.20789	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	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50321	0.3
51.06739	0.3
51.97722	0.3
52.87611	0.3
55.05513	0.4
83.08638	0.3
90.35188	0.3
103.32053	0.3
105.07037	0.3
107.08640	0.4
109.06468	0.3
123.08060	0.9
131.08459	0.3
135.11710	0.4
137.09595	0.4
185.04251	0.8
193.15964	0.4
199.02365	0.3
227.05280	0.6
233.15135	3.1
241.00330	0.3
259.01257	0.4
261.14706	0.7
275.16290	1.0
377.19281	0.5
395.20410	10.1
396.20706	0.7
419.20483	0.9
433.04358	0.3
437.21463	33.8
438.21838	2.0
459.05945	0.6
481.20450	100.0
482.20731	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	481.2047
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
55.05497	0.6
58.74649	0.4
63.92080	0.5
69.31203	2.5
81.07056	0.8
93.07049	0.6
95.16382	0.4
105.07014	0.5
107.08578	1.3
119.08596	1.0
135.11716	1.6
144.27412	0.4
185.04216	0.5
193.56853	0.5
201.03734	2.4
203.05228	3.2
227.05307	0.8
233.15178	1.0
245.06290	3.0
257.15146	1.4
280.07315	0.5
289.05301	7.9
301.14157	1.0
319.15186	6.7
366.65149	0.6
395.20547	1.6
407.16815	2.3
437.21548	7.0
439.49060	0.5
463.19138	0.8
481.20435	100.0
482.20801	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	481.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95638	1.5
53.03947	2.0
55.01858	1.6
55.05514	10.9
57.03429	5.9
57.07064	6.8
59.04986	2.9
67.05513	10.8
69.03424	5.3
69.07065	21.8
71.04996	2.8
79.05492	1.9
81.03411	4.6
81.07037	5.1
83.08604	6.6
84.17157	1.5
85.02904	13.5
87.00816	6.3
87.04468	3.4
92.70846	1.6
97.02888	7.0
97.10162	27.6
105.01852	5.5
105.07001	3.1
107.08579	2.1
109.02862	4.9
109.09421	3.1
109.10149	40.4
115.11192	15.3
119.08578	2.8
121.10154	1.9
127.03922	9.1
127.11185	100.0
129.12801	2.3
133.10117	1.7
145.04903	2.8
145.12216	13.1
175.14807	1.8
215.16467	1.8
216.34904	1.5
231.05055	1.5
233.17477	6.9
258.36298	1.6
265.09747	2.9
267.11096	1.6
283.11029	2.0
289.05197	12.5
311.09930	1.9
329.11243	6.7
341.14948	2.3
380.27936	5.0
463.19702	3.6
481.20300	7.0
481.32620	2.4
481.98029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05505	2.6
57.03434	3.9
67.05525	2.5
69.03423	3.2
69.07075	2.9
69.50996	5.0
69.51384	5.2
74.09685	1.8
79.05500	2.9
81.07037	4.0
81.56603	1.9
83.08632	2.7
84.04531	2.1
86.06062	23.7
91.05515	3.2
93.07026	3.3
95.04975	3.1
97.06535	2.2
100.11255	4.1
105.07050	4.6
107.08594	4.1
109.10149	3.8
119.08565	8.2
127.11150	3.3
133.10135	3.5
135.00804	2.4
135.07996	4.1
136.03914	5.0
142.07759	2.5
145.06465	2.2
147.08043	4.0
147.11641	4.0
148.07556	2.5
149.09543	2.7
154.12288	2.2
156.13866	2.6
157.10112	5.1
159.07991	3.0
161.09607	8.3
163.11069	2.2
164.07054	7.4
171.11668	3.8
175.07491	2.9
175.11150	5.6
176.07042	2.5
176.12056	2.6
185.13240	5.5
187.07582	2.3
189.12740	11.2
192.06575	11.6
195.11700	3.1
198.10451	3.2
199.11176	6.4
203.14268	2.6
210.07681	2.7
213.12779	15.3
214.13495	13.1
214.92223	2.2
217.12224	6.4
220.05881	2.8
228.87476	2.1
231.13785	3.1
238.07123	12.4
241.12251	4.7
245.06404	5.0
251.14313	7.3
261.12698	2.1
265.36267	2.0
269.11719	5.5
269.15366	2.0
279.13763	9.6
289.05264	23.6
297.14786	9.0
304.11612	2.9
307.13327	10.2
325.14240	14.9
344.14938	2.8
382.19730	2.2
392.18515	5.0
395.20175	2.3
410.15573	2.1
410.19751	22.4
428.20670	100.0
429.20947	5.5
437.21542	9.5
446.21619	5.6
463.19275	10.8
481.20386	53.9
481.37231	6.2
482.20520	4.8
490.39197	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	481.277
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
58.90834	0.6
66.74973	0.7
90.86236	0.6
98.31916	0.6
150.32101	0.5
185.04178	19.2
258.79465	0.6
301.21344	14.4
312.74832	0.6
319.22385	68.7
320.22604	3.1
481.27689	100.0
482.27975	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
61.02911	0.4
63.15260	0.4
65.03945	1.1
67.05502	2.7
69.03417	1.9
71.04983	0.5
71.22890	0.4
71.42668	0.4
79.05482	0.9
81.03407	0.6
81.07047	1.0
85.02898	2.3
93.05773	0.7
95.04959	0.5
96.08128	0.9
97.02892	1.6
106.06546	1.9
108.08109	100.0
109.08450	1.0
123.06791	5.2
124.07584	12.5
124.08440	1.0
125.65592	0.5
127.03932	0.7
131.35130	0.5
134.06010	8.3
136.07568	17.7
137.08301	0.6
146.06032	1.7
148.06087	0.5
151.03928	1.7
151.23067	0.5
152.07056	56.1
153.07387	1.0
154.08598	2.2
163.03987	0.6
170.08096	0.7
171.10289	0.6
202.04965	0.6
314.12308	66.7
315.12585	1.6
332.13098	0.6
401.79700	0.6
432.87695	0.6
482.16602	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	482.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06174	1.3
55.05507	13.4
57.03416	1.9
57.07072	3.6
59.04988	2.2
60.37019	1.3
67.05499	16.5
68.69624	1.4
69.03417	2.8
69.07066	5.5
71.04985	6.2
71.23267	1.8
71.60133	1.5
79.05492	5.9
81.07052	92.2
83.08621	2.3
83.59461	1.4
85.02892	7.1
85.06523	7.4
89.06063	2.2
93.07033	8.7
95.04967	6.3
95.08607	27.6
97.02890	3.5
97.10163	8.9
99.08109	2.5
105.07056	3.2
107.08608	4.3
109.06524	3.8
109.10154	4.3
111.08053	3.0
113.05995	2.1
121.10144	2.7
123.11700	100.0
124.12022	1.9
127.03990	1.8
127.11140	1.8
133.10117	4.0
141.12758	4.2
151.11172	19.9
169.12230	85.9
170.12509	2.0
187.13283	43.2
196.07516	1.5
214.17493	1.5
222.37775	1.5
257.13980	1.8
318.58826	1.5
439.47855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.05505	6.5
56.05020	9.0
57.03415	6.1
61.02914	2.9
67.05498	8.4
69.03449	4.1
69.07061	5.4
70.06577	3.2
71.04992	3.8
71.43504	3.6
76.23347	2.5
79.05497	16.9
81.03410	42.5
81.07043	17.5
83.04961	11.1
83.08166	3.4
83.08613	11.3
84.08139	3.8
85.02889	16.4
91.05470	12.6
93.07069	15.9
95.04960	16.4
95.08586	5.6
97.02859	6.1
102.05526	11.9
105.07014	12.7
107.08555	7.2
109.06487	3.5
109.10142	4.5
111.04411	2.8
111.08056	4.3
119.08560	12.5
121.10146	14.4
123.11681	5.1
124.03918	5.2
129.06963	6.0
131.08556	7.5
133.10132	8.9
141.50177	2.9
147.11678	11.0
149.09627	6.6
153.12675	3.2
157.10107	10.4
169.12202	3.4
175.11206	11.1
193.12244	47.6
195.06464	5.5
211.13287	43.4
267.15906	16.6
285.16953	100.0
289.05164	5.2
428.28925	3.1
464.21695	5.2
482.23651	22.6
483.22299	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.1
57.03439	4.8
57.22133	1.6
62.38961	1.7
67.05510	9.5
69.03424	2.8
69.07064	3.8
70.06584	3.2
70.72367	2.5
79.05488	12.4
81.02966	2.5
81.03415	28.6
81.07058	18.3
83.04968	6.7
83.08617	9.9
85.02905	14.2
90.04453	2.2
91.05479	11.3
93.07032	11.5
95.04958	12.1
95.08602	5.4
97.02908	2.4
105.07030	11.7
107.04952	2.7
107.08560	3.4
109.06533	2.6
111.08033	2.9
114.10323	1.9
119.08574	7.9
121.10121	9.5
123.11686	5.0
124.03857	2.0
126.90430	2.1
127.03958	1.8
129.07002	3.9
131.08560	6.2
133.06491	2.7
133.10121	8.3
147.11688	6.3
149.09564	3.5
151.11108	1.9
157.10089	6.7
169.12222	6.0
170.66455	2.2
175.11168	8.4
192.61372	1.9
193.12219	24.5
195.06506	7.7
211.13306	21.6
213.84196	2.0
267.15936	7.0
285.16968	100.0
286.17056	3.1
321.06329	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	482.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.5
58.55354	7.5
60.71037	7.5
67.05489	17.6
69.07072	15.1
70.79384	14.6
72.01811	6.8
79.05508	22.4
81.07052	57.1
88.53496	7.9
91.05512	8.5
93.07047	23.7
95.08610	24.5
100.72160	7.4
105.07021	47.4
107.08601	46.8
109.10162	37.7
117.06979	14.0
119.08582	52.7
121.10162	19.5
131.08577	34.9
133.10146	44.6
143.08554	33.3
145.10117	59.2
146.53709	8.5
147.11726	11.2
152.22458	7.8
155.08600	18.1
156.09306	9.9
157.10146	45.1
159.11676	69.0
161.13266	10.7
169.10120	36.8
171.11722	32.6
173.13271	25.2
175.14891	9.6
182.10895	11.0
183.11700	31.3
184.12517	7.7
185.13321	18.1
187.14835	21.2
196.12440	9.1
197.13260	36.7
203.14188	7.6
211.14851	44.0
225.16370	11.2
225.28885	8.1
240.07321	8.8
267.21097	100.0
285.22128	28.8
327.23135	18.0
339.23749	8.5
377.23511	10.9
443.20187	7.9
482.31165	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	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.2
57.07076	69.9
69.07057	8.0
71.08632	54.4
73.06541	3.2
82.97770	1.3
83.04970	2.1
83.08619	5.2
85.10178	35.8
87.04459	4.3
89.06030	100.0
97.10172	2.9
98.23450	5.0
99.11730	8.0
107.07089	2.0
111.11702	3.6
113.00020	1.5
113.13297	6.1
117.09087	1.9
127.14790	3.4
133.08601	57.9
177.11208	21.6
183.21111	1.6
195.12302	4.8
221.13800	2.4
239.14908	3.5
271.26407	2.7
283.17545	29.2
315.28812	2.3
465.37851	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64372	0.5
55.01834	0.6
69.25071	2.7
79.05460	1.1
88.07274	0.5
91.05484	0.7
98.22723	1.0
107.08524	0.5
111.18308	0.4
117.06996	0.5
125.09611	1.2
133.06415	0.7
135.08041	22.9
136.08334	0.8
138.16048	0.5
140.12787	0.5
167.37755	0.6
175.07303	5.4
185.04207	0.8
186.51894	0.5
203.05208	2.6
227.05220	1.7
235.16968	0.6
245.06325	7.6
264.61905	0.5
271.04239	3.3
287.03564	1.5
289.05264	100.0
290.05536	2.7
379.13608	4.0
423.12579	82.8
424.12994	4.4
483.14713	34.2
484.15033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01867	1.1
55.05494	0.3
58.36076	0.2
65.03938	0.4
67.05508	1.1
69.03422	0.4
69.17617	1.3
71.32076	0.2
83.04965	0.3
83.08582	0.2
89.06028	0.5
91.05487	0.4
93.07030	0.2
95.04958	4.9
95.08609	0.3
97.02852	0.4
107.04945	0.3
109.02868	100.0
110.03191	1.0
112.99999	0.5
119.04903	0.4
121.06537	0.4
133.08585	0.2
134.98148	0.3
135.04370	1.2
145.06494	0.4
147.04385	0.7
154.07762	0.2
159.08121	0.4
165.05464	27.0
166.05812	0.6
166.07817	0.2
171.07962	0.3
178.07739	0.3
181.10187	0.2
182.07260	0.6
183.08003	0.5
184.25742	0.2
191.08363	0.2
193.04953	0.9
195.08078	0.5
196.08844	0.6
197.09593	0.5
199.07625	0.5
201.09096	0.7
209.09660	0.8
211.07542	0.3
212.08273	0.4
217.10130	0.3
217.12148	0.2
221.09479	0.2
225.09100	1.8
229.08586	0.5
231.08070	0.3
232.08800	0.6
233.09576	0.4
237.09125	0.6
238.09894	0.6
239.07094	0.3
239.10619	0.7
242.10858	0.3
245.09644	0.8
246.10379	0.6
248.08272	0.7
249.09090	5.3
251.10698	0.5
253.08565	0.9
255.07977	0.4
257.13165	0.3
259.11255	0.4
260.06183	0.2
260.11874	0.6
262.09921	1.1
262.37567	0.2
263.10788	0.5
265.08521	0.3
267.10132	0.5
269.09702	0.6
270.10355	1.0
271.11066	0.3
273.09149	1.0
273.12381	0.2
275.10626	1.5
275.13766	0.2
276.11264	0.3
285.12653	0.5
287.10626	0.9
288.11447	1.5
289.12177	6.4
291.10153	1.2
291.13794	0.8
298.09808	0.6
299.10645	0.7
301.08868	0.5
301.12183	0.5
302.12820	0.5
303.13715	2.1
313.12167	2.8
315.10248	0.5
316.10965	0.6
318.12561	1.1
319.13254	1.5
327.13879	0.3
329.11633	0.4
331.13248	19.5
332.13660	0.6
334.11929	0.4
339.13495	0.3
339.27994	0.7
340.28113	0.3
355.13181	0.8
357.11197	0.3
373.14053	0.3
376.13147	0.9
383.12878	1.0
413.13889	0.6
437.17368	0.6
465.16977	2.0
483.18045	3.0
483.24585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03431	1.0
59.00679	0.7
67.05486	2.1
69.03429	2.6
69.07058	1.3
70.07266	2.0
71.05028	0.7
73.02910	1.1
76.93766	0.8
79.05495	0.7
81.07041	0.9
83.04981	1.2
85.02909	3.2
87.00822	1.5
91.05478	1.5
93.07043	2.6
95.04980	2.1
95.08593	1.2
97.02885	1.7
97.06546	0.8
98.23364	0.8
99.04471	0.9
100.11228	0.8
105.01817	0.8
105.07017	1.8
107.08566	4.4
109.02872	1.6
109.06499	2.2
109.10126	1.6
111.08062	1.2
112.00705	0.7
119.08587	1.7
121.06518	1.7
121.10152	4.6
125.09628	18.8
127.03911	1.3
131.08568	1.4
133.10022	0.9
135.08153	1.0
137.09656	0.7
145.10172	1.3
149.09669	0.9
149.78954	0.7
151.03914	2.5
159.08105	0.8
159.11757	0.9
161.09550	0.8
177.12775	2.3
182.15308	1.0
185.04189	0.9
186.09131	1.3
217.15941	2.1
229.06879	1.8
235.09564	0.9
235.16956	5.2
289.05252	1.5
317.08398	52.6
318.08942	1.4
336.86301	0.8
483.18314	100.0
484.18668	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	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68967	0.4
69.54758	1.8
80.96687	0.4
91.61799	0.4
96.93288	0.4
107.00024	0.4
107.08611	0.5
119.08606	0.5
120.35513	0.4
122.02801	0.4
134.09460	0.4
143.03111	0.7
151.07607	0.7
167.10844	0.4
185.04181	0.6
203.05252	9.0
217.73521	0.4
219.04742	0.4
233.11777	0.7
259.16702	1.2
289.05429	1.1
303.15805	1.1
321.16675	6.7
331.56775	0.4
465.21051	2.9
483.22003	100.0
484.16168	0.4
484.22467	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.3
79.05508	0.5
87.37482	0.3
88.02210	1.3
91.05476	0.3
96.14574	0.3
97.89477	0.3
104.90085	0.3
105.07020	0.3
107.08582	0.5
109.92699	0.2
110.76843	0.2
121.06541	0.3
132.01141	0.3
134.02740	0.6
143.03159	1.1
145.06491	1.0
185.04242	0.6
187.66743	0.2
198.09174	0.6
199.77911	0.2
203.05247	9.1
227.09549	0.3
235.09802	0.5
242.06332	3.6
244.04231	1.1
248.10754	0.4
254.06384	0.3
258.05756	0.2
259.16650	1.0
260.07483	0.5
266.81525	0.3
268.07819	1.7
272.07428	0.9
281.08353	0.3
286.08929	0.4
287.06094	0.7
303.15634	2.2
314.08456	1.9
321.16708	6.3
326.08347	2.5
327.08847	0.3
331.08716	1.2
332.09467	3.3
344.09531	1.9
447.19507	0.3
465.11600	0.9
465.20856	2.1
483.21982	100.0
484.22260	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06123	0.4
66.24362	0.4
98.22709	1.0
101.52213	0.4
105.07024	0.5
107.08635	0.5
119.08607	0.4
121.06544	0.5
143.03178	0.5
145.10104	0.7
167.94063	0.5
201.16286	0.6
203.05243	4.8
229.21417	0.6
259.16766	2.0
303.15686	0.8
321.16708	13.0
322.17276	0.9
344.09372	0.5
467.72745	0.4
483.21988	100.0
484.22293	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	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69601	3.2
53.03938	5.7
55.01857	12.0
55.05502	13.2
55.05750	2.6
57.03426	8.9
61.02921	6.2
62.38586	3.5
65.03941	3.4
67.05502	20.9
68.99780	8.3
69.03430	25.2
69.07066	11.7
69.18506	21.4
70.25230	2.8
71.01352	6.3
71.04995	5.7
72.50173	3.5
73.02882	3.8
74.23014	2.9
79.05486	33.6
81.03404	19.5
81.07058	51.8
83.04987	26.0
83.08630	5.7
83.46302	3.0
85.02901	46.2
85.06516	4.3
87.00839	17.3
91.05477	41.5
93.07039	52.9
95.04971	31.7
95.08600	49.0
97.02902	20.2
97.06561	15.0
99.04466	5.8
100.11250	3.2
103.05463	4.7
105.01858	9.3
105.07023	100.0
107.04942	7.6
107.08589	51.9
109.02887	10.9
109.06499	26.8
109.10139	20.1
111.04444	12.4
111.08063	10.4
115.03922	8.3
117.07021	14.6
119.08572	61.9
120.17548	3.1
121.06495	12.8
121.10159	24.9
123.04418	19.4
123.08047	10.5
123.11705	5.7
125.05988	12.3
125.09595	15.9
127.03945	15.2
128.06206	7.7
129.01848	8.9
129.07007	13.4
130.05049	3.3
131.08566	54.4
133.06508	12.5
133.10129	46.3
135.08009	4.7
135.11674	9.6
137.09584	6.6
141.07004	7.1
142.03244	3.1
142.07793	7.3
143.08537	34.0
145.04816	3.0
145.06505	5.2
145.10121	55.7
147.02800	4.3
147.08031	12.3
147.11693	28.0
149.05928	7.1
149.09595	6.1
149.13269	7.2
151.03905	12.1
151.07535	89.2
153.06975	3.9
155.08575	18.9
156.09346	4.3
157.10109	28.1
159.02869	6.1
159.08015	6.3
159.11688	55.8
160.11877	3.1
161.05960	3.4
161.09578	3.9
161.13245	20.5
163.11160	3.5
163.14857	6.4
165.12698	3.1
167.07068	3.5
167.08475	7.1
169.04951	7.5
169.10095	15.3
170.10921	3.7
171.08040	6.4
171.11671	29.7
173.09613	13.8
173.13242	49.6
175.07481	5.5
175.11194	9.6
175.14781	14.9
179.07008	9.7
179.08511	3.5
181.10143	9.1
182.03409	2.8
182.11002	5.2
183.11642	16.1
185.09662	4.7
185.13216	32.1
187.06163	3.4
187.14786	20.3
189.12727	7.3
189.16391	11.3
191.14284	13.5
193.10115	6.5
193.12279	4.0
195.11711	10.7
197.13274	20.7
199.11145	4.3
199.14847	34.6
201.12700	13.2
201.16411	20.5
203.05240	6.0
203.14337	14.3
205.10301	5.8
205.12207	3.8
205.15848	4.3
207.11784	4.8
209.13292	9.2
211.14789	11.0
213.12744	11.3
213.16342	13.2
215.14351	5.4
215.17970	3.7
217.12253	15.8
217.15779	18.1
219.13776	14.9
219.17358	17.1
223.14787	7.6
225.16338	5.2
227.14310	7.5
227.17848	3.8
229.15942	7.8
231.13742	9.4
231.17383	4.1
235.09575	3.8
235.13258	40.2
235.16806	20.8
239.14319	4.5
241.12210	4.4
241.15976	10.2
243.13768	3.5
245.15334	14.9
253.15794	5.0
257.15381	6.5
259.16974	8.1
271.16980	5.2
279.17465	6.6
283.16971	10.0
291.15921	6.8
295.17120	4.4
297.18320	5.9
301.17889	7.3
307.16882	16.3
321.16537	8.0
325.17960	29.8
333.75366	3.3
343.19128	18.1
361.19870	4.8
391.29953	9.1
393.31284	4.5
411.18079	4.2
429.19168	15.5
437.30371	18.2
447.20435	19.7
465.20880	12.9
465.29822	6.9
483.15244	4.3
483.21780	59.2
483.30728	10.8
484.22177	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57988	0.3
55.35389	0.3
87.80304	0.3
87.87335	0.3
185.04117	0.4
194.44708	0.3
219.17436	0.6
259.07889	0.3
321.16812	1.8
367.17841	0.3
392.98840	0.3
483.21979	100.0
484.22336	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05498	0.9
57.03411	0.5
62.86897	0.3
67.05488	1.4
69.03416	0.6
69.07052	0.8
79.05464	1.2
81.07064	1.5
83.04980	0.4
83.08600	0.5
91.05480	1.1
93.07039	4.6
95.08594	2.4
97.02882	0.9
97.06525	4.3
97.10122	0.3
105.07009	2.3
107.08578	5.2
109.06573	0.6
109.10130	2.3
111.08073	14.2
117.06966	0.4
118.59237	0.3
119.08573	3.3
121.06500	0.8
121.10129	5.9
123.08061	0.7
123.11676	1.0
125.02325	0.8
131.08572	0.5
133.10132	1.1
135.08064	3.0
135.11667	6.9
135.12648	0.5
137.09592	1.1
143.03404	0.4
145.10107	2.1
147.11665	4.0
149.09605	0.9
159.11652	2.4
161.09589	0.6
161.13272	1.3
163.11168	10.7
164.11707	0.4
173.13261	0.6
175.14801	0.4
177.12717	0.7
179.66528	0.3
189.12718	6.6
191.18053	0.3
201.16403	2.9
204.15077	9.1
204.19716	0.3
219.17415	100.0
220.17757	4.7
237.18393	0.7
247.16791	0.4
341.01846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
59.08479	0.2
67.05526	0.2
69.07066	0.3
71.43188	0.3
81.07068	0.4
87.72259	0.2
91.05486	0.4
93.07051	0.5
95.04967	0.2
95.08587	0.3
105.04605	0.2
105.07026	0.5
107.08636	0.3
109.06513	0.3
109.10171	0.2
111.08113	0.2
119.08574	0.3
121.10147	0.7
123.11640	0.2
130.35817	0.2
135.11679	0.5
163.11220	0.8
166.58337	0.2
189.12744	0.3
201.16405	0.3
203.05255	0.8
204.15089	0.3
219.17436	4.6
259.07922	0.7
290.56030	0.3
321.16702	1.4
329.11453	0.4
483.21985	100.0
484.22290	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	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45312	4.6
54.99554	4.2
55.05511	31.8
57.03448	4.4
57.07066	6.2
64.83453	4.1
67.05486	8.3
69.07061	26.7
69.44685	20.1
71.08627	10.9
72.14441	4.2
81.07064	6.4
83.08614	21.5
85.10214	4.8
85.81588	3.5
97.10163	17.3
98.98467	22.3
104.30707	4.4
109.02294	3.8
121.10111	6.4
147.06482	3.8
155.01080	9.6
311.25763	100.0
312.25983	7.5
373.60968	5.1
464.69437	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	484.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74557	1.0
57.74623	1.0
60.30177	1.0
67.05502	14.3
69.06930	8.3
86.09714	5.0
91.05448	1.1
93.07039	1.9
94.06578	15.2
94.33881	1.0
104.10734	9.6
106.06564	1.4
108.07464	1.0
108.08096	5.5
120.04468	1.4
121.10159	1.1
121.85114	1.0
122.02428	3.4
122.06028	31.4
122.09677	1.0
125.00031	3.0
131.07343	1.6
132.08093	2.2
134.09589	1.2
136.07570	14.1
138.05553	2.4
138.09126	1.2
140.03448	1.1
144.08156	1.7
146.09633	2.3
148.07568	3.0
148.11194	1.4
150.09190	2.8
157.08862	1.2
158.09630	2.3
159.09216	2.2
160.07571	9.0
161.08424	3.4
161.10733	1.6
162.09178	4.6
164.07086	4.2
166.08661	10.6
170.09682	1.2
171.09180	2.6
172.07585	2.6
172.09860	1.5
172.11226	1.4
173.10782	4.0
174.09135	8.2
178.08664	2.7
182.04492	2.6
184.07399	13.7
185.08434	1.9
186.07814	1.4
186.09293	1.4
187.08623	5.7
187.12254	1.5
188.07083	2.7
189.10245	1.7
195.09259	1.3
196.06030	2.0
197.07097	2.2
197.10796	3.9
198.09314	5.0
199.08540	8.5
199.10336	1.3
200.07307	2.0
200.09381	4.5
200.10947	2.3
201.06645	1.4
201.10220	22.5
201.12108	1.3
202.08678	3.0
202.10919	1.3
204.06412	1.1
211.08653	5.9
212.09509	3.6
213.06639	1.7
213.10226	11.2
214.10997	1.6
215.08182	11.0
215.11775	9.3
216.08719	5.1
217.09750	1.6
218.08017	1.4
220.09708	14.9
222.09225	1.1
223.08743	3.6
225.06587	2.3
225.10141	8.3
226.08623	5.0
226.10880	2.6
227.08090	8.8
227.11784	2.8
228.06595	2.3
228.10460	2.2
229.09720	19.6
229.13342	1.4
230.08347	1.3
230.10506	3.4
231.11313	4.0
233.12854	2.6
237.10289	5.5
239.08095	12.0
239.11661	5.8
240.08864	4.6
240.10460	3.5
240.12389	1.3
241.09702	12.9
241.13387	1.2
242.10570	4.8
243.07695	5.2
243.11288	29.8
244.12042	2.3
245.09276	2.6
245.12975	3.1
246.07645	11.3
246.09972	1.4
247.10788	2.8
248.09344	1.8
251.08215	4.1
252.08836	1.9
253.09778	9.4
255.07547	2.4
255.11295	7.2
256.09662	1.9
256.12109	5.3
257.09195	9.8
257.12857	11.6
258.09973	11.4
259.10776	20.9
261.12326	17.9
264.08713	2.9
265.09662	4.4
266.08011	1.5
267.11310	5.9
268.09662	3.9
268.12149	2.1
269.09198	18.7
269.12772	2.7
270.11163	1.7
271.10751	25.2
271.14255	3.6
272.11435	2.7
273.08868	1.4
273.12320	4.1
275.10312	1.7
283.10757	12.2
285.12354	20.0
286.10303	1.6
286.13132	15.9
287.10291	20.1
287.13870	9.8
289.11874	23.6
289.15115	1.9
290.12247	1.2
295.10602	1.5
297.08710	1.6
299.10309	1.7
301.11816	40.6
302.12183	2.0
303.13379	35.5
304.14041	2.1
307.12866	1.2
311.10254	12.5
313.11826	17.5
315.09811	4.6
316.10626	1.3
317.11337	3.2
319.12857	18.0
320.13583	1.2
321.14386	10.0
329.11310	100.0
330.11951	13.5
331.12866	61.7
332.13358	3.2
336.99304	1.2
345.14691	1.5
347.12473	6.3
348.13293	1.5
361.13928	80.3
362.14523	11.0
363.15488	39.6
364.15872	3.2
378.17847	5.8
408.19217	11.2
410.17249	7.3
424.18488	2.4
434.17261	3.9
442.19788	19.9
452.18130	55.2
453.18387	3.2
484.20831	14.9
484.26932	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	484.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05508	12.9
57.03410	1.9
57.07076	6.4
61.02915	1.1
67.05492	2.9
69.03416	5.1
69.07064	67.4
69.98066	0.9
69.98414	2.2
71.04985	2.5
75.14268	0.7
76.03687	0.7
79.05475	1.9
81.03416	1.1
81.07052	12.2
83.08121	1.7
83.08614	28.3
84.08927	0.8
85.02902	11.3
93.07040	7.1
95.08605	16.1
97.02879	2.9
97.06522	21.8
97.10168	3.5
99.08060	1.6
107.08604	7.8
109.02856	0.9
109.10162	8.7
111.08073	5.8
125.13262	12.8
127.03899	2.0
135.11687	15.3
145.04945	1.3
153.12735	84.6
154.13063	1.8
161.21751	0.7
163.03886	1.0
171.13794	100.0
172.14175	2.3
184.14922	0.8
200.86549	0.9
226.30977	0.8
232.01341	0.8
235.64601	0.8
310.41550	0.9
406.22723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01866	5.0
55.05510	23.0
55.89769	1.1
57.03436	4.8
60.08160	3.2
61.02927	2.4
67.05511	2.2
69.03424	8.7
69.07061	2.6
70.06587	3.1
71.04987	1.8
71.43256	1.5
72.08146	1.4
73.52259	1.1
78.49851	1.1
79.05480	6.7
81.03414	4.4
81.07044	8.9
83.04982	11.5
83.08626	8.2
85.02908	28.0
86.09701	8.4
87.04469	1.5
87.68046	1.4
90.09380	1.1
91.05467	1.9
93.07014	2.4
95.08528	1.1
97.02882	8.1
97.10170	14.7
99.04475	2.7
104.10741	17.9
105.01866	1.2
107.08601	4.7
109.02892	3.4
109.06510	2.2
109.10143	1.9
109.56767	1.2
121.10113	1.8
125.00008	4.4
125.09624	100.0
126.10004	2.2
127.03934	5.4
127.11242	1.6
143.10692	11.1
145.04967	11.7
147.04399	1.4
149.09688	1.2
163.03920	1.9
163.06017	3.0
167.10646	2.1
172.08667	2.0
184.07343	20.3
205.73889	1.1
213.30650	1.1
251.12831	2.5
269.13745	8.3
287.14825	8.2
325.11377	1.6
369.15164	1.4
440.25589	2.7
484.12936	1.7
484.23419	7.8
485.16367	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	484.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.8
67.05499	8.9
69.07074	9.2
69.41938	27.8
77.52724	5.5
81.07064	8.0
83.04964	41.3
93.07038	6.7
95.04962	6.8
97.06513	10.4
105.07049	13.0
107.08614	12.0
111.11732	6.2
119.08577	13.1
121.10159	6.3
123.37357	5.9
131.08575	7.4
143.07022	22.1
145.10074	8.1
148.51833	6.0
149.09697	9.6
156.07777	5.9
161.09599	7.5
171.18629	6.0
173.13254	12.6
191.14326	26.1
209.15344	11.7
213.12833	12.9
227.14345	8.9
231.13809	8.7
245.15404	25.2
273.14798	8.9
297.18491	16.5
315.19434	11.0
375.21631	8.5
393.22711	100.0
453.24734	7.7
484.29053	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99253	4.1
57.03448	9.4
58.04104	4.0
67.05505	24.0
69.07046	5.5
69.28575	22.4
75.09616	4.2
78.23547	3.9
79.05482	6.5
80.48429	4.3
81.03417	58.7
81.07054	10.0
83.04949	3.9
83.23702	4.1
91.05487	7.9
93.07039	15.1
95.04971	96.1
95.08591	12.4
105.04575	3.8
105.07020	17.6
107.04990	5.2
107.08589	16.9
109.06510	17.6
109.10182	5.8
111.08162	4.9
117.06985	5.4
119.08543	35.4
121.06509	15.7
121.10152	46.5
123.04433	22.7
123.08072	17.6
123.11736	8.8
131.08551	5.2
133.10136	15.7
135.08060	10.1
135.11670	19.3
137.77600	4.2
141.05447	4.5
145.06581	4.4
145.10104	18.6
147.08083	8.2
147.11661	8.0
149.09653	5.6
156.09283	4.1
157.10158	8.6
159.11697	11.2
161.09613	8.0
163.11201	45.8
169.10069	4.8
171.11702	12.2
173.09674	4.5
173.13251	11.6
175.11208	5.1
175.14827	28.3
175.16133	5.0
177.12801	5.1
185.09668	4.8
185.13292	9.6
189.12720	8.0
193.15877	23.2
195.11917	4.8
197.13219	26.9
199.14764	5.0
201.12766	10.5
202.13606	5.3
203.14334	18.9
215.14240	5.4
229.15683	5.8
241.15848	12.4
243.13748	6.2
259.17075	5.2
261.16409	5.4
263.16406	8.9
269.19122	10.2
273.18414	6.5
279.17377	19.2
297.18481	76.3
315.19540	100.0
316.19788	4.8
357.20422	34.4
375.21744	43.5
484.28757	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	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.07074	24.0
58.06597	2.4
65.94189	0.8
67.05502	3.6
69.07067	3.3
70.06591	19.8
71.08630	11.8
73.02921	2.2
81.07059	5.0
83.08619	3.1
85.10168	5.2
88.07629	25.2
91.47002	0.8
95.08604	4.9
97.10173	1.3
102.09183	20.0
106.08675	1.3
107.07586	1.0
109.10148	2.1
133.10135	1.3
180.31288	1.0
184.20595	1.0
228.23215	54.4
229.61490	1.0
246.24307	4.2
255.23189	7.3
256.26410	7.5
283.26303	55.3
299.18723	0.9
484.47229	100.0
485.47760	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	484.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53328	0.5
55.05508	2.9
56.78653	0.5
57.03426	1.0
57.07071	16.4
58.06586	2.1
62.75372	0.6
67.05498	5.1
69.07050	3.5
69.69086	1.8
70.06586	14.1
71.08627	9.4
73.02893	1.1
79.05466	0.6
80.65042	0.5
81.07053	5.5
83.08606	2.5
85.10196	2.9
88.07623	17.2
88.73099	0.5
91.05453	0.7
93.07039	0.7
95.08603	3.8
97.10152	1.2
102.09167	12.3
109.10132	0.9
133.10194	0.5
134.98175	5.4
155.54271	0.5
159.51938	0.5
170.60374	0.5
184.97615	0.6
200.20071	18.8
200.21852	1.1
218.21169	1.3
228.23196	16.4
229.23584	0.6
243.34508	0.6
246.24423	1.2
255.23230	1.7
256.26401	1.6
268.15436	0.7
283.26270	16.6
284.26724	0.6
310.57303	0.5
311.29364	14.9
331.61124	0.5
351.28888	2.1
467.25409	0.7
484.47208	100.0
485.26382	26.1
485.47412	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	485.163
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
58.78877	0.4
69.17970	0.5
70.06584	0.6
70.62231	0.9
76.46606	0.4
102.19272	0.4
191.08191	0.5
246.29179	0.6
323.11008	1.2
466.80820	0.5
485.16275	100.0
486.16718	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	485.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36883	0.7
55.01864	0.9
55.05495	1.2
57.03437	5.3
69.03423	4.1
71.01340	1.4
71.04990	37.6
71.44073	0.7
73.02904	1.2
75.04485	1.7
81.03426	1.3
81.07043	0.8
82.49115	0.6
83.04966	3.0
85.02902	41.2
89.03909	5.1
93.07037	0.8
95.08565	1.1
97.02893	5.3
99.04449	2.7
105.07015	0.8
106.04121	0.7
107.08556	1.1
109.02864	0.9
109.10157	1.0
111.04436	2.0
117.03374	16.8
121.10104	1.0
125.09602	1.5
126.09920	0.9
127.03909	2.8
129.05463	8.6
131.04913	0.9
133.10030	0.7
134.03566	1.1
135.04414	1.6
137.05986	7.8
143.04781	0.7
145.02838	44.0
145.10106	0.8
147.06511	1.6
147.77808	0.7
149.05975	7.2
163.07549	0.8
175.07442	1.7
177.05463	100.0
178.05699	1.2
179.07039	6.2
182.15436	1.0
195.06491	2.1
201.16299	0.8
203.07040	0.9
205.04968	1.5
207.06514	1.0
217.08488	0.9
219.17427	1.4
223.76207	0.7
227.07077	0.7
229.78783	0.7
237.18153	0.7
259.09747	1.5
279.08661	0.8
287.09097	2.6
305.10205	0.8
321.09622	2.8
323.11273	0.9
339.10739	4.9
425.13120	0.7
467.20206	0.8
485.15268	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	485.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52815	0.8
55.01867	1.4
55.05513	1.7
57.03437	7.6
64.15717	0.9
67.05495	1.3
69.03430	5.4
69.85400	2.1
69.85728	1.6
71.04993	33.8
75.04466	2.2
79.05478	2.4
80.91831	0.9
81.03421	3.1
81.07054	4.2
83.04961	3.8
85.02899	41.9
87.04462	1.5
89.03912	9.2
91.05483	3.4
93.07055	1.8
95.04951	1.1
95.08601	1.5
97.02891	5.8
99.04436	2.8
105.07034	7.3
107.08601	1.2
109.02889	2.0
109.10126	1.7
111.04443	1.9
117.03368	19.0
119.08572	2.1
125.09641	2.7
127.03909	3.7
129.05473	8.6
131.08548	1.7
133.10115	6.6
134.03604	1.4
135.04366	0.9
137.05975	8.2
143.10641	1.3
145.02841	47.1
145.10072	1.5
146.03130	1.2
147.11635	2.5
149.05940	8.3
159.11708	1.8
163.03963	0.9
163.07573	1.2
175.07587	1.0
175.87706	0.9
177.05461	100.0
178.05832	1.0
179.07002	4.2
191.07068	0.9
195.06451	2.5
202.27077	0.8
203.06902	1.4
219.17419	1.9
287.09122	3.5
305.10211	1.3
321.09564	1.4
339.10727	5.0
371.18732	0.9
443.73523	1.0
485.16205	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1961
Annotation	Phoyunnanin D
Peak:m/z	Relative Intensity
55.05509	20.5
56.96559	14.6
63.62576	2.9
67.05521	3.7
69.74834	12.3
79.05501	4.7
83.04978	93.2
91.05482	3.3
109.02841	6.0
110.97550	4.4
118.92089	7.6
121.06542	4.3
128.06291	3.1
135.04369	3.4
136.93137	22.4
145.06488	11.2
146.14365	3.2
150.61084	3.3
150.94652	7.3
150.95650	42.3
154.94180	25.4
156.09377	3.0
159.08063	4.1
161.06010	6.7
168.95738	51.7
171.08058	7.4
172.95210	16.0
181.06544	3.6
182.07327	3.2
183.08073	7.2
184.08850	5.6
185.09605	6.4
186.96809	80.2
196.08791	4.0
197.05861	3.3
197.09634	6.5
198.06746	4.4
199.07544	20.4
199.09152	4.0
199.11220	10.9
201.09076	8.7
204.97888	22.5
209.09598	6.3
210.96848	3.4
211.07523	5.0
212.08366	12.5
213.09154	8.9
215.10678	9.1
224.98471	5.9
225.09138	40.9
226.09689	5.2
227.10732	14.1
228.97873	11.3
238.09868	12.0
242.99416	12.6
243.10098	25.8
255.10130	100.0
256.10596	4.6
315.10120	5.9
317.17880	81.3
318.18356	4.2
335.19040	27.1
335.25699	4.3
355.13171	4.4
357.14667	4.8
358.20496	2.9
367.12970	3.7
373.20618	4.2
385.14154	4.4
403.15439	3.4
411.15903	7.4
425.17526	6.5
439.18811	6.1
449.17123	3.5
453.17297	22.4
467.18597	78.3
468.18695	5.6
471.18271	41.9
485.19907	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05495	5.4
60.70920	1.2
69.03425	4.5
79.05482	1.6
80.51409	1.2
81.05997	1.5
83.04979	34.6
91.05479	3.9
91.24322	1.3
95.04946	3.1
97.04134	1.2
98.22705	3.1
104.82769	1.2
105.04527	1.7
105.07028	6.0
107.04995	1.7
109.02866	44.2
115.05466	4.6
117.07008	5.8
121.06516	8.8
128.06192	5.0
129.06978	5.0
133.06514	6.0
133.10153	4.0
135.04384	7.1
141.07011	3.2
142.07767	4.1
143.08536	5.7
145.06473	17.8
145.09976	1.2
147.04398	13.1
155.08505	2.6
156.09283	2.1
157.10060	2.6
158.07266	2.0
159.04349	1.6
159.08018	5.9
161.05975	29.5
163.49648	1.7
165.06947	2.8
166.07794	6.0
168.05705	2.4
169.06464	3.7
171.08023	6.7
173.05954	15.2
181.06383	2.8
181.10049	2.2
182.07291	6.6
183.07950	6.8
184.08812	4.1
185.05977	5.5
185.09616	6.9
186.06734	3.1
187.07549	3.0
195.08051	4.7
196.08731	1.7
197.06186	1.9
197.09552	8.9
198.06775	5.6
199.07542	19.6
199.11168	6.7
201.09048	7.4
209.09576	8.8
210.06717	1.8
211.07539	9.4
212.08315	23.6
213.09039	12.6
215.10606	5.9
223.11205	2.3
225.09064	46.6
226.09761	5.2
227.07024	1.8
227.10617	16.8
229.08636	2.1
237.09140	3.3
238.09911	8.7
239.07103	1.6
239.10660	3.4
241.08499	4.0
242.09377	2.6
243.10129	23.1
255.10143	100.0
256.10571	2.1
257.11551	3.4
259.11398	1.8
261.09119	1.5
272.30075	1.4
275.10651	2.7
283.11166	2.3
289.12137	1.6
296.11951	2.3
297.07309	1.5
299.10754	3.2
305.11655	3.4
313.12314	2.9
315.10059	2.2
317.11780	2.6
336.11340	2.9
337.11996	2.2
339.13699	2.8
343.13297	6.0
355.13211	2.1
358.15561	9.4
363.13638	3.1
365.11618	2.2
367.13232	2.8
381.14825	4.6
385.14279	3.7
391.13242	2.0
395.12552	2.2
403.15363	2.5
409.14206	6.5
438.18674	2.1
439.19064	3.4
449.17444	17.2
450.17191	2.0
467.18488	58.7
468.18732	5.9
474.73395	1.4
485.19608	32.7
486.19882	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1955
Annotation	Phoyunnanin D
Peak:m/z	Relative Intensity
53.03948	3.5
55.05500	5.7
57.93840	1.3
69.03421	4.5
69.67457	3.3
69.67849	3.0
71.04973	1.7
79.05508	2.1
83.04976	24.3
91.05473	4.3
92.27334	1.3
95.04940	6.7
103.05461	2.0
105.07024	8.7
107.04943	1.4
109.02868	71.8
115.05447	8.5
117.07011	11.1
119.04915	3.1
120.46709	1.4
121.06483	11.6
128.06224	4.3
129.06998	4.4
133.06477	10.5
135.04395	9.1
141.06969	3.1
142.07770	4.6
145.06456	23.7
145.10161	1.8
146.07185	1.3
147.04388	16.7
147.08127	2.7
153.07097	2.0
154.07764	3.2
155.08469	2.0
156.09335	2.5
157.10197	2.3
158.07289	3.9
159.04425	1.9
159.08058	5.5
161.05962	47.6
165.06993	3.7
166.07870	3.1
169.06479	3.1
169.10120	2.8
171.08086	5.8
172.08827	2.8
173.05962	23.9
173.09581	2.3
174.06688	3.0
179.08540	2.7
181.06488	1.9
181.10118	3.1
182.07205	11.6
183.08003	10.3
184.08763	3.1
185.05969	9.1
185.09613	8.7
186.06744	5.1
187.07593	4.7
187.11183	1.8
195.08124	5.4
196.08876	2.5
197.05843	1.8
197.09601	13.2
198.06723	7.9
199.07527	23.2
199.11230	7.7
201.09123	10.6
209.09615	14.5
210.10312	1.5
211.07521	16.1
212.08299	32.1
213.09055	15.2
215.10675	6.0
222.06775	1.6
223.11261	2.5
224.08426	1.6
225.09074	61.4
226.09851	5.2
227.07097	2.5
227.10609	15.3
229.08641	4.0
229.12129	1.9
231.10178	2.5
232.08748	1.7
233.09660	2.8
235.07657	2.1
237.09076	7.7
238.09892	5.8
239.07074	1.8
239.10735	5.1
241.08652	5.0
243.10144	30.9
243.12607	1.6
244.10760	2.0
249.09038	1.9
251.10750	2.9
253.08669	2.2
255.10136	51.2
255.12825	2.5
256.10605	1.6
257.11771	3.8
261.09164	1.4
271.11176	1.4
275.10843	2.4
283.11435	1.7
287.10526	2.7
288.11551	1.7
289.12192	3.8
293.11761	4.2
293.66791	1.5
296.11975	2.2
297.12408	2.2
299.10660	5.5
301.12216	2.5
303.10095	1.9
305.11761	5.0
309.12411	1.7
311.12991	4.2
313.12274	2.7
314.12854	1.7
315.10156	5.2
317.11737	4.2
318.12311	1.8
320.12012	1.9
323.10510	3.1
324.11569	2.6
325.12323	1.7
328.10794	1.5
331.13480	3.4
336.11462	2.6
337.12137	2.8
338.12851	2.1
339.13824	3.5
341.11609	1.8
343.13199	8.8
345.15189	1.7
349.12238	3.8
350.13065	2.1
351.10074	1.8
351.13800	2.1
352.10916	2.4
353.11581	2.3
353.15582	1.7
357.14868	2.7
358.15570	18.5
359.16400	2.8
363.13733	6.2
364.14694	1.7
366.12491	3.9
367.13263	3.8
369.14810	1.6
373.12027	2.0
376.16507	1.7
379.13077	2.2
381.14926	5.7
385.14502	3.8
387.13788	1.9
388.14621	2.1
391.13382	3.6
395.12909	2.7
397.14398	2.0
409.14395	7.7
421.17834	3.3
438.17392	2.3
439.19193	5.9
449.17422	29.3
450.17606	1.5
467.18494	100.0
468.19034	8.2
485.19568	46.6
485.26651	1.7
486.20010	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	485.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
53.49397	0.8
55.05260	1.2
55.05511	16.6
57.03428	2.1
57.07046	1.2
62.19831	0.8
65.03937	1.0
67.05500	9.8
69.07075	6.0
69.80980	3.4
79.05489	3.3
81.07053	12.3
83.04980	55.4
83.08604	2.2
84.65479	0.9
87.69162	0.8
91.05476	4.7
93.07037	2.5
95.04958	1.1
95.08615	6.8
97.10236	1.4
98.23404	1.6
105.07036	2.5
107.08612	1.0
109.02883	4.0
109.10142	2.0
115.05481	1.8
117.06973	1.2
121.06482	2.0
123.11702	1.0
128.06230	2.1
129.06992	1.7
133.06595	1.1
133.10115	3.0
134.98184	24.7
135.04449	1.6
141.06908	1.3
142.07790	2.1
143.08540	4.0
144.32805	1.0
145.06450	6.7
153.06915	1.0
155.08560	1.3
156.09351	2.6
157.10175	1.7
159.04514	1.3
159.08054	3.0
161.05992	5.4
165.06985	2.1
166.07813	3.0
168.05742	1.9
169.06461	2.6
170.07172	1.5
171.08025	5.5
173.05995	2.3
181.06453	1.2
182.07289	2.4
183.08073	7.5
184.08836	4.2
185.05858	1.0
185.09613	9.7
187.07533	1.9
195.08101	3.2
196.08826	1.8
197.05951	2.3
197.09618	4.4
198.06755	2.1
199.07532	12.9
199.09326	1.3
199.11227	6.3
201.09079	4.0
209.09593	5.5
211.07509	5.8
212.08337	8.9
213.09090	7.8
215.10661	4.2
225.09108	15.0
226.09883	5.0
227.10651	14.2
228.10959	1.0
237.09116	3.0
238.09883	15.9
239.10582	1.6
240.07755	1.3
241.08543	1.0
242.09407	2.5
243.10155	20.7
251.33226	1.0
255.10155	100.0
256.10535	3.4
315.09909	1.6
315.68900	0.9
351.28918	9.9
357.15262	0.9
367.12842	1.4
373.26926	3.2
375.15872	1.4
385.14429	5.6
403.15497	10.5
404.15720	1.1
438.18396	1.2
439.19043	1.6
443.09525	0.9
467.18533	28.9
468.18311	1.6
485.19568	5.1
485.26266	13.8
491.36258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
56.96555	20.2
57.07080	2.0
59.76237	1.7
64.76321	1.7
67.05506	3.0
68.73830	1.8
69.54906	7.6
71.38598	1.8
79.05479	3.0
81.07062	2.2
83.04972	36.2
92.44925	1.7
93.07033	2.1
97.96842	2.4
102.92654	1.8
106.19157	1.9
109.02886	3.0
110.97589	2.4
117.06966	2.1
118.92062	9.0
128.05164	1.6
128.98633	3.8
136.93103	19.8
142.07739	2.2
142.92268	2.0
145.06441	3.0
146.99638	3.3
150.94608	4.4
150.95619	33.4
153.07104	1.9
154.94173	24.1
161.06030	3.4
168.62595	1.7
168.95720	35.8
172.95245	23.6
183.08040	2.5
185.09637	4.5
186.96779	95.7
190.96289	7.4
195.08109	2.5
197.09612	3.8
199.07544	8.0
199.11349	2.7
201.09053	3.7
204.97859	44.4
209.98448	4.3
210.96834	4.6
211.07704	3.5
212.08298	4.1
213.09203	5.4
224.98363	9.7
225.09096	10.9
226.99950	4.7
227.07149	2.5
227.10728	4.7
228.97855	14.4
241.08560	5.2
242.09407	7.1
242.99461	11.1
243.10091	10.0
255.10167	29.0
317.17859	100.0
318.18149	4.4
333.17490	2.4
335.18958	29.0
335.25607	3.8
349.97937	2.0
358.20450	6.2
373.20639	2.7
374.71503	2.4
385.14014	2.1
395.40909	2.3
410.73474	2.5
411.15793	10.9
425.17599	6.9
453.16971	23.8
467.18625	28.9
468.19205	2.7
471.18185	39.5
485.19931	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05304	1.8
55.05513	21.4
57.58042	1.7
64.55777	1.8
67.13866	1.7
69.03410	3.4
79.05491	2.3
83.04977	94.4
91.05463	3.8
95.04964	2.4
105.07014	5.6
109.02871	3.8
115.05396	3.6
117.07017	4.3
121.06496	2.4
121.20129	1.5
128.06248	4.2
129.06973	1.9
129.41031	1.7
135.04405	3.4
141.06984	1.8
142.07796	3.2
143.08557	7.1
145.06488	10.4
149.59912	1.7
155.08553	1.8
156.09299	2.5
157.10098	2.2
159.04378	2.1
159.08063	6.1
160.00519	1.7
161.05949	10.8
165.07021	2.2
166.07768	3.2
169.06476	3.8
171.08023	6.8
173.05937	4.2
180.02673	2.1
181.06497	2.4
182.07286	4.8
183.08025	5.8
184.08841	4.8
185.05992	2.4
185.09628	10.7
187.07532	4.2
195.08066	4.7
196.08846	3.7
197.06059	1.8
197.09621	7.0
198.06732	2.4
199.07512	14.0
199.11136	8.5
200.08060	2.0
201.09103	9.0
209.09520	8.0
211.01178	1.5
211.07535	6.7
212.08295	13.5
213.08997	13.3
215.10666	8.7
225.09088	48.4
226.09764	6.2
227.10632	12.9
237.09128	2.9
238.09883	10.5
239.10493	1.7
242.09364	2.3
243.07761	2.9
243.10150	26.2
255.10144	100.0
256.10513	4.2
299.10715	1.9
315.10068	5.5
340.11029	1.7
355.13510	2.8
367.13116	3.0
373.23370	6.8
381.14194	1.7
385.14160	4.5
399.04114	2.6
403.15332	4.1
423.15744	2.0
434.71548	2.0
438.18167	4.6
439.19067	9.8
449.17545	2.6
467.18506	85.2
468.18683	6.9
485.19702	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	485.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72594	3.0
55.05512	4.0
56.96562	23.1
67.05489	4.1
67.44684	2.7
68.19453	3.4
69.13353	17.4
73.41807	3.0
83.04965	5.2
90.66242	3.7
102.92614	4.9
102.93949	3.1
110.97567	4.8
114.78674	3.1
118.92078	11.1
136.93105	20.7
150.94720	6.6
150.95647	36.6
154.94154	28.0
168.95737	54.2
172.95213	19.3
186.95096	5.2
186.96788	100.0
190.96317	4.0
191.97241	3.2
204.97835	31.2
209.98380	3.8
210.96667	4.7
224.98268	9.9
226.99786	4.1
228.97826	13.2
242.99489	19.4
270.59552	3.1
315.16177	5.7
317.14246	6.6
317.17877	97.1
335.18918	40.3
335.25528	3.7
358.20676	3.5
373.20496	5.0
411.16135	7.6
425.17493	6.7
453.17108	25.0
467.18634	12.0
471.18274	42.7
472.18295	4.1
485.20139	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
56.96562	21.8
64.45020	1.7
67.05501	3.3
69.07064	1.6
71.45274	1.7
81.07043	2.7
83.04977	43.0
84.05340	1.6
93.07076	2.0
95.08599	2.7
102.92597	2.0
107.26008	1.4
108.15665	1.7
109.02882	2.1
115.97829	1.9
117.07078	2.4
118.92116	5.4
120.93613	1.7
128.06186	2.9
128.98610	3.7
136.93114	19.0
141.07034	2.3
141.12833	1.8
142.07747	2.0
143.08524	2.4
145.06497	4.2
146.99612	3.2
150.94734	2.6
150.95610	31.3
153.07042	2.3
154.94159	26.4
161.05992	4.9
166.07903	1.7
168.95732	29.4
168.97105	2.9
171.03297	1.6
171.08026	3.8
172.95221	27.7
182.07303	3.7
183.07985	3.9
184.08875	2.7
185.04776	1.7
185.09659	2.4
186.96783	98.7
190.96222	9.9
195.08127	2.1
196.08664	2.2
197.09700	2.7
198.06738	4.1
199.07542	7.3
199.11197	3.3
201.09149	3.6
204.97839	53.0
209.98401	4.8
210.96796	5.9
211.07542	4.9
212.08301	4.8
212.98483	2.4
213.09070	7.0
214.09700	2.5
215.10614	3.9
224.98309	8.7
225.09096	16.8
226.09857	2.8
226.99898	2.0
227.07086	2.2
227.10687	5.4
227.99532	2.4
228.97832	13.4
238.09711	2.4
241.08574	6.5
242.09441	8.4
242.99350	15.6
243.10164	17.1
246.98904	2.1
255.10146	37.7
261.00742	1.8
317.17850	100.0
318.18207	6.6
335.18906	31.8
335.25681	3.3
336.19406	2.2
342.12769	2.5
355.13281	2.3
358.20578	6.9
367.13184	1.8
373.20248	2.9
385.13870	1.6
397.14706	2.3
403.15482	2.7
411.16016	7.9
425.17578	6.7
444.63065	1.7
451.13657	1.6
453.17078	24.9
467.18570	34.5
468.18762	1.9
471.18237	38.8
484.46857	2.2
485.19778	35.1
494.19800	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	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.21728	0.4
55.01867	0.6
55.05500	1.1
61.85558	0.4
67.05489	1.8
69.03410	1.2
69.07046	1.1
69.12188	3.4
71.05006	0.7
79.05484	1.7
81.03405	0.6
81.07034	2.1
81.09245	0.5
83.04979	0.6
83.08623	0.7
85.02890	1.9
87.00821	1.1
91.05464	1.4
93.07039	3.6
95.04962	0.5
95.08596	2.6
97.02859	0.8
97.06514	4.5
105.01852	1.4
105.07029	3.8
107.08587	5.2
109.06523	0.7
109.10129	3.4
111.08067	15.4
117.07007	0.7
119.08594	3.0
121.06469	0.8
121.10143	3.5
123.08022	1.5
123.11697	1.2
127.03924	0.9
131.08560	1.1
133.10126	1.4
133.60408	0.5
135.08046	2.7
135.11682	4.2
137.09593	0.7
143.08508	1.0
145.04921	0.8
145.10065	2.4
147.11668	4.5
149.09621	1.0
155.08521	2.3
157.10094	1.0
159.11679	2.1
161.09453	0.7
161.13223	1.2
163.11183	7.0
163.14726	0.6
169.10129	0.9
173.13266	0.9
176.11971	0.7
177.05432	1.0
177.12706	1.3
189.12723	5.1
189.16368	0.6
191.10225	0.5
192.46713	0.5
195.11681	0.7
197.13243	0.6
201.16444	1.5
203.05121	0.5
203.10715	0.6
203.14081	0.6
204.15068	9.7
209.13281	0.9
219.17415	100.0
220.17790	2.9
237.16150	1.0
237.18454	15.3
281.15259	0.5
313.52399	0.5
381.22241	0.6
403.26260	0.6
409.22086	2.5
467.27911	0.7
485.17859	0.9
485.24332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13353	0.5
53.03919	0.6
55.05505	7.3
57.03426	3.0
57.07056	1.8
65.03925	1.8
67.05168	0.9
67.05501	11.9
69.07064	7.6
69.25455	2.8
79.05491	5.3
81.07049	13.5
83.08598	4.2
85.06538	0.5
91.05472	53.0
92.05784	0.5
93.07034	3.7
95.04961	1.2
95.08603	8.5
97.06547	1.0
97.10164	1.9
104.06241	4.1
105.07020	11.2
106.07363	0.5
107.08569	1.9
109.10172	2.6
111.08063	0.6
121.10130	0.9
123.08053	0.6
123.11687	1.1
131.08559	0.6
133.10117	100.0
134.10481	1.4
134.98172	49.7
135.11655	0.7
147.08022	3.2
148.23029	0.5
149.09598	0.8
161.13187	0.7
171.10085	0.5
187.41690	0.6
209.01886	1.2
234.30896	0.5
277.25305	0.8
351.28903	21.4
373.27103	5.0
485.26358	26.8
486.26761	1.4
490.92749	0.6
502.13086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.4
57.03436	6.5
57.07069	1.5
67.05499	21.5
69.07067	18.4
69.40019	4.5
79.05487	6.4
81.07053	23.0
82.94604	1.0
83.05013	0.8
83.08613	6.7
91.05493	5.9
93.07041	6.3
95.08606	18.9
97.06535	1.5
97.10188	2.6
98.22746	1.6
105.07021	3.8
107.08591	2.9
109.10143	6.1
111.11731	0.9
117.97375	0.8
119.08559	2.4
121.10136	2.9
123.11707	1.9
133.10114	7.3
134.98174	100.0
135.11697	1.6
138.59906	0.9
147.11659	1.7
163.14803	1.1
175.14925	1.0
209.01884	3.0
222.43428	0.8
351.28897	37.4
352.29282	2.0
373.27173	10.9
391.27966	1.1
485.26358	66.3
486.26758	3.8
502.20993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	0.6
55.05512	8.8
57.03432	4.2
57.07066	1.6
67.05164	1.2
67.05503	16.2
69.07070	11.3
70.04848	1.8
71.05002	1.1
79.05497	4.5
81.06631	1.2
81.07058	15.9
83.08624	5.5
83.47373	0.7
85.06546	0.7
91.05498	3.3
92.86038	0.8
93.07050	4.9
95.08611	14.1
95.10555	0.7
97.06496	1.3
97.10166	2.1
105.07026	2.7
107.08583	2.1
109.10165	3.6
119.08582	1.8
121.10147	1.7
123.11684	1.1
133.10098	3.5
134.98183	100.0
135.11734	0.8
147.11624	1.0
209.01843	1.9
247.20378	0.8
247.56583	0.7
339.40533	0.8
351.28915	41.4
352.29056	2.0
373.27158	12.0
426.91467	0.8
485.26395	67.5
486.26990	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	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41744	2.3
55.05505	2.5
57.03434	7.6
57.07077	34.0
67.05505	7.0
69.07069	7.8
69.24152	4.7
69.24554	8.4
70.06566	2.2
71.08628	20.6
81.07057	10.3
83.08624	7.8
85.10175	10.6
87.04487	11.5
89.06034	4.2
91.05489	3.5
91.07832	2.2
95.08618	8.9
97.10178	3.7
98.98474	18.7
109.10135	5.3
113.58081	2.0
119.47768	1.9
133.10118	2.8
155.01056	11.6
167.00185	1.9
173.02100	2.2
313.27350	100.0
421.22937	2.0
449.26529	5.3
484.47449	2.4
485.28534	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
57.07079	29.7
58.08995	2.4
66.43623	2.1
67.05505	6.9
67.59631	2.2
69.07063	3.8
69.24253	8.1
69.24678	6.7
71.08627	15.4
77.40415	2.2
81.07051	8.0
83.08624	5.8
85.10194	10.5
87.04471	29.1
95.08601	10.9
97.10210	2.7
98.23444	4.9
98.98466	12.1
100.73341	2.2
104.08182	2.1
105.07009	2.4
109.10138	5.2
110.17211	2.3
122.97369	2.5
133.10143	3.3
155.01033	11.0
164.84752	2.2
179.18040	1.9
192.34900	2.1
213.38857	2.6
257.68436	2.3
313.23727	5.1
313.27344	100.0
449.26556	5.6
485.28696	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.05505	1.8
57.03427	1.2
57.07074	5.1
65.03935	1.0
66.24933	0.4
67.05493	1.4
68.33941	0.5
69.03404	0.5
69.07063	1.6
70.41328	0.4
70.61439	0.9
71.04986	0.5
71.08628	3.7
79.05478	1.6
81.03375	1.1
81.07040	2.2
83.04966	0.5
83.08602	1.3
85.10177	2.2
87.04494	1.1
87.76812	0.5
89.06023	0.7
89.89236	0.5
91.05475	37.9
93.07034	1.1
95.04949	0.8
95.08607	2.4
97.10128	0.5
98.98460	5.2
103.05478	1.4
104.06232	2.2
105.07020	19.4
109.10149	0.7
111.08076	1.1
121.06460	0.7
123.08064	1.2
131.08557	0.7
133.10118	100.0
134.10455	1.9
145.14549	0.5
147.08044	4.1
149.09619	0.8
153.09094	0.9
155.01009	3.5
165.09044	0.4
171.10211	0.8
173.02104	0.9
239.23825	0.7
247.05748	0.6
313.27338	22.4
314.27649	0.6
393.23944	0.6
449.26617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2895
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05510	0.5
57.03444	0.2
57.07055	0.4
65.03934	1.2
67.05500	0.4
69.85278	0.6
71.04953	0.2
78.04691	0.6
79.05492	0.8
81.03404	0.7
81.07045	0.5
85.06533	0.6
91.05476	45.7
92.05804	0.6
93.07040	0.2
103.05459	0.7
104.06239	3.2
105.07024	9.6
109.06552	0.2
111.08083	0.7
117.13723	0.2
123.08038	0.4
127.07542	0.4
129.09099	0.2
131.08560	0.5
133.10120	100.0
134.10437	2.2
141.83000	0.2
147.08051	2.2
147.09154	0.4
149.09627	1.1
153.09138	0.5
171.10143	0.7
189.11220	0.3
279.09830	0.2
313.27420	0.3
346.00934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02712	0.2
53.60692	0.2
55.02964	0.4
55.05518	1.1
65.03940	3.9
67.05503	1.6
68.99758	0.2
69.03400	0.4
69.67171	0.2
69.81485	0.5
69.81846	0.4
70.06590	1.1
72.08164	1.1
73.06525	0.5
79.05465	0.3
81.03413	0.2
82.04198	1.3
84.04492	0.8
84.08110	0.3
85.02895	2.8
86.09682	0.6
93.03388	1.3
93.75697	0.2
95.04949	0.8
97.06550	1.3
97.07635	2.5
98.03518	0.4
100.05091	0.5
104.10715	0.5
105.04504	0.2
108.02096	0.8
110.03662	2.0
111.04420	0.9
114.02991	0.4
114.10264	1.0
122.72598	0.2
124.08712	0.4
125.05971	1.3
125.07113	0.2
126.02988	0.9
128.04523	0.8
132.11299	0.5
138.03105	1.7
138.06602	0.3
140.04672	0.3
140.08237	0.3
142.02574	1.3
144.04031	2.9
152.08173	1.9
153.05450	4.9
154.06091	0.7
154.09789	0.6
156.04095	1.0
163.03880	0.3
165.81873	0.2
168.07666	0.5
170.09276	0.3
171.06528	5.3
180.07643	0.9
180.11134	0.2
181.04945	100.0
182.05298	1.8
182.09224	2.7
183.59940	0.2
184.07300	0.8
198.05077	0.6
198.08740	5.5
208.10884	0.6
216.06299	0.5
216.09781	3.3
226.11839	1.0
242.12068	0.2
252.09833	0.4
253.07085	0.2
264.05133	0.5
270.10818	3.8
271.09000	0.4
288.11890	9.1
289.12155	0.3
295.12778	0.3
306.07346	0.4
306.12964	0.5
312.15512	0.8
361.10040	0.4
378.08453	0.2
378.12946	6.6
396.13962	1.7
406.16119	0.7
408.14240	0.6
450.14957	0.6
468.16174	12.1
469.16525	0.4
486.17172	10.9
487.17490	0.6
499.19702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76072	0.3
55.02990	1.0
55.05508	1.8
56.05031	0.4
63.14437	0.3
65.03941	4.0
65.73163	0.3
67.05493	1.9
69.03414	0.9
70.06599	1.8
70.55929	0.4
72.08146	0.9
73.06555	1.3
79.05496	0.4
82.04189	1.4
82.06593	0.4
84.04502	2.2
85.02901	2.8
86.09731	0.8
93.03397	1.0
95.04958	0.6
97.06598	1.7
97.07651	9.5
98.06040	0.7
104.10746	0.5
108.02088	0.9
110.03654	2.2
111.04424	0.8
114.10279	0.5
122.22543	0.3
123.00816	0.4
124.08669	0.5
125.05972	1.7
125.06976	0.3
126.02996	0.6
128.04555	0.6
138.03116	1.3
140.04605	0.5
140.08138	0.5
141.06622	0.4
142.02592	1.0
144.04054	1.8
152.08200	3.9
153.05467	4.5
154.06131	0.7
154.09738	1.6
156.04028	4.5
156.29184	0.3
158.09273	0.3
168.07683	1.9
170.09221	0.6
171.06514	5.0
179.10440	0.6
180.07617	1.8
180.11270	0.5
181.04945	100.0
182.05360	1.9
182.09248	6.2
183.07602	0.6
184.07367	0.4
186.08772	0.3
187.49147	0.3
196.07124	1.0
197.07907	0.4
198.08734	18.2
199.09109	0.4
200.10252	2.0
208.10812	2.5
210.08736	1.0
215.06859	0.3
216.06288	0.3
216.09802	7.1
226.11850	3.4
228.09836	0.5
252.09752	1.3
270.10809	9.8
288.11880	20.6
306.12820	2.4
312.15604	0.5
378.12958	2.7
396.14059	5.4
406.16068	2.9
408.13821	0.4
450.14896	1.2
468.16125	15.7
469.16287	0.5
486.10498	0.5
486.17181	9.4
487.17953	0.4
510.89307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02999	2.8
55.05510	1.5
60.05643	1.3
60.07822	1.0
61.02926	1.4
62.16538	1.1
69.07072	1.6
69.95345	1.2
70.06573	2.6
71.04992	1.4
71.51717	1.2
72.08149	21.2
73.06541	3.7
79.05479	1.9
81.07050	1.5
85.02929	2.2
86.09718	3.0
87.20438	1.2
90.09163	2.1
91.05473	2.1
92.09702	1.1
97.02885	2.1
97.06535	12.5
97.07629	10.1
105.07018	1.4
107.04999	1.7
114.10286	28.4
117.03332	1.5
119.04961	1.5
121.06596	1.3
122.03660	2.2
131.08568	1.6
132.11317	42.1
135.04402	1.9
137.05962	46.1
145.02852	2.4
146.03395	1.4
147.04424	2.7
151.03908	1.7
161.02325	1.5
161.05956	2.2
162.06749	2.1
163.03912	10.5
164.11865	1.7
173.02328	2.6
173.05936	3.3
175.03954	1.4
181.04956	2.7
184.07375	1.7
185.13229	1.9
186.03091	1.9
189.06969	2.3
201.05458	29.5
202.07709	1.4
203.14397	1.5
205.06462	3.1
206.07278	3.5
213.05460	4.2
214.15985	1.4
215.06984	3.5
217.06546	2.2
219.17471	2.2
220.17738	2.7
231.06413	2.5
233.06017	3.5
234.06783	12.3
235.07533	3.2
245.06012	3.8
246.06885	1.8
248.08263	1.4
249.09106	5.6
251.07001	3.0
259.09659	16.8
261.05441	2.7
262.06198	16.8
263.06995	3.9
265.08542	1.9
266.09323	1.8
273.05469	3.7
274.06012	2.3
276.07758	2.1
277.08539	14.9
277.11325	1.6
279.06454	2.4
289.04886	1.7
290.05710	24.4
292.07156	2.4
293.08072	4.0
294.08936	2.5
295.09622	1.6
305.08054	38.3
306.08749	2.4
307.09714	3.9
309.11304	1.9
319.09610	2.8
322.08295	3.7
325.10822	8.0
337.10721	39.8
337.14749	2.4
338.10999	1.6
355.11734	6.4
432.78622	1.4
456.21030	1.6
486.22324	100.0
487.16354	1.6
487.22919	7.6
510.21399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01871	1.3
55.05506	11.0
56.05035	1.3
57.03431	3.2
57.07075	2.2
58.99579	16.1
59.04978	1.2
62.06089	2.5
65.03931	1.2
67.05503	38.4
69.03428	3.8
69.07053	6.4
70.06595	2.6
71.04977	2.1
71.26599	1.6
73.01142	1.2
74.26347	0.9
76.02224	66.3
76.04012	3.1
79.05494	10.0
81.03427	1.7
81.07058	26.8
83.04984	2.3
83.06110	5.0
83.08610	3.1
84.04495	22.9
85.01138	3.0
85.02892	2.9
86.99038	5.5
87.02690	1.3
88.02232	2.3
91.05489	8.4
93.07045	11.4
95.04967	5.5
95.08604	46.9
96.08930	2.0
97.02885	2.1
97.06534	2.2
99.05579	1.8
102.05556	1.1
105.07034	8.7
107.08571	7.0
109.06507	4.9
109.10152	32.9
111.08064	1.2
112.07600	1.3
113.04244	2.2
116.01678	26.5
117.07003	1.8
119.08579	12.8
121.10146	4.2
123.08067	4.5
127.03891	1.6
129.06543	5.8
130.04990	6.1
130.06897	2.3
133.10086	4.9
134.09593	1.4
135.11693	3.0
137.09625	4.9
139.05742	1.2
141.07358	1.7
142.03203	5.7
143.08546	1.0
144.01144	11.4
145.06160	1.2
145.10152	2.3
151.14815	21.2
159.11745	1.4
161.09665	2.1
161.13271	10.5
162.02199	41.7
170.02727	2.5
176.14259	1.2
178.15935	1.5
179.04846	100.0
179.14311	33.9
179.15900	1.9
180.05159	1.9
187.05353	3.9
203.14337	1.6
215.04904	1.7
216.06905	1.9
220.17815	2.4
233.05931	18.5
233.09593	2.4
236.14658	2.1
237.13092	1.8
237.18550	1.1
245.05861	2.2
291.06491	1.4
308.09036	13.1
339.17310	9.7
401.95996	1.1
411.19492	18.9
468.21829	4.2
486.15869	1.2
486.24023	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	486.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42284	1.1
55.05510	8.2
57.03432	2.1
57.07066	1.8
57.98803	1.7
58.99587	15.5
65.03950	2.2
67.05161	2.4
67.05505	35.0
69.07051	3.5
70.06572	2.0
72.08137	1.4
74.38488	1.1
76.02225	72.1
76.03975	1.6
79.05499	9.6
80.31229	1.1
81.03442	1.3
81.07053	32.7
83.04991	2.4
83.06095	3.8
83.08614	1.9
83.64346	1.1
84.04505	22.8
85.01129	1.3
86.99046	5.1
88.02236	1.9
91.05489	9.1
93.07043	12.0
93.48604	1.1
95.04955	4.8
95.08601	47.8
97.06523	1.9
99.05579	1.8
105.07021	11.5
107.04952	1.1
107.08598	8.9
109.06516	3.0
109.10159	32.1
112.03909	1.4
113.04230	3.1
114.03729	1.5
116.01663	25.1
117.07022	1.8
119.08589	12.2
121.10136	4.5
123.08043	4.0
124.98018	1.3
129.06595	3.3
130.05002	6.3
130.06851	3.3
133.10100	5.2
134.09604	3.1
135.08083	2.5
135.11653	2.3
137.09605	3.5
139.05792	2.2
141.07298	1.7
142.03188	3.9
144.01131	11.5
145.06053	2.3
149.74155	1.3
151.14818	18.6
156.08339	1.3
157.10115	2.2
161.13283	12.3
162.02194	45.6
163.03880	2.7
170.02747	2.0
177.15225	1.9
179.04842	100.0
179.14296	35.6
187.05394	2.5
201.37411	1.3
203.14215	2.3
215.04857	1.7
233.05907	17.7
233.09547	2.2
236.14659	3.6
237.13112	3.9
245.05988	3.4
254.15709	2.8
259.09540	1.8
290.17490	1.7
291.06320	1.7
307.03668	1.2
308.09091	14.0
320.06445	1.2
339.17267	13.7
341.74097	1.2
393.18436	1.7
411.19418	12.2
468.21567	6.1
486.21350	5.9
487.19186	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	487.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92163	2.3
56.96551	2.6
61.02915	11.8
61.60595	2.5
67.89879	2.3
69.03414	3.3
69.81703	5.5
69.82094	6.4
73.02882	3.5
78.49479	2.1
84.96031	6.9
85.02895	20.9
91.03961	14.4
97.02882	8.0
98.22791	2.4
98.97582	6.0
109.68310	2.3
110.97588	3.9
117.11007	2.4
120.55714	2.4
127.03879	6.0
128.98650	3.0
145.04936	8.9
163.06024	13.0
190.03497	2.3
211.02856	4.8
212.23564	2.4
219.01770	3.0
221.01201	4.0
237.02863	4.9
239.02245	6.0
257.03513	3.0
281.03183	3.5
376.09760	2.8
401.07697	4.3
443.09488	18.8
487.08411	100.0
488.09027	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
65.25170	0.5
65.25904	0.6
67.05494	1.5
67.44524	0.5
69.03417	0.9
69.07030	0.5
70.06595	0.6
70.68140	1.1
71.04990	0.8
79.05467	0.7
81.03415	1.3
81.07053	6.5
85.02916	1.3
86.09704	0.6
88.84910	0.5
89.03890	1.4
91.05492	0.5
93.06990	0.7
95.08608	0.7
97.02908	1.1
99.91739	0.5
109.02881	0.7
117.03384	1.9
118.57689	0.5
123.11720	3.0
127.03969	0.6
135.04401	1.4
145.02823	5.0
147.04384	0.7
157.01083	3.7
163.03902	9.1
177.05457	6.8
181.04785	0.6
185.04221	2.1
189.09084	0.7
209.11446	1.5
215.10677	0.6
279.75836	0.5
307.11444	1.4
324.02426	1.1
325.03128	0.9
325.12595	6.9
353.15695	9.5
371.16736	42.2
372.17035	1.6
372.57938	0.6
469.17105	1.0
487.08545	9.4
487.17795	100.0
488.18091	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	487.1942
Annotation	Rutaevin
Peak:m/z	Relative Intensity
52.39569	0.8
53.85506	0.7
62.20871	0.8
67.05506	0.9
79.05532	0.9
91.05489	1.2
93.07039	1.3
98.22612	1.5
107.08605	2.2
109.06520	1.0
119.08589	1.6
121.06563	1.0
121.10185	0.9
135.08035	1.4
147.11681	1.6
163.03915	1.3
187.51675	0.9
187.72432	0.9
191.14284	5.2
487.19360	100.0
488.19925	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	487.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91878	1.1
53.03943	1.4
55.05507	16.7
56.68612	1.2
56.96575	1.8
57.13637	1.1
69.03430	8.9
69.65139	5.4
83.04974	100.0
91.05476	8.8
97.02887	8.9
105.07030	5.6
109.85561	1.2
115.05475	2.1
117.07013	3.0
118.07798	1.5
119.04939	2.5
121.06497	2.0
128.06224	1.4
129.07010	5.0
131.08560	28.2
133.06491	2.0
135.04381	3.1
136.93146	3.2
142.07826	1.7
143.08588	2.2
145.06508	5.2
147.08005	2.5
150.94751	1.4
150.95605	12.7
154.94185	2.5
156.09341	2.4
157.10130	1.6
159.08089	6.1
160.08835	2.8
161.05960	9.2
166.07790	1.6
168.95720	7.6
169.10190	3.5
171.08086	2.8
172.95273	2.9
173.06033	2.9
175.07568	7.4
177.72984	1.5
182.07245	2.3
182.10928	1.8
183.08095	5.0
184.08868	3.5
185.09613	3.5
186.96777	12.0
187.07487	11.9
188.08304	2.9
196.08858	2.0
197.09561	6.3
197.30745	1.2
199.07491	7.7
199.11134	7.7
201.09073	1.7
204.97887	4.7
209.09618	2.4
209.98445	1.3
211.07542	9.2
211.11137	3.9
212.08353	7.0
213.09094	3.3
215.10641	10.7
224.08440	2.0
224.98396	2.6
225.09105	7.6
225.12695	5.7
226.09824	3.5
227.10635	16.6
230.13048	2.8
239.10641	13.5
241.08571	1.5
242.99388	2.2
245.11667	16.2
257.11707	32.0
261.74030	1.4
277.11996	2.5
279.70889	1.2
299.10703	1.7
299.14526	1.4
315.13821	1.5
319.19400	4.6
337.20493	6.2
337.27420	1.8
351.13678	2.1
367.12973	1.5
369.14548	2.4
387.15900	3.7
405.17065	3.6
439.19058	5.0
451.19098	21.1
455.19205	1.5
469.19989	11.1
473.19916	5.9
487.21585	13.1
503.75540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.3
56.96578	2.0
67.05493	1.8
69.03412	3.5
69.20597	7.6
81.07050	2.2
83.04975	100.0
91.05436	2.7
95.04961	1.6
103.38931	1.1
105.07002	4.0
109.02890	1.6
115.05418	1.2
116.06232	1.4
116.76826	1.1
117.07022	2.0
121.06480	4.1
128.06262	3.0
129.06989	3.7
131.08559	2.5
132.38101	1.2
133.06512	2.8
134.98241	1.5
135.04401	2.2
141.07004	3.0
142.07748	1.9
143.08559	4.1
145.06482	6.9
147.04391	1.8
150.95560	10.4
155.08575	2.0
156.09363	2.2
157.10147	2.4
158.07231	3.0
159.04449	1.8
159.08040	8.0
160.08835	2.8
161.05981	10.6
165.06969	2.8
166.07782	2.2
168.95685	1.8
169.06442	2.5
171.08057	4.2
171.11642	1.9
173.06039	1.5
175.07547	11.8
178.07713	1.9
181.06541	2.6
182.07228	3.6
183.08081	6.2
184.08809	3.9
185.09593	5.1
186.06737	2.2
186.96773	4.9
187.07555	16.1
188.08240	4.6
192.30624	1.3
193.10268	1.3
195.08051	2.6
196.08836	3.4
197.05798	1.3
197.09605	8.8
198.06721	2.7
199.07527	15.0
199.11188	11.3
200.08179	1.3
201.09076	3.2
204.97943	1.8
209.09601	3.7
211.07513	16.8
211.11156	2.3
212.06917	1.1
212.08324	11.1
213.09041	5.7
215.10635	3.0
224.08293	2.6
225.09026	14.3
226.09828	7.4
227.10645	23.7
229.08595	1.4
229.12163	2.1
239.10661	22.4
239.12990	2.3
243.10059	2.0
245.11717	33.6
255.10074	2.1
257.11713	56.0
258.12045	1.5
299.10809	1.6
319.19382	2.3
327.15894	2.2
329.11511	2.1
337.20566	2.6
337.91281	1.2
339.51605	1.3
351.13821	3.0
356.14023	1.5
369.14828	7.2
387.15738	5.6
393.14908	2.4
405.16986	4.5
439.18936	6.8
451.12994	2.8
451.19012	36.5
452.19409	1.4
469.20148	21.7
470.20428	2.0
473.19525	3.5
487.21384	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	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20581	0.4
59.13904	0.4
61.64092	0.4
69.03440	1.0
69.43558	1.3
69.43967	0.8
81.03381	0.6
81.07069	0.5
85.02898	0.8
86.09696	1.0
88.92065	0.4
91.52269	0.4
97.02878	0.7
102.16816	0.4
107.08651	0.5
115.37593	0.4
116.74220	0.4
117.03406	0.6
127.03908	0.4
133.02892	0.4
133.38010	0.4
135.04411	0.5
145.02858	0.8
145.53821	0.4
153.66893	0.3
161.97565	0.4
163.03905	6.8
181.04974	0.6
185.04236	0.6
203.05299	1.0
235.07655	0.5
259.07889	0.8
263.07068	1.1
307.09265	0.4
325.16321	1.9
341.98831	0.5
346.18588	0.4
443.16669	1.2
469.11169	0.6
487.21518	100.0
488.21942	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05487	0.4
67.05505	0.4
68.21020	0.3
69.03415	0.6
69.07045	0.7
69.10896	0.9
69.11291	2.5
70.06593	0.5
79.05479	0.5
81.07044	0.5
83.04989	0.4
84.08112	0.4
85.02899	1.4
86.09698	2.8
89.03899	0.8
92.74497	0.3
95.04948	0.4
95.08579	0.5
96.54935	0.4
97.02892	1.4
97.06528	0.8
98.23528	0.7
105.07060	0.6
107.04916	0.4
111.66793	0.4
111.92916	0.3
117.03357	0.7
123.38614	0.3
127.03922	0.7
135.04416	1.6
135.11769	0.4
137.05977	0.8
142.46486	0.4
145.02826	1.8
147.04417	0.5
150.09070	0.4
163.03879	9.7
177.05484	0.6
185.04211	0.5
195.06580	0.5
201.05412	1.0
222.06749	0.4
243.13354	0.6
260.10059	0.5
325.10538	1.2
325.16159	1.9
361.02228	0.8
379.03256	0.6
379.60580	0.4
487.21487	100.0
488.21704	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99801	0.5
67.05534	0.6
69.07059	0.6
91.05474	0.7
124.58837	0.5
142.16975	0.5
145.35391	0.5
149.15041	0.4
163.03963	0.8
225.14749	0.5
227.05489	0.7
238.49286	0.6
239.16202	1.7
271.04446	0.7
289.05402	0.7
313.16245	2.1
355.17307	4.5
371.14737	2.3
378.00778	0.5
399.16122	3.7
401.21494	3.4
443.22412	17.9
444.22971	1.0
487.21484	100.0
488.21976	5.0
503.51910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05514	2.4
67.05468	1.7
68.37834	1.7
69.20685	2.9
69.20966	10.9
79.05531	2.1
83.08546	1.8
85.02919	1.8
91.05469	6.4
93.03694	1.6
95.04945	17.2
100.11201	3.1
105.01973	2.0
105.07039	3.0
107.04955	2.1
108.04410	2.1
109.02873	100.0
111.04418	3.3
117.07031	2.8
119.08569	17.8
121.06554	2.7
121.70636	1.6
135.08044	6.0
137.05959	2.8
142.03156	1.9
145.06461	2.5
147.08046	33.7
154.03102	1.9
164.02878	3.7
172.08795	3.9
175.07581	13.4
179.05190	4.1
182.15359	2.5
186.02214	4.9
196.08763	2.1
197.09528	2.5
201.09244	2.0
211.11191	4.5
215.10684	24.3
229.12160	7.8
242.09348	6.3
257.11707	51.0
273.77292	1.9
289.08878	5.0
345.38654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05502	2.6
62.20579	1.9
79.05480	6.2
81.14510	1.9
85.02923	2.3
91.05516	2.9
95.04961	24.0
95.05460	2.6
98.23547	3.7
100.33557	1.7
105.07039	5.5
109.02879	100.0
111.04454	2.4
114.09194	4.7
116.81579	1.9
117.07008	2.9
117.18459	2.1
119.08591	19.7
121.60950	1.9
126.03791	2.1
131.03362	1.9
135.08038	7.3
147.08028	35.8
175.07574	15.3
179.05290	4.6
186.02242	6.8
201.12579	2.4
214.09898	2.9
215.10687	21.4
219.88002	2.2
229.12236	12.6
239.10687	2.7
242.09436	4.6
257.11722	51.5
289.08926	5.2
358.34009	2.0
424.54330	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	488.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45051	1.0
53.03947	1.6
57.07072	78.1
67.05487	1.6
73.06524	1.8
77.03895	1.3
79.05485	1.3
81.07030	1.9
87.04470	7.5
89.06026	100.0
90.62563	1.3
91.05478	11.8
93.07030	17.9
95.04971	6.2
95.08547	1.5
103.05479	2.4
105.04498	2.9
107.07090	2.2
107.08579	3.2
109.06509	1.8
109.50128	1.4
118.07783	2.8
119.04962	5.7
119.08588	6.2
121.06500	61.8
121.10098	1.2
123.08044	1.5
123.75767	1.2
130.08630	2.2
133.08597	60.4
133.10103	2.5
135.08051	3.5
135.11681	2.7
147.08055	13.6
149.09602	3.8
149.13158	1.9
150.06718	3.3
159.11693	2.9
163.11140	2.0
165.09108	35.3
167.10690	2.3
173.56467	1.2
177.11229	22.8
177.12688	2.7
190.03506	1.2
191.10678	2.1
205.97162	1.2
209.11736	14.9
221.13791	2.6
222.76868	1.1
227.12865	1.2
233.18999	18.6
235.13297	1.8
253.14368	4.1
271.15381	7.8
277.21594	37.0
315.18036	4.4
321.24170	6.9
359.20621	72.8
360.20938	3.7
471.33112	30.0
472.33212	2.1
488.35870	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20088	0.5
54.98635	0.7
56.96558	6.5
57.37843	0.5
67.05504	0.9
69.21982	1.4
69.22387	1.8
70.06601	1.1
74.66375	0.5
81.03386	0.9
82.15909	0.6
84.96041	1.5
85.02890	0.6
95.08604	0.9
97.54305	0.5
98.97575	100.0
105.07037	1.3
107.04949	0.5
110.97554	3.5
116.98615	42.7
123.08060	7.5
125.86257	0.5
128.98586	2.7
133.06459	1.3
134.99655	10.7
140.00175	1.5
143.00124	0.6
146.99622	1.3
151.07527	5.4
153.00731	0.7
158.99644	71.7
160.00070	0.6
161.01259	1.2
163.03938	0.6
170.99646	1.2
177.00702	78.1
195.01743	5.2
195.03308	0.8
200.02332	1.6
201.00600	0.8
207.03168	2.6
213.04335	0.9
219.01750	32.8
225.04344	3.5
228.67516	0.5
237.02800	21.2
243.05386	1.6
249.04259	2.5
260.04303	0.9
261.02744	1.0
267.05386	3.2
272.19455	0.7
279.03848	45.1
280.04239	0.8
285.06281	1.4
297.04907	7.8
309.06482	2.7
327.07404	1.6
345.08566	1.7
369.08475	1.5
387.09283	1.5
429.10672	31.0
430.10666	1.1
447.11649	2.0
489.12534	5.4
489.19333	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	489.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42341	0.6
55.05507	2.8
56.96285	1.2
56.96561	16.8
67.05471	0.9
69.20943	3.2
76.82548	0.6
81.03415	2.8
81.07062	1.2
83.04981	14.3
95.04971	2.5
98.91938	2.7
98.97574	24.7
105.07043	0.7
106.40218	0.7
106.98117	0.8
109.10140	0.7
116.98615	21.9
124.99134	2.5
127.00606	0.7
133.10130	0.7
134.99660	9.3
140.00250	0.9
143.00172	1.0
143.03783	0.8
151.00549	0.7
151.11229	0.7
153.00764	1.2
153.02235	2.6
155.05617	0.6
161.01257	0.7
161.04848	2.6
165.02277	0.8
167.03877	1.3
169.01732	1.5
171.03293	3.7
179.03766	1.4
181.01776	1.1
181.05336	5.3
183.03288	3.8
185.04839	3.2
187.02821	1.6
189.04370	0.8
191.14340	0.8
193.05312	0.7
193.48718	0.6
195.03358	0.9
197.01271	1.7
197.04794	3.2
199.02794	1.2
199.06406	11.7
199.11090	0.8
201.04398	4.3
203.05853	0.8
205.05431	1.6
207.03360	0.8
209.04903	1.8
211.02707	1.0
211.06369	1.1
213.07968	0.9
215.02313	2.2
215.05920	2.5
215.10657	5.0
217.07457	1.2
219.03212	0.6
219.13731	0.7
221.04836	4.5
223.06345	5.7
225.04266	1.2
226.05171	0.9
227.05916	1.8
227.09421	1.1
233.03337	1.0
235.06381	1.3
239.05864	6.8
241.07454	9.5
247.10083	0.8
249.04399	1.1
253.07483	2.1
257.07022	0.8
259.08582	1.4
262.07794	0.7
263.05966	1.8
265.07529	7.4
265.11029	5.2
267.08981	0.8
281.06818	1.5
283.08539	5.3
283.12189	5.3
289.07355	3.5
291.09396	0.8
299.09821	0.8
301.07413	0.8
307.08774	1.4
307.12137	4.0
317.10617	1.5
318.49710	0.7
325.13339	0.9
327.12585	7.2
331.08612	1.1
331.12424	1.7
345.13690	7.2
351.12732	0.8
369.13730	8.0
371.16534	1.4
387.14682	4.7
396.42618	0.8
429.15829	100.0
430.16162	5.7
447.16806	8.9
470.18555	2.7
489.22977	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17700	1.0
55.05504	2.3
65.83801	1.0
67.05473	1.2
69.70791	3.8
71.04987	46.9
74.05557	0.9
83.04972	2.9
87.20476	1.2
91.05516	1.4
92.08219	1.1
95.08607	1.4
99.04448	40.3
103.51669	1.2
105.07033	3.8
106.72591	1.1
115.05484	3.5
117.06997	2.3
121.06507	1.3
128.06239	2.5
129.06970	1.9
133.06474	3.0
135.04404	1.4
142.07758	1.5
145.06482	7.9
145.10081	1.7
154.07808	1.6
158.07196	1.3
159.08028	7.4
160.08722	1.2
161.05963	17.3
161.98094	1.2
171.08098	4.1
173.09602	4.1
177.55623	1.1
183.08002	1.6
187.07593	7.5
188.08263	5.5
189.09082	35.6
190.09525	1.6
199.07590	2.1
201.09093	48.8
202.09390	1.3
209.06047	1.9
210.06718	2.1
211.07504	5.1
212.08347	4.8
213.09125	16.6
214.39890	1.3
215.07002	18.4
216.07578	1.4
225.09082	100.0
226.09578	3.7
227.10733	1.3
229.08600	20.2
230.09383	8.4
231.10170	29.4
243.10152	53.2
244.10490	2.4
268.50946	1.1
297.05392	4.7
311.12671	2.5
329.13788	1.8
349.14291	4.8
373.14313	51.1
374.14716	2.6
391.15359	84.8
392.15671	3.0
393.02814	1.4
447.18283	1.7
453.17084	1.6
471.17932	9.2
489.18906	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	489.2094
Annotation	Ala His Phe Asp
Peak:m/z	Relative Intensity
56.96558	0.8
57.07355	0.4
60.64468	0.4
67.05487	0.7
71.44216	0.5
79.05479	0.7
80.94849	1.6
81.07047	0.7
91.05486	0.8
93.07035	0.6
95.08604	0.5
98.97598	1.1
105.07034	1.0
107.08597	0.6
109.06538	0.5
116.98609	1.1
118.61057	0.4
119.08574	1.2
121.10101	0.8
133.10127	1.0
134.99672	0.8
135.11726	0.4
137.09610	0.5
195.06561	0.5
199.06493	0.6
209.08755	0.4
209.13306	0.5
215.14326	0.5
227.06004	0.4
231.75165	0.4
240.92751	0.5
265.07489	0.4
265.11130	0.5
290.79071	0.4
325.17590	1.8
341.17227	3.9
368.85129	0.4
369.12805	0.6
369.16806	7.0
385.19632	0.8
401.19351	3.3
411.17691	0.5
424.13379	0.4
429.19644	9.0
430.19400	0.7
461.21268	0.5
489.20929	100.0
490.21289	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.2
55.05507	14.0
57.03431	14.6
57.07076	3.8
65.03936	2.0
67.05500	60.4
69.07063	16.8
69.23865	6.2
69.24274	2.1
71.04987	1.9
77.03928	1.8
79.05492	40.7
79.05952	2.8
80.39005	1.3
81.07053	60.0
83.04986	2.3
83.08611	8.0
85.06528	1.4
91.05477	25.3
92.97572	1.4
93.07033	52.5
93.07603	2.9
95.04961	5.9
95.08601	44.7
95.09216	2.5
97.06546	2.9
97.10098	1.7
98.98461	82.0
99.08107	2.2
105.04527	2.7
105.07025	19.6
107.08587	32.3
107.54951	1.4
109.06520	1.6
109.10152	23.7
111.08061	2.5
113.09690	1.4
117.06986	8.6
119.08548	16.8
121.10140	24.9
123.08045	2.1
123.11700	9.5
126.02587	1.3
131.08557	15.7
133.10126	13.9
135.11673	20.7
136.99945	7.2
137.09618	1.3
137.13298	2.9
139.11279	1.5
145.10123	12.9
147.11656	11.5
149.09610	1.9
149.13248	12.4
151.14848	1.8
155.01025	74.5
157.10118	1.3
159.11713	13.6
161.13202	7.3
163.14786	9.7
173.02104	1.7
173.13235	10.0
175.14828	3.7
177.16386	1.4
187.14827	5.6
199.14981	1.4
201.16344	1.5
211.03662	3.6
219.63606	1.3
220.09923	1.4
223.14647	1.3
223.16780	1.6
229.04738	7.7
243.21098	18.1
261.22131	38.0
275.19977	1.3
277.21661	2.0
299.23550	1.7
317.24741	16.3
335.25766	100.0
336.26038	5.7
340.63007	1.5
347.44806	1.3
415.22446	4.7
456.74036	1.4
471.25034	14.7
489.35205	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01886	1.0
55.05511	19.4
57.03431	4.1
57.07071	3.1
58.04618	0.7
59.05004	4.2
65.03939	4.1
65.67857	0.7
67.05501	100.0
68.05833	1.3
69.03450	0.9
69.07066	13.6
69.07442	0.9
69.22174	2.2
69.22601	2.3
71.04987	3.4
73.79783	0.6
77.03924	1.2
79.05489	32.6
81.07055	38.1
82.07401	0.8
83.04997	1.5
83.08620	8.5
85.06539	3.1
91.05477	27.1
93.07039	40.2
95.04958	5.3
95.08600	25.3
97.06544	1.8
97.10179	3.1
99.08102	1.1
105.04532	2.2
105.07021	19.5
107.08589	19.6
108.58018	0.7
109.06507	2.0
109.10149	57.3
111.08083	3.3
115.05437	0.8
117.07016	6.7
119.08574	25.0
119.09422	1.3
121.10136	14.9
123.08077	1.3
123.11707	1.6
125.09664	2.0
129.06970	3.8
131.08554	12.4
133.10123	13.0
135.11684	9.2
137.09627	2.8
139.11168	1.3
141.06966	0.9
143.08574	3.2
145.10123	11.5
147.11682	9.9
149.13228	5.6
151.14810	0.7
155.08586	2.2
155.10626	3.1
157.10117	3.2
159.11710	8.7
161.13258	5.9
163.14845	2.1
169.10168	2.4
171.11736	3.0
173.11765	17.9
173.13286	7.4
175.14748	3.1
183.11697	2.0
185.13310	3.0
187.14848	2.9
197.13316	2.4
199.14886	2.0
201.16418	1.9
211.14809	1.6
213.16446	0.9
225.16322	1.1
226.77837	0.7
227.17920	1.1
229.14317	1.2
241.19531	1.5
243.21109	1.9
259.20663	1.8
261.22144	9.8
267.21231	0.9
271.20422	1.1
273.22211	1.8
285.22354	1.9
299.23840	1.2
315.23074	1.2
317.24829	2.7
363.25192	1.1
377.27100	2.2
379.29938	6.1
391.28613	1.4
397.31009	10.2
398.31155	1.2
415.32166	2.4
427.60452	0.7
433.33243	1.4
471.34616	6.0
489.35748	82.0
490.36029	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25031	0.7
52.14973	0.7
53.03937	2.0
55.01872	1.2
55.05506	20.0
55.15663	0.9
57.03428	4.4
57.07070	2.3
58.23266	0.7
59.04998	3.6
60.62448	0.7
65.03936	2.4
67.05496	92.3
69.03429	1.1
69.07064	15.2
69.76382	1.4
71.04987	4.5
79.05484	31.6
81.07049	41.6
83.04977	2.0
83.08611	10.5
85.06541	3.7
91.05470	26.0
93.07034	37.5
95.04965	5.7
95.08595	27.9
96.08942	0.7
97.06545	2.0
97.10175	4.6
99.08094	0.9
103.36759	0.7
105.04514	1.5
105.07018	27.1
107.08582	20.1
107.09259	1.3
109.06509	1.8
109.10144	56.7
110.10437	1.0
111.08095	3.4
112.51453	1.0
115.05406	0.9
117.07008	8.8
117.57143	0.7
119.08564	28.2
121.10134	16.8
123.08088	1.2
123.11723	2.3
125.09673	1.0
129.07005	4.1
131.08554	16.8
133.10118	19.0
135.08089	0.8
135.11685	10.2
137.09641	3.1
139.11113	1.6
141.07031	1.1
142.07806	0.9
143.08542	6.1
145.10106	15.4
147.11674	14.6
149.13214	6.0
151.11221	0.8
155.08557	2.9
155.10641	2.5
157.09087	0.9
157.10107	5.4
159.11687	12.2
161.13228	7.3
163.14835	1.9
169.10129	3.3
171.11658	5.3
173.11751	15.0
173.13289	9.9
175.14835	4.1
181.10129	0.9
183.11752	3.4
185.13216	5.1
187.14777	4.9
189.16409	0.9
195.11732	0.8
197.13269	2.8
199.14897	3.7
201.16423	2.2
209.13443	0.8
211.14903	0.9
213.14647	1.3
213.16423	2.1
214.29352	0.8
215.17862	0.9
225.16379	1.5
227.18048	1.7
229.14212	1.2
239.17894	0.9
241.19485	1.3
243.21179	2.7
245.18950	1.0
259.20615	2.2
261.22137	10.2
267.21094	1.1
271.20551	1.6
273.22180	0.9
285.22198	2.2
297.22092	1.0
299.23694	1.7
301.21875	0.9
303.23328	1.5
315.23328	1.0
317.24741	2.1
363.25510	1.3
369.31665	1.4
377.26849	2.4
379.29901	10.0
391.28488	1.4
397.30933	14.7
397.35925	0.8
405.29953	0.8
415.32175	4.2
433.33112	2.1
435.32495	0.9
450.57083	0.9
465.77676	0.8
471.34622	9.8
489.35727	100.0
490.36093	6.7
504.14291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.53065	0.5
55.05508	14.3
69.27170	2.9
73.20541	0.4
75.38533	0.5
75.83898	0.5
77.99014	0.4
79.88449	0.4
81.68418	0.4
83.04975	100.0
84.00798	0.4
84.05298	1.0
154.04887	0.4
175.04008	0.5
183.80113	0.5
267.09854	0.9
289.75430	0.5
339.70132	0.5
349.11230	0.5
416.02890	0.5
428.57901	0.6
510.06680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51516	4.0
55.05507	10.2
60.01894	4.6
67.05485	4.6
69.03434	4.2
69.07058	7.5
70.62528	8.8
76.33437	5.3
79.05475	10.2
81.07060	7.1
83.04978	9.3
85.06570	5.3
91.05464	8.4
93.07021	10.9
95.04950	8.2
97.02854	5.9
97.06530	6.3
98.13758	4.3
98.23355	4.2
105.07030	15.5
107.08585	100.0
109.10168	6.6
119.08550	6.9
121.10110	25.0
123.08075	5.0
131.08586	16.5
133.10117	97.6
135.08038	9.2
135.11693	11.2
143.03394	5.0
143.08556	6.4
145.10153	7.6
147.11705	9.8
149.13257	14.8
150.25624	4.2
153.09138	6.3
158.10835	5.2
163.14835	17.1
167.06985	6.5
173.13217	32.9
175.14841	6.5
191.14293	65.3
209.15390	18.5
494.51614	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70288	10.1
64.69358	12.2
67.05493	16.2
69.03413	15.2
69.68384	42.7
70.06590	100.0
85.02921	26.9
98.22625	13.9
105.07049	13.7
119.08533	15.9
123.11700	16.3
124.77042	11.0
127.03900	16.6
142.60414	13.6
147.11700	15.5
165.06650	10.4
189.12791	24.7
207.13852	26.9
242.11920	15.6
243.10132	20.3
267.78940	12.1
269.84253	10.8
280.88501	13.0
302.29184	11.2
490.19833	68.6
491.32132	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	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
57.07062	6.0
63.81988	3.9
67.05490	8.2
69.03426	11.3
69.07056	10.3
73.76370	4.8
79.05465	12.5
81.07072	21.3
83.04971	19.0
83.08613	12.8
91.05462	12.4
93.07025	16.7
95.04947	17.4
95.08595	14.6
97.02879	20.5
97.06510	16.0
105.07025	17.3
107.08572	25.9
109.06516	34.6
109.10143	32.2
111.08061	6.0
119.08542	7.3
121.10155	32.5
123.08065	10.8
123.11697	9.6
125.02283	4.3
125.09647	5.2
127.26256	4.0
131.08540	11.4
133.10158	39.7
135.08061	6.8
135.11635	6.4
137.13159	4.3
142.62315	4.3
147.11617	8.3
149.13310	8.4
151.11179	11.6
153.09085	21.1
163.14774	16.4
167.14304	15.3
173.13232	20.1
181.15712	4.0
191.14281	34.6
209.15356	100.0
227.16490	9.1
452.56744	4.1
465.35837	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05501	3.9
57.03428	6.6
57.07064	3.3
69.03434	18.8
69.07055	7.0
69.09329	22.0
70.06593	5.9
71.04970	11.2
72.08140	3.4
79.05461	9.1
81.07047	15.4
83.08591	7.5
85.02892	14.4
87.00816	5.2
91.05457	14.1
93.07035	14.6
95.04948	14.2
95.08591	12.1
97.02895	38.1
97.06530	28.2
99.08098	3.5
105.07004	10.3
107.08580	17.6
109.02901	4.5
109.06503	46.4
109.10131	9.1
115.07533	8.2
119.04893	5.2
119.08574	12.3
121.10142	25.4
123.08016	20.2
123.11622	3.6
125.02348	10.4
127.49433	3.2
129.01726	3.5
129.05539	4.3
131.08571	16.0
133.10117	34.4
135.04396	5.3
135.08032	12.3
135.11607	4.3
143.03407	4.8
147.04402	8.3
147.11702	16.9
148.04764	6.8
149.02324	8.9
149.09598	5.2
149.13306	3.2
153.09097	23.7
155.82263	3.1
163.03885	22.8
163.14801	5.2
173.13277	20.3
174.27563	3.9
175.14755	4.7
181.04854	8.5
191.14297	48.4
209.13342	5.0
209.15347	100.0
227.16318	38.8
229.03397	3.8
243.10120	13.0
244.10500	12.0
245.11664	7.9
247.04405	4.5
255.15942	9.2
293.13672	5.3
446.15088	8.0
462.16409	4.7
490.23364	6.2
491.14664	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01860	2.9
57.03429	2.2
58.02092	0.8
59.04984	0.9
59.71551	0.6
61.02903	1.7
67.05489	1.9
68.99774	1.8
69.03430	12.3
71.04992	1.6
73.02911	2.1
79.05487	1.0
81.03411	11.6
81.07068	1.0
83.04975	3.4
83.08606	0.7
84.92651	0.7
85.02899	30.0
87.00830	14.0
91.05460	1.3
91.29917	0.8
93.07086	1.5
95.04965	1.6
95.08630	3.6
97.02882	11.3
97.06532	1.3
99.04430	4.2
99.08066	1.4
105.01860	13.6
105.07004	1.5
107.08598	1.1
108.94648	0.8
109.02878	10.5
109.06518	4.2
111.04459	1.5
111.08075	0.8
117.01814	1.0
119.08597	2.3
121.06515	2.2
121.10121	5.4
123.08064	100.0
124.08384	1.2
125.09622	0.9
127.03913	22.5
129.01820	1.1
133.10130	2.4
145.04950	8.8
145.10144	1.5
147.02856	1.0
147.11710	1.9
149.09612	6.5
151.11192	7.4
153.09106	1.1
159.02875	5.4
161.13231	1.5
163.03925	1.5
163.11203	1.4
167.10687	3.4
171.11598	0.8
181.12253	5.9
189.12766	2.4
191.14183	1.0
205.12166	1.1
207.13768	12.4
209.15332	1.5
213.03954	1.4
221.89713	0.8
225.14835	36.1
226.15300	1.0
227.16469	1.2
231.04980	6.3
249.05997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
55.05495	5.3
56.30770	3.4
56.96553	4.9
67.05505	26.2
67.50602	3.7
69.03413	5.6
69.07069	11.4
69.68832	2.8
71.04985	3.4
79.05495	15.6
80.94867	2.9
81.03413	5.9
81.07054	34.2
83.08619	7.1
85.02904	14.9
85.06544	4.6
91.05464	16.0
93.06503	3.2
93.06996	14.0
95.04974	10.1
95.08595	12.7
97.02889	5.6
97.06529	4.9
97.10162	5.7
98.22694	5.6
99.08080	3.0
105.07018	15.3
107.04953	3.2
107.08579	13.6
109.06540	5.2
109.10129	6.7
111.08092	4.0
117.07030	3.9
119.08585	13.5
121.10153	8.4
123.11688	3.3
127.03906	7.5
131.08577	7.3
133.10129	10.5
135.11699	12.3
137.09601	4.0
142.93843	4.4
145.10136	7.7
147.11688	11.3
149.09639	6.9
149.13248	5.2
159.11688	6.8
161.39282	4.0
163.11241	3.8
181.12250	10.3
195.13867	10.7
199.13283	4.2
203.12538	2.9
213.14832	5.0
237.35933	3.3
252.86864	3.0
257.19107	4.1
275.19983	30.2
293.21066	8.1
399.17627	7.4
459.19879	4.8
491.20377	100.0
491.27402	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	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.9
54.38835	4.7
55.01878	6.7
55.05503	40.8
55.55474	4.9
57.03438	12.8
59.05009	8.6
65.03947	7.2
65.07559	4.6
67.05501	100.0
69.03426	17.6
69.07067	19.9
71.04987	8.2
74.56113	4.9
79.05491	76.0
81.03410	19.1
81.07055	48.0
83.04982	7.4
83.08630	15.0
85.02896	46.0
85.06538	5.1
91.05471	65.3
93.07041	69.0
95.04970	20.4
95.08600	42.6
97.02895	22.3
97.06503	6.1
97.10176	20.7
105.07035	43.7
107.04945	8.3
107.08589	75.4
109.02869	5.9
109.06516	7.9
109.10140	64.2
117.07022	14.8
119.08578	40.8
121.10128	34.8
125.09635	21.4
127.03918	13.1
129.06992	6.2
131.08575	21.6
133.10141	34.1
135.08112	8.2
135.11703	6.7
137.09613	21.7
139.11171	10.0
142.93823	12.5
145.04933	10.5
145.10121	24.4
147.11731	14.1
149.09630	9.7
150.09123	10.8
155.10695	11.3
157.10136	7.1
159.11716	20.4
161.13156	5.0
163.11180	13.1
169.10243	5.9
171.11697	6.1
173.11755	68.8
173.13170	8.0
180.08621	9.3
187.50612	5.3
189.11198	18.9
209.11797	5.5
211.13255	10.9
223.13359	5.9
235.16974	5.4
238.10645	5.8
239.17998	8.6
257.18906	6.1
275.20108	62.9
293.21082	9.9
303.45547	5.4
348.23236	6.0
430.16525	6.0
449.49615	4.8
475.81970	5.8
491.20325	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69913	5.1
54.58295	5.6
55.05509	50.2
57.03437	7.1
61.02918	7.1
63.50395	5.6
65.03941	6.1
67.05503	81.3
69.03424	29.6
69.07063	44.9
69.39486	26.2
71.05003	8.7
79.05483	53.7
81.03415	21.2
81.07053	56.6
83.08624	23.0
85.02895	46.9
91.05474	55.6
93.07041	37.0
95.04971	13.7
95.08588	32.7
97.02899	18.9
97.06538	13.9
97.10156	43.6
98.97678	6.3
99.04493	8.4
105.07034	52.2
107.08597	74.5
109.02901	9.4
109.06480	6.1
109.10162	46.1
117.07033	13.0
119.08573	30.5
121.06487	7.2
121.10149	28.1
123.11689	7.1
123.93410	5.4
125.09620	45.9
127.03927	17.8
127.85375	6.1
131.08577	25.5
133.10144	31.4
135.11725	15.5
138.12779	10.5
139.66183	5.3
145.04922	12.0
145.10085	20.3
147.11684	21.7
149.09621	13.6
155.10651	9.6
159.11723	8.9
163.11162	7.7
173.11751	54.5
173.13162	9.1
177.16464	13.6
189.11191	45.5
205.33038	7.1
212.16428	9.8
239.17941	6.5
257.19070	9.2
272.93640	5.9
275.20035	100.0
293.20978	11.2
310.23846	14.7
430.16089	10.2
490.30820	10.5
491.20105	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	491.1549
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
50.10023	0.4
51.02386	0.3
53.03936	1.2
54.99242	0.3
55.01859	1.2
55.05256	0.5
55.05510	7.4
57.03428	2.3
58.66994	0.3
58.83657	0.4
61.02906	1.1
67.05492	1.1
68.99787	0.7
69.03426	8.5
70.06560	0.4
70.60897	0.6
71.04980	0.7
73.02901	1.6
79.05471	1.9
81.03420	5.4
81.07078	0.5
83.04976	57.8
84.05315	0.5
85.02899	12.3
87.00803	2.4
91.05474	1.9
95.04977	1.0
97.02885	4.7
99.04457	3.0
101.02370	0.4
103.03933	3.0
105.01839	1.0
105.07029	1.4
107.04960	0.5
109.02872	5.4
115.03916	1.4
115.05383	0.4
117.06973	0.8
117.31326	0.4
119.08601	0.6
121.06491	1.6
123.04433	2.1
127.03905	9.5
128.06259	0.8
129.01778	0.8
129.06998	1.3
131.08534	2.4
133.06500	0.6
137.05988	2.5
141.06947	2.0
142.07704	0.8
143.08537	0.8
144.05698	0.5
144.09335	0.7
145.04967	2.8
145.06505	2.1
145.10136	2.2
147.08025	0.5
153.06982	0.8
154.07721	2.1
155.08525	1.0
155.18314	0.4
157.06505	1.1
157.10123	0.6
158.07251	3.5
159.02864	0.8
159.08078	4.1
159.11659	5.6
161.05972	3.3
169.06451	0.5
169.10124	3.8
171.08028	0.7
172.08820	10.2
173.06000	0.6
173.09615	3.8
174.06752	1.9
175.06165	0.5
175.07532	2.1
178.07816	0.5
179.08507	1.9
181.06525	0.7
182.07259	4.3
183.08025	1.6
184.05199	0.4
185.05928	2.5
186.06725	0.5
187.05988	3.5
187.07544	2.7
187.11168	7.6
189.05418	0.6
197.09604	4.0
198.06822	1.6
198.10342	1.6
199.07538	2.8
200.08316	13.0
201.05495	1.1
201.09093	5.5
203.07007	2.2
205.06897	0.3
211.07372	0.8
213.05618	0.5
213.09065	3.3
214.06233	0.6
215.10658	100.0
216.10974	3.1
224.08430	0.4
225.09131	4.2
226.09802	1.9
227.07048	0.7
227.10603	0.6
228.07787	3.7
229.08229	0.4
239.10631	0.8
241.08553	2.5
243.10149	72.9
244.10481	2.6
245.08070	0.9
251.10876	0.5
255.10083	1.0
257.11688	1.9
267.10199	0.8
269.08090	1.1
271.09421	0.4
273.11179	1.9
279.10159	0.8
285.11154	3.5
309.11234	1.0
320.09988	1.3
323.12747	0.8
333.11212	0.4
351.12183	0.6
405.15320	1.3
429.15234	0.5
436.99588	0.4
447.16510	13.5
448.16672	0.7
473.14166	1.4
490.73541	0.5
491.15466	57.0
492.15845	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
55.01832	2.1
57.03397	2.0
58.65435	0.5
59.04951	0.7
59.11766	0.5
61.02889	1.3
62.32290	0.4
65.03913	0.5
67.05476	0.9
68.99744	1.0
69.03424	12.1
69.92093	0.6
69.92440	1.3
70.06591	2.2
71.04948	1.3
73.02880	1.8
75.04430	0.5
79.05463	1.2
81.03411	9.0
83.04976	0.6
84.04430	0.6
84.08115	1.0
85.02895	18.1
86.09689	1.1
87.00372	0.4
87.00820	5.9
89.05969	0.8
91.05454	1.5
93.07007	0.7
95.04913	2.0
97.02885	6.3
99.04444	4.8
103.03917	2.3
103.07501	0.6
105.01887	3.4
105.06997	1.4
107.04915	0.6
108.79024	0.5
109.02190	0.6
109.02865	8.1
109.06475	0.9
117.01836	0.7
117.06941	0.5
119.04898	1.0
119.08580	0.6
120.08118	0.6
121.06479	1.2
123.04372	1.6
127.03900	13.7
128.06172	0.7
129.01831	0.9
129.06978	1.2
131.08517	1.6
133.06493	0.9
137.05948	1.8
141.06960	1.3
143.08484	0.9
144.09274	0.6
145.04951	3.2
145.06483	1.5
145.10086	1.4
147.02885	1.0
152.03357	1.3
154.07719	1.7
155.08502	1.2
157.06554	1.1
157.10098	0.6
158.07233	2.2
159.02936	4.2
159.08057	2.2
159.11655	1.4
161.05978	4.7
167.08459	0.6
169.10114	2.1
170.07228	0.5
171.08037	1.2
171.77068	0.5
172.08804	3.0
173.06044	0.5
173.09625	3.6
174.06807	0.7
175.07520	6.6
177.05428	0.6
178.07736	0.8
179.08508	1.3
180.06552	4.3
181.06856	2.7
182.07231	3.8
183.07964	1.6
184.05075	0.7
185.05896	1.5
185.09563	1.7
186.06712	0.7
186.10516	0.5
187.06003	1.1
187.07527	2.2
187.11176	3.1
189.03906	0.8
189.05458	1.7
195.08107	0.7
196.08778	0.7
197.09621	4.4
198.06699	1.2
199.07545	4.8
200.08299	6.0
201.09071	5.4
207.67590	0.6
210.06689	0.6
213.09096	3.1
214.09758	0.5
215.07153	0.9
215.10655	16.7
216.11006	0.6
225.09048	4.2
226.09808	0.7
227.10504	0.5
228.07814	3.3
229.12216	0.8
230.80693	0.6
231.04938	2.0
239.10692	1.0
241.08615	1.8
242.09390	1.8
243.10139	100.0
244.10435	3.5
255.10193	2.4
257.11703	3.4
267.10208	1.7
283.09644	0.7
285.11218	6.1
327.12192	0.6
351.12527	1.2
405.15536	1.0
429.15305	0.8
431.22491	0.6
436.49609	0.5
447.16467	25.4
448.16895	1.2
455.13388	0.5
473.14240	1.5
491.15430	30.0
491.30087	4.9
492.15729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01839	2.0
57.03409	2.3
57.61200	0.6
61.02893	1.9
61.39274	0.5
67.05466	0.9
67.26395	0.5
68.99763	1.1
69.03075	0.7
69.03423	11.5
69.29990	2.1
71.01321	0.8
71.04950	0.8
73.02873	2.4
73.51395	0.5
79.05475	0.9
81.02970	0.6
81.03409	10.4
85.02899	13.8
87.00815	5.8
91.05438	2.2
95.04929	2.6
97.02878	5.5
99.04456	3.3
103.03897	1.5
105.01835	2.6
105.07025	0.9
107.04877	0.8
109.02876	9.2
117.01754	0.8
119.04926	1.0
121.06503	1.3
123.04375	1.7
127.03906	10.4
129.01817	1.7
129.07005	1.2
131.08556	1.0
133.06458	1.8
137.05946	1.7
141.06941	1.6
143.08563	1.1
144.05725	0.6
145.04918	2.5
145.06413	1.1
145.10124	1.5
147.02829	0.7
147.07999	0.6
153.06879	0.6
154.07697	1.6
155.08485	1.0
157.06456	1.0
158.07269	2.7
159.02885	2.9
159.08003	2.0
159.11624	1.3
161.05965	5.8
165.06950	0.8
167.08455	0.9
169.10086	2.3
170.07304	0.7
172.08768	4.5
173.09637	3.9
175.07524	7.4
178.07811	0.6
179.08511	1.9
181.06517	1.0
182.07277	3.8
183.07999	1.5
184.05220	1.4
185.05981	1.5
185.09543	1.5
187.06021	0.9
187.07518	1.5
187.11130	3.9
189.05447	1.0
195.08093	0.8
197.09579	5.7
198.06680	1.1
199.07495	5.3
200.08322	6.2
201.09074	7.5
203.07014	1.0
210.06757	0.6
211.11208	1.1
213.09113	3.0
214.09793	0.8
215.07361	0.8
215.10651	17.5
216.10988	0.8
225.09129	4.9
226.09959	0.8
227.07025	0.6
227.10519	0.6
228.07785	4.1
231.04948	1.0
234.19348	0.6
239.10718	1.1
241.08548	2.3
242.09317	1.2
243.10144	100.0
244.10503	3.9
255.10092	3.6
257.11700	2.5
267.10153	1.9
271.09665	1.0
285.11176	5.7
378.38901	0.6
405.15167	0.9
447.16449	17.6
462.16394	0.9
472.65128	0.6
491.15433	20.2
492.15244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74939	0.4
53.03955	1.6
55.01889	1.5
57.03455	1.3
61.02949	0.9
62.38618	0.4
68.99800	0.6
69.03426	9.0
71.05000	0.9
73.02934	1.9
76.94019	0.4
79.05516	1.0
81.03414	7.1
83.05011	0.8
85.02897	12.6
87.00827	4.7
91.05492	1.2
93.07053	0.7
95.04964	0.9
97.02883	4.5
99.04433	2.5
103.03928	1.3
105.01867	2.9
105.07074	1.2
107.05002	0.5
109.02874	6.7
117.01884	0.9
121.06512	1.4
122.64992	0.4
123.04417	0.7
127.03907	10.2
129.01863	0.9
129.07043	0.6
131.08578	1.0
137.05983	1.1
145.04955	2.7
145.06500	1.0
145.10136	1.2
147.02899	1.2
147.39058	0.4
149.06013	0.7
154.07819	1.5
155.08592	0.7
158.07275	1.7
159.02837	3.3
159.08061	1.4
159.11647	1.1
161.05978	2.5
167.08511	0.5
169.10143	0.9
171.08115	1.3
172.08826	2.5
173.09599	1.9
175.07518	6.0
178.07831	0.7
179.08461	0.6
182.07291	1.1
184.05228	1.1
185.05869	0.7
185.09723	0.4
187.07584	1.1
187.11218	1.8
189.03876	0.6
189.05435	1.1
192.07710	0.6
195.08130	0.6
197.09624	4.5
199.07524	4.3
200.08325	3.3
201.09090	5.9
203.98787	0.5
210.06754	0.5
213.09152	1.0
215.10652	17.1
225.09033	3.8
226.09636	0.5
227.06978	0.5
227.10585	0.4
228.07776	8.5
231.04915	2.3
239.10657	1.1
241.08551	2.5
242.09116	1.6
243.10149	100.0
244.10542	3.2
255.10127	2.2
257.11679	1.9
267.10107	1.0
277.95529	0.5
285.11243	7.8
287.89490	0.5
300.52036	0.5
429.15128	1.6
446.15543	0.5
447.16461	16.9
448.16391	1.0
455.13257	0.6
473.13983	1.2
491.15210	18.3
492.15372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01850	0.7
55.05495	0.5
57.03405	0.8
61.02899	0.6
67.05495	0.5
69.03423	3.5
71.42471	0.4
73.02882	0.6
81.03405	2.4
83.04961	0.5
85.02923	3.1
87.00798	1.6
91.05467	0.8
91.39235	0.5
95.04948	0.7
97.02859	1.2
99.04420	0.9
105.01816	1.0
106.76994	0.4
109.02837	1.8
121.06395	0.5
126.70434	0.5
127.03885	2.8
129.06938	0.8
131.08618	0.5
132.63689	0.4
133.28993	0.4
137.05992	1.9
141.06940	1.5
145.04924	0.6
145.06497	0.4
145.10081	0.9
153.06952	0.6
154.07787	3.1
155.08356	0.8
158.07260	0.9
159.02924	1.0
159.04311	1.0
159.08051	0.7
159.11607	0.5
161.05997	2.3
165.06926	0.5
167.08528	0.8
169.10129	6.2
172.08842	1.0
173.09586	1.2
174.06766	0.4
178.07751	0.5
179.08556	2.4
181.06470	0.9
182.07240	4.7
183.08049	0.7
187.07535	0.8
187.11179	1.1
197.09608	12.3
198.06772	0.7
198.10072	0.8
199.07492	1.1
200.08261	1.8
201.09035	1.8
207.08073	0.5
210.06859	0.7
211.07466	0.9
213.09024	0.5
214.93671	0.5
215.10677	4.7
225.09076	5.6
227.10626	0.5
228.07762	2.4
239.10773	0.7
241.08557	1.9
243.10144	100.0
244.10501	3.6
255.10075	0.8
285.11288	0.9
315.08496	0.5
352.05487	0.4
364.66153	0.4
447.16467	3.2
449.30707	0.4
469.61407	0.5
491.15402	15.4
492.16058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01850	0.7
55.05495	0.5
57.03405	0.8
61.02899	0.6
67.05495	0.5
69.03423	3.5
71.42471	0.4
73.02882	0.6
81.03405	2.4
83.04961	0.5
85.02923	3.1
87.00798	1.6
91.05467	0.8
91.39235	0.5
95.04948	0.7
97.02859	1.2
99.04420	0.9
105.01816	1.0
106.76994	0.4
109.02837	1.8
121.06395	0.5
126.70434	0.5
127.03885	2.8
129.06938	0.8
131.08618	0.5
132.63689	0.4
133.28993	0.4
137.05992	1.9
141.06940	1.5
145.04924	0.6
145.06497	0.4
145.10081	0.9
153.06952	0.6
154.07787	3.1
155.08356	0.8
158.07260	0.9
159.02924	1.0
159.04311	1.0
159.08051	0.7
159.11607	0.5
161.05997	2.3
165.06926	0.5
167.08528	0.8
169.10129	6.2
172.08842	1.0
173.09586	1.2
174.06766	0.4
178.07751	0.5
179.08556	2.4
181.06470	0.9
182.07240	4.7
183.08049	0.7
187.07535	0.8
187.11179	1.1
197.09608	12.3
198.06772	0.7
198.10072	0.8
199.07492	1.1
200.08261	1.8
201.09035	1.8
207.08073	0.5
210.06859	0.7
211.07466	0.9
213.09024	0.5
214.93671	0.5
215.10677	4.7
225.09076	5.6
227.10626	0.5
228.07762	2.4
239.10773	0.7
241.08557	1.9
243.10144	100.0
244.10501	3.6
255.10075	0.8
285.11288	0.9
315.08496	0.5
352.05487	0.4
364.66153	0.4
447.16467	3.2
449.30707	0.4
469.61407	0.5
491.15402	15.4
492.16058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03947	3.7
55.01863	2.3
57.03434	1.6
61.02914	1.6
65.03924	0.8
67.05485	1.1
69.03429	12.6
69.53317	1.6
69.53726	2.4
71.01343	0.8
71.04989	1.6
73.02905	1.3
77.03925	2.3
79.05497	4.5
81.03411	9.1
82.13646	0.8
83.04993	0.9
84.91180	6.5
85.02902	19.6
91.03961	1.0
91.05475	22.5
93.07042	51.7
95.04967	11.3
95.08582	1.6
97.02879	7.5
97.06532	1.2
99.04464	3.7
103.05451	2.3
105.04520	4.8
105.07044	2.2
107.04965	3.1
109.02884	3.1
109.06519	1.2
121.06500	73.5
122.06007	1.3
122.06802	1.6
123.04407	0.9
123.08109	1.8
127.03889	5.4
131.04962	3.7
133.06502	2.2
134.03609	1.4
135.04454	1.0
139.07559	1.6
145.04974	6.4
149.05972	100.0
150.06407	2.0
151.07559	2.2
158.53329	1.0
163.02707	1.5
163.03905	5.3
163.06065	1.4
163.07532	1.0
167.07033	70.1
168.06508	5.6
178.24243	0.7
197.09630	1.3
202.57445	0.7
210.06754	1.1
213.05539	1.0
215.10648	2.5
225.09062	7.5
227.07080	1.3
228.07803	23.5
229.08260	1.6
243.10156	66.8
244.10564	2.6
311.11246	3.3
325.08951	1.7
327.38580	1.0
360.95996	0.8
373.31110	0.8
392.75278	0.8
394.57401	0.8
407.24573	0.9
429.15274	1.8
447.16235	3.2
473.14789	1.0
491.15564	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	491.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14982	0.6
52.69688	0.6
55.05486	1.1
60.55839	0.6
67.05450	0.8
68.05012	1.7
68.88795	0.7
69.03396	2.3
70.06542	1.2
71.42857	1.0
78.93417	0.8
79.05471	1.6
81.07025	1.9
83.04982	4.0
84.04475	3.1
84.30824	0.7
88.02220	3.4
90.30490	0.8
91.05429	2.3
93.06997	1.2
95.04961	4.4
105.07001	4.3
107.08562	0.9
109.06473	3.8
112.19493	0.7
114.05494	1.6
121.06512	5.8
129.06953	1.4
130.05017	1.3
133.06508	3.7
134.02710	1.4
135.08037	3.9
142.03210	0.9
143.08540	1.2
145.06435	3.1
149.09471	0.7
153.06963	0.8
155.08533	2.0
158.07304	0.7
159.07986	5.0
165.06932	3.5
166.07776	3.2
167.08572	1.4
168.09381	0.9
171.07893	1.4
172.08786	1.9
173.09631	0.9
179.05263	1.1
180.09306	1.8
181.10085	2.7
182.10870	1.4
183.08029	6.9
184.08908	0.9
185.09578	2.2
195.08034	2.0
195.11583	1.0
196.08849	0.7
197.09628	2.9
198.10385	12.2
199.11076	1.0
208.08932	3.5
209.09631	5.2
210.10350	1.7
211.07549	5.3
211.11148	1.3
213.12741	10.0
223.11111	8.3
226.09885	13.1
229.12209	1.1
241.12202	100.0
242.12502	3.3
243.10132	4.4
263.06821	1.4
322.95688	0.8
336.26163	2.3
364.68777	0.7
388.78125	0.7
393.29858	0.8
445.31479	17.5
446.30518	0.8
463.32309	10.2
464.30972	8.4
473.13861	0.9
491.15649	1.6
491.31934	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05502	1.5
58.43178	0.5
65.03934	0.7
65.90282	0.5
67.05482	0.7
68.05016	1.8
69.03411	2.4
70.06577	0.7
79.05470	1.7
81.07021	1.8
83.04978	5.2
84.04502	3.3
85.02899	0.8
88.02193	2.6
88.03975	0.9
91.05475	2.9
93.07005	0.6
95.04967	6.1
98.23421	1.5
105.07010	5.3
109.06509	4.0
114.05512	3.1
121.06506	8.4
122.02686	0.8
129.07004	1.1
131.08562	0.8
133.06514	4.1
134.02708	2.0
135.08066	3.9
141.07004	0.6
142.03159	0.7
142.07759	1.2
143.08508	1.3
144.97130	0.7
145.06497	3.9
147.08041	1.0
152.32860	0.6
153.06940	1.1
155.08511	2.0
159.08026	4.9
165.07018	4.4
166.07762	3.5
167.08521	1.9
169.10037	0.8
171.07954	1.5
172.08797	1.9
178.07729	0.7
179.05356	0.8
180.09300	2.2
181.10060	2.6
182.10873	1.1
183.08037	8.8
184.08815	0.7
185.09590	3.2
190.07878	0.9
195.08057	1.7
195.11731	0.8
196.08714	0.7
197.09569	1.8
198.10376	12.3
199.11057	1.0
201.09262	0.8
208.08794	2.4
209.09618	4.5
210.10384	2.7
211.07503	5.5
211.11163	1.3
213.12715	12.0
215.10513	0.7
217.08170	1.3
223.11169	7.8
226.09830	12.6
241.12212	100.0
242.12613	3.1
243.10132	4.5
263.06894	1.2
336.26175	1.7
445.31436	10.2
463.32553	7.0
464.30978	6.5
473.13974	0.8
491.31915	23.8
492.32050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.05024	2.1
56.96557	25.4
59.05045	0.7
67.05498	2.7
78.55164	0.7
79.05473	1.5
81.03407	7.9
81.07043	2.1
81.64430	0.7
83.08596	1.1
84.96011	0.9
88.42884	0.6
91.05455	1.8
93.07011	1.9
95.04961	8.6
95.08579	2.1
98.91951	2.0
98.97578	40.4
99.05555	0.7
100.11230	2.2
102.05534	5.2
105.07022	3.0
106.98064	2.4
107.04918	0.9
107.08591	3.4
109.06505	1.1
109.10165	1.3
116.97778	1.8
116.98614	32.9
117.06985	0.7
119.08556	2.2
121.06519	1.3
121.10139	5.3
123.04453	0.9
123.08039	1.4
123.11696	2.2
124.99127	4.9
127.00669	1.1
129.02245	1.4
131.08551	1.1
133.10094	1.3
134.99641	14.4
135.08009	1.0
135.11708	2.4
140.00156	1.6
143.00133	2.5
143.08482	1.2
145.10104	2.5
147.03308	1.0
147.08026	1.1
147.11664	1.2
148.73019	0.8
149.09567	1.3
151.00661	0.9
153.00670	1.7
153.02223	1.0
157.01669	0.9
158.01247	0.7
159.11687	1.2
163.11209	4.9
169.05405	0.8
170.08098	0.8
171.03270	3.9
171.11630	1.0
173.13248	0.9
175.02722	0.8
177.02356	0.7
179.03856	0.9
181.01741	1.6
181.05324	4.2
182.47296	0.7
183.03358	0.8
185.04884	1.5
191.03793	2.5
195.03230	1.3
197.01204	1.8
197.04883	3.4
199.02788	1.3
199.06419	9.7
201.04395	0.8
207.03214	1.6
207.07033	1.0
209.04836	47.9
213.04323	1.2
215.02232	3.3
215.05901	2.1
217.07492	0.8
219.06888	1.1
221.04823	7.9
225.04347	1.8
225.07986	0.9
227.05890	45.4
235.06441	1.6
237.08029	1.6
239.05843	6.1
247.06287	3.8
249.07997	3.1
249.11578	1.6
250.07552	3.2
251.05911	2.2
253.07498	1.4
255.09033	0.8
261.08051	1.3
263.05865	9.2
265.07526	3.0
267.09073	3.1
267.12518	4.5
269.07013	1.2
271.10214	1.9
279.08862	1.4
281.07031	4.8
285.13794	1.2
289.11142	1.8
291.12543	1.0
297.18576	1.0
304.08862	0.8
307.08551	8.1
307.11887	1.1
309.13672	1.6
315.12610	15.2
315.19516	1.5
333.13748	14.5
335.13281	1.1
345.13873	1.6
353.14273	2.7
356.15488	1.5
371.15335	9.0
389.16391	3.3
407.17114	1.6
413.16318	100.0
414.16714	5.0
414.22620	2.1
426.35806	0.9
431.17383	82.8
432.17657	3.8
432.23828	2.5
449.18402	22.1
450.18582	1.7
454.18869	2.1
472.19864	1.9
474.25015	5.3
491.19882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43050	1.1
56.96561	48.5
67.05498	3.4
69.90791	1.1
79.05485	1.9
81.03403	2.7
81.07052	1.9
84.96053	3.6
93.07030	1.9
95.04967	2.7
95.08616	1.5
97.10180	1.3
97.96790	1.5
98.97578	27.3
101.94621	1.0
105.07047	1.9
106.98070	2.5
107.08604	2.4
110.97591	1.7
112.99177	2.3
115.00694	3.9
116.98622	18.5
119.08611	2.1
121.10125	2.1
123.11681	1.4
124.99136	9.1
125.09615	2.3
127.00661	11.2
128.98630	1.4
129.02298	1.4
131.00119	2.7
133.01721	2.5
134.99644	10.5
139.00548	1.4
143.00169	5.9
144.00893	1.5
145.01717	41.0
145.10071	2.1
149.01212	3.9
151.00726	1.5
158.01338	1.7
161.01245	5.0
162.01930	3.2
163.02776	51.0
168.03416	1.6
169.01689	1.3
171.03377	1.3
175.02776	2.0
177.05952	1.2
181.01770	1.9
181.03825	5.9
181.05266	1.2
183.03354	2.6
186.04404	3.5
193.05409	1.9
195.03290	4.7
195.06950	1.5
197.01215	3.4
197.04883	2.3
199.02711	5.6
201.04359	2.7
205.05318	1.7
209.04820	3.4
211.02721	2.8
211.06390	2.0
213.04408	3.9
215.02280	6.2
215.05980	1.5
221.04842	3.6
225.07990	2.9
227.05968	2.1
233.08394	1.8
239.05911	4.5
247.10124	1.5
249.04549	1.3
249.07916	2.0
249.11649	3.4
251.05928	3.0
251.09358	1.4
255.09137	1.3
267.05173	1.5
267.12729	5.3
271.10059	1.6
283.10043	4.1
285.11597	3.5
289.08029	1.6
289.10931	6.0
295.10236	2.3
299.09494	1.6
301.11035	15.2
303.09418	2.2
303.12616	9.4
313.10922	9.5
315.08618	2.2
315.12650	1.6
319.12033	6.9
321.13785	2.9
329.07190	1.5
331.12173	10.3
333.13776	1.9
345.13824	4.5
349.13354	2.4
353.14291	5.4
363.14749	4.9
371.15277	82.8
372.15768	5.5
389.16321	100.0
390.16681	4.3
407.17203	2.5
412.17920	10.9
413.16281	18.8
431.17441	35.9
432.17703	2.3
449.11975	2.0
449.18384	38.8
450.18784	1.7
472.19983	5.5
473.18396	9.4
491.19565	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	491.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63993	0.3
53.03940	0.7
55.05508	15.3
62.98252	2.9
67.05507	0.5
69.31113	1.8
81.07047	0.8
83.04974	100.0
84.05299	1.2
91.05475	0.4
93.07063	0.5
94.46335	0.3
95.08606	0.6
98.09698	0.3
98.22626	0.3
98.98489	0.5
105.07040	0.5
109.06576	0.4
109.10192	0.5
110.59470	0.3
121.06490	1.0
124.93773	4.0
128.06084	0.3
131.08528	0.7
145.06528	0.5
147.04407	0.8
147.08040	0.6
155.01033	0.8
156.96364	4.3
159.08109	0.4
161.09531	0.5
182.15717	0.3
190.79736	0.3
198.97382	0.4
199.07556	1.4
216.21327	0.3
225.09093	0.8
235.11127	0.4
237.12733	1.1
243.13857	0.5
279.13849	0.4
281.11722	1.8
281.15024	0.4
289.12326	0.4
291.13824	1.3
307.13266	3.9
309.14996	0.9
320.29602	0.9
335.12720	0.9
337.27499	0.9
345.18491	0.6
351.29010	0.6
373.17856	1.9
391.18970	5.9
459.18817	6.1
460.19107	0.5
473.23059	0.5
491.21396	15.1
492.21622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.05513	16.4
57.03439	14.8
57.07061	5.0
58.25219	1.3
59.12613	1.4
60.49450	1.5
62.82575	1.6
62.98261	3.7
65.03972	3.5
67.05503	60.0
68.05838	1.6
69.06763	1.7
69.07072	20.3
70.62632	3.1
71.05000	2.2
71.08626	2.3
79.05490	20.0
81.07054	58.1
83.04956	2.5
83.08626	10.9
85.06561	1.9
91.05479	17.4
93.07041	17.9
94.93874	1.4
95.04955	2.7
95.08603	65.7
95.09222	3.5
97.06503	4.0
97.10143	6.4
98.98463	77.7
105.07036	12.0
107.08581	12.8
109.06510	1.6
109.10139	20.6
111.08124	2.2
117.07000	1.5
119.08573	9.8
121.10141	9.7
121.18092	1.5
123.11764	8.2
124.93748	1.8
125.09676	2.5
131.08546	3.7
133.10115	8.3
135.11679	7.2
136.99980	6.3
137.13264	3.5
142.68832	1.4
147.11700	5.5
149.13229	6.1
151.14845	2.1
155.01036	81.0
156.96387	5.7
159.11671	1.8
161.13242	4.7
163.14842	3.6
173.02148	2.0
175.14780	3.1
189.16295	1.9
190.39513	1.5
194.39905	1.5
196.73245	1.5
211.03705	5.3
215.12819	3.8
229.04694	7.1
237.77879	1.6
245.22621	10.2
259.20590	5.4
263.23724	15.3
276.56018	1.6
324.74265	1.6
337.27353	100.0
338.27560	3.2
459.18753	4.5
473.26569	19.7
490.44931	2.2
491.21475	16.0
491.36209	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	491.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68626	2.1
55.05508	16.6
57.03434	14.3
57.07075	5.9
67.05157	4.0
67.05501	52.9
69.07055	17.1
69.95126	5.9
79.05475	16.4
81.07049	59.8
83.08628	13.7
85.06496	2.1
87.61370	1.7
87.62077	2.0
88.07619	2.4
91.05470	14.3
92.94077	2.0
93.07050	19.3
93.26664	2.1
94.92476	2.0
95.04939	5.5
95.08599	54.6
97.06522	5.8
97.10174	6.1
98.29362	2.2
98.98461	79.1
99.03786	2.1
105.07012	10.7
107.08575	11.3
109.10130	17.7
110.73074	2.4
111.08071	4.5
119.08572	6.7
121.10139	7.7
123.11710	7.4
125.82909	2.1
133.10124	6.9
135.11690	4.3
136.99951	6.5
137.13229	5.4
147.11685	3.4
149.13313	5.4
155.01025	75.8
161.13289	3.9
165.03648	2.1
175.14806	4.7
211.03696	7.3
211.29465	2.0
229.04666	6.8
233.08775	2.7
245.22670	9.6
256.26526	2.5
263.23615	12.3
303.55865	2.8
331.21344	2.4
337.27332	100.0
338.27515	4.1
440.60092	2.3
473.26630	13.7
491.36771	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03938	0.8
55.01861	1.5
57.03426	1.4
61.02892	0.7
65.03931	1.7
67.05495	2.8
67.75102	0.6
69.03425	1.7
69.07052	1.0
70.43546	1.1
71.04984	0.7
77.03928	0.8
81.03414	1.2
81.07052	1.7
83.04979	0.9
85.02892	4.5
87.00827	2.3
87.06494	0.6
91.05515	0.8
93.07051	1.1
95.04964	4.3
95.08596	1.2
97.02905	1.7
97.06512	1.7
99.04451	2.3
105.01865	2.6
105.07019	2.2
107.08576	2.5
108.02075	3.2
109.02901	1.8
109.06464	0.6
109.10165	1.7
111.04429	1.2
119.08545	1.3
121.10115	3.2
123.08084	1.9
123.11729	0.8
125.06037	0.7
127.03926	2.8
131.08604	1.7
133.10124	5.0
135.11691	0.9
139.11145	0.9
141.05453	2.7
145.04993	0.7
147.11690	2.7
149.13252	1.9
151.03902	100.0
151.05014	11.4
151.11107	1.0
153.09113	1.8
161.06021	1.5
165.12753	1.7
170.81679	0.6
173.13214	3.2
183.39734	0.6
191.14281	4.7
196.93347	0.6
199.11150	0.9
208.12120	0.6
209.15341	9.7
227.16402	26.7
231.04959	1.0
243.10237	1.8
244.10464	1.5
245.11794	2.2
337.50989	0.7
492.15793	0.8
492.22403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.6
57.03442	8.3
67.05515	15.6
69.03418	17.9
69.07059	9.5
70.06589	33.3
70.78247	7.6
72.08154	28.4
79.05507	7.1
81.03419	7.7
81.07079	12.3
84.08158	39.5
85.02911	14.3
85.06565	8.1
86.09721	8.4
87.00800	6.4
87.04475	10.3
91.05508	15.6
93.07042	16.3
95.08620	8.0
97.02891	16.8
104.07114	17.8
105.01883	9.2
105.07060	37.1
107.08571	19.5
108.04505	8.5
109.02882	16.7
109.10150	7.7
109.59731	6.6
112.24223	6.4
114.10310	12.4
117.03350	12.0
119.08594	60.7
120.08102	14.5
121.10139	17.0
127.03911	16.1
131.08575	25.0
133.10135	46.9
136.07576	18.5
145.02843	28.3
145.10118	21.2
147.11676	9.4
149.09631	11.5
149.31223	7.7
150.05492	9.0
150.09128	19.6
163.03911	8.0
173.13283	22.6
175.14824	100.0
177.05441	45.3
188.22879	7.7
191.14339	36.3
209.11734	37.0
209.15350	12.8
227.12794	21.1
231.05046	8.3
474.33313	72.7
492.20105	15.2
492.27780	8.3
492.34219	28.3
493.29166	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.6
63.30376	2.8
69.03428	3.7
69.07056	4.6
70.38892	2.8
70.79043	5.6
79.05498	6.6
81.03410	4.6
81.07093	6.5
83.04968	4.8
85.02901	12.3
85.06558	6.0
87.00812	4.8
91.05480	12.5
93.07040	12.2
95.08612	6.4
105.01866	7.1
105.07032	15.6
107.04960	2.9
107.08588	65.6
109.02866	3.6
109.06562	3.0
109.10137	7.4
119.08573	9.6
121.10138	22.7
123.08106	4.0
127.03934	8.3
131.08542	13.4
133.10123	100.0
135.08060	6.5
135.11713	10.0
145.04863	3.2
145.10117	3.9
147.11667	5.8
149.09630	5.4
149.13237	8.3
158.10822	3.8
159.02902	2.7
163.14824	12.5
163.88004	2.6
173.13226	38.5
175.14821	18.0
191.14302	71.6
192.14626	2.9
209.15392	13.2
227.12898	3.6
394.24814	2.9
481.72424	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
54.50776	3.9
55.05500	8.3
57.03426	10.0
59.54399	4.0
64.46227	3.7
67.05511	6.7
69.03431	30.9
69.07070	13.0
70.06583	12.1
70.50884	8.8
71.04990	5.5
72.08162	6.6
79.05474	5.7
79.64771	4.9
81.03415	17.7
81.07047	18.2
83.08620	10.9
85.02905	53.9
87.00822	25.4
89.03920	9.2
91.05480	16.8
93.07050	16.1
95.04964	21.2
95.08614	20.5
97.02884	26.3
97.06525	27.8
99.04458	17.2
105.01865	25.5
105.07029	24.7
107.08593	19.0
109.02879	17.4
109.06512	48.9
109.10164	20.3
111.08077	4.8
115.07575	10.4
117.03367	22.9
119.08568	33.5
120.08083	5.4
121.10159	23.3
123.04434	6.4
123.08053	13.0
123.11680	4.9
127.03898	37.8
131.08572	17.3
133.10130	73.2
135.08037	5.0
137.06000	10.9
137.09657	5.4
137.36909	4.3
142.40005	4.2
145.02832	54.3
145.04933	14.7
145.10132	7.4
147.11705	36.1
149.13231	5.0
151.11214	5.7
153.09106	19.0
163.14787	11.4
165.12854	10.4
173.13222	28.3
175.14828	39.1
177.05460	92.9
180.06483	5.7
181.04930	6.1
191.14299	55.7
193.16006	5.8
200.08139	5.5
209.15352	100.0
210.15686	4.4
215.10632	9.0
216.11015	6.8
227.16399	79.1
234.98511	5.0
243.10173	38.0
244.10547	56.3
274.31433	4.4
286.11652	5.2
339.11002	10.6
343.39215	6.1
440.08167	5.2
448.16940	20.5
467.81372	4.6
492.15701	32.6
492.30508	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67149	3.5
52.85791	3.1
53.03942	6.4
55.01860	4.9
55.05513	4.0
57.03432	5.0
59.04980	3.6
61.02914	4.3
61.41129	3.4
61.61558	3.7
66.76865	3.3
67.05509	5.4
69.03429	23.5
69.07068	6.1
70.06581	5.5
70.76104	4.3
71.04990	6.6
72.08144	3.8
73.02912	5.5
79.05503	7.3
81.03400	18.4
81.07063	17.5
83.08644	4.9
85.02905	47.4
86.09699	4.3
87.00823	23.8
89.03924	11.5
91.05489	14.6
93.07037	11.4
95.04970	16.2
95.08604	11.7
97.02898	16.0
97.06532	27.8
99.04444	11.1
105.01859	19.6
105.07010	20.5
107.08591	20.2
109.02879	14.0
109.06512	41.4
109.10160	21.3
111.08056	6.9
115.07560	8.2
117.03372	23.7
117.07019	4.0
119.08554	26.6
120.08135	3.6
121.10149	16.8
123.04421	4.7
123.08035	6.6
123.11722	5.9
127.03909	26.0
131.08569	9.5
133.10118	66.9
135.08083	8.1
135.11703	7.2
136.07584	4.6
137.05983	7.0
138.06296	6.7
143.08540	3.6
145.02847	52.5
145.04933	8.5
145.10091	6.2
147.11681	29.1
149.05975	11.8
149.13217	5.2
153.09102	13.4
163.14867	8.1
165.12733	10.1
173.13219	23.5
175.14793	42.5
177.05452	100.0
180.06602	7.0
181.05011	8.9
191.14302	47.7
193.15858	8.3
209.15355	94.9
209.17241	7.1
215.10797	4.8
216.11186	5.4
227.16403	79.1
228.16837	4.7
231.05028	5.5
243.10112	20.7
244.10477	38.8
285.11041	3.7
294.15240	3.9
339.10904	9.6
448.16708	11.4
492.15625	20.7
492.30759	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	492.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05515	0.9
57.03440	7.3
59.04981	1.1
65.03946	1.3
67.05504	5.3
67.05799	1.1
69.03416	8.9
69.07053	2.1
69.51878	2.0
69.52267	2.0
70.06584	8.6
78.88986	0.8
79.05491	4.0
80.05011	2.6
81.03407	1.9
81.07051	2.7
82.02939	2.1
82.06572	3.4
83.04975	1.6
84.04473	1.6
86.05550	1.8
86.06061	27.0
86.06582	1.5
87.04461	9.4
91.05469	6.1
93.03396	1.3
93.05806	1.2
93.07046	4.7
95.04948	3.3
95.08587	2.0
96.04492	4.0
96.08147	0.8
97.06523	1.7
98.06046	33.8
105.07018	7.5
106.06523	1.3
107.04964	1.8
107.08589	4.0
108.04459	5.1
108.08107	7.7
109.06519	3.0
109.10120	1.3
110.06036	16.2
111.08093	1.3
112.07588	5.0
115.05457	1.1
116.07089	0.8
117.06977	2.9
119.08570	6.1
121.06505	2.8
121.10101	2.1
122.05991	2.8
122.09648	2.8
123.08056	4.1
124.07568	7.2
125.09647	1.5
126.09212	1.0
128.06232	2.0
129.06998	3.0
131.08582	5.8
133.06473	2.7
133.10121	6.1
135.08047	3.5
135.11685	2.1
136.07562	33.5
137.06032	1.1
137.09627	2.9
138.05519	4.1
138.09102	2.1
139.07497	0.8
141.06998	1.0
142.07771	2.7
143.08563	5.5
144.09349	1.2
145.06480	1.3
145.10071	5.5
147.08066	5.8
147.11642	4.5
148.07542	1.7
149.05962	1.7
149.09587	2.6
150.05450	1.1
150.07907	1.5
150.09129	30.8
151.11140	1.7
152.07060	19.1
155.08505	1.8
156.09370	2.3
157.10104	8.6
158.07251	0.9
159.08017	4.7
159.11697	4.7
160.08827	1.5
161.09616	5.6
161.13234	2.2
163.11166	1.3
164.07057	36.6
165.07195	1.2
166.07613	1.3
167.08527	1.2
168.06544	1.6
168.09169	0.8
169.10088	5.6
170.10858	1.5
171.08078	2.4
171.11649	7.4
172.08751	1.0
173.09625	5.7
173.13242	3.3
175.07539	1.7
175.11169	6.6
175.14656	0.8
177.12743	1.1
178.08614	12.0
179.08542	1.8
181.10138	3.7
182.08174	7.9
183.08075	1.6
183.11682	4.9
184.12430	1.7
185.09605	3.9
185.13235	6.1
186.10370	0.9
187.11192	3.1
189.09129	1.4
189.12721	5.9
191.14279	5.7
193.10159	2.3
194.10800	2.3
195.11714	3.9
196.09702	12.2
197.09616	3.9
197.13275	2.8
198.10364	3.5
199.11182	7.3
199.14755	5.3
201.12715	1.9
202.12277	1.0
203.10655	1.4
203.14330	2.2
206.08145	4.5
207.11610	2.0
208.12473	1.3
209.09682	1.4
209.13257	5.2
211.11125	3.7
211.14772	1.3
212.11993	1.6
213.12723	12.0
214.13582	5.6
215.10732	1.1
215.14313	2.4
217.12195	1.0
217.15863	1.2
219.11671	1.6
219.13789	1.8
222.10635	1.2
222.14000	1.4
223.11157	3.5
223.14812	2.0
224.09154	13.9
224.12550	1.3
225.12685	2.6
225.16118	0.9
227.10760	1.5
227.14294	17.1
229.15973	1.4
233.15308	1.6
235.11223	2.2
236.12004	1.5
237.12729	7.2
237.16457	4.3
239.10625	1.9
239.14326	3.4
241.12277	3.8
241.15854	1.2
244.13449	1.1
245.15314	6.6
247.14735	4.3
248.14948	1.2
250.13403	2.3
251.14265	2.0
255.13843	5.7
255.17361	2.3
263.16483	2.6
264.11520	1.2
265.15897	16.7
267.13766	1.4
267.17358	1.8
272.12842	1.3
275.14191	2.2
283.16818	6.8
290.13824	1.3
293.15317	17.1
294.15176	1.0
298.17957	1.2
301.18002	2.4
311.16336	8.1
312.19568	2.2
316.19022	0.9
322.17947	1.3
326.17352	2.5
329.17493	1.4
330.20837	0.9
332.20169	1.0
340.19159	4.9
341.19104	1.0
342.16983	1.6
344.18735	1.3
350.21133	4.4
358.20010	4.1
360.19492	2.4
368.22247	11.0
378.20609	14.1
386.22995	2.1
396.21652	30.2
397.21982	2.2
403.84674	0.9
414.22714	100.0
415.23047	5.7
432.23804	12.6
456.23468	2.3
474.24838	31.0
475.25378	2.0
492.19299	1.4
492.25751	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	492.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92152	0.6
53.03958	0.6
55.01871	4.1
55.05513	1.2
57.03431	5.8
65.03939	1.4
67.05487	4.3
68.05022	0.8
69.03421	8.1
69.07066	1.6
70.06583	6.9
71.04992	0.6
71.42861	0.7
72.08169	0.6
78.21057	0.5
79.05489	5.2
80.05022	1.7
81.03427	1.4
81.07040	3.2
82.02940	1.1
82.06572	3.0
82.11285	0.6
83.04989	1.6
84.04533	1.1
85.02901	1.0
86.06063	23.6
86.06584	1.2
87.04453	8.1
91.05478	5.0
92.13728	0.5
93.03419	2.3
93.05774	0.7
93.07034	4.8
94.06565	1.2
95.04962	2.9
95.08627	2.6
96.04478	3.3
96.08126	1.9
96.97897	0.5
97.06541	1.1
98.06051	30.9
102.48779	0.7
103.05447	1.0
105.07014	6.4
107.04984	1.6
107.08575	5.1
108.04468	5.7
108.08117	8.1
109.06519	1.8
109.10188	1.4
110.06037	14.4
112.07584	2.9
115.12550	0.5
115.13779	0.6
117.07022	1.6
119.08562	5.7
120.08118	0.9
121.06487	3.6
121.10145	2.1
122.06042	2.7
122.09698	2.6
123.08068	3.9
123.11769	0.7
124.07585	5.1
127.04005	0.7
128.06306	0.8
129.07005	2.5
131.08574	4.9
133.06503	2.2
133.10110	5.6
135.08064	2.3
135.11690	1.4
136.07567	29.9
137.05956	0.7
137.09604	4.1
138.05469	3.6
138.09151	2.0
141.06964	1.6
142.07793	1.7
143.08557	5.7
144.09212	0.8
145.06503	1.1
145.10114	5.2
146.09636	0.8
147.08031	3.1
147.11702	2.9
148.07526	0.9
149.05997	1.5
149.09624	2.6
149.13310	0.7
149.63797	0.6
150.09128	27.0
151.11169	0.9
152.07054	19.5
153.09158	0.6
155.08542	2.8
156.09360	2.2
157.06435	1.0
157.10109	7.7
159.07982	4.2
159.11652	3.7
161.05946	0.7
161.09598	4.7
161.13252	2.6
163.11238	1.2
164.07051	36.8
165.07124	1.7
167.08586	2.4
167.27252	0.6
168.06589	1.9
168.09282	1.0
169.10115	4.1
170.10913	1.8
170.76018	0.7
171.08112	2.0
171.11681	7.6
173.09616	6.6
173.13278	3.9
174.10327	0.6
175.07552	1.3
175.11189	4.4
176.08173	0.6
176.12013	1.2
177.09137	0.8
177.12823	1.3
178.08636	11.1
178.12234	1.4
179.08594	1.9
179.10414	0.5
180.09286	0.9
181.10117	3.1
182.08144	7.9
182.10852	0.8
183.08066	1.3
183.11650	3.7
185.09631	4.7
185.13239	5.6
187.07495	0.9
187.11198	2.3
187.14774	0.7
189.09096	1.3
189.12738	4.9
191.10643	0.7
191.14272	5.2
193.10164	2.2
194.10986	1.9
195.08182	0.8
195.11690	4.1
196.09698	9.8
197.09648	2.2
197.13289	2.7
198.10440	1.7
199.11177	5.7
199.14825	4.2
201.12781	2.3
203.10748	2.0
203.14378	1.8
206.08089	3.8
206.11684	1.7
207.11751	1.4
207.13673	0.6
208.12473	0.8
209.09656	2.0
209.13220	5.6
210.10550	0.9
211.11208	3.2
211.14833	1.2
212.11989	2.5
213.09254	0.9
213.12715	9.6
214.13536	4.8
215.10667	0.8
215.14345	2.4
219.11710	0.8
219.13777	1.0
221.09639	1.3
221.13297	1.2
222.10797	0.9
223.11191	2.1
223.14806	2.2
224.09160	14.1
224.12785	1.8
225.09238	0.7
225.12772	2.3
227.10828	1.2
227.14293	16.9
229.15897	1.0
231.13820	1.6
232.12621	0.8
235.11320	1.4
236.11984	1.7
237.12740	5.4
237.16422	3.5
239.10764	0.9
239.14342	2.4
240.11955	0.7
241.12221	2.9
243.13890	0.8
244.13309	0.8
245.15320	5.1
247.14806	4.0
249.16454	1.3
250.13597	2.7
251.14302	2.1
253.12230	1.2
255.13838	4.5
255.17387	2.2
260.12433	1.1
263.16425	2.5
264.11438	0.9
265.15857	14.9
267.13940	1.3
267.17398	1.3
272.12683	0.7
275.14194	3.3
278.13528	0.9
283.16876	5.1
287.03748	0.7
290.13788	1.0
293.15320	14.4
294.15042	1.3
294.18488	0.7
296.16446	1.3
301.18033	1.7
308.16550	0.8
311.16443	7.2
312.19647	1.6
316.15765	0.7
322.17999	1.1
324.15878	0.6
326.17554	2.3
328.15372	0.8
329.17459	1.8
330.20694	0.9
340.19031	4.9
342.16916	0.8
342.20667	0.8
344.18604	1.5
350.21161	5.2
358.20175	3.2
360.19650	1.2
368.22217	10.1
378.20624	12.9
386.23331	2.6
396.21652	31.2
397.21765	1.7
414.22723	100.0
415.22961	4.7
432.23788	12.0
433.23849	0.7
456.23584	1.6
474.24841	27.7
475.25089	1.8
492.19586	1.1
492.25745	5.4
492.32227	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	492.2593
Annotation	Majusine C
Peak:m/z	Relative Intensity
55.01112	0.8
55.01869	2.3
55.05502	1.7
57.03432	1.7
58.69806	0.9
58.74596	0.9
60.70113	0.8
67.05505	4.5
68.05029	7.2
69.03416	9.3
69.07075	1.2
70.06586	6.3
70.55544	1.8
71.04986	2.1
72.08141	1.7
79.05487	2.1
81.03409	1.1
81.07040	3.3
82.06561	1.1
83.04958	3.6
84.04536	1.2
86.06061	30.9
87.04460	28.9
91.05481	2.7
93.07029	3.7
94.06576	1.4
95.04959	3.5
95.08602	2.9
96.04486	90.1
96.08165	1.1
97.02924	1.3
97.06528	2.3
98.06050	25.7
99.04430	1.5
105.07024	5.9
107.08590	4.4
107.57564	0.9
108.08105	5.3
109.06532	2.3
109.10115	2.5
110.06024	3.8
111.04434	1.7
117.07022	3.8
119.08583	5.3
120.08942	1.0
121.02852	1.4
121.06515	3.9
121.10155	3.2
122.06037	4.0
122.09673	1.0
123.08045	3.4
123.11686	1.6
124.07548	1.9
125.09588	1.4
129.07001	1.4
131.08553	6.5
132.08014	1.1
133.06392	0.9
133.10106	4.2
134.06033	1.4
135.08040	3.6
136.07567	12.5
137.09587	2.3
138.09172	1.4
142.07756	1.0
143.08545	3.7
145.06479	1.4
145.10092	2.7
147.08047	1.7
147.11659	2.3
149.09616	2.6
150.09142	12.7
151.07536	1.1
151.11214	1.3
153.26353	1.0
154.08662	2.1
156.09351	2.3
157.10059	1.8
159.08046	5.9
159.11687	1.7
161.09615	4.0
163.07521	1.3
164.07053	24.9
165.07086	1.1
169.10138	1.9
171.08054	1.4
171.11697	2.9
173.09595	2.3
173.13295	2.5
175.11186	1.1
177.09142	5.4
178.08618	24.6
179.10773	1.0
180.10190	1.6
181.04941	4.7
181.10065	1.9
182.08122	100.0
183.08385	1.3
183.11740	1.8
185.09619	3.0
185.13245	2.0
187.07541	3.1
187.11104	2.3
189.09061	1.1
189.12715	2.7
191.14301	2.3
194.11063	1.1
195.11659	1.5
196.09698	6.9
197.09520	1.9
197.13194	2.0
199.11194	4.8
201.12798	2.2
203.14398	1.1
206.08144	10.8
209.09621	1.1
209.13348	1.2
213.12715	3.1
217.12195	2.4
222.14066	1.3
223.11145	1.8
223.14809	1.6
224.09106	5.5
227.10718	1.7
227.14305	1.9
231.13733	1.2
237.16423	1.6
239.14406	1.2
241.15964	2.0
244.13335	2.2
245.11479	1.5
245.15355	6.3
255.17386	2.2
262.14407	1.4
263.16443	1.8
265.15872	3.3
269.15417	1.0
272.12927	1.2
273.18439	1.0
283.16855	9.1
290.13809	3.8
293.15356	2.0
301.17938	5.0
308.14969	1.5
311.16357	3.9
329.17419	2.4
350.20996	2.0
368.22086	3.5
369.14539	2.5
371.15781	1.7
386.23102	3.7
396.21707	8.8
414.22723	50.4
415.23105	1.4
428.24185	1.0
432.23779	63.7
433.24133	2.3
474.25040	7.5
492.19751	2.4
492.25882	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	492.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71431	0.4
53.03930	0.8
53.35184	0.5
55.05511	14.4
55.05776	0.7
57.03435	7.6
57.07061	2.2
62.06114	0.5
65.03946	0.6
67.05500	21.6
69.07065	17.2
71.05014	0.7
79.05489	6.8
81.07050	24.4
83.04983	1.1
83.08613	7.4
85.06573	0.5
85.56599	0.5
91.05488	3.9
92.21459	0.4
93.07044	6.1
95.08601	19.1
97.06513	1.3
97.10166	3.6
98.06038	0.6
98.98447	0.8
99.08087	0.6
103.24389	0.5
105.07037	3.7
107.08567	3.5
109.06521	0.5
109.10157	6.9
111.11707	0.9
113.17354	0.4
119.08590	2.8
121.10143	2.7
123.11689	2.3
124.01592	0.7
124.93754	0.9
133.10109	2.0
135.11685	1.3
137.13257	1.1
139.52914	0.5
147.11670	2.1
151.14787	0.7
156.05124	0.5
156.96327	1.1
161.13277	0.9
163.14914	0.5
169.02731	0.6
175.14749	0.7
177.16425	0.5
197.71243	0.5
216.06305	0.7
277.25284	1.0
284.28894	0.4
320.29388	2.7
335.25687	2.3
351.28909	100.0
352.29236	3.5
492.21838	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	492.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17299	1.1
50.74337	1.1
55.05293	1.5
55.05510	15.3
57.03424	6.0
57.07064	3.9
61.52105	1.2
62.06086	28.4
62.74769	1.3
62.98262	2.5
65.03929	1.7
67.05500	33.5
69.07061	20.0
71.21504	1.6
79.05486	11.8
80.50644	1.1
81.07049	34.2
81.39120	1.3
83.04987	1.9
83.08609	7.5
91.05476	5.3
93.07049	11.2
95.04964	1.4
95.08598	28.6
97.06522	2.4
97.10162	4.4
98.06056	3.9
98.09698	1.7
98.98460	14.6
105.07021	4.0
107.08575	5.8
109.10146	9.0
111.11732	1.3
112.44179	1.3
113.00040	6.5
119.08588	3.6
121.10171	4.2
123.11662	4.6
124.01592	1.8
124.93770	7.9
133.10129	1.5
135.11697	2.7
137.13228	2.5
142.02679	2.4
147.11697	2.9
155.01035	9.1
156.96359	6.9
163.14754	2.5
169.02611	3.3
173.02045	2.3
196.80136	1.4
198.05251	1.7
211.66287	1.4
216.06381	3.7
259.24200	2.1
261.22150	1.9
277.25308	4.6
320.29446	19.2
335.25714	9.2
351.28900	100.0
352.29166	4.7
460.18961	4.0
474.29486	2.7
492.21591	19.1
492.29285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.03411	0.6
58.06596	4.6
64.63134	0.5
67.05499	1.0
69.07053	1.0
69.25539	3.0
79.05475	0.8
81.07055	0.6
82.06568	2.8
83.06895	1.1
83.07353	11.7
83.90727	0.5
88.07625	2.0
97.06486	0.7
98.09686	81.8
99.10013	1.2
116.10725	100.0
117.11069	0.8
167.37537	0.5
175.17036	0.6
196.07326	50.6
297.24106	1.1
474.29739	5.2
492.30786	15.5
493.31003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
54.74129	4.1
55.01868	12.0
55.05517	27.9
55.15778	4.6
56.05030	5.1
57.03428	13.9
57.07071	10.7
59.05023	5.7
61.02910	5.2
65.03945	6.1
65.72331	4.6
66.95804	4.3
67.05507	100.0
69.03434	18.6
69.07072	25.0
71.04987	7.0
71.08617	7.4
71.42477	4.9
73.02913	7.0
79.05490	43.9
81.03424	15.7
81.07053	81.9
83.04993	12.2
83.08624	19.4
85.02902	38.2
87.33218	4.0
91.05464	29.5
93.07030	44.3
95.04987	14.3
95.08601	36.4
97.02910	20.2
97.06501	7.7
97.10172	12.1
99.08085	6.1
105.07035	19.5
107.08562	22.9
109.02880	5.3
109.06509	5.1
109.10161	55.2
111.08084	5.6
117.07035	6.6
119.08614	22.7
121.10139	16.3
123.11695	10.1
125.09623	15.5
127.03901	9.5
129.07068	4.1
131.08589	6.0
133.10178	11.8
135.11694	15.5
137.09590	11.9
139.11195	20.7
141.12733	5.3
145.04958	4.8
145.10118	7.6
147.11646	8.0
147.51578	4.2
149.13310	7.0
155.10721	21.6
161.13293	7.5
165.09103	6.0
165.12782	7.0
173.11739	98.8
175.14793	6.4
180.08809	5.3
189.11230	15.0
193.12257	6.2
203.10893	4.5
211.13377	10.5
241.19476	7.1
246.56430	4.3
254.89069	4.7
259.20605	8.6
277.21613	70.1
285.16678	4.9
295.22635	34.5
331.18842	5.5
364.50879	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	493.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.1
51.02370	0.2
52.03173	0.3
52.60513	0.1
53.03938	0.2
55.01867	0.9
57.03425	0.2
61.02924	0.1
65.03938	2.6
67.05499	2.2
68.31866	0.1
68.99779	0.1
69.03429	0.6
71.01363	0.1
71.05003	0.1
73.02914	0.2
77.03905	0.5
79.05474	0.1
80.02626	0.4
81.03411	0.4
81.07058	0.2
83.04970	0.1
84.04504	0.5
84.08140	0.1
85.02902	0.6
86.09686	0.1
87.00819	0.2
88.03984	0.3
89.03915	0.1
91.05472	0.2
93.03385	0.2
93.07042	0.1
95.01293	0.2
95.04961	2.0
95.08624	0.1
97.02891	0.3
98.03706	0.1
99.04462	0.3
105.00076	0.1
105.01864	0.2
105.04520	0.5
105.07008	0.3
107.08578	0.2
108.02091	3.2
109.02863	0.6
109.10127	0.1
111.04443	1.2
114.03733	0.1
117.03370	0.3
117.07019	0.2
119.08552	0.2
121.03148	0.1
121.03968	0.4
121.06501	0.1
121.10129	0.2
122.02686	0.1
123.04438	0.4
125.06006	0.1
127.03928	0.5
129.06752	0.1
130.04987	0.2
131.08604	0.1
133.06476	0.4
133.10110	0.3
135.04396	0.1
135.08080	0.2
135.11726	0.1
136.01520	0.5
137.05968	0.1
141.05458	2.9
143.08546	0.2
145.02841	0.5
145.05377	0.1
145.06467	0.4
145.10004	0.1
147.11742	0.1
151.03900	100.0
151.04979	10.5
152.04230	1.6
152.05321	0.2
156.04761	0.1
156.09399	0.1
158.07268	0.1
159.08006	0.4
160.08832	0.1
161.05980	1.7
163.03905	0.6
165.07074	0.1
165.12767	0.1
169.04941	0.2
169.06372	0.1
171.07912	0.1
173.05959	0.1
173.13321	0.1
175.07480	0.5
177.05457	0.7
181.04967	0.1
182.07327	0.1
183.08011	0.1
184.08826	0.2
185.09579	0.1
187.07504	0.5
188.08281	0.4
191.14311	0.2
192.14655	0.1
197.09627	0.3
199.07336	0.1
199.11171	1.2
201.09027	0.2
203.05246	0.4
209.09706	0.1
209.15340	0.4
210.15767	0.2
212.08345	0.4
215.10631	0.4
224.73679	0.1
225.09103	1.1
226.09816	0.1
227.10664	0.9
227.16418	0.5
228.16806	0.2
229.12120	0.1
243.10196	1.0
244.10703	0.1
245.11714	3.8
249.05313	0.2
297.05704	0.1
325.05453	0.4
343.06506	0.2
364.11957	0.2
420.79974	0.1
449.17776	0.3
475.15912	0.1
493.09882	0.2
493.16745	1.3
493.23413	0.1
494.17230	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	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01865	0.3
55.05498	0.7
57.03422	0.3
58.64276	0.1
61.02920	0.2
65.03593	0.3
65.03937	4.9
67.05502	2.6
69.03434	1.1
69.07043	0.3
70.06571	0.5
71.04981	0.3
71.17408	0.1
71.43632	0.2
72.08154	1.3
77.03932	0.2
79.05485	0.6
81.03412	0.4
81.07043	1.8
82.04193	2.0
83.04969	0.4
83.08603	0.3
84.08141	0.9
85.02901	3.5
85.06532	0.4
86.09702	0.5
91.05474	0.3
93.03416	0.9
93.07037	0.4
95.04966	1.4
95.08599	0.6
97.02891	0.9
97.06526	1.6
97.10109	0.2
99.04469	0.3
101.02453	0.2
105.04495	0.2
105.07012	0.5
106.16431	0.2
107.08582	0.8
108.02087	0.8
108.04477	0.2
109.02854	0.3
109.06509	0.2
109.10133	0.4
110.03657	2.2
111.04452	1.1
119.08589	0.2
120.08098	1.9
121.10163	0.2
122.76407	0.2
123.00777	0.6
123.08060	0.2
123.11702	1.5
125.05988	1.4
127.03895	0.5
130.05019	0.2
131.08586	0.2
133.10103	1.0
134.10448	0.4
136.07573	0.6
137.02357	0.2
138.03113	1.5
139.03853	0.3
140.04715	0.8
142.02612	0.7
145.10114	0.3
151.07504	0.3
151.11139	0.3
153.05464	2.8
163.03856	0.3
169.12213	0.8
171.05055	0.3
171.06519	5.2
173.13022	0.2
179.79074	0.2
181.04944	100.0
182.05290	2.2
187.13277	0.6
191.14301	0.6
192.14578	0.4
198.14090	0.3
199.05943	0.3
210.15587	0.3
219.14865	0.5
243.04875	0.2
247.12550	0.3
247.14668	0.2
277.06964	0.2
287.03717	0.2
294.14575	0.2
331.17392	1.0
449.17838	0.9
475.27612	0.3
492.34561	0.2
493.17303	3.6
493.33347	0.3
494.16882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01867	0.2
55.05499	0.7
56.05027	1.0
58.57689	0.2
58.99584	0.9
65.15247	0.3
67.05505	0.3
68.05019	0.7
69.03462	0.4
69.17302	1.6
70.06564	0.4
76.02225	0.6
79.05490	0.9
81.12756	0.3
83.04971	1.1
84.04504	12.2
85.02897	0.3
88.02212	3.4
88.03998	0.8
91.05478	1.5
95.04959	2.5
102.05486	0.4
103.05458	0.4
105.00092	0.4
105.07028	7.7
105.07736	0.4
107.04951	0.8
108.04475	0.3
109.02869	3.9
111.04448	5.0
114.05515	0.8
115.05447	3.8
117.07021	5.0
119.81520	0.3
121.06491	1.6
122.02722	2.9
123.04405	0.8
129.06967	0.5
130.04996	2.7
130.66551	0.3
131.08556	0.5
133.06487	16.2
134.02708	1.5
135.04404	1.0
135.08060	0.3
137.04187	2.0
141.07001	0.8
142.03221	0.6
143.08510	0.3
145.06474	0.9
145.10078	0.5
147.04411	1.8
151.02806	0.2
151.03836	1.2
153.06989	0.4
154.07741	1.6
155.08586	0.3
158.07259	0.7
159.08067	1.0
159.11678	0.5
161.05972	51.9
162.06299	0.9
163.07466	0.3
165.03709	4.6
167.08554	0.4
168.05734	0.5
169.10098	2.5
171.07669	0.6
172.08803	1.1
173.09595	1.1
175.07521	0.4
178.07799	0.7
179.08553	1.8
181.06464	1.5
182.07269	11.7
183.08000	1.4
187.07600	0.3
187.11171	1.5
188.03656	0.6
195.08023	0.3
197.09612	17.7
198.10004	0.4
201.09113	1.1
203.05246	1.5
209.15460	0.3
211.23059	0.2
215.10663	3.9
225.09091	100.0
226.09435	2.8
227.10623	0.7
228.07841	1.1
233.05864	0.6
234.04301	0.8
243.10155	55.1
244.10495	2.0
245.11736	5.0
245.17485	0.3
251.06972	2.9
273.09521	0.3
275.07364	3.1
283.07364	0.3
296.14664	0.3
306.34549	0.3
364.12225	0.7
448.65829	0.3
475.15140	0.5
492.28543	0.3
493.16568	1.5
493.23483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
57.03432	3.2
65.03923	5.7
67.05491	3.3
69.03423	13.2
71.05015	2.4
81.03414	6.9
83.04961	7.4
84.04494	3.6
85.02901	12.0
87.00822	5.8
88.03994	4.0
89.03905	4.1
91.05467	5.5
97.02870	9.3
99.04457	4.9
105.01883	4.4
105.06986	3.8
107.04890	2.7
108.02070	2.9
109.02833	5.8
109.06509	6.4
115.05469	3.2
117.03371	14.6
123.08038	3.3
127.03902	8.2
130.87460	2.6
133.10190	3.3
135.04382	3.3
135.08026	6.1
141.06996	3.2
145.02826	29.6
145.06416	4.1
147.07986	3.4
149.06017	6.2
151.03908	89.8
151.05013	11.7
159.08020	11.1
160.08833	5.2
161.05962	12.3
163.03906	3.2
173.05965	2.4
175.07565	14.7
177.05466	64.1
184.08836	3.2
187.07570	7.1
188.08276	7.9
199.11127	16.5
201.63390	2.8
209.15387	7.5
210.15958	5.7
212.08321	7.0
215.10738	3.2
225.09122	4.8
227.10651	17.3
227.16473	3.6
228.16843	4.7
229.12225	4.8
237.14732	2.5
243.10094	15.2
245.11739	100.0
246.12201	2.9
271.47266	2.6
277.09000	3.8
396.69302	3.0
449.17804	5.4
449.30917	10.2
475.15988	2.8
493.16757	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	493.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42197	0.1
62.25989	0.1
64.95934	0.1
69.03394	0.4
75.25694	0.1
78.09010	0.1
81.03393	0.2
83.04977	0.9
85.02872	0.4
91.05438	0.2
93.07037	0.2
94.28100	0.1
97.02823	0.2
105.06961	0.2
109.02838	0.2
121.06483	0.3
123.04363	0.2
127.03880	0.3
130.93275	0.1
131.08626	0.1
133.06421	0.2
135.08080	0.2
137.05928	0.3
141.06772	0.2
143.08560	0.2
144.05684	0.2
145.06485	0.2
147.08031	0.2
151.03914	1.1
159.08003	0.3
161.05949	0.6
175.07536	1.1
175.11113	0.2
177.05478	0.2
187.07503	0.3
188.08296	0.3
191.07051	0.2
199.11179	0.2
202.09813	0.5
203.06929	0.2
203.10643	0.2
204.07828	0.4
205.08606	0.9
215.06990	2.7
217.08565	0.2
227.10619	0.4
229.08467	0.4
230.09258	0.4
235.12321	0.2
245.11690	100.0
246.12030	3.0
287.12677	0.5
407.16943	0.4
417.66510	0.2
449.17960	6.4
450.18237	0.3
493.16946	17.2
494.17334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.1
55.05481	0.3
61.02897	0.1
65.03917	0.2
67.05486	0.2
69.03386	0.4
69.95385	0.3
69.95717	0.1
72.40838	0.1
79.05446	0.2
81.03393	0.2
83.04973	1.0
85.02870	0.5
91.05475	0.2
93.07025	0.2
95.04922	0.2
105.06995	0.2
109.02831	0.2
121.02848	0.3
121.06471	0.3
123.04370	0.2
127.03869	0.2
131.08517	0.2
133.06496	0.2
133.10117	0.1
135.07945	0.1
137.05966	0.2
138.92923	0.1
144.05669	0.3
145.06465	0.3
147.07967	0.2
149.05942	0.2
151.03918	2.5
151.05040	0.2
159.08005	0.2
160.66789	0.1
161.05971	0.7
161.09554	0.1
162.06685	0.2
163.03932	0.2
163.07552	0.1
171.08090	0.2
174.10258	0.1
175.07524	1.0
176.08365	0.3
177.05450	0.5
181.04933	0.3
187.07608	0.3
188.08301	0.3
189.05490	0.6
191.07030	0.2
199.11217	0.2
201.09015	0.2
202.09865	0.4
203.07076	0.4
203.10649	0.3
204.07773	0.4
205.08681	0.8
212.08266	0.6
213.08992	0.2
215.07036	2.9
225.09062	0.5
227.10629	0.4
227.44298	0.1
229.08640	0.2
230.09380	0.3
243.10185	0.3
245.11722	100.0
246.12064	3.4
287.12943	0.2
407.17151	0.2
449.18060	5.6
450.18314	0.3
492.30267	2.0
493.17056	15.5
493.29453	3.9
494.17465	0.8
511.57739	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	493.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01865	1.4
55.05511	0.6
57.03421	0.7
59.81718	0.4
63.02359	0.6
64.32569	0.6
65.03942	2.7
65.04234	0.5
67.05506	2.6
69.03422	3.5
71.04977	1.0
71.42101	0.5
73.02902	0.7
74.62894	0.5
77.03926	0.7
79.05477	0.8
81.03413	2.3
81.07049	1.1
83.04975	1.0
84.04495	2.0
85.02906	3.1
87.00797	0.6
88.04009	0.6
89.03926	2.9
90.21221	0.6
91.05463	1.8
93.07033	0.9
95.04974	3.4
97.02888	2.1
99.04449	1.4
105.04507	1.0
105.07027	1.4
107.08588	1.5
108.02074	3.8
108.08945	0.6
109.02869	2.0
111.04436	1.4
112.07658	0.5
114.03733	0.6
115.05438	1.2
117.03377	5.5
117.07031	1.2
119.04910	0.5
119.08560	1.5
120.47477	0.6
121.06483	1.2
121.10125	1.1
122.02706	0.7
122.10452	0.5
123.04420	0.9
127.03936	1.2
128.77208	0.5
129.07005	0.7
131.08562	0.9
133.06496	1.4
133.10143	0.6
135.04404	3.0
136.01538	0.9
137.06029	0.5
141.05446	3.0
143.08569	1.1
144.05702	0.6
145.02840	11.6
145.03951	0.9
145.06448	2.5
145.10226	0.5
149.06003	1.5
149.13229	0.8
149.47913	0.5
150.13498	0.6
151.03906	100.0
151.05014	10.8
152.04245	2.0
156.09297	0.7
158.07304	0.6
159.08017	2.1
161.05994	7.5
163.03903	12.0
165.12816	0.9
166.07747	0.7
171.08066	0.9
171.11699	0.6
172.08557	0.5
173.09570	0.6
175.07564	2.5
177.05460	17.8
179.06978	0.6
181.05022	0.5
182.07297	1.6
183.08012	1.1
184.08842	1.1
187.07576	3.1
188.08293	2.1
197.09604	1.4
199.11195	7.6
201.09093	0.8
209.15372	0.9
210.15729	1.2
211.07658	0.5
212.08339	1.2
213.09108	0.7
215.10699	2.2
225.09116	7.2
227.10622	4.1
227.16426	1.0
228.16727	0.8
229.12231	0.6
243.10141	6.5
244.10614	0.7
245.11725	16.4
299.98621	0.6
325.09076	0.5
339.10779	0.8
343.06549	0.6
364.12231	0.7
389.16083	0.5
421.82413	0.7
431.16956	1.2
449.17892	0.9
475.15866	1.6
482.63657	0.6
493.16974	6.7
493.33539	0.5
494.17450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.05487	0.5
69.03403	0.6
69.07073	0.2
69.28673	0.6
79.05466	0.2
81.03396	0.3
83.04977	1.8
85.02863	0.6
87.00771	0.2
91.05461	0.6
93.06998	0.4
95.04940	0.2
97.02866	0.4
99.04463	0.2
109.02857	0.3
115.05407	0.2
121.02853	0.4
121.06485	0.5
123.04405	0.3
127.03911	0.4
129.06976	0.2
131.08539	0.3
133.06451	0.2
135.08032	0.2
137.05978	0.3
141.06996	0.3
144.05692	0.2
145.04965	0.2
145.06476	0.3
147.08025	0.4
149.05992	0.2
151.03925	1.9
151.05066	0.3
159.08034	0.3
160.08806	0.2
161.05957	1.2
169.46815	0.2
171.07964	0.1
173.09544	0.2
175.07529	1.6
175.11127	0.2
176.08308	0.3
177.05450	0.5
181.04962	0.2
183.07707	0.2
184.08795	0.2
187.05983	0.2
187.07552	0.4
188.08286	0.6
189.05415	0.3
191.07062	0.3
197.09645	0.1
201.08987	0.2
202.09871	0.7
203.07010	0.5
203.10518	0.3
204.07755	0.5
205.08560	1.4
211.07658	0.2
212.08397	0.7
213.09006	0.2
215.07019	5.7
216.07220	0.2
216.11049	0.1
217.08559	0.2
225.09076	0.5
227.10675	0.4
229.08592	0.7
230.09349	0.3
243.10223	0.8
244.10538	0.3
245.11711	100.0
246.12068	3.5
268.57693	0.1
271.09592	0.2
343.35156	0.2
407.17035	0.3
449.18060	5.6
450.18527	0.4
493.16965	10.5
494.17691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01860	6.3
55.38056	1.7
57.03424	5.2
61.02920	4.2
65.84132	1.5
67.05493	3.3
69.03067	1.9
69.03427	23.2
71.04996	3.3
73.02908	3.5
79.05494	3.0
81.03415	17.4
81.06990	1.8
82.36257	1.5
83.05008	3.8
85.02901	27.4
87.00804	9.2
91.05458	4.5
93.07028	3.6
95.04963	7.4
97.02882	14.2
98.23483	5.9
99.04447	6.9
105.01855	4.1
105.06990	4.1
109.02869	19.3
109.06510	2.7
115.03889	1.8
115.05451	2.9
117.07008	2.6
118.81982	1.6
120.36308	1.5
121.06501	6.4
123.04425	5.2
127.03904	17.7
128.06219	2.4
129.07001	3.2
135.04407	8.3
135.08057	9.9
137.05977	2.4
141.06993	3.6
142.07758	3.1
143.08527	6.7
145.05011	2.5
145.05211	2.8
145.06465	21.5
147.08075	2.3
151.03880	3.8
153.06960	3.0
155.08531	2.8
156.09311	5.3
157.10062	2.9
158.07249	4.7
159.02873	5.5
159.08076	12.9
161.06012	3.5
163.07570	2.0
165.06996	8.0
166.07806	15.5
167.08540	1.8
169.06494	4.1
171.07999	6.0
171.11684	6.2
173.09608	1.8
175.07544	10.7
181.10101	2.5
182.07281	3.9
183.08043	6.5
184.08879	11.7
185.05965	2.4
185.09601	8.7
187.03778	1.5
187.06003	2.0
187.07573	5.2
188.08292	5.7
197.05959	1.8
197.09584	7.9
199.07570	6.5
199.11153	36.8
207.10036	1.6
209.09706	8.5
211.07573	3.3
212.08289	22.9
213.08931	4.4
225.09100	22.2
226.09807	2.1
227.10649	100.0
228.10950	3.3
239.10619	3.5
243.10127	2.0
245.11694	83.2
246.12106	2.8
251.10791	2.3
269.11703	2.0
287.12741	3.4
371.14505	1.9
407.16873	2.0
431.16830	4.7
449.17880	11.4
475.15833	3.3
493.16656	26.4
493.24042	13.1
494.16989	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	493.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40491	0.6
55.05509	1.5
55.05798	0.4
56.96565	1.1
58.53592	0.5
60.56550	0.6
67.05495	2.1
69.03408	0.8
69.07068	0.9
71.43114	0.6
78.24944	0.5
79.05486	2.1
81.03406	1.4
81.07060	2.9
83.08607	0.8
85.02915	0.7
91.05473	1.7
93.07056	2.4
95.04970	1.2
95.08582	1.0
97.06492	0.7
105.07023	1.5
107.08586	1.5
109.10146	0.8
119.03430	0.9
119.08559	0.5
124.76649	0.5
127.03937	0.6
131.08559	0.8
133.10124	2.1
135.11732	0.6
145.10103	0.9
147.11700	0.7
163.03891	0.9
163.11157	0.7
163.68896	0.5
193.12177	0.6
197.11812	0.9
227.10777	0.9
241.07457	1.0
245.07794	3.9
271.04309	0.6
301.05280	4.4
303.06833	12.4
341.21060	0.8
347.11569	1.1
357.13766	0.8
359.21890	0.6
389.17407	0.6
407.17560	0.6
407.45102	0.6
415.23117	0.9
433.15210	1.5
451.16525	4.0
475.23215	1.3
493.20398	100.0
494.20764	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	493.2198
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.82256	1.4
56.96572	2.6
70.40420	2.8
71.63366	1.4
71.69925	1.5
79.05503	1.6
81.07045	3.3
91.05452	2.2
93.07034	1.6
95.08574	1.9
98.97587	2.4
115.90517	1.6
119.08611	2.6
124.19111	1.5
164.88557	1.7
292.00311	1.7
317.62518	1.6
331.16592	24.3
349.16901	5.2
391.16702	2.7
428.12280	1.7
493.21957	100.0
494.22031	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	493.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01855	0.9
55.05500	1.4
56.05035	3.3
57.03432	1.5
65.03936	4.6
67.04238	0.4
67.05502	2.6
69.03423	0.9
69.07072	0.4
70.06576	0.6
71.43781	0.3
72.08145	0.7
74.75516	0.3
79.05490	0.6
81.03416	0.4
81.07051	0.8
82.04205	2.3
82.06576	5.4
83.05002	0.4
83.07340	0.4
84.04488	0.5
84.08138	72.6
85.02905	2.9
85.08460	0.8
86.09690	0.6
91.05463	1.1
93.03390	1.1
93.07036	0.7
95.04954	1.6
95.08593	0.4
96.04488	0.8
96.08125	0.4
97.02881	1.0
97.06529	1.7
98.23383	0.3
99.55017	0.3
105.07024	1.5
107.08572	0.8
108.02095	1.2
108.04472	0.6
109.06512	0.4
109.10220	0.3
110.03652	2.7
110.06042	2.1
110.93749	0.3
111.04431	0.8
111.08063	0.4
119.04943	0.3
119.08560	1.4
120.08087	1.1
121.06451	0.4
121.10144	0.6
123.08073	0.9
125.06008	1.6
125.09579	0.4
128.07083	0.9
129.07014	0.6
130.08609	0.9
131.08546	1.0
132.08035	0.4
133.06473	0.4
133.10153	1.5
134.09641	1.8
135.08052	0.8
135.11676	0.5
136.07553	0.8
137.09636	1.1
137.10661	0.3
138.03127	1.5
138.05463	0.8
138.09123	0.6
140.04671	0.8
141.06973	0.3
142.02556	0.6
143.08542	0.8
144.08104	0.3
145.10138	0.9
147.04402	0.3
147.08043	1.2
147.11685	1.6
149.09622	0.6
150.09126	0.8
153.05450	3.1
156.09346	0.7
157.10101	0.9
159.08017	0.6
159.11728	1.5
161.09566	1.2
161.10767	3.4
161.13272	1.1
162.09138	2.2
163.03891	0.6
164.07144	0.3
165.10188	0.3
168.06551	0.3
169.10088	0.7
170.10855	0.4
171.06538	5.6
171.07971	0.6
171.11684	2.0
173.09654	1.0
175.11153	1.8
176.10712	1.1
177.12766	0.8
179.11806	2.4
181.04942	100.0
182.05278	3.8
183.11674	0.5
184.12488	0.3
185.09651	0.4
185.13284	1.1
187.11205	1.0
189.12720	2.2
191.14299	0.4
194.11951	0.4
197.09552	0.5
199.11183	1.1
199.14835	0.9
203.10626	0.5
203.14322	0.6
204.10184	2.5
209.13197	0.5
210.10406	0.3
212.11957	0.7
213.12686	1.1
214.13568	1.2
215.14360	0.6
221.12910	1.6
222.11252	0.9
225.12334	5.2
227.14287	4.0
231.13795	0.3
239.14024	1.2
245.11760	3.5
245.15320	2.7
263.16455	2.3
272.16351	0.3
305.18640	0.6
310.17920	0.7
328.18942	1.0
353.64618	0.3
376.22690	0.4
393.25174	1.1
394.23630	1.0
411.26410	3.8
412.25018	0.5
413.28165	0.3
429.27432	4.1
430.27963	0.4
439.25797	2.1
449.17590	0.4
457.26932	19.1
458.26871	1.1
475.27994	48.1
476.28378	2.8
493.17145	1.4
493.29434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02481	0.5
53.03928	1.1
54.03005	0.6
55.01858	1.0
55.05497	1.3
57.03436	0.7
65.03921	2.9
67.05491	2.1
69.03403	1.5
70.04518	2.0
70.06577	1.3
77.03931	0.7
78.76424	0.7
79.05492	9.4
81.03418	4.6
81.05784	1.5
81.07034	0.8
82.06573	1.0
83.01330	0.8
83.04957	0.8
85.02895	3.0
86.09711	0.8
89.03454	0.7
89.03930	4.6
91.05447	2.3
92.05000	8.0
93.07022	0.8
94.06559	1.4
95.04947	3.0
95.07275	0.7
96.08127	6.9
97.02883	0.6
97.06528	0.8
99.00789	1.9
99.04438	1.7
105.04484	1.0
105.07043	1.3
106.06551	44.6
107.04945	2.8
107.08593	12.9
108.08105	12.2
109.02853	2.0
109.05252	1.1
109.06564	0.8
117.03371	7.8
117.07008	0.6
122.06004	1.3
123.06811	5.4
124.07587	29.1
134.06012	26.9
134.07051	1.0
135.04410	16.2
135.08041	8.2
136.07552	3.5
137.08344	1.1
145.02844	13.7
146.99557	0.6
150.31079	0.6
151.83751	0.6
152.07060	78.0
153.07329	0.8
159.48438	0.6
163.03897	100.0
163.07539	13.5
164.04237	1.7
170.08118	57.8
171.08504	0.9
176.84929	0.7
181.04903	0.9
181.08627	0.9
250.08617	0.7
268.09662	4.2
278.08197	1.1
279.08649	5.1
296.09177	2.4
297.09683	21.9
298.10095	0.8
307.08203	3.2
314.12729	3.1
315.10822	1.3
316.79874	0.7
325.09097	2.4
332.13425	10.3
413.22141	0.7
476.15524	22.0
477.15625	1.0
494.16516	40.9
495.16910	1.2
510.07388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
55.01866	2.0
57.03431	0.8
61.02919	0.9
65.03943	1.7
67.05502	2.3
69.03431	3.6
71.01344	0.7
71.04992	1.3
71.23842	1.3
73.71438	0.7
79.05048	1.2
79.05489	18.6
80.94875	0.7
81.03407	1.7
81.07059	4.6
83.01338	6.2
83.04976	1.0
84.08135	1.3
85.02892	5.7
88.48764	0.8
91.05468	11.4
93.03371	0.9
93.07018	2.5
95.04972	1.7
95.08596	0.8
97.02884	2.2
97.06493	2.8
98.22869	0.8
99.00823	8.1
99.04458	4.9
105.07028	6.9
107.04929	3.6
107.08587	69.1
108.08950	1.6
109.06524	5.1
109.10144	3.2
111.08095	0.7
113.25679	0.8
115.05453	1.1
117.07010	4.3
119.06080	2.4
119.08575	0.8
119.16600	0.6
121.06524	1.1
121.10152	1.1
125.09645	2.5
126.47270	0.6
126.72910	0.7
127.03907	0.9
133.06526	0.8
133.10132	1.4
135.08041	42.0
153.09094	5.0
163.07532	65.1
164.07924	1.1
180.08690	0.9
181.08621	4.1
192.14609	0.8
209.15326	1.4
210.15759	0.8
211.15991	1.0
279.08594	25.7
280.08914	1.5
297.09662	100.0
298.09805	3.4
315.10660	7.4
336.51007	0.8
403.63150	0.7
458.27094	0.9
476.28323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
57.03423	4.6
61.02916	11.0
69.03418	15.6
70.06571	2.1
70.57843	1.3
71.04980	2.1
73.02914	4.0
81.03416	6.8
85.02898	100.0
85.31844	1.2
86.09696	35.1
87.04453	3.6
91.03945	4.3
92.18679	1.2
97.02880	30.0
99.04468	4.3
103.03960	1.6
103.68914	1.5
107.04942	31.2
107.52091	1.4
108.08125	1.5
109.02844	7.5
120.08091	2.0
127.03892	25.6
132.10190	24.5
145.04942	48.9
152.83731	1.4
153.05449	12.0
163.05971	12.3
173.05960	6.1
177.05450	3.0
180.08714	8.7
192.86299	1.3
219.06514	11.9
222.66946	1.4
233.07990	1.6
252.25571	1.5
261.07501	2.2
270.57559	1.5
279.08578	3.8
332.13354	6.3
350.69876	1.4
506.04794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05510	8.5
58.67953	1.9
58.79737	2.0
60.04530	2.6
61.02926	2.6
67.05503	10.2
69.03409	9.7
69.07077	12.8
71.04993	8.0
71.42398	1.7
79.05492	4.3
81.03409	9.3
81.07035	12.5
83.04973	3.8
83.08629	7.8
85.02895	23.1
85.06525	3.0
87.00823	8.5
91.05486	3.3
93.07044	12.4
95.04981	6.4
95.08599	29.7
96.04506	4.0
97.02891	9.6
97.06520	12.4
98.99977	2.2
99.04459	9.4
99.08117	4.0
105.01855	7.3
105.07028	8.3
106.00716	2.4
107.08595	18.0
109.02888	9.6
109.06501	11.7
109.10152	25.2
111.08106	2.2
115.05507	2.7
115.07599	6.5
119.08576	20.6
121.09359	2.4
121.10094	11.5
123.08038	10.7
123.11683	13.8
125.09629	2.1
127.03898	13.7
127.11163	2.7
133.10112	40.5
135.08023	3.7
135.11685	31.5
137.09610	6.5
145.04951	5.6
147.08049	3.8
147.11674	5.0
149.09557	3.0
149.13278	9.4
151.14780	2.6
153.12737	2.6
159.02876	3.3
159.08067	6.2
160.08301	2.6
161.05966	3.2
175.14815	50.4
176.08350	3.6
177.16321	5.8
193.15865	71.1
193.17526	4.3
201.12589	2.4
204.07764	5.7
205.08560	6.3
206.15439	4.5
211.16920	100.0
219.24165	2.4
227.10701	3.3
229.12260	14.1
245.11737	7.7
246.11987	2.3
247.13293	40.0
311.62399	2.0
317.82013	2.3
332.28000	3.6
365.72327	2.4
404.90921	2.3
423.20135	3.1
494.20035	9.9
495.18616	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	494.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05386	6.6
55.05515	52.4
57.03439	8.9
57.26647	6.8
67.05512	32.7
67.24532	7.4
69.07058	15.0
70.06601	13.6
71.42696	9.2
79.05492	34.2
81.00657	7.8
81.07055	38.7
83.04988	9.5
83.08617	21.4
91.05486	42.9
93.07043	28.8
95.04984	13.7
95.08603	18.3
97.10175	35.6
103.05497	14.5
105.07055	18.9
107.04960	11.7
107.08602	18.9
109.10190	9.2
117.07007	43.8
119.08592	16.2
125.09636	22.3
128.06122	8.6
129.07024	20.4
131.08572	24.0
133.10251	8.9
143.08534	11.2
149.02336	68.9
155.08508	10.9
168.77361	6.8
189.11305	15.7
193.04964	80.9
215.14340	41.0
227.12827	27.9
316.21185	7.5
328.31973	14.6
367.22247	12.7
385.23837	15.9
441.26468	38.5
459.27444	100.0
477.28241	11.9
494.34796	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05512	55.0
59.61071	3.3
67.05499	51.0
69.03413	4.1
69.07066	15.6
70.40697	3.5
72.87315	3.6
73.40903	3.6
79.05497	46.9
81.07056	31.4
83.04965	4.4
83.08614	32.2
84.04729	3.3
90.55448	3.0
91.05487	45.8
93.07052	22.2
95.04970	7.3
95.08614	11.0
97.10168	51.7
103.05466	31.0
104.76078	4.2
105.07025	34.1
107.08607	21.7
109.10149	6.8
115.05468	18.7
116.06276	4.2
117.07018	87.1
117.07811	7.3
119.08572	15.4
121.10174	6.9
124.06702	4.1
125.09621	52.8
128.06247	6.5
129.07005	27.1
131.08577	40.8
133.06546	9.7
133.10141	5.2
135.08041	13.9
141.06961	17.0
143.08549	12.2
145.06459	7.5
145.10101	10.2
149.09650	5.7
152.91786	3.4
153.09036	5.5
155.08586	20.9
157.10059	4.9
159.11670	5.1
167.08562	5.0
169.10164	10.5
171.10136	3.4
171.11668	9.1
187.14816	21.4
189.11212	25.6
197.13231	23.0
207.11723	3.4
215.14317	83.4
227.12770	82.4
241.12225	4.9
243.34076	3.5
271.16925	8.0
284.12552	3.4
300.23938	3.3
349.21539	14.0
367.22650	27.9
385.23642	13.3
403.25040	5.0
441.26315	100.0
442.26489	4.2
459.27338	74.7
460.27811	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81387	0.8
55.05512	12.1
57.03443	7.0
57.07071	2.9
57.73114	0.7
65.03946	0.9
67.05502	20.9
69.07067	17.1
69.43998	4.1
71.04961	0.7
73.70589	0.7
79.05495	6.7
79.55171	0.9
81.07054	26.5
83.08608	9.1
91.05487	4.5
93.07043	6.4
95.04919	1.2
95.08604	23.5
97.06544	1.6
97.10162	3.9
105.07043	4.2
106.52449	0.7
107.08604	4.1
109.10139	8.4
111.11676	0.9
113.00011	41.2
113.31648	0.8
119.08554	3.6
121.10117	4.0
123.11681	3.3
133.10199	2.1
135.11682	2.6
137.13216	1.6
137.96179	0.7
147.11659	1.9
149.13155	1.0
169.02603	15.9
169.03957	1.3
177.82758	0.8
187.03625	4.7
259.24188	1.0
277.25311	2.8
351.28928	100.0
352.29376	5.5
377.70923	0.8
392.94540	0.8
393.69980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
52.84707	0.3
54.12135	0.3
55.05511	2.0
56.05024	1.1
57.07072	1.3
58.06580	1.7
60.08162	18.4
64.45107	0.3
67.05491	1.0
69.07069	2.9
69.96475	0.5
69.96806	0.6
71.07372	7.5
71.08611	0.4
77.40121	0.3
79.05495	0.9
81.07056	1.2
83.04990	0.5
83.07356	0.7
83.08606	1.5
86.09705	52.1
93.07045	1.1
95.08590	0.9
97.06561	0.8
97.10193	0.6
98.09702	5.6
98.22779	0.4
98.91551	0.3
98.98462	4.4
104.10741	100.0
105.11068	1.2
107.08590	0.7
116.10734	6.4
121.10114	0.8
125.00000	27.2
135.11658	0.4
149.02357	0.3
159.75658	0.3
163.01543	0.6
173.85968	0.3
184.07335	98.0
185.07741	0.9
188.65385	0.3
193.05060	0.3
196.07350	3.4
210.77652	0.3
236.62523	0.3
258.11075	0.9
311.25797	2.0
476.31396	8.7
477.31754	0.5
494.32391	22.3
495.32614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.33725	0.5
55.05503	1.9
56.05016	1.1
56.96473	0.5
57.03446	0.5
57.07049	0.5
58.06605	1.2
58.13216	0.4
60.08162	17.1
67.05499	1.6
69.07072	2.3
70.06585	0.7
71.07381	6.2
71.08646	0.5
72.42377	0.4
77.92280	0.4
79.05494	1.1
81.07061	1.9
83.08627	1.4
86.09703	47.4
87.10013	0.7
93.07044	1.4
95.08607	1.4
98.98479	3.6
101.66484	0.5
104.10739	92.4
105.11074	0.7
107.08593	0.8
109.10154	0.5
110.53955	0.5
121.10120	0.5
121.19113	0.5
124.99999	27.0
146.89244	0.4
147.37167	0.5
149.02316	1.6
163.01553	0.7
176.46204	0.5
184.07335	100.0
185.07654	0.7
193.04936	1.4
229.45755	0.5
237.07491	0.8
258.10983	0.9
261.47067	0.5
311.25641	1.6
368.84451	0.4
476.31238	8.0
494.32349	22.6
495.32553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05501	2.2
56.05031	1.3
56.22808	0.6
57.03431	0.6
57.35324	0.5
58.06590	1.3
60.07871	1.0
60.08165	16.2
67.05495	2.0
69.07065	2.4
69.17536	2.7
71.07377	6.6
76.36030	0.5
76.49745	0.5
79.05458	1.2
81.07053	2.7
83.08617	2.0
86.09705	46.9
88.07642	0.6
90.06057	0.5
91.72636	0.5
93.07029	1.2
95.08594	1.6
97.10179	0.8
98.98466	3.4
104.10741	100.0
105.07026	0.7
105.11068	0.6
107.08525	1.0
121.10107	0.8
124.99998	26.1
126.00319	0.5
140.63704	0.5
149.02219	0.8
150.21106	0.4
184.07338	94.7
185.07661	0.6
193.04936	1.0
237.07607	0.7
258.10989	1.1
311.25769	1.1
476.31375	7.7
494.32367	22.7
495.32401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
57.07068	1.1
57.85779	0.5
58.06599	0.7
60.08160	6.5
67.91022	0.5
69.08134	2.1
69.08543	1.0
70.06585	1.8
71.07372	2.9
81.07062	0.8
84.93921	0.4
86.09700	31.0
88.07607	1.4
93.07009	0.6
96.81770	0.5
98.09661	1.2
98.98462	2.9
102.09166	0.8
104.10738	2.5
116.10733	0.9
124.99991	21.1
149.02336	5.2
153.54930	0.5
184.07326	100.0
185.07652	1.3
193.04956	4.0
204.03944	0.4
237.07542	4.5
240.34053	0.4
241.36264	0.5
284.29453	3.4
318.83945	0.5
427.37503	0.6
456.57056	0.5
476.31308	1.1
494.34872	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	495.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00299	1.2
53.03946	1.2
55.05511	10.7
55.42121	1.0
56.05034	2.8
56.80737	1.0
58.99582	1.9
64.91485	1.1
67.05501	3.4
69.03417	3.7
69.23125	1.0
69.23447	7.1
69.23754	1.0
76.02222	5.6
79.05488	2.4
81.03410	2.9
81.07061	2.4
83.04976	86.5
84.04499	15.5
84.08183	1.4
85.02892	3.6
85.06533	2.9
87.00837	1.6
91.05477	4.2
93.03973	1.1
95.04967	4.7
97.02895	2.5
99.04454	1.1
105.00053	1.4
105.07028	4.6
106.11666	1.1
107.04964	1.8
109.06487	2.4
112.07491	1.3
115.05454	2.1
117.07001	5.2
119.08525	2.7
121.06502	13.3
122.02731	16.6
124.15295	1.1
127.03879	2.0
128.06192	2.7
129.06990	1.7
130.05000	9.7
131.08548	1.8
133.06488	3.5
135.04391	4.0
135.08072	2.2
142.03195	7.9
142.07773	1.7
143.08595	6.0
145.06482	24.1
147.04396	1.8
147.08022	2.1
155.08536	2.1
156.09351	4.9
157.10138	1.7
158.07283	1.2
159.08046	5.1
159.11620	1.4
161.05956	11.0
163.07587	1.4
165.06953	1.4
166.07799	4.2
169.06468	1.5
171.07974	4.2
171.11652	7.3
173.06039	1.6
181.10179	2.4
182.07281	2.1
183.07912	1.5
184.08807	6.5
185.09584	5.4
187.05284	1.5
187.11195	3.3
188.03758	9.9
189.09128	5.9
197.09534	6.9
199.07494	1.4
199.11186	39.9
200.11366	1.4
201.08897	1.3
203.05286	1.3
204.07759	1.4
205.06500	1.6
205.08501	2.1
209.09566	3.9
212.08264	2.0
213.09009	2.0
215.10667	29.5
217.12193	2.3
227.08429	1.9
227.10658	36.7
228.11105	1.9
229.12251	2.4
231.04674	1.3
233.05922	10.7
234.04276	3.2
240.92456	1.1
245.11717	100.0
246.12132	7.6
247.09933	1.3
247.13321	14.9
249.05510	1.4
251.06960	21.5
290.15106	1.2
336.20862	1.2
377.11563	1.6
437.14798	2.3
451.19492	3.6
495.07169	2.5
495.18317	5.2
495.25607	32.7
496.26175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
58.99584	0.8
67.77193	0.9
69.03410	1.9
69.11614	5.2
79.05494	6.1
81.07043	1.9
84.04491	6.3
85.02882	1.2
88.02192	1.2
88.92130	0.7
90.86774	0.7
91.05460	5.2
93.03372	0.7
93.07018	2.4
93.30165	1.0
95.04952	2.0
97.02864	0.8
98.23491	1.6
103.78439	0.7
105.07010	3.2
107.08578	12.4
109.02868	13.1
109.06506	4.5
110.10466	0.8
111.04427	4.9
115.05482	1.5
117.07008	6.8
119.08561	1.4
121.06477	1.8
122.02723	4.7
130.04976	1.7
135.08040	31.1
135.11653	1.3
136.11917	0.9
137.05919	3.0
142.07831	0.9
143.08569	1.2
145.06436	1.1
149.04111	1.1
153.09030	0.8
156.09296	1.0
163.07529	100.0
164.07901	2.1
165.03671	1.4
165.06943	0.9
166.07684	1.4
171.08029	0.9
171.11690	2.7
181.10138	1.0
184.08807	1.6
185.06389	0.9
185.09589	1.0
193.15833	0.9
199.11201	4.2
209.09612	1.7
212.08240	1.0
220.29460	0.8
227.10635	38.8
228.11044	1.0
228.44820	0.8
245.11716	48.8
246.12117	1.8
247.85559	0.8
249.14493	1.0
251.06859	6.1
277.08887	3.2
284.09476	1.0
304.99078	0.8
348.12546	2.2
366.13574	3.3
389.34241	0.8
409.18500	1.7
451.19275	5.3
477.16888	1.7
495.18280	56.3
496.18478	3.2
517.71484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
58.99584	0.8
67.77193	0.9
69.03410	1.9
69.11614	5.2
79.05494	6.1
81.07043	1.9
84.04491	6.3
85.02882	1.2
88.02192	1.2
88.92130	0.7
90.86774	0.7
91.05460	5.2
93.03372	0.7
93.07018	2.4
93.30165	1.0
95.04952	2.0
97.02864	0.8
98.23491	1.6
103.78439	0.7
105.07010	3.2
107.08578	12.4
109.02868	13.1
109.06506	4.5
110.10466	0.8
111.04427	4.9
115.05482	1.5
117.07008	6.8
119.08561	1.4
121.06477	1.8
122.02723	4.7
130.04976	1.7
135.08040	31.1
135.11653	1.3
136.11917	0.9
137.05919	3.0
142.07831	0.9
143.08569	1.2
145.06436	1.1
149.04111	1.1
153.09030	0.8
156.09296	1.0
163.07529	100.0
164.07901	2.1
165.03671	1.4
165.06943	0.9
166.07684	1.4
171.08029	0.9
171.11690	2.7
181.10138	1.0
184.08807	1.6
185.06389	0.9
185.09589	1.0
193.15833	0.9
199.11201	4.2
209.09612	1.7
212.08240	1.0
220.29460	0.8
227.10635	38.8
228.11044	1.0
228.44820	0.8
245.11716	48.8
246.12117	1.8
247.85559	0.8
249.14493	1.0
251.06859	6.1
277.08887	3.2
284.09476	1.0
304.99078	0.8
348.12546	2.2
366.13574	3.3
389.34241	0.8
409.18500	1.7
451.19275	5.3
477.16888	1.7
495.18280	56.3
496.18478	3.2
517.71484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15432	0.5
53.77902	0.4
53.79727	0.4
57.63277	0.4
58.99585	0.9
69.03409	0.6
70.99750	0.4
71.89970	0.5
74.96049	0.5
79.05479	0.9
81.07043	0.7
84.04498	0.5
85.02888	0.8
86.99028	0.6
87.02689	7.2
91.05460	0.8
93.07066	0.5
95.08572	0.6
105.07003	0.6
107.08584	0.7
109.10150	0.5
116.01653	2.1
117.05772	0.9
121.10136	0.5
127.03892	0.5
132.08133	0.6
135.11635	0.6
144.01126	0.7
148.07507	0.5
157.75555	0.5
160.07588	5.3
161.08336	3.2
162.09151	1.6
163.03888	0.9
174.09111	1.0
176.08356	0.8
176.15172	0.6
179.14258	0.5
185.08359	1.8
186.09187	0.8
188.07132	0.8
188.10690	0.6
191.07207	0.4
193.15895	0.5
194.16173	0.5
200.14302	1.0
204.06416	2.7
205.07364	1.9
206.08113	1.6
214.08778	0.9
214.12271	6.9
216.06598	1.0
216.13832	15.8
218.08051	0.9
229.07440	0.7
230.08136	1.5
242.11885	1.4
243.04727	1.0
244.09790	1.0
244.13321	5.4
244.17041	0.5
246.14897	0.5
247.13242	6.8
248.11049	6.0
258.07755	0.9
258.11258	3.7
260.12811	15.5
261.13007	0.6
263.62692	0.5
276.10519	9.3
276.13757	0.8
278.12115	0.8
286.14441	1.2
287.03784	4.8
288.15936	0.6
292.09995	29.8
293.10477	1.1
302.11725	0.6
305.05096	0.5
306.11551	1.7
316.15363	0.9
318.11740	2.2
320.13235	0.9
334.16406	1.0
346.11044	1.0
348.12631	1.4
351.06314	0.6
359.52661	0.5
366.13522	1.1
375.13605	3.2
377.15256	0.8
380.90204	0.4
403.13034	0.9
405.14676	5.1
405.18628	0.5
406.15161	0.6
409.18433	0.5
421.14249	27.0
422.14590	1.7
433.18365	1.3
435.15909	1.8
447.15726	1.7
449.17365	1.0
451.19427	2.4
465.17297	1.0
477.17020	2.4
495.17984	100.0
496.18295	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	495.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15432	0.5
53.77902	0.4
53.79727	0.4
57.63277	0.4
58.99585	0.9
69.03409	0.6
70.99750	0.4
71.89970	0.5
74.96049	0.5
79.05479	0.9
81.07043	0.7
84.04498	0.5
85.02888	0.8
86.99028	0.6
87.02689	7.2
91.05460	0.8
93.07066	0.5
95.08572	0.6
105.07003	0.6
107.08584	0.7
109.10150	0.5
116.01653	2.1
117.05772	0.9
121.10136	0.5
127.03892	0.5
132.08133	0.6
135.11635	0.6
144.01126	0.7
148.07507	0.5
157.75555	0.5
160.07588	5.3
161.08336	3.2
162.09151	1.6
163.03888	0.9
174.09111	1.0
176.08356	0.8
176.15172	0.6
179.14258	0.5
185.08359	1.8
186.09187	0.8
188.07132	0.8
188.10690	0.6
191.07207	0.4
193.15895	0.5
194.16173	0.5
200.14302	1.0
204.06416	2.7
205.07364	1.9
206.08113	1.6
214.08778	0.9
214.12271	6.9
216.06598	1.0
216.13832	15.8
218.08051	0.9
229.07440	0.7
230.08136	1.5
242.11885	1.4
243.04727	1.0
244.09790	1.0
244.13321	5.4
244.17041	0.5
246.14897	0.5
247.13242	6.8
248.11049	6.0
258.07755	0.9
258.11258	3.7
260.12811	15.5
261.13007	0.6
263.62692	0.5
276.10519	9.3
276.13757	0.8
278.12115	0.8
286.14441	1.2
287.03784	4.8
288.15936	0.6
292.09995	29.8
293.10477	1.1
302.11725	0.6
305.05096	0.5
306.11551	1.7
316.15363	0.9
318.11740	2.2
320.13235	0.9
334.16406	1.0
346.11044	1.0
348.12631	1.4
351.06314	0.6
359.52661	0.5
366.13522	1.1
375.13605	3.2
377.15256	0.8
380.90204	0.4
403.13034	0.9
405.14676	5.1
405.18628	0.5
406.15161	0.6
409.18433	0.5
421.14249	27.0
422.14590	1.7
433.18365	1.3
435.15909	1.8
447.15726	1.7
449.17365	1.0
451.19427	2.4
465.17297	1.0
477.17020	2.4
495.17984	100.0
496.18295	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	495.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30976	0.4
55.05507	0.7
57.54241	0.5
67.05489	1.3
69.03410	1.0
69.51706	0.5
70.01909	1.7
79.05487	0.7
81.07045	2.0
84.08126	1.2
86.09741	0.6
91.05447	0.6
93.07051	0.6
95.08607	1.0
105.07005	0.9
107.08581	1.9
109.06538	0.7
109.10149	2.2
110.07183	0.6
120.08095	1.2
121.10117	1.0
123.11669	0.9
133.10144	1.5
165.12689	0.5
173.12947	0.8
179.03081	0.6
181.05022	1.5
182.05341	1.0
183.21896	0.5
187.71028	0.6
223.15494	0.7
225.03741	0.5
231.13580	1.1
243.04741	3.1
245.06564	0.5
249.14629	1.5
269.02689	1.1
285.02042	0.9
287.03708	23.7
289.05246	3.8
409.18353	2.8
433.17990	0.7
451.19299	12.5
452.19843	0.8
495.18335	100.0
496.18939	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04776	0.6
55.05517	0.6
70.06578	3.0
70.62689	1.7
83.04964	0.9
85.02901	0.7
91.05482	0.7
95.04955	0.6
95.08604	1.1
105.07001	3.6
106.07349	0.8
107.02731	0.6
119.08563	1.0
121.10153	0.6
123.08057	6.6
124.08373	3.5
127.00113	0.8
133.06479	2.7
134.06862	1.5
147.11713	1.1
151.07524	7.7
152.05727	3.8
152.07841	6.2
154.12241	1.4
157.03470	0.7
182.11884	0.8
203.05220	1.9
227.05357	1.5
229.11980	12.3
229.14110	1.2
231.13536	3.7
240.21707	0.6
245.06311	5.9
245.11621	0.7
245.24895	0.7
247.13040	3.1
271.04236	1.6
287.03693	6.4
289.05267	78.2
290.05618	1.9
451.19363	7.9
495.18320	100.0
496.18457	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	495.1848
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
53.03950	0.6
53.78133	0.3
55.05510	1.5
58.99581	0.3
67.05502	0.5
69.03428	0.9
69.10235	0.3
70.20197	0.8
73.02917	0.5
76.02245	0.3
79.05510	0.3
81.03442	0.5
83.04977	9.5
84.04482	1.7
85.02896	1.0
87.00838	0.5
87.02663	0.5
88.02249	0.4
88.04008	0.9
91.05505	0.7
91.50235	0.3
94.85792	0.3
95.04983	0.5
97.02917	0.4
99.04454	2.0
100.45860	0.3
105.07029	0.5
107.09800	0.3
109.02905	0.6
114.03749	1.4
117.04989	0.3
117.07037	0.5
119.08573	0.9
122.02699	0.9
123.08086	0.7
127.03944	0.7
130.05020	0.6
133.06506	0.3
135.08038	0.7
142.03265	0.4
143.08617	0.4
145.06503	1.9
147.08076	0.9
149.09508	0.3
151.03908	4.8
151.05034	0.7
152.04279	1.4
153.04453	1.1
155.08492	0.4
156.09387	0.3
159.08058	1.5
160.04274	1.0
160.08760	0.5
161.06032	0.6
166.07794	0.4
171.11743	0.4
173.05956	0.4
175.07527	1.8
177.05386	0.5
181.04968	0.7
184.08772	0.4
185.04239	0.6
185.05965	0.4
185.09663	0.4
187.07468	0.6
188.08279	0.4
192.18393	0.3
199.11252	1.9
201.09004	0.7
203.10487	0.4
204.53607	0.4
207.13744	0.4
209.09659	0.5
212.08319	1.0
212.25581	0.3
213.09138	0.3
227.05367	0.3
227.10677	5.8
229.12201	2.7
243.10185	0.5
245.11723	8.7
245.14172	0.5
246.12119	0.9
247.13232	1.9
251.07048	1.1
289.05334	1.0
334.14487	0.4
348.12628	0.7
409.18304	4.8
433.18262	0.7
451.19333	19.3
452.19730	1.1
477.16754	0.6
495.18332	100.0
496.18610	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	495.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14754	0.5
55.05493	0.5
57.57793	0.4
67.79814	0.4
69.03426	0.7
71.06428	0.8
83.04968	0.5
98.30833	0.4
112.19603	0.5
119.08614	0.5
121.06520	0.6
121.63277	0.5
127.03996	0.5
131.08505	0.5
135.08058	1.0
145.06471	1.5
147.08058	0.7
149.09634	0.6
159.08046	5.0
160.08759	0.9
161.05986	1.0
173.09636	1.1
175.07509	2.0
177.09135	1.2
186.10411	0.5
187.07495	0.9
188.08336	2.7
189.09103	5.4
196.08794	0.6
199.05817	0.8
199.07532	6.1
201.09250	1.1
201.12672	0.7
229.12228	28.3
230.12598	1.2
247.13287	100.0
248.13643	3.7
293.01282	0.5
495.18658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39824	0.1
55.05513	0.3
56.28893	0.1
56.78354	0.1
58.33902	0.1
59.04994	0.1
67.05499	0.1
69.03426	0.4
69.07073	0.1
71.05003	0.3
79.05488	0.1
81.03426	0.3
81.17982	0.1
83.04980	1.0
85.02899	0.2
89.73495	0.1
91.05472	0.4
91.06000	0.1
91.22652	0.1
91.56274	0.1
93.07040	0.3
95.04939	0.1
97.02872	0.1
98.23505	0.3
105.07021	0.7
109.02879	0.2
115.05471	0.2
117.07051	0.4
119.08565	0.4
121.06489	1.0
127.03917	0.3
128.06215	0.6
129.06989	0.2
131.08571	0.7
132.05705	0.1
133.06476	0.4
133.10133	0.3
135.04413	0.4
135.08032	0.9
141.07001	0.2
142.07809	0.2
143.08554	0.4
145.06459	1.2
145.10135	0.3
146.07274	0.1
147.08063	0.5
149.09648	0.3
155.08554	0.2
158.07304	0.2
159.08041	4.7
160.08829	1.7
161.05980	0.9
161.09605	0.7
171.08032	0.7
172.08847	0.8
173.06052	0.2
173.09644	1.1
174.06712	0.2
175.07530	2.8
177.09105	1.3
178.07623	0.1
181.06412	0.2
181.83351	0.1
185.09698	0.1
186.10382	0.6
187.07527	1.0
187.11209	0.2
188.08311	3.3
189.09085	4.9
190.09311	0.1
196.08823	0.8
199.07529	7.0
200.08058	0.2
200.85675	0.1
201.09087	0.6
201.12781	0.7
206.03528	0.1
211.11105	0.3
213.09071	0.3
214.09900	0.8
223.76372	0.1
229.12222	30.5
230.12553	1.4
247.13272	100.0
248.13626	4.0
338.90576	0.1
451.19583	0.2
495.18597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05260	0.6
55.05511	10.1
65.58871	0.4
69.03426	1.7
70.06593	0.6
70.51196	0.5
73.02922	0.5
81.03407	1.1
83.04980	100.0
84.05310	1.2
85.02898	1.5
87.00796	0.8
91.05482	1.1
93.07039	0.5
95.05001	0.4
97.02895	1.1
99.04447	1.0
109.02883	0.8
117.07043	0.5
119.08562	1.3
121.06510	1.0
127.03928	1.3
145.06485	0.4
147.08044	1.8
173.05975	3.7
189.09129	0.4
201.12788	1.1
211.11174	0.7
215.10725	1.4
229.12231	21.4
230.12621	0.5
247.13400	2.0
495.38736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05512	15.6
57.07070	4.0
62.43953	1.0
69.03423	4.0
69.07072	3.7
69.52216	1.2
69.52498	5.5
70.06593	3.3
73.88618	1.0
73.93415	1.2
74.09721	3.1
78.00975	1.2
81.03415	5.1
82.06591	1.7
83.04980	100.0
83.08625	3.0
85.02898	7.6
86.09695	3.0
87.00832	3.1
91.05488	1.1
94.11929	1.2
97.02898	4.4
98.22678	2.6
98.28191	1.3
99.04465	1.3
100.07623	4.4
100.11263	11.6
105.01849	2.9
105.07038	1.8
109.02898	5.2
111.04397	5.8
112.07652	2.5
117.06974	1.7
119.08555	5.8
121.06532	1.5
122.02635	1.3
126.09164	1.1
127.03880	6.6
128.07094	3.2
133.06509	2.1
136.65633	1.5
143.78922	1.2
145.04968	2.4
145.06482	2.2
147.08046	12.5
156.13840	20.2
157.46448	1.2
159.02898	1.4
159.08032	5.4
161.05989	2.6
163.07660	1.8
168.13834	10.5
182.15366	7.4
184.13322	11.6
189.09113	4.1
191.07014	2.7
196.13280	7.6
199.11212	2.0
201.09131	1.9
209.16518	3.2
210.14944	8.3
227.10605	4.2
228.16133	1.5
229.12257	4.9
245.11803	1.8
247.09671	1.6
247.13097	3.1
255.10179	3.9
283.23706	2.8
295.23880	2.7
300.26474	3.2
306.48349	1.4
312.26456	6.0
313.99509	1.2
410.30246	4.1
422.30103	4.3
477.37924	4.0
481.51157	1.3
495.16409	2.2
495.39145	23.6
521.87793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44118	2.1
51.30670	2.2
53.27774	2.0
56.99041	2.2
61.29139	2.0
70.06596	5.1
86.09717	2.3
104.99273	31.6
152.73537	2.2
160.50438	2.5
165.00941	2.3
167.29950	2.2
196.73628	2.3
206.51532	2.5
222.53685	2.3
344.31635	4.0
353.17191	10.1
413.19321	100.0
414.19446	5.3
454.21725	2.7
494.40570	9.1
495.40585	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	495.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
57.58876	0.2
59.60278	0.2
61.02872	0.2
67.05448	0.7
69.07018	0.3
71.43925	0.2
79.05438	0.6
81.03395	0.3
81.07009	1.0
85.02839	0.3
91.05437	0.6
93.06985	0.6
95.04922	0.3
95.08553	0.3
95.66147	0.3
97.02841	0.3
105.07001	0.4
107.04804	0.2
107.08499	0.3
109.06467	0.3
109.10084	0.4
116.39886	0.2
117.06972	0.4
118.61628	0.2
119.08519	0.5
121.10048	0.3
129.06981	0.3
131.08574	0.4
145.10114	0.4
147.11647	0.3
185.04222	1.9
191.90141	0.2
221.11433	0.6
222.60135	0.2
235.13054	0.6
251.12442	0.5
333.20313	100.0
334.20670	3.8
338.16846	0.2
385.23569	0.3
397.18472	0.4
413.19220	0.3
495.25604	90.6
496.25870	4.6
522.37292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05499	3.3
57.03429	34.6
61.02910	10.1
65.62280	3.1
67.05495	7.0
69.03426	36.4
69.07077	4.5
70.80219	3.3
71.04978	13.5
71.42803	5.2
73.02912	61.4
81.03416	20.3
83.04979	5.0
84.08105	5.8
85.02898	49.0
86.09705	50.0
91.05468	19.3
93.07034	37.3
95.04963	20.8
97.02906	41.7
99.04440	12.6
105.04516	4.0
105.83372	3.1
109.02832	5.1
109.06415	3.2
110.07121	7.4
111.04440	6.2
111.08085	7.9
115.03944	30.4
121.06495	59.2
123.04395	8.2
127.03893	15.4
132.10188	31.9
133.04965	8.5
137.05930	19.5
139.07535	20.0
145.04945	10.6
149.05988	35.2
163.05960	4.1
167.07042	100.0
172.36009	3.2
181.04915	5.2
185.08110	6.9
191.35999	3.7
209.08090	4.4
263.09253	4.2
271.84860	3.5
299.10916	4.3
362.07635	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.5
55.05505	10.6
57.07866	1.4
59.04998	2.7
61.02927	1.8
67.05503	29.0
69.03414	4.9
69.07059	2.4
69.59047	5.8
69.59438	3.2
70.43578	1.5
71.04994	8.5
73.02905	1.7
77.93148	1.6
79.05518	2.0
81.03413	2.0
81.07058	6.9
85.02905	10.0
91.05476	3.9
93.07018	9.5
95.04950	5.0
95.08602	100.0
96.08939	1.7
97.02914	2.6
99.00795	6.8
99.04439	2.9
101.06039	2.3
107.08533	1.5
109.10154	77.4
113.05981	5.6
119.08571	6.6
119.74904	1.7
121.10159	2.0
127.03893	1.5
137.09616	48.9
143.58168	1.3
145.04921	1.4
147.08032	6.4
155.10654	23.5
165.09109	80.2
183.10179	34.5
201.11206	26.5
253.10632	7.7
281.10175	53.0
281.13278	2.7
282.10733	1.9
287.03702	3.1
288.03934	1.8
299.11215	18.4
317.12180	2.9
496.18646	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.1
56.05029	0.5
57.03422	0.2
57.07072	0.7
58.06629	0.4
59.07383	0.1
60.08160	6.3
62.16204	0.1
67.05508	0.2
69.07056	0.2
71.07369	3.4
71.08629	0.5
71.45645	0.1
81.07073	0.2
83.04971	0.1
85.10174	0.2
86.09699	32.5
87.10028	0.3
95.08609	0.2
98.98454	3.5
101.80182	0.1
104.10736	3.1
121.10028	0.1
124.99993	22.2
126.00341	0.2
143.01039	0.1
184.07326	100.0
185.07686	0.9
244.50963	0.1
258.10995	0.2
313.27283	0.4
392.91238	0.1
478.32953	1.0
496.33862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05510	0.5
56.05037	1.4
57.03440	0.5
57.07074	3.6
58.06575	1.2
59.07389	0.4
60.08163	17.7
61.08497	0.2
63.33987	0.1
65.03986	0.2
67.05505	0.8
69.07069	0.6
70.06596	0.2
71.07372	7.2
71.08623	1.8
80.87125	0.1
81.07052	0.8
83.08633	0.6
85.10181	1.0
86.09705	52.3
87.10044	0.4
95.08600	1.1
97.10168	0.2
98.98463	4.7
104.10740	100.0
105.11060	0.7
109.10173	0.4
124.99997	30.8
143.01085	0.4
147.61797	0.1
149.63109	0.1
163.01553	0.8
181.02588	0.2
184.07333	99.2
185.07732	1.0
199.03723	0.1
258.10989	1.0
283.26364	0.2
313.27417	1.8
361.43427	0.1
419.25720	0.4
478.32916	8.2
479.33356	0.3
496.33966	26.1
497.34369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
56.05021	0.9
58.06301	0.8
58.06593	15.4
58.99576	4.6
60.18584	0.8
64.62263	0.7
68.11346	0.8
69.07061	1.0
69.21315	3.3
69.21721	1.6
73.01153	3.5
76.02221	6.6
79.05477	0.9
81.03429	0.6
81.77551	0.7
83.04974	25.8
83.06018	0.9
84.04498	24.7
86.99031	2.4
88.03979	1.1
91.05479	3.6
93.07037	1.0
99.02655	3.4
105.00053	3.8
105.07021	1.4
107.04958	0.8
107.08582	3.0
114.03710	0.8
115.05416	2.0
116.05287	3.2
116.06091	0.9
117.06998	9.1
119.08589	1.1
121.06490	0.8
122.02716	15.3
128.06219	2.2
129.06944	1.4
130.04984	11.0
131.08536	1.1
133.06468	1.1
135.04405	1.0
135.08040	16.0
142.03209	5.6
143.08504	0.8
145.03172	2.2
145.06462	9.1
147.08044	2.4
159.08002	1.8
161.05952	3.6
162.05821	22.0
163.07506	4.6
170.08096	1.4
171.07903	1.8
172.08821	1.1
173.05951	5.3
176.07384	0.8
182.06317	1.5
186.10379	0.9
187.07547	1.2
187.11197	1.9
188.03754	3.2
189.09100	2.5
191.06967	3.6
196.08855	1.0
199.07419	1.1
201.12708	3.1
211.11176	2.2
213.09105	0.7
217.08174	1.1
229.12212	100.0
230.12457	3.7
233.05862	0.8
234.04265	2.2
245.09818	0.8
247.13181	2.0
249.11398	0.7
251.06937	14.3
291.10034	10.4
332.13330	0.8
333.11038	2.3
414.20142	0.9
461.17514	1.6
497.19479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
56.05027	4.9
57.07069	2.4
58.77298	1.1
58.99592	4.4
68.05026	1.6
69.03433	1.4
69.07053	2.1
69.28358	2.3
69.28758	4.3
74.00651	1.4
76.02226	8.6
79.05482	1.6
83.04979	100.0
84.04504	39.7
85.06551	2.1
86.32332	1.1
86.99050	2.2
88.02203	7.6
88.03986	10.5
91.05478	5.7
93.07038	5.3
95.04979	1.8
96.51051	1.0
97.06519	2.6
100.02206	1.6
100.11280	1.2
103.05441	1.4
105.00084	2.7
105.07029	28.9
105.07737	1.5
109.02885	1.2
114.05527	2.1
115.05478	1.4
117.06996	2.5
119.08527	2.2
121.06501	28.3
122.02723	47.9
123.33308	1.0
125.07130	1.8
127.03889	1.9
128.06262	1.6
130.05009	12.5
132.05702	3.6
133.06490	39.1
134.02716	2.1
134.34502	1.1
135.04387	3.0
135.08043	8.3
137.04204	19.2
142.03241	2.8
143.08543	1.4
145.06479	15.2
146.02687	1.6
147.02692	1.8
147.08029	9.3
150.01338	7.0
153.06758	1.5
154.05009	2.2
155.08479	1.3
158.07246	1.7
159.08051	4.6
159.11630	1.3
161.05965	8.3
165.03691	46.1
168.09398	2.2
171.07703	6.6
172.08849	1.3
173.06017	4.9
173.09630	1.4
175.07611	1.9
181.06483	2.0
183.08058	2.2
183.11671	2.5
185.09674	1.4
186.10408	2.6
187.07568	3.3
187.11121	6.9
188.03798	2.6
193.10205	1.9
195.07983	1.8
196.08827	8.0
199.07224	1.8
199.11179	8.7
201.12703	7.8
211.11179	65.9
212.11740	3.3
213.12753	1.6
217.08234	10.9
227.10661	1.5
229.12230	90.0
230.12569	2.6
231.04343	1.4
231.13692	2.3
234.04324	3.0
243.08403	3.4
245.09846	6.3
247.13336	12.7
251.06943	6.7
254.08449	12.1
261.09360	2.7
263.06946	1.8
332.13083	11.0
350.14136	11.6
368.15216	3.1
383.12762	3.7
412.51797	1.1
461.17444	15.4
479.18332	8.7
497.19873	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	497.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15164	1.3
54.20823	1.0
55.01862	2.3
55.05506	12.2
56.05021	2.0
58.99578	3.7
69.07028	1.3
69.38400	3.1
69.38792	3.9
76.02224	8.1
79.05495	2.0
83.04975	100.0
84.04018	2.0
84.04501	32.0
84.05280	1.6
86.99039	2.4
88.02215	6.1
88.03990	8.2
91.05463	3.7
93.07053	2.9
95.04961	2.3
97.06526	4.9
98.23448	2.9
100.02194	2.8
103.05469	1.3
105.00094	4.5
105.07027	32.0
107.08608	2.0
108.08889	1.2
109.06534	1.9
115.05422	1.5
116.52983	1.1
117.07016	2.8
119.08552	2.5
120.33039	1.4
121.06494	24.4
122.02718	62.8
123.08056	1.6
125.07124	1.4
130.04988	12.0
132.05710	2.7
133.06485	66.2
134.02702	2.9
135.08034	11.9
136.08481	1.3
137.04196	16.6
142.03227	4.1
143.08511	2.0
145.05444	2.1
145.06480	16.2
146.02663	3.2
147.02573	2.5
147.08029	12.4
150.01314	6.5
150.40915	1.3
150.48901	1.3
154.04996	1.5
157.99153	1.4
158.07314	1.5
159.08032	3.1
161.05963	7.3
163.07539	12.1
164.07872	2.3
165.03690	50.5
166.81790	1.2
171.07745	4.2
171.11673	2.2
172.08783	2.2
173.05983	6.0
178.07803	1.4
181.06512	1.9
183.11707	1.9
185.09737	1.4
187.07413	1.3
187.11218	6.2
188.03824	1.9
196.08835	6.7
199.11188	8.7
201.12741	8.3
207.32915	1.2
211.11160	52.1
215.10599	1.3
217.08144	6.9
227.10590	5.8
228.10901	1.7
229.12225	80.2
230.12573	2.1
231.04288	1.7
234.04366	3.0
243.08385	1.6
245.09782	3.1
245.11815	4.6
247.11378	1.3
247.13341	16.0
251.06979	6.2
254.08435	13.3
261.09335	2.0
279.10620	2.0
332.13202	8.7
350.14209	21.4
368.15491	3.4
383.12967	1.7
416.15134	1.8
461.17368	17.5
479.18488	13.0
497.19888	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	497.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35926	0.7
55.05492	0.7
57.07067	0.8
58.03558	0.7
67.05510	1.4
69.03419	0.9
69.07050	1.1
70.06586	1.6
72.73203	0.7
79.05506	1.6
81.07071	1.8
83.04961	0.8
85.02921	0.8
86.09715	0.9
86.10458	0.7
91.05486	1.9
93.07070	1.3
95.04900	1.2
95.08620	2.7
96.08926	1.1
105.07008	1.7
107.08581	5.9
109.10193	2.2
110.07183	1.3
110.10437	0.8
116.06277	0.7
119.08575	2.6
121.10102	5.3
121.29791	0.8
121.80326	0.7
123.11719	1.0
131.08577	2.1
133.10136	1.3
135.11742	2.1
136.07584	2.1
137.09613	0.8
137.13242	1.0
138.09915	0.9
145.10152	1.8
147.11711	1.6
149.13300	1.7
158.10896	1.9
165.09213	1.1
173.13322	2.8
178.38425	0.7
203.05324	2.6
227.05280	1.3
231.13571	4.0
245.06311	6.6
249.14696	3.4
250.14456	0.9
271.04266	1.6
287.03787	2.7
289.05280	50.8
290.05603	1.0
393.19058	1.2
411.19977	6.3
423.12656	1.8
435.19788	5.4
453.20978	16.9
461.17822	2.2
479.18866	34.8
480.19403	1.3
496.28787	1.0
497.19974	100.0
498.20157	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	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05507	1.0
71.41918	0.3
73.45044	0.3
76.13818	0.2
77.38931	0.3
81.07051	0.5
83.04987	4.8
84.04507	0.8
84.05325	0.8
85.02902	0.4
91.05463	0.5
93.07058	0.5
98.09683	0.3
99.04457	0.5
107.08586	0.4
109.06519	0.9
119.08590	1.3
120.08141	0.3
121.06537	0.3
122.02735	0.3
126.87169	0.3
127.03922	0.6
130.04988	0.4
135.08047	2.2
137.09613	0.3
143.08549	0.3
145.06546	0.4
147.08046	0.3
163.07561	0.6
175.07562	0.8
182.15439	0.5
185.04231	0.7
185.13297	0.4
198.14990	0.8
199.11223	0.3
210.14958	0.5
211.11234	0.5
213.12773	0.5
226.14464	0.5
227.05284	0.9
227.10733	0.4
229.12314	1.2
231.13786	1.0
245.11780	1.1
247.13303	1.9
249.14621	1.7
277.14188	0.4
291.15784	0.6
337.21597	0.3
382.23062	0.4
393.18930	0.7
411.19897	9.2
412.20190	0.5
435.20166	1.5
453.20966	28.1
454.21475	1.5
497.19928	100.0
498.20245	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	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05507	1.0
71.41918	0.3
73.45044	0.3
76.13818	0.2
77.38931	0.3
81.07051	0.5
83.04987	4.8
84.04507	0.8
84.05325	0.8
85.02902	0.4
91.05463	0.5
93.07058	0.5
98.09683	0.3
99.04457	0.5
107.08586	0.4
109.06519	0.9
119.08590	1.3
120.08141	0.3
121.06537	0.3
122.02735	0.3
126.87169	0.3
127.03922	0.6
130.04988	0.4
135.08047	2.2
137.09613	0.3
143.08549	0.3
145.06546	0.4
147.08046	0.3
163.07561	0.6
175.07562	0.8
182.15439	0.5
185.04231	0.7
185.13297	0.4
198.14990	0.8
199.11223	0.3
210.14958	0.5
211.11234	0.5
213.12773	0.5
226.14464	0.5
227.05284	0.9
227.10733	0.4
229.12314	1.2
231.13786	1.0
245.11780	1.1
247.13303	1.9
249.14621	1.7
277.14188	0.4
291.15784	0.6
337.21597	0.3
382.23062	0.4
393.18930	0.7
411.19897	9.2
412.20190	0.5
435.20166	1.5
453.20966	28.1
454.21475	1.5
497.19928	100.0
498.20245	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	497.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69497	0.9
69.07074	1.0
70.01814	0.9
71.28573	1.2
76.02226	1.3
79.05506	1.6
81.07031	1.3
91.05460	2.7
93.06998	1.3
95.04962	1.2
105.07013	2.4
107.08598	7.2
109.06527	1.3
119.08588	1.6
121.10176	5.2
131.08572	1.7
135.08061	3.5
135.11690	2.8
145.10107	1.2
149.13263	1.1
156.03496	1.0
158.10948	1.7
173.13264	2.0
179.04860	1.3
185.11665	1.0
203.05217	1.4
213.12630	1.2
227.05280	1.2
231.13588	3.4
245.06322	8.1
249.14589	1.7
256.44873	1.0
271.04276	2.0
287.03763	3.1
289.05267	55.6
291.14401	1.7
411.19901	3.4
423.12564	11.5
435.19913	2.4
453.20993	14.8
461.17712	2.2
479.18878	11.5
497.19940	100.0
498.20270	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	497.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01865	13.8
55.05505	15.5
57.03445	1.9
61.02913	1.5
67.05509	2.2
68.99782	1.0
69.03424	11.2
69.07056	1.6
69.46621	4.7
71.04977	1.4
73.02899	1.8
79.05490	2.6
79.71100	0.9
81.03400	8.5
81.07048	3.9
83.01337	1.6
83.04972	100.0
83.08617	1.0
84.05276	1.5
85.02892	17.3
87.00822	8.2
91.05466	13.5
93.07027	6.5
95.04960	2.3
95.08597	10.6
97.02881	8.4
98.97572	1.1
99.04427	3.9
100.11217	1.2
105.01823	5.3
105.07020	6.1
107.08605	6.4
109.02869	9.9
109.06506	14.2
111.04393	1.1
115.05457	2.4
117.01812	1.4
117.06976	6.5
119.04946	6.9
119.05690	1.2
119.08567	55.5
120.84962	1.4
121.06477	4.9
121.10136	3.0
123.08053	5.3
127.03912	12.4
128.06218	3.7
129.01855	1.5
129.06975	6.3
131.08531	2.9
133.06425	1.5
133.10097	2.5
134.89630	0.9
135.08005	4.9
137.06017	1.0
139.07541	1.5
139.11092	1.0
141.06923	1.5
141.09091	16.1
142.07788	5.6
143.08527	6.6
145.04909	4.1
145.10143	1.8
147.08031	15.3
149.09596	2.2
149.37442	1.0
151.07520	1.8
153.06908	1.3
155.08537	7.8
156.09311	2.8
157.06491	3.0
157.10109	8.0
159.02879	3.7
159.08040	1.5
159.11690	1.0
161.09595	5.0
161.13232	1.0
163.07489	1.0
165.06987	3.6
165.09114	3.0
170.10898	24.6
171.02643	1.0
171.08022	2.5
171.11639	3.6
172.08847	1.7
173.09595	2.4
175.07529	21.4
175.11171	2.7
179.75977	0.9
180.09311	2.9
183.08061	1.6
185.09665	1.5
185.13240	26.9
189.09103	2.8
189.12704	2.7
193.08568	3.2
195.11667	3.5
198.10388	3.9
203.14293	12.5
213.12717	12.9
227.13779	1.0
231.04930	1.4
231.13776	49.6
232.14130	1.4
249.11211	1.3
249.14821	9.8
409.21872	0.9
441.29495	1.3
446.85300	0.9
479.18741	1.6
497.20450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01854	1.6
55.05505	16.6
57.03426	1.2
57.71753	0.5
59.05003	0.6
59.30318	0.5
61.02937	0.5
67.05485	1.1
69.03426	3.7
73.02918	0.6
79.05479	1.9
80.85966	0.4
81.03422	3.6
81.07051	5.3
83.04973	100.0
84.04496	0.5
84.05298	1.2
85.02897	12.5
87.00822	3.5
91.05476	3.4
91.27039	0.4
93.07046	2.1
95.04958	1.2
95.08601	2.5
97.02859	2.9
98.22723	1.7
99.04442	1.6
105.01877	2.0
105.07028	3.3
107.04948	0.7
107.08596	1.8
109.02862	4.0
109.05851	0.5
109.06470	2.6
116.06287	0.5
117.07013	1.2
119.04942	0.9
119.08585	3.6
121.06512	2.0
122.02732	0.8
123.08067	2.0
127.03887	4.9
128.06227	1.1
129.06993	1.6
131.08574	4.0
133.10139	0.7
135.08066	1.9
141.09084	4.4
142.07744	1.3
143.08565	2.4
145.04941	1.6
145.06488	1.2
145.10120	1.3
147.08025	2.5
149.09581	2.6
155.08551	1.4
156.09294	0.9
157.06415	0.5
157.10139	1.8
159.02887	1.1
159.08047	0.7
161.09650	1.6
162.05809	0.6
163.07535	0.6
165.07022	0.8
170.10854	2.6
171.08159	0.7
171.11708	1.2
172.08868	0.6
173.09599	6.0
175.07587	1.7
180.09317	0.6
185.13226	2.9
187.11139	0.6
189.09106	1.0
189.12758	1.6
195.11717	1.3
198.10402	1.6
202.95100	0.6
203.14330	1.6
213.03983	0.7
213.12708	10.3
229.12228	3.9
231.05064	0.8
231.13783	16.9
232.14006	0.7
249.14876	0.8
283.97427	0.6
299.41702	0.5
376.06824	0.5
404.79553	0.4
429.26297	0.5
497.19748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2722
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
54.60324	0.6
67.05485	1.2
69.34770	4.7
79.05452	1.0
81.07055	2.2
91.05479	0.9
103.27007	0.8
113.62945	0.7
123.27541	0.8
127.91431	0.8
160.45355	0.8
179.59412	0.9
182.94150	0.8
185.04231	5.7
335.21912	86.5
336.22275	1.7
414.95361	0.9
415.20819	11.5
497.27188	100.0
498.27438	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01867	6.8
55.05498	21.6
57.03431	25.1
57.07056	4.4
59.11963	3.1
61.02920	58.0
61.39608	3.5
65.03913	3.8
67.05495	100.0
69.03423	48.8
69.07075	29.1
71.01342	8.4
71.04982	8.6
73.02901	27.2
79.05043	5.7
79.05486	66.2
81.03398	22.5
81.07049	85.2
83.04960	10.2
83.08605	11.3
85.02901	55.0
87.04501	3.4
91.03949	33.8
91.05476	46.9
91.75697	3.5
92.45544	3.8
93.07038	60.9
95.04962	11.2
95.08596	73.0
97.02885	48.2
97.10162	5.5
99.04447	15.3
101.02391	8.6
103.03928	10.0
105.04504	6.6
105.06996	37.2
107.04958	3.6
107.08575	36.9
109.02872	12.5
109.06509	11.7
109.10154	31.7
111.04449	4.1
115.03942	8.1
117.05514	5.3
117.07002	15.8
119.08559	28.3
121.06537	4.0
121.10139	29.5
123.08072	4.3
123.11686	12.8
127.03922	20.6
129.05437	5.9
129.06979	8.5
131.08559	21.5
133.10106	25.7
135.11678	17.2
137.09654	4.8
143.08537	3.8
145.04939	7.8
145.10098	25.5
147.08049	7.0
147.11667	18.2
149.13251	10.3
157.10179	6.3
159.11661	17.6
161.13295	8.5
163.11095	4.5
170.50661	3.7
173.13264	13.6
173.26746	3.6
175.14816	8.7
180.63622	3.8
187.14769	5.1
195.11720	3.9
207.56624	4.0
223.70056	3.6
243.21101	6.7
261.22177	14.4
277.21518	3.9
292.91116	4.3
335.25714	65.4
338.96692	4.2
345.24075	4.4
369.24179	6.6
479.29791	5.9
497.17175	3.8
497.30716	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	498.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30605	0.9
53.03933	1.2
55.01857	1.0
55.05509	10.5
57.03431	1.9
57.30882	0.9
59.05004	1.3
60.17199	0.9
61.02935	2.0
63.76098	1.0
64.45499	0.9
67.05502	3.2
69.03431	4.3
69.07067	57.3
70.06583	1.3
70.62346	1.3
71.04977	1.0
79.05502	1.9
81.03422	1.6
81.07047	9.9
83.04972	3.0
85.02895	9.2
92.07050	1.0
93.07045	4.7
95.08614	6.7
97.02908	3.2
97.06545	5.7
97.10171	30.6
98.10505	1.0
99.00815	6.6
99.52665	0.9
111.11717	32.4
115.11224	1.3
120.34149	0.9
121.10152	8.9
123.11723	2.2
127.03904	1.6
135.11751	1.2
139.11171	63.0
145.04973	1.5
145.10117	1.0
157.12238	25.9
167.10747	1.1
170.36436	1.1
180.08699	1.6
185.11743	8.6
191.10606	1.3
203.12773	19.1
219.10233	1.3
255.12241	9.9
283.11798	10.8
283.15424	3.0
301.12814	100.0
301.16153	4.1
302.13110	2.3
479.00937	1.1
498.19727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	12.2
69.43403	10.2
69.80261	2.1
70.06559	2.5
74.09715	7.5
82.61852	2.2
94.06560	19.3
99.87675	2.3
122.02372	6.2
122.06033	33.6
136.07558	13.4
144.08041	2.3
146.09634	3.1
158.09763	3.7
160.07570	14.3
162.09125	8.2
172.07547	2.9
173.10753	5.0
174.09151	12.1
180.10199	11.1
182.04520	2.5
186.07854	4.3
187.08679	5.4
188.07095	4.8
197.10786	4.4
198.09167	5.8
199.08662	9.9
200.09399	7.4
201.10229	41.0
202.08636	4.2
203.99570	2.6
211.08682	6.6
213.06554	4.2
213.10193	14.1
215.08189	18.4
215.11787	10.1
216.08926	4.1
217.09662	2.6
223.08685	5.6
225.10237	13.9
226.08716	3.5
226.10660	2.9
227.08127	9.7
228.08853	3.9
229.07593	4.0
229.09685	25.7
230.10345	3.7
232.34444	2.9
234.11284	6.1
239.08209	18.9
239.11752	6.6
241.09734	14.9
242.10553	5.8
243.07561	4.1
243.11256	35.1
245.12698	3.7
251.08197	7.1
252.08887	2.8
253.09738	25.7
255.07788	4.0
255.11276	5.7
257.09122	15.3
257.12946	2.9
258.09900	13.4
259.10526	2.7
260.09167	5.7
265.09711	6.2
267.11374	4.0
269.09229	28.3
271.10791	39.3
273.12286	40.4
275.13928	24.6
283.10812	13.9
285.12320	9.6
287.13873	2.7
289.11966	3.7
289.15350	2.7
297.12259	3.3
299.13919	10.6
301.11829	16.0
302.12518	2.9
303.13434	37.0
303.16742	3.2
311.10193	14.3
313.11694	7.2
315.13406	32.8
317.14941	32.1
325.11774	9.6
327.13425	18.5
330.12021	4.0
331.13171	3.3
333.14410	17.7
335.16013	11.9
343.12900	100.0
344.13541	19.9
345.14435	88.0
361.13770	7.0
375.15494	92.4
376.16129	12.7
377.12433	5.1
377.17047	70.9
378.17178	3.8
424.18735	4.8
456.21350	32.0
466.19824	17.8
498.15375	3.8
498.22302	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40816	2.9
55.05522	3.0
69.03443	6.5
69.07053	4.1
70.75718	6.5
71.05016	3.4
79.05466	6.8
81.03418	5.6
81.07060	13.1
83.04996	10.4
85.02910	7.5
87.00832	4.7
91.05456	15.5
93.07048	12.7
95.04933	3.6
95.08609	5.6
97.02898	4.3
105.07024	12.2
107.08600	8.0
109.02867	6.4
109.33514	3.1
117.07038	9.7
119.08578	26.4
123.08070	6.8
127.03922	8.6
129.07008	4.7
130.07764	3.3
131.08557	13.4
133.10176	3.9
135.08046	10.4
143.08580	6.5
143.34755	3.8
145.05020	3.9
145.06467	3.5
145.10149	22.6
147.08092	10.0
149.02644	3.2
155.08549	3.3
157.10088	4.4
159.08040	7.4
159.11670	11.0
161.09683	3.6
161.13235	3.5
169.10081	3.5
173.09712	8.8
173.13365	4.0
187.14841	23.1
197.13310	13.7
215.14311	100.0
233.03262	3.3
233.15294	7.1
306.74686	3.2
457.24911	3.5
464.24246	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	498.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
66.82648	3.2
67.05499	4.5
69.03420	12.4
69.07074	3.5
71.42098	3.3
79.05502	4.1
81.03398	7.1
81.07040	10.9
83.04961	9.3
91.05489	2.9
93.07024	6.8
94.18282	3.1
95.08597	5.5
96.04527	3.6
104.71182	2.8
105.07031	10.1
106.02886	7.5
109.10179	3.1
111.04448	15.7
115.05462	3.3
119.08575	6.7
124.03945	100.0
131.08569	8.0
143.08607	5.3
145.10129	11.0
146.68210	2.8
147.11699	4.3
153.06940	5.0
155.08548	3.2
157.10034	5.8
159.11671	7.2
161.13322	3.4
169.10132	3.8
171.11681	6.3
175.14951	3.2
181.10107	4.0
183.08054	3.4
185.13239	5.4
187.14787	16.7
195.11598	4.0
197.13214	3.8
205.15904	6.0
211.14822	3.9
213.09196	3.5
225.05579	2.9
225.08990	5.1
242.09341	7.6
255.10242	5.6
256.26312	3.3
269.08118	3.4
269.18805	3.7
279.17426	4.2
444.82266	3.4
481.16760	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01871	3.1
55.05507	12.6
57.03436	8.4
57.07074	10.8
59.05000	48.5
61.02932	3.9
67.05507	12.6
67.25525	2.2
68.99777	2.6
69.03426	24.2
69.07066	76.1
70.39995	5.3
71.04971	4.2
71.08624	12.9
73.02913	5.8
73.06541	7.1
73.15328	2.1
77.06035	3.3
77.30463	1.7
79.05484	2.6
81.03419	17.1
81.07045	14.6
83.08598	3.1
85.02901	49.5
85.06541	2.8
85.10185	5.2
86.35900	1.7
87.00826	27.9
87.04449	7.7
91.05485	3.0
93.07044	4.3
95.05004	2.1
95.08582	2.6
97.02891	27.7
97.08959	1.7
97.10154	7.1
99.04452	8.2
105.01858	28.3
105.05496	21.6
105.07031	3.0
109.02865	18.3
109.10138	12.1
111.11715	72.9
115.11170	5.4
117.01823	2.4
117.05447	3.5
121.10206	2.2
123.11642	2.7
127.03902	31.8
127.11185	21.3
129.01845	2.2
129.12747	100.0
131.08545	2.3
133.10143	4.8
136.60872	1.7
145.04945	15.2
145.12234	4.3
149.13219	3.7
159.02870	7.1
159.11740	3.3
177.12730	6.1
187.16960	2.4
208.38885	1.9
213.03949	3.9
215.16388	27.2
231.04910	9.7
233.15411	2.0
233.17464	8.8
243.15907	10.5
249.06026	3.8
257.94247	2.1
269.17462	26.7
287.00864	1.8
373.13867	2.3
382.77866	1.9
416.89374	1.9
454.21280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.2
55.01873	3.6
55.05505	14.5
57.03431	9.6
63.07074	1.7
65.03915	1.8
67.05502	48.1
69.03439	2.4
69.07068	18.4
71.04987	4.6
72.24169	1.6
73.22566	2.1
78.03448	10.3
79.05490	31.5
81.03405	3.4
81.07053	56.7
83.04987	4.5
83.08617	12.6
84.20359	1.9
85.06544	3.0
86.24117	1.6
91.05471	24.4
93.07037	45.5
93.07598	2.6
95.04950	9.2
95.08604	18.1
96.04466	2.0
97.06493	9.2
103.18539	1.6
105.07030	18.4
106.02935	17.6
107.08599	24.2
109.06523	3.3
109.10164	4.4
111.04433	2.6
111.08085	6.1
117.07001	12.5
119.08562	18.4
119.91841	1.5
121.10126	15.2
123.08012	2.1
123.11712	2.7
124.03951	18.4
129.06981	2.6
131.08577	13.5
133.06526	1.6
133.10130	11.0
135.08083	4.0
135.11684	7.1
136.59850	1.6
141.06987	2.0
143.08601	4.1
145.10155	7.2
147.11699	10.1
149.13254	20.4
155.08577	3.0
157.10144	7.7
159.11707	16.4
161.13280	3.3
167.08589	2.1
169.10138	5.7
171.11710	5.7
173.13277	4.3
175.11208	2.3
177.12756	5.1
183.11684	3.6
185.13287	5.0
187.14781	2.8
195.11967	3.1
195.13841	12.9
197.13335	2.9
199.14822	4.5
203.14355	1.9
209.13313	2.5
233.40993	1.9
237.16451	4.7
251.16356	2.3
269.17435	58.3
297.18414	2.0
315.19485	16.1
324.23645	1.9
353.24826	2.4
371.25818	5.2
438.22647	2.0
445.29611	11.3
463.30551	100.0
464.30780	4.8
481.32040	2.8
498.17584	3.7
498.24866	68.5
499.25412	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	498.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.05513	9.4
57.03440	7.5
66.33868	2.1
67.05506	45.5
69.07063	13.9
69.68877	6.6
71.04990	2.9
79.05487	26.8
81.03416	2.6
81.07056	56.7
83.04963	3.7
83.08633	11.6
85.06562	2.1
91.05476	23.5
91.05984	2.2
93.07044	38.8
93.07613	2.9
94.55021	1.7
95.05001	5.5
95.08611	16.3
97.06546	6.9
97.10129	1.9
98.22793	2.5
105.07039	15.1
107.04964	1.9
107.08584	18.0
109.06544	2.6
109.10161	3.0
111.08106	3.7
117.07021	9.0
119.08559	8.6
121.06509	4.4
121.10132	10.7
123.11741	2.6
124.03880	1.6
129.06985	2.7
131.08543	11.5
133.10150	10.6
135.11720	5.9
143.08546	1.8
145.10162	3.0
147.11656	2.8
149.13249	14.9
151.11099	2.3
159.11693	11.4
162.95564	2.1
169.10152	2.1
173.13306	1.7
177.12741	4.0
183.11714	2.2
195.13828	11.9
197.19136	1.5
213.14771	3.0
255.36212	1.5
269.17487	48.5
315.19708	2.1
335.23895	2.0
343.68198	1.9
344.48135	1.7
353.24792	5.8
371.25735	6.4
389.27002	3.0
445.29489	17.3
462.57184	2.1
463.30539	100.0
464.30878	7.9
481.32379	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07077	40.1
69.07073	2.1
69.46028	3.6
71.08633	25.2
73.06560	6.1
80.12946	0.7
83.08628	1.8
85.10181	19.6
87.04467	4.1
89.06031	100.0
91.07575	1.8
97.10175	3.6
99.11730	2.9
100.51773	0.8
107.07056	1.7
113.13303	2.2
117.09129	3.9
117.12874	0.8
130.08669	1.5
133.08604	48.4
135.10083	1.2
145.06483	1.0
155.17932	4.1
161.11679	0.9
176.03407	0.9
177.11215	17.2
195.21561	0.8
199.07567	7.0
199.20515	3.8
200.08359	1.0
213.09137	3.2
214.09850	1.1
221.13860	2.2
225.09172	4.4
227.07079	1.9
229.00340	0.8
239.14873	2.5
242.09384	10.6
243.23201	7.6
255.10141	3.4
283.17538	1.6
287.25827	3.9
327.20071	7.8
481.16422	3.0
481.37292	9.2
499.17374	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30704	0.9
56.96553	1.0
58.06614	2.2
67.57265	1.3
70.75921	1.7
72.24917	0.9
79.05499	1.0
83.04988	3.3
84.04510	3.6
86.07497	1.0
91.05460	1.2
93.44514	0.9
98.97586	5.3
105.07069	1.4
116.98631	1.8
117.06998	2.1
119.08577	1.1
122.02753	2.8
130.04953	1.5
135.08057	6.1
136.08406	1.2
145.06577	1.4
149.09601	1.4
158.99713	2.7
162.05847	1.1
169.31583	1.0
177.00739	3.7
201.00801	1.5
219.01799	4.5
229.12206	8.9
230.12556	4.3
231.12936	2.4
233.15485	1.6
237.02766	1.9
251.06216	1.1
251.16304	1.2
261.02917	2.3
279.03995	1.7
287.01779	0.9
305.02676	42.7
305.06116	2.2
395.11151	2.7
407.38770	1.0
439.10010	100.0
439.56274	1.1
440.10544	4.5
455.13171	4.4
455.22437	2.7
499.12134	92.4
499.21262	14.1
500.12515	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	499.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54427	1.2
71.94981	0.5
83.04980	2.7
84.08138	0.6
86.90716	0.5
93.07018	0.8
95.04956	0.5
105.07037	3.1
109.06554	0.8
119.08575	1.0
133.06483	17.0
135.08107	0.7
141.65430	0.6
151.07565	0.9
173.05739	8.8
175.07581	1.7
203.05249	1.3
227.05147	0.6
231.13708	1.5
245.06345	4.6
250.11514	0.6
251.07108	0.6
271.04266	2.2
289.05276	100.0
290.05692	2.1
302.26645	0.5
319.12030	0.8
395.12973	2.2
404.73346	0.5
421.10837	2.5
439.12091	6.9
499.14017	22.7
499.20404	2.3
500.14551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92338	1.0
69.03422	9.0
70.35558	1.1
71.20557	1.9
82.04195	3.0
91.05508	1.2
95.04940	3.4
97.02882	5.8
98.92887	1.2
104.06232	1.9
105.07015	2.3
109.02873	2.4
115.05429	2.9
117.07013	1.6
121.06517	1.9
128.06206	4.2
129.06987	2.3
132.05699	5.0
133.06569	1.4
141.06999	2.1
142.07765	4.0
143.08531	4.2
145.06451	9.3
147.04373	1.7
153.06999	1.7
155.08563	1.8
156.09346	1.6
159.08089	2.9
160.05211	3.2
161.05983	6.7
166.07787	1.9
169.06493	1.3
169.10048	1.4
170.07352	1.3
171.08014	5.5
173.05937	2.3
181.06491	3.6
182.07234	5.0
183.08041	5.9
184.08736	2.0
185.05919	2.4
185.09599	6.2
187.07512	2.3
195.08023	3.8
196.08791	2.5
197.06046	1.1
197.09631	8.9
198.06812	2.0
199.07524	61.7
200.08272	8.3
201.09085	4.9
209.09497	1.7
211.07542	5.6
212.08292	17.7
213.09088	28.4
213.72173	1.5
214.09840	6.9
215.10583	2.1
222.52060	1.3
225.09067	41.6
226.09843	4.0
227.07016	15.6
227.10625	4.0
228.07736	1.4
229.08621	3.5
237.09181	2.1
238.09828	1.7
239.06898	1.8
241.08533	3.9
242.09348	100.0
243.10036	11.1
249.09090	2.6
255.10133	24.1
299.10596	1.5
313.12158	2.4
315.10022	1.6
323.10416	1.4
328.11044	2.5
328.14578	1.6
337.12131	1.6
339.12744	4.5
340.10785	1.6
341.11703	4.1
342.12241	1.6
353.11649	4.8
355.13147	8.3
356.14020	1.9
357.14914	1.8
365.11932	1.6
367.13300	2.4
377.11792	1.5
383.12784	3.3
384.13599	7.5
409.14325	1.6
423.15802	3.9
424.16586	1.9
435.15781	3.0
452.16110	18.7
453.16946	11.3
463.15192	7.0
481.16412	54.2
482.16727	3.8
499.17468	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	499.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13457	0.8
56.96764	0.8
58.12664	0.9
69.03427	8.5
69.76597	2.1
69.76949	2.4
77.80378	0.9
81.03358	1.1
82.04199	2.7
91.05484	2.4
93.63398	0.8
95.04971	4.5
95.08630	0.9
97.02888	3.9
98.23351	1.1
99.04450	1.0
104.06190	1.0
105.07030	3.6
109.02893	3.9
115.05471	3.2
117.07024	2.5
121.06506	2.1
128.06213	3.5
129.07028	2.7
130.16760	0.8
132.05699	3.8
133.06490	2.8
135.04433	2.6
141.06964	1.2
142.07773	3.0
143.08578	1.9
145.06493	8.7
154.07739	1.3
155.08546	2.1
157.10170	1.6
159.04376	1.9
159.08047	4.2
160.05177	5.4
161.05986	9.8
165.07010	2.3
166.07817	1.7
168.05701	2.8
169.06531	1.7
170.07185	1.6
171.08043	7.8
171.11818	1.0
173.09651	1.2
181.06436	1.2
182.07262	6.1
183.08040	9.3
184.08846	2.0
185.06017	2.7
185.09586	9.1
187.07573	3.0
195.08047	4.1
196.08842	2.9
197.09615	11.8
198.06804	2.6
199.07535	71.9
200.08276	9.2
201.09068	8.1
202.17955	1.1
209.09641	3.0
211.07539	9.3
212.08319	19.8
213.09085	39.0
214.09877	6.4
215.10695	6.3
223.07639	1.2
224.08221	1.0
225.09082	43.0
226.09825	5.0
227.07016	16.7
227.10553	8.3
228.07613	1.3
230.37761	1.1
237.09053	1.5
238.09871	1.2
239.07008	4.9
241.08467	2.5
242.09366	100.0
243.10103	28.3
253.08656	1.6
255.10158	43.7
277.00406	1.1
299.10696	1.3
312.11307	1.7
313.12296	3.1
315.10211	1.6
323.10608	2.2
324.11487	1.2
326.12778	1.1
328.10919	2.0
336.11539	1.2
337.12296	2.4
338.12967	1.4
339.12372	4.9
341.11771	4.1
342.12573	2.0
349.12210	2.3
350.12924	1.1
352.10904	2.1
353.11688	5.3
355.13303	6.9
356.14047	1.8
365.11804	2.4
366.12329	1.4
367.13290	3.1
379.13007	1.2
381.14896	2.9
383.12723	2.7
385.14395	1.3
395.12686	2.3
407.16333	1.6
409.14255	1.4
417.15057	1.1
423.16531	5.0
424.16479	1.4
435.16302	2.3
452.16147	18.7
453.16730	11.6
463.15552	11.3
481.16437	67.1
482.16760	2.0
499.17456	17.5
499.24591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05500	3.7
64.94843	0.8
67.05493	1.8
68.78105	0.9
69.03439	6.5
69.62567	1.0
77.36506	0.9
82.04198	3.4
83.04977	13.3
89.06034	2.2
91.05499	2.4
94.33901	0.9
95.04971	2.9
97.02892	3.8
99.39285	1.0
105.07056	4.6
105.18488	0.9
109.02899	3.4
115.05451	2.9
117.07006	2.2
121.06510	2.2
125.67693	1.0
128.06223	5.2
129.07014	2.9
132.05714	4.3
133.06485	2.2
135.04437	6.2
141.07014	1.4
142.07771	3.7
142.61159	1.1
143.08580	2.9
145.06464	7.1
147.04401	2.4
152.06187	1.3
153.06996	2.6
154.07722	1.6
155.08560	2.5
156.09282	1.1
159.04398	1.3
159.08058	4.4
160.05194	4.2
161.05978	7.9
165.06943	1.5
166.07767	1.8
168.05714	2.0
169.06390	1.5
171.08061	6.0
172.08899	1.3
172.54893	1.0
181.06520	2.3
182.07266	4.0
183.08049	10.5
184.08830	2.4
185.09645	7.4
187.07500	2.9
195.08034	4.8
196.08849	4.2
197.09601	10.5
198.06786	2.9
199.07533	66.8
200.08281	9.2
201.09116	5.4
209.09622	3.0
211.07503	7.8
212.08301	18.4
213.09081	35.7
214.09830	5.8
215.10710	4.6
223.07596	1.2
225.09099	44.1
226.09785	3.4
227.07042	14.1
227.10564	6.2
229.08566	1.2
238.09958	2.2
239.07056	3.6
239.10765	2.1
241.08546	4.0
241.12349	1.3
242.09364	100.0
243.10110	22.9
249.09088	1.1
253.08647	1.7
255.10149	45.6
256.10614	1.3
262.09827	1.0
269.11740	1.5
272.08289	1.0
296.11850	1.1
299.10892	1.6
312.11472	1.2
313.12335	2.1
315.10132	1.4
323.10703	2.6
325.12286	2.8
326.12717	1.6
328.11020	1.4
329.98746	1.0
337.12091	1.6
338.13004	1.3
339.12299	5.0
341.11703	2.9
342.12427	1.6
349.12009	1.5
352.10782	2.0
353.11649	4.8
355.13278	4.7
359.12546	1.1
363.13971	1.2
365.11978	1.4
366.12451	2.3
367.13211	1.9
381.10571	1.4
381.14856	1.2
383.12811	2.7
384.13242	2.0
389.13913	6.2
399.16229	1.1
403.15283	1.1
407.16605	1.4
409.13712	1.3
423.16196	2.4
424.16937	1.4
425.17368	1.0
435.15842	1.9
452.16223	13.0
453.16913	11.0
463.15335	7.4
471.17798	1.2
481.16437	66.7
482.16779	4.3
499.17410	14.6
499.24341	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	499.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
54.36953	1.7
62.11973	1.8
69.03423	9.0
70.20641	4.7
73.22639	1.5
79.05478	2.0
82.04202	3.3
83.04981	3.3
88.90634	1.6
91.05474	5.3
95.04955	7.1
97.02873	5.4
98.23401	2.2
105.07024	6.0
105.77590	1.6
107.04941	2.8
109.02876	10.6
115.05430	9.2
117.07011	6.7
121.06472	6.2
128.06207	11.9
129.06973	5.6
132.05704	4.8
133.06487	3.0
135.04385	5.7
136.80910	1.6
141.06955	5.0
142.07773	9.1
143.08536	11.5
145.06499	13.6
147.04440	2.5
153.06963	2.8
155.08582	5.4
156.09334	6.1
157.10117	2.5
158.07254	2.3
159.04384	3.0
159.08057	5.0
160.05215	4.8
161.05997	12.9
165.06958	6.0
166.07820	7.9
167.08575	2.5
168.05688	3.6
169.06485	5.4
170.07253	3.3
171.08038	17.9
171.11679	2.4
172.08757	2.1
173.06001	7.3
175.07533	3.3
181.06535	2.9
181.10136	2.6
182.07240	10.3
183.08073	16.7
184.08839	7.8
185.06026	10.6
185.09595	18.4
187.07523	7.3
194.07205	2.1
195.08080	16.9
196.08836	5.5
197.05956	3.3
197.09579	14.7
198.06763	6.2
199.07542	100.0
199.11122	8.1
200.08276	13.8
201.09058	8.7
209.09599	12.5
211.07521	20.2
212.08319	23.6
213.09099	54.5
214.09830	7.7
215.10619	3.5
219.08037	2.2
223.07573	8.2
224.08348	2.3
225.09102	68.8
226.09793	7.7
227.07104	16.0
227.10641	31.0
229.08527	3.4
232.08951	2.1
235.07530	2.3
237.09094	5.0
238.09901	45.0
239.06992	2.7
241.08611	5.6
242.09369	92.9
243.10020	10.6
247.10944	2.0
249.09018	3.6
251.10645	2.4
251.13664	1.8
253.08659	9.3
255.10149	92.5
256.10663	5.0
265.12225	4.8
281.07739	2.2
287.10489	2.0
293.11630	4.4
296.11987	2.3
299.10684	2.8
312.11539	3.0
314.09085	1.9
315.10141	2.3
321.11102	3.4
327.10114	2.0
337.12244	2.5
339.13058	2.3
341.11859	3.9
353.11548	4.9
355.13220	13.7
356.13712	2.3
367.13321	2.4
383.12851	3.7
384.13370	6.4
385.14063	3.6
402.14493	4.8
452.16068	6.6
453.16867	5.5
463.15161	3.2
471.17914	6.3
481.16461	33.8
499.17386	36.8
503.65765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.7
56.82811	2.2
56.96564	10.1
67.05503	7.1
69.03448	3.1
69.17881	4.5
69.18275	13.1
76.02251	2.5
79.05505	3.3
81.07053	3.9
83.04979	67.8
84.04510	10.4
88.03956	3.9
91.05485	8.7
93.07047	6.5
95.08590	3.3
98.97600	19.4
105.07014	2.7
109.06482	3.5
109.10152	13.5
111.04380	3.2
116.98625	5.8
117.17439	2.3
119.08612	15.8
122.02748	8.3
128.10736	4.5
130.05002	7.4
131.08505	2.8
132.75990	2.5
137.09648	7.9
142.03185	2.7
147.08105	4.3
149.09650	7.4
165.09079	14.8
170.23808	2.5
175.07542	86.3
177.00624	4.4
182.15399	4.5
210.14882	5.1
217.08200	8.3
231.13750	47.1
233.05971	3.1
251.07004	12.3
255.17096	3.3
275.13214	3.0
277.11072	7.9
289.05319	7.3
291.10080	3.1
301.11063	8.1
319.12259	11.1
334.14783	2.8
337.12930	3.7
343.12112	7.2
348.87759	2.8
352.15427	4.1
361.13232	7.7
399.41339	2.6
481.17538	13.2
499.19443	100.0
500.19659	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	499.1946
Annotation	Interiotherin B
Peak:m/z	Relative Intensity
55.05499	7.8
56.96559	7.6
58.99580	3.3
67.05486	3.5
70.50952	5.0
70.51284	4.7
79.75273	2.6
81.07092	3.8
83.04974	48.9
83.05443	4.4
83.08593	3.9
84.04498	13.1
91.05460	5.7
93.07049	6.2
95.04973	5.0
95.08619	4.4
98.97577	18.8
109.10162	8.9
114.66188	2.9
116.98586	7.4
117.07101	3.1
119.08585	13.3
122.02744	9.1
130.05038	4.1
133.06470	6.8
137.09680	5.7
142.03218	5.4
143.08690	2.8
149.09705	3.3
158.99612	4.8
161.06125	3.3
165.09129	15.9
173.05736	6.1
175.07556	68.6
210.14804	3.7
217.08221	6.2
231.13756	41.7
251.07080	9.2
275.13254	7.1
277.11234	8.8
289.05341	29.6
301.11240	5.9
319.12094	15.7
343.12109	4.9
361.13205	11.3
379.14441	3.8
383.17303	3.1
422.29697	3.6
448.79965	3.1
463.16907	4.5
481.17621	13.2
499.12659	5.8
499.19565	100.0
500.20010	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	499.2151
Annotation	Conivaptan
Peak:m/z	Relative Intensity
56.48525	0.5
58.06586	0.5
64.18679	0.4
65.20348	0.5
67.05500	0.6
69.03410	0.7
69.19846	0.5
69.26080	2.5
73.67230	0.5
77.47096	0.4
81.03422	0.6
83.04973	1.4
84.04505	1.1
85.06571	0.6
91.05496	0.5
93.07024	0.5
95.08639	1.3
105.07038	0.5
107.08593	0.9
109.02857	0.5
109.10159	1.4
123.08154	0.6
127.03872	0.6
135.08099	0.6
137.09575	0.6
149.09673	1.2
160.09013	0.5
191.07239	0.5
203.05124	0.5
204.41234	0.5
225.12796	0.6
229.12245	2.6
231.12837	0.5
233.15233	2.9
245.06252	4.2
251.16182	6.5
274.05304	0.5
289.05347	4.3
395.20352	1.6
413.21429	10.3
437.21378	2.2
455.22464	19.8
456.22745	1.2
459.64188	0.6
481.20441	1.0
499.21469	100.0
500.21762	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	499.2682
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
55.05513	1.0
60.69984	0.4
61.02931	0.9
67.05507	1.8
68.05836	0.5
69.03427	3.8
69.07072	0.6
69.97627	0.9
69.97975	0.9
79.05504	1.3
81.03432	1.3
81.07050	2.7
82.07397	0.5
83.04965	2.2
91.03947	0.5
91.05496	1.8
92.05849	0.5
93.07048	1.6
95.04968	1.1
95.08618	1.0
97.02866	0.4
98.16492	0.4
105.07047	2.2
106.07420	0.5
107.08614	1.1
109.06518	0.7
109.10186	0.7
110.73429	0.4
111.04433	4.9
115.86719	0.4
117.07039	1.2
119.08598	1.6
121.06506	0.5
128.52678	0.4
129.07005	0.8
131.08565	3.7
133.10133	0.7
143.08607	0.9
145.10149	2.2
149.09602	0.5
155.08614	1.3
156.09326	0.6
157.10193	1.0
159.11748	0.8
160.15822	0.5
165.09158	0.6
167.08578	0.6
169.10162	0.7
171.11749	0.6
173.13248	5.8
181.10077	0.6
183.11795	0.8
189.12820	1.3
191.14328	0.5
195.11729	0.5
199.11189	0.4
201.12773	1.1
219.13855	1.6
329.17508	0.9
337.26218	0.5
389.19495	8.3
390.20044	0.6
411.17786	0.7
443.24216	2.2
471.27127	0.6
499.26767	100.0
500.27304	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	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70768	3.0
53.03926	9.5
55.01867	6.4
55.05510	31.9
57.03436	28.9
57.07061	9.8
61.02923	59.9
65.03924	3.8
67.05500	91.6
69.03426	38.3
69.07062	35.8
69.17277	6.0
69.17672	19.2
71.01339	7.1
71.04990	5.7
71.08620	3.3
73.02617	2.7
73.02923	30.0
79.05494	37.7
81.03418	18.2
81.07056	98.8
83.04970	7.0
83.08620	17.2
85.02405	4.5
85.02899	60.2
85.06527	4.1
86.09687	9.2
87.04464	4.0
87.10016	3.9
91.03951	45.0
91.05479	26.8
93.07035	30.0
95.04954	9.8
95.08603	77.5
97.02282	3.4
97.02886	50.4
97.06533	4.9
97.10159	10.4
99.04439	11.1
101.02363	10.2
103.03925	9.5
104.10738	22.9
105.07030	24.2
105.11063	5.9
107.08566	17.4
109.02869	13.5
109.10137	24.9
111.04404	4.4
111.08058	7.5
115.03934	6.3
117.07009	5.4
119.08582	18.5
121.10120	20.3
123.11681	13.8
124.99985	5.5
127.00468	3.7
127.03906	24.2
129.05476	5.6
131.08566	8.0
133.10123	10.3
135.11699	11.4
137.09621	3.8
137.13255	8.7
145.04945	10.2
145.10057	5.4
147.08026	5.4
147.11678	5.9
149.13266	8.5
161.13231	10.0
163.14807	5.8
175.14810	9.0
177.16341	3.7
183.06497	4.5
184.07333	13.5
185.07631	6.0
186.07892	4.9
187.14932	3.4
189.16367	3.8
245.22676	8.6
252.40211	3.3
261.22147	3.7
263.23697	17.9
303.23303	6.0
337.27344	100.0
347.25708	3.5
371.25745	6.2
481.31519	6.7
499.26395	3.7
499.32700	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	500.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.02992	0.5
55.05504	1.5
57.03434	0.3
60.78020	0.2
65.03922	0.4
67.05488	0.7
69.03417	0.7
70.06597	2.0
71.05005	0.3
71.43498	0.3
72.08140	1.0
73.02941	0.3
73.06551	0.4
79.05490	2.8
81.03417	2.7
81.07047	2.2
84.04459	0.3
84.08157	0.4
85.02933	0.7
86.09711	0.3
91.05463	0.3
93.07017	0.4
94.04184	0.7
95.01300	0.5
95.04997	1.7
95.05496	0.3
95.05603	0.3
95.06094	2.5
96.05733	1.2
97.07056	0.5
97.07651	7.6
98.06064	0.4
105.04515	0.8
107.04931	0.4
108.05754	0.4
109.02846	0.5
109.06504	2.7
111.08111	0.7
114.10329	0.4
119.08541	0.3
120.08141	0.3
121.02859	0.3
122.03623	1.9
124.05222	2.8
133.10164	0.5
137.02325	1.0
139.07539	5.5
140.04501	0.4
140.08153	0.6
141.01808	0.3
144.04015	0.6
151.03873	1.1
152.04684	8.0
152.07062	0.3
152.08162	3.8
154.06145	0.3
154.09770	1.7
154.24442	0.3
156.04048	3.9
167.07031	3.5
168.04128	0.3
168.07700	1.6
170.09250	0.5
180.07687	0.9
180.11403	0.3
182.09238	3.9
183.07695	0.5
185.08101	1.4
190.09775	2.1
195.06520	100.0
196.06989	2.7
198.08731	16.8
198.10175	0.3
208.10764	0.8
210.08693	1.1
216.09831	1.2
226.11848	0.9
235.16879	0.3
236.17079	0.3
252.09746	0.7
267.08560	0.3
270.10834	7.3
297.17590	0.3
364.14972	0.3
392.14438	2.0
410.15579	5.4
411.15527	0.3
420.17532	0.4
422.15515	0.4
440.25378	2.6
446.15381	0.4
464.16550	0.9
482.17667	12.8
483.18262	0.4
500.18604	3.1
500.26923	1.2
501.19333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
54.87595	0.6
55.01853	0.7
55.05514	1.2
61.62297	0.7
64.56113	0.7
69.03423	3.1
70.18970	1.1
70.19322	1.5
71.04991	12.4
79.05497	1.2
83.04975	2.7
91.05485	2.2
95.04951	1.2
97.02906	0.8
97.57298	0.6
98.22694	0.7
99.04456	11.7
105.07027	2.9
107.04991	0.8
109.02878	5.0
115.05428	3.1
117.06995	2.4
121.06489	2.6
128.06233	5.0
129.07008	3.2
131.08516	0.9
133.06461	1.9
135.04401	2.2
141.07005	1.8
142.07805	3.3
143.08565	4.9
145.06485	8.0
152.06247	0.9
153.06999	1.9
154.07759	1.2
155.05998	0.7
155.08533	2.1
156.09308	2.5
157.10146	1.8
158.07280	1.6
159.04427	1.4
159.08095	4.1
161.05971	8.8
165.06979	2.6
166.07765	2.2
167.08548	1.0
168.05666	1.4
168.09286	0.9
169.06494	3.0
170.07207	1.2
171.08063	6.7
171.11678	1.5
172.08836	0.7
173.06010	3.1
173.09590	1.0
179.08501	0.8
181.06514	0.7
181.10121	1.5
182.07326	3.5
183.08044	10.0
184.08794	4.6
185.06009	2.2
185.09637	9.2
186.06674	1.3
187.07510	2.9
194.07332	0.9
195.08080	3.7
196.08784	1.2
197.05933	1.3
197.09622	6.1
198.06792	2.7
198.10393	1.0
199.07550	17.0
199.11160	5.6
200.08105	1.1
201.09106	7.6
209.09599	5.3
211.07524	11.9
212.08305	10.6
213.09081	11.7
214.09811	0.7
215.10689	6.2
223.07518	1.5
225.09094	20.3
226.09880	6.9
227.07024	2.2
227.10661	14.7
228.07770	1.3
234.96387	0.7
237.09172	1.5
238.09865	13.9
239.07095	2.1
240.07771	1.5
241.08516	1.7
242.09419	5.4
243.10152	24.9
244.10799	1.7
249.09396	0.8
255.10152	100.0
256.10580	2.6
299.10809	1.2
312.11554	0.8
315.10385	1.4
323.13425	0.8
325.12042	1.5
328.10880	0.9
329.11783	0.9
337.12299	1.0
339.13721	1.3
342.12259	1.2
349.12427	1.3
355.13290	2.6
357.14932	1.1
385.14346	5.7
393.14731	1.2
403.15338	9.9
413.14056	0.9
437.17419	1.3
439.92010	0.7
454.17377	1.1
455.18518	0.9
465.16876	9.0
483.17963	32.8
484.18176	2.1
501.19104	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	501.1906
Annotation	Benastatin A
Peak:m/z	Relative Intensity
52.72445	1.1
53.03940	2.1
55.01861	1.8
55.05509	8.1
57.03428	2.2
67.05502	4.2
69.03414	4.2
69.07047	1.8
71.04990	23.8
71.21362	1.7
79.05475	3.9
81.07056	6.4
83.04976	20.7
91.05478	4.3
93.07037	1.9
93.25980	1.3
95.04951	2.0
95.08614	2.3
98.22749	1.6
99.04441	19.7
105.07015	4.5
109.02884	7.3
115.05437	5.6
117.07010	5.5
119.04939	1.7
120.96645	8.9
121.06520	2.7
125.19022	1.2
128.06223	6.0
129.07011	5.1
131.08499	1.5
133.06461	2.0
135.04393	4.2
141.06976	4.7
142.07773	5.3
143.08557	7.9
145.06471	17.8
152.06303	1.4
153.07014	2.2
154.07779	2.5
155.08539	3.2
156.09352	3.5
157.10103	1.8
158.07272	2.9
159.04408	2.2
159.08043	5.8
161.05945	10.4
164.00780	6.6
165.07033	2.1
166.07825	2.5
167.08626	2.4
168.05733	2.4
169.06432	2.8
169.10146	2.6
170.07262	2.7
171.08006	7.0
171.11732	1.7
173.06000	3.6
173.09573	2.8
178.07706	1.9
179.08464	1.8
181.06522	3.3
181.10118	1.6
182.07249	7.6
183.08032	10.0
184.08835	3.8
185.05989	2.7
185.09581	10.5
187.03868	3.6
187.07530	4.4
195.00299	1.7
195.07982	5.9
196.08875	4.0
197.05899	1.9
197.09601	10.3
198.06772	4.1
198.10211	1.3
199.07513	26.8
199.11179	4.2
200.08287	3.1
201.09093	13.6
209.09648	8.6
211.07489	11.3
212.08282	14.3
213.09109	15.9
214.09857	2.1
215.10629	11.5
225.09090	54.7
226.09761	6.4
227.07034	3.8
227.10629	16.4
228.07753	2.6
229.08559	4.8
237.09071	1.9
238.09917	12.0
239.07106	2.6
239.10570	1.9
240.07631	2.4
241.08524	4.0
242.09378	8.8
243.10120	34.5
249.09152	2.2
253.08578	1.8
255.10143	100.0
256.10547	4.3
256.39856	1.3
275.10452	1.3
299.10626	2.1
311.14178	1.7
315.10144	1.5
323.10229	1.7
325.12085	1.6
328.10947	2.7
329.11743	2.3
336.11221	1.6
337.12167	3.5
337.27161	2.3
338.27658	3.9
339.10031	1.8
339.13910	2.1
341.13818	2.4
342.12241	1.8
353.11401	1.9
355.13232	6.5
357.15012	1.8
360.25980	1.5
365.11490	2.4
369.14951	2.7
379.13303	2.4
380.13901	1.6
383.12631	2.2
385.14145	4.5
393.14819	2.2
401.13635	1.4
403.15109	5.7
409.14163	2.0
437.17499	2.6
455.18494	5.6
457.23352	2.9
458.23392	8.7
465.16962	18.2
466.16626	1.4
466.76294	1.4
483.17987	92.7
484.18106	4.7
501.18900	11.0
501.27072	4.8
502.32983	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1908
Annotation	Benastatin A
Peak:m/z	Relative Intensity
53.03942	1.7
54.81551	1.1
55.05518	1.7
56.31453	1.1
66.02580	0.9
69.03422	13.3
70.05783	0.9
78.17787	0.9
79.05475	1.3
83.04976	13.8
91.05498	4.0
91.52998	1.0
91.99828	1.0
97.02901	12.5
105.07026	4.6
108.05642	1.1
109.02901	5.3
109.16277	1.2
115.05419	7.2
117.07030	4.2
119.05004	1.1
121.06493	5.7
128.06236	4.5
129.07040	5.8
131.08578	2.1
132.05751	1.3
133.06512	3.2
134.07281	1.5
135.04434	3.2
141.07013	2.1
142.07806	4.5
143.08565	2.7
145.06474	20.0
146.07169	1.0
147.04424	4.9
147.08009	1.1
152.06175	1.8
152.40700	1.1
153.06964	2.0
154.07773	2.8
155.08614	3.2
157.10106	3.1
158.07268	7.9
159.04436	2.5
159.08022	10.4
160.08846	1.9
161.05971	24.6
162.06361	1.5
165.06935	2.7
166.07796	3.1
168.05658	2.7
169.06429	2.3
171.08046	5.6
173.05991	4.8
173.09599	2.1
174.06752	2.5
175.07565	10.7
178.07811	1.8
181.06503	3.5
182.07320	4.4
183.08055	19.0
184.05161	1.1
184.08794	2.6
185.05992	3.5
185.09601	7.3
186.06761	47.3
187.07558	10.3
188.08386	5.6
195.08035	5.6
197.06091	1.7
197.09607	10.1
198.06836	3.8
198.10417	3.4
199.07544	22.5
199.11278	3.8
201.09137	11.2
202.94061	1.4
209.09593	9.5
211.07533	100.0
212.08270	17.6
213.09100	18.3
213.35701	1.1
215.10683	6.2
223.07535	1.7
225.09099	40.4
226.09871	70.2
227.10622	15.2
229.08650	4.3
231.10204	1.4
237.09126	1.2
239.07137	4.5
239.10686	6.6
241.08653	4.9
243.10121	5.3
244.10945	67.5
245.11720	20.2
249.09094	1.6
253.08630	4.8
255.10419	2.3
257.11703	23.3
271.09695	3.4
275.10635	1.5
283.11298	1.6
286.09958	2.0
288.11548	1.5
297.12997	1.6
299.10751	4.1
301.12161	2.5
305.11761	1.6
312.11578	2.1
313.12262	2.2
315.10397	2.2
317.11856	1.2
325.12311	3.0
328.11121	2.0
329.11771	3.1
336.11462	2.2
337.12268	3.2
339.10199	2.0
339.13968	3.1
341.13950	8.4
342.12543	1.5
343.13501	1.5
349.12479	1.8
350.12881	1.3
351.13889	3.0
353.11813	4.2
354.12485	1.8
355.13419	3.3
356.14151	1.7
357.14865	1.7
365.11646	2.4
367.13181	2.9
368.13892	2.5
369.14911	5.6
379.13361	4.1
383.12646	2.2
385.14432	2.4
386.15039	1.8
387.16028	4.0
393.14865	2.0
397.14349	4.0
405.16876	1.4
419.16360	1.8
425.13602	2.3
427.13501	1.3
436.16873	4.8
437.17456	12.8
438.91644	1.2
447.16336	1.3
453.17093	6.5
454.17786	5.6
455.18588	1.9
465.16986	53.9
466.17319	1.6
483.18018	57.5
484.18375	2.3
501.19061	40.6
502.19299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1904
Annotation	Benastatin A
Peak:m/z	Relative Intensity
69.03424	12.7
70.55933	1.7
70.56242	2.3
75.50156	1.8
83.04983	4.0
91.05488	3.6
94.50252	1.4
97.02892	10.0
105.07021	4.3
109.02871	4.5
114.15400	1.5
115.05440	3.9
117.07014	2.9
121.06509	4.8
128.06252	2.9
129.06960	3.6
133.06471	4.1
135.04407	2.9
142.07750	3.2
143.08521	3.2
145.06487	19.2
146.07256	2.2
147.04370	3.6
155.08549	3.8
158.07260	5.3
159.04413	3.8
159.08052	7.9
160.08855	2.1
161.05959	20.0
165.06984	2.2
168.05701	2.8
169.06528	1.8
170.07233	2.3
171.08058	4.4
173.05991	2.7
173.09563	1.8
174.06856	2.1
175.07559	7.1
181.06442	2.0
182.07286	5.0
183.08037	23.5
184.08762	3.3
185.05946	1.9
185.09575	5.9
186.06740	39.2
187.07549	10.7
188.08279	3.4
195.08034	4.9
197.09528	8.4
198.06764	4.0
198.10428	2.1
199.07520	19.6
199.11072	2.3
201.09126	8.1
209.09622	9.0
211.07515	100.0
212.08313	15.7
213.09129	14.9
215.10655	3.9
225.09056	30.6
226.09845	75.3
227.06987	4.1
227.10593	16.1
229.08484	2.8
237.09151	1.7
239.07018	4.5
239.10666	7.1
241.08617	4.5
243.10100	3.7
244.10936	62.1
245.11635	16.1
253.08562	4.3
257.11649	19.2
263.10541	1.8
299.10715	2.2
301.12311	3.6
313.12128	2.1
317.11874	2.1
323.12930	2.1
325.12131	4.3
329.11642	3.4
336.11292	3.3
337.12262	2.4
339.10153	1.9
339.13965	2.5
341.13882	7.3
343.12915	2.0
351.13986	2.8
353.11737	4.1
355.13110	3.1
357.14801	3.1
368.13864	3.3
369.14951	4.3
374.57892	1.7
379.12866	2.0
383.12726	2.5
386.14954	1.7
397.14185	2.9
419.16055	1.9
436.16620	4.3
437.17270	13.3
453.16788	5.3
454.17563	4.0
465.16943	50.7
466.17053	3.6
483.17972	58.6
484.18762	2.9
501.19055	38.3
502.19421	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	501.1908
Annotation	Benastatin A
Peak:m/z	Relative Intensity
53.03969	2.2
55.05526	1.6
67.05510	1.8
69.03416	4.7
69.59644	3.1
69.60035	3.9
71.04991	19.3
72.31852	1.7
75.02342	1.6
79.05531	2.0
81.03415	2.0
83.04980	8.2
87.60132	1.8
89.06022	1.9
91.05515	2.1
99.04462	18.6
105.07040	4.1
109.02902	8.5
115.05449	3.3
117.07013	2.6
119.82595	1.6
121.06484	2.5
127.00381	1.8
128.06281	5.6
129.06989	4.0
142.07796	3.6
143.08565	5.0
145.06532	12.9
147.04312	2.9
154.07776	1.8
155.08530	1.9
157.10109	3.8
158.07312	2.0
159.04436	2.0
159.08086	5.2
161.05991	10.8
169.06491	1.8
171.08049	7.0
173.05960	3.2
173.09613	2.1
178.07693	1.9
181.06519	4.1
182.07381	4.3
183.08090	10.0
184.08853	6.4
185.09644	10.7
187.07529	5.2
195.08054	3.0
196.08838	2.0
197.09631	7.0
198.06786	3.1
199.07544	25.2
199.11194	6.0
201.09114	9.7
207.40645	2.0
209.09566	5.1
211.07520	9.6
212.08282	17.7
213.09081	12.8
215.10652	8.0
225.09113	49.4
226.09804	4.8
227.07080	3.6
227.10596	9.4
228.07843	2.0
229.08600	3.5
237.09010	3.1
238.09808	12.1
239.06979	1.9
240.07738	2.3
241.08488	2.7
242.09290	10.4
243.10147	26.5
255.10152	100.0
256.10526	3.2
312.11340	2.2
315.10120	3.7
333.17673	2.6
353.11636	2.9
355.13162	5.0
357.14783	3.1
367.13403	2.3
385.14261	5.0
403.15347	2.7
437.17441	3.4
455.18454	5.9
465.16925	10.6
469.16791	2.8
483.18039	72.1
484.18506	4.8
501.19360	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	501.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
66.72639	0.3
67.05514	0.3
70.06594	1.6
81.03164	0.6
81.07060	0.3
97.02859	0.3
102.48634	0.2
109.10173	0.4
120.67358	0.3
127.00048	0.3
127.03701	0.7
137.05942	0.4
149.57263	0.3
155.03151	0.5
163.53821	0.3
169.01126	0.6
183.02693	0.5
199.02068	0.7
201.03694	2.1
202.44064	0.3
215.05312	0.7
225.03688	1.4
238.15514	0.3
243.04742	15.7
244.05208	0.4
252.61156	0.3
255.15749	1.8
259.04239	1.8
283.15286	0.8
287.03729	24.6
287.07181	1.4
288.04074	0.6
297.16693	0.4
329.08377	2.9
373.07416	4.5
415.19116	1.9
423.40018	0.3
457.20435	17.4
458.20685	1.0
500.77582	1.4
501.19388	100.0
501.81479	0.4
502.19681	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	501.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.6
69.07059	4.9
69.28416	12.9
69.28815	5.1
75.34937	2.6
81.07052	5.4
83.08620	5.2
92.95132	3.0
95.08604	4.7
96.90189	2.6
98.23412	7.5
121.47011	3.0
127.61568	2.7
129.03128	2.8
150.95564	100.0
154.94167	3.2
186.96732	7.2
281.22391	3.0
351.21906	2.9
351.28925	13.6
487.21106	4.8
501.23605	50.4
501.32941	11.0
502.23923	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	501.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48492	0.4
72.66998	0.5
76.47309	0.4
91.47958	0.4
98.23436	1.1
131.07649	0.5
185.20798	0.4
304.77380	0.5
330.41312	0.5
331.56271	0.5
377.21552	0.5
445.25635	1.1
501.28189	100.0
502.28583	5.2
519.42535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31186	0.4
55.01869	0.8
55.05506	0.6
57.03426	1.4
67.05493	0.8
68.05022	1.9
69.03414	0.5
69.04534	1.2
69.76376	1.4
70.06577	1.8
71.04970	0.5
72.08142	1.2
79.05477	0.6
80.05000	1.2
81.03417	0.6
81.04539	4.1
81.07040	0.5
82.05315	1.3
82.06570	0.4
83.04990	0.8
83.06091	6.2
84.08137	1.8
85.02887	0.5
86.09700	2.1
91.05475	0.9
93.04528	1.1
93.07025	1.2
94.05308	3.4
95.06084	33.4
95.08595	0.5
96.04492	1.3
104.72931	0.5
105.07022	1.8
106.06554	0.5
107.04960	0.4
107.06096	0.7
107.08586	1.1
108.04461	0.8
109.03982	1.1
109.06433	2.0
109.10175	0.5
110.06014	1.6
110.07158	4.8
112.08720	1.0
113.07093	0.7
117.07026	0.5
119.04904	0.4
119.06133	0.6
119.08575	2.4
120.05571	1.2
121.10121	0.7
122.06210	0.6
122.07152	3.1
123.08009	0.4
124.08710	0.6
129.06938	0.5
129.10262	1.0
131.08568	1.9
133.07597	1.6
133.10127	2.0
134.06021	0.6
134.07076	0.6
135.08043	1.4
136.05057	1.2
137.09575	1.1
142.07770	0.5
143.08537	1.0
145.10110	1.0
146.07143	1.4
147.04384	0.9
147.08057	2.0
147.11676	1.7
148.08713	1.2
149.09586	0.8
156.07632	0.7
156.09335	0.7
157.10150	1.4
158.07190	0.9
159.08000	1.5
159.11684	1.7
160.08690	9.3
161.07014	1.0
161.09595	2.0
161.13187	0.7
162.10275	2.0
163.11220	0.5
169.10106	0.5
171.08127	0.5
171.11707	1.6
172.08649	1.0
173.09529	1.0
173.13162	0.7
174.06624	1.2
174.10312	2.4
175.07390	3.0
175.11150	1.7
176.08176	3.0
177.05511	0.6
177.09013	2.4
178.09747	1.4
181.04929	1.4
183.11717	0.5
184.07362	1.1
185.09599	0.7
185.13249	1.6
186.10310	0.5
187.11050	0.6
188.08174	21.9
189.08948	2.7
189.12749	1.5
190.09734	31.4
191.10368	0.8
191.14301	0.7
197.13058	0.7
198.22969	0.4
199.11176	1.1
199.14793	0.9
201.12700	0.7
202.09740	5.8
202.13452	0.5
203.10690	1.5
203.14297	0.7
204.11345	1.5
209.13319	0.5
212.12050	0.6
213.12741	1.6
214.13385	0.5
215.14439	0.4
216.07794	0.5
216.11197	0.5
217.12198	0.6
227.14275	2.6
230.09232	11.7
230.12877	0.9
232.10727	2.6
233.15221	0.6
234.08701	22.6
235.09198	1.2
245.15381	1.8
248.10257	7.9
263.16412	1.5
265.15933	0.5
266.11395	0.6
270.15866	0.5
272.13937	0.5
276.09781	0.5
284.14249	0.6
285.13904	0.5
296.13995	1.3
298.15262	0.5
301.17810	0.6
314.15042	4.1
341.20786	1.2
346.18939	0.6
350.18594	0.7
352.20145	0.5
360.15671	0.5
364.20071	0.9
384.20587	0.6
392.23590	0.7
394.24707	0.7
402.21719	2.6
420.22803	7.6
422.24298	1.6
438.23904	6.3
440.25259	1.5
448.22299	1.2
456.25153	0.8
466.23328	20.0
467.23547	0.9
484.24374	100.0
485.24771	5.4
502.25418	13.2
503.25992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05520	10.4
57.07103	4.1
60.45040	3.9
64.62431	3.8
65.03944	4.1
67.05504	24.5
69.03435	10.2
69.07067	23.7
69.95893	3.8
70.68323	4.1
75.47537	3.6
79.05499	18.7
80.04917	4.6
81.03444	6.7
81.07056	36.9
85.02895	20.9
86.75010	4.1
87.00823	7.2
91.05485	53.4
93.07036	46.7
95.05018	4.3
95.08582	31.8
97.02901	12.9
103.05400	5.7
105.01885	9.1
105.07021	77.4
107.08597	37.0
109.02864	8.9
109.06506	5.9
109.10154	51.6
115.05432	5.4
117.07011	33.0
119.08582	71.3
121.10147	29.8
123.11686	8.9
127.03905	12.1
130.07787	7.4
131.08559	35.7
133.10129	26.4
135.11734	5.4
143.08546	8.1
145.04968	6.7
145.10121	71.2
147.11694	14.8
151.11205	14.7
159.02867	6.8
159.11690	57.5
161.13226	10.0
173.13278	9.1
176.71072	4.2
201.16399	100.0
203.18005	4.5
219.17415	20.4
231.05002	5.3
242.53320	4.8
244.19447	4.8
264.73529	5.0
304.59338	4.5
494.98065	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.01875	6.1
55.05505	7.9
59.86027	2.7
67.05500	20.0
69.03426	13.8
69.07067	7.7
70.06592	4.2
70.08399	6.8
71.05000	8.1
73.02894	2.9
77.77443	2.8
79.05482	28.7
81.03422	10.6
81.07064	36.3
83.04970	3.7
83.08627	2.8
85.02908	44.3
85.06551	5.3
87.00839	18.8
91.05478	32.5
91.60290	2.8
93.07043	38.2
95.05000	3.2
95.08602	37.7
97.02895	25.1
97.06594	4.5
98.23414	3.3
99.04440	3.9
105.01865	32.4
105.07029	100.0
107.08589	39.4
109.02888	13.1
109.10163	20.6
111.08092	4.6
116.07087	6.1
117.07011	13.8
117.55736	3.1
119.08586	30.4
121.10139	18.0
125.09597	14.5
127.03922	32.7
129.07027	5.7
130.07898	5.8
131.08571	36.4
133.10132	63.0
135.11713	5.2
139.11203	4.3
143.08556	5.0
145.04933	21.8
145.10118	75.5
147.02907	3.8
147.11684	6.1
149.13260	3.8
157.10146	5.0
159.02934	6.5
159.11693	36.5
161.13239	28.9
163.11266	4.4
173.13261	16.3
189.03972	2.7
189.16339	3.1
191.17920	5.7
201.16370	62.3
219.17458	18.2
231.05038	12.0
241.13524	3.5
249.06161	3.0
254.17528	5.3
284.09763	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	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41793	2.2
57.03418	2.2
67.05508	3.9
69.03427	8.1
70.66485	4.1
71.04983	2.8
73.02926	3.3
79.05505	3.3
81.03405	5.2
81.07066	9.9
85.02890	19.1
87.00838	10.4
93.07050	7.7
95.08607	5.1
95.83175	2.2
97.02876	11.2
98.55357	1.9
100.11272	3.4
105.01877	20.2
105.07030	14.6
107.08598	9.8
109.02875	8.0
109.10163	6.2
111.04379	2.2
112.98007	2.1
117.01835	2.0
117.07004	4.5
119.08578	7.0
121.10159	3.6
127.03905	15.0
130.07828	2.8
131.08551	12.3
133.10168	4.9
135.11682	3.1
144.09425	2.7
145.04962	11.5
145.10124	49.0
146.10922	2.1
159.11674	24.7
161.13219	2.1
173.13248	14.9
178.58173	2.0
201.16380	100.0
202.16766	5.6
219.17433	6.8
231.04996	6.2
296.73303	2.3
396.87354	2.1
409.18549	4.1
501.81659	2.6
502.34457	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	502.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
71.04985	10.5
71.18510	3.0
74.86674	2.3
75.72445	3.2
79.05495	14.9
81.07054	6.6
91.05480	28.1
93.07049	9.8
95.08606	6.1
104.06377	2.5
104.72632	2.9
105.07024	61.5
107.08599	10.7
109.10229	3.8
109.66574	2.3
111.36440	2.4
117.07030	6.5
118.07732	4.0
119.08588	9.1
121.10142	7.6
125.09623	15.3
131.08571	12.0
133.10120	100.0
134.10461	3.3
145.10150	9.7
147.11668	8.3
159.11694	11.3
197.69855	2.3
201.16437	8.2
219.17450	8.3
259.79663	3.1
479.33374	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	502.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.2
57.03434	5.4
57.07074	12.1
58.19868	2.1
65.71807	2.2
67.05514	3.9
69.03422	7.5
69.07079	4.8
69.32361	11.8
71.04990	3.5
73.02888	2.7
79.05492	6.2
81.07059	9.5
83.04967	3.6
85.02921	3.8
85.06562	13.9
85.67657	2.4
87.08146	3.1
91.05476	32.3
93.07029	4.0
95.78020	2.3
105.07027	6.8
109.06494	6.2
111.08066	8.3
124.66728	2.5
127.07586	4.8
133.08621	3.9
133.10126	100.0
149.09608	33.4
150.95546	6.4
152.30812	2.5
153.09087	8.1
171.10188	14.9
189.11192	12.3
311.30994	2.6
325.04129	2.5
337.19931	4.2
502.23166	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	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.6
57.91602	11.1
67.05511	81.4
69.07067	27.7
73.02913	28.5
79.05484	40.3
81.07053	100.0
83.08628	12.4
91.05463	23.2
93.07039	63.1
95.08620	61.9
105.07030	20.4
106.10450	9.1
107.08596	45.9
109.10130	19.7
117.07038	13.2
119.08578	24.7
121.10167	24.1
123.11728	14.4
131.08536	21.4
133.10144	21.0
135.11679	28.7
145.10060	11.0
149.13281	24.8
149.71838	10.8
161.13284	13.4
163.14870	19.8
173.13387	14.7
187.14806	13.6
189.24168	10.7
211.94353	12.3
228.23193	41.9
243.21065	18.0
256.26331	40.7
257.26712	15.8
261.22147	85.5
335.25937	24.9
352.46185	13.7
353.26791	13.1
421.26221	11.5
502.28165	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67939	0.3
53.03936	0.9
55.01863	1.4
57.03431	1.6
59.05007	0.4
59.18293	0.3
61.02917	2.7
65.03924	0.4
66.04722	0.5
69.03069	0.4
69.03429	7.7
69.68945	0.8
69.69324	0.7
71.04984	0.6
73.02905	0.8
77.03867	0.4
79.05498	1.7
81.03422	3.1
81.07044	1.1
84.67046	0.3
85.02901	15.4
85.03419	0.8
87.04446	1.1
91.03934	1.0
91.05461	3.0
93.07014	0.4
94.04186	3.9
95.04989	0.7
97.02885	6.0
99.04452	0.6
103.05479	4.0
104.06222	0.6
105.04468	0.4
105.07039	3.5
107.04945	1.5
109.02884	2.0
109.06487	2.3
115.05450	3.4
117.03381	0.5
117.07017	1.5
119.08561	2.0
121.06507	0.5
121.10209	0.4
122.03640	8.5
127.03897	3.1
128.06210	2.9
129.07002	2.0
131.04921	4.0
132.05711	2.6
133.06483	2.2
137.05968	100.0
138.06314	1.4
141.06993	1.4
143.04895	0.7
145.05009	1.7
145.06477	1.2
146.03572	0.8
147.04410	1.1
147.08031	3.2
149.05974	1.7
151.07590	0.5
156.05688	0.7
157.06451	0.8
158.07240	0.4
159.08000	1.7
160.05220	2.1
161.05975	11.3
162.06577	0.4
163.03883	0.5
163.07535	7.0
165.07027	0.5
167.07076	0.5
168.05684	0.4
169.06458	0.6
171.08043	1.3
175.07535	35.9
176.06421	0.3
176.07921	1.2
177.05461	0.4
179.06987	0.7
184.05190	2.2
186.06735	0.5
187.07530	5.9
188.08044	0.5
189.06961	0.9
189.09033	0.7
190.07793	1.7
191.08533	5.4
199.07536	12.9
201.09099	1.2
202.07787	4.3
203.08528	7.9
204.09158	0.9
205.06508	1.1
208.08717	0.8
217.08620	0.6
218.07317	1.5
219.06175	0.3
219.08041	8.1
220.08771	3.0
221.09489	0.7
230.07237	0.9
231.08025	10.3
231.10335	0.5
232.08696	2.8
233.09557	0.5
235.07555	0.8
235.11101	0.8
236.08304	1.7
237.09030	0.6
247.07532	3.6
248.08311	4.4
249.09105	1.8
251.10672	7.4
252.11125	0.6
253.08693	0.5
258.06772	0.7
259.07492	5.7
260.08224	2.3
261.09085	1.3
263.10715	4.4
264.07822	0.7
265.08600	1.0
273.09195	0.5
275.07138	1.0
275.10599	0.4
276.07809	2.3
277.08563	3.9
278.45865	0.3
279.10144	7.7
280.10788	1.4
291.10114	10.6
292.10822	4.2
293.08057	1.5
293.11334	0.5
295.13168	1.7
296.10428	1.1
308.10416	2.1
311.12744	16.7
311.16364	0.8
312.13129	0.8
315.10147	0.4
323.12759	17.7
324.13058	0.9
325.14252	1.5
392.03314	0.4
463.07050	0.4
464.93661	0.4
503.31952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	1.1
57.03437	1.6
58.46693	0.2
59.04996	0.4
61.02920	2.5
65.03936	0.5
66.04723	0.8
67.05510	0.3
69.03426	7.3
70.06610	0.5
71.04981	0.6
71.43495	0.4
73.02917	1.2
77.03926	0.5
77.39922	0.3
79.05510	1.8
81.03408	3.3
81.07063	1.4
83.01340	0.5
83.44416	0.3
85.02900	16.8
85.78239	0.3
87.04443	1.3
89.03938	0.3
91.03948	0.9
91.05458	3.9
91.05883	0.3
92.71462	0.3
93.07047	0.6
94.02927	0.3
94.04198	3.8
95.04970	0.8
97.02885	6.0
99.04445	1.1
103.05456	3.4
104.06246	0.4
105.04505	0.3
105.07023	3.2
107.04928	1.6
109.02868	1.7
109.06516	3.0
109.10106	0.5
111.04340	0.3
115.05452	3.2
116.17543	0.3
116.99779	0.3
117.03359	0.3
117.07025	1.5
119.04963	0.3
119.08595	2.6
121.06511	0.6
121.10121	0.3
122.03647	9.0
122.04520	0.4
123.04442	0.5
127.03912	3.1
127.13889	0.3
128.06207	2.7
129.06981	1.4
131.04926	4.3
132.05701	3.0
133.06464	2.8
135.04396	0.4
137.05965	100.0
138.06303	1.3
141.06960	1.1
143.04929	0.7
144.05627	0.7
145.04955	1.8
145.06497	0.7
146.03589	1.2
147.04395	1.1
147.08014	2.9
149.05995	1.6
151.07495	0.5
155.04895	0.7
155.06012	0.4
156.05684	1.0
157.06499	0.5
159.08028	1.2
160.05180	1.9
161.05974	11.1
162.06531	0.7
163.03912	0.9
163.07527	7.7
164.08220	0.5
165.06941	0.5
165.09129	0.4
167.06953	0.7
168.05687	0.5
169.06483	0.5
171.08040	1.6
172.05275	0.4
175.07530	40.3
176.08020	0.6
177.05429	0.5
177.09114	0.7
179.07001	0.5
179.08655	0.4
181.06454	0.3
184.05229	1.7
185.05859	0.4
186.06801	0.4
187.07530	6.2
188.08176	0.4
189.07016	0.7
189.09056	0.8
190.07777	1.7
191.08542	5.1
192.09094	0.5
193.10083	0.4
199.07529	13.1
201.09035	1.1
202.07761	4.1
203.08536	7.3
204.09169	0.9
205.06436	1.0
205.10255	0.5
208.08821	0.6
215.08588	0.5
218.07262	1.1
219.06046	0.6
219.08049	8.3
219.13742	0.6
220.08786	2.4
230.07292	0.5
231.08025	9.1
232.08682	1.8
233.09566	0.8
235.07564	0.7
235.11171	0.7
236.08334	1.4
237.08980	0.7
246.06902	0.4
247.07558	3.7
248.08305	5.0
249.09030	1.2
251.10675	8.6
252.11293	0.4
253.08694	0.5
258.06799	0.5
259.07516	5.9
260.08292	2.5
261.09042	1.3
263.10696	5.1
264.07739	1.0
264.11203	0.6
265.08456	1.4
275.07007	0.8
276.07806	3.2
277.08603	2.7
279.10126	8.1
280.10770	0.8
281.08109	0.7
281.11520	0.5
289.08832	0.4
291.10126	11.2
292.10880	3.8
293.07996	1.5
293.11288	0.6
295.10049	0.4
295.13184	1.8
296.10471	1.1
308.10526	1.8
309.10950	0.3
311.12741	19.3
312.13135	0.9
323.12756	18.8
324.12784	0.6
325.14398	1.5
341.13876	0.6
503.31992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62644	1.7
64.64214	1.8
67.05480	2.1
69.03431	1.7
69.34100	1.7
83.04971	16.2
83.77919	2.0
95.04984	3.1
95.08631	2.4
95.52466	1.8
98.23528	3.5
101.95807	1.7
105.07051	5.2
109.02873	45.0
115.05418	2.9
117.07033	4.1
121.06491	6.9
128.06200	5.6
133.06445	3.0
135.04388	3.5
140.98390	2.2
142.07925	1.9
143.08578	3.3
145.06467	10.5
159.08060	17.7
160.08835	10.7
161.06017	8.6
162.06599	3.1
171.08026	4.1
173.06055	2.3
175.07520	12.8
177.09000	2.5
182.07254	5.2
183.08003	2.2
187.07541	7.8
188.08321	11.9
189.09024	5.6
195.08061	3.2
196.08922	2.7
197.09612	4.1
198.06738	4.1
199.07521	91.7
200.07976	2.1
201.09081	13.9
209.09647	3.6
211.07567	3.5
212.08305	8.6
213.09053	11.7
225.08990	12.3
227.10818	4.0
229.10229	2.6
241.12186	2.8
243.10197	7.0
255.10075	11.5
261.11343	2.4
273.11285	4.5
275.14331	2.3
283.11176	8.2
286.09943	2.4
303.13791	5.9
305.11728	5.6
307.11276	2.6
311.14120	2.6
314.08951	1.9
316.10938	2.4
319.13376	5.0
320.13934	3.1
323.14139	3.2
325.12219	6.5
329.11624	3.5
336.11426	3.9
339.13849	4.1
349.12286	3.3
350.12991	8.5
353.11713	3.7
365.15421	3.0
368.14087	4.2
411.15887	91.7
412.15982	5.1
413.17093	2.7
429.16931	100.0
430.17352	5.4
453.68506	2.0
467.18454	7.1
485.19644	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	503.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	3.3
65.39589	1.8
69.03415	4.6
71.04630	2.8
71.04989	32.4
71.18597	2.4
75.06468	2.2
75.26238	2.1
75.30896	1.8
83.04958	11.5
89.19061	2.0
91.05491	4.8
99.04442	36.0
105.07019	4.3
105.37654	2.0
109.02896	4.4
115.05405	4.7
117.07002	4.0
121.06513	5.1
128.06194	4.6
129.07005	4.5
131.08574	3.6
135.04434	3.6
136.02135	2.3
141.06927	2.4
142.07750	2.3
143.08539	5.1
145.06476	19.8
145.10101	2.5
147.04419	3.3
153.06917	2.3
155.08470	3.6
156.09395	2.1
158.07350	3.2
159.08061	13.6
160.08832	3.1
161.05978	29.6
165.07027	3.0
166.07793	4.0
167.08589	2.0
169.10127	2.1
171.08061	6.4
172.05138	2.3
173.05994	5.8
173.09570	2.9
175.07538	15.7
179.85960	2.0
181.06389	2.8
181.10081	3.3
182.07269	6.1
183.08008	7.7
184.08789	4.0
185.05963	2.8
185.09618	7.0
186.06750	8.0
187.07558	25.7
188.08253	5.1
195.08046	5.3
196.08778	5.0
197.09595	12.3
199.07535	17.9
199.11229	8.0
200.08357	2.9
201.09081	5.7
209.09598	8.1
211.07515	28.5
211.11200	4.0
212.08296	19.4
213.09056	14.2
215.10599	5.1
224.08374	2.5
225.09105	26.7
226.09903	12.4
227.10654	43.7
229.08475	3.1
239.10608	30.1
241.08572	9.1
243.10129	10.8
244.10945	4.0
245.11746	48.7
255.10149	7.5
257.11716	100.0
258.12088	3.2
313.11981	2.8
329.11359	2.8
331.13132	2.6
336.11115	3.2
343.15805	3.0
351.13809	5.7
359.16516	2.4
367.13217	4.0
369.14798	9.3
387.15891	9.2
405.17087	11.4
449.17374	6.6
455.18442	15.0
467.18481	71.8
468.18762	3.9
476.95627	2.2
485.13144	3.1
485.19653	43.4
486.20096	3.3
503.20844	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
69.03417	5.4
69.20890	4.5
69.21313	6.9
69.27434	1.6
71.04995	32.0
82.85449	1.9
83.04974	7.6
91.05470	9.3
95.05002	2.7
98.02673	1.9
99.04456	33.7
105.07019	7.2
109.02875	4.9
115.05447	7.0
117.07027	2.8
119.04939	2.0
121.06504	8.1
128.06232	5.9
129.07021	4.5
131.08591	6.8
133.06508	3.7
134.32867	1.9
135.04399	4.2
135.08083	3.0
135.65683	1.9
141.06981	3.5
142.07780	6.0
143.08543	5.3
145.06480	25.6
147.04404	3.9
147.08025	3.6
155.08580	2.7
157.10120	3.3
158.07262	5.8
159.04465	2.2
159.08057	20.2
160.08763	4.9
161.05975	34.3
165.06993	3.9
166.07745	2.7
169.06377	2.1
170.07193	2.0
171.08060	12.0
172.08754	2.1
173.05957	8.5
175.07538	19.1
178.07767	4.3
181.06403	4.0
181.10143	2.3
182.07277	5.7
183.08044	14.1
184.08803	5.1
185.05972	2.6
185.09608	8.1
186.06760	10.7
187.07556	37.0
187.11131	2.4
188.08261	7.8
193.10004	2.5
195.08032	6.2
196.08916	9.6
197.09590	9.3
198.06744	5.9
199.07539	26.5
199.11218	10.1
200.08279	2.8
201.09068	8.2
209.09587	8.2
211.07535	43.7
211.11133	5.5
212.08246	26.0
213.09067	19.1
214.09795	1.9
215.10703	8.1
223.07579	2.2
224.08267	5.1
225.09111	31.9
226.09869	14.1
227.10648	38.5
229.12270	4.7
239.10651	33.1
241.08540	6.8
243.10080	5.5
244.10857	4.3
245.11714	46.4
249.08997	2.1
255.10054	5.6
257.11725	100.0
258.12222	2.8
259.09769	1.9
299.10632	5.1
313.12024	3.1
315.10513	2.2
329.11652	2.4
341.15350	2.9
343.15500	4.4
351.13611	3.9
355.13342	3.0
359.16409	2.3
367.13239	5.1
369.14761	7.1
382.15326	2.2
387.15875	5.9
405.17081	9.0
411.16312	1.9
423.15857	3.2
449.17154	9.0
455.18640	8.2
467.18533	61.4
468.18814	3.9
485.13058	3.5
485.19559	43.9
503.20679	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	503.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05507	2.5
56.47195	1.5
60.19278	1.5
67.05466	1.5
70.06586	1.7
72.63634	1.5
79.05484	1.6
83.04987	14.0
84.55518	1.3
87.72357	1.4
91.05471	2.7
102.48515	1.5
105.07013	3.2
109.02870	41.7
109.10126	2.1
115.05409	3.1
117.07034	1.9
121.06516	4.1
128.06241	4.4
129.07001	2.0
131.08566	2.2
133.06479	2.4
133.75682	1.5
135.04378	2.5
141.01880	1.4
143.08510	2.8
145.06476	5.5
147.04407	2.4
159.04440	1.7
159.08020	16.2
160.08847	5.8
161.06001	6.1
169.06483	1.6
171.08075	2.1
175.07553	8.4
182.07312	1.7
185.09735	1.8
187.07538	7.1
188.08299	11.2
189.09105	3.0
195.08096	2.4
196.08861	2.6
197.09680	2.9
199.05655	3.7
199.07526	68.1
200.08069	3.3
201.09113	9.6
209.09624	3.3
212.08307	5.5
213.09183	8.3
225.07234	1.7
225.09088	9.4
226.09778	2.5
241.08665	3.4
243.10208	5.7
255.10051	9.2
257.11731	1.9
266.39920	1.5
273.11197	4.9
275.10648	2.4
283.11154	6.8
288.11499	2.5
299.06219	2.3
303.13782	5.1
305.11655	4.3
307.11142	3.1
311.10434	1.9
316.10791	2.2
319.13129	4.6
320.13922	2.8
325.12167	4.5
329.11810	3.4
336.11624	2.5
339.13562	2.9
340.14191	2.4
350.12927	6.8
353.11835	2.4
365.15356	3.5
368.13553	3.2
383.16504	2.5
411.15872	72.0
412.16241	3.3
413.17426	3.1
429.16949	100.0
430.17398	5.5
467.18253	2.1
485.19424	5.0
503.20203	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16368	0.3
62.09156	0.3
69.03414	0.6
70.67744	0.7
77.17294	0.3
84.76517	0.4
85.02898	0.5
100.56570	0.4
127.03716	0.7
167.10512	0.5
185.04192	0.5
219.58009	0.4
227.05223	0.8
245.06253	0.4
255.15680	3.4
271.04074	0.8
283.15155	1.1
289.05356	0.5
311.14816	0.4
329.15649	3.5
355.17209	1.3
371.16776	5.6
399.15854	3.0
411.29617	0.6
415.15561	0.7
417.20993	7.4
441.20886	0.6
459.21982	27.1
460.22040	1.4
503.20724	100.0
504.21161	4.9
528.24518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05508	16.9
67.05498	0.4
69.41840	0.2
69.52518	1.0
71.08619	0.5
79.05484	0.2
79.64391	0.3
83.04975	100.0
84.05314	0.7
85.10177	0.5
89.06014	1.4
91.05457	0.4
93.07045	0.4
98.22681	0.5
105.07037	1.0
119.08604	0.4
121.06490	1.0
131.08571	0.4
133.08614	1.0
135.08064	1.0
145.06461	0.4
147.08047	0.7
149.05965	0.7
161.09622	2.3
165.09143	0.5
177.11214	0.3
177.67499	0.2
180.08606	0.2
185.09666	0.4
199.07562	0.6
201.09142	0.6
209.05867	0.3
213.09138	0.3
225.12743	0.4
227.14215	0.3
237.31364	0.3
241.11989	0.3
246.12485	0.4
255.13867	0.9
266.60220	0.3
273.11157	0.6
281.11661	2.3
291.22760	0.2
293.15295	1.8
298.63226	0.3
315.85519	0.2
359.20596	0.4
375.19589	0.8
403.19058	0.9
503.33298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2475
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.23165	0.8
55.05488	1.1
59.83979	1.0
69.03429	1.2
69.07047	1.0
69.76460	2.7
70.06596	1.5
79.05478	1.3
81.07071	3.9
86.41783	0.8
91.05808	1.3
93.07065	1.2
95.08596	1.3
103.05467	1.0
105.07049	2.0
107.08624	1.5
109.10140	1.2
119.08594	2.5
127.03987	0.9
131.04907	1.5
133.10103	1.7
135.11705	2.3
135.66946	0.9
145.10123	1.0
154.68550	0.8
155.60249	0.9
180.28009	1.0
202.16678	1.1
203.17903	1.5
221.19121	1.5
222.19183	0.9
262.00049	0.8
299.06219	1.8
311.48251	0.8
341.19513	1.4
371.16718	1.6
457.22464	0.9
459.21939	4.4
471.22147	1.4
503.24936	100.0
504.25378	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	503.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48655	2.1
53.56800	3.3
55.01870	4.6
55.05505	9.3
57.03421	2.9
57.07074	4.1
61.49272	2.3
67.05504	21.5
69.07076	13.0
71.04978	2.1
71.08620	5.3
71.43095	2.3
71.43465	2.2
79.05482	9.6
81.07051	23.3
83.04966	4.0
83.08609	5.1
89.16595	2.5
91.05467	4.6
93.07031	16.4
95.04957	2.6
95.08594	16.0
97.06530	3.6
98.98466	91.2
99.08103	4.2
105.07008	14.3
107.04967	2.6
107.08579	16.5
109.06513	12.1
109.10152	10.6
111.08146	4.5
113.00006	5.1
117.07035	2.7
119.08560	12.2
121.10135	9.2
122.07233	2.4
123.08067	33.0
123.11701	3.2
131.08511	3.5
133.10136	8.7
135.08035	23.6
135.11664	2.8
137.09642	3.3
143.44865	2.7
145.10144	4.7
147.11687	6.6
149.09526	5.0
149.13260	3.6
159.11693	6.8
161.09700	3.0
161.13301	3.0
167.05544	2.3
169.10132	2.4
173.02122	14.4
175.14850	4.6
177.12747	8.9
179.14308	48.4
205.15941	4.1
235.12987	2.7
275.20029	8.1
289.21689	5.5
303.26788	7.6
331.26294	100.0
331.30301	5.0
332.26645	5.1
344.97528	2.8
349.27386	14.6
387.28760	2.9
405.30008	50.7
475.12234	2.4
503.29428	50.6
504.30081	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2982
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
55.05503	1.2
57.03436	1.1
60.82658	0.4
61.69132	0.4
67.05499	3.6
69.07069	1.8
69.64525	1.5
71.08640	0.6
76.68024	0.4
79.05492	1.8
81.07048	3.7
83.08165	0.4
83.08633	0.9
91.05486	0.9
93.07047	2.4
93.52757	0.4
95.04927	0.4
95.08604	2.7
98.23516	0.4
98.98464	8.7
105.07046	1.4
107.08591	2.2
109.06508	1.9
109.10153	1.1
116.99496	0.5
119.08602	1.5
121.06502	0.6
121.10137	1.1
123.08054	4.0
131.04913	0.6
131.08565	0.9
133.10159	1.4
135.08049	1.9
145.10146	0.8
147.11678	0.7
149.09563	0.8
149.13188	0.8
159.11699	0.9
163.06178	0.4
167.05592	0.7
170.00938	0.4
173.02165	1.9
175.14799	0.6
177.12764	0.5
179.14302	4.8
191.14439	0.4
235.12991	4.2
269.17566	1.4
275.20230	1.2
291.15628	4.0
299.06250	0.6
303.26813	1.3
331.26282	10.4
344.97824	0.6
349.27295	2.1
387.28748	0.6
392.61859	0.5
405.29980	5.2
503.29739	100.0
504.30106	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	504.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.5
55.65631	1.5
71.21638	1.6
80.58381	1.1
83.04975	100.0
84.05319	1.2
91.05456	1.7
91.79703	1.3
92.04234	1.5
92.58271	1.3
95.08532	1.5
98.93378	1.4
100.62665	1.4
105.07053	2.4
113.53997	1.3
120.18105	1.4
121.06504	3.4
135.04395	7.8
145.06454	1.9
147.04446	2.4
159.08092	1.7
161.05962	2.0
171.08067	2.0
173.06003	2.2
183.11655	1.9
187.07401	1.5
192.09303	3.0
199.07565	1.7
199.11188	5.2
201.09093	3.1
209.09660	1.8
222.10390	1.6
223.11182	4.4
227.10518	4.4
241.29387	1.3
244.10751	1.5
251.10637	10.4
275.10730	1.8
279.10080	4.6
287.10425	2.1
303.10147	5.9
331.16785	4.5
341.15118	2.1
359.16403	34.4
369.14780	13.1
387.15833	32.2
468.18271	2.1
486.19461	3.4
504.20245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.6
57.03434	7.4
57.07048	5.2
57.33333	3.6
63.57012	2.5
65.03943	4.8
67.05485	13.8
69.01962	2.9
69.03423	21.6
69.07055	14.2
69.30721	12.4
73.89409	2.8
76.80219	3.0
79.05485	21.3
79.05885	3.0
81.03443	3.6
81.07046	43.0
83.04969	18.3
83.08604	10.2
85.02891	7.2
85.06528	6.5
87.04450	4.2
91.05444	14.4
92.64703	3.2
93.07055	25.5
95.04968	20.2
95.08589	18.5
97.02889	54.8
97.06528	25.6
99.04441	8.2
101.02361	11.6
105.01829	2.9
105.07021	30.3
107.08598	48.4
109.06512	57.7
109.10148	55.7
111.08088	10.4
115.03902	4.2
119.03400	26.4
119.08567	20.7
121.10138	48.7
123.08031	14.4
123.11710	18.2
125.02331	23.4
125.09614	10.1
126.20438	3.1
127.03921	5.1
131.08548	18.0
132.23082	2.8
133.10118	60.6
135.08076	14.3
135.11641	3.1
137.13196	5.2
139.11212	5.7
143.03383	13.6
143.08519	5.0
145.10150	9.7
147.11623	17.3
149.13271	23.8
151.11150	20.0
153.08182	3.0
153.09122	33.2
158.10881	6.3
161.04445	12.2
161.13268	4.7
163.03864	13.2
163.14818	13.9
165.12794	4.9
167.14285	12.7
173.13277	44.0
175.14772	3.5
181.04915	10.9
181.15907	6.5
185.41809	3.0
190.13390	3.0
191.14305	51.5
203.17909	10.5
209.15352	100.0
210.15652	4.1
223.01186	3.3
227.16359	4.3
243.05008	10.3
261.06079	7.7
262.14090	3.4
277.55112	3.0
285.70065	3.2
504.19760	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.9
55.05494	15.7
57.03408	4.7
67.05500	28.4
68.63462	4.9
69.03432	4.3
69.07049	21.3
69.66135	10.2
69.66520	10.9
70.06577	5.9
79.05481	20.4
81.03420	6.2
81.07054	58.8
83.08605	9.8
85.02898	10.9
91.05444	34.0
93.07037	100.0
95.04954	11.2
95.08598	53.5
97.02882	6.4
97.10136	4.9
98.23483	6.1
101.17858	4.6
105.04480	6.1
105.07024	43.4
107.08587	50.0
109.02917	5.1
109.10143	57.0
111.08097	25.5
119.08579	42.1
121.10141	20.7
123.11685	13.4
127.03837	5.7
131.23146	5.0
133.10103	30.8
135.11693	45.7
145.04980	7.8
147.11674	47.8
161.13222	15.5
163.03886	9.9
163.14867	5.9
165.12770	7.3
173.39059	4.1
181.04939	7.3
189.25940	4.9
203.17946	65.9
221.18964	11.8
504.29294	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.4
63.80462	14.0
67.05484	32.0
69.03407	19.7
69.07053	18.2
69.32797	76.7
71.19481	11.9
75.20557	12.2
81.07048	75.8
83.08590	14.8
85.02887	27.3
87.00817	14.8
91.05465	22.4
93.07014	85.5
95.08598	52.7
97.02883	19.9
98.22763	29.8
99.04460	16.8
101.33516	12.7
105.01818	32.4
105.07032	79.7
105.43191	13.2
107.08582	49.7
109.10147	91.9
119.08561	48.9
121.10116	37.6
123.11747	15.5
125.09641	16.1
127.03877	27.2
133.10138	36.6
135.11653	33.5
145.05016	20.0
147.11662	38.3
203.17935	100.0
475.37051	13.9
501.53409	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62955	2.8
53.03957	5.4
57.03438	4.7
58.88071	2.6
59.81846	2.4
67.05504	7.9
69.03417	15.6
69.07065	5.2
69.59366	3.0
71.42661	3.6
73.02946	3.2
76.66308	2.9
79.05478	6.4
81.03413	10.3
81.07055	32.8
85.02905	45.9
87.00842	20.2
91.05480	7.1
93.07039	7.6
95.08601	24.2
97.02901	30.8
99.04463	7.0
105.01868	47.1
105.07034	30.4
107.08604	13.1
109.02889	13.3
109.10163	19.2
119.08569	38.2
121.10162	4.8
123.11790	3.0
127.03895	40.4
129.01900	3.6
133.10110	23.6
135.11720	5.2
145.04953	28.1
147.11681	26.5
149.13287	3.2
157.10089	3.2
159.02936	7.5
161.13272	15.5
163.14844	10.8
174.55275	2.9
199.19334	3.4
203.17952	100.0
204.18369	3.7
217.15979	3.7
220.11784	2.8
221.19005	10.6
231.05023	16.2
240.83527	3.4
249.06107	9.6
271.17139	3.9
294.98206	3.0
322.67502	3.1
375.18530	4.0
411.19968	5.4
461.21646	5.8
505.20294	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	505.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07861	0.9
51.80360	0.8
55.01857	1.0
56.96561	18.7
56.96835	1.0
69.51543	1.8
69.51926	2.4
75.04832	0.8
79.05489	1.0
84.96029	12.8
85.02902	1.7
86.09746	0.9
91.05482	5.1
92.81766	0.9
93.07047	4.1
95.04961	2.9
97.96826	1.5
98.97575	100.0
99.05589	2.4
102.97071	1.3
103.05465	1.5
110.97559	16.7
116.98613	55.8
119.04994	1.0
121.06499	7.8
121.73842	0.9
127.03917	1.6
128.98589	22.7
128.99496	1.4
131.04970	2.4
134.99635	18.7
138.97029	1.3
140.98569	1.5
143.00182	4.9
146.99623	7.3
149.05972	24.5
152.98546	1.2
153.00728	1.6
156.98073	4.2
158.99644	51.8
161.01274	4.6
162.99141	1.1
163.06180	1.0
167.07094	1.9
170.99660	4.4
174.99156	7.9
177.00705	66.8
179.00131	5.7
179.03802	1.5
180.00945	2.3
181.01753	2.9
182.99721	1.4
183.03290	1.9
185.01320	1.1
189.00706	2.6
193.01735	2.1
195.01747	3.3
195.03322	3.6
197.01167	10.2
197.04901	1.4
198.01994	4.0
199.02818	2.3
200.02347	1.7
201.00758	2.1
205.01735	9.5
206.99507	1.1
207.03336	2.0
211.02780	3.7
213.00856	0.9
213.04306	3.1
215.02199	1.2
219.01736	45.2
221.01245	2.3
222.01920	0.9
223.02768	29.5
225.04378	2.4
235.02861	1.9
237.02766	28.0
239.02254	3.9
241.03815	25.5
242.03856	1.2
247.02824	11.9
249.04292	1.6
250.11153	0.9
259.04846	4.2
260.04419	1.5
261.02832	2.6
264.05508	0.9
265.03812	41.1
267.05127	0.9
273.02682	5.8
277.02356	1.0
279.03842	44.7
283.04889	21.1
289.03717	1.6
295.03470	1.0
297.04782	5.3
301.02219	8.8
301.05157	0.9
306.06509	1.1
307.04861	19.4
319.03601	3.9
323.04279	2.5
325.05960	13.1
343.07059	1.6
344.09402	1.6
367.06937	13.4
385.08072	16.8
403.09097	7.2
427.09082	46.3
428.09158	1.5
445.10126	32.1
446.10538	1.2
449.54050	1.0
463.10892	1.9
505.12311	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	505.168
Annotation	Sergeolide
Peak:m/z	Relative Intensity
51.01331	0.6
71.18394	1.1
81.03384	0.7
81.07034	1.3
83.04974	1.4
85.02895	1.5
95.08588	1.0
95.39586	0.7
103.52912	0.6
105.07051	1.1
119.08614	0.8
127.03923	1.0
133.07393	0.6
173.05804	1.9
187.59802	0.8
197.09621	1.1
199.11235	2.0
201.09215	0.6
203.17906	1.1
213.09062	0.8
227.05231	0.8
239.10416	1.6
243.10324	1.6
257.07953	1.8
257.11505	14.9
258.11594	0.9
285.10974	2.5
289.05313	3.4
293.08438	0.7
300.10547	2.2
333.11435	0.7
334.11719	0.9
419.16754	10.1
443.16931	1.0
461.17792	42.4
462.17929	2.1
487.15833	1.8
505.16727	100.0
506.17075	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	505.1761
Annotation	Raffinose
Peak:m/z	Relative Intensity
53.39038	3.2
55.96195	3.1
57.03442	5.4
61.02922	43.6
69.03429	8.0
70.53248	3.3
71.22486	3.0
72.08171	5.7
73.02919	19.7
81.03400	7.5
85.02902	100.0
85.03416	4.9
91.03951	60.3
97.02893	30.8
99.04455	3.6
109.02884	6.3
112.27461	3.6
127.03903	34.3
145.04962	50.0
163.06007	70.7
169.21339	3.1
181.04942	4.1
227.96579	3.3
267.49292	4.2
271.08221	3.6
445.05859	3.7
528.34534	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	505.176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	52.8
64.96235	3.6
69.03428	13.4
73.02911	18.6
81.03400	5.1
85.02899	100.0
91.03946	63.4
97.02884	35.8
127.03905	38.2
145.04936	52.8
163.05994	83.2
219.48782	3.8
222.98578	5.0
228.91162	3.8
283.00629	4.8
343.02399	4.2
375.68372	4.3
415.97412	4.2
431.65829	3.9
445.05582	6.8
456.21375	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	505.2044
Annotation	Anthothecanolide
Peak:m/z	Relative Intensity
51.16295	1.1
53.33443	1.1
54.52907	1.2
63.24122	1.0
66.42949	1.0
67.05505	1.6
74.53453	1.1
89.67934	1.0
91.05429	1.1
105.07020	1.9
119.08609	1.3
203.05290	2.8
224.06126	1.1
227.05309	1.6
233.68399	1.0
239.14130	2.5
243.04793	4.2
245.06267	9.4
257.15195	4.4
269.33865	1.0
271.04282	2.1
287.03729	24.5
289.05276	70.5
414.70648	1.2
419.20517	5.4
461.21487	29.7
462.21716	1.4
505.20428	100.0
505.36197	5.4
506.20648	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	505.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.05128	0.8
55.05507	9.1
57.03426	1.9
67.05490	1.8
68.19372	0.7
75.04459	2.9
79.05508	0.8
81.07057	1.0
83.04975	54.2
84.05318	0.7
89.03915	0.6
91.05482	1.2
95.08613	2.2
105.07005	2.1
109.10140	1.3
115.05463	2.2
117.03375	2.2
117.07021	1.5
119.08543	0.9
128.06239	3.6
131.08607	1.1
133.06450	0.8
133.10170	0.7
135.04465	1.0
143.08516	1.2
145.02827	5.5
145.06459	3.6
145.10080	1.5
145.62729	0.7
158.07222	0.9
159.04387	1.3
159.08076	3.4
160.08807	2.9
161.05937	4.4
168.05629	0.7
171.08038	4.6
173.05945	1.6
173.09647	2.1
173.11722	0.9
175.07530	1.5
177.05461	10.1
181.06580	0.9
182.07278	2.7
183.08115	1.4
186.06728	3.3
187.07521	2.0
188.08369	4.7
189.09087	35.7
197.09550	3.7
199.07585	4.5
199.11156	1.5
201.09093	100.0
202.09492	1.8
211.07501	0.8
215.07028	1.2
215.10622	1.2
225.09087	5.4
226.09612	1.0
227.10745	1.0
239.10590	1.6
245.11725	1.3
271.13284	5.0
275.12735	3.0
289.12225	0.9
331.13245	5.3
349.14230	3.3
351.29013	1.4
357.10754	0.8
375.55243	0.7
380.13913	0.9
385.17764	1.1
413.17432	32.2
414.17780	1.6
431.18491	13.3
469.19537	1.0
487.20758	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	505.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.6
64.89973	0.8
67.05518	1.0
69.22107	5.3
75.04478	3.1
83.04976	63.1
84.05337	0.9
91.05449	1.4
95.44354	0.9
105.07043	2.6
115.05424	2.4
117.07023	2.4
127.43732	0.9
128.06215	4.4
129.07019	1.3
131.08517	0.9
135.04425	1.1
143.08582	2.3
145.06470	6.1
145.10170	1.6
157.10110	0.9
158.07237	1.4
159.04457	1.5
159.08104	5.1
160.08855	2.9
161.05981	8.8
171.08066	5.4
173.06006	2.8
173.09593	2.2
175.07443	2.0
182.07253	5.0
183.08060	1.6
184.08798	1.3
186.06770	2.8
187.07559	3.0
188.08302	4.7
189.09094	53.3
190.09453	0.9
193.05042	1.6
196.08879	1.5
197.09602	6.5
199.07533	8.9
199.11217	2.2
201.09096	100.0
202.09444	2.4
212.08275	1.9
213.09045	1.8
215.10707	1.8
225.09077	11.8
226.09868	1.2
227.10658	2.1
229.12392	1.8
239.10747	3.7
245.11850	1.6
247.13332	3.6
257.11823	2.4
259.13348	4.3
271.13315	6.3
289.12128	1.8
313.12152	1.2
331.13269	10.4
337.01050	1.0
349.14359	4.9
366.60526	0.9
385.18155	2.2
395.16409	1.9
413.17453	63.5
414.17810	2.6
431.18527	13.0
469.20096	3.2
487.20966	6.3
504.36560	1.5
505.22229	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13394	8.7
69.01596	9.1
69.80933	20.4
69.81292	22.8
79.05496	20.0
79.35258	9.8
81.07064	100.0
85.02906	17.6
93.07051	25.7
95.08572	17.1
97.76601	9.7
98.22794	15.0
105.07030	24.4
107.08607	41.4
109.10146	20.9
119.08614	34.1
127.11246	12.4
127.63550	11.3
133.10133	26.0
135.11694	78.7
136.12064	12.9
140.67885	11.5
143.10663	11.9
147.11668	17.0
203.17976	24.2
221.18980	39.4
222.19366	16.6
238.99689	9.6
277.71729	12.0
284.71747	10.1
433.56540	11.8
461.23413	13.0
477.45758	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	505.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
53.55606	2.5
55.01868	10.2
55.05510	12.2
57.03436	7.7
57.07069	5.3
61.02939	2.9
65.03947	3.5
65.13923	2.7
67.05499	25.6
68.99789	5.3
69.03426	33.0
69.07068	8.8
70.06596	2.5
70.48103	3.7
71.05000	4.0
73.02924	4.5
79.05489	23.6
81.03416	32.5
81.07050	67.2
83.04980	8.4
83.08622	4.4
85.02902	44.4
86.09681	3.5
87.00822	24.3
91.05467	19.6
93.07038	32.3
95.04970	10.4
95.08601	53.4
97.02881	15.0
97.06509	12.2
97.10152	5.7
98.23348	2.4
99.04458	10.0
99.77671	2.2
103.03949	9.8
103.05454	3.5
105.01834	12.0
105.07019	40.1
107.04977	4.8
107.08578	33.3
109.02876	20.1
109.06519	8.8
109.10149	32.7
111.04463	5.5
115.03913	6.3
117.01859	4.0
117.07020	10.3
119.08570	57.2
120.08132	3.1
121.06519	6.9
121.10139	27.1
123.04449	4.0
123.08053	7.3
123.11694	35.2
125.02464	2.5
125.05995	4.7
127.03902	18.1
128.06223	3.6
129.01849	5.5
129.07005	6.8
131.08557	22.4
133.10139	29.5
134.10370	2.5
135.08049	5.4
135.11700	18.1
137.05997	10.7
137.09648	3.0
137.13257	3.7
139.07545	7.8
141.80640	2.1
142.07742	2.6
143.08566	17.4
144.09329	4.4
145.04953	7.2
145.10120	39.2
145.11234	3.5
147.02905	5.4
147.08089	4.4
147.11670	37.6
149.09650	4.0
149.13257	15.5
151.03856	2.7
151.07558	3.2
155.08534	5.4
156.09326	4.8
157.10103	22.6
158.10921	2.6
159.02953	10.7
159.11684	44.2
161.09604	3.7
161.13235	46.6
161.14497	2.9
163.03963	5.8
163.07507	4.5
163.11159	3.6
163.14842	8.5
165.09061	2.6
169.10156	4.5
171.11674	19.2
173.13245	50.8
175.14832	20.2
181.05040	7.7
181.10062	3.4
183.11722	9.0
185.04546	2.9
185.13220	15.5
187.14801	36.3
187.16321	3.3
189.03880	11.9
189.16470	7.0
197.13295	6.3
199.14828	14.9
201.04079	2.4
201.16341	16.7
203.17961	3.7
209.13237	4.4
211.14806	6.1
213.16446	9.9
215.17921	5.3
217.19597	4.3
219.05128	3.4
223.14830	4.0
225.16455	4.2
227.14529	3.2
227.17908	15.0
229.19472	18.3
231.05058	4.0
237.16759	2.6
241.19379	12.3
243.21033	14.6
255.21104	16.2
257.22668	8.2
267.21143	9.6
269.22733	8.1
281.22626	6.4
286.01950	2.4
288.15079	2.5
347.23730	5.2
365.24820	6.2
383.25845	5.3
389.35043	2.3
396.28238	2.5
419.27954	7.5
423.20181	6.2
451.24814	2.9
461.28897	6.0
469.26065	6.9
487.26697	11.8
505.20999	4.7
505.27975	100.0
506.28461	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03939	2.2
53.95760	0.6
54.85418	0.6
55.01872	1.2
55.05505	18.7
57.03432	10.8
57.07063	4.9
59.04992	3.5
65.03938	2.2
66.39517	0.6
67.05499	100.0
69.03435	0.6
69.07058	12.4
69.75465	1.3
69.75817	1.3
71.04977	3.8
71.08630	2.0
79.05482	24.2
81.03415	1.5
81.07049	33.2
83.04974	1.4
83.08608	14.2
85.06534	3.0
85.10174	0.8
91.05472	35.0
93.07036	28.7
95.04951	4.2
95.08596	16.5
97.06504	1.5
97.10162	6.8
99.08072	0.8
103.05436	0.8
105.04521	1.0
105.07020	31.7
107.08583	14.5
107.09254	1.1
109.10146	66.7
109.90746	0.6
110.10508	0.8
111.08078	4.0
111.11690	1.0
113.09582	0.6
115.05470	1.4
117.07001	8.2
119.08568	31.0
121.10138	12.1
123.11732	1.6
125.09620	3.7
128.06187	1.0
129.06979	4.8
131.08546	11.4
133.10117	21.5
134.10597	0.8
135.08141	0.8
135.11673	10.0
137.09618	4.0
143.08577	4.1
145.10114	9.5
147.11670	23.9
148.12041	0.9
149.09700	1.1
149.13228	6.1
155.10623	4.5
157.10126	4.2
159.11688	9.7
161.13237	15.8
163.11238	0.7
163.14853	2.5
169.10109	0.9
171.11664	6.4
173.11755	19.3
173.13264	5.5
175.14796	7.4
176.99220	4.3
177.12854	1.0
185.13243	5.5
187.14819	2.2
189.11275	2.8
195.00282	44.4
199.14876	2.6
213.16377	1.6
215.17938	1.2
217.15948	0.7
227.12724	5.0
229.14325	42.9
230.14685	0.8
231.17490	1.2
231.21056	4.9
241.19484	16.9
242.19847	0.7
243.21198	1.0
259.20551	44.0
260.20926	1.2
261.22189	2.5
277.21600	1.3
289.21713	0.9
297.99875	0.9
306.47556	0.7
311.25757	8.6
315.23099	3.1
333.24207	21.4
334.24615	1.2
351.25366	2.2
375.24908	1.0
395.29498	1.1
413.20581	1.8
413.30405	2.2
487.24414	1.3
487.34094	7.0
505.25342	13.0
505.35300	6.2
506.25876	0.8
506.35638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48778	1.2
55.01862	1.5
67.05502	1.2
68.88300	1.1
80.37716	0.9
82.45335	1.1
84.04512	5.5
86.14509	1.2
91.05496	3.1
98.23425	3.2
107.08633	1.0
114.10263	1.2
119.04924	3.3
120.08138	1.9
127.40167	1.0
137.05949	14.9
145.06461	2.1
147.04425	2.6
149.05963	1.4
150.06770	1.8
161.05879	1.4
173.05968	2.6
175.03831	1.6
177.06992	1.9
179.08243	1.2
186.03021	5.6
194.07240	2.3
201.05429	14.6
205.06488	10.5
206.07164	1.2
213.05643	1.5
219.08105	1.1
220.05357	1.0
221.05913	2.3
222.06682	6.4
233.06000	12.9
234.06659	5.8
237.09024	8.0
239.07065	1.3
239.10294	3.4
245.06169	1.4
247.07489	2.0
249.05513	2.8
249.09038	2.9
250.06219	9.5
251.06981	2.3
261.05386	2.7
262.06332	3.7
263.07126	1.6
264.07840	3.9
265.08545	22.1
266.09183	1.4
267.06540	1.9
277.08664	3.9
278.05655	4.2
279.10266	2.6
282.08871	1.8
290.05707	4.9
292.07266	12.2
293.08075	18.7
294.08807	2.2
297.11218	3.4
305.07941	6.2
307.09616	25.8
308.09875	1.6
310.08420	2.8
325.10654	100.0
326.11041	2.5
337.10672	12.4
461.30869	2.2
506.21634	1.4
515.11694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
57.03437	11.1
61.02925	6.4
64.32902	3.0
67.05490	4.0
69.03422	68.6
69.03795	4.1
69.64573	6.0
69.64938	11.2
70.06555	3.5
71.95326	2.9
72.62213	3.1
73.02896	6.4
79.05486	4.8
81.03417	20.6
81.75093	2.9
82.27169	3.3
83.04987	7.1
84.08125	4.4
85.02897	78.8
86.09703	5.2
87.00820	27.2
87.04471	17.1
91.05468	100.0
92.91453	3.1
97.02885	68.1
98.22692	3.9
99.04453	11.3
105.01862	39.3
109.02868	27.2
111.04421	6.0
115.03924	22.3
127.03905	45.2
133.04955	18.5
139.03880	3.9
145.04939	19.4
145.06548	4.0
146.84996	3.6
150.07570	18.8
159.02885	5.0
181.04904	16.6
182.05338	5.0
189.03949	6.0
199.07460	3.5
205.04974	4.0
231.05016	13.7
241.06918	8.8
249.06113	6.1
255.33559	3.2
327.07025	7.3
345.08139	8.7
388.59161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97872	0.3
56.91059	0.3
57.03433	0.8
61.02914	1.5
62.81842	0.3
65.03938	0.5
69.03426	2.2
70.55043	0.5
76.13004	0.3
81.03404	0.9
85.02902	11.6
90.63715	0.3
91.03954	0.8
91.05479	6.5
93.52902	0.4
97.02891	2.8
99.04453	0.5
109.02882	0.8
113.60410	0.4
119.04942	18.6
120.05210	0.4
123.04417	0.8
127.03931	2.6
135.28787	0.3
140.04756	0.3
145.04958	3.8
146.29553	0.4
147.04404	100.0
148.04720	2.3
163.03914	0.9
163.06017	1.1
165.05473	48.2
166.05861	0.5
180.08684	1.5
181.04958	2.8
182.05289	1.9
208.35381	0.3
233.63991	0.3
309.09668	0.4
344.13550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
54.75552	1.5
55.01868	2.2
55.05511	14.0
57.03431	11.8
57.07069	8.0
59.04983	2.7
60.27727	1.6
65.03936	2.7
67.05504	12.3
68.99810	2.2
69.03422	19.9
69.07052	9.0
70.06577	2.9
71.04985	7.2
72.08150	15.7
77.03907	1.8
79.05489	12.8
81.03421	15.3
81.07053	35.0
83.04985	14.4
83.08617	10.4
85.02902	24.5
85.06539	5.3
86.09715	3.8
87.00830	3.2
87.04446	4.5
91.05486	12.7
93.07037	19.4
95.04955	22.4
95.08604	12.3
97.02883	22.9
97.06528	16.3
99.04452	14.5
99.08112	2.0
101.02383	44.4
105.07024	24.7
107.08595	30.6
109.02871	20.4
109.06516	37.9
109.10149	53.7
111.08078	5.5
113.06006	1.8
114.10262	2.7
115.07586	4.0
117.07020	2.2
119.03411	93.7
119.04932	4.8
119.08566	14.9
120.08086	22.9
121.10137	36.1
123.08053	10.0
123.11681	13.9
125.09611	5.9
127.03915	26.7
129.07031	1.7
131.03369	4.0
131.08549	17.2
132.10207	2.0
133.10118	67.7
135.08023	10.3
135.11694	3.6
137.09644	1.9
137.13306	2.6
139.11201	4.2
143.08513	2.7
143.11781	3.3
144.09375	1.5
145.04970	11.2
145.10103	8.5
147.04410	15.8
147.11655	15.9
148.23341	1.4
149.09607	2.5
149.13240	17.9
149.14334	2.6
151.07570	1.4
151.11156	15.8
153.09096	25.3
157.10214	1.7
158.10905	4.3
163.14812	7.9
165.12756	8.9
167.14337	15.3
171.11317	3.2
173.04460	9.9
173.13245	34.9
175.14847	6.6
177.10260	3.7
181.04918	12.5
181.15869	2.4
191.14287	41.5
192.14612	1.5
193.15878	2.1
205.09653	3.1
207.13940	1.5
209.15352	100.0
210.15585	2.5
227.05553	4.3
227.16371	14.8
228.13376	2.4
245.06613	11.3
255.44632	1.4
263.07568	2.7
279.17007	2.4
309.09836	1.4
324.90823	1.5
347.20697	3.7
375.20496	2.1
453.20984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12684	1.9
53.03944	6.2
53.19134	1.8
54.56649	1.8
55.05513	17.2
57.03431	13.6
57.07069	5.8
59.05005	3.3
67.05502	14.2
67.23834	1.7
68.99779	3.8
69.03420	25.3
69.07049	14.4
69.66855	8.1
70.06604	2.7
71.04994	8.3
72.08147	13.6
79.05482	19.7
81.03411	25.1
81.07053	35.6
83.04974	18.1
83.08611	13.8
85.02898	27.5
85.06535	7.3
86.09716	5.2
87.00843	2.5
87.04469	5.2
91.05463	15.6
93.07052	22.6
95.04960	37.2
95.08588	13.4
97.02888	23.6
97.06522	18.1
97.10150	2.1
99.04457	15.4
99.08099	2.2
101.02368	57.6
101.02996	3.8
105.07032	26.3
107.08581	40.2
107.09260	3.1
109.02865	23.8
109.06506	47.8
109.10143	52.2
111.08076	7.3
115.07539	4.8
117.07063	2.4
119.03403	100.0
119.04819	4.7
119.08570	21.5
120.08088	20.0
121.10127	39.9
121.71909	1.8
123.08072	9.7
123.11709	15.9
125.09648	8.4
127.03910	30.1
131.03404	6.9
131.08554	20.8
133.10118	74.9
135.08049	8.2
135.11729	6.8
137.13210	3.2
139.11179	6.9
143.08556	3.7
143.11827	2.2
145.04976	10.5
145.10120	8.4
147.04456	12.6
147.05420	2.7
147.11656	17.2
149.13245	20.9
151.11119	16.0
153.09093	20.4
158.10904	8.5
163.14876	11.1
165.12721	8.8
167.14307	16.4
171.11409	2.2
173.04446	10.3
173.13252	43.5
175.14838	8.9
177.10237	3.6
181.04970	7.3
191.14267	46.0
209.15353	96.9
210.15796	2.0
227.16414	13.6
228.13492	2.1
245.06619	7.4
248.83209	3.0
263.07721	2.7
323.07874	2.1
327.64670	2.0
347.20850	2.6
352.85739	2.2
363.10852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.3
64.23066	2.8
66.40598	2.6
67.05507	10.4
69.03416	5.7
69.07063	5.3
69.83933	5.7
69.84322	6.1
70.64149	2.5
72.08147	21.4
79.05476	7.7
79.35527	2.6
81.03429	6.5
81.07034	24.3
82.06566	3.1
83.08601	4.1
84.08141	5.5
85.02893	10.7
87.00822	7.4
91.05464	5.4
93.07037	25.5
95.04942	3.4
95.08606	17.6
95.89754	2.8
96.04501	7.3
97.02882	12.7
97.10169	3.4
98.23462	5.0
99.41389	2.5
105.01868	8.4
105.07018	5.5
107.08588	20.7
108.04487	4.7
109.02834	3.3
109.06488	3.1
109.10133	19.0
121.10113	10.0
122.06072	4.2
122.09669	9.9
123.08096	3.2
123.11687	50.6
127.03892	10.8
133.10085	4.6
135.11659	27.6
145.04936	6.4
145.10150	3.7
147.11705	5.7
149.13249	92.2
150.09126	70.1
161.13228	6.2
164.10696	4.7
168.10240	16.3
173.13148	3.9
192.10205	5.4
196.09665	43.7
205.19511	100.0
210.11269	4.7
215.13881	2.5
231.04980	6.8
249.06056	4.1
263.11606	3.5
265.13403	3.1
284.09711	8.3
317.28864	3.2
322.10934	2.9
381.26852	2.7
382.23605	11.9
383.15738	4.9
385.17459	4.5
400.24890	26.9
428.24261	12.2
446.25406	14.4
460.26703	8.3
506.28415	6.8
507.21854	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	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
57.03430	0.4
57.05797	0.5
57.07067	0.7
58.06594	4.7
67.05487	1.4
69.07065	1.2
79.05470	0.9
81.07056	1.1
82.06570	3.2
83.04978	2.4
83.07357	12.8
83.08618	0.8
84.05305	0.7
88.07638	2.8
91.05503	0.4
93.07034	0.6
94.98869	0.4
95.08579	0.9
97.10182	0.5
98.09687	92.7
98.23494	1.0
98.98438	0.9
99.09973	0.9
105.07060	0.4
105.13593	0.3
107.08586	0.5
116.10724	100.0
117.11051	1.3
121.10094	0.4
129.90805	0.4
163.00479	0.4
196.07330	52.6
197.07706	0.7
229.13875	0.4
270.11124	0.4
311.25864	1.5
335.25769	1.7
337.27386	0.7
368.71533	0.4
405.50729	0.4
488.31332	5.7
506.32407	14.8
507.18829	1.0
507.32709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.05020	0.5
58.06591	0.5
60.07870	0.5
60.08159	6.9
67.05500	1.1
69.07060	0.7
71.07368	3.5
79.25594	0.3
81.07047	0.7
86.09701	32.8
91.05490	0.7
93.07041	0.3
95.08595	0.6
98.98457	3.6
103.42664	0.3
104.10741	3.0
105.07079	0.4
109.10139	0.6
124.99995	22.3
184.07330	100.0
185.07674	0.9
242.00854	0.4
297.99860	2.4
316.00842	0.9
334.01965	0.4
366.15900	0.3
402.06119	0.8
420.06982	0.6
422.21118	0.4
488.31427	0.9
506.12088	0.5
506.32068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1497
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
53.03935	1.3
54.09333	0.8
60.31203	1.0
61.46020	1.1
65.03931	1.9
68.34139	1.0
68.99783	2.5
69.03412	4.3
69.49388	4.4
70.06586	1.9
77.23666	0.9
79.05480	3.6
81.03391	3.0
84.08137	1.1
85.02890	3.6
89.03896	7.4
91.05474	9.6
93.03410	1.2
95.04959	3.7
97.02895	6.8
98.13860	1.1
98.22755	2.1
99.04459	1.1
107.04927	5.5
109.02873	1.3
109.06480	1.7
111.04438	4.2
117.03370	7.5
119.04932	2.8
120.08124	1.7
121.06496	9.0
123.04445	5.6
125.05126	1.5
125.05984	26.9
133.02792	1.4
135.04411	19.1
137.05997	6.7
139.03883	6.2
145.02831	12.4
149.05959	3.7
151.03906	8.2
152.04665	19.6
153.05460	39.0
163.03894	100.0
165.05464	7.4
167.07028	74.8
168.07367	1.6
177.05380	1.3
181.04974	3.0
183.06520	47.7
213.09129	1.1
259.09637	2.4
261.38617	1.2
314.78741	1.3
325.09109	5.5
507.14420	1.7
507.31915	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	507.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36150	0.3
55.01869	0.8
55.05506	0.5
56.05022	0.6
58.99574	0.5
63.84821	0.3
66.82969	0.3
67.05492	1.2
68.05025	0.5
76.02218	0.4
79.05483	1.1
83.04976	0.8
84.04491	9.3
84.04996	0.5
88.02205	2.4
88.04007	0.4
91.05472	5.7
93.07050	0.5
93.72482	0.3
95.04959	13.8
95.40410	0.3
98.23509	0.6
104.06227	0.6
105.00068	0.5
105.07027	2.5
107.04940	1.4
109.02866	17.6
109.06478	0.5
110.04632	0.3
111.04436	3.5
114.05544	0.4
117.07011	2.8
119.08566	26.1
119.87920	0.4
121.06501	0.9
122.02708	2.3
123.08070	0.6
125.06010	0.8
125.07065	0.5
129.06996	1.8
130.04990	2.4
132.05695	1.6
133.06456	0.6
134.02736	0.6
135.08017	1.9
137.06003	0.5
142.03172	0.5
145.06477	1.3
145.62294	0.4
147.08029	49.8
148.08415	1.0
149.05916	0.4
151.03902	0.7
154.07790	0.4
158.07326	0.5
159.08057	0.6
164.02887	3.0
165.03641	1.0
169.10217	0.7
171.07799	0.8
172.08809	1.5
173.09491	0.8
175.07523	13.9
179.05229	8.5
179.08566	0.5
180.32286	0.3
182.07292	0.6
183.08055	0.4
186.02202	0.5
186.10327	1.1
187.11113	0.9
188.03796	0.8
196.08827	0.7
197.09648	1.9
199.07394	1.0
201.12703	1.1
211.07465	0.4
211.11128	0.7
214.09866	0.9
215.10645	5.3
215.38174	0.3
217.08197	0.9
225.09041	0.3
226.09799	2.1
227.07030	1.3
229.12221	9.9
233.05904	1.1
234.04263	1.1
239.10625	0.9
242.09294	3.5
243.10178	0.7
251.06953	4.5
257.11694	100.0
258.12106	3.0
287.03717	0.7
289.05273	5.4
289.08905	7.6
378.13925	0.9
463.22507	0.4
489.16592	0.8
507.17023	1.0
507.21909	1.5
518.11078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87447	0.3
59.93191	0.3
69.03400	0.4
81.03401	0.5
85.02889	0.5
91.05466	0.7
93.07010	0.5
95.04977	0.5
98.09677	0.6
105.06976	0.7
107.08571	0.8
116.10697	0.6
117.07033	0.5
119.08491	0.3
121.06411	0.5
135.07205	0.5
135.08052	5.9
167.03032	0.4
181.10161	0.4
185.04138	0.6
203.05185	1.2
227.05142	0.6
241.12128	6.3
245.06317	5.5
259.09570	1.7
259.12979	5.3
259.15842	0.6
271.04242	0.7
281.11502	0.4
289.05270	8.6
290.05539	0.4
335.11670	0.5
361.03287	0.5
421.18085	6.0
445.17902	0.5
463.19003	25.4
464.19360	1.5
507.18030	100.0
508.18301	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	507.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25889	0.4
54.72334	0.6
55.64478	0.4
62.54535	0.4
69.27454	3.0
76.70963	0.5
76.98547	0.5
83.04943	0.6
84.08094	0.5
91.05428	0.8
91.74198	0.4
98.09632	1.3
112.07484	0.6
116.10709	0.6
121.06515	0.7
127.03900	0.5
129.07021	0.5
135.08046	4.6
147.94672	0.5
157.06250	0.6
198.10292	0.6
203.05199	1.8
213.09096	0.6
227.05226	1.3
241.08302	0.6
241.12094	6.8
245.06300	8.1
259.03857	0.5
259.09500	0.9
259.12939	6.3
271.04153	1.0
289.02203	0.5
289.05283	9.1
421.17947	5.9
459.21103	0.5
463.19006	24.2
464.19208	0.7
507.17953	100.0
508.18161	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	507.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10189	0.8
50.28228	0.9
55.79469	0.9
69.03426	1.5
70.76496	1.5
70.76841	1.3
81.03419	2.5
83.04971	1.3
89.03921	8.9
91.05462	2.1
93.07047	1.0
95.04993	1.6
97.02880	3.0
109.06482	1.0
117.03374	23.3
119.08540	1.3
121.06483	1.2
123.25239	0.9
129.07010	1.9
134.03610	2.7
135.04413	2.5
137.05992	2.2
145.02844	59.0
149.05977	8.2
150.06731	1.4
151.07559	2.1
161.05981	1.1
163.04007	1.5
163.07623	1.7
165.09155	1.9
175.03860	0.9
175.07552	2.8
177.05464	100.0
178.05798	2.6
179.07060	3.7
181.08632	1.2
183.08128	1.4
189.09070	1.2
193.08578	1.4
195.06488	1.6
201.56964	1.0
217.08662	1.2
226.09808	5.2
229.99310	1.2
231.10126	1.4
241.12225	2.0
243.10074	1.3
257.11743	13.0
259.09705	4.1
259.13217	1.5
264.95892	1.0
266.97678	1.1
277.10815	3.0
283.60928	1.0
327.52600	1.1
339.10739	4.0
514.58252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46675	0.2
67.05495	0.3
71.44204	0.2
71.89266	0.2
79.05508	0.3
81.07043	0.4
91.05498	0.5
93.07047	0.4
95.04945	0.2
95.08604	0.6
105.07021	1.0
107.08603	0.3
117.07056	0.2
119.08588	0.5
121.10168	0.3
127.00130	0.2
144.64697	0.2
145.10129	0.6
147.11697	0.6
159.11723	0.5
173.13345	0.2
175.04524	0.2
185.04274	0.8
203.05241	0.5
213.09097	0.5
227.05231	3.1
229.03270	0.3
241.08609	1.1
245.06294	4.3
259.09607	1.4
259.16678	4.1
271.04184	0.9
287.03690	0.3
287.16153	0.3
289.05298	3.9
301.17773	0.5
403.20700	0.8
421.21924	7.8
422.22098	0.3
427.20923	0.3
445.21927	2.4
463.22974	21.1
464.23254	0.7
489.20877	1.3
507.21997	100.0
508.22278	4.5
525.32111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96639	1.6
61.01542	1.5
70.30867	1.5
70.61028	2.4
79.05501	1.9
91.05484	2.4
93.07019	2.9
105.07024	3.5
133.10123	1.9
203.05264	2.0
243.04726	2.8
245.06248	8.1
259.16708	3.5
287.03693	12.4
289.05273	84.2
302.89050	1.7
463.22974	25.0
463.29013	3.0
464.22977	1.7
507.22012	100.0
508.22440	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	507.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.84311	0.7
65.81275	0.7
67.05503	1.3
69.07064	2.0
70.06551	0.7
79.05508	1.1
79.33511	0.8
83.08628	0.8
85.06535	7.2
91.05489	2.7
93.85091	0.7
95.04902	1.3
95.65325	0.8
98.23438	2.7
100.11275	1.8
105.07011	1.5
107.08602	1.6
128.07106	1.0
143.88062	0.7
168.13881	3.6
176.89372	0.9
176.90970	0.8
196.13350	2.4
198.52652	0.8
203.05272	2.5
210.14847	1.9
223.29274	0.8
227.05290	1.1
243.04556	0.9
245.06326	9.8
259.16779	1.5
271.04181	1.6
287.03790	5.8
289.05295	100.0
290.05731	1.8
312.26523	2.4
422.30057	1.8
423.16266	1.3
463.23035	21.0
489.20996	8.1
507.22025	62.8
507.38910	2.5
508.22604	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	507.2205
Annotation	Repandin D
Peak:m/z	Relative Intensity
50.31149	1.0
56.91101	0.9
67.05522	1.2
69.03429	1.2
70.03942	1.6
70.04293	2.3
78.32172	1.2
79.05527	1.3
81.03407	1.5
81.07066	1.4
83.05009	2.5
84.48977	1.1
85.02921	3.6
85.92825	1.1
93.07048	1.7
95.05001	1.1
96.45044	1.0
105.07130	1.4
109.02842	1.5
119.08601	1.1
119.74034	1.0
120.76600	1.0
121.02866	1.6
127.03964	1.6
145.10103	1.8
149.06049	1.4
159.11740	1.3
161.05956	1.2
177.05519	2.9
185.04433	1.2
201.16367	1.2
203.05327	2.6
213.09315	1.4
227.05336	1.6
230.77852	1.1
245.06232	6.0
259.09555	1.5
259.16745	1.9
289.05286	50.9
463.23193	11.3
489.21222	7.6
507.22134	100.0
508.22385	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	507.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98251	6.6
67.05496	0.9
68.19959	0.5
69.07047	0.6
70.87157	0.8
81.07047	0.8
102.10179	0.5
113.00028	0.6
124.93760	31.4
143.42322	0.6
156.96368	50.2
161.06067	0.9
191.00809	0.9
198.97476	0.7
212.98959	5.4
332.66302	0.5
339.22638	1.3
351.28860	2.4
471.21671	1.5
475.21957	10.5
476.22794	0.6
507.24530	100.0
508.24963	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	507.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01920	1.3
55.05511	10.3
55.97889	1.3
57.03435	5.2
57.07042	1.5
60.05626	3.1
62.06082	5.5
65.03933	2.2
67.05505	23.9
69.07070	7.4
71.04969	1.6
76.52356	1.4
79.05492	15.9
81.07053	23.6
83.04997	6.9
83.07366	2.9
83.08624	5.3
86.09703	1.8
91.05473	10.2
93.07047	20.2
94.07351	1.2
95.04965	3.5
95.08605	21.4
95.09157	2.6
98.09696	15.6
98.22656	4.3
98.98463	36.4
99.10025	3.9
105.07003	7.7
107.08588	12.8
109.10163	7.1
116.10720	17.4
117.07033	3.4
117.11073	4.3
119.08582	7.1
121.10137	9.9
123.11731	3.8
131.08566	4.6
133.10112	6.0
135.11719	4.8
137.13379	1.6
142.51759	1.4
145.10120	3.8
147.11713	3.7
149.13281	2.8
155.01047	10.7
159.11678	3.6
161.13225	2.9
163.14929	1.8
172.93825	1.9
173.02078	5.0
173.13229	2.3
179.88918	1.3
184.07352	6.5
196.07368	9.0
243.21159	4.7
247.05788	1.5
261.22137	8.5
317.24850	5.4
335.25797	54.4
336.26215	2.1
345.42465	1.3
471.25247	2.8
507.18805	100.0
507.32162	3.5
508.19141	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.59284	2.2
52.96532	2.2
53.03938	2.7
55.01873	2.2
55.05510	10.6
56.05819	2.4
57.03429	9.7
65.03933	2.0
67.05505	45.4
69.07066	8.4
69.27049	7.6
69.27467	5.4
72.08142	2.6
75.04559	2.1
77.31418	2.3
79.05490	22.4
79.37386	2.1
81.07060	43.7
83.08625	4.7
91.05479	14.1
93.07033	21.4
95.04978	3.4
95.08610	30.4
97.06524	2.2
98.22703	5.0
98.97827	4.8
98.98466	75.1
105.07056	11.1
107.08594	15.3
109.06494	2.0
109.10138	13.8
117.07043	3.9
119.08590	6.6
121.10165	13.7
123.11732	3.6
131.08582	6.1
133.10159	6.9
135.11703	8.5
145.10187	3.6
147.11652	2.9
149.13219	3.4
155.01013	6.7
159.11711	4.2
165.94701	2.1
173.02092	13.2
173.13263	2.8
243.21126	3.7
261.22168	6.5
293.99051	2.2
297.99973	3.3
317.24792	3.3
335.25790	100.0
374.43393	2.5
387.93613	2.8
403.06271	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90672	2.3
55.05512	13.2
56.24770	2.6
57.03423	7.9
67.05502	40.2
67.43234	2.7
69.01039	2.2
69.07055	9.1
69.75793	8.6
79.05479	20.7
80.52499	2.6
81.07054	43.3
83.08629	5.1
86.09668	4.4
91.05485	11.3
93.07038	22.6
95.08591	31.5
98.97827	4.5
98.98466	70.4
105.06991	6.3
107.08571	15.7
109.10153	13.0
117.86926	2.4
119.08577	6.9
121.10146	11.8
131.08580	5.8
133.10132	5.0
135.11678	6.7
147.11688	3.9
149.13260	3.3
155.01033	5.7
161.13284	3.3
171.52129	2.6
173.02029	13.8
173.13254	3.8
184.07367	13.9
201.92210	3.0
211.03712	2.6
234.01582	2.4
243.21062	6.1
247.05844	2.7
261.22165	5.6
305.96866	2.4
335.25772	100.0
336.26077	4.3
530.11530	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29159	0.7
55.21788	0.8
60.05289	0.7
61.02907	1.0
69.03413	2.9
70.06583	1.5
72.08121	0.7
72.60000	0.8
81.03403	1.8
84.08118	1.3
85.02900	9.6
92.43949	0.8
95.04994	1.0
97.02892	3.3
99.91267	0.7
102.25661	0.8
103.05465	30.6
107.04954	8.2
109.02831	1.0
118.22042	0.8
120.08092	1.8
127.03886	2.6
131.04922	63.8
140.17003	0.8
145.04950	3.6
149.05971	100.0
150.06323	1.6
151.07571	1.1
176.43335	0.9
181.04970	0.9
190.08565	1.4
225.14899	1.0
293.10205	0.9
297.18912	0.9
311.11218	4.1
508.20428	2.5
508.27734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69462	0.7
55.02995	4.5
55.05509	3.3
57.58174	0.6
60.05630	3.5
65.03930	5.9
67.05496	2.2
69.04517	0.7
70.06579	2.4
71.04991	0.9
71.44534	0.7
72.05640	2.5
72.08145	36.8
73.06528	1.1
77.53241	0.7
79.05482	1.0
82.04198	2.2
85.02899	3.1
86.07202	3.6
86.09681	0.8
91.05481	2.6
91.43386	0.7
93.03425	1.7
93.07121	0.6
95.04947	1.0
97.02912	1.1
97.06545	1.2
97.07639	20.2
100.08724	7.9
105.07035	0.7
107.13607	0.7
110.03675	2.9
111.04441	1.1
111.09202	1.8
114.10279	39.0
119.04939	2.7
125.05986	2.4
130.09772	4.6
132.11334	3.0
134.03630	1.6
135.04408	1.6
137.02275	1.0
137.05949	3.9
137.95433	0.6
138.03094	1.3
139.03883	0.6
147.04387	3.9
147.11746	0.7
149.05977	1.4
151.03961	1.1
153.05467	4.6
162.06744	1.1
166.38699	0.6
171.06506	5.3
179.03297	3.3
179.07086	0.7
181.04938	87.0
182.05377	1.6
197.04489	2.2
218.50392	0.7
222.04037	0.9
261.08826	1.0
265.11819	1.5
265.14313	2.9
280.12961	1.7
282.14511	1.5
286.82751	0.9
292.12881	3.8
293.11218	2.3
293.13986	3.7
296.12534	1.9
310.13947	7.8
311.14706	35.0
312.15442	4.3
329.10043	6.4
392.35373	0.7
410.75122	0.7
460.20642	6.8
461.20624	0.7
508.22882	100.0
509.23315	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	508.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.8
60.29774	4.9
67.05487	7.1
69.03409	14.6
69.07062	6.3
69.12318	26.3
79.05483	11.4
81.07044	18.4
83.04975	13.1
83.08629	5.5
85.02866	6.3
91.05499	7.1
93.07037	16.5
95.04948	17.9
95.08631	10.9
97.02883	40.2
97.06542	16.1
98.23485	12.9
105.07040	14.3
106.19273	4.7
107.08600	35.4
109.06506	19.3
109.10133	22.7
111.08110	7.0
119.08607	6.0
121.10145	20.9
123.11684	10.4
125.02399	7.3
131.08549	14.0
132.63586	5.3
133.10112	53.2
135.08049	6.9
139.11176	7.8
145.10071	7.2
147.11700	11.1
149.13237	10.6
151.11169	5.6
153.09103	6.7
163.14874	8.4
167.14322	15.3
173.13284	33.5
175.14772	7.6
177.05469	7.6
191.14331	44.9
209.15350	100.0
227.16542	7.4
309.54123	5.1
472.45432	6.4
490.15994	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	508.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.03443	0.4
57.07066	0.9
58.06586	2.3
58.06858	0.2
60.08167	0.9
62.06081	2.0
67.05501	0.4
68.05054	0.2
69.07073	0.3
69.93327	0.3
69.93712	0.3
71.07366	0.3
71.08631	0.4
76.03535	0.2
81.07056	0.4
82.06570	1.7
83.07355	6.6
85.10171	0.3
86.09699	2.6
95.08621	0.4
96.08116	0.1
98.09684	83.8
98.23371	0.2
98.98480	0.3
99.10019	0.8
99.70858	0.1
100.81092	0.2
104.10731	2.6
109.10187	0.2
113.00050	0.2
116.10717	3.4
125.00004	1.4
180.31422	0.2
181.92000	0.2
184.07321	5.9
196.07323	100.0
197.07622	0.8
202.21611	0.2
231.04721	0.1
235.45998	0.2
313.27081	0.2
330.24908	0.2
335.25784	0.4
337.27338	0.2
351.76889	0.2
490.32935	1.1
508.19327	1.7
508.34045	2.7
509.18195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15495	0.2
55.05497	0.5
55.84367	0.2
57.03429	0.2
57.07075	1.1
57.72878	0.2
58.06593	4.3
60.43624	0.2
67.05500	0.6
69.07072	0.5
69.19904	1.5
71.08631	1.0
77.95165	0.2
80.36146	0.2
81.07027	0.4
82.06570	2.6
82.32708	0.2
83.07360	11.4
84.22608	0.2
85.10170	0.5
85.66459	0.2
86.09696	0.7
88.07630	2.0
89.29305	0.2
95.08590	0.7
98.09689	85.2
98.23434	0.5
99.10021	0.7
100.97989	0.2
104.10728	1.4
116.10725	100.0
117.11056	0.9
131.13045	0.2
184.07306	1.0
196.07333	54.4
197.07784	0.5
224.72731	0.3
270.11011	0.7
313.27267	1.2
337.27350	0.5
449.49454	0.2
490.32904	5.2
491.32803	0.3
503.52948	0.2
508.33984	19.7
509.34171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	32.1
57.03440	11.1
57.07071	23.4
58.11968	8.1
67.05497	43.0
67.14032	8.3
69.07060	45.7
79.05481	20.0
81.03371	9.6
81.07043	68.3
83.08609	25.0
86.09702	22.4
93.07036	37.9
95.08611	52.4
97.10159	25.7
98.09723	42.7
99.22517	8.0
104.10738	38.9
107.08614	24.6
109.10143	24.5
121.10157	43.8
123.11703	13.7
124.99998	10.9
135.11664	32.7
137.13231	12.4
147.73035	9.9
149.13234	24.3
174.74258	7.9
184.07370	51.1
196.07335	32.6
219.21161	46.8
235.63829	9.2
237.22093	100.0
255.23119	20.8
298.37885	10.7
303.14688	11.2
311.25757	78.2
329.26804	26.3
384.68573	9.7
423.66486	9.3
431.41754	9.6
446.64941	10.7
508.35043	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	509.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03431	0.5
63.92578	0.4
67.05475	0.5
69.03425	2.4
71.04966	0.5
71.42154	0.5
79.05482	0.6
81.03410	2.1
83.04961	1.1
84.04491	0.5
85.02900	3.0
87.00819	0.5
88.03933	0.4
89.37733	0.5
91.05459	2.1
91.67367	0.4
95.04898	0.6
97.02861	1.0
99.04440	0.9
105.07014	0.7
109.02843	1.1
109.06496	0.9
115.05424	0.4
119.04908	1.0
121.06502	2.1
127.03908	2.3
133.06459	0.8
135.07982	0.6
137.05943	1.3
145.04959	0.6
145.06413	1.1
147.08046	0.6
149.05975	2.0
151.03853	1.5
151.07509	1.8
159.02663	0.5
159.07988	0.8
161.05971	3.0
163.07489	1.3
167.08496	0.5
172.08842	0.6
173.06007	0.9
173.09627	0.7
174.06750	0.5
175.07536	11.5
176.08321	14.0
177.05464	3.9
178.06230	0.7
179.07043	0.8
182.07272	0.7
183.08101	0.5
185.05959	0.6
185.09738	0.4
187.07640	0.5
187.11127	0.9
188.08279	0.8
191.07028	27.5
192.07384	0.6
197.09633	1.0
199.07524	2.0
200.08310	3.6
201.09094	1.7
203.07033	5.4
204.07805	20.3
205.08250	0.5
213.09048	0.6
215.10670	5.0
217.08624	0.9
217.12157	1.4
220.91354	0.4
225.09099	1.4
226.03415	0.4
228.07797	26.3
229.08365	1.2
231.04895	0.5
231.10092	0.5
233.08032	0.7
238.78687	0.4
241.08734	0.9
242.09390	0.9
243.10155	62.3
244.10579	2.5
257.11789	0.7
259.09735	0.4
261.11215	100.0
262.11588	3.1
285.11197	1.1
303.12115	0.9
353.12344	0.6
447.16269	2.3
465.17502	5.0
491.15497	1.6
509.16525	27.5
510.16693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92405	0.4
57.03406	0.6
62.86143	0.4
69.03392	1.9
71.04964	0.4
77.98421	0.4
81.03387	0.7
84.04466	1.6
85.02912	2.7
91.05491	2.3
92.38876	0.4
95.04952	0.9
95.08551	0.4
97.02867	0.8
99.04419	1.2
107.06033	0.5
109.02827	1.4
109.06477	0.5
114.02722	0.5
117.06927	0.5
119.04971	0.8
121.06498	2.3
127.03852	1.7
130.04964	0.5
133.06425	1.1
135.08034	1.0
137.05939	1.2
138.02074	0.4
141.06935	0.5
145.04953	0.4
145.06451	0.7
147.08049	0.5
149.05957	1.2
151.03886	3.1
151.07506	1.8
154.07591	0.4
157.06400	0.5
159.08015	0.7
161.05984	3.4
163.07538	1.3
171.08023	0.5
172.08871	0.9
175.07541	9.9
176.08311	13.8
177.05440	3.9
178.06317	0.5
178.92807	0.4
179.07109	0.6
182.07239	0.9
184.08742	0.4
185.05969	0.5
185.09515	0.4
187.05978	0.7
187.11151	1.1
188.08284	0.9
191.07025	27.7
192.07414	0.6
197.09573	0.7
199.07518	2.3
200.08334	3.1
201.09044	1.4
203.07016	5.7
204.07809	19.0
205.08362	0.5
213.09074	0.7
215.07147	0.5
215.10637	4.5
217.08481	0.8
225.09055	1.2
228.07791	26.3
229.08476	2.0
230.08961	0.5
231.10146	0.5
233.08145	0.8
241.08546	1.1
242.09441	1.2
243.10153	62.8
244.10516	1.8
254.36304	0.5
257.11673	1.0
261.11209	100.0
262.11456	2.7
285.11288	1.3
303.12271	0.8
353.12418	0.6
362.10498	0.9
447.16510	2.1
465.17456	4.6
491.15668	1.3
509.16528	25.1
510.16617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93861	0.7
75.76716	0.6
85.18148	0.6
86.03293	0.6
91.05435	0.6
93.06512	0.5
134.66177	0.6
145.06470	1.6
159.08037	12.4
160.08876	3.0
161.05968	0.8
172.08832	0.6
187.07536	16.3
188.08246	5.3
197.09639	1.6
197.27852	0.7
201.09122	2.8
215.10664	18.9
216.11017	0.7
243.10146	49.5
244.10458	2.2
261.11212	100.0
262.11572	3.8
269.72708	0.6
289.05179	3.4
325.37473	0.6
432.50058	0.6
465.24139	1.1
509.16553	1.2
509.22964	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	509.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86081	1.1
55.05506	6.0
57.07060	5.0
60.91962	1.3
69.03429	1.6
69.61125	4.9
72.86082	1.5
74.09698	3.1
82.06590	1.6
83.08607	4.1
86.07595	1.1
97.61347	1.3
98.09692	1.5
98.22751	2.2
100.07612	2.8
100.11243	14.6
111.04414	4.1
112.07601	1.9
112.44165	1.2
119.08580	2.2
128.07030	1.8
140.07045	1.2
156.13852	12.8
159.08060	12.0
160.08801	2.6
170.15408	3.2
182.15393	16.5
184.13310	8.2
187.07526	11.8
188.08311	4.0
198.14890	3.8
201.09068	2.2
209.16428	2.6
210.14880	14.0
215.10646	15.5
228.15941	1.5
235.21931	1.2
243.10130	42.0
244.10475	1.7
261.11203	100.0
262.11429	2.8
283.23743	1.3
289.05200	2.3
300.26450	4.5
309.25241	1.5
326.27939	5.2
336.22885	1.6
409.30908	1.4
410.30127	3.4
417.79581	1.3
436.31558	3.4
465.24417	1.5
491.39099	2.8
509.23099	3.9
509.40601	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	509.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.6
58.06623	0.7
59.25476	1.0
60.05646	1.2
62.17234	0.8
69.28564	0.9
69.66315	2.8
69.66662	1.0
71.08630	2.0
71.91093	0.7
83.04990	2.3
89.06065	2.0
97.06586	0.8
98.09688	2.3
116.10766	4.2
121.06458	0.9
121.82105	0.8
127.59261	0.8
133.08591	1.1
148.18777	0.9
172.93774	1.3
196.07370	1.5
196.09006	0.9
257.11740	2.0
265.08322	21.6
266.08942	1.5
267.09915	100.0
268.10321	2.8
279.09872	6.3
308.12616	2.4
317.17859	0.9
447.94934	1.0
477.17752	2.3
509.20300	58.5
510.20789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01873	1.8
55.05516	2.2
57.03444	2.5
57.07087	1.3
59.04996	2.3
61.02919	1.8
63.56464	1.1
66.84281	0.9
67.05513	2.6
69.03424	7.2
70.06586	2.7
73.02914	2.7
75.04501	1.6
77.03899	1.2
78.99887	1.0
79.05502	10.1
81.03426	2.1
81.07057	23.9
83.04980	1.1
85.02901	26.6
86.09690	1.9
86.76220	1.2
91.03968	1.6
91.05463	6.2
93.07043	27.7
93.07606	1.8
95.04960	2.6
95.08604	12.7
97.02876	7.4
97.06535	3.4
99.04469	1.2
103.05479	1.4
105.07037	8.8
105.76826	1.0
107.08586	6.0
109.02911	3.0
111.08111	2.1
119.08593	3.0
120.08115	2.4
121.10143	100.0
122.10496	1.7
123.08089	1.6
123.11699	21.1
123.12527	1.7
125.05984	5.7
127.03886	7.2
131.08569	1.5
133.07634	1.4
133.10143	1.5
133.90073	1.0
139.11179	15.5
145.04962	11.3
149.06058	1.7
149.09621	10.9
163.05986	4.8
167.07005	3.1
167.10674	45.6
174.13675	1.1
180.06587	1.6
181.04951	2.1
185.11736	1.8
227.08087	1.5
241.09608	1.5
255.07748	1.7
263.13846	1.6
269.09079	2.0
283.10840	3.4
283.15051	1.4
293.09204	1.1
311.10309	6.9
311.14780	2.3
329.11292	10.4
347.12363	25.0
348.12573	1.5
489.34985	1.1
496.53659	1.3
509.16931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09328	0.7
52.57552	0.7
55.05486	0.9
59.57104	0.7
67.05460	1.8
69.07041	1.8
70.55432	1.7
79.05460	1.3
81.07021	1.6
83.04934	1.0
91.05443	1.6
93.07001	2.8
95.08571	1.0
103.33060	0.6
105.06976	1.8
107.08527	1.6
119.08495	1.6
121.10126	0.9
131.27570	0.7
135.11644	1.2
185.04214	1.0
203.05211	3.2
227.05284	1.2
238.20270	0.8
243.04646	2.6
245.06306	9.1
247.13220	1.1
261.18268	1.0
269.96002	0.7
271.04007	1.1
287.03693	19.9
289.05261	100.0
290.05557	1.7
360.21295	0.9
423.23352	1.5
431.16443	0.8
465.24475	11.4
491.22485	7.5
509.23553	66.8
510.23938	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	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
67.05501	1.1
70.06608	1.0
70.79143	0.8
70.79491	1.5
77.90390	0.8
79.05508	2.0
81.03440	0.9
81.07059	1.5
85.02919	1.1
85.06556	2.2
86.90897	1.0
91.05495	1.4
93.07070	2.2
95.05024	1.1
95.08614	1.1
97.02892	1.0
105.07090	1.4
107.08597	1.3
118.97533	0.9
119.01947	0.9
119.08617	1.0
121.10155	0.9
126.05391	0.9
133.10173	1.1
185.04298	1.3
201.03796	1.4
203.05336	3.3
211.58339	0.8
227.05222	1.2
243.04764	8.8
243.17316	1.2
245.06326	10.2
245.18921	1.3
247.13489	2.3
261.18243	6.3
265.95761	1.0
271.04279	2.6
287.03717	75.3
288.03955	1.8
289.05283	90.3
290.05722	2.7
347.18307	1.2
401.47229	1.0
423.23523	1.5
425.17825	1.9
447.23196	7.3
465.24554	8.9
491.22516	100.0
492.22943	4.7
509.23645	56.9
510.24014	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	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82908	1.0
67.05504	1.1
82.08920	1.0
95.08620	2.5
103.74007	1.1
122.21803	1.0
139.11104	1.3
141.19885	1.0
154.12347	1.7
163.07414	1.0
168.85548	1.0
182.15363	1.4
184.16968	1.9
187.07506	1.6
192.13391	1.0
203.05261	2.8
212.16608	1.6
215.10695	2.8
227.05298	2.0
243.04778	2.8
243.10158	5.3
244.10429	1.2
245.06282	8.3
261.11169	12.8
271.04224	1.2
287.03680	16.6
289.05267	100.0
290.05573	1.2
465.24719	9.3
508.31738	1.1
509.23544	96.1
509.61011	1.2
510.24127	5.3
525.00165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20776	1.5
67.05500	1.5
68.69790	1.4
70.63727	3.3
75.75372	1.7
81.07046	2.1
95.33581	1.8
105.06982	1.7
109.10138	2.0
133.10129	1.9
135.04396	1.7
139.88768	1.5
147.11632	2.7
203.05312	2.5
203.17937	2.1
215.10724	2.0
227.05295	4.5
232.77580	1.4
243.10132	4.6
245.06367	9.4
261.11288	8.3
261.18195	2.0
261.75647	1.7
271.04361	4.0
284.18454	1.7
289.05295	50.2
289.08463	2.6
398.43219	1.6
447.23880	2.6
465.24490	20.1
491.22525	38.2
492.23190	3.2
509.23529	100.0
510.23755	4.9
521.84814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21373	0.5
55.34993	0.6
56.20553	0.6
58.06597	1.6
60.08162	76.6
61.08511	0.5
62.56904	0.6
69.03395	0.7
69.84400	1.9
70.76212	0.6
71.97342	0.6
81.57811	0.7
85.02897	2.0
91.05451	1.2
93.07036	2.4
95.04966	1.1
115.05448	1.2
118.06538	3.9
121.06502	2.1
126.52695	0.7
127.59816	0.6
130.06522	64.9
131.04955	0.7
131.06880	1.0
132.04437	11.0
144.08109	3.5
145.04994	0.8
146.06003	13.6
148.07574	4.9
149.05963	3.0
151.03940	0.9
158.06009	78.7
159.06345	1.7
160.07559	2.5
167.07100	1.4
170.05974	1.1
176.07059	11.6
186.05493	45.7
187.05838	0.9
188.05344	1.3
188.07056	23.8
204.06549	36.0
241.05338	0.6
243.10172	1.7
247.14420	11.9
261.11343	1.3
262.12708	1.1
263.13904	100.0
264.14273	2.5
322.40823	0.6
448.17932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
57.03428	8.9
57.07072	4.9
57.26433	2.4
58.06596	3.9
60.54047	2.2
66.04729	2.6
67.05507	32.4
67.49520	2.4
69.07057	19.8
71.08638	2.5
71.43700	3.2
79.05503	11.0
81.07047	35.1
82.06587	2.4
83.07378	13.6
83.08627	7.0
84.07693	3.7
88.07632	4.4
91.05473	6.7
93.07039	10.6
95.04935	2.3
95.08611	26.2
97.10178	5.7
98.09692	90.8
98.98463	43.7
99.10026	21.6
105.07042	6.4
107.08593	5.6
109.10150	8.5
116.10728	95.5
117.11073	27.4
119.08595	4.0
121.10162	5.5
123.11712	5.5
133.10139	4.4
147.11658	3.0
155.00999	5.5
157.46454	2.4
161.13191	2.3
171.11626	2.5
173.02122	11.0
184.07219	2.8
194.48381	2.5
196.07327	50.9
196.09030	4.1
197.07687	16.9
245.22687	4.2
263.23724	2.8
269.82095	2.2
337.27365	100.0
338.27905	3.7
373.39795	2.6
473.26450	3.5
491.33353	5.4
509.34335	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75312	1.5
51.91915	1.4
55.05513	14.4
57.03437	7.2
57.07086	2.5
65.03943	1.6
67.05504	31.7
69.07066	14.8
74.99039	1.4
79.05497	7.5
81.07053	29.2
83.08637	7.5
91.05486	6.1
93.07063	11.1
95.08607	26.7
97.06512	1.7
97.10194	4.6
98.55200	1.5
98.98463	50.8
105.07026	4.0
107.08630	2.8
109.10162	8.2
116.10746	1.8
116.99591	1.9
119.08590	3.5
121.10040	3.3
123.11723	3.7
128.48010	1.4
133.10118	2.8
135.11729	2.5
147.11665	1.9
155.01053	6.2
170.65167	1.6
173.02116	9.6
175.14873	2.1
195.00333	2.9
234.25078	1.5
245.22998	1.8
247.05814	1.8
257.89523	1.9
263.23697	2.3
315.09518	1.6
337.27341	100.0
338.27902	3.6
416.90616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
53.90075	2.2
61.02913	10.5
62.06086	8.3
65.03940	7.1
66.13936	3.1
67.98216	2.3
68.87915	2.5
69.03426	15.1
81.03429	3.7
85.02897	100.0
87.04503	3.2
91.03934	14.2
91.26486	3.0
93.03397	8.8
97.02880	24.8
99.04457	2.8
107.04928	3.2
109.02872	8.1
111.04449	12.9
122.29197	2.8
125.05983	17.3
127.03900	29.0
145.04950	46.4
149.96880	2.6
151.03880	13.4
163.05994	17.0
169.04935	68.5
176.10683	7.0
194.11786	15.6
205.80205	2.9
234.23114	2.7
242.09267	2.7
348.12024	6.2
357.23001	2.7
511.13947	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	510.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
59.90378	1.6
61.02917	3.6
65.03938	14.9
65.35037	1.5
69.03424	5.1
72.18809	1.6
85.02901	24.0
93.03406	15.3
97.02899	6.4
99.35661	1.7
105.25672	1.9
110.03662	4.5
111.04447	37.1
120.08083	3.4
125.06001	30.1
127.03892	4.4
145.02853	3.4
145.04947	9.9
146.03059	1.8
151.03894	20.1
163.06023	2.1
169.04958	100.0
177.05481	4.2
377.23178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.8
55.05502	3.4
57.03425	3.1
61.02904	3.5
63.23103	2.1
64.15221	2.0
67.05489	6.3
69.03421	14.0
70.06583	3.5
71.04984	2.4
79.05483	10.1
81.03413	35.0
81.07056	13.2
83.08601	2.3
85.02901	45.4
85.38029	2.1
86.06049	2.6
87.04434	7.3
91.05474	6.0
93.07047	14.1
95.04966	8.8
95.08054	2.9
95.08570	13.4
97.02870	14.6
97.06540	3.3
99.04462	4.1
100.92226	2.1
104.07078	10.3
105.07013	29.6
107.04973	3.6
107.08572	5.4
109.02867	6.0
109.05856	3.3
109.06521	40.6
109.10146	2.2
110.07149	2.9
121.10124	17.8
122.05982	2.5
123.08064	32.7
125.05988	3.5
127.03908	14.0
133.06483	28.7
133.10124	5.1
145.04976	14.8
151.07535	100.0
151.11139	2.8
152.07002	5.8
163.05977	7.4
167.14336	3.2
169.08609	16.3
180.06525	39.3
181.04956	3.6
209.15384	15.1
212.16539	2.9
227.16368	3.6
304.21112	2.8
313.12512	3.3
430.22165	7.1
448.23276	4.6
516.77313	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	510.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
69.03403	0.3
69.52066	0.9
70.06583	0.5
79.04209	0.5
79.05476	0.3
80.05007	1.9
81.07036	0.3
86.09678	0.7
106.06533	1.0
107.03699	0.3
122.06004	1.7
124.03939	1.0
133.10127	0.3
134.02362	0.9
134.06000	3.4
141.93512	0.3
150.05467	0.9
152.03416	22.8
152.06966	0.7
163.03897	0.5
168.06538	1.0
176.19736	0.3
180.06538	100.0
181.06879	2.0
365.04648	0.3
366.81641	0.3
426.49039	0.3
430.22171	0.8
448.23264	19.3
449.23621	1.2
457.36078	0.3
460.89716	0.3
511.17157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.05507	12.3
56.96568	2.4
57.03433	2.9
60.90302	2.4
60.94722	2.4
65.00788	2.8
69.03418	10.1
69.49599	4.5
69.50000	7.0
71.04973	5.8
73.02906	5.3
79.05486	4.4
80.14587	2.4
81.03430	6.6
81.07077	3.6
83.04977	10.2
83.08625	5.8
85.02917	14.4
91.05440	17.9
91.48611	2.9
93.07037	47.6
94.07385	2.7
95.04967	38.0
95.08598	3.5
97.02886	5.3
97.10185	2.8
98.97595	3.2
99.04441	8.3
99.47791	2.8
105.04510	3.7
105.07022	5.7
107.08549	6.7
109.02898	4.4
109.06540	4.3
109.10137	10.7
111.08086	5.5
114.95038	2.8
115.03941	2.8
119.54575	2.7
121.05862	2.8
121.06525	32.8
121.10149	9.5
123.11781	2.5
125.06020	2.8
127.03896	6.4
130.04918	2.6
131.04968	2.8
133.06526	3.5
133.10138	8.2
149.05969	58.9
151.11195	9.3
153.09093	6.7
161.05995	5.8
163.03906	9.8
167.07034	95.6
167.14253	12.5
173.13310	5.2
191.14297	4.4
205.08528	3.4
209.07881	3.8
209.15350	100.0
209.55205	3.3
222.87476	2.6
227.10757	4.3
227.16446	7.5
228.10127	2.8
243.10265	8.0
245.11748	9.6
261.11230	4.5
263.12772	26.2
362.58521	8.0
371.10086	3.9
501.63574	4.6
502.13144	3.8
510.16849	3.9
511.17682	5.1
531.43860	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01880	1.6
55.05510	9.7
57.03431	4.2
57.07070	1.2
65.03941	1.3
67.05502	15.1
68.02741	1.0
69.03420	3.4
69.07055	8.2
69.20392	7.0
71.04993	7.8
79.05482	11.3
81.03432	2.1
81.07051	48.6
83.04991	3.0
83.08627	6.2
85.02895	11.4
85.06544	4.2
89.02427	1.3
91.05473	13.0
93.07043	14.3
95.04969	1.5
95.08602	56.1
97.02891	4.2
97.06519	10.0
97.10160	4.2
98.22705	1.9
99.08090	7.5
105.07021	16.2
107.08582	7.1
109.02938	1.1
109.06498	2.0
109.10173	3.8
111.08068	2.5
113.09619	1.5
116.24903	0.9
117.07036	1.4
119.08577	23.6
121.10155	5.5
123.08084	2.8
127.03929	1.8
133.10115	16.6
135.11691	11.3
137.09560	1.8
137.13263	7.7
145.04959	2.1
151.14897	1.4
161.13252	60.2
162.13609	2.0
167.14374	1.3
169.13548	1.1
179.14297	100.0
180.14630	3.0
197.15356	56.0
215.16461	3.0
313.16553	1.3
397.84253	1.1
447.72427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27650	2.5
51.86777	2.3
55.01881	2.5
55.05495	4.3
55.44503	2.2
57.03425	3.3
60.05654	5.4
67.05505	13.2
69.03429	4.8
69.07074	4.9
69.37404	10.4
70.06548	2.6
71.04989	10.0
79.05478	13.7
81.03397	4.1
81.07056	36.9
83.08621	3.2
85.02898	11.1
85.06539	3.4
91.05497	14.1
93.07025	13.6
95.08596	40.2
97.02869	4.2
97.06548	5.4
98.22716	5.7
105.07015	13.4
107.08596	10.2
109.02911	2.6
109.10129	3.5
111.08031	3.9
119.08597	16.2
121.10181	5.0
127.03875	3.2
133.10121	10.7
135.11685	5.7
142.94507	2.9
143.58153	2.5
145.27068	2.8
147.04388	3.7
148.34669	2.4
161.13242	45.0
179.14302	100.0
181.04964	6.8
182.05295	4.0
197.15338	6.8
234.10811	2.4
311.81616	2.4
313.16470	5.6
441.30316	2.7
510.18842	10.6
510.25183	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	510.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05024	1.8
57.03429	0.6
57.07078	2.8
58.06596	1.4
59.78117	0.5
60.07874	0.9
60.08162	17.1
61.35392	0.4
62.06086	9.0
64.06804	0.4
67.05489	1.5
69.07056	0.8
71.07368	6.2
71.08615	2.2
81.07053	1.1
83.08621	0.7
85.10184	1.3
86.09701	50.2
87.10041	0.8
95.08607	1.9
98.98466	4.3
100.60971	0.5
104.10738	100.0
109.10147	0.5
112.99958	0.6
116.10697	1.0
124.99999	27.0
140.91739	0.5
169.02579	0.5
183.62151	0.5
184.07333	99.6
258.11044	1.8
271.55997	0.7
327.28943	1.2
337.27362	3.2
343.16928	0.6
492.34509	8.3
510.20801	11.5
510.35519	28.7
511.20105	2.0
511.35187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.9
57.03439	4.5
57.07077	100.0
67.05497	36.1
69.03429	10.6
69.07053	20.8
71.08631	83.4
71.43430	4.2
75.04424	4.5
81.03407	6.1
81.07056	47.0
83.08615	35.6
85.02883	31.1
85.10182	48.4
86.09714	4.3
93.07034	4.8
95.08600	67.8
95.09151	7.0
97.02891	20.2
97.10168	14.6
99.11721	7.2
104.10754	19.2
109.02872	13.8
109.10151	32.4
111.11682	4.8
123.11716	17.9
127.03901	22.6
133.06595	4.4
137.13313	4.8
137.58296	3.7
145.04950	20.4
154.42816	4.8
159.83327	4.3
162.12398	3.3
162.26941	4.4
176.74669	3.4
184.07372	23.0
191.32817	3.9
195.00356	7.2
200.19518	4.2
221.22562	9.5
222.67987	3.6
239.23688	93.1
257.24777	7.8
313.27341	90.1
314.27618	6.8
316.64093	4.5
331.28583	8.7
383.27890	35.3
401.28964	82.9
441.33954	4.4
510.27481	4.1
510.35471	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	511.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.03413	0.4
58.99589	0.6
69.03423	0.9
69.52004	0.4
71.04986	0.8
75.73785	0.3
83.04976	1.7
84.04492	2.6
85.88392	0.4
88.03978	1.5
89.02823	0.3
91.05453	0.8
95.04955	0.5
97.02901	0.6
99.04426	1.0
105.07011	1.4
107.04961	0.6
112.07590	0.4
112.70250	0.4
114.03745	0.5
115.05431	0.9
117.07025	1.1
121.06513	0.9
121.78264	0.4
122.02708	2.0
127.03945	0.4
128.06322	0.4
129.06946	0.3
130.05000	1.1
132.05695	0.4
132.68364	0.4
133.06447	1.4
135.04379	0.5
137.05943	0.4
142.03229	0.5
145.06487	3.7
147.08020	1.3
149.05927	0.5
151.03874	0.7
151.07489	0.5
155.30902	0.4
157.06465	0.6
158.07237	0.7
159.08052	2.6
161.05960	8.7
163.07477	0.6
171.07913	0.8
173.06004	0.8
173.09724	0.6
174.06744	1.5
175.06096	0.7
175.07520	5.7
176.08266	0.7
179.08481	0.4
182.07233	1.0
184.08733	0.4
185.09586	0.6
187.07571	3.1
187.11169	1.1
191.07022	1.6
197.09604	1.7
199.07327	0.7
199.11191	0.7
201.09109	0.5
203.07043	0.7
204.07805	2.1
205.08577	3.4
213.09021	1.3
215.07014	5.9
215.10625	2.4
217.08453	1.2
225.09081	5.9
227.10655	1.1
242.43536	0.4
243.10176	5.7
245.11716	33.2
246.12102	0.8
249.05351	1.3
251.07016	1.9
261.11172	1.9
263.12769	100.0
264.13092	2.7
274.24063	0.4
336.31354	0.4
364.11975	1.3
467.19302	0.4
493.16425	1.0
504.55002	0.4
511.17258	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	511.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01832	2.0
55.05512	15.0
55.06324	1.5
59.64347	1.4
67.12915	1.4
69.03426	5.0
70.94559	2.9
75.04478	2.1
81.03414	7.2
83.04978	64.1
83.08618	2.1
85.02898	10.7
87.00833	3.6
91.05473	11.7
93.64261	1.5
97.02882	5.2
99.04449	3.3
100.11256	8.8
101.06042	1.9
101.11561	2.3
105.01855	3.3
105.07016	6.0
109.02876	5.6
115.05425	3.1
117.07024	8.5
118.23408	1.4
119.08578	10.7
127.03945	10.4
133.06471	5.6
134.07242	1.7
135.08070	3.6
145.06487	81.0
146.06853	1.9
147.07979	2.1
149.09612	60.3
159.02946	1.8
159.08006	1.8
163.07547	3.2
179.03413	2.9
182.15437	2.7
183.15776	2.2
189.09096	100.0
190.09453	2.7
210.14873	2.2
228.16187	1.6
231.05043	1.7
245.11691	2.0
245.15395	4.5
247.13268	3.0
263.12866	10.5
310.21997	1.5
437.14465	3.4
480.73114	1.6
510.40720	5.1
511.41223	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	511.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16861	0.1
53.03927	0.2
55.05494	0.5
57.03421	0.1
57.07063	0.1
59.50856	0.1
67.05481	0.3
69.03426	0.6
70.42198	0.2
71.04988	0.3
71.16931	0.1
73.02868	0.1
79.05501	0.1
81.03407	0.3
83.04973	1.0
85.02892	0.4
87.00809	0.1
88.16613	0.1
91.05455	0.3
93.07034	0.5
95.04940	0.2
95.08599	0.2
99.04440	0.1
100.11257	0.2
105.07025	0.2
109.02868	0.3
114.09165	0.1
115.05409	0.2
115.75831	0.1
119.08547	0.4
121.06462	0.7
127.03903	0.4
128.99805	0.1
129.06955	0.2
131.08568	0.2
133.06488	0.3
135.08017	0.3
137.05971	0.6
143.08536	0.2
144.05713	0.2
145.04988	0.2
145.06477	0.2
145.21687	0.1
147.08049	0.6
149.05966	0.4
149.09636	0.6
151.03853	0.3
151.07523	0.6
157.10074	0.2
159.08047	0.5
161.05939	0.9
163.07549	0.4
165.09106	0.2
175.07530	3.7
176.08325	3.4
177.05479	0.7
177.09131	0.8
183.11746	0.2
185.09543	0.1
187.07518	0.5
188.08315	0.9
189.05479	0.3
189.09117	2.2
191.07028	2.2
193.08572	0.6
199.11148	0.3
201.09026	0.1
202.09880	0.4
203.06969	0.9
203.10593	0.2
204.07780	4.4
204.34389	0.1
205.08594	3.3
211.11111	0.2
212.08369	0.5
215.04883	0.3
215.07005	5.9
216.07410	0.2
217.08580	0.4
217.12222	0.3
227.10588	0.2
228.10924	0.3
229.08708	0.3
229.12224	0.3
230.09340	0.4
245.11717	22.7
246.12068	0.5
263.12762	100.0
264.10538	0.2
264.13113	2.9
289.14108	0.1
438.97330	0.1
467.19064	0.4
475.16672	0.1
511.17892	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	511.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71002	4.4
61.02917	19.7
67.05485	9.6
69.03423	11.8
71.42828	5.6
73.02917	10.3
78.10326	5.1
78.79828	4.5
79.05483	9.0
81.03399	9.9
81.07051	26.7
83.04980	11.7
84.04490	7.7
85.02903	59.1
88.11830	4.3
90.85921	4.4
91.03969	28.7
91.05466	9.1
93.07015	10.1
95.08595	36.9
97.02898	22.4
103.05472	6.7
105.07028	26.9
109.06502	6.8
123.08064	100.0
125.06019	9.2
127.03889	17.8
133.06493	40.9
145.04941	36.7
151.07536	96.6
163.06035	42.4
169.08572	29.3
252.27139	4.3
278.98785	4.5
326.08209	4.6
328.26544	4.2
525.34271	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	511.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05499	9.1
56.96557	3.5
57.03427	3.6
57.07062	3.9
61.02921	4.3
61.36480	1.3
67.05506	19.6
69.03434	9.0
69.07066	7.8
70.06571	1.8
70.43157	2.1
71.04991	8.0
73.02924	2.0
79.05500	6.6
81.03428	3.7
81.07055	69.9
83.08628	1.7
85.02905	36.1
85.06535	12.1
87.04461	1.5
89.06010	2.3
91.03933	1.8
91.05501	1.5
93.07026	7.2
95.04965	8.8
95.08597	12.4
97.02881	8.7
97.10149	7.7
98.97586	5.8
99.08053	1.9
105.07027	1.5
107.08601	3.7
109.02884	4.7
109.06517	2.2
109.10153	14.3
111.08078	1.5
112.66386	1.2
112.99142	1.5
116.98625	2.9
123.08033	1.5
123.11702	65.0
124.12022	1.4
125.09623	2.8
127.03939	11.5
127.11182	22.8
133.10170	3.1
141.12718	3.8
143.00156	1.7
145.04948	16.5
151.11148	12.0
158.99635	3.9
161.01247	2.1
163.06021	5.8
169.12233	100.0
173.01108	1.9
177.00696	3.0
181.04974	2.3
187.13281	60.5
218.33044	1.4
219.66904	1.4
281.10571	1.4
304.90582	1.4
305.10611	5.9
319.12140	2.2
323.11520	2.5
331.17389	3.1
347.11545	3.8
386.43152	1.4
408.67496	1.6
511.15762	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	511.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71319	0.7
53.68515	0.7
57.02356	0.8
67.05511	1.3
70.14637	1.8
78.43839	0.8
81.07065	1.1
96.39278	0.7
98.22768	1.0
105.06993	0.8
109.14461	0.7
111.54066	0.6
157.70741	0.8
493.25372	1.1
511.28741	100.0
512.29022	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	511.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52921	0.7
53.03946	1.1
55.01860	1.2
55.05506	2.8
57.03431	2.9
57.07060	1.8
61.02930	4.4
65.49889	0.6
67.05487	3.0
69.03428	13.8
69.07062	4.1
71.04988	2.0
71.08630	1.6
71.42924	1.1
73.02918	2.8
79.05477	1.9
81.03426	5.6
81.07045	6.1
83.04935	0.8
83.08606	1.8
85.02902	23.6
85.06528	1.6
87.04462	3.9
91.03940	1.5
91.05461	1.5
93.07027	3.0
95.08611	5.3
95.24654	0.7
97.02891	9.8
97.06529	1.4
99.04446	2.3
99.08087	1.6
101.02410	1.1
103.03937	0.8
105.07015	2.1
105.71702	0.8
107.08604	3.1
108.45271	0.7
109.02864	2.9
109.06514	10.6
109.10143	2.1
117.07085	0.8
119.08595	3.0
121.10150	2.6
122.07284	0.9
123.08067	27.5
123.11628	1.4
127.03914	7.0
131.08537	1.1
133.10133	2.4
135.08072	2.3
135.11678	1.9
136.08865	0.9
137.09595	1.2
145.04948	5.1
145.10083	1.1
147.11725	1.4
149.09613	1.0
149.13219	1.4
157.36069	0.7
161.13281	1.2
175.14784	1.0
179.14296	43.6
180.14742	1.1
193.15942	1.1
293.21091	8.8
295.74072	0.8
305.73102	0.8
331.26309	4.6
347.25922	0.9
349.27362	100.0
350.27750	3.4
405.77982	0.8
493.31784	1.3
511.32819	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	511.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30656	0.3
66.61841	0.3
69.42194	1.7
70.06576	0.6
71.08653	0.4
72.59093	0.4
86.05377	0.3
87.80827	0.4
103.47780	0.4
146.11852	0.4
149.02365	2.8
149.03473	0.6
150.02687	1.4
193.05006	2.7
194.05290	1.3
219.49107	0.4
235.91649	0.4
237.07442	1.9
238.08002	1.9
256.05359	0.4
300.28824	0.6
301.29272	1.0
428.66132	0.4
467.34903	5.3
511.33929	100.0
512.34235	4.4
529.35187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13686	0.2
51.06774	0.2
52.42549	0.2
52.49351	0.2
53.03932	0.4
61.02908	0.4
65.03935	1.7
67.05495	3.9
69.03420	1.8
69.28869	0.9
70.78905	0.2
73.02911	0.8
79.05485	1.5
81.03412	0.7
81.05775	0.6
81.06602	0.2
81.07034	1.4
84.34456	0.2
85.02900	1.9
87.04465	0.3
91.05452	0.4
93.05770	1.1
94.06563	0.3
95.04967	0.3
96.08115	0.3
97.02908	1.2
99.04423	0.4
106.06534	1.9
107.07326	0.3
108.08109	100.0
109.02858	0.4
109.08430	1.2
122.05991	0.2
123.06797	4.7
124.07589	14.3
125.02327	0.3
127.03925	0.5
130.01117	0.3
134.06004	9.1
136.07567	18.2
137.08334	0.9
151.03938	0.5
152.07054	50.4
153.07394	0.6
154.08606	2.2
161.16064	0.3
170.08130	0.5
181.04953	1.4
246.14729	0.3
254.10059	0.3
296.11298	0.3
314.12302	60.3
315.12540	1.2
332.13364	0.4
406.28836	0.3
512.17664	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	512.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01884	5.4
57.03434	35.7
58.07913	2.2
61.02935	10.6
61.30845	2.1
67.05483	3.4
69.03426	41.5
69.47437	5.0
69.47824	5.1
71.01347	4.4
71.04974	1.9
73.02913	77.8
79.05492	10.7
81.03423	6.9
81.07055	34.2
83.01344	3.1
85.02905	59.6
87.04489	3.6
91.05476	15.4
93.07079	3.5
95.04967	39.9
97.02891	77.6
99.04455	3.0
109.02843	10.7
109.06518	56.9
109.85757	2.1
110.07111	2.3
111.04459	2.6
115.03928	59.6
119.04959	14.5
121.06522	3.1
123.04458	3.4
127.03902	15.4
133.04950	17.9
137.05972	91.5
139.03951	4.7
145.04951	20.2
147.04391	22.8
152.22137	2.7
152.23392	2.1
153.09148	5.1
155.07013	2.6
163.06017	5.7
165.05476	71.1
183.06531	100.0
184.06876	3.5
223.06071	6.7
237.93622	2.4
241.07111	10.4
259.08151	8.4
279.08868	2.9
295.10147	17.4
297.09708	5.3
322.62067	2.3
327.10889	5.4
355.01984	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	512.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05510	12.8
69.03425	3.3
70.72061	5.2
78.96649	2.1
80.07673	2.3
80.09521	2.7
81.03403	4.4
83.04977	100.0
85.02911	6.1
87.00855	3.8
97.02873	4.0
103.05428	2.3
109.02864	4.0
110.83926	2.8
119.08601	13.8
121.99079	2.2
127.03920	8.0
147.08049	38.4
173.16286	2.7
180.70776	2.8
205.05466	2.6
208.94003	2.4
229.12271	11.3
349.68152	2.4
411.92532	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	512.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.0
69.03447	6.6
74.11433	2.3
81.03424	6.0
83.04974	100.0
85.02900	12.8
86.54881	2.7
87.00822	6.9
91.05478	3.6
97.02902	8.2
105.01855	5.1
109.02899	8.2
110.15622	2.6
119.08598	2.4
127.03923	7.1
134.75685	3.2
147.08049	16.8
185.07330	2.7
187.11136	4.8
191.07045	3.1
199.11320	3.1
211.11128	5.0
229.12201	35.7
251.35397	2.6
331.10150	13.2
477.17157	3.1
485.50562	3.0
513.13599	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	512.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03937	2.5
55.05505	11.7
55.29893	1.5
61.74448	1.4
67.05501	9.8
69.03067	3.1
69.03426	44.6
69.07054	3.6
69.22356	1.5
69.97998	3.4
69.98360	3.2
79.05523	7.7
79.05904	1.6
80.05046	3.2
81.03419	22.3
81.07050	8.9
83.04530	2.6
83.04978	35.1
85.02911	1.5
91.05474	19.8
93.07021	10.2
93.95257	1.5
95.04960	10.2
95.08591	6.5
96.04464	3.1
97.06535	2.6
98.23351	1.6
98.85099	1.6
101.21547	1.6
103.05447	3.1
105.07027	19.5
106.02914	6.5
107.04961	2.5
107.08596	8.8
107.81869	1.7
109.02890	2.4
109.06504	6.1
109.10193	1.9
111.04440	72.4
113.06046	2.1
115.05480	3.9
117.06998	16.1
119.08579	21.7
121.06528	4.6
121.10163	4.3
123.08073	2.2
124.03943	100.0
128.06261	4.1
129.06993	12.4
130.07811	2.6
131.04936	3.1
131.08557	39.6
133.06461	2.8
133.10138	6.0
135.08063	4.1
141.06953	5.0
142.07796	6.5
143.08559	16.9
144.09273	2.5
145.06511	4.7
145.10117	34.2
147.08043	4.9
147.11664	3.6
149.02426	2.5
149.09601	2.1
149.13298	2.7
153.07018	5.2
154.36269	1.6
155.08586	11.4
156.09358	8.5
157.10129	15.4
158.10918	4.9
159.08055	4.0
159.11661	12.4
161.09668	5.0
161.13206	5.0
163.07532	2.1
163.11197	2.8
163.14859	2.4
165.07037	5.1
165.09171	4.6
166.07780	3.1
167.08601	5.3
168.09381	4.5
169.10132	8.9
169.15842	1.8
170.10924	2.1
171.08112	3.0
171.11703	14.6
173.09676	6.4
173.13245	79.6
174.13712	2.1
175.11189	3.4
175.14922	1.7
179.08551	3.8
180.09282	2.6
181.10092	8.6
183.08089	3.5
183.11652	11.6
185.09613	4.2
185.13261	4.8
187.11150	3.4
189.12773	11.2
191.10690	4.8
191.14322	8.2
193.04982	1.7
193.10159	5.6
194.05484	1.6
194.10986	2.2
195.08112	2.9
195.11685	8.6
197.09645	3.8
197.13293	4.3
199.11118	4.4
201.12724	20.8
203.14287	2.5
205.10179	1.9
206.10895	2.7
207.11758	2.1
207.73465	1.6
209.09615	1.9
209.13297	4.8
211.11176	3.8
211.14861	3.2
215.14337	3.1
219.11792	2.0
219.13786	22.2
221.13310	4.8
225.01723	1.6
229.12352	2.8
235.11156	2.0
237.12737	2.8
237.16551	2.2
247.13054	2.6
255.13872	1.7
255.17369	2.3
265.15906	5.7
273.14890	3.0
283.16895	3.8
290.94009	1.6
293.15427	3.5
311.16312	11.0
329.17465	6.6
347.18539	5.8
347.33102	1.6
372.28882	1.7
389.19565	53.9
452.20837	4.2
468.35089	2.8
511.34006	22.8
512.22632	4.4
512.34314	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03943	3.0
55.01863	1.6
55.05509	5.9
57.03436	2.3
57.07059	1.1
61.02903	3.4
67.05488	4.6
68.82433	0.7
69.03423	6.4
69.07064	3.6
71.04979	1.2
77.03888	1.8
79.05486	12.9
81.03416	3.0
81.07059	9.1
83.04995	2.1
85.02901	31.4
87.11604	0.8
91.03974	1.8
91.05472	21.0
93.07038	78.8
94.07360	1.3
95.04962	6.7
95.08601	14.1
97.02901	6.7
97.06517	2.7
98.23479	2.3
99.04427	1.7
105.04502	3.0
105.07033	6.9
107.08586	100.0
108.08152	1.4
108.08945	2.0
109.02881	3.4
109.06504	2.6
109.10157	2.5
111.04437	0.8
119.06097	1.6
119.08549	2.0
120.09277	0.7
121.10166	2.1
123.11744	3.8
127.03885	8.8
133.10103	0.9
135.11684	80.8
136.07500	1.0
136.12022	1.6
137.13229	1.9
145.04951	13.0
147.11705	1.7
152.07089	0.9
153.12724	14.5
159.11664	1.0
159.81497	0.8
163.06047	6.2
165.12685	0.9
169.12262	1.6
187.13245	1.2
279.16025	1.1
314.12180	1.6
315.14343	2.4
325.11172	1.2
339.09839	1.0
394.51721	0.8
513.19513	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
50.22453	0.5
51.02380	0.7
53.03941	1.7
54.45513	0.5
55.01864	0.7
55.05510	6.3
57.03431	2.3
57.07069	0.7
61.02927	2.9
65.03927	1.8
66.41042	0.6
67.05502	5.5
69.03428	8.1
69.07067	3.7
71.04999	1.1
73.02908	1.7
77.03907	2.0
79.05492	15.0
81.03413	2.9
81.07052	9.8
83.01297	0.6
83.04997	2.7
85.02902	34.5
85.06509	0.7
91.03934	1.5
91.05476	22.2
93.07040	85.6
94.07362	1.4
95.04961	7.8
95.08020	1.0
95.08600	15.4
97.02883	9.5
97.06530	2.0
99.04442	1.8
99.20731	0.5
105.04487	2.9
105.07027	7.6
107.08587	100.0
108.08154	1.2
108.08935	1.9
109.02850	2.8
109.06508	4.1
109.10175	3.1
115.03934	0.6
119.06055	2.1
119.08586	2.1
121.10129	1.6
123.11697	2.6
127.03918	7.8
131.08522	0.7
133.10104	0.9
135.11684	83.9
136.12007	1.4
137.13216	0.9
143.08569	0.6
145.04951	12.9
145.10124	0.9
147.11682	0.7
152.06960	0.6
153.12741	14.3
159.11667	0.6
163.03929	0.7
163.05992	5.6
169.12259	1.2
176.00900	0.6
177.12825	0.8
187.13297	1.2
215.09044	0.6
263.13058	0.5
279.15836	0.9
297.16977	1.1
314.12204	0.6
315.14249	2.1
325.11255	1.5
371.12607	0.9
513.19067	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
55.05515	4.5
57.03434	6.7
67.05524	2.7
69.03410	2.5
69.07058	2.9
69.67329	7.8
79.05493	18.4
81.07053	8.2
83.04966	21.3
91.05476	4.9
93.07047	9.6
95.04974	7.0
95.08623	5.5
97.06536	9.9
98.23460	3.8
99.04443	4.0
105.07015	11.7
107.04954	15.9
107.08588	13.7
109.06518	6.3
109.10150	6.2
117.07047	2.6
119.08591	8.1
121.06486	3.1
121.10153	8.4
123.08065	3.4
125.05981	18.2
131.08548	10.9
133.10098	13.9
135.08028	5.8
135.11632	3.9
143.07024	8.3
145.10150	5.5
147.11743	3.2
149.09621	13.1
149.13269	2.4
151.11163	20.6
157.10118	5.3
159.11775	2.8
161.09647	5.5
161.13338	3.3
163.14804	3.4
165.12737	4.4
171.11694	6.3
173.09612	3.8
173.13228	11.3
175.11169	3.4
182.99391	2.9
185.13263	2.9
189.12781	8.6
191.10701	6.6
191.14281	21.6
199.11087	4.1
199.14891	4.8
207.13763	17.6
209.11665	5.2
211.11150	2.7
213.12669	17.6
215.14328	2.7
231.13713	5.1
235.13333	3.9
237.16382	3.0
241.15855	5.3
245.11818	3.4
245.15424	5.3
255.13818	3.0
259.16891	3.9
269.15421	6.8
273.14850	7.0
279.17447	4.4
297.18475	20.9
311.14716	3.6
315.19531	12.3
317.63986	2.9
333.16974	3.4
354.17719	2.5
357.20474	8.7
375.21558	11.0
417.22772	7.2
433.32834	2.4
435.23724	100.0
436.24112	5.8
512.28418	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	513.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
59.05007	5.8
70.24085	4.3
70.81646	4.2
71.04958	7.5
76.02234	4.8
81.03386	5.5
83.04992	7.8
84.04490	29.9
85.02894	8.0
87.02697	7.1
88.03979	14.2
88.06962	3.9
88.55825	4.5
91.05510	11.6
99.04455	52.1
105.00066	7.8
107.08514	4.4
108.07748	4.6
110.19475	4.1
117.42269	4.5
119.08585	12.6
121.06567	4.2
122.02703	23.9
127.03921	5.9
130.04990	11.5
131.24927	5.0
135.04408	11.6
135.08043	52.1
142.03255	4.2
145.06516	5.8
147.08040	14.0
156.04765	7.7
159.08061	6.7
163.07550	5.5
173.05997	12.6
175.07478	4.7
188.03761	5.7
189.09106	14.2
199.11172	15.5
202.05379	6.1
212.08266	8.9
213.09070	5.0
227.10649	100.0
231.04253	5.2
235.26003	4.2
245.11731	55.0
251.06967	32.1
261.09552	7.3
348.12625	10.9
366.13763	7.3
477.16812	12.2
495.17764	6.5
513.18842	16.5
513.26691	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	513.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
59.05007	5.8
70.24085	4.3
70.81646	4.2
71.04958	7.5
76.02234	4.8
81.03386	5.5
83.04992	7.8
84.04490	29.9
85.02894	8.0
87.02697	7.1
88.03979	14.2
88.06962	3.9
88.55825	4.5
91.05510	11.6
99.04455	52.1
105.00066	7.8
107.08514	4.4
108.07748	4.6
110.19475	4.1
117.42269	4.5
119.08585	12.6
121.06567	4.2
122.02703	23.9
127.03921	5.9
130.04990	11.5
131.24927	5.0
135.04408	11.6
135.08043	52.1
142.03255	4.2
145.06516	5.8
147.08040	14.0
156.04765	7.7
159.08061	6.7
163.07550	5.5
173.05997	12.6
175.07478	4.7
188.03761	5.7
189.09106	14.2
199.11172	15.5
202.05379	6.1
212.08266	8.9
213.09070	5.0
227.10649	100.0
231.04253	5.2
235.26003	4.2
245.11731	55.0
251.06967	32.1
261.09552	7.3
348.12625	10.9
366.13763	7.3
477.16812	12.2
495.17764	6.5
513.18842	16.5
513.26691	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	513.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99599	2.4
67.05500	1.0
69.03442	1.3
70.06586	1.4
70.67801	0.9
71.01201	1.6
71.04994	2.2
73.02913	2.4
74.00666	1.6
74.06098	1.3
76.02225	3.2
79.05501	1.4
83.04977	11.6
84.04502	23.8
85.47691	0.9
87.02676	5.8
88.02205	1.8
88.03973	6.6
91.05486	3.7
94.06561	1.3
95.04972	2.8
99.04454	16.1
101.99699	0.9
105.00112	1.2
105.07015	2.0
107.08560	1.2
114.03740	11.0
115.02158	1.9
115.05456	2.8
117.07033	5.1
119.04943	1.2
119.08594	2.8
120.01134	1.2
121.06496	2.2
122.02723	9.7
125.07085	0.9
128.05338	1.1
129.06876	2.2
130.05002	11.5
130.95364	1.0
133.06459	1.8
135.04414	1.9
135.08026	12.2
138.02238	2.2
142.03217	3.2
142.07834	1.3
143.08566	3.7
144.01859	1.1
145.06485	27.5
145.07587	2.1
147.04315	1.5
147.08078	8.0
153.06975	1.3
155.08485	1.3
156.09369	3.4
158.07378	1.7
159.04727	1.7
159.08076	8.3
160.04268	9.9
161.05983	1.5
163.07547	4.6
163.08788	1.1
166.07770	5.0
168.09389	1.9
171.07979	4.7
171.11647	2.8
173.05997	3.4
175.07538	10.3
181.10153	2.9
182.07306	1.3
183.07965	2.8
184.08850	3.9
185.05937	1.9
185.09555	2.4
187.07574	3.2
188.03760	2.5
188.08260	2.4
189.09074	2.4
191.03674	1.0
197.09572	1.3
199.07437	1.5
199.11172	22.3
201.09207	1.3
201.12918	1.2
209.09630	4.1
212.08325	8.0
213.09106	2.5
217.08348	1.3
217.12248	1.2
227.10651	71.7
228.11037	3.0
229.12360	1.4
231.04233	1.3
233.05894	1.3
234.04309	1.7
245.11728	100.0
246.12169	3.7
249.05525	2.7
251.06964	15.6
261.09503	2.4
267.06369	2.6
302.43762	1.1
348.12708	3.2
366.13605	2.7
477.16681	1.6
495.17853	1.6
513.17523	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	513.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05518	2.2
58.99583	1.7
61.01146	0.6
67.05508	1.3
69.03424	0.8
69.07066	3.9
69.50620	1.8
71.05000	0.4
76.04022	0.4
76.14528	0.3
79.05485	1.1
81.07053	1.5
82.06582	0.8
83.05030	0.6
83.08620	1.7
84.04546	0.8
84.08180	0.4
85.01105	0.4
85.02895	0.9
86.00668	1.2
86.99061	1.3
87.00784	0.4
87.02684	0.9
88.02222	0.9
89.07185	0.4
90.41316	0.4
91.05493	0.9
93.07039	1.6
95.08636	1.2
96.62579	0.4
101.04253	0.5
105.07000	0.7
107.08612	1.1
108.08130	1.3
109.02880	0.7
110.06038	0.5
113.04199	0.5
116.01677	5.0
119.08620	0.7
127.03928	1.1
129.07355	1.0
130.04988	0.4
131.08650	0.4
135.11633	0.4
138.03772	0.5
140.05399	0.4
143.02760	0.8
144.01172	1.1
152.14429	0.4
159.11792	0.5
162.02248	1.5
162.09296	0.5
172.11195	0.5
174.86783	0.4
176.07155	0.4
176.14429	0.6
189.03355	0.5
190.08636	1.2
192.06494	0.5
197.07532	0.7
197.09259	2.3
205.07425	0.5
206.08105	0.4
210.13080	0.5
220.09682	7.2
220.11728	0.5
230.08340	0.5
230.11780	0.4
230.15608	0.7
234.11197	0.4
243.07977	6.7
258.11276	0.6
260.12881	1.4
264.08774	0.4
267.52631	0.5
272.16516	0.5
278.08517	1.5
282.09750	0.8
288.15930	3.3
289.16550	0.5
290.17606	1.4
305.12091	0.5
322.14801	0.7
333.20218	0.6
340.08609	0.6
348.16269	9.4
351.21356	8.2
352.17291	0.4
368.16901	0.4
381.11169	0.7
384.14667	2.3
409.18005	0.5
410.16376	4.2
441.32333	0.4
451.18982	3.3
454.22128	1.8
467.18542	1.5
495.18021	2.5
513.19043	100.0
513.26392	8.4
514.19312	6.5
514.26154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1905
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
55.01866	0.5
55.05518	2.2
58.99583	1.7
61.01146	0.6
67.05508	1.3
69.03424	0.8
69.07066	3.9
69.50620	1.8
71.05000	0.4
76.04022	0.4
76.14528	0.3
79.05485	1.1
81.07053	1.5
82.06582	0.8
83.05030	0.6
83.08620	1.7
84.04546	0.8
84.08180	0.4
85.01105	0.4
85.02895	0.9
86.00668	1.2
86.99061	1.3
87.00784	0.4
87.02684	0.9
88.02222	0.9
89.07185	0.4
90.41316	0.4
91.05493	0.9
93.07039	1.6
95.08636	1.2
96.62579	0.4
101.04253	0.5
105.07000	0.7
107.08612	1.1
108.08130	1.3
109.02880	0.7
110.06038	0.5
113.04199	0.5
116.01677	5.0
119.08620	0.7
127.03928	1.1
129.07355	1.0
130.04988	0.4
131.08650	0.4
135.11633	0.4
138.03772	0.5
140.05399	0.4
143.02760	0.8
144.01172	1.1
152.14429	0.4
159.11792	0.5
162.02248	1.5
162.09296	0.5
172.11195	0.5
174.86783	0.4
176.07155	0.4
176.14429	0.6
189.03355	0.5
190.08636	1.2
192.06494	0.5
197.07532	0.7
197.09259	2.3
205.07425	0.5
206.08105	0.4
210.13080	0.5
220.09682	7.2
220.11728	0.5
230.08340	0.5
230.11780	0.4
230.15608	0.7
234.11197	0.4
243.07977	6.7
258.11276	0.6
260.12881	1.4
264.08774	0.4
267.52631	0.5
272.16516	0.5
278.08517	1.5
282.09750	0.8
288.15930	3.3
289.16550	0.5
290.17606	1.4
305.12091	0.5
322.14801	0.7
333.20218	0.6
340.08609	0.6
348.16269	9.4
351.21356	8.2
352.17291	0.4
368.16901	0.4
381.11169	0.7
384.14667	2.3
409.18005	0.5
410.16376	4.2
441.32333	0.4
451.18982	3.3
454.22128	1.8
467.18542	1.5
495.18021	2.5
513.19043	100.0
513.26392	8.4
514.19312	6.5
514.26154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04284	1.4
53.03930	2.6
55.05504	16.8
57.03429	2.4
69.03423	5.1
70.29746	1.4
71.04990	2.2
81.03413	6.8
83.04977	100.0
84.04522	1.7
85.02879	9.2
87.00832	4.7
91.05479	6.2
97.02898	6.6
99.04447	2.3
105.01868	3.0
105.07040	1.6
107.39587	1.6
109.02872	6.1
117.07011	4.5
119.08573	30.9
121.10126	2.3
127.03928	7.4
129.06979	2.0
130.04968	1.9
131.08560	2.4
135.08057	3.3
136.91263	1.6
139.96326	1.7
145.04932	2.2
147.08038	45.3
148.08365	1.7
149.09613	6.4
159.02892	2.7
163.07506	1.6
165.09090	10.4
191.07059	4.0
201.08820	1.8
213.09160	2.2
227.10696	5.9
231.10036	1.8
245.11795	3.9
247.13327	6.6
513.23096	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2542
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05515	6.1
57.03434	2.9
58.25674	1.8
65.03943	2.5
67.05500	10.2
69.03432	5.1
69.07069	7.8
70.06590	8.0
71.01339	1.8
71.42919	2.2
72.08167	2.5
79.05485	6.4
79.76353	1.8
81.03429	2.0
81.07063	11.8
83.04954	3.1
85.02898	13.7
85.06567	2.4
87.04485	2.1
91.05482	4.8
93.07063	17.3
95.04989	2.2
95.08618	5.8
97.06537	32.5
97.15305	1.8
99.08120	5.6
104.98441	2.5
105.07040	3.6
106.06525	2.5
107.08590	15.2
108.08116	100.0
109.07751	2.3
109.08443	44.8
109.10176	8.0
123.06805	4.3
123.11629	2.5
124.07600	18.1
125.07896	5.2
134.06006	9.1
135.06400	4.9
135.11662	9.8
136.07541	13.4
136.39679	2.3
137.07901	6.9
145.04990	2.4
152.07060	54.2
153.07413	25.2
153.12735	19.8
155.08974	2.3
171.13768	22.3
189.14978	2.8
222.37372	2.2
267.11029	2.0
312.76807	2.5
314.12277	34.3
315.12674	57.3
355.86975	2.4
427.19012	2.8
442.13049	2.9
469.20490	4.4
513.19183	28.7
514.15076	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	513.3037
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
53.13290	0.4
55.05499	0.6
57.07076	1.0
67.05521	0.3
70.06590	0.8
71.08627	0.4
81.07064	0.6
83.08613	0.3
86.06071	0.3
87.10027	0.3
88.07614	1.2
91.05480	0.4
93.07046	0.6
95.08616	0.5
102.09177	0.7
109.10291	0.4
170.57195	0.4
185.04189	0.6
185.20778	0.3
204.35704	0.4
256.26385	1.8
283.26367	1.7
284.26691	0.6
331.22955	0.3
461.89346	0.4
512.50439	2.9
513.30316	100.0
513.50391	2.5
514.30664	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	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.39584	2.5
55.05501	7.8
57.03435	5.6
57.07077	2.9
61.02914	17.3
63.22310	2.3
63.74256	2.2
67.05501	22.0
68.36227	2.5
69.03410	6.5
69.07060	9.6
69.89809	4.6
71.91441	2.5
73.02892	5.7
79.05483	32.3
81.03408	3.6
81.07050	23.9
81.59628	2.5
82.52602	2.3
83.08606	6.1
83.14927	2.3
83.36403	2.4
85.02911	13.8
91.03952	3.4
91.05474	23.8
93.07036	38.5
95.04959	4.9
95.08593	21.3
97.02906	7.2
97.10149	2.7
98.23425	2.6
99.08058	2.6
103.75003	2.5
105.07008	27.8
107.08583	24.4
109.06454	3.1
109.10148	7.3
117.07008	7.2
119.08572	27.7
121.06475	2.8
121.10147	18.5
123.11723	3.5
129.07005	5.8
131.08559	15.1
133.10121	23.4
135.11664	22.6
137.09639	2.7
143.08551	7.6
145.10112	16.3
147.08067	2.7
147.11662	24.5
149.09549	3.0
149.13248	13.3
150.47707	2.5
152.13434	2.6
155.08650	2.9
157.10110	6.1
159.11710	12.3
160.12170	2.9
161.13210	18.4
163.14877	6.3
167.73930	2.5
171.11682	6.9
173.13272	10.3
175.14722	11.8
185.13261	9.9
187.10863	2.6
199.14902	4.4
218.72757	2.5
231.17473	2.6
231.21049	2.7
241.19455	21.3
259.20541	48.4
260.21130	2.7
277.21655	7.2
307.20541	2.5
333.24173	7.7
349.23602	2.7
351.25253	100.0
352.25412	3.3
363.24976	3.6
417.26370	3.7
441.26151	5.5
495.29425	7.5
513.30652	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	514.2147
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
54.69630	0.5
55.01864	1.0
57.03417	1.2
61.02910	1.6
63.88161	0.5
66.92146	0.5
67.05495	1.2
69.03432	4.9
71.01346	0.7
71.04968	0.6
71.42050	0.6
73.02898	1.8
81.03406	1.2
85.02422	0.5
85.02904	9.0
87.04443	1.6
90.39800	0.5
91.03958	0.6
91.57938	0.5
97.02889	3.8
98.09618	0.5
98.97600	0.6
99.04453	0.9
109.02872	0.9
119.03532	1.8
121.05138	0.6
127.03903	2.3
131.28709	0.5
135.06696	0.8
136.06178	100.0
137.04642	1.2
137.06583	0.9
143.02730	0.6
145.04926	0.8
148.06128	4.4
159.06668	2.5
173.08253	1.2
175.09818	1.0
178.07301	0.8
185.08212	13.5
185.09723	0.9
187.08603	0.8
188.37891	0.5
202.08946	0.8
202.09525	0.4
202.10867	25.5
220.11925	66.2
221.12221	1.5
268.10620	0.9
352.16187	5.6
382.17184	67.0
383.17300	2.6
514.21338	30.4
515.21564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.7
57.05500	0.7
67.05500	1.1
84.70712	0.7
97.96807	1.4
98.09728	0.9
102.92597	3.1
115.97829	0.8
116.10727	1.4
118.92080	3.4
123.01289	0.9
128.98592	1.6
136.92039	1.2
136.93108	20.9
146.99664	1.0
154.94159	42.8
161.97194	2.0
172.95226	59.2
174.94698	0.9
177.95975	1.0
179.97217	1.5
190.96268	19.3
192.95773	2.7
195.96861	3.5
197.98421	4.3
210.96756	19.2
211.07628	1.0
212.08301	1.1
212.98332	1.7
215.99458	2.3
227.06993	2.0
227.09309	0.8
228.97838	30.2
230.99594	1.0
233.98332	0.9
246.98930	4.1
251.99461	1.1
253.08690	2.7
281.58136	0.8
315.16357	1.5
317.17838	26.1
318.18069	1.0
333.17346	2.0
335.18832	11.2
351.18396	0.9
358.20630	1.8
397.14508	3.2
452.88416	0.9
453.17126	61.9
454.17441	1.8
471.18286	100.0
472.18692	5.0
479.15131	1.2
494.19748	9.9
514.23315	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	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37695	1.5
53.03943	1.5
55.05508	13.3
56.95422	1.2
58.33733	1.2
62.96031	1.3
67.05544	1.6
67.22465	1.3
69.03395	3.3
69.07062	5.4
70.06597	2.5
71.05006	1.9
71.42920	1.6
79.05486	1.8
81.03422	2.8
81.07053	8.7
83.04978	100.0
85.02912	6.9
87.00827	2.7
89.03899	2.0
91.05491	2.1
93.07004	2.0
95.04932	1.6
95.08574	1.8
97.02888	5.4
99.60551	1.8
105.01887	2.2
105.07030	2.4
107.63944	1.4
109.02885	4.3
109.06497	1.6
111.11728	3.1
119.08585	1.5
121.06506	1.9
123.07998	1.7
127.03909	4.8
129.12756	3.0
149.09579	2.2
163.03889	7.3
164.04248	2.4
173.09641	1.8
175.03928	2.0
185.13205	1.9
191.41115	1.6
198.10271	2.0
207.06477	2.6
213.12836	4.0
215.16475	2.2
231.13739	14.7
351.21234	12.0
352.21695	25.7
514.27136	29.5
515.27454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	28.4
59.04966	8.9
60.06886	7.2
69.03423	29.7
70.26843	16.7
70.57449	7.2
76.26196	6.8
80.48711	6.5
80.94861	8.4
81.03420	24.4
83.42086	7.4
85.02911	64.8
85.06534	24.1
87.00818	21.4
93.84298	7.4
97.02894	26.1
105.01858	26.6
105.07067	22.2
109.02875	17.0
112.07610	18.6
118.85076	7.8
119.08604	37.2
122.22485	7.1
124.03957	29.5
127.03914	50.2
145.04973	26.1
145.06461	7.2
147.08051	51.1
159.02885	11.2
159.08105	9.6
163.07486	8.7
175.07544	12.8
185.13188	8.4
189.12753	18.3
203.14160	9.7
213.12724	10.5
231.04898	9.1
231.13792	100.0
358.85489	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	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
57.07061	3.0
59.04993	1.1
61.02925	2.1
67.05499	8.8
69.03413	4.0
69.07065	9.6
71.04986	1.0
71.24108	1.0
73.06552	0.9
74.41944	1.0
79.05496	5.1
81.03407	1.6
81.07051	100.0
82.07390	1.9
83.08629	1.5
85.02900	28.5
85.06528	5.9
90.65607	1.0
91.03980	1.0
93.07040	2.7
95.08599	39.0
97.02883	6.3
97.06533	1.5
97.10136	1.5
99.04457	1.1
99.08058	1.9
105.07008	1.1
107.08564	1.2
109.02863	2.3
109.10145	2.4
111.11704	8.5
123.11710	1.2
127.03910	6.5
134.68094	0.9
137.13246	58.1
138.13562	0.9
145.04932	12.1
149.13330	1.0
155.14284	14.7
163.05968	6.8
239.16434	1.4
263.16281	1.4
325.11191	1.6
350.65289	1.2
514.18994	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	515.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11239	0.7
56.96560	15.6
67.53316	0.7
70.06588	1.7
71.42773	0.8
79.05517	0.8
83.04980	2.7
84.96032	5.3
85.02930	1.5
98.97578	38.9
100.11304	0.8
110.97555	14.5
110.98282	1.0
112.99149	2.7
116.98613	12.8
117.07004	1.0
122.02744	0.9
124.99143	1.1
126.97075	1.3
128.98601	12.6
131.00142	2.9
134.99667	2.5
135.08078	1.0
140.98543	3.9
143.00146	6.1
144.98120	2.5
146.99663	6.6
147.08125	1.0
149.01157	1.3
152.29637	0.8
152.98590	1.5
158.99648	7.9
161.01228	5.6
161.02650	1.2
162.99176	1.4
165.09175	1.0
170.99614	5.2
173.01259	1.4
177.00732	9.1
177.02147	1.5
179.02254	1.1
179.03773	18.3
189.00714	3.6
191.03807	1.6
195.01753	1.1
197.04836	10.1
201.00659	3.7
203.03723	1.9
207.03299	1.7
219.01749	25.2
221.04854	16.1
229.12230	1.4
233.04796	1.5
237.02805	40.3
239.05898	3.7
245.04823	0.8
247.13264	1.6
249.04486	1.0
255.03853	2.2
257.04807	1.0
260.04553	1.3
263.05936	6.6
275.05951	1.6
323.07980	35.6
324.08377	0.9
341.09067	26.9
342.09705	0.9
366.06760	0.8
389.55060	1.0
455.12219	100.0
456.12595	4.1
463.42004	0.9
473.13205	1.8
497.18719	0.9
515.18860	1.3
515.37830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.8
69.19348	5.7
84.49779	0.9
85.02899	1.5
91.05478	1.4
95.04964	1.2
95.08597	1.7
98.22700	2.0
105.07005	1.6
109.02943	0.9
116.22623	0.8
119.08568	1.2
127.03886	1.4
131.08565	1.6
131.25299	0.8
145.06474	2.4
145.10167	1.1
156.09431	1.0
159.08089	1.5
159.11676	1.0
165.06999	1.6
166.07721	2.4
170.03395	2.1
171.08009	1.2
184.08786	2.1
185.04187	1.0
199.11211	3.5
203.05273	2.5
209.09747	1.2
212.08347	1.6
221.61238	0.9
227.05403	1.5
227.10590	4.6
229.12289	1.4
243.04796	3.2
245.06332	7.2
249.08919	1.6
251.10435	2.9
265.08337	1.5
266.08932	1.5
267.09970	4.7
271.04269	1.6
287.03714	21.0
289.05261	100.0
290.05728	1.6
353.23071	2.6
429.15228	3.3
471.16229	30.8
472.16431	1.3
487.51456	1.0
515.15192	84.8
515.27905	3.8
516.15601	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30780	0.3
55.05528	0.3
55.15731	0.3
55.73661	0.3
57.07069	0.4
67.05492	0.6
67.65791	0.3
69.07082	0.4
69.75226	1.2
74.26749	0.3
81.07054	0.5
82.99108	0.3
83.08627	0.3
91.05479	0.3
93.07082	0.4
95.08622	0.5
154.28667	0.3
172.20087	0.3
239.08058	0.3
301.20944	0.3
313.27277	1.5
502.52216	0.3
515.31873	100.0
516.32184	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	515.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.92948	0.4
65.18433	0.4
67.05498	1.6
69.07056	0.8
71.08625	0.4
79.05490	0.9
81.07053	1.8
91.05475	1.3
93.07020	1.5
95.08601	1.3
102.09186	0.4
105.07039	1.4
107.08630	0.6
109.10086	0.4
117.07018	0.4
119.08572	0.4
129.07036	0.5
131.08536	0.6
133.10120	0.5
143.08495	0.7
145.10129	0.8
147.11673	0.6
155.08577	0.4
159.11493	0.6
185.04309	0.5
203.05254	0.9
259.07858	0.6
312.26190	0.6
313.27255	0.6
318.20035	0.4
319.45209	0.4
423.32306	0.6
497.36557	0.5
502.65198	0.4
514.50623	0.4
515.31799	100.0
516.32281	4.0
543.65747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
55.05505	17.3
56.38668	3.9
57.03451	8.1
61.02913	5.6
67.05502	89.8
69.03413	7.1
69.07052	16.5
69.13050	27.1
79.05484	48.8
81.07054	100.0
83.04977	6.0
83.08622	8.2
85.02902	6.9
91.05459	30.3
93.07036	59.4
95.04959	7.0
95.08601	65.1
97.02851	5.0
97.10126	5.5
98.09678	10.3
99.08080	4.7
105.07030	24.6
107.08585	41.0
109.10154	37.3
112.99986	4.2
117.07080	7.7
119.08557	17.5
121.10139	34.4
123.08123	5.1
123.11713	15.2
125.09582	4.6
131.08533	18.7
133.10149	19.8
135.11682	22.0
137.13231	7.7
142.45926	3.6
145.10081	16.2
147.11662	14.5
149.13225	22.4
151.14734	3.5
154.94093	4.1
159.11693	13.8
161.13231	11.6
163.11090	3.9
163.14806	13.8
173.13239	15.1
175.14764	4.7
177.16406	7.1
187.14792	11.5
201.16310	3.9
243.21111	27.0
256.08865	4.1
261.22110	74.7
279.23300	6.7
335.25766	27.4
353.26700	14.0
486.27966	4.9
498.39658	3.9
515.33221	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25401	2.5
55.05508	24.3
57.03438	6.7
57.07069	4.4
58.55330	2.9
60.74641	2.8
65.03941	3.0
67.05505	94.8
67.28617	3.1
69.03422	5.9
69.04560	3.8
69.07063	15.1
71.05003	6.0
71.45649	4.1
79.05490	54.9
81.03447	4.3
81.07054	100.0
83.04972	5.6
83.07384	3.1
83.08635	6.7
85.02930	4.1
85.06572	3.6
91.05485	35.4
93.07048	68.5
93.07610	5.2
93.30582	2.8
95.05001	9.6
95.08597	64.9
97.06534	6.7
97.10140	5.3
98.09682	22.3
99.08079	3.3
99.10036	7.2
105.04526	3.3
105.07034	27.9
107.08593	45.8
109.06521	5.1
109.10159	39.5
113.09695	3.4
117.07015	13.5
117.33104	2.7
119.08549	21.7
121.10146	42.6
123.08051	3.7
123.11691	17.3
129.07001	9.0
131.08563	30.9
133.10115	21.1
135.08139	3.1
135.11700	36.0
137.13255	6.7
145.10146	19.0
147.11647	16.2
149.13245	23.5
151.14757	3.1
157.04149	2.8
159.11682	16.7
161.13263	12.7
163.14838	12.8
173.13336	14.7
175.14803	5.0
187.14850	11.6
205.15871	3.9
225.09177	4.0
233.22763	3.4
243.21072	27.5
261.22131	85.3
279.23196	4.9
311.55499	2.8
335.25662	16.0
342.12936	2.7
352.42953	3.6
353.26865	12.1
369.24066	3.2
423.57541	3.1
439.95450	3.1
443.28671	3.1
456.11478	3.1
497.15222	3.0
515.33014	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74360	4.1
55.05511	21.7
57.03433	8.5
57.07057	8.3
64.56157	4.5
65.03919	3.8
67.05508	86.5
69.03419	9.3
69.07069	21.7
69.76338	6.9
69.76731	7.8
75.87309	3.6
79.05497	65.8
81.03423	8.1
81.07061	100.0
83.04951	4.7
83.08615	8.6
84.08141	8.3
85.02873	6.6
91.05473	35.5
93.07048	71.7
95.04944	12.1
95.08607	70.7
96.08975	5.0
97.02864	3.9
97.06527	5.0
97.10161	6.4
97.82246	4.0
99.08094	4.3
101.29806	3.9
105.07040	30.0
107.08588	50.7
109.06472	4.2
109.10158	35.9
117.07014	9.5
119.08605	28.1
121.10142	44.6
123.11693	15.8
129.07013	8.6
131.08574	26.0
133.10121	15.8
135.08051	5.3
135.11700	31.4
137.13268	4.1
143.08566	7.3
145.05109	4.4
145.10123	27.9
147.11639	9.9
149.13260	22.8
156.61543	4.3
157.10089	9.0
159.11714	26.9
161.13246	14.0
163.14795	14.2
171.11612	8.0
173.13219	21.9
187.14795	11.1
243.21150	23.9
261.19540	6.2
261.22128	78.8
262.01053	4.4
335.25879	13.0
353.26767	15.6
369.24359	4.9
419.28021	5.3
432.32578	4.6
449.83066	3.8
461.28717	7.1
497.30661	5.5
515.24048	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17513	3.2
55.05508	22.2
55.48282	3.3
57.03416	9.9
60.48162	2.6
61.02925	7.2
65.03934	3.7
67.05506	97.0
69.03432	8.0
69.07067	22.3
69.72074	10.8
71.05003	5.6
72.23515	3.0
73.02921	3.3
79.05497	60.2
81.03407	7.3
81.07060	100.0
83.08611	11.0
85.02905	10.9
91.03938	4.7
91.05476	36.2
93.07047	66.3
94.07388	3.4
95.04935	8.6
95.08610	76.1
97.02896	6.5
97.06536	3.9
97.10149	4.1
99.08081	6.0
105.07050	31.2
107.08591	33.0
109.06532	5.1
109.10154	41.0
109.54847	3.3
111.08064	5.7
113.00048	3.8
117.07018	16.2
119.08583	22.0
121.10146	40.4
123.11698	16.3
129.07025	5.1
131.08591	26.3
133.10104	20.8
135.08052	3.3
135.11693	31.4
137.13239	9.4
139.11223	4.6
142.49944	3.2
143.08501	4.1
145.10094	21.2
147.11678	13.6
149.09657	4.4
149.13242	20.7
151.14827	3.5
157.10257	3.9
159.11673	16.4
161.13264	13.5
163.14796	10.0
171.08118	3.7
171.11549	5.6
173.13277	13.4
175.14832	4.7
187.14789	9.6
201.16283	3.6
220.25772	3.1
224.65646	3.1
227.59731	4.0
243.21147	19.2
254.05252	3.5
261.22116	67.5
301.21664	4.3
303.23041	5.3
317.24768	5.1
335.25763	21.9
353.26849	13.8
369.24207	4.2
419.27740	5.0
427.63550	4.1
488.83704	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	516.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01878	1.1
62.52013	0.9
66.91369	1.0
69.03429	2.9
69.53857	4.1
81.03403	3.5
81.07045	1.1
82.73752	0.9
83.04970	1.3
85.02905	6.6
87.00835	2.7
87.04464	2.3
91.05496	1.9
93.07013	1.7
95.08588	1.4
97.02887	5.1
98.22749	2.2
99.04429	1.8
105.01226	1.0
105.01861	4.0
105.07015	2.2
107.08593	2.9
109.02885	2.6
117.07005	2.5
119.08616	3.1
127.03911	5.7
131.08530	1.7
135.08047	4.0
145.06494	1.3
145.10127	1.9
147.08090	1.8
159.02913	1.7
159.08038	100.0
159.11633	2.8
160.08372	3.0
161.06035	1.0
187.11201	4.9
187.14818	1.9
201.09079	2.2
215.10696	2.1
215.14375	1.9
225.09015	1.7
231.05028	1.5
233.11702	32.3
233.15233	7.3
239.81328	1.3
267.10175	1.5
275.12683	1.4
321.40329	1.1
472.22388	1.6
515.48413	1.2
516.21649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42395	2.4
55.05502	7.8
57.07073	4.6
60.82154	2.6
67.05492	3.5
69.22766	13.9
80.32873	3.0
83.04973	38.7
83.08620	2.7
87.04457	5.8
89.06031	7.3
91.05474	4.9
93.07037	2.8
103.52204	2.7
105.07010	4.7
109.02914	5.0
117.07017	4.1
121.06510	7.5
133.10100	20.9
142.07762	3.1
143.08568	5.0
145.06479	6.7
149.09602	6.4
156.09303	3.7
165.07088	3.8
165.09082	5.1
169.06583	3.7
171.07997	5.5
183.08052	7.1
183.44484	2.8
184.08757	4.3
185.09546	5.7
189.11311	3.6
199.07536	9.2
199.11153	4.1
206.12309	2.8
209.09602	4.9
211.07582	9.0
212.08369	7.9
213.09160	3.0
225.09123	7.8
227.10718	11.7
238.09857	11.2
243.10199	9.5
247.70042	2.9
255.10129	100.0
256.10507	5.5
331.26367	3.4
359.20700	4.2
408.37177	3.0
455.44986	3.4
467.18570	23.2
485.19724	4.6
541.12598	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	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01841	3.0
55.05501	5.2
57.07074	99.9
57.67538	1.8
58.22477	1.7
69.03410	6.7
70.66313	3.0
72.35767	1.7
72.91777	1.8
73.02895	1.7
79.05489	3.6
81.03409	5.6
81.07053	25.1
83.04980	57.0
85.02912	15.5
85.06539	100.0
85.42299	1.9
87.00817	5.2
91.05482	5.0
93.07001	2.9
97.02895	5.4
98.22701	1.8
99.04428	3.6
105.01859	6.3
105.07025	4.3
107.08600	2.1
109.02864	7.0
109.06517	10.3
119.04980	2.1
119.08549	4.7
121.10152	2.1
125.09595	3.4
127.03887	11.4
131.08553	8.1
133.10149	2.3
141.09062	2.4
145.04922	3.6
145.10065	2.3
149.09608	16.3
159.02867	3.1
159.08073	2.0
167.10637	3.7
177.09149	2.7
187.14940	2.0
213.03978	2.1
215.14307	13.1
219.74428	2.0
231.05052	2.7
233.15317	36.2
251.16342	5.6
253.11984	2.0
269.11557	3.7
289.05725	1.7
419.44568	1.8
431.16681	3.2
436.39001	2.2
473.17770	29.0
517.16821	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.2
53.03955	2.8
55.01870	4.8
55.05513	8.3
65.03956	3.1
65.90637	1.8
67.05505	10.6
69.03429	13.7
69.07066	6.0
69.86689	6.1
71.04991	12.9
79.05489	23.9
81.03412	6.9
81.07063	7.2
83.04987	8.3
85.02909	12.5
86.74350	2.0
87.00839	6.9
90.89864	2.0
91.05476	51.4
93.07046	21.1
95.04971	18.0
95.08611	5.6
97.02908	5.8
97.17743	2.0
99.04445	4.4
100.26212	2.0
103.05471	4.9
105.01871	7.3
105.04533	5.7
105.07025	58.1
107.04937	4.2
107.08575	12.9
109.02908	5.5
109.06547	3.2
109.10175	6.6
111.04456	8.4
115.05479	4.2
117.07021	23.1
118.92860	2.2
119.04988	2.9
119.08573	100.0
121.06510	8.4
121.10138	11.4
123.08070	9.4
127.03893	10.7
128.06236	8.4
129.07022	6.2
130.07794	3.2
131.08566	21.2
133.06494	2.1
133.10117	33.9
135.08054	7.9
135.11676	2.6
137.09587	21.0
141.07002	2.8
142.07790	8.0
143.08568	14.2
145.04921	3.3
145.06511	6.1
145.10109	26.1
146.07269	5.2
147.08073	6.5
147.11690	5.6
149.09607	8.4
151.07600	3.3
155.08566	4.5
156.09363	7.9
157.10143	7.3
159.02948	4.6
159.08083	4.6
159.11725	5.8
161.09608	27.3
163.11212	5.4
165.09094	15.2
171.11699	11.4
173.09616	7.0
173.13353	6.2
187.14812	12.1
189.12685	9.5
191.14301	5.2
197.13272	5.9
201.12727	5.3
205.15933	2.8
215.14311	11.7
231.05042	3.9
233.15320	12.6
419.37317	1.9
472.19366	2.6
516.18024	3.4
517.16681	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	516.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39781	1.7
70.95860	0.3
84.75185	0.3
94.55758	0.3
100.67673	0.3
125.80914	0.3
131.08473	0.3
133.04884	0.5
165.03848	0.4
167.84808	0.3
172.09517	0.4
177.63342	0.4
191.05525	1.5
195.91174	0.3
204.06288	7.9
205.05042	0.5
205.06961	1.7
218.07744	1.0
219.08607	0.9
221.49097	0.4
233.64157	0.4
246.07285	0.8
264.05765	0.3
264.08395	4.8
269.11343	1.8
276.12027	0.9
288.12061	2.7
302.13507	0.9
330.12881	1.7
332.14609	7.6
333.25061	0.3
382.19803	2.1
400.20627	0.6
420.21277	0.6
428.24261	0.5
431.16687	0.6
438.22498	12.6
438.48141	0.3
439.22910	0.7
456.23529	100.0
457.23779	4.0
463.96863	0.4
473.17728	4.1
498.24521	0.4
516.25677	19.5
517.16791	5.7
517.25104	0.7
517.37427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.9
53.03936	1.3
55.05506	27.0
55.21680	0.9
56.70320	0.9
57.03424	1.0
57.07071	22.5
61.02919	2.0
69.03424	4.4
69.07063	24.7
69.78423	1.7
69.78777	3.0
70.06590	14.1
71.08635	6.4
81.03414	1.5
81.07060	5.9
83.08613	100.0
84.08949	1.4
85.02897	21.7
91.03950	1.1
97.02907	4.9
97.10167	20.9
98.23392	1.4
99.04478	1.5
104.05297	1.1
104.58781	0.9
112.07599	6.9
113.13242	1.0
120.57721	0.9
127.03915	4.7
139.14825	2.8
145.04964	8.1
157.15868	52.4
163.06001	3.2
175.16924	64.5
176.17288	1.0
358.07700	1.0
498.25537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62173	0.3
55.05529	0.3
56.05034	1.2
69.07067	4.4
69.77362	1.2
70.06585	1.2
72.08142	0.6
74.06077	3.1
86.09699	100.0
87.10033	1.0
98.06023	0.7
98.22811	0.4
112.07589	0.4
116.07088	1.0
126.05501	5.6
137.05968	0.4
144.06546	0.6
157.13367	4.5
163.03989	0.3
166.10316	0.3
177.05476	0.4
185.12868	3.5
189.12340	1.3
195.11375	0.5
201.66968	0.3
211.14474	1.1
239.13892	17.4
240.14214	0.3
257.14954	14.8
258.15366	0.5
260.16034	1.0
300.19156	1.1
328.18622	24.3
329.19052	0.9
333.03766	0.3
373.24188	0.3
441.27158	0.6
466.06491	0.4
515.28644	0.4
516.32465	0.5
526.32440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24878	4.7
55.05503	15.0
57.03450	6.2
58.99591	7.9
67.05502	53.2
69.07071	8.0
79.05502	22.4
81.07050	54.0
83.04996	8.0
83.08625	15.3
86.99061	5.8
91.05486	17.6
93.07056	29.8
95.08616	33.2
97.06528	9.3
105.07039	7.9
107.08600	21.6
109.10152	15.0
111.08103	5.4
116.01714	18.7
117.07050	10.0
118.79227	6.0
119.08596	8.0
121.10152	15.1
123.08064	7.0
124.03948	6.3
131.08563	7.5
133.10126	11.1
135.11746	5.3
144.01155	5.6
149.13342	9.2
151.14865	10.3
155.73161	6.2
162.02238	16.9
177.12775	22.4
179.14331	23.2
180.14651	16.7
184.98721	5.3
195.13840	13.9
213.14926	8.1
251.16499	10.7
269.17526	100.0
355.18869	9.8
433.20596	6.5
463.30710	10.2
516.29205	20.8
517.27789	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45966	0.3
57.03446	0.4
58.26902	0.3
69.57212	1.6
69.57892	0.3
73.02903	0.9
83.17645	0.4
85.02898	0.6
91.12590	0.4
98.88850	0.4
107.82888	0.4
108.80292	0.3
118.22042	0.3
119.01168	0.4
127.55782	0.4
155.03152	1.3
163.03885	1.0
171.99573	0.4
185.04239	0.5
200.99544	0.4
203.05254	2.4
223.05789	0.6
241.27977	0.4
275.07480	0.6
285.09390	0.9
317.08344	3.1
335.09448	18.2
371.04498	0.6
385.06161	0.4
385.11029	8.0
417.13614	2.2
447.14832	0.6
517.15222	100.0
518.15436	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	517.1681
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
50.68155	0.7
83.04954	0.8
105.78278	0.6
213.12750	1.9
229.01088	0.6
229.12318	0.8
231.97244	0.6
243.04756	1.3
245.06276	1.5
251.10341	3.2
253.12004	2.1
269.11465	7.5
287.03668	1.4
289.05319	1.2
352.69046	0.6
413.15866	0.9
431.16785	6.6
455.16977	0.8
473.17807	51.7
474.18149	2.0
517.16785	100.0
518.17163	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	517.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32572	0.7
62.82264	0.6
67.05477	1.0
70.02309	2.4
74.86246	0.7
79.05481	1.3
81.07061	1.2
83.04993	1.7
85.02905	1.6
87.00825	1.1
87.59863	0.8
91.05481	1.1
93.07052	1.9
95.04959	1.3
95.08603	1.0
98.46902	0.8
105.07022	1.8
107.08578	1.1
119.08562	2.0
121.06490	1.0
121.10158	2.4
131.08574	1.3
138.61859	0.8
145.10114	1.7
147.04404	1.1
159.08109	0.9
159.11684	1.7
160.12036	1.1
165.55670	0.7
175.07545	0.8
183.11671	0.7
187.14856	2.0
188.15189	3.2
209.18472	0.7
213.12762	1.1
227.05235	0.9
229.12561	0.7
234.15756	0.8
243.04774	1.3
245.06360	1.8
251.10468	2.2
253.11975	1.2
269.11377	6.5
287.03787	2.7
289.05225	3.2
290.05750	0.9
291.05688	1.3
297.10898	1.5
336.11914	0.7
413.15582	0.9
431.16794	9.9
455.16727	1.2
473.17822	63.3
474.18246	4.0
499.16632	0.8
517.16797	100.0
518.17236	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	517.1683
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
51.74712	0.5
54.68064	0.5
58.23864	0.5
61.55556	0.7
74.90107	0.6
95.85566	0.6
129.13130	0.5
131.48122	0.6
185.05708	1.3
194.22366	0.6
213.12631	0.5
213.58792	0.6
229.61302	0.8
251.10408	1.0
253.11998	1.1
269.11478	22.4
270.11865	0.8
287.03265	0.6
297.10947	2.5
413.15640	0.7
431.16730	9.1
473.17831	61.6
474.18210	3.7
517.16803	100.0
517.37360	2.4
518.17120	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	517.1681
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
50.45491	0.7
55.57798	0.8
57.43281	0.7
62.62099	0.7
70.39735	0.9
70.40097	1.5
83.04977	1.1
85.48602	0.7
93.07012	1.1
95.39378	0.7
121.10139	1.8
177.05515	1.6
255.65285	0.8
269.11392	7.0
271.52420	0.8
287.04172	1.1
297.10892	5.0
331.11551	1.0
331.90399	0.9
349.12500	6.9
391.13583	8.6
400.47998	0.9
413.15799	0.9
431.16718	15.6
435.12683	5.8
473.17798	70.8
474.18253	3.5
517.16760	100.0
518.17084	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	517.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
69.78605	0.6
71.20261	0.8
71.52780	0.7
73.23453	0.7
83.04964	1.2
91.05488	1.0
105.06973	0.7
175.07602	0.7
185.05673	0.6
213.12770	1.6
245.06508	1.2
251.10472	1.4
253.12053	1.5
269.11499	7.6
287.03796	1.9
289.05240	0.9
297.67068	0.7
349.12582	0.8
391.14008	0.7
413.15942	1.0
431.16788	8.7
455.16800	1.4
473.17825	60.2
474.18137	2.7
516.35724	1.8
517.16797	100.0
518.17261	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	517.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
55.67362	0.8
63.80481	0.7
65.03946	0.9
67.05534	1.0
69.03423	10.4
69.87563	2.7
82.04184	3.1
83.04085	0.8
83.04931	1.0
85.73599	0.8
91.05481	3.1
95.04954	3.1
97.02892	8.6
98.22787	1.2
99.04447	1.5
103.05526	0.8
105.07050	4.3
106.38342	0.9
109.02875	4.8
113.00007	1.9
115.05445	3.4
117.07017	2.2
121.06512	2.1
121.22661	0.8
128.06166	3.9
129.06998	3.1
132.05739	2.0
133.06465	3.3
135.04410	2.3
141.06992	1.4
142.07777	4.3
142.28409	0.9
143.08548	3.2
145.06480	11.1
146.07159	1.0
147.04395	1.0
147.08047	1.3
153.06999	2.0
154.07750	1.1
155.08524	2.5
156.09276	1.6
157.10155	1.4
158.07274	2.5
159.04425	0.9
159.08044	4.6
160.05153	4.3
160.39145	0.8
161.05978	9.4
165.06978	1.4
166.07712	1.8
167.08508	1.3
168.05698	2.9
169.06439	1.8
169.10155	1.0
171.08067	8.7
172.08806	1.3
173.05954	2.9
179.08549	1.1
181.06512	1.2
182.07259	5.2
183.08044	8.0
184.08904	2.0
185.05991	2.9
185.09575	7.6
186.06720	8.6
187.07532	5.0
195.08049	5.5
196.08820	2.8
197.06003	1.0
197.09602	11.3
198.06752	3.7
199.07526	61.3
199.11217	2.7
200.08272	8.4
201.09116	8.5
209.05997	1.0
209.09637	3.8
211.07524	6.8
212.08324	17.4
213.09097	31.0
214.09874	8.1
215.10605	5.2
223.07590	2.1
224.08177	1.5
225.09094	44.1
226.09805	4.6
227.07062	13.9
227.10571	6.7
228.07813	1.2
229.08592	3.5
236.08311	1.0
237.09087	2.1
238.09854	3.1
239.07031	3.6
240.07784	1.1
241.08530	5.1
242.09360	100.0
243.10097	13.7
249.09094	2.3
251.06865	1.1
253.08571	3.7
255.10153	24.0
256.10544	1.1
260.10416	5.2
261.11237	1.9
265.11993	0.9
273.11243	1.0
283.11002	1.1
286.09872	1.8
296.11963	1.3
299.10703	1.9
307.11011	1.1
312.11353	1.7
313.12244	3.3
315.09991	2.4
317.11676	1.1
323.10672	2.3
325.08572	0.9
325.12061	1.5
327.10226	1.2
327.13785	1.4
328.10870	1.3
328.14523	1.5
337.12119	1.6
339.12378	5.6
341.11728	4.7
342.12552	1.5
350.12784	0.9
351.13727	1.4
352.10770	1.5
353.11621	3.6
355.13235	10.2
356.13852	3.1
357.14276	2.1
363.13742	1.1
365.11646	1.7
366.12793	1.3
367.13220	2.8
368.13950	1.9
369.14890	1.1
379.13239	1.1
381.14923	1.1
383.12665	4.8
384.13559	7.5
385.14142	2.0
392.14417	1.3
395.12811	2.4
397.13715	1.1
402.14560	1.3
403.15308	1.0
405.29974	2.1
407.16641	1.3
409.14212	2.2
411.12418	1.1
423.15884	2.5
424.16391	2.1
425.17941	1.1
432.61230	1.0
435.15866	3.8
452.16132	18.5
453.16806	13.0
463.15540	7.4
471.17990	2.0
481.16479	62.1
482.16772	4.0
496.67752	1.2
499.17508	58.9
500.17676	3.0
517.18353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79506	0.9
53.03938	1.2
55.01858	1.6
55.05507	1.7
57.79070	0.9
63.51201	0.9
64.05616	1.1
66.25382	0.9
67.05491	2.0
69.03423	9.8
69.14107	1.0
69.81342	3.3
71.07391	1.3
79.05482	1.9
81.07041	3.0
82.04194	1.4
86.09705	6.4
91.05473	3.4
92.52790	1.0
95.04946	4.2
97.02886	9.0
104.10738	9.3
105.07021	5.2
109.02868	3.7
109.06506	1.6
111.80590	1.1
113.00011	13.8
115.05425	4.9
117.06995	2.2
119.08598	1.4
121.06491	3.1
123.08037	3.1
124.99986	3.1
128.06209	4.5
129.06982	2.6
132.05688	3.4
133.06491	2.0
135.04388	1.7
135.08028	1.9
141.06985	1.4
142.07761	4.0
143.08517	3.1
145.06480	13.2
145.10127	1.4
147.08003	2.0
147.11615	1.1
152.06230	1.5
153.06981	1.6
154.07800	1.8
155.08502	1.7
156.09364	1.4
157.10112	1.2
158.07269	2.8
159.04440	2.1
159.08069	5.0
160.05209	4.8
161.05949	6.1
165.06879	1.9
166.07765	1.5
167.08521	1.3
168.05681	2.2
169.06494	2.0
169.10065	1.3
170.07263	1.4
171.08041	8.5
172.08853	1.6
173.06000	2.1
175.22731	1.2
175.70889	1.1
179.14279	3.1
181.06516	1.8
182.07329	5.2
183.08012	7.6
184.05576	1.3
184.07318	8.4
184.08734	1.5
185.06003	3.4
185.09599	7.7
186.06758	8.8
187.03802	1.3
187.07475	5.7
195.08009	5.2
196.08725	1.9
197.09596	11.2
198.06755	2.2
199.07523	62.9
200.08278	10.2
201.09094	7.6
209.09610	3.7
211.07539	7.6
212.08305	17.7
213.09073	28.1
214.06360	1.3
214.09854	6.5
215.10670	5.2
219.08174	1.1
223.07492	1.9
225.09079	38.2
226.09819	5.0
227.06966	13.3
227.10439	5.6
228.07759	1.6
229.08501	3.6
237.09093	2.3
238.09834	2.7
239.06953	3.1
240.07880	1.8
241.08563	4.3
242.09355	100.0
243.10022	11.6
249.09100	2.3
253.08539	2.4
255.10135	21.2
260.10413	4.7
261.11221	2.7
262.09818	1.3
269.09729	1.7
273.11221	2.6
286.09940	1.3
289.12372	1.3
296.11810	1.3
298.09863	1.4
299.10675	1.8
300.11237	1.3
312.11441	3.8
313.12131	2.2
315.10034	2.2
325.12244	3.1
327.10107	1.6
328.10977	2.3
328.14392	1.5
331.26251	5.5
337.12198	1.8
339.12454	5.1
341.11621	4.1
342.12418	2.0
349.12436	1.2
349.27454	1.2
352.10928	2.1
353.11722	3.4
354.12073	1.3
355.13275	10.0
356.13980	2.7
357.14627	1.9
365.11710	1.8
367.13153	3.2
378.12024	1.5
382.12158	1.4
383.12799	4.5
384.13553	7.3
385.13861	1.6
393.14825	2.0
401.13922	1.6
405.29984	7.1
407.16675	2.0
409.14417	2.1
411.12207	1.7
423.15765	3.7
424.16324	2.9
425.17395	2.1
435.15808	4.2
452.16284	15.3
453.16925	12.4
463.15445	7.1
481.16446	57.0
482.16846	2.1
491.35666	1.1
499.17459	45.8
500.17538	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	517.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01869	1.4
55.05499	3.8
57.03431	1.5
57.07081	1.1
59.48216	0.8
67.05497	3.7
69.03423	9.7
69.07065	2.6
69.67897	0.9
70.11897	0.8
79.05488	3.3
81.07055	3.9
82.04190	2.5
83.00380	1.1
83.04973	1.7
83.08620	2.0
91.05483	3.6
93.07043	4.7
95.04967	3.2
95.08601	3.3
97.02879	7.8
99.08070	1.7
105.07021	5.7
107.08600	4.1
108.25517	0.9
109.02895	4.3
109.06496	3.1
109.10142	1.5
113.00007	30.6
115.05431	3.7
115.54934	0.9
117.07005	3.8
119.08563	3.1
121.06480	2.6
121.10136	3.4
123.08063	7.6
128.06207	2.7
129.07010	4.2
131.08592	1.7
132.05690	3.5
133.06461	2.0
133.10115	2.4
135.04393	2.4
135.08047	3.7
141.06996	1.1
142.07771	2.8
143.08571	3.3
145.06458	11.9
145.10153	2.4
147.04420	1.4
147.08078	1.6
147.11642	1.3
152.06195	1.1
153.06992	1.7
154.07761	1.5
155.08583	2.2
156.09297	1.1
157.10095	2.0
158.07269	2.6
159.04401	2.1
159.08009	6.8
160.05194	3.5
161.05945	7.3
161.09557	1.1
165.06999	2.2
166.07724	1.5
168.05653	2.2
169.06461	1.1
169.10213	2.0
170.07269	1.1
171.08029	7.6
172.08742	1.1
173.06013	2.5
173.09651	1.2
175.14839	2.6
179.08502	1.4
179.14278	10.1
181.06479	1.3
181.10123	0.9
182.07256	6.3
183.08029	9.6
184.07359	1.4
184.08806	1.8
185.05949	2.7
185.09624	7.1
186.06735	9.8
187.03680	4.6
187.07469	4.5
188.08360	1.4
195.08026	3.9
196.08725	2.2
197.05925	1.9
197.09602	12.2
198.06802	4.2
199.07521	66.2
200.08249	9.7
201.09125	5.5
209.09587	3.6
211.07541	7.5
212.08301	16.9
213.09087	31.5
214.09839	8.4
215.10622	4.4
223.07457	1.6
225.09068	38.1
226.09816	4.7
227.07030	13.3
227.10564	6.6
228.07738	1.5
229.08592	3.7
237.09061	2.3
238.09892	4.0
239.07080	2.5
240.07727	1.2
241.08609	4.3
242.09352	100.0
243.10109	13.8
249.09097	2.1
253.08566	3.2
255.10139	30.2
260.10358	6.3
261.11224	1.7
262.09735	1.1
270.10776	1.0
272.08292	1.4
273.11322	2.0
286.09995	1.4
287.10516	1.1
289.21667	1.9
296.11819	2.0
299.10626	2.2
303.26694	1.2
312.11343	3.4
313.12195	2.8
315.10083	1.9
317.11295	1.1
323.10779	1.7
325.12372	1.2
327.13739	1.9
328.10995	1.9
329.11752	1.7
331.26242	15.4
332.85855	1.0
336.11697	1.4
337.12030	1.0
339.12280	4.4
341.11612	3.4
342.12274	2.3
349.12143	1.9
349.27295	2.6
352.10983	1.8
353.11548	4.8
355.13336	11.0
356.13858	2.1
357.14456	1.7
363.13602	1.3
365.11725	2.2
366.12485	1.4
367.13242	2.2
369.14932	1.5
369.27780	1.2
379.13040	1.4
381.14932	2.0
383.12817	4.6
384.13538	7.6
385.14249	1.9
387.28864	2.7
393.14957	1.5
395.12497	1.4
401.13776	1.3
405.29944	22.0
409.14380	1.6
423.16122	2.5
424.16385	1.5
435.15750	2.5
452.16171	15.5
453.16919	11.1
463.15506	8.9
470.16833	1.1
471.17828	2.0
481.16422	58.1
482.16721	4.1
499.17432	46.4
500.17752	2.7
517.18134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
67.05501	3.5
69.03432	6.4
69.07066	2.3
69.24255	5.6
69.24686	3.4
71.07370	5.2
72.30994	1.3
79.05482	1.9
81.07056	3.4
82.04188	2.1
83.04987	1.8
85.93203	1.3
86.09705	18.7
87.10040	2.4
91.05521	1.5
93.69576	1.2
95.04951	2.0
95.08608	2.5
97.02904	4.8
105.07024	3.7
107.08623	1.8
109.02854	2.7
113.00033	8.4
115.05457	2.2
117.07016	2.2
119.08603	2.1
121.06526	3.0
125.00027	5.5
128.06235	2.6
129.06973	2.6
132.05685	3.1
133.06451	1.7
142.07843	3.1
143.08607	2.5
145.06473	9.0
145.10139	1.7
155.08572	3.0
158.07281	1.8
159.08038	3.3
160.05254	3.9
161.05981	4.7
163.01550	4.5
171.08035	6.7
173.06140	3.0
179.14345	1.9
179.31410	1.4
182.07269	4.2
183.08083	4.7
184.07321	2.6
185.05934	1.9
185.09633	4.6
186.06804	6.3
187.03806	1.7
187.07501	1.9
195.08067	3.9
196.08902	2.0
197.09560	8.4
198.06689	2.3
199.07535	59.5
200.08272	8.2
201.09048	4.2
209.09625	3.1
211.07552	4.8
212.08325	13.3
213.09111	27.6
214.09900	6.3
215.10686	2.5
223.07469	2.0
225.09100	36.1
226.09801	3.9
227.07033	11.2
227.10699	5.2
229.08630	2.3
237.09064	1.5
238.09952	2.8
239.07300	1.9
241.08659	4.2
242.09364	100.0
243.10091	7.5
255.10144	24.1
260.10471	2.6
272.10913	1.6
312.38950	1.8
325.12180	2.7
331.26300	3.7
336.11414	1.7
339.12921	2.6
341.11618	3.9
353.11725	2.6
355.13239	7.5
357.14853	2.1
365.11597	2.9
367.13245	2.0
383.12939	2.8
384.13449	4.1
395.16830	1.7
405.29965	4.9
407.16241	1.5
435.15948	2.4
452.16068	8.1
453.16864	5.3
463.15482	5.7
481.16486	36.2
482.16351	2.3
499.17438	31.4
500.18402	1.8
516.34534	9.7
517.34698	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	517.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05511	17.5
57.03454	0.7
59.05001	1.8
67.05507	1.2
69.03423	2.1
83.04980	100.0
87.04489	0.7
91.05466	1.4
95.04983	0.9
105.07041	1.8
109.02868	1.5
109.06506	0.9
113.00037	2.8
115.05450	2.2
117.07014	2.1
119.08593	0.8
121.06520	1.3
128.06244	2.3
129.07021	1.5
133.06537	1.1
135.04420	1.2
141.06961	1.6
142.07794	1.4
143.08614	2.1
145.06479	5.3
154.07816	1.4
155.08559	1.0
156.09386	1.3
158.07327	0.7
159.04456	1.4
159.08081	2.6
161.05954	6.6
165.06978	0.8
166.07761	1.7
167.08583	0.6
169.06516	1.2
169.10204	0.7
169.67720	0.6
171.08063	2.9
171.11763	0.6
173.06032	2.7
174.06841	0.7
178.07704	1.1
179.08501	0.7
179.14317	1.0
181.06506	1.4
182.07274	4.5
183.08031	4.7
184.07376	0.9
184.08855	2.1
185.06116	1.6
185.09602	4.8
187.03816	1.0
187.07524	2.0
194.07269	0.8
195.08032	3.5
196.08881	1.3
197.06038	1.0
197.09604	5.7
198.06729	1.9
199.07552	9.1
199.11185	4.5
200.08310	0.8
201.09099	5.9
209.09645	4.7
211.07503	5.0
212.08301	9.4
213.05667	0.7
213.09128	8.0
215.10661	5.2
223.07571	1.7
224.08299	1.0
225.09094	45.3
226.09802	7.3
227.07010	2.3
227.10652	9.4
237.09123	3.4
238.09877	15.6
239.07039	2.7
239.10635	2.4
240.07793	1.0
241.08652	2.3
242.09375	1.9
243.10155	18.1
249.09015	1.5
253.08527	1.6
254.09334	1.1
255.10156	40.1
256.10910	1.8
257.11670	5.5
269.11725	17.7
275.12820	1.7
287.12799	3.4
291.13779	0.6
296.12015	0.7
299.10699	1.6
313.12366	1.3
315.10202	2.1
324.11609	0.7
325.14465	3.0
325.65442	0.7
329.11597	1.3
331.26312	1.6
337.12292	0.9
339.13733	1.0
341.11737	1.7
342.12546	1.6
343.13132	0.8
355.13358	4.0
356.13922	1.3
357.14902	2.6
366.12619	0.9
367.13367	1.9
381.14694	1.0
384.13477	1.6
385.14316	3.7
393.15063	1.1
403.15408	3.7
405.30032	2.3
421.17993	0.8
423.15973	1.9
438.18164	2.4
439.19052	4.5
449.17493	2.5
451.15457	0.7
467.18552	48.0
468.18790	3.3
481.20026	11.6
485.19556	7.7
499.21182	17.8
499.27737	0.6
500.21497	1.3
517.22101	1.2
517.38538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05256	1.1
55.05510	13.5
67.05485	1.0
69.03423	7.5
70.62998	1.1
79.05479	0.7
81.07059	1.2
81.53622	0.5
83.04977	100.0
84.05324	1.1
87.04443	0.9
91.05468	3.9
93.07034	1.8
95.04975	0.9
95.08611	1.1
97.02883	8.1
97.06607	0.5
105.06345	1.1
105.07026	14.5
105.26291	0.5
107.04930	1.0
107.08583	0.8
109.06526	1.5
113.00018	2.2
115.05473	1.4
117.07002	1.4
119.08586	1.7
121.06507	2.9
122.07278	1.2
123.08081	1.4
128.06224	1.9
129.07016	1.9
131.04916	0.6
131.08571	2.1
133.06490	2.6
133.10147	2.3
135.04425	1.1
135.08064	5.2
143.08548	1.9
145.06480	2.9
146.07243	5.2
147.04477	0.6
147.08028	1.7
148.08884	1.1
149.05971	2.1
149.09602	6.5
155.08598	0.8
159.08072	2.2
161.05952	3.2
161.09610	50.0
162.06828	0.7
162.10063	0.9
169.06444	1.0
171.08049	0.8
171.11635	0.8
172.08902	0.7
173.06042	0.8
173.09573	1.2
175.07643	0.8
179.14381	0.6
185.09683	1.0
187.03709	0.7
189.09077	0.9
197.06058	0.7
197.09630	1.9
199.07552	1.3
199.11247	1.5
201.09161	0.7
201.12796	0.7
209.09627	0.8
211.11148	1.0
212.08325	0.8
213.09154	1.5
213.12776	0.7
215.80284	0.6
217.08594	3.0
222.10371	0.5
223.11192	0.6
225.09053	2.9
227.07062	1.5
227.10683	1.9
227.14406	0.9
229.12164	0.6
238.09947	0.5
240.11377	0.6
241.12231	0.8
242.13145	0.7
243.10129	1.2
245.11758	6.3
255.10231	1.3
255.13708	4.2
260.14093	2.6
273.14890	0.8
281.11752	1.6
307.13226	1.2
319.13174	1.4
321.14969	0.7
331.26276	0.7
341.83557	0.6
353.70587	0.6
371.16333	1.3
375.19785	0.8
405.29904	1.5
448.01666	0.6
476.31613	0.6
500.40717	0.5
517.21899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05509	19.0
56.05807	0.4
56.80045	0.3
67.05509	0.6
69.03442	0.9
69.27412	1.5
69.27811	0.7
79.05502	0.7
79.51219	0.3
81.07039	0.7
83.04977	100.0
84.05299	1.0
85.65315	0.4
91.05486	1.2
93.07051	0.5
95.04969	1.0
95.08588	0.5
98.09705	1.0
105.07034	1.4
107.04977	0.5
109.06541	0.4
109.67212	0.3
113.00000	0.7
115.05447	0.4
119.08602	0.7
121.06518	1.9
122.07296	0.5
123.08132	0.8
129.07005	0.8
135.04472	0.4
135.08075	2.2
145.06496	1.3
145.10114	0.4
147.04439	1.4
147.08041	1.2
149.05972	2.6
158.07281	0.6
159.08105	1.1
161.06004	1.2
161.09616	1.8
165.07047	0.9
171.07999	0.8
172.08826	0.9
173.09628	0.7
175.03954	0.4
180.09369	0.4
181.10135	0.4
183.07982	0.6
184.08754	0.5
185.09625	0.8
186.10400	1.0
193.10144	0.4
196.08878	0.9
197.09706	0.8
199.07579	0.4
199.11211	0.7
201.12715	2.4
208.08760	0.5
209.09564	1.2
211.07677	0.6
211.11237	1.2
213.09077	0.5
213.12683	0.9
214.09915	0.4
215.10611	0.4
221.09569	0.5
223.11223	1.0
225.09195	0.5
226.09863	0.6
227.10886	0.4
229.12267	3.1
238.09892	0.6
239.10588	2.0
241.12306	1.9
249.09074	0.9
255.10172	0.8
257.11740	2.4
259.13342	0.7
262.09879	0.4
267.10168	4.7
269.11728	1.2
275.12854	1.7
277.08621	0.7
283.09622	0.5
293.15375	1.0
321.14801	0.6
331.26468	0.5
335.12509	0.4
343.17151	0.6
359.12927	2.0
361.18216	0.5
371.16528	0.8
389.17468	2.8
399.16019	1.3
409.14890	0.5
417.16876	3.5
465.35458	0.4
517.34912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48474	5.0
58.98631	4.0
59.78436	4.2
67.05492	7.7
69.84827	11.7
69.85218	8.2
76.75107	4.1
81.07047	6.5
109.10147	5.4
113.30634	4.3
119.25359	4.2
193.02805	4.3
196.07320	9.1
339.90424	4.8
516.92755	4.8
517.25690	100.0
538.96411	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	517.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05508	7.3
57.03427	4.1
57.07084	2.0
67.05498	10.5
69.03418	1.2
69.07069	8.2
69.31710	5.2
71.04984	1.4
71.08620	4.7
79.05486	6.9
81.07049	15.1
83.04967	2.2
83.08614	4.0
85.06533	1.5
91.05470	6.7
91.46880	1.1
93.07040	11.3
95.04967	1.7
95.08598	12.7
97.06511	2.9
97.10164	1.2
99.08100	2.6
102.23966	1.0
105.07018	10.2
107.08595	10.5
109.06506	10.9
109.10150	4.3
111.08077	1.9
113.00007	100.0
117.06999	1.6
119.08562	13.2
121.06525	1.2
121.10149	6.0
123.08055	25.8
123.08901	1.8
123.11656	2.1
125.09630	1.6
128.06277	0.9
131.08554	3.6
133.10098	12.2
133.11014	1.4
135.08025	13.3
135.11678	2.4
135.29250	1.2
137.09584	1.6
145.06517	1.2
145.10124	4.4
147.11716	6.5
148.11871	1.1
149.09595	2.8
149.13246	4.2
157.10124	2.1
159.08044	2.2
159.11676	3.5
161.05981	1.1
161.09564	3.7
161.13269	2.4
165.12738	1.7
167.14290	1.1
173.13383	1.0
175.11183	1.1
175.14796	7.9
177.12766	5.3
177.16460	1.9
179.14294	33.6
180.14705	1.2
184.07327	1.8
187.03658	17.2
187.07480	2.4
191.14275	1.4
193.15822	2.1
197.39441	1.2
199.07567	5.5
201.09143	2.5
203.14195	1.5
205.15961	5.8
213.09071	2.4
225.09074	2.8
242.09486	2.3
247.20529	1.4
260.10416	2.7
263.20172	2.3
275.19928	1.3
289.21597	8.0
293.21100	2.9
303.26852	4.0
319.22610	1.4
331.26270	59.9
332.26498	3.2
349.23770	1.3
349.27414	7.7
369.27991	2.2
375.28802	1.6
387.28818	7.0
391.19232	1.1
397.14267	1.4
405.29944	75.9
406.30438	3.8
477.65451	1.2
481.16510	4.9
499.17331	3.5
499.28012	2.6
517.29193	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	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.05513	6.1
55.24089	0.9
57.03431	2.2
57.07064	2.5
67.05492	9.3
69.03426	3.8
69.07061	7.2
71.04985	1.2
71.08615	3.4
71.43387	1.1
74.03689	2.0
79.05482	4.8
81.07050	11.9
83.04980	5.2
83.08598	3.7
85.02889	1.4
85.06551	1.4
86.09679	2.6
91.05479	6.8
93.07038	8.9
94.66819	0.9
95.05004	1.0
95.08597	10.9
97.02880	1.0
97.06524	2.8
97.10160	1.2
98.09672	1.5
98.98465	1.0
99.08070	2.3
104.10736	2.2
105.07028	9.8
107.08580	7.0
109.02879	1.7
109.06516	11.3
109.10163	3.8
111.08033	1.4
111.35438	1.1
113.00008	100.0
115.05449	2.1
116.10699	1.3
117.07028	2.1
119.08573	9.3
121.06517	2.0
121.10126	4.1
123.08067	20.6
123.11662	1.5
125.09623	1.0
129.07001	2.1
130.09276	1.0
131.08553	2.8
133.10121	11.4
135.04388	1.4
135.08037	10.9
135.11658	1.8
137.09537	1.7
143.08513	2.5
145.06506	4.9
145.10144	3.4
145.38509	1.1
147.08051	1.8
147.11682	5.4
149.09627	2.3
149.13281	2.9
155.08577	1.7
157.10092	1.4
158.07239	1.6
159.08067	6.7
159.11699	5.1
161.05957	4.1
161.09604	1.8
161.13168	1.3
163.11230	1.3
165.93013	1.1
167.14331	2.2
169.02612	3.4
169.10016	1.2
171.08081	3.2
173.05995	1.6
173.13295	1.1
175.07582	1.4
175.14828	6.1
177.12712	3.6
179.14288	30.0
183.08083	3.1
184.07329	3.9
185.09598	1.9
186.06798	5.1
187.03658	15.2
187.07484	11.2
188.08250	3.4
189.09102	1.9
193.15810	1.1
195.08095	1.3
197.05959	1.6
197.09610	2.9
198.06639	1.4
199.07513	13.8
200.08192	2.2
201.09103	3.7
205.15878	4.1
209.09686	1.4
211.07542	13.9
212.08286	5.0
213.09105	4.6
219.88280	1.1
225.09102	10.0
226.09799	5.5
227.06995	3.8
227.10515	2.5
242.09430	9.6
243.10167	2.0
244.10924	5.9
245.11577	1.7
255.10103	4.4
257.11722	5.0
260.10477	5.2
263.20041	1.5
275.20041	2.0
289.21521	5.9
293.20963	1.4
303.26868	3.2
315.10199	1.5
329.11725	1.6
331.26276	47.1
332.26434	1.4
347.25711	1.8
349.27313	4.8
352.10645	1.3
355.13077	2.0
357.13522	2.5
367.13223	1.6
375.28806	2.0
387.28772	5.6
392.14163	1.4
405.29962	48.8
406.30225	2.4
409.14294	1.5
427.15350	2.3
452.16385	1.6
453.17001	1.2
463.15054	1.8
470.17505	1.2
481.16534	12.8
482.16473	1.3
499.17365	15.0
499.28064	4.3
517.18921	6.3
517.29419	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	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	1.4
55.05509	17.2
56.53918	1.0
57.03429	4.7
57.07071	2.0
57.38001	1.0
62.86365	1.1
65.03926	1.7
67.05502	34.2
67.05864	1.8
69.03430	1.3
69.07064	14.5
70.92702	2.1
71.04979	1.8
71.08627	2.6
73.04739	1.9
77.00599	7.4
78.55431	1.1
78.98506	1.0
79.05486	27.5
81.07056	45.5
83.04971	3.0
83.08606	10.6
85.06534	2.2
89.05999	1.2
91.05453	21.5
93.07036	34.6
93.07603	2.2
95.01637	17.6
95.04953	3.9
95.08601	33.3
97.06535	3.9
97.10156	3.7
99.08077	1.2
105.07021	28.8
107.08582	26.2
109.06531	3.0
109.10146	14.3
111.08060	2.8
113.00016	14.3
115.05511	1.3
117.07000	9.4
119.08574	27.4
121.03153	1.6
121.10120	19.8
123.08064	6.8
123.11713	3.9
129.06995	3.9
131.08568	18.1
131.09488	2.1
133.10109	19.6
133.11031	1.6
135.08020	3.0
135.11668	10.9
137.09586	1.2
142.07857	1.3
143.08559	5.6
145.06773	13.3
145.10121	21.6
147.04738	4.7
147.11659	14.0
149.09676	1.8
149.13220	7.0
155.08582	2.4
157.10098	6.9
159.11687	12.9
161.09683	1.6
161.13251	9.9
163.14825	3.3
169.10155	2.9
171.11639	6.3
173.13237	11.5
175.14810	5.2
177.12761	1.3
179.14304	6.0
183.11740	3.3
185.13228	5.2
187.03702	1.9
187.13301	1.0
187.14767	6.7
189.09555	2.6
189.16356	1.5
191.07333	2.0
197.13301	2.3
199.13240	1.5
199.14893	4.9
201.16440	3.2
203.17827	1.4
205.15865	1.8
213.16440	2.0
215.18074	1.4
233.11919	2.8
233.19005	1.4
239.09613	1.8
241.17935	3.0
245.19040	1.4
257.19131	1.3
259.20621	3.5
263.20135	1.6
264.30539	1.2
271.20496	1.5
273.21988	1.5
281.21124	1.3
285.22153	1.5
287.23560	3.2
289.21671	1.4
291.23315	1.4
293.21158	1.2
299.23712	2.1
303.23322	1.9
303.26556	1.3
304.21906	1.2
313.25143	1.2
315.23438	1.6
315.26944	1.2
321.17407	1.5
331.26221	7.1
333.24249	1.8
347.25549	1.6
375.29089	1.9
387.28873	1.3
405.30023	12.7
407.33035	3.2
421.29471	1.2
425.34155	14.9
435.31958	1.2
443.35352	6.1
499.37860	17.6
500.38541	1.3
517.38879	100.0
518.39252	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	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01848	1.6
55.05508	11.5
56.05828	1.1
57.03432	6.5
57.06823	0.9
57.07074	11.8
58.03746	0.7
58.07414	1.5
61.02906	1.7
65.03909	0.8
67.05168	1.1
67.05503	18.4
69.03424	5.7
69.06714	0.9
69.07064	12.9
69.21564	3.9
70.03755	0.8
70.07397	1.3
71.01328	1.5
71.04987	3.5
73.02908	1.9
79.05042	1.2
79.05486	18.2
80.05810	1.7
81.03379	0.9
81.07051	21.8
82.07381	2.7
83.04982	3.7
83.08602	5.7
85.02888	5.5
85.06046	1.0
85.06534	15.2
86.03222	1.1
86.06858	1.8
87.04457	1.4
87.08096	1.6
91.05472	33.7
92.05797	7.0
93.07039	17.2
94.07353	1.1
95.04951	3.5
95.08598	15.4
97.02862	1.4
97.06512	3.1
97.10133	2.0
99.04449	2.1
99.08076	2.3
101.06042	0.9
103.03922	1.1
104.06252	1.3
105.04519	0.8
105.07026	14.0
106.07367	2.7
107.08591	9.4
108.08926	1.1
109.06509	5.7
109.07175	1.0
109.10150	4.7
111.04518	0.7
111.08072	8.6
112.08392	2.7
112.12482	0.6
113.00004	2.6
115.03924	0.7
117.07016	4.2
119.08574	11.8
121.06467	0.7
121.10132	6.9
123.08042	2.2
123.11713	0.8
124.08386	0.8
125.09618	2.9
126.09916	1.1
127.07552	7.1
128.07883	2.3
129.05438	0.7
129.07019	1.5
129.09087	1.9
130.09433	0.9
131.08565	7.8
133.10115	100.0
134.10454	40.6
135.08040	1.9
135.11691	4.1
137.09676	0.7
141.06940	1.0
141.09071	1.0
143.08562	3.2
145.10121	7.1
147.08029	3.7
147.11676	5.6
148.08377	1.7
149.09604	27.9
149.13237	3.2
150.09926	12.6
153.09088	8.1
154.09450	2.3
155.08502	1.2
157.10077	1.8
159.11694	5.4
160.12029	0.7
161.13274	3.2
163.14786	1.7
169.08670	0.9
169.10040	1.0
171.10176	16.9
171.11684	2.0
172.10512	6.8
173.13245	3.9
175.14822	1.3
179.14285	1.2
183.11749	1.0
185.13260	2.5
187.14867	1.9
189.11211	17.5
189.12830	1.3
189.16411	1.0
190.11507	7.3
195.11783	0.7
199.14807	1.5
201.16400	1.4
203.18059	0.8
211.14813	1.0
213.16452	1.2
215.18002	0.8
225.16486	0.7
241.17891	1.3
245.19043	0.7
259.20596	1.0
273.22028	1.3
287.23694	0.9
293.21347	1.0
299.23642	1.1
313.25299	1.0
317.24802	0.8
331.26288	1.8
337.20065	1.3
338.20441	2.4
347.17041	0.7
382.54929	0.7
405.29956	2.4
407.33136	1.3
425.34097	5.6
443.35358	2.0
486.29404	3.6
486.35971	0.7
499.37817	7.5
508.57452	0.7
517.38885	42.4
518.39276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85384	3.3
55.05509	9.3
59.05003	22.2
61.67338	3.9
67.05500	21.2
69.03436	7.9
69.07073	5.7
71.04980	4.5
77.03908	4.2
78.45188	3.1
79.05487	68.9
81.03421	5.4
81.07059	47.7
85.02913	6.6
85.06520	20.8
87.04440	10.6
91.05480	66.6
93.07042	68.8
94.85027	4.0
95.04967	18.4
95.08610	10.6
97.02907	6.2
97.06528	10.4
103.13308	3.7
105.01861	6.8
105.07027	88.0
107.08605	38.2
109.06517	9.7
109.10168	8.8
111.08049	5.3
113.09630	4.7
115.05441	6.2
117.07018	26.5
119.08581	52.4
121.10146	34.8
123.08071	15.0
127.03926	11.0
128.06229	4.4
129.07033	7.3
131.08559	67.5
133.10129	100.0
135.08054	4.2
135.11685	9.0
137.09477	3.5
141.09102	13.7
142.07773	10.8
143.08571	13.2
144.09326	9.7
145.10139	5.3
147.11690	11.9
149.09596	23.7
149.13271	12.0
156.09343	3.6
157.10139	14.2
159.08003	4.8
159.11668	52.2
160.08476	4.6
160.12047	2.9
165.12717	4.0
167.10675	97.3
171.11658	3.5
177.12769	14.8
177.56952	3.2
185.17357	4.3
199.14824	7.6
217.15904	4.7
235.16864	3.6
359.68341	3.3
393.87106	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	2.0
53.03936	5.7
55.01860	5.0
55.05496	11.5
59.04992	17.7
65.03922	3.8
67.05499	17.2
69.03417	8.8
69.07050	6.8
69.87067	6.0
71.04992	4.4
75.89735	2.3
79.05489	62.1
79.95422	2.1
81.03414	2.6
81.07050	46.6
83.04973	17.6
85.02885	7.7
85.06528	10.1
87.00819	4.8
87.04456	8.8
91.04941	3.9
91.05473	56.3
93.07034	62.2
95.04967	17.2
95.08600	17.2
97.02879	5.4
97.06519	9.5
103.05450	4.4
105.01837	5.2
105.04481	4.0
105.07021	87.6
107.04930	2.5
107.08591	48.7
109.02889	4.3
109.06496	8.4
109.10153	7.4
111.08081	4.3
113.09615	2.0
115.05429	6.4
116.06215	3.6
117.07014	20.7
119.08568	40.4
121.06473	2.8
121.10126	41.1
123.08074	12.3
127.03876	7.2
128.06201	6.0
129.07014	12.7
130.07803	2.3
131.08554	74.7
133.10115	94.7
135.11679	7.5
141.09090	12.1
142.07750	10.5
143.08549	9.4
144.09343	5.5
145.04903	4.3
145.10106	9.5
147.11668	9.5
149.09596	31.2
149.13232	8.7
157.10065	17.5
159.11678	40.5
163.88982	2.3
167.10658	100.0
168.11111	3.0
171.11586	2.6
175.11115	3.4
177.12711	13.0
199.14803	6.0
217.15892	5.8
235.16898	6.3
405.46033	2.1
433.18253	12.9
475.12643	3.1
475.19333	57.7
519.18329	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	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46070	0.8
53.03934	2.0
55.05495	3.3
59.04992	2.6
61.02921	1.2
65.03938	1.7
67.05498	12.1
67.12617	0.8
69.03431	5.4
69.07047	3.6
69.77092	2.1
69.77472	1.9
71.04986	10.8
79.05480	13.9
81.03411	1.8
81.07049	8.3
83.04962	6.7
85.02900	5.5
86.62072	0.9
86.96560	0.8
87.00822	3.3
91.05467	17.3
93.07029	15.1
95.04964	31.8
95.08591	7.4
97.02880	3.6
97.06531	5.6
98.84750	0.9
99.04396	1.5
103.05465	1.1
105.01855	5.1
105.07024	13.3
107.04942	1.4
107.08565	10.6
109.02879	2.0
109.06496	2.1
109.10132	1.4
111.08080	0.9
115.05447	1.3
116.06229	1.4
117.06981	4.4
119.08569	35.7
121.06488	1.9
121.10130	23.4
121.98078	0.9
123.08075	11.2
123.11701	5.0
124.05199	9.6
125.05993	5.9
125.09614	4.1
127.03908	3.9
128.06143	1.2
130.07770	2.8
131.08548	8.1
133.10101	4.6
135.11684	3.1
137.09605	3.5
139.11186	4.2
143.08510	1.6
143.10634	7.7
145.04950	3.7
145.10118	12.3
147.08022	1.3
147.11700	4.5
149.09590	8.7
157.10132	2.1
159.11697	1.5
159.74217	1.0
163.11143	6.2
167.10661	100.0
168.10973	2.3
169.50322	1.0
175.11188	1.2
189.16359	0.9
217.15800	2.8
223.24982	1.3
235.16888	12.2
247.35660	0.9
254.12384	1.1
284.09875	1.2
313.64786	0.9
428.41061	1.0
445.75549	1.1
456.83536	0.9
468.75800	0.9
474.17880	1.3
518.17413	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.2
56.05016	14.4
67.05486	36.2
69.03436	43.4
69.07035	11.7
69.26849	63.6
70.06580	36.2
79.05517	23.9
81.03440	19.1
81.07056	51.1
83.05033	14.5
84.08128	14.6
85.02898	78.5
87.00838	22.8
91.05479	52.4
93.07036	39.6
95.08595	40.2
97.02888	23.0
105.01844	41.2
105.07027	90.0
107.08604	35.2
109.02885	20.0
109.10152	26.3
110.07185	21.9
116.07072	32.0
117.07034	23.4
119.08582	53.9
127.03923	48.1
129.07008	22.3
129.10252	19.3
131.08557	30.2
133.10181	37.2
143.08553	49.6
145.04965	13.7
145.10063	20.1
147.11670	20.2
157.10123	48.2
159.11652	68.0
161.13251	21.5
164.10873	14.0
171.11659	24.6
175.65538	11.9
189.16374	25.7
199.14838	64.4
217.15880	100.0
231.04839	15.1
244.18727	14.2
252.15887	26.4
270.17093	17.2
278.17599	13.4
439.19305	14.1
519.31085	18.1
526.53564	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	518.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01122	2.4
65.47258	0.9
66.50048	0.8
70.32078	1.0
70.32388	1.0
73.04757	6.2
73.06541	1.9
75.02660	0.8
77.00598	33.5
79.02153	2.2
83.04973	2.0
86.09672	1.0
87.04466	1.1
89.06010	8.8
91.05802	9.6
93.07002	1.0
95.01637	100.0
98.23616	0.8
99.02644	2.5
101.04251	1.6
103.02142	2.1
113.00062	1.8
113.02684	3.6
113.27278	0.9
114.07356	1.8
117.03708	3.0
117.07320	6.8
117.09116	1.3
118.03198	5.9
119.01611	2.8
121.03164	6.0
131.75032	0.8
145.06789	58.9
147.04712	35.7
161.09911	5.0
165.05765	4.4
167.05527	1.8
169.03477	2.8
184.07294	2.3
186.82422	0.9
189.09412	20.6
191.07306	9.3
213.55585	0.9
233.12022	13.5
235.09901	1.8
239.09436	6.7
265.11105	1.6
277.14651	1.5
299.06036	0.9
321.17300	15.9
378.16656	0.8
519.24634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
57.03433	0.1
58.06623	0.4
59.07130	0.1
59.07391	0.2
60.08158	7.2
67.05498	0.7
69.07038	0.1
70.06587	0.1
70.31249	0.1
70.53662	0.1
71.07368	4.0
76.20885	0.1
79.05482	0.3
80.97434	0.1
81.07047	0.5
86.09696	35.3
87.10021	0.2
91.05460	0.2
93.06500	0.1
93.07038	0.3
95.04952	0.1
95.08614	0.4
95.54332	0.1
98.98454	3.8
104.10734	3.3
105.07016	0.1
107.08600	0.1
109.10181	0.1
110.21148	0.1
113.00055	0.1
113.44602	0.1
120.58985	0.1
124.99990	26.0
126.00365	0.1
130.86015	0.1
143.01033	0.2
145.62747	0.1
161.60155	0.1
163.01376	0.1
168.74060	0.1
184.07321	100.0
185.07672	0.9
229.33437	0.1
229.35559	0.1
258.10959	0.2
335.25610	0.2
378.32791	0.1
430.07343	0.1
482.16541	0.1
500.31119	0.8
518.25854	0.1
518.32495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.05033	1.2
57.03428	0.2
58.06581	1.1
59.07378	0.4
60.08158	13.9
62.25709	0.2
65.37727	0.2
67.05500	2.1
69.07056	0.6
69.37773	0.8
70.06569	0.2
71.07369	6.6
74.68459	0.1
79.05479	1.2
81.07050	1.5
83.07352	0.2
86.09697	46.9
87.10047	0.4
91.05480	0.8
93.07029	1.5
93.21278	0.2
95.04958	0.2
95.08595	1.1
98.09685	2.0
98.22701	0.4
98.98457	4.4
102.28146	0.2
104.10733	65.8
105.07024	0.5
105.11063	0.5
107.08595	0.5
109.10146	0.2
113.00023	0.5
115.67467	0.2
119.08623	0.3
121.10131	0.5
124.99992	29.1
131.08582	0.2
133.10141	0.3
143.01009	0.3
163.01552	0.5
181.02654	0.3
184.07323	100.0
185.07672	0.7
196.07326	2.4
242.09418	0.3
258.10925	1.0
335.25830	0.6
406.30243	0.3
441.24170	0.3
500.31335	5.6
501.31195	0.2
518.32373	15.2
519.32233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.8
56.21791	4.0
56.22694	4.6
57.07050	5.4
67.05483	8.4
67.24520	4.0
67.45004	3.7
68.32732	3.8
69.07062	20.9
69.77552	14.5
74.37990	4.0
75.86929	3.6
78.02725	3.7
79.05492	11.4
80.01480	3.8
81.07053	48.5
83.08634	7.1
85.02907	8.0
91.03949	3.8
91.05453	9.8
93.07029	15.0
94.00902	4.1
95.08595	43.5
97.10166	7.0
105.07028	21.7
107.08578	19.8
109.10152	32.2
111.11684	6.0
119.08557	28.4
121.10136	9.9
123.11691	14.7
125.17369	4.9
131.08504	4.1
131.94553	4.1
133.10120	29.0
135.11676	13.9
145.10162	14.5
147.11664	52.7
149.13252	22.7
151.11200	6.0
159.11688	30.2
161.13258	35.2
163.14819	11.4
173.13287	11.7
175.14778	21.8
179.10664	7.5
185.66220	3.9
187.14813	12.1
193.12250	49.3
201.16365	17.6
207.13831	25.3
219.13931	5.5
221.15317	13.5
223.94307	4.8
245.22864	7.9
255.99481	4.2
257.19989	6.0
257.22647	100.0
275.23602	6.1
285.22095	11.1
291.23154	11.6
303.23099	59.0
458.24460	11.2
458.42697	5.2
518.27020	24.7
518.37274	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	518.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87869	3.3
55.05513	14.5
63.84143	2.8
67.05499	10.6
67.48317	3.0
69.03428	3.4
69.07067	14.6
71.42854	4.8
79.05500	9.9
81.07047	34.3
83.08614	4.3
85.02908	7.9
91.05505	5.0
93.07050	14.1
95.08594	34.4
97.02915	4.0
97.10191	4.3
98.09704	3.8
105.07008	22.5
107.08588	15.5
109.10149	26.7
110.78297	3.4
111.11723	7.3
117.07019	5.1
119.08572	21.3
121.10160	13.7
123.11671	8.6
131.08556	6.5
133.10135	22.8
135.11734	10.1
137.05972	6.5
145.10133	13.2
147.11690	41.5
149.13269	17.5
159.11688	18.1
161.13261	35.4
163.14856	6.6
165.12721	3.3
173.13268	20.2
175.14790	29.0
179.10774	4.4
187.14781	10.7
189.16310	3.8
193.12236	32.3
201.16411	13.4
205.12311	4.3
207.13814	19.3
215.18007	3.9
219.13869	3.8
221.15352	23.9
233.15297	5.3
245.22508	4.0
247.16800	3.4
257.22635	100.0
257.25220	5.8
258.22983	4.2
275.23749	8.9
285.22226	4.0
291.23129	7.1
293.42963	3.1
303.23196	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62262	0.5
55.05506	4.3
59.05000	0.5
69.18645	3.1
77.07207	0.5
79.05511	1.1
81.07060	0.8
83.04977	18.9
91.05492	1.6
93.07056	1.0
95.04968	0.6
105.07029	1.8
106.02689	0.5
107.08601	0.9
119.04918	0.5
119.08620	1.0
121.22407	0.5
131.08542	0.8
132.08875	0.6
133.10127	0.8
157.10136	0.8
159.11688	0.6
159.82886	0.5
168.10991	0.8
170.96274	0.6
203.05283	0.7
235.83348	0.6
245.06316	1.1
253.11981	1.3
255.13545	0.7
269.70193	0.6
271.13052	3.3
289.05225	1.1
347.94672	0.5
365.74261	0.5
415.17389	0.8
421.32626	0.5
433.18323	27.3
462.95001	0.6
475.19370	100.0
476.19742	5.5
500.73453	0.6
508.55130	0.5
519.18323	77.7
520.18805	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	519.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.05509	4.8
57.03410	0.8
59.04996	2.7
61.48722	0.7
67.05499	1.5
69.03420	2.0
69.07051	0.8
69.23592	3.6
70.06573	0.8
79.05487	6.9
80.05830	1.5
81.07051	5.0
82.07367	0.8
83.04978	18.5
83.06055	1.0
85.02883	2.1
85.06547	1.0
87.00831	1.0
91.05458	6.6
92.05785	1.6
93.07050	7.9
94.07388	1.9
95.04984	2.9
95.08605	2.8
96.08907	0.9
97.06538	1.4
99.04433	0.7
105.01870	1.5
105.04514	1.0
105.07017	10.1
106.07354	3.2
107.08581	4.8
108.08929	1.3
109.02901	1.3
109.06546	0.7
109.10173	1.5
110.07147	4.2
117.07018	1.7
118.07343	1.4
119.08578	5.6
121.10155	4.2
122.10500	1.4
122.74800	0.7
123.08089	1.3
127.03932	1.2
128.06213	1.4
129.07025	1.0
131.08568	6.4
132.08919	2.9
133.10138	8.6
134.10426	3.6
135.11649	1.0
142.07823	1.4
143.08582	1.1
147.11699	1.1
149.09630	2.4
150.09988	1.3
157.10153	2.7
158.67255	0.8
159.11655	3.7
160.12029	1.4
163.03876	2.0
167.10648	8.0
168.11046	3.7
175.14833	0.8
177.12762	0.8
192.29887	0.7
199.14838	1.0
203.05208	0.7
213.12820	0.9
253.11919	3.7
255.13611	2.1
271.06030	1.2
271.12918	3.5
287.03754	1.6
289.05280	4.0
299.06052	0.8
299.12582	1.2
370.65802	0.8
415.17227	1.6
433.18289	7.0
443.20895	0.7
457.18460	1.2
475.19434	41.9
476.19620	2.4
501.17319	3.8
519.18378	100.0
519.32294	2.5
520.18701	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	519.1863
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	7.8
57.03441	2.0
61.02921	2.4
61.26753	1.6
65.03922	1.7
69.03424	7.1
69.72281	6.5
79.05504	2.6
81.03397	2.7
81.07051	3.2
82.14826	1.7
85.02898	19.3
85.04872	2.1
91.05482	5.1
93.07027	2.1
94.04181	3.7
97.02884	6.3
98.23460	2.0
103.05458	7.8
105.07054	3.0
109.06503	2.9
111.04401	3.7
115.05470	3.7
117.03367	1.8
122.03632	9.6
125.05986	3.1
127.03881	2.0
129.06979	3.3
131.04913	11.0
133.10124	2.3
137.05968	100.0
143.04906	4.1
145.02837	4.3
146.03607	2.3
147.04378	3.3
151.03879	1.9
153.05473	3.8
155.04929	2.3
157.06483	4.4
160.05132	1.9
161.05984	13.1
162.06741	3.3
163.03937	2.6
163.07584	12.3
165.05481	8.9
171.04485	3.1
173.05951	3.2
175.07539	7.9
177.05513	12.1
181.04980	4.3
185.06003	2.5
187.07549	4.9
189.07024	3.8
190.07750	2.9
191.07018	10.0
191.08559	4.2
191.97165	1.9
199.07526	2.6
202.07704	2.7
203.07051	5.5
205.06522	4.6
206.07338	2.5
208.08887	1.8
215.07040	6.5
217.06602	3.7
217.08604	13.3
218.07240	7.0
219.08012	13.3
220.08704	1.9
221.08327	2.0
229.06380	4.2
230.07156	1.6
231.08051	3.4
233.05864	2.2
233.09636	1.8
234.06709	5.4
235.07521	7.2
236.08319	3.9
246.06767	7.9
247.07448	14.2
248.08211	5.1
249.09019	5.5
251.07236	2.0
251.10564	2.4
257.05975	4.3
259.07611	4.1
261.09103	15.1
262.06235	5.5
263.06940	7.0
264.07788	5.3
265.08490	3.6
267.10193	4.9
271.05795	3.5
274.06229	6.3
275.07019	7.8
276.07803	3.4
277.08615	13.9
278.09351	6.9
279.10153	8.3
289.08594	25.4
291.10107	9.0
292.07242	2.7
293.08255	1.9
294.08844	5.6
295.09561	3.2
297.11270	2.0
306.08865	8.7
307.09628	38.4
309.11133	16.8
321.11203	51.4
323.12732	14.5
327.12228	41.8
339.12222	42.7
341.13770	4.9
357.13248	20.4
394.71048	1.9
399.59290	2.1
414.20126	1.8
519.23712	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	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74493	0.3
65.14346	0.3
69.03427	2.1
70.06586	1.4
71.06889	0.3
72.08159	0.4
74.82237	0.3
81.03398	0.9
85.02903	2.3
86.09698	0.5
87.00852	0.6
87.04471	0.6
87.91004	0.3
91.84612	0.3
95.08608	0.5
97.02898	1.6
97.07623	0.4
99.04458	0.8
105.01868	1.6
105.07035	0.4
109.02860	0.8
115.03920	0.8
127.03904	2.2
133.04990	0.4
145.04933	0.8
147.04443	0.5
163.03928	0.4
181.04945	2.6
185.04202	0.4
195.06560	1.2
196.06946	0.8
199.06071	0.5
203.05319	1.1
231.05043	0.8
231.31750	0.3
259.07916	1.0
271.05981	4.9
271.17661	0.4
283.15082	0.5
348.68753	0.4
353.30310	0.4
357.18671	3.0
435.00247	0.3
440.74429	0.3
459.22015	0.7
469.20465	0.4
487.21725	2.1
519.24115	100.0
520.24438	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	519.2928
Annotation	Segetalin G
Peak:m/z	Relative Intensity
56.55803	0.4
196.15326	0.5
269.13647	0.6
426.31326	0.5
461.89175	0.6
483.31940	0.5
501.28183	1.6
519.29266	100.0
520.15546	0.5
520.29633	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	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
53.53033	1.7
55.01869	3.7
57.03430	15.5
60.04507	1.7
61.02922	7.5
67.05502	3.2
68.99801	3.6
69.03422	79.9
69.52342	6.2
70.06594	2.2
71.04992	3.3
73.02925	6.2
74.64655	1.5
79.05480	2.3
81.03408	27.8
81.06992	2.2
83.04972	8.1
84.08188	3.1
85.02896	100.0
86.09699	4.4
87.00823	41.8
87.04455	19.7
95.04961	2.9
95.08591	3.3
97.02252	4.0
97.02882	73.7
99.04454	16.4
101.02304	2.1
103.03930	2.6
104.05322	2.0
105.01859	71.9
105.06992	10.7
107.04929	2.6
107.08606	2.8
109.02862	26.1
109.10156	2.8
110.07220	1.8
111.04459	5.2
115.03922	33.6
117.01877	2.1
119.08564	3.4
120.08093	2.3
121.69880	1.6
123.04500	3.2
124.57770	1.7
127.03901	70.7
129.05458	4.1
133.04955	16.9
133.06534	2.2
133.10107	4.2
139.03896	2.5
145.04958	28.3
145.10054	2.3
147.02977	2.1
147.04335	2.1
149.05991	2.4
150.07582	16.3
159.02832	9.5
163.03893	3.2
176.62177	1.8
177.05453	3.9
181.04942	5.5
182.05226	1.8
187.14830	2.2
189.03923	5.6
189.09039	2.0
201.03870	1.8
213.03934	5.6
213.09114	6.6
219.17418	3.8
223.05984	4.4
231.04993	30.2
233.63647	1.7
241.07062	7.5
249.06070	10.7
295.18207	2.3
309.05850	2.0
327.07056	11.7
335.11139	1.9
345.08133	14.6
356.65958	1.9
363.09186	2.8
420.59732	1.7
520.24493	53.6
543.35339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
55.05497	2.6
56.05035	4.7
58.71646	0.8
58.99586	12.0
61.01131	0.7
67.05502	10.8
68.05034	1.1
69.03410	1.0
69.07066	2.2
69.07638	6.3
70.06590	1.4
71.04983	1.2
73.01135	1.5
74.00673	0.9
76.01813	1.6
76.02226	26.2
76.04005	2.3
77.28693	0.7
79.05490	6.7
79.74002	0.8
80.05010	1.7
81.07059	13.0
82.06591	1.0
83.04943	1.3
83.06091	1.8
83.08609	3.2
84.04498	7.2
85.01116	1.8
85.06516	1.0
86.00661	5.9
86.99036	4.5
87.02671	1.5
88.02206	1.6
91.05469	5.9
93.07051	8.6
94.06568	2.4
95.05001	1.6
95.08617	4.1
96.08062	1.0
97.01114	6.8
97.06524	2.3
99.02663	1.5
99.05587	1.0
102.05525	3.5
105.07025	3.4
107.04939	1.1
107.08599	6.0
109.10169	1.6
111.02653	6.0
111.08079	1.5
114.03753	2.1
116.00865	1.2
116.01676	24.6
117.07018	2.4
119.08578	2.1
121.06491	1.1
121.10143	2.9
123.02641	1.5
123.11672	1.2
125.04212	1.3
129.06619	3.6
130.04996	3.8
131.08559	4.3
133.10123	5.1
135.11671	3.0
137.04179	2.2
142.03218	3.7
143.02727	1.3
144.01143	9.6
145.06036	1.4
145.10217	1.6
147.04425	1.0
147.11659	1.6
149.09602	2.3
149.13261	8.9
151.11162	1.7
153.06581	1.1
157.10059	1.1
159.11700	5.2
159.67781	0.8
162.00867	1.5
162.02202	21.2
165.07349	1.0
167.17191	0.7
170.02719	2.2
173.13222	1.6
175.11188	0.9
177.12730	5.1
179.04836	15.7
183.08380	1.0
188.03865	0.8
189.03308	3.0
191.08932	1.5
194.15443	1.9
195.13785	7.9
206.15355	1.4
207.11948	1.6
212.16478	3.1
213.14890	2.7
218.15419	1.0
224.16502	2.4
225.13121	1.0
226.12502	2.0
233.05971	1.7
235.11562	1.0
244.13670	1.2
245.06038	1.7
252.14113	7.9
252.56403	0.8
253.12598	2.7
270.14929	16.3
270.17685	1.2
288.13336	1.3
288.16266	16.9
298.14792	1.2
308.09235	2.6
312.12610	2.6
324.18152	1.1
327.17261	0.9
327.74304	0.8
355.16840	2.7
356.15103	1.1
373.17892	100.0
374.18076	3.2
391.18869	4.2
427.18774	1.5
428.51553	0.9
445.19901	5.2
457.19708	1.0
471.57486	0.9
502.22156	3.2
520.23590	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	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71799	3.7
52.97575	3.2
54.47533	3.4
55.01862	7.4
55.05505	17.5
57.03431	4.1
57.07040	4.4
67.05501	33.6
69.03429	12.7
69.07053	24.7
69.33981	20.1
71.04995	6.1
79.05483	30.6
81.03419	7.4
81.07053	52.3
83.04980	7.5
85.02885	21.1
85.06525	19.1
87.00832	11.0
90.92264	3.5
91.05447	26.8
93.07038	69.8
95.04942	9.0
95.08600	32.5
97.02873	9.4
97.06516	12.0
99.04447	11.1
105.01848	6.1
105.07046	37.3
107.08585	51.6
109.02901	6.7
109.06508	23.2
109.10150	50.0
110.07166	8.3
114.99026	3.6
117.07021	13.9
118.15012	4.2
119.08555	25.0
121.10141	21.2
123.11703	6.5
125.06009	4.5
125.09673	4.7
127.03922	12.0
127.07504	10.8
129.06998	5.5
130.07803	7.2
131.08575	26.5
133.10130	28.2
135.08110	4.9
135.11681	57.4
137.09653	4.9
143.08539	8.4
145.04947	5.0
145.10123	100.0
147.11667	6.7
149.13182	6.7
151.11125	5.2
157.10123	5.4
157.32181	3.7
159.11659	27.3
161.13252	15.5
163.11171	7.8
173.13235	21.1
181.12242	3.7
201.12737	6.4
201.16383	23.6
219.13791	59.2
219.17332	22.3
237.18483	12.7
367.56903	4.2
389.75345	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	520.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.03438	1.5
60.08156	0.8
62.98250	1.1
67.05497	7.8
69.07067	2.2
69.45065	3.5
71.05008	0.8
71.23404	0.7
79.05487	4.0
81.07059	6.3
83.04988	1.4
83.08619	0.7
86.09689	3.5
87.10071	0.9
88.03958	1.4
91.05470	2.0
93.07042	4.4
95.04958	0.8
95.08610	4.1
98.22737	1.2
98.98447	1.4
105.07024	1.4
107.08579	1.2
109.10167	1.9
119.08598	1.2
124.93762	68.5
125.00039	1.7
142.94797	13.1
158.13365	0.7
166.42172	0.7
167.97971	38.7
176.99236	1.4
178.71750	0.7
180.21002	0.7
184.07336	8.2
185.07651	2.2
185.99026	12.1
186.07817	0.8
189.09145	1.7
198.97473	2.7
201.09200	2.4
323.19699	1.4
335.25800	21.9
335.29581	1.4
429.16870	1.0
431.13760	0.7
446.19046	1.5
459.18747	13.2
460.19247	0.8
476.09653	0.8
477.19934	4.9
520.24072	100.0
521.24231	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97613	0.6
53.03926	1.1
55.01849	0.6
55.05509	8.9
57.03430	7.5
57.07063	1.1
60.04518	0.7
60.08151	1.2
62.98241	0.9
65.03924	1.8
67.05501	34.7
67.37495	0.5
69.07063	8.7
69.25993	2.4
69.26418	1.9
71.04975	1.1
76.66005	0.5
79.05046	0.9
79.05488	17.9
81.06568	1.4
81.07050	29.2
82.87475	0.6
83.04972	0.9
83.08621	3.2
85.06532	1.1
86.09703	6.9
87.10036	2.0
88.03979	6.9
91.05463	8.8
93.07033	19.1
95.04963	2.7
95.08598	23.7
97.10160	1.2
98.98457	7.4
99.08080	0.8
104.10725	1.4
105.07024	5.2
106.05024	2.5
107.08585	7.9
109.06577	0.7
109.10157	7.3
111.08051	0.7
117.07005	0.9
119.08585	4.2
121.10122	5.8
123.08008	0.6
123.11694	1.9
124.93769	4.1
125.00004	5.4
126.68000	0.7
127.88567	0.6
131.08542	2.8
133.10117	3.4
135.11676	2.4
137.13239	1.1
142.94858	0.7
145.10129	2.0
147.11665	1.1
149.13211	1.1
159.11737	0.9
161.13281	0.8
167.97968	4.2
173.02055	1.6
184.07321	13.7
185.07707	4.7
185.99179	0.6
186.07741	3.7
187.14732	0.8
233.08983	0.6
244.24225	0.5
250.93570	0.6
261.22037	1.2
331.89417	0.6
335.25763	100.0
336.26117	4.1
348.25412	2.0
378.59268	0.6
459.18811	11.7
461.01550	0.7
520.24066	8.0
520.32025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78745	2.7
50.90063	2.1
54.88890	2.6
55.05515	16.4
57.03418	8.1
58.05669	2.3
60.04517	25.6
67.05160	3.1
67.05505	38.4
69.07068	11.8
70.02942	8.0
71.04984	3.6
71.42933	3.0
78.71083	2.3
79.05480	27.4
81.07060	33.0
81.35760	2.3
83.04979	34.6
83.08611	4.7
86.09679	4.8
88.03988	100.0
88.04527	5.5
88.59473	2.4
91.05460	12.4
93.07040	38.7
95.04964	10.8
95.08594	24.7
98.98465	54.1
99.08094	2.9
100.49039	2.6
104.10730	6.1
105.07020	8.8
106.05022	39.8
107.08582	18.2
107.77313	2.8
109.10139	10.2
119.08569	8.9
121.10129	14.0
131.08505	6.3
133.10129	7.9
135.04387	2.7
135.11707	7.2
145.06462	2.9
145.10143	3.9
147.11679	5.5
149.13277	5.9
155.00996	13.0
160.08813	2.8
161.06009	2.6
161.13277	5.2
163.14784	3.4
173.02106	11.1
184.07388	8.8
188.08296	5.1
189.08908	6.5
201.09076	8.9
225.09056	6.0
243.21016	6.8
261.22153	20.3
322.61438	2.6
330.73990	2.7
335.25784	78.3
336.25845	3.1
342.15884	5.2
348.25357	7.6
428.15536	7.8
446.16272	4.4
515.07410	2.9
520.22980	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80487	2.4
53.03943	3.0
55.01869	4.8
55.05514	4.9
57.03438	4.8
57.07080	3.1
61.02917	4.1
65.03964	2.4
67.05511	7.2
68.99785	2.4
69.03428	23.3
69.07066	7.3
70.66376	2.8
70.66710	2.7
71.04991	3.6
79.05493	8.1
81.03420	7.3
81.07047	17.5
85.02901	55.1
85.06519	3.1
86.09719	11.0
87.00823	33.8
91.05491	10.1
93.07059	17.8
95.08611	24.8
97.02888	18.3
97.06590	2.3
99.04457	7.0
105.01865	62.9
105.07021	16.3
107.08582	24.5
109.02869	12.0
109.06498	5.7
109.10162	22.4
111.12668	2.3
117.07009	9.0
119.08585	20.6
120.08103	15.2
121.06460	3.4
121.10148	20.7
123.08100	5.2
123.11691	3.2
127.03907	35.2
128.65134	3.3
131.08568	9.6
133.10133	10.4
135.08049	4.1
135.11674	22.9
137.09602	5.8
143.11736	3.2
145.04942	18.7
145.10114	27.3
147.11662	5.5
149.13272	2.5
157.10083	2.5
159.02905	6.2
159.11674	21.8
161.13222	8.2
163.11165	12.7
173.04576	3.0
173.13295	7.3
175.14844	3.4
191.17917	28.7
201.16386	37.0
203.18030	2.5
213.04068	3.4
219.15291	4.8
219.17429	100.0
220.17844	3.3
222.53738	2.4
231.04968	15.1
233.16493	3.6
234.37848	2.8
237.18501	16.4
249.06023	16.4
263.06589	2.4
284.09808	9.0
467.22614	4.1
476.19656	5.4
520.18549	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05515	4.8
59.04984	1.0
67.05502	2.5
69.03415	1.7
69.07072	1.7
69.24620	5.8
71.04994	12.9
79.05484	18.9
81.03433	1.7
81.07069	6.0
82.52737	0.9
85.02915	4.3
87.00820	2.0
91.05481	21.0
93.07039	11.2
95.04985	2.5
95.08603	4.1
97.02881	1.8
97.06522	2.8
99.08106	1.0
105.01860	4.5
105.04516	2.1
105.07028	52.4
107.08596	6.7
109.02866	1.7
109.10142	3.5
113.09625	1.0
115.05424	1.0
116.06218	1.1
117.07012	4.5
118.07796	1.6
119.08584	7.6
121.10123	7.0
123.11710	3.5
125.09630	17.9
127.03931	6.2
127.11195	2.0
130.07823	1.1
131.08566	16.5
133.10124	100.0
134.10466	1.7
135.11650	1.2
139.11151	1.3
143.10658	2.7
145.04956	4.4
145.10121	10.2
147.11671	6.9
159.02904	2.1
159.11682	8.4
161.13289	4.0
173.13300	2.2
177.12671	1.0
201.16379	10.4
219.17436	24.7
231.05060	4.4
249.06001	3.5
280.96057	0.8
284.09622	3.4
296.80618	0.8
449.56696	1.0
477.17007	1.3
521.16095	2.3
549.90491	1.2
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
50.37164	6.0
53.03944	7.0
55.05502	16.3
57.03417	5.2
57.07059	8.1
67.05494	28.3
69.03424	6.5
69.07057	28.3
69.20191	23.1
71.04955	6.9
71.75171	5.2
79.05486	32.4
81.07055	46.1
83.04942	6.9
83.08628	7.0
85.02911	27.2
85.06535	13.2
87.00816	15.1
90.22632	5.5
91.05473	44.2
93.07041	89.9
95.04919	7.8
95.08602	53.3
97.02898	10.9
98.23508	9.2
105.01845	27.6
105.07018	50.4
107.08587	69.9
109.02895	6.8
109.10131	53.5
110.07115	6.8
117.07022	15.2
119.08573	50.4
121.10160	38.1
123.11687	8.8
127.03918	14.8
131.08565	27.0
133.10107	34.2
135.07983	7.6
135.11682	85.3
137.09625	9.8
144.09358	6.7
145.04961	8.8
145.10121	80.3
147.11707	5.9
159.11725	61.3
161.13245	15.3
163.11143	66.3
173.13271	7.6
181.12155	5.9
191.17900	15.6
201.16368	92.1
219.17424	100.0
231.04926	9.7
237.18449	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05498	9.6
57.07072	2.6
67.05495	18.9
69.03423	7.2
69.07066	16.7
70.06597	2.2
71.05006	3.0
71.42201	2.5
79.05495	13.2
81.03400	3.9
81.07052	45.2
83.04978	3.2
83.08599	5.6
84.08138	2.6
85.02896	12.4
85.06552	2.0
86.09692	2.5
87.00825	4.0
91.05467	16.3
91.36089	1.8
93.07030	28.1
95.08601	48.0
97.02893	5.7
97.06493	2.4
97.10174	3.1
101.25005	1.7
101.52781	1.7
103.71240	1.7
105.01865	11.5
105.07024	42.5
107.04983	2.4
107.08585	38.2
109.02891	5.1
109.06516	47.1
109.09420	3.0
109.10153	46.2
110.07143	7.0
111.08073	9.2
111.11658	2.3
116.86604	1.8
117.06987	8.5
119.08578	32.1
120.08065	2.0
121.06492	25.2
121.10155	21.4
121.11501	2.2
123.08078	17.8
123.11708	3.4
125.09632	3.1
127.03915	8.4
131.08568	13.8
133.10130	14.6
135.08067	7.8
135.11688	22.1
137.09604	5.7
144.09427	2.8
145.02783	1.7
145.04982	2.5
145.10107	25.7
147.11690	11.1
149.09621	4.5
149.13245	5.7
151.11200	6.8
157.10146	2.7
159.11671	27.5
161.09628	2.7
161.13242	33.8
163.03951	3.2
163.11169	24.2
171.28835	1.7
173.13197	9.0
175.07521	2.0
175.14799	14.8
177.05464	1.7
177.12766	4.5
177.16370	14.2
181.12210	4.3
187.27493	1.8
191.14328	6.2
191.17934	13.8
196.04341	3.7
201.16377	64.5
219.17435	100.0
220.17853	2.5
231.05023	4.5
237.18484	24.1
255.10039	2.0
327.19061	1.9
520.31525	2.6
521.20471	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87857	4.8
55.05504	9.7
65.76006	4.2
67.05485	10.4
67.52771	4.4
69.07055	11.0
70.93327	5.4
71.04982	16.7
79.05479	28.1
81.07051	95.1
91.05480	15.5
93.07043	38.4
95.08629	25.2
97.02915	8.4
105.07030	51.8
105.58809	4.6
107.08591	60.6
109.10170	28.1
119.08567	64.0
120.08965	5.4
121.10151	10.9
123.11686	17.7
127.11217	25.8
133.10129	33.6
135.11681	100.0
139.33527	5.8
143.10690	8.4
143.50331	4.2
147.11676	26.7
149.13268	6.5
153.12741	12.3
161.06773	4.7
161.13237	12.7
171.21606	4.5
178.67941	4.7
203.17957	54.9
219.17499	8.0
221.18942	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63419	0.4
55.05499	0.9
56.05031	1.0
56.86457	0.4
58.06588	0.9
60.08162	17.9
61.30429	0.5
64.04624	0.5
67.05504	4.5
69.07044	0.6
70.56305	0.8
71.07372	7.0
72.08151	0.5
79.05486	0.9
81.07060	3.7
83.08591	0.6
86.09702	49.6
95.08607	2.7
97.10181	0.5
98.98466	3.6
104.10738	97.6
105.11060	1.0
109.10132	1.4
110.29799	0.5
110.48622	0.4
124.99999	26.9
184.07332	100.0
185.07678	0.6
190.69952	0.5
258.10947	1.0
337.27060	0.6
395.38086	0.6
502.32956	8.7
520.33978	28.5
521.34119	0.9
545.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98308	0.6
55.05499	1.6
56.05032	1.2
57.03435	0.8
58.06593	3.8
60.08164	8.3
67.05482	1.2
71.07363	3.6
72.07693	0.7
74.06081	1.2
74.09715	4.4
78.34846	0.6
79.05479	1.0
81.07039	1.5
82.06569	2.0
83.04979	2.0
83.07365	6.7
86.09701	36.5
88.07611	1.1
98.09687	54.5
98.98463	3.2
101.60533	0.6
104.10732	19.2
107.08589	1.0
116.10722	61.2
125.00000	24.8
125.00941	0.7
125.49658	0.6
184.07330	100.0
188.08266	0.7
196.07324	35.1
234.05800	0.7
270.11078	0.7
278.32135	0.7
502.32944	5.3
520.34015	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76704	0.6
55.05523	1.5
56.05045	1.6
57.03449	0.7
58.06606	1.7
60.07868	1.3
60.08162	19.2
66.98865	0.6
67.05491	3.7
69.07056	1.5
69.18529	1.2
69.18929	2.5
71.07374	7.7
79.05517	1.6
81.07057	3.5
85.06410	0.6
86.09702	58.6
89.72763	0.7
93.07053	1.0
95.08617	1.6
98.98454	4.6
104.10737	100.0
109.10134	1.0
124.99998	33.5
184.07330	99.8
258.11081	0.9
295.90683	0.6
344.99936	0.7
502.32785	7.4
520.33948	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05032	0.7
57.03428	0.2
58.06318	0.1
58.06625	0.5
59.07141	0.1
59.07395	0.1
59.51988	0.1
60.08157	7.2
67.05502	0.6
69.07066	0.3
69.12698	0.3
69.13116	0.2
70.06588	0.1
71.07365	3.5
79.05499	0.2
81.07050	0.5
83.04976	0.2
83.08652	0.1
83.66782	0.1
86.09698	33.0
87.10040	0.2
88.02216	0.1
91.05479	0.1
93.07027	0.2
95.08594	0.3
98.98457	3.9
104.10732	3.3
109.10172	0.1
124.99990	24.5
128.58057	0.1
143.01057	0.2
145.06473	0.1
184.07323	100.0
185.07664	0.8
189.09097	0.1
201.09175	0.2
208.88916	0.1
258.10950	0.3
337.27261	0.1
389.08826	0.1
429.16962	0.1
477.18811	0.2
502.32855	0.8
520.33997	1.4
521.34320	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07471	0.3
55.01864	0.6
55.05510	0.9
56.05025	1.5
57.07088	0.3
58.06598	1.6
59.07376	0.5
60.08162	19.0
65.21186	0.3
67.05499	1.5
69.07065	0.7
71.07373	6.5
79.05474	0.9
81.07050	1.8
86.09702	48.5
91.05467	0.7
92.18698	0.4
93.07033	0.9
95.08610	1.0
98.23518	0.8
98.98450	4.6
100.46281	0.4
104.10738	98.7
105.07046	0.7
109.10266	0.3
111.08042	0.8
119.08573	0.5
124.99996	31.4
129.05487	0.6
133.10101	0.6
174.16083	0.4
181.02632	0.7
184.07332	100.0
185.07687	1.3
258.10999	1.0
305.17285	0.4
502.32870	7.5
502.40182	0.5
520.33954	22.7
521.34235	1.0
533.60406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
55.63502	0.9
57.07066	1.4
76.98702	0.8
81.03419	0.8
81.07050	1.5
83.04988	11.9
84.47060	0.7
91.05467	1.3
93.07063	1.0
95.08601	2.8
98.23492	2.2
105.06972	0.8
105.46700	0.8
119.08609	0.8
136.95329	0.8
150.74490	0.8
245.06491	2.6
255.13583	6.3
257.15274	1.2
273.14633	10.2
287.03735	1.4
289.05280	17.3
435.19901	10.2
451.87274	1.0
477.20953	47.5
478.21487	2.3
521.19934	100.0
522.20123	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	521.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58700	0.6
55.05503	1.1
57.03437	1.2
60.08158	2.1
61.08498	0.6
67.05502	0.6
69.03437	1.0
69.18793	3.0
71.04633	1.0
71.04992	13.1
71.07370	1.3
75.04469	2.6
83.04978	1.8
86.09704	5.9
87.10028	2.0
91.05437	1.3
93.07030	1.0
95.04942	2.7
98.98447	1.3
99.04453	11.6
104.10740	9.3
105.07013	3.0
105.11076	3.4
106.04996	0.9
106.11124	1.1
109.02886	0.9
111.69569	0.7
115.05470	1.8
117.07019	1.8
119.08571	0.6
121.06481	0.7
124.99973	2.2
128.06227	3.8
128.21527	0.5
128.48001	0.5
129.06981	1.4
130.07716	0.6
131.08585	0.9
133.06482	0.8
141.06934	0.7
142.07706	1.2
143.08589	2.4
145.06479	8.5
145.10123	2.2
154.07799	0.5
155.05969	0.5
157.10136	0.9
158.07237	1.2
159.08028	6.5
160.08813	5.5
161.05991	7.4
163.21397	0.6
163.28726	0.6
167.08575	0.6
167.97993	0.8
169.06512	0.8
170.07269	0.8
171.08043	4.6
173.05957	2.0
173.09554	2.7
175.07529	3.6
182.07242	0.8
183.08061	1.7
184.07309	8.3
185.06131	1.1
185.07700	3.8
185.09593	3.0
186.06435	0.9
186.08058	2.7
187.07462	3.3
188.08321	9.2
189.09091	71.1
190.09454	2.1
195.08035	4.1
197.09489	1.2
198.06752	1.6
199.07536	8.5
201.09096	100.0
202.09430	1.9
209.09543	0.8
211.07500	1.3
212.08328	1.3
213.09094	3.8
223.07512	1.2
225.09029	1.8
227.10693	0.8
235.66711	0.7
238.31506	0.6
239.10652	1.0
241.08441	2.9
245.11711	1.2
255.10333	0.9
257.11423	0.8
262.22836	0.7
269.11783	1.3
271.33640	0.6
275.12802	1.3
283.11105	1.6
286.28595	0.6
287.12860	6.6
289.12244	1.7
299.10526	1.0
303.13708	0.7
313.12189	1.2
315.09924	1.3
316.10858	1.4
325.12244	1.3
329.11752	2.6
330.12399	0.8
331.13293	8.0
336.11710	0.7
336.26154	1.4
339.13818	0.8
349.14352	8.6
350.13123	1.6
353.11649	1.3
368.13968	1.7
369.14722	1.0
383.16284	2.3
411.11011	1.0
411.15930	14.0
429.16959	57.9
430.17252	2.5
447.18015	21.9
447.24182	1.0
448.18286	0.9
460.19147	1.5
485.19278	1.3
502.31891	0.7
503.20572	3.3
520.32715	1.1
521.23773	1.4
521.32916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3089
Annotation	Soraphen A
Peak:m/z	Relative Intensity
51.07768	0.5
53.64232	0.5
55.04784	0.4
62.26589	0.4
67.05471	0.6
69.31782	3.0
98.23473	1.1
105.39803	0.4
107.28008	0.5
107.32007	0.6
178.77167	0.5
235.13036	11.3
253.12784	1.0
271.13760	0.8
309.16705	77.7
310.17136	1.8
464.18198	0.5
521.30847	100.0
522.31177	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	521.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20779	0.5
64.96333	0.6
67.05489	1.2
69.68413	1.9
74.72487	0.6
93.07040	0.7
98.22757	1.2
105.07021	0.8
108.17579	0.6
117.27468	0.5
129.92030	0.5
145.10152	0.6
235.13005	11.5
309.16699	72.2
310.17087	1.8
352.47681	0.7
420.79153	0.6
521.30829	100.0
522.31232	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	522.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97070	4.0
72.17423	4.2
81.03397	7.0
81.07052	9.0
89.03925	5.3
91.05481	4.3
95.04972	7.2
97.02892	8.1
97.06557	4.5
98.22612	7.5
109.02880	5.2
111.04419	5.3
117.03352	5.4
133.10158	5.7
135.04401	14.6
137.05965	3.9
145.02788	11.4
163.02637	7.6
163.03905	100.0
164.04259	5.1
181.04898	26.2
307.08197	7.1
325.09705	6.5
403.88593	4.3
518.23407	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79560	0.2
53.03947	0.6
55.01864	0.6
57.03428	1.1
60.20783	0.2
61.02908	0.7
65.03931	2.2
67.05497	1.1
69.03419	2.8
70.06580	0.6
71.04975	0.3
71.43272	0.3
73.02927	0.5
81.03414	1.1
82.04191	1.0
84.04522	0.3
84.08147	0.4
85.02412	0.4
85.02903	6.3
91.03929	0.3
93.03396	0.6
95.04958	0.6
97.02898	2.7
97.06521	0.7
99.04426	0.8
108.02077	0.5
109.02850	1.1
110.03661	1.4
111.04407	0.4
120.08106	0.6
123.04425	0.4
125.05988	1.3
127.03898	1.6
131.04901	0.4
136.07579	0.3
138.03119	0.8
140.04657	1.6
142.02525	0.4
145.04929	0.8
153.05475	3.0
155.07007	0.7
163.03899	0.9
171.06512	3.0
181.04944	100.0
182.05272	1.6
199.06017	0.7
217.08342	0.3
299.05798	0.2
325.09222	0.4
343.10199	20.1
343.77036	0.3
344.10852	0.3
371.00400	0.2
461.78595	0.3
464.32852	0.3
505.15076	0.7
522.21899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72191	1.0
53.03946	2.7
54.21775	1.1
57.03433	5.0
58.90992	1.2
61.02924	8.8
62.82728	1.2
69.03429	14.2
70.97688	1.2
71.04990	2.4
73.02913	3.7
73.66518	1.1
77.64513	1.0
78.52529	0.9
81.03421	3.7
85.02903	82.9
86.69763	1.2
89.03933	3.3
91.03967	8.2
93.84982	1.1
97.02885	23.2
99.04457	3.2
99.21189	1.1
107.04938	1.7
109.02891	5.0
115.28423	1.2
117.03384	5.0
127.03902	17.1
135.04388	12.1
135.05177	1.0
145.02898	9.8
145.04945	35.1
161.01938	1.2
163.03900	100.0
163.05911	14.1
164.04294	1.4
181.04950	59.2
388.02719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01942	4.4
50.04457	3.5
51.88325	4.0
57.03431	5.1
61.02925	23.5
65.97562	4.7
69.03424	7.5
69.19969	24.3
70.06581	5.8
73.02913	11.7
81.03412	7.1
84.04554	5.9
84.08143	5.0
85.02898	68.9
89.03908	5.0
91.03950	24.2
97.02893	24.7
109.02905	6.3
127.03906	19.9
135.04364	9.8
145.02885	13.0
145.04945	34.4
151.72046	4.8
163.03909	100.0
163.05974	42.5
181.04947	64.7
349.26810	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	522.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02708	0.5
57.03410	0.5
61.02906	1.2
69.03419	2.4
71.18759	0.4
76.82388	0.4
81.03415	0.9
85.02901	8.9
89.03915	4.1
97.02879	3.6
100.13855	0.4
107.04956	1.3
109.02878	0.8
117.03369	6.2
122.97258	0.4
127.03921	2.1
135.04407	12.5
139.03908	0.5
145.01688	0.7
145.02841	13.5
145.04861	4.3
162.07584	0.9
163.03886	100.0
164.04234	1.4
170.59749	0.5
180.08710	1.3
181.04936	48.2
182.05287	0.9
245.99242	0.4
284.43790	0.5
323.63861	0.5
330.77127	0.5
360.12698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.7
61.02929	34.8
69.03421	17.1
69.61776	12.2
73.02899	11.5
85.02899	90.4
91.03955	42.5
93.02079	3.7
93.45196	3.5
96.59991	3.9
97.02891	41.7
99.04443	7.3
109.02893	7.7
127.03918	52.4
145.04959	55.8
163.06015	100.0
325.11108	11.0
375.36362	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	522.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.6
58.99872	2.8
61.02921	40.7
62.16559	3.2
69.03423	12.8
69.67518	2.6
70.92215	3.3
73.02907	11.2
75.39524	2.6
81.03416	3.5
85.02899	100.0
85.03415	5.6
91.03951	47.9
97.02876	30.5
99.04434	7.8
107.43221	3.1
109.02917	6.3
115.03841	3.0
127.03922	44.5
145.04944	52.7
154.27542	2.7
162.00838	3.1
163.06004	98.9
240.84773	3.3
256.26920	3.1
325.11301	10.3
383.76215	3.7
416.26001	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	522.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.9
57.03437	1.1
58.70979	0.9
58.99580	25.1
61.01136	1.0
63.91946	1.0
65.03929	0.9
67.05499	8.0
69.03419	1.8
69.07063	8.2
70.55806	1.3
70.56134	1.4
71.04984	3.6
73.01145	1.4
76.02224	17.2
76.04006	3.7
79.05479	6.7
80.05037	1.7
81.07054	23.8
83.05001	2.3
83.06109	3.1
83.08620	5.5
84.04505	10.0
85.06523	5.1
86.99041	15.2
87.02698	2.7
88.02215	4.7
91.05483	5.8
93.07033	10.2
95.08602	29.3
97.06524	6.6
97.10152	3.0
99.05555	1.6
99.08085	3.0
105.07008	8.3
107.08611	3.4
109.06541	1.3
109.10167	2.6
111.02683	2.1
111.08068	1.5
113.04206	2.3
115.20087	0.9
116.01671	63.8
117.06979	1.1
119.08573	13.3
121.10152	3.9
123.08088	1.6
129.06624	3.8
130.04967	5.1
133.10143	9.0
135.11671	6.7
135.22505	1.0
137.09660	1.2
137.13237	4.7
141.09145	1.4
142.03224	7.6
144.01126	30.6
145.06059	2.5
149.13316	1.4
159.11708	1.0
161.13248	24.0
162.02191	100.0
163.03857	1.2
170.02711	1.9
179.14307	17.8
181.04950	12.4
181.06404	1.7
187.05386	1.0
191.51314	1.1
197.15375	20.5
215.16441	5.2
229.12715	1.2
237.12985	1.3
245.05872	1.8
247.24359	1.2
255.14024	6.8
269.80762	1.2
272.16824	2.9
273.15161	21.3
290.17764	2.8
300.16107	1.9
340.15848	3.5
341.37341	1.1
358.16803	11.3
376.17761	17.5
393.20486	29.1
447.21545	20.9
504.23157	2.0
522.24854	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	522.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20592	0.7
52.40525	0.7
55.05508	2.3
57.54862	0.7
62.98240	2.0
67.05505	3.6
69.03808	0.7
69.07069	2.4
79.05502	1.4
80.54630	0.7
81.07050	4.3
83.04984	1.1
86.09711	1.3
88.03989	0.9
93.07043	1.1
95.08610	3.0
98.98439	1.0
109.10129	1.4
124.93768	77.9
124.99934	0.7
138.96515	0.7
142.94814	15.5
150.43710	0.8
167.97977	48.7
176.99246	2.0
184.07347	4.2
185.07730	1.5
185.99022	16.8
186.00552	1.3
186.07773	1.0
198.97493	2.2
201.09103	2.6
202.09462	1.6
218.25673	0.8
337.27301	11.6
346.55807	0.8
461.20380	13.5
466.21811	1.2
479.21619	3.6
486.20142	0.9
522.25653	100.0
523.25977	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05509	12.1
57.03437	6.3
57.07068	2.4
60.04505	2.6
60.08159	3.7
62.46080	0.9
62.98263	1.0
65.03928	1.3
67.05498	26.0
69.07063	14.6
69.66957	2.1
69.67347	2.8
69.68392	0.9
71.04991	2.9
71.07380	1.8
79.05482	8.6
80.27396	0.8
81.07049	29.2
81.07505	2.0
83.04978	2.1
83.08616	9.0
86.09689	14.2
87.10026	5.3
88.03986	11.7
91.05473	4.5
93.07040	8.1
93.70419	0.9
95.04932	1.1
95.08600	20.0
97.06506	2.0
97.10168	4.1
98.98445	9.1
99.04434	2.4
105.07016	4.0
106.05035	3.9
107.08611	3.9
109.10150	8.6
115.05414	1.0
119.08588	2.4
121.10159	2.2
123.11704	2.9
124.93775	6.6
124.99995	9.8
126.00424	1.4
127.00430	2.2
133.10115	1.5
135.11690	2.0
143.72968	1.0
145.06523	1.8
147.11700	1.1
155.01051	1.5
159.08080	1.2
160.08498	1.1
161.05975	1.9
167.97972	7.7
184.07318	35.8
185.07680	12.6
186.07782	8.8
188.08224	1.7
189.09050	10.1
190.09404	4.9
201.09088	13.3
202.09415	11.4
263.23715	3.3
337.27338	100.0
338.27701	2.7
345.38943	1.1
350.14697	1.2
350.27045	2.7
409.34738	1.3
412.16080	1.2
418.16855	1.0
418.36478	1.0
429.17035	1.3
430.17325	9.2
448.18237	3.4
461.20370	16.0
462.20532	1.1
482.72861	1.1
496.72198	1.2
522.25665	11.8
523.16547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05511	13.9
56.05026	1.0
57.03440	8.1
57.07063	2.4
60.08171	7.7
61.08496	0.9
65.03928	1.7
67.05500	29.1
69.06711	1.3
69.07066	18.6
69.89452	1.4
69.89783	1.1
70.02982	0.8
70.76592	0.7
71.04995	0.9
71.07365	2.4
79.05485	8.9
81.07052	28.4
83.04971	1.2
83.08617	8.4
85.06522	0.9
86.09700	22.8
87.09554	1.1
87.10030	7.3
88.04000	5.6
91.05471	5.6
93.07049	8.5
95.04915	1.0
95.08021	1.4
95.08601	21.6
97.06516	2.1
97.10157	3.5
98.98458	9.1
99.08061	0.9
104.10741	37.5
105.07036	3.6
105.10385	0.8
105.11059	11.1
106.05016	2.2
106.11201	1.8
107.08588	4.1
109.10146	7.5
111.08093	0.8
111.11723	0.8
119.08572	3.1
121.10129	3.6
123.11694	2.2
124.99995	14.9
125.09632	0.9
126.00356	2.3
127.00457	1.7
133.10115	3.4
135.11682	1.1
147.11728	1.7
149.02351	2.3
149.13245	1.1
155.01022	0.9
161.13242	1.8
173.02069	1.4
184.07333	34.2
185.07695	12.5
186.07774	10.4
193.05011	2.3
212.40257	0.7
260.05576	0.9
263.23746	2.9
295.45721	0.8
322.06213	0.8
337.27341	100.0
338.23965	0.9
338.27634	4.0
350.26855	2.1
462.22397	1.7
504.33734	3.5
513.62323	1.0
521.33954	1.0
522.33923	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.4
67.05505	12.9
69.03417	4.9
69.07066	11.7
69.20417	22.5
71.04987	20.8
79.05486	15.7
81.03416	5.4
81.07048	75.1
81.07503	4.6
82.16234	3.5
85.02896	22.4
87.00835	7.6
91.05483	11.4
93.07034	31.1
95.08620	28.0
97.02934	5.1
97.06517	4.3
98.23537	5.8
105.01857	15.1
105.07037	37.2
107.08588	49.5
109.10152	33.8
119.08578	74.8
121.10144	7.7
123.11681	18.4
127.03916	9.0
127.11180	27.9
133.10112	40.3
135.11691	100.0
143.10675	13.2
145.04930	4.4
147.11682	29.2
149.13290	6.9
153.12753	9.7
161.13252	19.5
163.03827	4.0
163.14854	4.2
203.17950	59.1
221.18990	50.8
231.04988	4.6
249.05988	5.9
487.19528	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80119	0.3
55.05514	1.4
56.05027	1.4
57.03414	0.4
57.07067	0.8
58.06579	1.6
60.08161	16.0
67.05496	1.3
68.60870	0.3
69.07064	2.0
69.33327	0.3
69.45615	0.6
69.46009	1.3
70.06585	0.6
71.07370	7.3
74.06080	0.5
74.09713	0.5
77.90400	0.3
78.54736	0.3
79.05495	1.1
81.07043	1.6
83.08613	1.3
86.09702	50.9
93.03615	0.3
93.07029	1.1
95.08595	1.3
97.06525	0.4
97.10174	0.4
98.09706	1.6
98.98470	4.3
104.10737	93.0
105.11096	0.6
107.08627	0.3
109.10111	0.5
111.08100	0.7
116.10728	1.0
118.55003	0.3
121.10119	0.9
124.99995	29.1
135.11682	0.4
146.44131	0.3
163.01622	0.6
171.63696	0.3
173.17546	0.4
184.07330	100.0
185.07709	0.7
196.07404	0.8
232.08911	0.3
234.98274	0.3
243.49960	0.3
257.75812	0.3
258.11017	1.2
289.08047	0.3
339.28964	1.1
469.03339	0.3
504.34494	8.3
522.35510	27.1
523.35974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.02768	0.4
53.32963	0.4
55.05503	1.5
56.05022	1.7
56.31280	0.4
57.07060	0.5
58.06585	1.1
60.08163	15.9
67.05500	1.3
69.07075	2.2
70.70978	0.8
71.07013	0.7
71.07374	7.1
79.05506	0.5
79.81770	0.4
81.07047	1.3
83.08607	1.4
86.09704	46.7
88.94953	0.4
93.07046	0.5
93.18340	0.5
95.08625	1.3
97.10123	0.9
97.77884	0.4
98.98478	3.3
104.10741	91.2
105.11115	0.5
109.10139	0.6
124.99998	26.8
134.23166	0.4
184.07336	100.0
185.07664	0.8
187.67764	0.4
207.28827	0.5
258.11029	1.7
258.13504	0.5
339.29102	0.9
344.04025	0.5
504.34476	7.9
522.35547	24.9
523.36169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05024	0.6
58.06598	0.3
59.07366	0.2
60.08158	6.0
64.36265	0.1
67.05502	0.3
69.07060	0.4
69.32903	0.3
69.33311	0.4
71.07372	3.1
73.62659	0.1
78.96611	0.1
79.05503	0.1
83.08596	0.2
86.09698	30.5
87.10030	0.2
95.08628	0.2
97.10149	0.2
98.22770	0.3
98.98454	2.9
99.35204	0.1
104.10737	2.9
114.86848	0.1
121.10087	0.2
124.99992	21.3
143.01036	0.2
184.07326	100.0
185.07710	0.8
257.91565	0.1
339.28778	0.2
504.34412	0.7
522.35547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01332	0.3
51.62598	0.3
55.05509	0.8
57.03408	0.4
57.05808	0.5
57.07062	1.6
58.06593	4.0
60.08150	1.6
67.05501	0.8
69.07059	0.6
71.07355	0.4
71.08625	0.7
74.06079	0.9
74.09711	3.9
78.45392	0.3
80.07727	0.4
80.68470	0.3
81.07037	0.9
81.50165	0.3
82.06587	2.8
83.04962	0.8
83.07355	11.8
83.08590	0.5
85.10188	0.5
86.09699	4.7
88.07616	1.9
95.08590	0.8
98.09686	84.3
98.98438	0.7
99.10006	0.7
104.10737	8.8
109.10141	0.5
116.10721	100.0
117.11053	0.8
117.50632	0.4
118.07344	0.4
118.56050	0.4
124.99992	2.8
141.48022	0.4
161.05980	0.5
184.05666	0.5
184.07330	11.4
196.07324	54.4
241.19606	0.4
245.11548	0.4
253.99176	0.4
270.10931	0.5
273.59143	0.4
281.05688	1.7
327.28812	0.8
337.27277	0.6
351.29092	0.4
469.19788	0.5
487.21063	0.9
504.34473	6.1
505.22485	0.4
522.35541	24.1
523.35748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05026	0.7
56.99871	0.3
57.03430	0.3
57.75361	0.2
58.06612	0.6
60.08158	8.9
67.05492	0.6
69.07054	0.7
69.64294	0.4
69.64644	0.6
71.07369	4.6
79.05464	0.3
80.42405	0.2
81.07051	0.5
82.73817	0.2
83.08614	0.5
86.09699	36.0
93.07047	0.5
95.08562	0.3
97.10153	0.2
98.23385	0.3
98.98457	3.5
104.10736	25.3
105.11048	0.4
122.59053	0.2
123.40065	0.2
124.99995	23.5
143.01074	0.2
160.40012	0.2
163.01573	0.4
169.50801	0.2
184.07329	100.0
185.07681	0.9
258.10999	0.4
258.29935	0.3
339.28882	0.4
470.58847	0.2
504.34323	2.5
522.35602	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	523.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59518	0.4
53.03947	0.4
55.01857	1.0
57.03434	1.1
59.01568	0.4
61.02918	0.5
65.03943	2.8
66.20840	0.4
67.05504	1.2
69.03416	2.1
70.06577	0.9
71.04974	0.5
73.02898	0.8
74.63567	0.4
79.05524	0.5
81.03407	0.8
82.04195	1.1
83.37518	0.5
85.02901	6.6
93.03390	1.2
95.04954	1.0
97.02884	2.5
97.06515	1.0
97.15581	0.3
99.04445	0.4
108.02108	0.5
109.02880	0.8
110.03650	1.1
111.04452	1.1
120.08135	0.5
123.04385	0.4
125.02378	0.4
125.05972	1.0
127.03888	1.3
138.03117	1.0
140.04683	1.8
142.02682	0.7
145.04919	0.5
153.05469	2.9
154.05775	0.4
155.07097	0.4
157.47295	0.4
158.56207	0.4
163.03932	0.4
163.07565	0.4
171.06554	4.1
181.04944	100.0
182.05295	16.6
199.04181	0.4
199.05891	0.9
256.34155	0.5
343.10214	14.6
344.10504	5.4
480.75110	0.5
523.23444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02465	2.9
56.96556	11.1
63.04561	2.6
69.98433	8.5
84.96065	7.0
87.00806	2.4
94.35565	3.0
98.97581	78.3
109.02942	2.9
112.99120	11.3
114.07054	2.7
116.98621	34.6
131.00148	17.8
134.99649	9.3
149.01212	11.5
158.99677	25.1
159.11702	2.9
162.99165	4.0
173.01265	22.6
177.00674	25.6
177.42421	2.7
183.03281	4.9
191.02251	24.6
201.00630	10.9
201.04367	14.7
219.01736	12.1
233.03346	4.3
243.05392	16.6
255.05460	3.4
257.06976	10.6
262.22443	3.6
289.05194	9.1
305.02762	22.3
317.14206	8.4
479.20654	12.8
505.18921	5.1
523.19366	100.0
524.19452	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	523.2146
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
53.27995	0.7
56.30080	0.7
61.93190	0.8
67.05518	1.1
67.82713	0.7
70.70527	1.2
71.52785	0.8
78.62049	0.8
80.80933	0.6
87.30449	0.7
89.16611	0.8
93.07064	1.3
98.22826	1.0
121.10162	1.2
151.03926	1.5
169.04787	0.9
175.07379	1.2
245.06331	2.7
246.33716	0.8
257.15100	11.7
259.16788	1.9
275.16141	11.7
276.16080	1.3
287.03763	2.5
289.05240	17.0
303.15768	2.1
413.13837	0.9
419.20447	2.5
437.21414	9.8
451.15430	0.8
479.22473	35.7
480.22577	1.4
505.20132	3.0
523.21472	100.0
524.22131	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	523.22
Annotation	Isobrucein A
Peak:m/z	Relative Intensity
50.95062	1.5
59.42398	1.9
60.05639	2.9
62.06076	2.5
84.92202	1.7
86.09715	2.4
104.10753	4.1
116.72623	1.8
184.07397	2.7
301.91769	2.3
416.56189	1.9
467.03775	2.0
523.21960	100.0
524.22595	2.3
534.71460	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	523.2877
Annotation	yanuthone G
Peak:m/z	Relative Intensity
67.05517	1.1
69.03402	0.7
71.00329	0.9
79.05487	0.6
81.03448	0.5
81.07046	1.9
85.02909	1.0
91.05478	0.6
91.62048	0.5
93.07002	0.6
95.05009	0.6
95.08604	2.2
98.74418	0.4
105.06997	0.7
107.04950	0.5
107.08578	0.8
108.26809	0.5
109.10141	0.5
117.35911	0.5
121.10155	0.7
123.11768	0.8
129.55574	0.5
135.04456	0.8
147.11649	0.6
163.03900	6.8
163.05159	0.7
163.07564	0.9
181.04971	0.6
183.03319	0.5
203.05246	34.5
229.86986	0.4
343.22406	44.2
344.22824	1.9
433.64633	0.5
454.62680	0.7
481.16965	0.5
516.57281	0.5
523.28748	100.0
524.21661	0.7
524.28870	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	524.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05492	3.5
57.03428	9.1
61.02914	2.1
67.62144	1.4
68.88689	1.3
69.03419	3.9
69.14705	2.6
69.15117	8.7
70.06595	7.8
71.04987	72.0
72.08144	2.1
73.02911	2.2
75.04464	4.0
79.05492	2.5
81.03404	3.6
83.04980	13.2
84.04506	2.4
84.08118	5.5
85.02898	100.0
86.09696	4.2
91.05470	2.6
93.07021	3.0
95.04944	5.2
95.08591	2.6
97.02885	7.5
98.06029	1.6
99.04462	2.0
102.59465	1.3
105.06986	2.0
107.08597	2.9
109.02888	1.7
111.04446	5.3
113.08627	1.4
119.08565	2.9
123.04406	4.0
123.08005	1.7
127.03908	3.9
129.05463	37.8
129.10252	1.7
133.02811	2.2
135.08072	2.2
136.07576	1.4
137.02367	3.2
140.04662	12.3
145.04944	3.4
147.04494	1.9
147.06500	17.5
155.07005	7.3
159.72740	1.5
163.07515	2.2
165.09120	3.0
181.04958	9.8
199.05980	19.8
207.06395	1.8
207.13788	4.5
225.03940	3.7
225.14880	2.9
238.16116	1.5
251.05470	2.5
263.14636	1.7
291.08630	2.1
318.53378	1.5
327.10797	3.7
524.17126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28403	0.7
51.24562	0.8
53.24858	0.9
55.01863	6.4
55.05273	0.8
55.05503	4.3
55.96942	0.7
57.03437	1.3
67.05500	11.5
69.03421	1.6
69.07061	7.3
70.63367	0.9
71.04984	1.3
71.82066	0.9
72.84458	0.7
79.05485	6.4
81.07052	31.5
83.04975	3.3
83.08616	4.2
85.02894	6.7
85.06544	2.5
91.05470	10.7
93.07042	5.6
95.04951	1.3
95.08603	7.0
97.02901	1.9
97.06525	3.4
99.00802	6.5
99.08070	2.0
101.06010	0.9
105.07021	20.4
107.08580	6.3
109.06503	2.6
119.08573	13.3
119.09396	1.0
121.10132	12.1
123.08081	2.7
123.11697	14.7
127.03912	0.9
127.07637	1.2
129.07018	1.0
137.13271	3.2
141.09105	1.0
145.04936	1.6
146.54993	0.9
147.11670	61.9
148.12038	1.5
157.10091	1.7
162.07764	0.9
163.03877	1.7
163.11296	0.8
165.12737	46.0
175.11153	0.9
180.08688	2.6
183.13751	4.8
193.12209	1.8
229.14339	27.6
230.80470	0.8
264.45667	1.1
281.13776	4.1
303.71341	0.9
307.83942	0.9
309.13306	12.8
327.14346	100.0
328.14749	3.4
342.06927	0.8
376.93411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82240	0.6
55.01866	3.6
55.05495	2.9
62.06097	0.6
62.12686	0.7
66.66673	0.7
67.05500	3.8
69.07085	3.7
69.34329	0.6
70.05789	1.8
71.07635	0.6
74.53440	0.7
79.05486	3.6
79.30279	0.6
81.07048	18.1
83.04967	2.2
83.08606	1.1
91.05477	2.7
93.07036	3.6
95.04935	0.7
95.08600	5.1
97.06538	1.1
105.07023	1.9
107.08590	4.1
109.06512	9.4
109.10159	2.2
111.04441	15.1
113.05987	0.7
115.17843	0.7
119.08578	3.4
121.10143	3.9
123.08047	2.0
123.11688	2.2
125.05970	4.7
131.08563	1.4
133.10109	3.2
135.08076	3.4
135.11679	4.2
137.05966	100.0
137.13225	2.1
138.06276	0.9
143.08479	0.8
145.10143	1.8
147.08067	1.3
147.11639	5.3
149.09598	2.7
149.13248	1.9
151.07544	2.7
151.11182	0.9
157.10100	1.6
159.11720	1.1
161.09604	6.9
161.13240	2.0
163.11174	3.4
165.09129	2.6
167.10664	0.8
173.13242	0.8
175.11166	6.7
175.14796	1.1
177.12729	0.8
179.10678	2.1
189.12701	1.3
203.17926	5.9
205.19588	0.9
213.16444	3.4
216.06410	1.5
221.19022	2.3
223.14754	1.1
230.19122	0.8
231.17442	8.8
241.15814	1.1
249.18492	6.6
277.17953	50.8
278.18481	1.7
295.19058	9.9
309.20627	0.7
320.22116	3.3
351.21628	49.4
352.21982	2.1
383.24231	41.5
384.24518	1.8
431.18246	2.4
474.22058	1.1
492.23477	2.2
524.21191	1.0
524.36273	0.8
547.14990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.4
67.05503	20.9
69.07059	17.7
69.82516	7.4
75.45046	5.4
79.05492	21.7
81.07050	55.8
83.08614	7.4
91.05480	17.2
93.07040	26.9
95.04979	6.8
95.08604	36.1
95.86838	4.8
97.10141	5.0
98.23542	4.9
105.07029	51.8
106.98229	4.8
107.08577	40.7
107.09151	4.3
109.06569	6.7
109.10164	35.6
117.07019	16.1
117.48248	5.1
119.08582	47.6
121.10156	21.0
123.11707	15.1
129.06996	10.7
131.08548	30.8
133.10150	28.3
135.11662	7.2
141.06955	7.3
142.07748	17.4
143.08560	28.2
144.09282	7.1
145.10107	53.5
147.11659	13.0
155.08557	22.0
156.09373	14.1
157.10117	54.2
159.11670	77.2
161.13303	10.7
169.10109	34.4
170.10782	7.8
171.11687	39.8
173.13235	25.2
175.11136	5.5
175.14807	6.7
179.72063	5.0
182.10893	7.8
183.11691	31.9
185.13239	29.6
187.14851	16.0
197.13237	32.6
199.14888	17.3
211.14784	43.3
225.16451	18.1
239.17876	7.6
267.21088	100.0
285.22037	34.2
288.18927	5.3
327.23181	30.8
330.50500	4.9
345.24258	21.0
514.59369	6.3
525.29846	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	524.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88920	0.3
56.05020	1.4
57.03439	0.7
57.07069	3.3
58.06606	1.5
59.07350	0.4
60.08158	17.7
60.08468	0.9
62.06087	0.6
67.05495	0.8
69.07051	0.8
69.26987	1.6
71.07367	7.6
71.08615	1.6
79.64333	0.3
81.07053	0.7
85.10180	0.6
86.09698	51.9
87.10052	0.5
87.26327	0.4
89.05991	0.3
95.08595	1.1
97.10110	0.4
98.98455	4.2
104.10734	100.0
105.11078	0.9
124.99995	29.3
158.96104	0.4
163.01523	0.6
184.07326	98.8
185.07776	0.4
258.11072	0.9
263.22342	0.3
318.19995	0.4
341.30472	1.4
447.28711	0.5
457.66980	0.5
506.36026	7.4
507.36261	0.4
524.22247	1.1
524.37061	24.2
525.37439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.5
57.03447	11.0
59.04987	5.7
64.16974	1.9
65.03938	3.5
67.05501	100.0
67.92963	2.1
69.07064	5.9
69.26943	5.0
69.27351	8.2
79.05484	18.8
81.07047	31.9
82.57284	2.3
83.08610	3.0
85.06520	2.7
91.05483	17.0
93.07031	23.0
95.08608	25.5
98.22723	2.5
98.66524	2.0
102.89872	2.3
105.07019	7.6
107.08585	10.0
109.10147	70.2
119.08582	9.2
121.10151	9.2
123.11738	4.3
131.08582	6.6
133.10133	3.5
135.11650	4.8
137.09587	3.5
144.75060	2.5
145.10040	2.3
147.11697	3.8
149.13257	2.9
155.10651	6.6
159.11766	2.5
161.13268	2.4
163.14810	4.4
173.11723	27.3
173.13156	2.8
210.39752	2.1
227.12964	2.6
229.14337	94.9
243.20924	2.9
261.22144	18.1
335.25775	88.1
336.26099	5.4
489.35797	51.5
490.35522	3.6
548.10822	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	525.1605
Annotation	CHEBI:69802
Peak:m/z	Relative Intensity
51.02372	0.1
53.03931	0.5
55.01871	0.3
57.03426	0.4
65.03938	4.1
67.01871	0.2
67.05500	1.7
69.03423	1.9
69.07042	0.1
70.62213	0.3
73.07686	0.2
77.03910	0.2
78.01051	0.1
79.05501	0.7
80.70182	0.1
81.02966	0.2
81.03416	4.1
81.03898	0.3
81.07053	0.7
82.04186	1.5
83.04955	0.2
85.02408	0.2
85.02902	3.9
91.05461	0.5
93.03385	1.1
93.07043	0.4
95.04958	2.4
97.02888	1.4
97.06527	1.2
99.04435	0.4
104.03326	0.1
105.04498	0.2
105.06994	0.2
107.04969	0.1
108.02088	0.6
109.02876	1.3
109.06503	0.8
110.03655	2.0
111.04462	0.8
119.04949	0.3
121.10134	1.3
122.10480	0.3
122.12281	0.1
123.00782	0.4
123.04428	0.9
123.11701	0.2
125.02300	0.3
125.05997	1.2
127.03918	0.6
137.02271	0.2
137.05960	0.8
138.03104	1.2
139.03925	0.2
140.04666	5.1
141.30594	0.2
142.02573	0.7
145.04968	0.4
147.04416	0.4
149.09605	0.2
153.05438	3.2
155.07018	2.8
163.03888	0.5
165.05486	1.0
166.02498	0.2
167.03346	0.2
167.10638	0.6
168.10980	0.3
171.06526	4.5
181.04942	100.0
182.05298	1.7
183.06503	0.8
184.03677	0.2
199.05998	5.3
200.09129	0.2
201.09575	0.2
283.08206	0.2
325.09167	5.3
343.10202	2.5
446.86197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05325	2.1
50.56049	2.4
50.84165	2.2
51.58401	2.1
52.67871	1.9
53.03947	12.2
55.01882	11.7
57.03427	5.9
61.02910	8.3
68.99797	6.7
69.03424	41.2
69.37333	13.8
70.06585	6.8
71.04986	21.0
73.02923	11.9
81.02962	3.8
81.03413	45.3
82.56706	2.3
83.04977	2.6
85.02898	100.0
85.03419	4.9
87.00827	33.8
87.64088	2.2
91.03934	2.6
91.05452	2.9
97.02892	39.1
99.04455	55.3
105.01864	28.0
105.07005	16.3
109.02869	47.8
109.06529	3.6
110.07159	3.7
115.03938	2.6
116.09128	2.3
117.01866	6.0
127.03905	83.1
129.01823	5.1
133.10165	3.0
145.04948	43.4
147.02875	3.8
149.09612	5.7
159.02881	28.9
161.09599	10.9
177.04044	3.2
189.05441	5.5
195.02921	2.8
213.03902	40.0
231.04971	38.3
249.06088	3.6
259.09619	3.2
259.13373	3.5
259.16647	5.4
277.14374	2.7
277.17615	5.8
289.05298	12.7
290.05579	3.8
291.05936	4.2
323.16037	2.3
347.09711	7.1
365.10699	4.1
439.23157	19.5
445.76862	2.9
481.24042	26.8
507.21976	7.8
525.15179	4.1
525.22949	79.0
526.22925	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	525.2107
Annotation	CHEBI:69823
Peak:m/z	Relative Intensity
56.96560	12.0
63.28127	1.9
67.05517	3.3
69.03428	2.3
70.06593	7.6
71.44134	1.9
83.06153	1.9
84.96064	5.2
85.02962	2.0
87.04461	4.8
91.05472	4.8
93.07052	2.6
95.08633	2.3
98.97578	34.0
98.98179	3.4
104.05428	2.6
104.07104	6.6
109.10120	2.4
110.07172	6.2
110.97596	3.5
112.99142	3.5
116.98595	18.7
119.08620	3.2
128.98605	4.5
131.00200	7.8
134.99687	6.1
136.54533	1.9
146.99648	5.0
149.01277	3.7
158.99657	10.2
173.01184	4.6
177.00674	11.3
191.02402	3.7
207.19624	2.0
208.09723	3.9
217.16530	1.9
219.01791	8.7
237.02773	12.8
277.14905	4.0
279.03946	2.8
289.05338	2.2
303.00681	10.5
305.02563	7.0
306.73065	2.1
311.27310	2.3
355.14352	5.0
373.15500	6.4
397.15405	3.8
421.19083	8.1
439.20004	22.5
463.20593	2.8
475.45810	2.7
481.21307	25.3
507.19955	51.7
525.21118	100.0
525.29962	14.0
525.42395	2.7
526.21735	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	525.2102
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
69.78550	9.3
70.06588	10.8
72.08141	2.5
75.17289	2.2
79.23459	2.3
81.07018	3.7
86.09701	2.7
91.05505	3.4
93.07030	3.2
95.08589	2.7
98.22752	5.4
98.97576	8.1
110.07151	7.9
115.66752	2.6
116.98620	8.1
119.08573	2.6
121.15835	2.4
147.11734	3.0
158.99661	4.6
177.00740	5.6
250.00574	3.2
276.61179	2.4
277.14700	6.7
303.01114	5.3
305.02649	27.2
316.75455	2.6
319.15854	8.6
439.20197	15.0
451.25482	3.0
459.76480	2.6
481.21707	17.5
507.21381	4.0
525.13007	5.2
525.21039	100.0
525.29285	6.2
526.21167	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	525.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
57.24403	0.5
63.75688	0.5
68.04989	0.6
79.05446	1.1
81.07038	0.4
88.02178	1.2
91.05480	2.4
93.07011	1.2
98.22681	1.2
100.04486	0.5
100.11280	0.6
105.07019	4.4
117.06962	0.7
119.08543	1.2
131.08549	0.6
133.10141	2.6
134.02721	0.7
135.08006	0.6
174.36264	0.4
198.10422	0.8
203.05229	1.8
226.09875	2.1
227.05214	0.8
241.12169	1.8
243.04745	0.5
245.06313	7.1
257.11707	8.4
259.16699	11.2
277.17706	2.1
287.03790	3.8
289.05267	100.0
290.05563	2.6
377.02036	0.5
391.16403	0.4
439.23199	0.7
471.81387	0.6
481.24109	7.0
525.23041	48.1
526.23212	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	525.2306
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
63.47494	0.3
67.05524	0.5
69.03442	0.7
69.50513	1.5
70.06602	0.9
71.24547	0.3
79.05495	0.7
81.03426	0.8
81.07051	1.3
85.02908	0.6
85.06549	1.5
93.07053	1.1
99.08098	1.4
105.07022	0.6
107.08581	0.6
109.02834	0.6
109.06503	0.5
110.07123	0.6
119.08594	0.7
121.05196	0.4
121.10166	0.6
123.11686	0.4
127.00060	0.7
127.03931	0.7
135.11685	0.5
137.02118	0.4
139.31149	0.4
147.11691	0.5
155.03178	0.4
165.12762	0.4
169.01080	0.6
171.45523	0.4
173.04280	0.9
201.03685	0.5
215.05334	1.4
243.04703	3.9
259.04367	1.2
259.20627	1.6
261.18240	4.9
279.19370	2.5
287.03720	21.6
288.03885	0.4
321.20322	0.6
421.21997	0.9
439.23099	2.2
441.25476	0.4
463.22977	5.5
481.24042	17.9
482.24274	0.8
507.21979	46.5
508.22171	2.0
525.23022	100.0
526.23438	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	526.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	16.9
70.88718	9.4
78.77857	8.2
84.70524	8.2
85.02888	17.2
87.00816	8.6
93.83958	8.1
97.02908	14.0
98.23504	17.9
100.11242	34.9
104.94596	8.7
127.03916	32.5
156.13863	14.3
161.05946	24.3
165.62057	8.2
182.15421	18.3
197.09612	10.2
210.14845	23.7
215.10657	36.3
219.10330	8.4
225.09126	23.9
243.10139	100.0
285.11240	9.9
332.69598	9.8
355.66025	8.8
447.16177	16.4
491.15286	27.4
509.37234	13.1
526.39429	26.7
548.28394	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	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01876	2.0
55.05509	12.5
57.03440	3.2
67.05499	1.2
68.15580	1.0
69.03426	10.1
69.19150	4.2
69.19556	2.0
73.02921	3.3
79.05505	1.5
81.03416	6.5
83.04975	100.0
84.05323	1.0
85.02902	18.4
87.00813	5.8
91.05480	1.3
97.02885	7.6
98.22685	2.5
99.04425	2.6
105.01867	4.4
105.07008	1.8
107.04980	1.3
109.02867	7.9
127.03925	13.8
128.06255	1.1
129.07004	2.0
131.08533	1.4
141.06996	4.4
143.08463	1.3
145.04964	5.6
145.06453	1.3
153.07013	1.6
154.07732	5.9
157.06558	1.1
158.07289	2.6
159.02913	3.9
159.08105	2.3
159.11685	2.5
161.05963	2.7
169.10098	13.5
172.08784	7.3
173.09624	3.4
175.07510	2.3
177.05472	2.0
178.07762	1.4
179.08562	3.9
182.07251	6.8
183.08049	1.4
183.17482	1.3
187.11177	5.8
189.92018	1.0
197.09587	14.0
197.11278	1.7
198.06613	1.2
199.07529	2.4
200.08308	6.9
201.09096	4.2
205.05034	2.0
213.09143	3.3
215.10658	80.2
216.10956	1.4
217.08133	1.1
225.09074	8.2
228.07762	3.0
231.04994	2.9
239.10544	1.5
241.08615	3.2
243.10147	99.3
244.10460	3.7
255.10107	2.1
257.11758	2.8
261.11160	8.7
269.08054	6.4
273.11340	1.8
285.11285	2.6
323.12851	1.3
391.10132	7.2
405.15424	1.5
417.15244	1.4
491.15421	53.4
492.15759	4.4
526.23431	5.6
527.15424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.9
55.05514	15.0
57.03433	2.1
69.03409	4.2
70.54342	1.4
70.54671	2.3
70.87438	1.2
79.05470	1.5
81.03410	5.5
83.04980	100.0
84.39282	1.6
85.02908	7.9
87.00832	3.1
95.04945	1.5
97.02885	4.1
99.04482	2.5
102.28070	1.3
103.03932	1.5
105.07060	1.3
109.02876	4.5
116.21096	1.1
118.11573	1.4
127.03903	7.6
137.05998	1.3
145.06464	1.6
158.07259	1.6
159.08060	1.5
159.11674	2.4
161.05956	2.8
167.08549	1.3
169.10048	1.3
172.08804	7.5
173.09599	2.1
174.06635	1.3
182.07259	3.0
184.88795	1.4
187.07521	1.7
187.11180	4.4
197.09691	2.1
199.07458	1.3
200.08308	6.2
201.09027	4.2
215.10664	56.2
216.10876	2.3
225.09164	1.2
226.09827	1.6
243.10144	37.4
244.10458	1.6
273.11127	1.5
285.10913	1.3
288.03937	1.3
289.05209	3.0
290.05716	1.3
369.85767	1.5
447.16702	6.2
464.23090	2.8
482.24307	4.6
491.15491	56.4
492.15561	2.7
508.22202	9.6
526.23285	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	526.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01863	3.4
57.03449	2.2
65.03922	1.5
67.05499	1.8
69.03427	8.2
70.12074	2.9
77.03923	2.5
79.05486	3.4
81.03426	4.8
85.02901	27.7
85.05900	1.3
91.05480	18.4
93.07043	67.2
95.04967	17.4
97.02913	7.6
97.06543	1.8
99.04466	2.0
103.05470	3.5
105.04520	4.0
107.04966	1.2
109.02886	3.3
114.14692	1.6
117.98698	1.4
121.06503	62.4
122.06858	1.6
123.04432	5.2
126.03137	1.4
127.03931	10.1
131.04897	4.9
139.07536	7.3
145.04965	15.3
149.05975	100.0
150.06360	2.1
163.06030	8.6
167.07040	33.2
173.04460	5.7
174.59825	1.2
179.14841	1.2
191.05476	1.4
213.91029	1.6
256.90179	1.6
293.10172	3.2
308.99475	1.3
311.11185	8.5
325.11264	1.4
545.69135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
57.03424	4.7
61.02922	35.5
69.03424	11.9
69.09817	3.9
70.50995	8.4
73.02915	13.8
79.05504	3.4
85.02409	5.6
85.02907	89.4
89.28046	4.1
90.90041	3.8
91.03958	41.2
91.05477	10.6
93.07043	24.5
95.04957	12.8
95.06589	3.7
97.02903	30.7
108.30080	3.7
111.08082	12.0
121.06506	68.0
121.07319	4.8
125.05993	4.4
127.03897	25.8
131.04930	4.5
135.06013	3.9
139.07515	16.1
145.04964	48.6
149.05945	26.5
162.80072	4.3
163.06018	55.8
167.07033	100.0
219.86371	3.7
221.23557	4.3
240.86913	4.0
272.06570	17.7
272.56580	4.8
311.11115	5.0
325.11508	4.5
331.99231	3.8
353.09152	7.8
408.51172	4.1
527.15436	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	526.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
53.04676	1.5
55.01859	3.5
55.05495	2.5
56.05021	1.7
57.03430	5.1
61.02924	10.0
67.05491	3.1
68.86082	1.4
69.03431	19.2
70.06583	4.3
71.01338	1.6
71.04989	4.2
73.02904	4.2
79.05484	5.8
81.03421	8.9
83.04978	1.7
84.08147	2.3
85.02905	100.0
87.04494	2.3
91.03961	6.7
91.05486	9.8
93.07041	21.9
95.04963	10.5
95.08627	3.3
97.02894	23.7
97.06523	5.2
99.04436	3.9
103.05409	1.5
104.87649	1.5
105.04521	1.7
109.02896	8.0
109.06509	2.5
109.10190	1.9
111.08076	8.6
112.39307	1.4
121.06505	44.9
122.07156	2.2
123.04424	2.9
123.08149	1.6
125.06002	1.4
127.03913	25.7
127.94049	1.5
139.07532	11.4
145.04953	60.3
149.05989	20.9
163.06004	27.5
165.69687	1.4
167.07042	61.1
167.10657	1.7
176.64827	1.4
191.54387	1.4
203.05327	4.0
210.14821	1.7
289.09103	2.3
325.11240	5.6
346.22076	2.8
347.09454	7.5
351.87039	1.4
365.08316	2.7
417.36206	1.6
435.55991	1.5
475.21606	1.7
508.27371	2.1
527.13422	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	526.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70866	1.2
53.03942	2.3
53.68378	1.3
54.84578	1.3
55.01880	1.5
55.05499	3.2
57.03430	3.7
57.29895	1.3
61.02916	4.7
61.73773	1.5
67.05503	5.1
69.03433	12.1
69.07069	3.0
69.15481	3.0
69.15887	7.7
70.06602	7.1
71.04991	6.1
73.02908	1.7
79.05495	5.7
81.03430	6.4
81.07055	12.9
85.02898	40.3
91.03953	1.7
91.05466	13.5
93.07040	31.8
95.04954	5.2
95.08600	20.2
97.02879	12.6
97.06525	11.0
99.04475	7.9
103.03884	1.7
105.07037	7.9
107.08597	18.9
109.02837	2.5
109.06510	9.4
109.10180	4.2
111.04465	1.6
116.06256	2.7
119.08594	2.6
121.06500	3.3
121.10139	25.2
123.08061	29.8
123.08891	1.9
123.11736	2.3
125.09644	3.8
127.03902	9.7
129.07013	3.0
131.08568	36.8
133.06494	1.7
134.07202	1.5
135.08026	2.4
139.11183	2.8
145.04968	13.2
145.10106	2.3
147.08018	1.5
148.07576	5.6
149.09610	86.9
150.09970	2.3
151.11192	3.6
163.05994	6.8
165.09111	43.5
166.08669	3.1
167.10672	100.0
174.06297	1.6
179.10657	2.9
179.39169	1.3
181.04965	3.5
182.47400	1.7
185.11726	4.9
209.11772	2.2
275.12943	2.0
293.13901	2.3
300.06195	1.5
311.14865	6.1
328.13907	3.4
329.15817	2.4
508.17261	1.7
526.19171	2.4
540.35156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.9
62.98260	3.9
65.03934	4.9
66.81247	3.6
67.05511	12.1
71.04984	5.4
71.46597	3.3
78.46777	3.5
79.05483	16.1
81.07058	15.7
83.04976	16.2
85.06534	3.9
89.14761	3.4
91.05489	48.1
93.07040	24.1
95.04967	22.4
95.08601	7.3
97.06544	7.0
98.23507	11.3
105.07034	78.4
107.04948	4.7
107.08591	11.6
109.06507	9.9
115.05451	13.8
117.07014	67.5
119.08588	26.8
121.10111	6.9
128.06213	17.1
129.06985	43.9
130.07819	12.6
131.08571	52.0
133.06476	4.7
133.10106	31.1
135.04359	4.1
135.08058	7.2
141.07016	10.1
142.07771	15.5
143.08559	53.6
145.06490	5.8
145.10112	93.9
147.08066	9.0
147.11678	6.5
149.02353	17.5
149.09691	7.8
153.06970	4.3
154.07797	3.8
155.08557	22.2
156.09346	7.0
157.10121	33.7
158.07301	7.3
159.08057	3.7
159.11716	12.4
161.09598	17.4
161.13187	4.5
163.11145	4.8
165.07057	6.5
169.10136	7.7
170.10977	4.7
171.08058	7.2
171.11714	11.1
173.09621	100.0
175.07571	4.0
175.11223	15.4
180.09270	4.3
185.13217	30.6
189.12740	9.2
191.10672	19.0
193.04953	22.6
195.11713	13.6
203.14288	20.3
213.12770	28.6
219.51193	3.5
231.13789	57.5
237.07593	40.3
249.14929	9.3
275.28223	3.5
391.84921	4.0
411.56195	3.7
526.27924	10.0
528.23627	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	526.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.4
57.03431	11.8
57.07071	4.4
59.04998	3.6
65.03925	2.1
65.47865	1.4
67.05504	100.0
69.07066	13.2
69.50534	7.3
71.04985	3.6
78.80980	2.0
79.05477	9.2
81.07052	35.9
83.08629	10.0
85.06530	2.1
89.06013	6.6
91.05479	11.2
91.05963	1.8
93.07043	10.8
95.04966	2.8
95.08607	22.0
97.06493	2.5
97.10153	1.8
98.22741	2.4
105.07030	2.0
107.08623	2.5
109.10155	55.8
111.08046	3.4
119.08597	5.8
121.10154	2.5
123.11681	2.8
128.64340	1.6
129.52681	2.1
133.08594	2.5
133.10129	3.3
136.48193	1.8
155.10637	4.0
163.72188	1.7
173.11693	14.9
209.44069	1.9
216.86172	2.2
229.14343	67.2
241.17398	1.7
245.22697	2.7
327.20032	3.2
337.27353	55.3
491.37280	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
55.77768	0.9
57.07073	60.6
65.53703	1.1
69.07072	9.5
69.84286	1.8
69.84656	1.7
71.08625	56.9
73.06543	4.2
82.32576	1.0
83.08606	2.9
84.79832	0.9
85.09692	2.2
85.10176	29.8
87.04457	3.9
89.06025	100.0
97.10168	2.9
98.23327	1.4
99.11720	7.3
107.90984	1.1
111.11714	3.9
113.13268	5.6
117.09128	4.8
125.13245	2.8
127.14839	4.0
130.08649	1.3
133.08591	69.8
174.63557	1.1
177.11212	23.4
183.21078	1.5
195.12309	1.6
221.13820	6.4
227.23700	2.2
239.14891	3.5
265.16608	1.2
271.26324	2.9
283.17471	4.6
315.28943	5.0
327.20096	21.2
421.35257	1.5
425.28085	1.1
465.38083	1.8
509.40448	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	527.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09266	1.0
54.19612	0.8
68.39176	0.8
69.07976	5.6
76.37378	0.8
76.53841	0.8
98.97601	3.0
116.98631	1.8
135.07996	0.9
163.43336	0.8
216.99010	2.1
218.98679	1.2
225.57919	0.9
234.99973	5.4
236.00082	1.7
236.99789	4.1
240.98962	2.9
241.99106	1.4
242.98827	3.1
252.07726	0.9
253.00986	1.4
255.00899	0.9
258.99982	15.8
260.00067	6.9
260.99796	19.6
261.02737	1.2
261.99899	1.2
274.97910	1.0
276.97882	3.1
277.00928	15.0
278.01138	7.2
279.00845	16.4
282.99976	23.3
284.00076	10.9
284.99777	25.7
286.00223	0.9
294.98871	1.2
300.97806	2.1
301.01013	29.0
302.01144	13.1
303.00885	26.0
304.01047	2.6
316.99100	1.6
318.98938	6.5
319.02069	1.3
336.46283	0.9
342.98788	1.6
359.00491	4.0
360.00183	2.8
360.99933	16.7
364.99133	1.3
366.98672	4.2
383.00189	3.7
384.00287	2.8
384.99884	14.0
385.99896	1.2
398.97797	1.1
401.01141	17.0
402.01312	13.9
403.01007	77.6
404.01047	5.2
421.02289	1.1
425.01324	1.8
426.01849	1.8
427.01099	1.7
443.02820	4.7
444.02563	6.2
445.02106	6.5
485.00201	2.0
485.98196	1.0
509.00146	11.1
509.99991	1.1
527.01147	100.0
528.01257	8.9
544.98645	1.9
550.03491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77502	0.5
56.71138	0.5
69.04149	0.5
69.65741	1.1
69.66121	1.0
85.02889	0.7
85.82488	0.5
103.04544	0.5
105.56850	0.5
108.37907	0.5
164.59608	0.6
172.79929	0.6
185.04251	2.1
201.03568	0.6
203.05247	1.3
259.07941	2.1
347.09476	46.7
348.09653	1.0
365.08420	12.0
472.98795	0.7
527.13708	100.0
528.14075	3.9
541.32062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1583
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
72.66442	0.5
132.53575	0.4
185.04243	1.4
203.05249	4.2
275.07333	0.6
305.08292	1.1
347.09576	3.0
365.10532	37.9
366.11050	0.9
407.10938	0.9
437.12729	0.7
467.13672	2.4
468.25439	0.5
527.15790	100.0
528.16095	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	527.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96949	0.4
74.78067	0.4
76.13544	0.5
89.00336	0.4
101.00848	0.8
103.74117	0.4
113.00811	0.6
119.01875	0.9
127.32388	0.5
131.01836	1.3
131.45314	0.4
137.01830	0.6
142.06920	0.6
143.01846	1.9
146.93460	0.4
152.02409	0.6
155.01892	7.8
161.02924	1.4
164.02313	0.5
173.02959	9.0
177.16386	0.4
185.02794	2.3
185.03754	0.6
185.04298	1.2
194.03548	1.0
203.05348	6.1
215.03990	0.7
224.04486	0.8
245.05032	6.3
257.04990	0.8
260.69962	0.6
263.06046	0.9
275.05939	1.0
275.56128	0.5
305.07175	6.4
306.07233	0.8
347.08426	2.3
365.10526	92.1
366.10925	2.6
404.73495	0.5
407.10281	3.7
456.17514	0.5
527.15808	100.0
528.16125	3.9
534.46851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93301	0.7
66.32534	0.8
66.34849	0.7
75.51086	0.7
79.05495	1.1
83.04929	0.9
85.02921	1.7
135.03049	0.9
145.06532	1.1
159.43759	0.9
181.04555	0.8
185.04285	0.9
223.05930	0.9
241.33037	0.9
245.06332	3.2
261.18362	1.7
279.12292	2.0
279.19263	7.4
289.05338	3.8
329.31146	0.8
329.37393	0.7
365.10641	2.4
441.24542	6.5
464.25031	1.1
465.24820	6.5
483.25653	25.6
484.25525	1.4
508.77930	0.8
509.23630	20.1
510.23984	1.0
527.16650	3.6
527.24591	100.0
528.25177	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	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22823	0.8
69.23223	1.8
74.72937	0.4
81.07072	0.7
85.02891	0.6
87.90446	0.6
90.92550	0.5
105.17567	0.4
108.58869	0.6
110.06013	0.4
119.32121	0.4
134.11797	0.4
172.59586	0.4
181.15660	0.4
185.04257	1.1
191.77856	0.4
203.05310	1.8
218.21490	0.5
227.05362	1.1
245.06303	6.6
245.08691	0.5
259.13391	0.5
261.18216	2.4
271.04291	0.6
279.19330	4.0
279.59073	0.5
289.05255	8.4
364.62421	0.6
394.94498	0.5
423.23615	2.6
441.24631	5.6
465.24612	6.7
483.25647	18.8
484.26172	0.6
509.23566	26.6
510.23398	0.9
527.24628	100.0
528.24951	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	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00344	0.4
63.40309	0.4
81.07068	0.9
93.07047	1.0
98.23460	0.9
101.36880	0.6
105.00329	0.4
107.08630	0.6
120.28314	0.4
128.32797	0.5
133.53128	0.5
185.04234	0.7
191.83096	0.5
194.46332	0.4
201.03726	0.7
203.05290	1.8
227.05243	1.0
243.04762	4.9
245.06334	6.0
261.18338	2.0
263.19931	3.5
271.04181	0.9
279.16803	0.4
279.19302	11.2
287.03723	36.6
288.04077	0.7
289.05286	54.9
290.05643	1.5
338.75955	0.5
441.24500	2.2
445.97946	0.5
483.25629	15.0
484.25922	1.1
509.24121	0.9
524.34857	0.5
527.24622	100.0
528.24847	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98916	0.3
69.25352	2.2
71.28918	0.4
81.07053	0.4
98.60844	0.4
126.99966	0.4
185.04286	0.4
203.05211	2.1
227.05281	0.9
229.03360	0.4
245.06285	6.9
249.65250	0.4
261.18234	4.7
271.04178	0.6
279.19269	6.6
289.05280	7.6
316.31378	0.4
354.18881	0.4
365.10480	0.5
415.57837	0.4
423.23444	1.5
441.24564	6.4
449.07434	0.4
465.24509	3.9
483.25623	24.2
484.25986	1.1
509.23547	16.6
510.23981	0.8
527.24628	100.0
528.24835	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98180	1.0
70.01671	2.3
83.04976	2.2
100.89291	1.2
105.07037	1.2
122.64394	1.2
181.88309	0.9
189.09196	1.4
211.98894	1.3
227.10555	1.2
269.54678	0.9
279.19220	5.5
286.91727	1.2
365.10596	2.7
441.24445	5.6
465.24503	4.2
483.25650	24.7
484.26236	1.3
509.23605	15.3
527.16760	3.7
527.24628	100.0
528.25189	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01866	2.8
55.05508	15.5
57.03430	3.3
57.07082	3.4
65.03932	4.0
67.05499	38.1
69.07067	14.4
69.08110	13.5
70.51588	1.5
73.06552	1.8
74.64359	1.6
79.05490	32.9
81.03413	3.6
81.07053	36.1
83.04949	3.3
83.08612	9.7
85.06586	2.0
89.06032	14.0
90.00082	1.7
90.06400	1.7
91.05475	28.7
93.07037	28.5
95.04967	7.4
95.08604	23.2
97.06527	3.0
97.10153	3.2
105.04519	2.5
105.07025	29.3
107.08593	14.5
109.10135	5.8
111.08047	1.7
117.07014	19.5
119.08581	17.7
121.10151	11.2
123.11671	1.8
128.06223	5.1
129.06996	17.0
131.08551	27.2
133.08591	7.5
133.10107	16.0
135.11673	5.5
141.06993	5.1
142.07770	4.0
143.08571	20.0
145.10106	19.4
147.11668	8.2
149.13243	3.6
153.07133	1.9
155.08556	14.4
157.10144	18.8
159.11674	13.8
161.13252	2.1
167.08543	4.7
169.10117	15.4
171.11679	14.1
173.13300	7.6
175.11128	3.3
175.14813	2.8
181.10147	7.0
183.11681	14.7
185.13208	13.2
187.14783	3.7
195.11722	7.5
197.13289	13.3
199.14835	4.1
201.16501	1.7
207.11629	2.0
209.13261	3.7
211.14828	4.7
213.16341	3.6
216.39072	1.9
221.13184	3.0
223.14742	4.6
235.14803	2.7
239.17995	2.2
251.17857	2.6
259.20651	2.8
283.20538	2.1
311.23459	2.2
315.23163	2.6
323.23535	2.3
325.21799	1.9
327.20010	3.7
327.41949	2.2
328.20456	2.6
417.31543	4.9
435.32660	13.5
453.33752	11.1
471.34882	2.2
473.34552	2.7
509.36227	5.5
527.37250	100.0
528.37671	5.7
541.25824	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01875	1.6
55.05507	9.8
57.03436	2.7
57.07065	2.0
61.58474	1.3
62.06369	1.0
67.05501	24.5
67.60844	1.2
69.07056	10.4
71.08611	1.2
71.44126	1.2
79.05488	17.3
79.24602	1.1
81.03431	1.4
81.07050	25.0
83.04969	2.6
83.08633	7.2
85.06508	2.1
89.06018	6.9
91.05476	18.5
93.07041	18.9
95.04959	3.6
95.08600	12.9
97.01393	1.3
97.06537	2.3
97.10171	3.1
105.07021	19.5
107.04987	1.5
107.08604	9.3
109.10165	5.0
110.10972	1.3
111.08100	1.5
117.07011	9.8
119.08565	12.7
121.10098	6.4
128.06169	2.4
129.07004	12.8
131.08563	16.5
133.08614	3.5
133.10133	11.1
135.11678	5.8
141.07019	4.8
142.07774	2.2
143.08563	14.2
145.10123	16.9
147.11658	5.9
149.13252	2.6
151.11298	1.3
155.08524	7.8
157.10106	16.1
159.11670	11.5
161.13258	2.0
167.08553	2.6
169.10098	10.6
171.11664	9.7
173.13271	7.6
177.11235	1.8
181.10168	5.5
183.11705	8.8
185.13234	7.6
187.14838	3.5
193.10109	1.9
195.11703	6.0
197.13261	6.4
199.14793	3.8
209.13303	4.7
211.14827	4.0
213.16437	2.1
221.13411	1.3
223.14879	3.0
225.16278	1.8
235.14815	2.0
241.19536	1.7
257.19110	1.3
259.20605	2.6
283.20676	2.1
309.22049	1.9
311.23401	1.3
315.23166	2.3
323.23849	1.5
341.24747	1.5
365.10410	2.5
375.26495	1.5
411.67856	1.5
417.31384	4.7
435.32535	14.6
453.33740	7.8
471.34903	3.8
491.35306	2.0
509.36252	6.9
527.15686	2.9
527.37274	100.0
528.37738	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	528.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.2
71.42290	0.2
89.63181	0.2
94.06328	0.3
100.11251	2.8
166.08388	100.0
167.08751	1.2
202.09230	0.3
226.09247	0.5
244.10016	0.2
248.51833	0.2
250.01520	0.2
264.57843	0.3
365.10425	1.0
366.10883	2.0
422.98669	0.2
438.36621	0.2
528.16119	4.3
529.15210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74227	0.4
51.57419	0.4
70.71416	0.7
77.03944	0.3
79.05492	0.4
86.38809	0.4
91.05461	1.2
93.07042	1.6
93.81463	0.4
95.04958	0.5
103.05460	6.2
107.04932	1.4
120.08096	100.0
121.08410	1.3
131.04927	2.8
144.01997	0.3
149.05983	1.9
166.08620	54.3
167.08963	1.0
390.49686	0.3
429.57074	0.4
498.74609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71035	3.1
53.03933	3.8
55.05500	9.1
68.80602	3.1
69.03412	9.1
69.35421	17.2
81.03419	5.1
83.04974	100.0
85.02901	18.6
87.00828	9.0
97.02856	7.0
99.04451	5.9
105.01860	9.2
105.07068	4.1
105.19247	3.5
106.75299	3.0
109.02864	10.1
109.06535	6.1
120.08067	3.3
127.03918	14.0
133.06444	4.5
135.08064	3.1
145.04985	6.9
151.07547	7.1
162.81522	2.9
163.07544	16.2
175.07373	3.9
187.05946	3.3
189.05452	10.6
205.08598	9.4
245.11711	38.7
399.95923	3.8
449.17935	5.4
493.17023	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	528.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84296	6.1
54.10204	6.3
55.01857	8.4
69.03449	11.0
70.92915	8.5
71.04986	68.3
81.03396	13.5
83.04984	11.9
84.04508	15.0
85.02884	22.7
87.00819	15.8
91.05448	13.9
95.04969	9.5
97.02875	21.4
99.04441	100.0
105.07003	11.8
109.02857	19.9
119.08567	25.2
121.06467	7.8
122.02698	17.3
127.03899	26.2
147.08040	33.7
149.09644	20.2
150.09927	14.9
177.09091	8.6
199.11160	36.5
213.12671	8.8
214.13077	7.8
227.10480	18.1
231.04865	7.3
241.12222	22.4
242.12563	35.4
245.11722	23.5
251.06856	17.3
252.07246	9.3
259.13281	11.8
260.13657	12.8
314.93652	6.5
363.79150	7.5
493.16809	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	528.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39380	2.7
61.02922	11.6
64.87352	2.5
67.05502	8.3
69.03429	5.7
70.68662	2.9
73.02903	5.1
76.49724	2.8
79.05485	12.1
81.03386	4.3
81.07064	19.0
83.04973	11.2
85.02903	23.8
90.08595	2.7
91.03944	11.8
91.05444	4.9
93.07018	9.3
95.04977	3.9
95.08596	36.7
97.02862	7.9
101.42611	2.5
101.85263	2.9
105.07021	45.2
107.08540	4.1
109.06530	5.7
123.08057	89.6
125.05975	10.6
127.03918	8.5
133.06479	100.0
134.06792	4.5
145.04974	11.6
151.06351	5.3
151.07532	90.2
163.05995	17.9
169.08586	37.8
192.05965	2.9
241.27640	3.0
313.12650	3.9
328.59058	3.2
390.95816	2.8
468.14401	3.1
528.15741	3.6
546.68311	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	528.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
61.02910	3.7
63.36435	1.7
67.05500	6.1
69.03419	14.2
69.38184	5.6
69.38592	4.5
70.06582	5.9
73.02902	2.3
79.05489	8.8
81.03419	7.5
81.04547	6.9
81.07058	14.7
83.04975	9.8
85.02905	71.0
86.64184	1.9
90.27602	1.9
91.03966	5.5
93.07039	7.3
95.08604	32.5
97.02895	15.6
99.04459	2.9
105.07024	19.9
109.02882	6.1
109.06519	3.6
111.04440	2.0
122.07152	39.7
123.08047	97.3
125.06002	8.4
127.03902	19.6
133.06505	14.3
139.03923	1.8
145.04945	41.2
151.07536	100.0
162.25951	2.0
163.06020	27.5
169.08592	31.4
218.30872	1.9
222.89383	1.9
236.18678	2.5
281.10690	10.4
325.11255	12.2
347.09521	4.8
348.09894	5.2
395.12277	2.2
422.21213	1.8
443.15738	2.2
485.17068	9.0
528.13397	17.2
529.15729	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	528.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
57.03431	2.7
57.07070	3.1
61.02907	2.7
67.05497	16.1
69.03423	6.9
69.07062	5.2
70.06596	6.1
71.04986	10.7
73.02911	3.5
79.05481	4.1
80.24540	1.4
81.03414	3.9
81.07050	87.1
81.71712	1.6
83.08577	2.4
85.02901	20.5
85.06534	5.9
89.06030	2.8
89.75482	1.6
91.03951	2.6
91.05465	2.7
92.04987	3.4
93.07044	11.1
95.04957	4.3
95.08607	18.6
96.08947	1.4
97.02885	7.0
97.10145	7.4
99.04449	2.3
99.08070	2.3
105.07009	2.9
107.08578	5.6
109.02887	3.7
109.06496	3.8
109.10156	9.4
111.08042	2.5
118.06536	8.1
123.11695	80.6
127.03912	7.0
127.11189	2.9
133.10110	5.3
134.02257	1.4
141.12730	3.2
145.04964	5.9
151.11166	31.0
162.09111	10.2
163.03918	3.6
163.06036	2.0
163.09848	2.0
169.12225	100.0
187.13254	24.1
202.15907	1.9
230.15384	23.1
292.19168	11.2
295.15262	2.6
313.16537	3.8
322.20285	1.8
331.17505	41.3
332.17694	2.6
366.22900	14.5
528.27997	99.4
529.28094	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	529.3499
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
53.42624	0.6
55.05504	1.7
67.05492	4.0
69.07075	0.6
69.28898	2.5
73.47762	0.6
79.05486	2.2
81.07056	3.3
87.04478	0.6
91.05458	1.1
93.07047	1.9
95.08607	2.1
96.32528	0.8
107.08595	0.8
109.10150	1.2
121.10138	1.0
159.11685	0.6
195.09880	5.8
236.58908	0.9
251.12527	3.0
335.25739	0.9
357.24442	0.7
446.01926	0.6
459.20441	0.6
529.34918	100.0
530.35052	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
53.03932	3.3
55.01868	3.3
55.05510	19.4
57.03423	4.3
57.07067	4.4
65.03928	5.0
67.05500	69.0
69.03445	1.7
69.07064	22.1
70.06565	2.0
71.04982	4.6
71.08623	2.2
77.03957	1.4
77.30701	1.1
79.05489	49.2
81.03400	4.2
81.07053	71.0
81.08749	1.1
83.04980	5.1
83.08616	12.6
85.06546	3.7
87.04469	7.1
88.07635	1.8
89.06013	1.3
91.05479	34.3
93.07041	61.8
95.04958	11.2
95.08601	35.9
97.06529	7.9
97.10169	4.3
99.08078	2.1
102.40067	1.1
103.05437	1.4
105.04516	4.5
105.07033	21.5
107.07856	1.5
107.08585	30.7
109.06519	3.2
109.10146	11.1
111.08080	5.0
117.07032	11.5
119.08594	13.7
121.06494	1.7
121.10139	26.1
123.08041	1.4
123.11685	3.5
124.93752	6.5
129.07018	3.3
131.08557	20.9
131.09462	1.7
133.10114	13.5
135.08015	1.7
135.11674	14.4
139.11115	1.4
142.07779	1.4
142.94873	1.6
143.08562	4.2
145.10144	10.1
147.11661	7.3
149.13237	26.1
153.15170	1.3
155.08504	1.5
157.10124	4.4
159.11690	17.0
161.13283	4.3
169.10060	1.6
171.11772	3.8
173.13280	5.5
175.14830	2.5
177.12762	3.2
183.11673	1.6
185.13231	2.5
187.14841	3.6
195.13770	5.8
197.13249	1.8
198.97424	39.0
199.14801	1.7
201.16399	2.0
216.98430	3.1
243.21123	1.6
256.26291	11.8
261.22195	4.8
317.24570	1.5
419.33145	2.2
425.04114	1.2
437.20392	8.4
437.34113	7.8
455.35141	2.2
473.36349	1.5
511.37982	2.2
529.25751	27.2
529.38873	100.0
530.25720	2.8
530.39294	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75351	1.3
53.03942	4.6
55.01857	2.0
55.05510	17.3
57.03429	4.4
57.07060	2.1
59.50555	1.2
65.03945	3.6
67.05502	64.6
67.88934	1.3
69.03426	1.3
69.07064	19.5
70.87395	1.5
71.04984	3.2
71.08633	1.5
77.03928	2.3
79.05490	52.5
79.05955	2.7
81.03429	4.4
81.07054	67.4
82.58851	1.2
83.04990	4.3
83.08618	12.2
85.06536	2.9
87.04470	1.5
88.93196	1.3
91.05472	30.7
93.07045	56.4
95.04958	9.8
95.08604	34.8
97.06526	8.7
97.10180	3.6
99.08096	2.8
105.04499	3.4
105.07034	18.4
107.08591	33.2
109.06534	2.5
109.10152	12.0
111.08094	4.8
113.09709	1.3
117.06995	11.8
117.12991	1.2
119.08572	14.4
121.10143	23.2
123.11766	2.9
129.07024	3.7
131.08554	18.4
133.10114	12.6
135.11668	12.7
143.08578	4.0
145.10114	12.3
147.11719	5.1
149.13266	26.3
155.08617	3.1
155.37361	1.3
157.10173	5.0
159.11708	15.1
161.13307	4.5
163.11174	1.4
163.14815	2.0
171.11696	1.7
173.13289	4.7
175.14844	2.3
177.12802	4.4
185.13264	2.6
187.14832	2.7
195.11838	2.0
195.13878	6.0
209.39461	1.3
243.08630	1.7
243.20969	1.4
256.26434	4.8
261.22238	5.6
317.24756	2.7
365.04306	1.5
437.34235	4.7
455.35486	3.4
470.24231	1.3
511.38077	2.0
529.38940	100.0
530.39594	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	530.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39179	1.0
52.02935	1.0
53.03947	1.2
55.05507	7.6
57.03432	1.3
57.07072	11.3
59.05004	1.5
61.02914	3.3
67.05500	3.9
67.31123	1.1
69.03416	4.0
69.07060	70.8
69.30283	6.2
70.06577	1.4
71.04980	1.3
71.08611	1.1
79.05485	1.1
81.03427	2.7
81.07053	10.2
83.04983	1.3
83.08611	22.1
83.55280	1.0
85.02890	20.2
91.03916	1.3
93.07027	6.2
95.08588	9.0
97.02898	5.9
97.06525	6.9
97.10149	2.3
107.08583	6.5
109.02870	2.2
109.10167	4.4
111.08057	2.3
111.11703	13.5
113.09628	1.6
125.13246	7.7
127.03911	6.2
133.06528	1.1
133.25775	1.0
135.11679	12.5
143.14299	4.2
145.04953	7.2
153.12727	52.2
156.71913	1.0
163.05997	2.3
171.13785	100.0
172.14185	1.8
177.05426	1.5
189.14828	27.7
191.26962	1.3
209.11778	1.9
283.15417	1.7
297.71109	1.1
480.30884	1.4
496.04764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84050	1.0
53.03943	5.9
55.01858	1.5
55.05515	9.9
56.57183	1.2
57.03431	2.3
61.02925	3.6
65.03934	1.9
67.05497	4.9
69.03435	7.1
69.07048	3.7
69.53793	1.2
77.03915	1.3
78.23685	1.0
79.05492	29.7
81.03417	3.0
81.07053	100.0
82.07390	1.2
83.08633	2.2
85.02899	19.8
91.05471	18.2
93.07039	36.8
94.05275	1.0
95.04993	5.8
95.08588	10.0
97.02872	8.0
105.07018	21.0
107.08592	10.6
109.02885	1.3
109.06501	3.4
109.10125	5.8
111.08069	2.2
115.05460	1.9
116.06225	1.8
117.07005	4.2
119.04949	1.7
119.08568	16.8
121.06501	3.0
121.10130	5.3
127.03919	1.7
128.06230	3.1
129.06989	7.2
130.07719	1.4
131.08566	53.5
133.10121	8.9
135.11679	2.8
135.92728	1.1
137.05968	7.9
137.09639	1.2
139.07520	2.3
141.06999	4.2
142.07797	3.9
143.08566	17.5
144.09317	2.7
145.04955	3.2
145.06500	1.6
145.10124	20.3
147.08092	2.3
147.11678	39.3
149.05977	1.6
149.09491	1.3
149.13246	17.2
153.06958	1.5
155.07031	3.6
155.08546	6.7
156.09337	4.1
157.10114	16.1
158.10921	2.4
159.11696	28.5
161.09647	4.2
161.13283	7.0
163.07555	2.8
163.11148	4.4
167.08589	1.9
168.09323	2.5
169.10149	9.2
170.10931	3.3
171.11679	16.3
172.12456	1.7
173.09639	2.0
173.13252	31.5
175.07555	18.3
175.11122	8.5
176.11957	12.3
177.09132	4.5
177.12759	1.8
181.10136	3.0
182.10995	2.6
183.11705	13.6
184.12413	1.4
185.13245	31.4
186.10481	2.6
187.07503	1.9
187.11176	2.8
187.14793	5.4
189.09129	2.6
189.12749	2.5
191.10628	3.0
193.10258	1.2
195.11630	2.5
195.13734	2.6
197.13237	9.0
199.11234	2.9
199.14799	5.8
201.09108	1.4
201.12776	3.4
201.16333	1.7
202.09705	1.3
203.10661	12.0
203.14276	7.7
205.12175	7.9
209.13268	4.0
211.11314	1.5
211.14827	8.7
213.16319	2.2
215.10719	1.9
215.14365	2.1
215.17989	2.1
217.12227	37.2
218.12653	1.5
225.16373	1.6
227.17896	11.3
229.12196	3.4
229.19548	4.5
231.13940	1.5
235.13213	17.1
239.17915	27.6
241.19547	11.5
243.13913	1.8
247.13203	2.0
251.17908	3.0
253.19475	12.4
257.18994	46.2
259.20572	2.5
267.17426	7.4
269.19025	10.8
271.20551	2.2
273.18451	1.7
279.17371	1.6
285.18460	47.7
286.18790	1.5
287.20038	15.4
297.18491	7.1
303.19489	12.3
315.19513	10.3
321.20520	2.6
332.11282	1.8
333.20435	2.0
361.66711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.03418	0.3
57.05799	0.3
58.06592	5.1
63.34584	0.2
67.05501	1.6
68.05028	0.4
69.07037	0.5
70.06595	0.2
70.93846	0.3
71.04992	0.3
79.05485	1.1
81.07043	1.3
82.06569	4.1
83.07352	13.7
86.09718	0.3
88.07626	1.9
91.05465	0.5
93.07030	0.7
95.08596	0.7
96.08131	0.2
98.09682	97.6
99.10020	0.8
104.10740	0.6
107.08577	0.3
116.10718	100.0
117.11066	0.7
121.10139	0.2
196.07321	51.6
197.07646	0.6
270.10986	0.8
303.96182	0.2
332.94138	0.3
335.25772	0.4
512.31427	4.4
530.32367	15.5
531.32257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42538	0.1
55.05505	0.4
57.03434	0.2
57.98492	0.1
58.06309	0.1
58.06586	2.3
58.06859	0.2
60.00623	0.1
60.08155	0.1
61.99374	0.2
67.05496	0.7
79.05495	0.5
81.07047	0.7
82.06577	1.7
83.07356	7.1
86.09705	0.3
91.05484	0.3
93.07039	0.5
95.08609	0.3
97.80267	0.1
98.09686	81.6
99.09998	0.7
104.10738	0.8
105.07090	0.2
107.08612	0.2
109.17736	0.1
116.09954	0.3
116.10719	3.4
138.87283	0.1
164.23518	0.1
196.07326	100.0
197.07608	1.0
207.98143	0.2
259.96170	0.1
320.28696	0.2
335.25742	0.3
337.48743	0.2
342.01050	0.1
482.29230	0.2
512.31451	0.8
530.32324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01873	7.8
55.05257	2.8
55.05507	34.0
55.68312	1.5
56.19936	1.7
57.03431	16.5
57.07075	2.5
59.04987	1.7
65.03932	3.4
67.05500	100.0
69.03433	2.4
69.07058	23.4
69.21333	10.0
69.82441	1.7
71.04993	6.8
73.02913	6.0
74.27560	1.8
79.05490	40.6
81.03419	12.2
81.07050	76.4
83.04978	10.2
83.08617	23.1
85.02908	13.3
85.06535	4.6
87.04466	7.7
91.04947	2.2
91.05476	28.0
93.06449	2.4
93.07039	41.7
95.04965	9.4
95.08602	21.7
97.06535	9.2
97.10167	15.9
98.22706	3.7
103.03925	3.0
105.04539	3.7
105.07043	11.1
107.04977	2.7
107.08588	29.1
109.06512	4.5
109.10151	43.8
111.08082	6.9
115.05441	2.0
116.04716	1.5
116.10685	2.1
117.06981	9.0
119.08583	9.2
120.08917	1.9
121.06437	4.4
121.10123	9.2
123.08051	3.3
123.11702	3.6
125.09629	20.8
129.05476	5.7
129.07001	3.0
131.08574	9.9
133.10112	12.5
135.08041	2.7
135.11696	12.7
137.09654	3.0
143.07014	2.3
143.10664	3.2
145.10121	6.1
147.11691	3.9
149.13278	11.0
153.12788	2.2
155.10643	3.5
159.11687	8.6
163.11125	8.5
173.09604	1.7
173.11769	14.0
177.12799	4.9
181.12288	2.8
191.10689	3.5
195.00319	22.0
195.13794	18.7
199.13303	9.2
209.11685	7.6
213.14983	2.3
227.12708	8.0
229.14325	39.1
239.16539	2.1
267.15866	2.0
269.17444	45.1
301.16382	10.4
337.27313	3.7
393.26205	2.0
411.27414	3.9
423.27365	13.6
444.07175	1.7
495.29489	13.7
513.30573	10.1
530.38928	3.4
531.26672	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	530.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01875	2.6
55.05515	16.7
57.03440	10.8
57.07071	3.3
59.04982	1.8
65.03933	3.0
67.05503	77.4
68.05818	1.2
69.06767	1.5
69.07076	16.6
69.32866	3.1
69.33265	4.0
71.04989	21.1
72.51662	1.2
76.14931	1.2
79.05494	32.6
81.03410	3.3
81.07057	100.0
82.07397	1.6
83.04982	6.6
83.08627	13.0
85.02885	2.0
85.06539	10.1
87.04448	2.2
91.05481	24.6
93.07047	43.0
95.04961	6.5
95.08600	21.2
97.06548	11.4
97.10147	5.1
98.09664	1.9
98.22695	2.5
99.08086	2.9
105.04564	1.5
105.07028	11.9
107.08590	25.1
109.06514	2.6
109.10150	12.9
111.08074	4.7
117.07004	7.4
117.63749	1.2
119.08556	2.6
121.06557	1.5
121.10158	10.1
123.11712	11.3
125.09610	3.8
129.05441	2.1
131.08572	6.9
133.10115	14.5
134.46666	1.2
135.08043	1.5
135.11702	7.4
139.11176	1.9
145.10104	1.4
147.11620	2.1
149.13248	20.4
151.11185	4.5
152.74763	1.2
159.11726	7.6
173.11707	2.8
175.80405	1.3
176.99243	3.5
177.12692	3.6
183.13835	1.7
187.13269	5.3
195.00278	11.0
195.13814	11.0
199.13144	1.5
199.30290	1.2
209.11720	1.6
225.14870	1.4
229.14304	6.0
263.49915	1.3
269.17453	37.4
301.16791	2.1
301.20035	17.3
336.26178	1.9
423.27533	2.1
437.28992	65.3
438.29337	2.0
451.30511	10.2
463.30496	43.4
464.30844	1.5
495.33224	25.3
530.25604	13.3
531.25769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.3
58.49957	1.5
69.03425	1.7
69.26153	5.3
69.26559	3.1
78.73969	1.3
80.34512	1.6
85.02892	1.8
87.21632	1.6
87.83318	1.4
93.07030	1.4
97.02872	1.4
98.97620	2.4
101.23870	1.4
116.98630	1.6
119.08568	1.8
141.09016	1.3
149.09641	3.8
187.75748	1.2
227.12947	1.6
244.98621	1.5
261.71042	1.8
281.88214	1.4
301.07394	2.5
303.00980	4.0
305.02646	42.5
314.65457	1.4
322.07611	1.6
445.11761	3.9
463.12708	5.2
487.13559	20.9
487.24734	2.7
520.36102	1.9
531.12567	100.0
531.24316	9.7
532.12903	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	531.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	9.2
71.42297	11.0
84.96051	9.5
85.02918	12.2
90.48403	8.4
93.07028	8.4
95.04980	27.1
98.97589	10.9
100.11285	16.6
113.06010	9.7
114.14445	8.0
116.98618	20.7
127.03931	9.3
128.98573	8.7
144.63329	8.7
148.92021	9.7
156.46248	8.7
182.15359	10.4
185.09674	12.3
237.02843	19.7
249.14784	9.2
283.13208	13.9
283.81644	9.2
429.32922	10.2
487.13837	37.8
513.11963	19.3
530.90613	11.4
531.12335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1475
Annotation	Juspurpurin
Peak:m/z	Relative Intensity
57.68301	1.4
64.04321	1.3
66.21490	1.6
69.45716	5.5
70.06587	1.6
83.04981	2.0
83.65531	1.7
85.02911	3.8
97.02946	1.5
107.63583	1.4
182.14667	1.5
185.04218	2.6
204.12183	1.7
221.12889	5.4
222.13223	3.6
222.20749	1.4
227.05255	6.2
265.08340	4.5
271.04239	13.9
283.09451	7.7
427.13647	20.8
445.14691	4.3
469.14667	53.1
470.15121	5.0
487.15677	26.9
513.13641	100.0
514.13892	5.6
531.14648	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	531.1471
Annotation	3,5-Dicaffeoylquinic methyl ester
Peak:m/z	Relative Intensity
56.47226	0.7
61.00643	0.8
61.32932	0.6
69.03404	0.9
70.36850	1.6
83.04965	1.6
85.06536	1.1
139.67734	0.6
227.05202	1.3
265.08408	2.8
266.55444	0.8
271.04349	1.4
283.06268	1.5
283.09366	19.6
283.12387	1.4
344.28085	1.0
405.11533	1.0
417.15036	0.9
427.13562	1.4
431.17035	0.8
445.14743	13.3
449.10550	8.2
459.16205	6.6
469.14578	5.0
487.15710	54.9
488.16162	2.8
495.05637	0.8
503.15036	2.0
513.13715	13.0
531.14703	100.0
532.15082	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	531.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92647	0.5
69.03426	0.7
84.30519	0.5
85.02905	0.5
90.62411	0.5
205.05824	1.5
227.05309	2.1
271.04193	3.7
283.09387	41.3
284.09866	1.2
404.10855	1.3
431.16827	0.9
445.14719	4.6
448.09839	0.6
449.10516	0.6
459.16119	3.8
468.88834	0.5
469.14691	0.8
487.15707	35.5
488.16122	1.9
503.15265	1.5
513.16663	4.4
531.14673	100.0
532.15021	4.8
553.74982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
55.37286	0.8
57.07066	0.7
59.20118	0.6
67.05495	0.9
67.45470	0.7
69.03448	1.1
77.50038	0.7
79.05501	3.4
81.07048	10.8
82.06594	1.0
82.07404	2.3
84.04468	0.7
85.02891	4.2
85.06546	1.6
91.05492	3.2
93.07031	4.3
95.05022	0.8
95.08620	1.9
97.02872	1.0
105.07030	2.9
107.08599	1.5
110.06085	0.9
119.08578	2.9
126.05505	1.7
127.03885	1.0
129.06981	0.9
131.08536	5.9
132.08896	1.1
133.10126	1.8
135.08076	0.9
137.05983	1.0
141.07011	0.8
143.08568	2.5
144.09003	0.7
145.10153	2.9
146.10515	1.4
147.11690	3.2
148.12054	1.6
149.13309	1.5
157.10101	1.6
158.10669	0.8
159.11703	3.2
160.12030	1.4
169.10170	0.9
171.11720	1.9
173.09679	0.9
173.13269	3.9
175.07539	2.0
175.11209	1.0
176.12004	1.7
177.05536	0.9
183.11681	0.9
185.13278	1.7
186.13669	0.9
187.11026	0.7
197.13289	1.5
199.14784	1.0
205.79683	0.8
217.12277	2.6
218.12621	0.9
227.05345	1.1
229.12212	1.0
229.19537	1.0
239.17856	1.3
240.18423	2.3
241.19487	1.2
242.06319	7.0
253.19470	1.5
257.18927	3.7
258.19305	1.8
265.08420	1.1
269.08505	1.2
269.19040	0.9
271.04321	2.3
273.02756	1.7
282.08679	1.5
283.09393	42.5
284.09729	2.1
285.18393	4.1
286.18832	2.1
311.08841	1.5
315.19614	1.0
316.19650	1.0
360.02808	0.9
360.07199	18.7
361.07611	0.9
390.46002	0.8
445.14749	16.2
469.14670	2.9
487.15729	69.5
488.16229	2.9
513.13611	4.7
531.14716	100.0
532.14966	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	531.1683
Annotation	Pikuroside
Peak:m/z	Relative Intensity
51.28775	0.5
55.48335	0.3
61.02932	0.4
63.85925	0.4
69.03442	0.6
69.35029	1.1
69.35434	0.8
71.27953	0.3
73.02909	0.4
85.02915	1.7
95.04986	0.4
97.02917	0.6
97.16926	0.3
98.22707	0.7
110.95454	0.3
112.49760	0.4
115.99251	0.4
121.06503	0.7
142.01645	0.4
149.05963	1.8
167.06929	0.4
168.94870	0.4
173.02922	0.4
185.04222	1.4
189.05264	0.6
201.03720	0.5
203.05223	3.1
207.06343	1.0
241.03607	0.5
299.11160	0.4
305.08313	0.7
347.09454	3.6
351.10071	0.3
365.10547	19.9
369.11588	5.6
445.12997	0.4
461.16162	1.0
531.16821	100.0
532.17188	4.0
553.77051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1687
Annotation	Pikuroside
Peak:m/z	Relative Intensity
59.33973	0.6
61.02898	0.5
66.94125	0.6
69.03419	0.9
70.06590	4.0
70.56000	0.6
70.56338	1.0
72.08141	0.9
81.03432	0.8
84.04503	0.9
84.08135	0.9
85.02915	1.8
86.09695	1.5
89.03928	0.8
91.05499	1.2
93.07011	0.8
97.02909	1.2
110.07174	1.2
112.07590	2.0
117.03365	1.5
121.06538	1.2
129.10234	0.7
140.07106	0.8
142.05341	0.6
145.02858	2.1
147.04387	0.9
149.06007	0.8
160.53609	0.6
163.03893	2.4
166.71085	0.5
171.04196	1.3
177.05458	2.7
181.04994	1.8
185.04250	1.2
189.05223	5.1
203.05249	18.2
205.06613	0.5
217.04976	2.3
217.17703	0.7
237.02702	0.6
237.19601	0.5
245.04967	0.9
293.06375	0.7
323.11118	1.3
351.10693	4.0
353.08838	0.7
357.08185	0.6
369.11432	0.9
471.11676	1.0
531.16742	100.0
532.17383	3.7
559.57813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01870	3.5
61.02935	2.2
62.99539	1.1
68.99800	2.2
69.03422	8.6
71.04992	2.1
73.02916	3.8
79.05495	2.5
79.76681	1.1
80.75974	1.0
81.03415	9.8
85.02905	21.5
87.00829	8.8
91.05486	2.2
95.05017	1.2
97.02885	6.2
98.23518	3.0
99.04445	5.4
99.22658	1.2
100.11317	1.1
104.49973	1.2
105.01852	4.5
105.07025	5.7
107.04971	4.5
109.02853	7.1
119.08564	1.6
121.06503	11.2
127.03902	17.2
129.01936	1.2
129.06952	1.9
133.06516	9.1
135.04410	100.0
136.04706	1.5
145.04950	6.4
145.06488	1.1
145.10143	1.5
147.08038	13.7
159.02924	5.6
160.05194	1.3
175.07549	40.6
176.07756	1.2
217.08578	1.5
231.04979	2.9
237.12643	2.0
247.11185	1.4
265.12283	6.7
283.13266	60.7
405.22321	1.5
457.08499	1.3
513.16791	1.4
526.15338	1.4
529.61755	1.3
531.17407	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	531.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20446	1.7
55.28647	1.5
58.06582	1.8
58.76613	1.6
67.05502	4.7
69.03420	23.9
69.07046	2.2
69.17133	9.4
70.44203	1.7
79.05502	3.5
81.07053	7.9
83.04975	2.5
83.07366	4.2
84.91195	3.9
91.05493	7.8
93.07060	2.9
95.04977	10.1
97.02888	21.8
98.09682	31.0
105.07027	29.0
109.02888	2.4
109.06530	2.7
110.06106	1.7
115.05483	3.8
116.06257	1.9
116.10728	29.5
117.07046	2.7
119.04916	4.1
119.08598	2.2
121.06450	8.5
122.07283	3.0
128.06248	7.1
129.05489	2.6
129.07030	7.0
131.04927	2.8
131.08607	4.3
133.06477	6.2
133.10170	2.0
135.04411	2.3
135.08044	9.7
141.06958	2.9
142.07761	3.4
143.08557	4.2
144.05742	2.8
145.06476	12.9
146.07260	10.3
147.04410	8.3
147.08041	3.1
149.05977	9.7
149.09644	2.7
153.07106	2.0
155.06078	2.1
155.08594	3.9
157.06465	2.4
158.07262	3.6
159.08009	11.2
161.06013	5.6
161.09608	100.0
165.05728	2.3
165.07018	7.4
166.07748	3.9
171.07979	4.4
172.08827	3.8
173.05920	3.4
173.09589	4.0
175.07564	2.2
179.08636	2.3
181.10172	5.8
182.07294	3.5
183.08061	6.7
184.08817	5.0
185.05942	2.9
185.09602	7.4
187.07587	2.3
189.09143	2.1
193.10181	2.9
195.00351	13.4
195.08151	2.0
196.07300	20.9
196.08728	2.9
197.05972	2.6
197.09599	8.5
198.10385	5.1
199.07513	11.3
199.11201	2.5
201.09126	4.7
208.08832	3.8
209.09575	13.9
210.10434	4.1
211.07503	10.7
211.11295	3.1
212.08369	5.3
213.09076	7.6
213.12755	7.7
215.10661	6.9
217.12349	1.7
223.11128	12.0
225.09116	12.0
226.09848	12.9
227.07048	5.8
227.10648	6.4
228.11395	2.5
229.08601	3.7
229.12289	6.1
231.13840	2.2
237.09135	6.2
238.09790	3.2
239.07048	2.1
239.10724	6.0
240.07738	2.4
241.08633	3.8
241.09724	2.5
241.12209	31.7
242.09334	5.1
243.10229	8.5
245.11742	3.3
246.12526	2.6
249.09032	3.3
251.10669	2.3
253.08624	6.1
254.09341	3.3
255.10100	13.5
256.10971	7.9
257.11581	2.9
259.13266	5.1
262.10040	2.3
264.11240	2.0
267.10086	4.8
269.11752	25.9
270.12329	2.1
271.09604	9.4
273.11105	2.7
274.11981	4.4
287.12875	4.4
299.09290	3.9
307.13443	3.5
337.27271	2.8
337.49194	1.8
357.14938	2.3
359.12830	4.4
367.13574	2.2
371.14969	2.7
383.52966	1.8
389.17352	3.4
395.12872	3.2
417.16739	2.9
423.12070	3.8
435.15805	5.9
453.16507	2.4
463.15359	2.3
481.16611	5.8
495.17828	9.6
499.17288	8.4
513.19257	18.7
531.20117	6.0
532.33893	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	531.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05507	3.4
57.03426	1.3
57.07074	0.9
58.06596	4.3
59.04988	0.5
59.06932	0.5
65.03938	0.6
65.51637	0.5
67.05502	4.2
69.03426	6.5
69.07057	2.5
73.02877	0.6
79.05486	2.0
81.07043	3.8
82.04185	0.9
82.06593	3.2
83.04971	0.7
83.07353	10.8
83.08598	1.3
84.07673	1.9
88.05243	1.7
88.07609	1.9
91.05461	2.4
93.07034	1.0
95.04966	1.5
95.08598	3.0
96.05693	0.6
97.02882	6.6
98.09686	57.5
99.09401	1.1
99.10011	9.1
102.96494	0.5
105.07036	2.6
107.08569	0.7
109.02870	2.5
109.10139	1.0
113.06018	0.8
115.05444	2.1
116.10722	100.0
117.07012	1.9
117.10255	1.1
117.11057	18.5
119.08564	1.2
121.06498	1.6
121.10133	0.6
128.06212	2.7
129.06982	2.1
132.05688	1.2
133.06454	1.3
133.83723	0.5
135.04410	1.3
141.06992	1.9
142.07765	2.2
143.08546	1.3
145.06465	7.0
147.04398	1.7
147.07993	1.1
153.06987	1.0
154.07797	1.4
155.08524	1.7
157.10107	0.7
158.07269	1.7
159.04393	1.6
159.08035	2.7
160.05225	1.8
161.05966	5.8
165.06999	1.6
166.07784	1.5
167.08546	1.5
168.05736	1.1
169.06506	1.0
169.10132	1.0
170.07314	0.8
171.08051	3.5
172.08859	0.7
173.05992	2.6
173.09668	1.1
176.99220	0.9
179.08539	0.9
181.06509	1.2
181.10069	0.8
182.07288	4.3
183.08025	5.7
184.05202	0.7
184.08813	1.5
185.05986	2.3
185.09569	4.4
186.06770	5.7
187.07550	2.3
187.11304	0.7
194.07275	1.0
195.00287	28.1
195.08011	3.1
196.07306	1.7
196.08836	1.8
197.06027	0.6
197.09604	8.2
198.06776	2.9
199.07523	31.3
199.11241	2.1
200.08315	4.2
201.09090	4.5
207.08014	0.7
208.08694	0.8
209.09598	5.0
211.07507	5.7
212.08279	12.9
213.05756	0.7
213.09071	17.8
214.09837	3.8
215.10634	6.2
220.08728	0.6
223.07532	0.9
224.08336	1.6
225.09082	56.3
226.06265	1.3
226.09850	7.4
227.07037	8.3
227.10585	6.3
228.07753	2.4
229.08537	2.9
235.07536	0.6
236.08313	0.8
237.09117	3.5
238.09842	3.3
239.07022	2.3
239.10728	1.6
240.07768	1.2
241.08560	6.3
242.09352	45.2
243.10117	11.0
249.09129	1.6
253.08496	4.7
254.09262	0.7
255.10124	15.6
256.10938	8.8
257.11703	2.0
258.69266	0.7
262.09784	0.8
269.11801	1.9
274.12009	4.9
275.12820	1.8
281.07874	0.7
282.10318	0.6
286.09766	0.6
287.12711	1.0
295.11212	0.7
296.12030	2.8
299.10809	1.3
300.11526	0.6
309.09259	0.6
312.11514	1.9
313.12201	2.7
315.10187	1.7
323.10522	1.4
324.11508	0.8
325.12274	1.4
327.10211	0.9
327.13748	1.5
328.10995	0.8
328.14539	2.2
329.11874	1.3
336.11282	0.8
337.12430	1.2
337.27255	5.5
339.13113	3.2
341.11792	4.5
342.12469	1.9
349.12286	2.2
350.12872	1.0
352.10867	1.1
353.11682	1.8
355.13239	15.7
356.14032	4.1
357.14783	2.1
363.13876	1.3
365.11664	1.6
366.12540	1.0
367.13361	2.0
369.14874	0.7
371.15182	0.9
377.11847	1.0
381.14838	1.3
383.12680	4.3
384.13535	10.9
385.14246	2.0
391.13495	1.1
392.14172	1.0
394.12134	0.7
395.12738	1.7
397.14615	0.7
401.13651	0.9
402.14661	1.4
403.15009	0.6
407.16434	1.0
409.14389	1.0
415.15540	1.1
417.14685	1.2
423.16031	1.4
424.16647	1.3
435.15973	5.5
452.16107	7.0
453.16934	7.9
463.15396	5.7
466.17636	1.5
467.18863	0.9
471.17871	0.8
481.16415	30.7
482.16833	2.0
484.18954	0.6
485.19571	0.7
495.18008	4.1
499.17459	22.3
499.24786	1.1
500.17816	1.0
513.19012	23.2
514.19495	1.1
530.32300	2.1
531.19910	1.5
531.25250	2.5
531.33417	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	531.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05503	2.4
56.75581	1.1
57.03425	1.5
57.07053	1.5
64.17699	1.2
67.05489	6.9
69.03430	7.8
69.07063	2.6
71.04987	1.7
71.19771	1.2
79.05479	2.6
81.07057	6.9
82.06612	1.3
83.04979	2.9
83.07381	1.8
84.91193	4.0
91.05483	3.6
93.07029	2.2
95.04958	1.4
95.08614	2.8
97.02886	12.7
98.09688	23.2
99.04438	1.3
101.06027	3.2
105.07032	5.5
109.02860	6.2
109.10188	1.5
115.05466	6.0
116.10722	10.7
117.07016	4.2
118.22912	1.1
121.06509	2.8
128.06207	7.0
129.05478	22.5
129.06999	3.8
131.71170	1.3
133.06487	3.1
135.04416	5.3
141.07007	1.9
142.07869	1.9
143.08549	4.3
145.06473	6.9
147.04391	2.6
152.06229	1.3
153.06947	1.7
154.07753	1.3
154.94179	2.1
155.08534	3.1
159.04370	1.3
159.08034	3.7
161.05975	18.8
165.07047	2.2
165.27179	1.1
166.07739	2.0
170.07243	1.4
171.08049	4.7
172.95250	2.6
173.05957	2.7
173.09593	1.7
174.60814	1.4
175.07652	1.2
178.07750	1.5
179.08572	1.5
179.98254	3.6
182.07281	4.5
183.08051	4.2
185.05928	2.9
185.09590	4.4
187.07538	2.7
195.00296	29.0
195.08018	2.4
196.07347	12.0
197.06076	1.5
197.09624	7.2
198.06726	4.6
199.07556	11.9
201.09077	5.5
207.08076	1.9
209.06058	1.9
209.09547	6.5
210.06772	3.3
211.07536	13.9
212.08257	10.7
213.05478	1.6
213.09048	6.5
215.10686	3.1
223.07614	2.3
224.08328	2.0
225.09091	37.6
226.09755	1.6
227.07079	4.9
227.10664	3.0
228.97754	1.2
229.08588	3.5
232.08780	1.7
235.07555	5.0
236.08318	2.4
237.09128	4.1
238.06215	4.6
239.07100	1.4
243.10178	9.0
249.09138	2.1
249.12802	1.7
252.07825	5.4
253.08545	19.5
255.10123	10.7
259.11319	1.3
263.07181	1.4
265.12195	1.7
267.65967	1.2
271.09589	15.7
273.08890	1.4
274.10001	1.3
281.08026	19.3
281.12848	1.6
285.09039	2.1
295.11115	1.8
296.11780	2.0
299.09076	40.7
306.10257	1.6
307.11334	3.0
308.11807	2.2
309.09302	1.9
311.12686	4.3
312.11230	1.9
320.11713	1.5
322.09671	2.1
323.10599	4.8
324.11359	3.3
325.12045	2.2
327.10028	1.7
329.43591	1.3
335.10608	3.7
336.11432	7.4
337.12061	3.9
337.27252	4.9
338.09372	2.4
339.09729	2.4
339.13412	4.1
343.15781	1.3
349.08859	1.7
349.12354	8.8
350.12885	3.0
351.09937	2.6
351.13593	3.1
352.10989	7.3
353.11414	2.2
353.14194	2.3
355.13260	1.8
360.11163	2.2
361.12122	1.9
363.10010	8.4
363.13980	3.0
364.10776	4.1
365.11536	4.2
366.12360	3.2
367.13351	7.7
371.14868	29.1
373.11826	1.8
374.12903	1.9
377.11673	9.5
378.12320	3.8
379.13284	5.1
381.11011	2.5
383.12967	2.4
389.11465	1.8
390.12454	1.5
391.13159	3.0
392.13910	3.3
393.10904	2.3
394.12070	4.3
395.12704	20.2
396.13052	2.0
402.12698	1.5
403.13449	2.3
405.11069	5.9
407.12308	1.8
407.16913	1.5
409.14099	2.1
417.14514	1.7
419.12653	4.9
420.13535	1.8
421.14374	7.1
423.11990	20.1
429.63940	1.4
435.15869	37.9
436.16483	1.9
437.13611	4.3
451.15222	3.4
453.16995	5.5
463.15384	26.6
467.18713	5.7
481.16431	38.8
482.16733	2.4
488.21701	7.4
495.17993	53.8
496.17831	2.7
499.17490	29.8
500.17731	1.6
513.19049	100.0
514.19568	6.7
531.20050	27.3
531.26868	3.0
532.33923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
67.05474	1.7
69.03418	10.0
69.19663	10.1
69.83649	1.4
79.88274	1.6
82.04189	2.6
83.16501	1.6
88.05228	3.0
94.53979	1.7
95.04974	3.0
97.02886	11.4
98.09675	4.7
105.07021	3.2
108.59436	1.5
109.02885	3.7
110.43501	1.4
114.62979	1.8
115.05447	3.5
116.10699	3.1
117.07016	4.0
121.06533	3.4
128.06195	4.8
129.06998	4.2
135.04404	2.1
141.06935	2.6
143.08508	2.8
145.06477	11.9
147.07996	2.3
152.06117	1.7
154.07808	2.4
155.08546	4.3
158.07358	3.1
159.04434	2.3
159.08011	4.6
160.05234	2.8
161.05954	9.9
161.14539	1.6
165.07043	2.3
166.07846	1.8
168.62030	1.7
169.06454	2.1
169.10187	2.0
170.07329	1.9
171.08075	6.3
172.08765	2.3
173.05981	2.5
181.06479	2.5
182.07210	6.3
183.08026	11.2
184.08791	2.2
185.05994	3.4
185.09602	6.8
186.06754	11.2
187.07527	4.3
195.08080	7.5
196.08936	2.9
197.09641	9.6
198.06743	3.6
199.05646	2.8
199.07506	52.9
199.11142	3.3
199.38866	1.7
200.08293	6.7
201.09091	8.5
205.06361	1.7
209.09615	10.3
211.07489	10.0
212.08328	18.1
213.05431	2.5
213.09058	26.3
214.09799	7.1
215.10670	12.1
223.07732	2.0
224.08310	3.1
225.09073	100.0
226.09781	11.1
227.07019	15.3
227.10580	12.2
228.07756	5.4
229.08502	3.6
237.09100	6.1
238.09909	8.1
239.06946	4.2
239.10699	2.5
240.07788	5.4
241.08502	13.3
242.09338	82.2
243.10147	21.2
249.09132	2.2
253.08612	6.7
253.74081	1.7
255.10110	26.2
256.10901	25.2
257.11624	4.2
269.11719	4.9
274.11978	12.0
275.12732	5.3
288.11319	2.1
289.12183	2.1
296.11838	4.1
312.11377	2.0
313.12140	4.2
323.10632	2.9
327.13699	2.2
328.14383	3.1
339.12408	5.6
341.11673	9.6
349.12146	2.7
353.11700	5.5
355.13257	26.7
356.13947	5.7
357.14523	4.0
363.13977	2.9
367.13330	3.3
369.14810	3.0
371.14560	2.4
377.11697	2.0
383.12555	6.1
384.13647	18.7
385.14334	3.3
392.14169	4.2
397.14026	2.6
407.16275	2.4
415.15070	2.8
421.14661	2.0
423.16028	2.4
435.15750	11.3
452.16064	10.6
453.16855	13.5
463.15027	10.1
466.17679	5.3
481.16431	45.1
482.16699	2.4
484.18530	3.2
495.17953	13.0
499.17572	28.9
513.18939	50.5
514.18829	2.1
515.22900	1.9
531.20190	3.6
531.26959	3.8
559.53912	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.4
56.14087	1.1
57.07077	1.5
61.69944	1.1
67.10720	1.2
69.03423	11.7
69.75015	1.0
70.87354	1.6
78.49596	1.2
79.05474	1.8
82.04189	2.1
83.07383	1.2
88.05261	2.7
91.05462	2.8
95.04993	2.4
97.02885	8.6
98.09697	4.2
103.99714	1.2
105.00093	2.9
105.07054	4.1
109.02879	5.6
115.05442	2.9
116.10732	4.2
117.07001	2.8
119.08566	1.5
121.06497	3.3
128.06236	3.9
129.07011	4.2
132.05714	3.2
135.04390	2.4
137.49402	1.4
141.07022	1.5
142.07753	4.8
143.08557	2.0
145.06479	11.0
146.07251	1.6
147.04419	3.9
152.06279	1.4
153.06960	1.5
155.08536	2.2
157.10069	1.3
158.07246	1.9
159.04408	2.6
159.08026	3.6
160.05225	2.7
161.05925	7.4
165.06996	1.4
166.07826	2.5
167.08600	2.2
167.53242	1.3
168.05685	2.2
169.10100	2.1
170.07303	1.7
170.99046	3.5
171.08026	7.2
172.08803	1.3
173.05965	4.2
175.37512	1.3
179.08670	1.4
181.06433	2.6
182.07269	6.3
183.08026	8.9
184.08838	1.4
185.05981	3.5
185.09549	5.9
186.06775	10.8
187.07553	2.7
189.00084	4.3
195.08090	4.5
196.07277	2.9
196.08923	3.7
197.05927	1.6
197.09570	10.4
198.06789	4.0
199.07527	51.9
199.11176	2.9
200.08253	7.1
201.09142	6.6
204.34177	1.6
209.05779	1.2
209.09605	8.4
211.07495	10.3
212.08304	21.0
213.05617	2.7
213.09096	25.3
214.09865	6.7
215.10672	9.2
223.07481	2.6
224.08398	4.7
225.09074	100.0
226.06291	1.8
226.09744	11.3
227.01662	3.4
227.07031	10.9
227.10580	8.4
228.07782	2.4
229.08517	2.2
232.08960	1.5
237.08987	6.1
238.09828	6.6
239.07076	2.8
239.10631	2.8
240.07837	3.5
241.08546	10.1
242.09357	81.0
243.10092	17.1
249.09145	2.6
253.08470	6.3
255.10124	23.0
256.10886	21.5
257.11655	2.9
269.11758	5.7
274.11926	6.4
275.12802	3.0
285.09079	1.4
296.11826	2.5
299.10687	2.0
312.11368	3.3
313.12228	3.9
315.09988	2.1
321.22668	2.0
322.09888	2.6
323.10669	3.5
325.12094	1.6
327.10089	1.7
327.13828	3.0
328.14453	2.1
337.12006	2.4
339.13013	2.7
341.11609	7.7
342.12555	1.6
349.12384	2.1
351.10162	1.9
353.11676	2.6
355.13266	20.2
356.14072	4.5
357.14816	4.2
365.11697	1.9
366.12439	1.5
367.13339	2.6
369.14828	1.9
379.13361	2.1
383.12671	5.4
384.13531	16.7
385.14063	2.6
393.14664	2.2
395.12732	2.3
407.16599	1.7
415.15323	1.9
423.16238	2.3
430.67023	1.4
435.15814	10.0
452.15924	10.7
453.16797	9.6
463.15192	6.9
466.17758	2.3
471.23587	3.6
481.16418	43.2
482.16614	2.4
495.17920	7.2
499.17477	28.5
500.17819	2.0
513.11774	2.2
513.18964	25.8
531.19849	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	531.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65546	1.7
53.03943	2.8
58.54403	1.9
67.05505	2.2
69.03437	14.0
69.22038	6.1
69.22446	4.6
72.79854	1.6
83.07346	3.7
84.23840	1.5
88.05241	2.3
91.05486	2.6
91.12233	2.1
95.04961	2.3
97.02901	8.9
98.09074	2.4
98.09689	34.7
98.23440	4.2
105.07034	3.9
109.02888	5.7
113.06049	2.0
115.05462	4.0
116.10725	41.2
121.06451	2.8
128.06230	4.3
129.07039	2.2
133.06450	4.4
135.04391	2.3
141.06989	2.5
142.07796	2.7
143.08585	5.0
145.06493	10.3
147.04404	2.8
154.07718	2.2
158.07304	3.0
159.04433	2.9
159.08069	4.0
160.05215	3.7
161.06006	8.5
165.07007	4.3
167.08521	2.3
171.08058	7.5
172.08784	1.9
173.06004	4.0
181.06441	3.4
182.07245	7.3
183.08051	11.5
184.08727	2.1
185.05954	4.3
185.09624	7.2
186.06732	11.2
187.07491	3.0
195.00275	2.1
195.08070	6.6
196.07298	19.8
196.08818	2.8
197.09581	10.3
198.06799	3.4
199.07536	45.7
200.08228	7.7
201.09120	5.7
209.09610	8.7
211.07558	13.5
212.08296	21.7
213.05687	2.0
213.09096	29.6
214.09863	7.9
215.10648	8.5
223.07603	3.6
224.08368	3.9
225.09093	100.0
226.09778	12.3
227.07014	13.6
227.10585	11.5
228.07767	2.8
229.08543	2.9
232.08870	2.2
236.08321	1.9
237.09093	5.9
238.09735	8.3
239.06946	3.8
240.07817	2.6
241.08539	10.5
241.30109	1.9
242.09348	68.3
243.10133	17.3
249.09178	2.5
253.08525	7.2
255.10130	24.9
256.10873	17.7
257.11707	2.8
269.11755	4.6
272.16928	2.0
273.18097	1.8
274.12015	12.6
275.12762	3.0
287.12723	3.7
296.11801	4.0
298.09888	2.4
299.10638	2.8
312.11502	4.1
313.12186	4.1
315.10196	2.0
323.10513	3.2
327.13797	3.0
328.14563	3.4
337.12097	3.5
339.12759	2.8
341.11707	7.2
349.12231	3.1
351.10007	2.0
352.10727	3.4
353.11310	2.9
355.13202	24.2
356.13940	6.9
364.14615	2.2
367.13263	2.7
371.15344	2.2
377.11768	2.1
383.12744	8.1
384.13489	20.1
385.14423	2.0
392.13959	2.3
395.12677	2.1
403.15021	2.3
409.13934	2.0
423.16217	2.6
424.16852	2.3
435.15765	9.7
452.16299	10.9
453.17029	13.9
463.15482	10.9
464.50223	1.7
466.17419	2.8
481.16492	47.7
482.16660	3.0
484.18674	2.4
495.17853	9.4
499.17523	33.9
513.11804	3.4
513.19043	44.6
514.19409	3.6
531.19897	5.3
532.33759	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	531.2049
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
70.06554	0.9
76.06644	0.4
84.61366	0.5
121.02547	0.5
129.80092	0.5
135.77591	0.5
139.43364	0.5
162.50452	0.5
166.39536	0.4
174.00912	0.5
177.05426	0.5
185.04153	0.8
203.05249	21.7
207.09799	1.1
240.84938	0.5
347.09476	0.9
367.73840	0.5
369.15161	100.0
370.15561	3.0
438.24622	0.5
531.20471	50.8
532.21002	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79072	3.6
55.05517	3.3
62.93176	2.9
71.41956	3.5
75.67332	3.6
81.07066	3.1
90.63171	3.1
91.05505	5.1
95.04959	3.4
104.93392	3.0
117.07048	4.3
128.06096	3.7
131.08604	2.9
198.84247	3.2
223.09436	44.0
271.13062	10.0
331.15134	100.0
332.09064	3.4
332.15237	3.3
430.16449	8.0
531.25128	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	531.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05509	7.3
57.03437	3.5
57.07047	1.1
65.03932	0.5
67.05505	15.7
69.06724	0.6
69.07065	8.7
71.04969	0.7
71.08614	0.5
73.79788	0.4
79.05495	4.5
80.94992	0.4
81.07055	16.3
83.04964	0.7
83.08621	3.2
91.05479	3.6
93.07043	4.4
95.04947	0.9
95.08604	11.1
96.08923	0.5
97.06494	1.0
97.10172	1.9
98.22719	1.1
105.07026	2.8
107.08591	2.3
109.10144	3.8
111.08050	0.6
115.03661	1.2
117.06962	0.4
119.08569	1.8
119.82320	0.4
120.96591	0.6
121.10111	1.6
123.11718	1.7
129.07005	0.4
131.08551	0.6
133.10110	1.9
135.11659	1.2
137.13278	0.5
147.11673	1.3
149.13242	0.8
156.97397	0.7
161.13184	0.5
174.98521	0.9
176.99220	4.9
195.00291	100.0
213.00108	2.1
253.14209	0.5
269.03909	1.5
337.27350	21.0
359.25702	0.7
364.74814	0.3
366.68488	0.4
377.26727	0.6
439.21851	0.5
457.22223	1.0
459.00644	0.4
493.18091	0.4
513.25879	0.8
531.26910	14.1
531.35199	0.5
532.27057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01865	6.4
55.05515	44.8
57.03439	16.8
57.07076	9.1
67.05505	100.0
69.07069	39.2
71.05003	9.6
71.08593	3.8
75.08881	4.3
76.39006	4.4
79.05499	89.6
81.07059	96.2
83.04988	8.1
83.08614	21.5
83.57239	4.2
85.06535	8.1
87.04468	10.4
91.05482	89.4
93.07050	95.4
93.07616	8.3
95.04982	13.2
95.08600	62.3
95.09149	6.4
97.06531	15.3
97.10184	17.8
99.08050	5.4
105.00101	14.3
105.04543	7.2
105.07028	75.3
107.08603	57.7
109.06538	5.7
109.10153	31.2
115.05508	7.0
117.07019	32.7
119.08576	83.7
121.06564	5.1
121.10155	31.4
121.74193	3.9
123.08107	6.7
123.11759	4.3
123.57728	4.6
128.06287	5.7
129.06989	23.0
131.08585	51.5
133.10127	64.9
135.08026	5.4
135.11691	47.7
137.09615	7.8
141.06914	5.3
142.07758	7.9
143.08548	31.4
145.10123	64.9
147.08063	5.5
147.11679	58.5
149.13277	12.0
155.08559	14.0
157.10147	35.9
159.11679	49.5
160.24164	4.0
161.13258	32.4
163.11240	5.7
167.08488	5.8
169.10101	13.6
171.11684	36.4
173.13222	33.0
175.14830	9.6
181.10159	9.1
181.12045	4.7
183.11723	18.1
185.13254	31.8
187.14816	16.4
189.74985	4.8
195.11697	11.0
197.13297	18.4
199.14828	16.0
201.16357	5.4
209.13330	7.6
211.14735	6.6
213.16429	6.5
223.14743	9.8
231.20970	7.5
235.14708	6.8
241.19548	21.4
253.14421	7.8
255.15862	35.7
259.20593	49.9
285.22174	7.9
297.22150	8.3
329.24844	4.9
333.24167	17.7
397.13864	4.8
409.31042	6.6
411.32614	10.5
421.30768	34.0
439.31927	19.6
453.17123	4.4
457.32999	24.6
462.42896	4.7
495.34583	10.9
501.35425	6.8
503.37061	38.1
513.35730	98.1
531.25201	8.3
531.36700	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.3
55.01868	5.3
55.05508	36.7
57.03434	25.2
57.07072	10.1
67.05496	100.0
69.07063	32.7
69.08281	29.4
71.04990	6.1
71.70564	4.0
78.08564	4.4
79.05489	75.4
81.07050	86.1
83.04993	8.1
83.08620	16.1
85.06572	6.9
87.04477	10.7
91.05463	65.9
93.07040	86.6
95.04958	20.1
95.08597	52.7
97.06532	10.9
97.10172	15.2
98.23422	11.6
105.00086	14.6
105.04496	5.4
105.07025	73.5
107.05021	4.7
107.08594	55.0
109.06518	6.0
109.10140	24.9
111.08104	5.8
115.05402	7.0
117.07014	37.7
119.08559	68.4
121.06430	6.9
121.10126	30.4
123.08040	7.5
123.11706	4.6
129.06976	25.8
131.08557	45.2
132.48328	4.4
133.10123	51.6
135.11678	32.9
142.07802	4.4
143.08542	34.6
145.10114	60.2
147.11668	34.7
149.13274	13.5
151.11156	6.1
155.08542	14.8
156.09215	4.5
157.10143	31.3
157.38889	4.2
159.11703	37.7
161.09573	4.5
161.13216	27.2
169.10133	17.3
171.11615	28.5
173.13222	27.6
175.11127	4.0
175.14810	9.6
181.12254	9.0
183.11682	15.9
185.13268	19.6
187.14838	18.7
195.11691	8.6
197.13242	10.2
199.14832	15.6
201.16356	6.8
203.14119	5.0
209.13283	5.4
211.14828	8.9
213.16508	6.1
225.16336	6.1
241.19557	17.2
244.22449	3.8
253.14203	6.8
255.15863	35.9
257.26907	4.0
259.20502	34.4
267.17746	4.9
285.22336	5.0
289.21512	4.5
297.21988	4.8
313.21695	5.0
333.24191	15.8
403.29782	5.2
409.30707	4.7
411.31912	7.4
421.30969	23.9
422.32184	5.7
439.31836	25.8
457.33163	17.3
485.36429	6.4
501.35464	5.9
503.37238	24.7
513.35736	87.1
514.36188	4.4
531.36841	43.3
549.94263	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	532.231
Annotation	Staudine
Peak:m/z	Relative Intensity
67.05500	1.2
70.06593	0.9
71.43217	0.8
81.07051	1.7
85.02909	1.8
91.05468	0.9
93.07039	2.1
95.04971	6.0
95.08617	1.2
97.02927	1.5
105.07029	0.7
113.05993	1.6
119.08579	1.6
120.67106	0.8
122.05994	0.7
131.76874	0.9
143.73642	0.7
189.40204	0.7
190.72450	0.7
196.69060	1.0
231.13892	1.4
284.86758	0.8
370.13599	1.4
405.31262	0.7
448.06323	0.7
454.19006	0.9
455.96661	0.8
458.21204	0.9
472.20947	34.8
473.21188	1.0
514.22186	1.1
531.35016	4.8
532.23053	100.0
532.34552	5.8
533.23517	4.8
533.31525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69915	3.3
58.50048	2.9
65.03916	3.4
65.37377	3.0
67.05493	12.8
69.03422	7.4
69.17963	14.4
69.18368	3.9
70.06593	21.7
71.44012	3.0
72.08183	2.4
74.89423	2.9
77.12474	2.4
79.05473	4.5
81.07027	4.3
85.02884	3.4
91.05473	8.5
93.07027	23.5
95.04960	100.0
95.08580	4.3
97.02882	12.1
99.26260	2.5
104.65926	2.6
105.07025	8.0
107.08601	3.5
113.05984	23.5
119.08607	7.4
133.10101	10.1
135.04425	3.5
137.09674	3.2
138.22475	2.7
142.07755	5.7
157.10054	4.0
159.02927	2.5
185.09601	13.9
203.10715	3.5
203.14363	5.4
231.13837	24.6
249.14890	7.1
533.14026	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	532.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05896	0.1
55.05509	0.4
56.66465	0.1
57.03429	0.2
57.49409	0.1
58.06581	2.6
58.06863	0.2
67.05506	0.6
68.05042	0.1
69.07071	0.3
77.78677	0.1
79.05487	0.3
81.07043	0.5
82.06572	1.5
83.07350	7.1
86.09707	0.4
88.07647	0.1
89.49332	0.1
91.05482	0.2
93.06993	0.2
95.08589	0.4
96.08116	0.2
98.09679	83.4
99.09994	0.7
104.10733	0.6
105.07028	0.1
116.10712	3.4
131.98271	0.1
196.07312	100.0
197.07706	0.7
240.09846	0.1
249.51952	0.1
265.97415	0.1
270.10910	0.2
337.27377	0.2
439.23026	0.1
463.66058	0.1
514.32922	0.9
532.33990	2.2
533.33502	0.1
552.82135	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	532.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38057	0.5
58.06595	5.7
67.05496	1.9
69.23784	2.5
69.24181	1.2
79.05482	0.8
81.07053	1.6
82.06573	2.9
83.06900	0.9
83.07364	12.7
88.07619	1.7
95.08628	1.3
96.03648	0.5
98.09692	90.7
99.09383	0.5
99.09998	0.9
109.10209	0.6
113.30043	0.5
116.10730	100.0
117.11034	0.7
151.51149	0.5
165.50609	0.6
188.88664	0.5
196.07335	57.2
197.03920	0.5
256.09036	0.6
270.11008	0.8
406.18967	0.5
407.27023	0.6
514.32837	5.3
532.33990	18.5
533.34784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51581	1.1
57.07072	66.0
65.03938	1.0
67.05497	3.0
69.07066	2.4
69.56467	3.3
71.08615	2.6
73.06522	1.1
79.05460	1.7
81.07049	2.8
83.07347	1.2
86.41457	0.9
87.04465	9.1
89.06026	100.0
91.05479	7.2
93.07046	10.5
95.04952	4.7
95.08571	1.9
98.09699	5.1
103.05470	3.1
105.04477	1.1
105.07047	2.1
107.04932	1.4
107.07070	2.2
107.08605	3.5
109.06463	1.1
110.95341	1.0
116.10741	4.6
117.07024	1.4
118.07788	4.6
119.04982	2.5
119.08595	5.9
121.06498	42.6
121.10101	2.4
131.06088	0.9
131.07048	3.6
133.08594	57.0
133.10152	2.2
135.08043	4.4
135.11658	1.5
147.08037	12.2
149.09637	4.4
149.13185	1.4
150.06726	3.0
152.60150	0.9
159.11668	1.7
165.09096	21.5
167.10719	1.3
169.30075	1.0
175.09674	1.8
177.11221	26.5
177.12717	2.4
191.10699	3.6
195.00314	6.4
196.07381	2.8
209.11696	13.3
211.03609	1.1
211.13310	3.4
221.13849	5.8
233.18961	20.4
235.13275	1.9
239.14998	1.4
253.14368	1.8
259.20529	3.0
271.15329	2.3
277.18573	2.0
277.21603	32.2
278.21960	1.3
296.28845	1.2
297.16891	1.5
303.23138	2.1
315.17926	4.0
321.24200	11.8
338.27527	1.2
359.20749	2.9
394.78378	1.1
403.23215	35.8
404.23615	2.5
468.43094	1.1
515.28387	1.8
515.35712	22.4
532.38184	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	533.1423
Annotation	Chaetochromin C
Peak:m/z	Relative Intensity
50.10197	1.0
54.42991	1.0
55.41026	0.9
56.96551	1.4
57.67341	0.9
70.06580	4.0
71.18481	1.8
89.70017	0.9
98.97599	4.3
106.26737	1.0
116.98626	1.8
130.46532	1.0
138.55901	1.1
200.80676	1.0
213.12686	2.4
250.30664	1.0
285.07935	2.2
303.01163	1.4
303.09140	1.9
305.10602	1.3
309.95782	1.2
327.09100	3.1
345.10040	2.0
387.10907	1.0
447.13608	2.5
489.15204	29.7
514.84344	1.3
533.14185	100.0
534.14325	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	533.163
Annotation	Orientin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
50.12952	0.7
55.03311	0.7
56.48113	0.7
70.06604	1.1
110.00301	0.7
155.96432	0.8
163.04004	0.7
165.05447	0.7
267.09906	3.6
271.04321	1.3
278.04095	1.8
285.10953	34.4
286.11099	1.1
422.67551	0.8
429.15439	1.2
447.16180	12.4
471.16260	2.5
489.17288	66.8
490.17896	4.1
515.15393	1.9
533.16272	100.0
534.16797	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	533.163
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17194	0.5
67.25464	0.5
70.67372	0.9
97.09589	0.4
107.26207	0.5
142.01726	0.5
147.69269	0.4
171.97928	0.5
185.05667	0.8
240.51376	0.6
267.09973	1.5
271.04272	0.7
285.10959	23.8
286.11380	0.6
287.03778	0.6
313.10562	2.0
331.11679	0.6
447.16165	8.8
471.15912	1.3
489.17273	55.9
490.17474	2.4
533.16266	100.0
534.17017	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	533.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50650	0.8
53.19803	1.0
55.66960	0.8
56.96567	29.4
64.17184	0.8
67.05495	2.0
70.06584	2.0
70.38723	1.1
70.39074	1.5
73.03945	0.8
81.03437	4.6
81.07047	1.1
84.96032	1.7
91.05482	1.5
93.07031	1.5
95.04961	6.6
95.08592	1.0
96.70291	0.8
98.91979	1.4
98.97583	45.6
105.07027	1.3
106.98099	2.4
107.08602	1.6
110.07179	1.3
116.98619	37.1
119.08578	2.4
121.10103	1.1
124.99103	6.2
129.07027	0.9
133.10133	1.4
134.99651	17.4
135.00581	1.3
140.00215	2.4
143.00137	4.7
145.01779	1.1
145.10132	1.0
153.00755	2.6
157.01779	1.0
157.10135	0.8
158.01204	1.4
159.03250	0.8
161.01218	1.6
163.02866	1.3
165.02254	1.4
169.01880	0.8
171.03331	1.4
175.14780	1.1
177.12592	0.8
181.01747	3.4
183.03261	3.4
189.16335	0.8
193.15852	1.1
195.03331	2.3
197.01218	1.0
197.04698	0.8
199.02824	3.4
199.06429	0.9
201.04364	2.9
204.58577	0.8
209.04868	2.2
213.04321	2.4
219.06903	2.1
221.04860	1.5
225.04439	1.2
225.07932	1.3
227.05913	2.1
233.08504	3.9
235.06418	2.3
237.08069	1.2
239.05881	1.2
245.08641	1.4
247.06416	1.5
247.10121	2.7
249.07878	1.0
249.11670	3.8
251.05936	1.2
251.09656	2.0
253.07439	2.3
261.08459	1.0
263.05917	1.7
263.09601	1.6
265.07468	2.6
265.11133	2.8
267.09232	0.8
267.12775	3.7
271.10144	4.0
289.07761	1.8
289.11060	15.2
291.12570	1.0
293.10626	1.6
299.13202	1.1
315.12582	1.6
317.10672	1.2
317.14218	1.8
327.12613	2.9
329.10516	1.1
343.12067	4.6
345.13840	3.8
353.14203	7.2
359.15607	1.4
361.13181	15.2
361.17316	1.3
369.17166	1.3
371.15323	19.6
389.16324	14.5
394.16895	1.0
395.15216	1.1
413.16339	100.0
414.16855	4.4
431.17368	12.0
454.18915	3.2
473.18481	39.5
474.18674	2.5
491.19690	1.5
533.20569	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	533.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	17.1
57.70481	1.3
67.05505	2.6
69.30225	5.3
70.06580	1.4
75.52202	0.9
81.03412	4.4
83.77558	1.1
84.96014	1.3
91.05474	1.8
95.04967	3.5
98.91944	2.6
98.97578	34.1
100.11274	1.8
105.07019	2.2
106.98129	1.1
107.08616	2.3
109.10156	1.3
110.07197	1.3
116.98616	22.2
116.99409	1.9
119.08602	3.0
121.10144	2.2
123.86450	1.1
124.99116	4.4
127.00668	1.2
133.10112	1.5
134.99643	9.1
136.21173	1.0
140.00156	1.0
143.00157	2.2
145.10088	1.2
153.00679	1.1
153.02214	1.2
163.11177	1.5
171.03317	1.6
181.01724	2.5
183.03253	1.4
191.14334	1.5
193.15903	2.1
197.01219	1.6
197.04932	1.9
199.02792	3.7
199.06425	1.2
207.06854	1.8
209.04851	3.7
215.02280	2.9
215.06035	1.1
221.04881	2.5
223.06375	2.0
225.04373	1.6
225.08022	2.0
227.05907	2.8
233.08528	1.2
235.06430	3.8
239.05959	2.6
247.10014	1.7
249.08028	1.9
249.11671	3.8
251.05945	2.6
253.07504	2.2
263.05914	1.5
263.09595	1.7
265.11102	2.2
267.12698	4.7
271.10031	6.5
281.07007	2.0
289.07782	2.1
289.11075	23.0
290.11682	1.3
291.12659	1.7
309.13638	1.4
315.19562	2.0
353.14191	11.2
357.13837	1.6
371.15311	16.4
389.16299	4.8
394.17395	1.2
413.16315	100.0
414.16660	4.5
421.29028	1.7
431.11642	1.5
431.17346	16.8
432.17371	1.4
454.19040	1.8
473.18439	65.8
474.18539	3.8
519.30792	1.2
533.28119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48553	1.8
53.03936	2.6
53.52300	1.7
55.01864	2.0
55.05523	2.1
60.08160	2.8
62.73035	2.3
69.03428	5.6
69.66285	8.3
71.04989	45.2
78.94086	1.6
80.55000	1.7
81.48019	1.7
83.04969	6.2
86.09702	12.9
91.05477	2.2
95.04977	3.3
98.09680	5.5
99.04449	47.9
100.73113	1.8
104.10792	4.5
105.07039	5.4
109.02864	5.0
115.05465	3.6
117.07006	4.3
120.19256	2.1
121.06485	6.0
125.00011	11.6
128.06232	5.2
129.06979	4.2
131.08589	1.9
133.06450	2.9
135.04439	4.7
142.07774	5.4
143.08572	4.4
145.06499	17.1
147.04416	2.0
147.07961	2.0
154.07762	3.8
155.08510	2.6
159.04395	3.2
159.08087	8.7
161.05962	18.4
165.07013	4.1
167.08563	2.5
169.06450	3.4
169.10101	2.1
171.08043	7.8
173.05980	5.2
173.09645	2.4
181.06496	2.8
181.10127	3.0
182.07291	8.2
183.08081	14.4
184.07332	44.5
184.08788	3.3
185.06104	3.2
185.07713	5.1
185.09615	10.2
186.06746	4.0
187.07555	2.5
195.08037	11.8
196.07251	2.4
196.08882	2.9
197.05934	3.0
197.09613	13.2
198.06773	6.0
199.07520	23.2
199.11195	5.4
201.09082	16.1
209.09586	10.0
211.07553	14.8
212.08304	28.3
213.09076	20.0
215.10643	14.1
223.07544	3.9
225.09071	100.0
226.09789	14.3
227.07030	9.6
227.10628	14.4
228.07516	2.1
229.08511	4.0
236.08171	2.4
237.09114	7.2
238.09888	28.9
239.07043	10.0
239.10463	3.6
240.07806	3.2
241.08554	6.4
242.09258	10.6
243.10143	41.0
249.09010	3.4
253.08647	7.1
255.10129	93.9
256.10757	6.4
257.11740	15.8
269.09143	3.3
269.11719	33.3
275.12802	6.1
287.12842	3.3
292.64563	2.2
296.12289	1.9
299.10638	3.4
313.12253	3.4
315.10162	4.0
323.10541	2.4
325.12238	2.5
328.10968	2.3
329.11517	2.5
336.11511	2.8
337.12213	3.4
339.13785	3.3
341.11316	2.9
341.14279	2.4
342.12875	2.0
351.13870	3.9
352.10858	2.5
353.11673	3.7
355.13245	11.1
356.14044	5.3
357.14749	3.4
367.13327	3.6
379.13135	6.0
384.13477	5.7
385.14346	5.6
393.14584	2.4
397.13959	4.0
398.58337	2.1
403.15292	7.9
435.15656	2.1
437.17197	6.2
455.18256	8.2
465.17041	18.8
483.18008	99.1
484.18311	5.3
497.19598	21.5
498.19965	2.5
501.18945	26.0
515.20605	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.9
59.35621	0.8
60.49678	0.8
64.40923	0.8
65.44769	1.0
65.91010	1.0
69.03420	5.6
69.29539	5.7
79.05464	2.1
83.04976	1.7
83.07352	1.8
83.80085	0.9
91.05497	4.7
92.14263	0.9
93.07047	2.4
95.04967	3.5
97.02872	7.9
98.09680	13.5
99.04439	1.4
99.10023	5.9
100.10291	1.4
105.07024	26.2
105.07729	1.6
109.02827	2.2
115.05455	1.6
116.10718	14.1
117.06980	0.9
117.11082	6.1
118.11280	1.3
119.04881	0.9
119.08563	1.3
121.06505	6.6
124.05225	1.8
126.70486	0.8
128.06233	2.7
129.06984	3.1
131.04930	1.3
131.08549	3.8
133.06502	7.7
133.10118	3.8
135.08035	4.6
137.05980	1.0
143.08484	1.4
144.05696	1.1
145.06505	2.5
146.07268	9.1
147.04375	1.6
147.08031	1.3
148.08823	9.9
149.05974	3.7
149.09570	2.3
154.15225	1.1
159.08060	2.0
161.09604	100.0
162.09952	1.8
165.07016	0.9
172.08693	1.5
173.09691	1.8
179.08534	1.0
185.74158	0.9
187.11162	1.1
188.08348	1.2
196.07285	5.8
197.06039	2.2
197.07687	3.9
197.09433	1.2
198.07820	1.7
198.10330	1.0
199.07632	1.7
199.11195	1.5
209.09544	1.5
215.10612	1.8
217.12024	1.2
223.11018	1.1
225.09067	2.9
225.12714	1.6
226.09694	1.3
227.06979	1.7
227.10651	2.5
238.09998	1.0
241.12157	2.8
242.09619	1.1
243.10146	2.4
244.10895	2.3
251.10844	1.0
253.08585	1.3
253.12331	1.6
255.10201	1.4
258.12512	1.4
271.13193	5.1
307.13382	1.0
319.13260	3.5
367.79291	0.9
373.18030	1.6
394.79138	0.9
401.17282	2.8
497.18158	1.6
532.32739	1.8
533.33270	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01876	3.4
55.05500	1.3
57.03433	7.0
61.02922	10.3
62.15934	0.7
63.96602	0.6
67.05490	1.1
69.03427	28.1
69.03802	1.5
69.07067	7.7
70.49397	1.1
70.49747	0.9
71.04986	3.3
73.02902	3.7
79.05481	1.6
81.03413	12.2
81.07057	3.1
83.01363	1.3
83.04945	0.7
83.08629	1.5
85.02901	91.2
86.03213	1.1
86.09721	3.9
87.04465	4.0
91.03960	4.9
91.05479	2.3
93.07027	3.2
95.04966	6.6
95.08586	4.2
97.02889	32.0
97.06539	4.1
98.22791	0.8
99.04447	5.1
104.05353	1.3
105.07017	2.9
107.08582	5.0
109.02869	9.4
109.06505	4.7
109.10147	1.6
110.44293	0.6
117.07098	0.8
119.08569	3.3
121.06496	2.8
121.10143	2.6
122.07284	3.2
123.08067	18.6
123.11723	1.3
125.24453	0.6
127.03914	23.4
129.14572	0.7
131.08600	1.5
133.10133	4.7
135.08047	25.8
135.11681	3.2
136.08447	0.8
137.09666	1.6
145.04950	34.2
145.10156	1.0
146.06364	1.1
147.07962	0.8
147.11707	2.3
149.09648	1.2
149.13269	1.3
161.09567	0.9
163.05986	4.9
163.14766	1.0
165.11330	1.1
165.12752	20.5
171.06509	2.6
173.13275	1.2
175.14801	3.4
176.11978	4.9
189.07558	2.5
191.14299	100.0
192.14668	1.4
193.15860	11.8
201.12303	1.0
207.13774	2.1
209.15388	11.5
254.12305	0.9
285.10989	1.2
309.16824	1.4
353.19321	3.4
371.20660	7.3
489.16919	2.9
533.16083	6.3
533.25629	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05037	0.7
58.06364	0.3
58.06618	0.6
60.08162	6.7
61.68340	0.2
63.80519	0.2
67.05489	0.4
69.60721	0.8
70.06590	0.4
71.07375	3.7
75.81618	0.3
79.05511	0.4
81.07047	0.3
84.37267	0.2
86.09705	32.1
87.10076	0.3
95.08589	0.3
98.23391	0.4
98.98467	3.3
99.97748	0.3
104.10741	6.0
110.07144	0.3
119.08589	0.3
125.00003	21.6
142.93924	0.2
143.01080	0.3
155.07068	0.4
161.13226	0.3
173.08116	0.7
184.07335	100.0
185.07613	0.7
238.10684	0.3
258.10977	0.3
260.64005	0.2
293.98871	0.3
353.80997	0.2
433.14807	0.3
516.30548	0.9
534.32086	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	534.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14845	0.6
55.01860	1.5
57.03428	1.8
59.45088	0.6
65.11860	0.7
70.06591	15.4
70.71359	1.3
72.04506	1.1
72.08136	2.6
80.05005	2.1
81.07061	0.9
84.08134	1.1
90.28626	0.6
93.05676	0.6
93.07035	0.6
94.06560	0.7
95.08607	0.8
96.04491	1.1
105.07015	2.6
107.08593	1.2
108.04473	29.9
109.10145	1.1
110.06010	1.0
110.09676	2.1
111.08057	0.7
112.07614	6.0
114.09160	7.5
119.08560	2.0
120.08067	0.6
121.10146	0.7
122.06030	1.4
123.06770	1.5
124.07588	3.0
131.08539	1.0
133.10130	2.1
135.08069	0.9
136.07573	89.1
136.57848	0.7
137.07910	1.9
138.09142	1.3
143.08566	1.4
145.10046	1.2
147.08069	0.8
147.11690	1.7
149.09544	0.9
150.09117	1.1
151.11147	1.2
157.10112	1.0
159.11697	2.1
161.09660	2.0
161.13239	1.8
163.03911	0.9
168.06607	1.3
169.13350	5.4
173.09564	0.7
175.11125	1.1
177.09048	0.7
178.08626	0.7
179.10744	1.0
185.13293	0.8
187.11185	1.1
189.12727	2.4
191.40129	0.7
196.09683	1.9
203.14304	1.2
219.13814	1.0
227.14464	0.7
245.15414	2.2
253.17801	1.1
262.14432	1.3
263.16418	2.7
266.18619	10.8
368.22131	2.5
370.23825	0.8
386.23196	8.7
498.33035	4.4
500.58298	0.7
516.34314	100.0
517.34497	4.5
534.22809	1.3
534.35376	20.7
535.35028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
56.05027	0.5
58.06592	5.0
59.25260	0.3
60.08149	2.7
67.05489	0.9
67.68760	0.3
69.07053	1.3
69.60934	0.7
69.61294	1.3
71.04974	0.3
71.07359	1.2
79.05484	0.7
81.07043	1.4
82.06567	2.6
83.04980	0.7
83.07355	12.3
83.08634	0.5
86.09704	8.0
88.07610	1.4
93.07050	0.5
95.08595	1.4
97.10191	0.5
98.09683	100.0
98.26292	0.4
98.98455	0.5
99.10017	1.0
104.10735	14.3
109.10170	0.9
116.10719	87.5
117.11079	0.9
120.45792	0.4
121.10148	0.7
124.99995	4.5
125.69302	0.4
126.13478	0.3
135.55556	0.3
184.07326	17.2
196.07323	76.8
197.07732	0.8
229.81279	0.4
339.29102	0.7
407.90207	0.4
451.59921	0.4
516.34515	5.7
534.35480	19.8
535.35889	0.5
544.42230	0.4
558.83569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.2
56.05038	0.4
58.06609	0.4
60.08161	6.2
60.81802	0.2
62.16529	0.2
67.05488	0.6
69.07070	0.3
71.07371	2.9
71.90801	0.2
77.65874	0.2
81.07049	0.6
81.26326	0.2
86.09701	28.9
95.08610	0.4
98.22620	0.4
98.98454	2.7
99.90806	0.2
104.10738	2.5
124.99041	0.4
124.99996	19.5
184.07330	100.0
185.07657	0.6
207.38864	0.2
267.25186	0.2
379.78827	0.2
386.37372	0.2
516.34698	1.0
534.35590	1.8
548.68781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.3
56.05030	1.4
57.07056	0.5
58.06595	2.1
60.08159	17.7
60.08466	0.9
67.05497	2.4
69.07043	1.2
69.74841	0.8
69.75225	1.0
71.07020	0.6
71.07374	7.4
71.28065	0.4
79.05463	0.6
79.54615	0.5
81.07042	2.2
82.06583	0.4
83.07359	2.2
86.09697	54.0
93.07038	1.0
94.04482	0.4
95.08602	2.2
98.09683	24.8
98.98470	5.1
104.10734	97.0
107.08539	0.4
109.10130	0.7
116.10698	0.8
122.53822	0.4
124.99993	29.9
163.01567	0.8
184.07324	100.0
185.07590	0.8
196.07326	26.8
203.49602	0.5
244.47446	0.5
258.11136	1.3
351.28967	1.2
361.43045	0.5
421.15781	0.7
516.34436	6.8
534.35498	21.1
535.35901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.3
56.93023	3.4
57.03417	7.1
57.07076	16.9
60.08149	4.9
67.05499	80.0
69.07057	24.1
69.21355	19.0
71.07373	5.4
71.08595	5.4
79.05476	23.7
81.07051	100.0
81.19143	3.2
83.08600	17.3
85.02874	4.5
85.10188	6.8
86.09698	24.1
89.06016	8.5
90.03146	3.2
91.05489	16.6
93.07039	28.0
95.08599	79.5
97.06522	8.2
97.10182	12.8
98.09694	9.2
99.08116	4.0
102.94419	4.0
104.10736	85.0
105.07041	12.1
107.08545	17.3
109.10138	38.5
111.08067	4.0
111.11728	3.8
119.08575	10.2
121.10155	22.1
123.11700	24.8
133.10139	17.0
134.08897	3.6
135.11694	15.3
137.13249	5.5
147.11713	12.1
149.13274	7.8
151.14803	6.0
155.14268	4.7
161.13268	15.4
163.14848	12.3
165.12695	4.3
165.16397	5.8
175.14822	11.5
179.18005	8.1
184.07359	11.6
189.16365	5.0
191.82883	3.5
196.07375	10.5
245.22617	71.2
263.23703	74.8
337.27356	67.4
475.22287	24.6
534.29297	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15371	2.4
55.05508	24.2
57.03433	3.3
57.07066	8.3
60.73547	3.4
61.02919	7.0
67.05158	5.6
67.05503	80.7
69.03419	6.4
69.07061	24.0
69.18297	16.0
71.04977	3.2
71.08616	3.3
73.02899	3.1
79.05486	24.9
81.03414	5.4
81.07054	100.0
83.04963	3.0
83.07361	6.6
83.08617	17.8
83.79099	2.6
84.52280	2.4
85.02895	8.9
85.10169	5.2
91.05460	15.2
93.07049	32.9
95.04948	4.6
95.08599	75.7
97.02869	6.1
97.06519	9.3
97.10154	9.7
98.09694	61.2
99.08107	6.8
104.10725	8.7
105.07018	13.6
106.07338	2.6
107.08578	23.0
109.10147	38.6
111.08079	3.8
111.11707	4.3
116.10739	20.5
117.07022	4.1
119.08591	11.2
121.10150	14.1
123.11717	18.3
127.03865	3.2
127.11204	3.1
131.08568	6.1
133.10135	14.8
135.11685	12.5
137.13243	9.3
139.11107	3.1
147.11717	6.8
149.13255	8.2
151.14856	6.4
161.13242	11.5
163.14803	9.9
165.16370	7.6
175.14882	9.9
179.17934	6.1
184.07341	3.8
189.16397	3.7
196.07333	62.6
240.96277	2.8
245.22615	50.0
263.23694	69.0
317.24667	4.0
330.84048	3.0
337.27298	25.2
353.25079	3.2
371.25815	10.5
375.40530	2.7
389.26840	7.5
399.02695	2.7
403.93991	2.6
407.27853	7.1
425.28897	3.3
440.48224	3.4
463.26907	6.3
534.35419	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	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	2.1
55.01869	1.5
57.03424	0.8
61.02918	0.8
67.05491	0.3
68.99800	1.2
69.03428	6.7
70.09226	0.7
71.04979	0.7
73.02908	1.6
73.70110	0.2
79.05493	0.3
81.03414	8.4
84.08139	0.3
85.02898	9.9
87.00825	5.5
90.13840	0.2
91.03938	0.3
91.05829	0.3
97.02885	3.9
99.04460	2.4
101.02374	0.3
102.69411	0.2
105.01852	2.9
105.03387	0.3
107.04955	0.4
109.02873	6.4
111.00785	0.8
117.01823	1.2
117.03374	0.5
121.02858	3.0
121.06475	0.3
127.03908	8.5
129.01854	0.5
131.04936	0.3
133.02821	0.7
133.03760	0.2
137.02318	0.7
145.02838	1.0
145.04944	2.4
145.06522	0.4
147.02930	0.4
147.04402	0.7
153.01830	4.6
157.06503	0.4
159.02873	4.5
163.03877	0.6
165.01833	2.1
171.04434	0.5
177.05429	1.1
181.04959	0.5
183.02917	1.3
185.06020	0.4
189.05440	0.5
197.06020	0.3
203.07082	0.4
209.09850	0.2
213.05519	1.3
231.04924	0.7
231.06790	0.4
241.04919	0.9
258.05215	1.1
259.05994	0.5
269.04446	0.3
270.82410	0.2
287.05472	100.0
288.05783	3.4
297.14685	0.2
299.06015	0.6
329.06387	0.3
535.14655	0.3
535.22321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
58.29083	0.7
58.45922	0.6
67.05508	0.8
70.06588	12.4
70.15576	1.8
70.15907	0.7
71.06921	2.0
73.04766	0.8
78.04698	1.0
79.05483	3.0
81.07052	1.1
83.06095	0.8
86.09669	1.6
89.03910	13.3
91.05466	3.4
93.07040	6.4
95.04963	2.2
95.08573	0.9
97.02866	0.7
103.05458	2.1
105.07013	1.5
106.04205	1.3
107.08565	2.2
109.10199	1.1
110.07159	8.1
111.07492	1.8
112.08710	0.9
117.03375	31.2
118.03695	0.8
119.08569	1.3
120.08105	1.0
121.06502	1.2
121.10159	5.8
131.04936	0.8
134.03612	2.4
135.04388	2.7
137.05942	1.6
143.04910	0.7
145.02837	65.4
146.03180	1.5
149.05972	9.7
149.09569	2.0
163.03874	1.4
163.07410	0.9
167.05536	1.8
174.03133	0.9
177.05455	100.0
178.05817	1.9
180.44469	0.7
181.04974	1.0
189.05446	10.4
225.04414	0.8
229.08569	1.5
236.08130	0.7
247.11137	1.1
269.11639	1.9
279.13602	0.9
287.05502	1.4
297.14780	2.5
299.06165	3.7
319.47803	0.8
325.14313	1.6
431.18744	1.1
446.27161	0.8
447.27353	1.3
460.77325	1.4
461.27188	1.3
488.29126	0.9
497.22543	0.9
502.79431	2.0
534.43286	1.2
534.79065	1.3
535.16724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01860	2.6
57.03437	5.1
61.02923	9.5
69.03427	16.1
70.06614	1.5
70.74842	1.5
71.04970	1.5
73.02922	4.5
73.04737	3.2
81.03407	7.0
81.96011	0.9
85.02898	100.0
87.04458	3.0
89.03918	3.8
91.03953	7.8
91.05769	3.4
97.02887	28.3
99.04452	3.1
109.02866	9.4
115.03921	2.6
117.03378	9.6
121.06477	1.0
127.03020	1.9
127.03909	24.3
134.03622	1.2
135.04387	1.3
144.06531	1.5
145.02849	31.8
145.04939	41.1
147.04404	2.9
149.04857	0.9
149.05962	6.0
163.03902	3.4
163.06006	17.2
163.73125	1.0
164.64975	1.1
167.05544	3.1
169.92332	0.9
177.05455	80.2
178.05824	1.3
180.87581	1.0
181.04941	2.5
195.06509	56.5
196.06873	1.3
225.04218	1.4
283.03201	1.4
288.05765	1.5
299.06189	9.5
316.42538	1.0
339.10803	1.3
344.97729	1.7
384.73538	1.0
415.03467	1.7
452.84268	1.0
536.23450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.7
57.03421	4.0
61.02920	4.1
69.03421	5.4
69.52798	3.8
70.06572	2.3
71.04990	44.8
73.04752	6.3
73.99809	1.4
75.04463	3.9
81.03400	2.8
82.14371	1.7
83.04977	28.4
85.02905	24.6
87.00835	3.6
87.04453	5.9
91.05439	10.0
91.05827	8.6
97.02882	5.3
99.04440	2.2
102.83840	1.4
105.01862	4.5
105.07040	1.3
109.02852	2.8
111.04433	44.7
113.06003	20.9
115.03931	3.8
115.54284	1.0
117.05505	9.5
119.04929	3.2
127.03915	5.6
129.05467	67.4
145.04936	2.9
149.04459	2.6
151.07530	15.8
167.05531	13.1
171.06497	24.8
171.07927	1.7
189.07570	100.0
190.07782	2.1
194.09680	1.2
225.04274	3.8
239.09450	2.8
261.11169	1.3
266.99872	3.2
283.03030	4.4
299.06158	28.3
300.06107	1.7
344.97629	4.1
397.93350	1.3
415.03534	4.5
503.11450	1.5
525.84558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.03422	1.9
67.05511	1.8
69.03429	5.0
69.59805	5.3
69.60159	3.0
70.06569	1.6
71.04990	1.9
73.04764	8.6
83.04974	37.0
84.94571	1.5
85.02901	100.0
87.00842	2.2
87.04453	2.3
91.05844	10.7
97.02898	4.7
99.04435	2.1
99.90607	1.8
105.01849	4.4
105.07005	1.9
107.08579	2.7
109.02865	3.7
109.06554	2.1
111.04449	23.6
119.08646	2.6
121.63092	1.5
127.03915	15.5
129.05467	9.8
133.10136	2.5
145.04929	5.2
145.10147	2.1
147.02739	1.6
149.04482	2.8
150.42989	1.6
151.07571	3.2
167.05547	13.6
171.06516	80.7
171.10188	4.2
179.07080	1.7
189.07571	48.9
217.15796	2.4
225.04230	2.5
235.16911	2.7
239.09369	3.0
266.99915	3.9
283.03018	3.8
299.06146	33.7
300.06323	1.8
333.11697	11.4
344.97598	8.3
359.02747	2.4
392.26462	1.9
404.58032	1.9
415.03653	4.1
503.11130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.7
55.05504	10.5
61.99100	3.1
67.05502	26.9
69.03430	9.0
69.07058	13.4
71.04992	6.9
71.44011	4.7
73.04749	18.3
79.05489	36.4
81.03439	6.6
81.07049	54.4
83.04980	11.9
83.08611	3.6
85.02894	18.2
85.06546	11.5
86.09705	3.6
87.00830	7.3
91.05410	17.9
91.05815	30.9
93.07044	36.3
95.04957	11.4
95.08605	33.4
97.02888	5.2
97.06519	39.4
98.72257	3.6
99.08101	16.0
105.01871	12.0
105.07013	40.2
107.08572	34.4
109.02872	6.4
109.06507	20.1
109.10139	38.9
115.05412	3.8
117.07009	7.2
119.08579	39.5
120.27897	3.5
121.06540	3.9
121.10144	22.3
123.08057	4.7
125.05981	11.1
125.09623	10.9
127.03914	14.3
127.07534	12.9
129.07016	5.5
131.08565	23.4
133.10132	29.6
135.11684	6.1
137.09587	9.3
142.07741	8.1
143.08554	14.6
143.10609	5.0
144.09351	5.2
145.10115	14.8
147.11703	16.2
149.04491	11.2
149.09589	7.3
151.03891	3.7
151.11163	4.4
157.10097	22.1
159.11673	39.2
161.09607	11.6
161.13248	10.0
167.05551	46.0
171.05269	3.5
171.11697	6.5
175.11183	7.9
175.14845	3.9
179.10687	9.7
189.16425	9.3
199.14838	18.2
217.15810	30.2
225.04298	13.3
230.22540	4.2
233.15733	3.6
235.16855	26.0
239.09509	11.8
266.99976	10.7
281.05054	5.2
283.03033	15.4
299.06134	100.0
300.06232	4.7
332.50195	3.2
344.97546	23.3
359.02838	10.2
389.03040	3.3
415.03494	15.5
476.31665	26.9
503.10483	7.7
556.37555	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	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77864	2.2
55.01878	3.4
55.05514	20.9
59.05005	4.5
65.03934	5.3
67.05498	45.9
69.03420	16.1
69.07059	25.0
71.04968	7.1
71.98505	2.6
73.04752	17.2
74.98288	2.4
77.82513	2.3
77.95804	2.7
79.05486	32.0
81.03410	19.1
81.06612	5.1
81.07052	41.5
83.04979	17.2
83.08627	5.8
85.02904	6.8
85.06534	10.2
86.89906	2.7
91.05463	30.3
91.05856	11.6
93.07037	56.5
95.04962	100.0
95.08603	31.7
97.02880	3.9
97.06519	11.9
98.00195	3.2
100.11273	5.7
105.01836	5.5
105.04501	5.3
105.07024	54.8
107.08588	58.9
109.06511	6.8
109.10158	53.5
111.04427	3.4
113.05986	3.0
115.05466	4.4
117.07018	11.3
119.08581	45.3
121.06538	4.0
121.10133	28.8
123.08049	12.6
123.11669	4.6
124.05126	3.6
125.05979	15.6
125.09618	6.9
127.03923	4.9
128.06215	6.0
129.06998	8.6
131.08556	28.4
133.10129	28.4
135.08099	4.5
135.11684	34.3
137.09682	3.4
139.11163	5.3
141.05217	2.6
142.07787	7.3
143.07005	3.1
143.08533	14.3
145.10097	25.4
147.07938	3.3
147.11688	13.4
149.04512	7.3
149.09619	11.8
149.13251	7.8
153.09023	4.6
157.10107	16.0
159.11670	8.2
161.09587	3.5
161.13173	3.5
163.11174	10.8
167.05534	21.6
167.10674	60.0
169.09956	3.3
171.10139	15.2
171.11559	4.9
173.13284	8.2
175.14803	6.3
179.10675	5.2
183.15648	3.6
185.11734	12.7
187.14795	6.3
189.16405	5.8
199.14801	7.5
205.15831	5.4
217.15816	13.9
235.16943	6.8
239.09460	5.4
266.99838	4.6
283.03043	10.9
288.08630	8.0
299.06155	58.7
344.97696	7.5
359.02829	3.6
415.03665	7.6
426.37280	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	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60255	0.2
55.05501	0.5
57.03430	0.4
57.05816	0.3
57.07070	1.1
58.06594	5.1
58.95797	0.2
67.04214	0.1
67.05489	0.3
68.05031	0.3
69.07066	0.3
71.04955	0.2
71.08636	0.8
71.45426	0.2
73.04744	0.5
74.09712	0.4
81.07063	0.3
81.90605	0.2
82.06570	3.3
83.04951	0.2
83.07360	12.3
85.10179	0.5
85.86333	0.2
88.07623	2.0
89.06007	0.2
91.05794	1.1
95.08593	0.5
97.10096	0.2
97.40124	0.2
98.09688	86.5
99.10020	1.0
101.08409	0.2
104.82323	0.2
109.10125	0.2
116.10725	100.0
117.11053	0.8
149.04533	0.3
167.05576	1.0
196.07330	52.1
197.07712	0.5
225.04337	0.4
234.41391	0.2
249.75935	0.2
254.62361	0.2
266.99902	0.4
270.11029	0.6
283.03156	0.4
299.06146	2.2
300.06146	0.4
341.30627	1.4
344.97650	0.4
415.03583	0.3
449.91187	0.2
518.28247	0.2
518.36017	4.6
519.36279	0.2
536.37103	18.7
537.37408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.9
57.03416	4.2
57.07076	8.3
60.08166	16.8
67.05507	18.2
69.07079	24.7
69.12208	3.1
70.27114	3.5
71.07381	4.6
71.08622	6.3
71.42966	4.1
73.04766	17.2
78.59840	3.1
79.05492	12.1
81.07064	25.0
83.08625	15.7
86.09704	50.1
91.05811	39.7
93.07037	9.4
95.08601	22.5
97.06538	5.9
97.10172	8.7
98.98455	5.8
104.10742	61.6
107.08595	10.8
109.10181	11.5
111.11729	6.9
121.10134	13.0
123.11733	6.7
123.42780	3.8
125.00010	30.1
133.46198	3.4
135.11690	13.8
137.13292	3.5
148.96198	3.0
149.04488	6.9
149.13191	6.0
149.31282	3.9
163.14783	4.4
167.05539	48.3
184.07336	100.0
225.04367	7.4
239.09560	5.2
242.94362	3.6
247.24203	13.1
251.92282	3.8
260.56732	3.5
265.25192	35.4
266.99896	7.7
283.03149	14.8
299.06146	94.1
300.06296	5.5
322.07800	3.5
339.28998	35.7
344.97711	14.0
357.29837	9.2
415.03784	19.0
518.35876	5.7
520.54224	5.0
536.37561	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	537.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48821	2.3
55.05500	8.0
57.55857	2.1
58.99586	4.0
65.03948	5.3
69.03414	4.4
69.17413	15.1
70.06602	7.4
72.08172	3.1
73.04774	4.5
79.05505	3.4
81.03426	3.3
81.07062	8.3
83.08625	8.3
84.04494	16.7
84.08141	3.1
85.02898	7.5
91.05435	19.2
95.04941	2.7
97.02910	5.3
102.05505	2.3
102.92335	2.1
104.62997	2.2
105.07006	3.8
110.07175	3.6
116.01684	10.9
119.04945	32.8
129.10187	2.7
130.05035	7.0
133.06464	5.6
136.07594	3.5
137.02258	2.8
137.05995	6.4
142.03221	3.0
144.01195	2.3
145.02858	4.1
147.04404	100.0
148.04767	3.6
149.04459	2.7
159.08420	8.0
161.05986	4.2
162.02171	15.3
163.03870	3.0
167.05609	7.0
177.05507	6.5
179.07002	5.9
181.04961	30.3
197.08110	13.2
240.71579	2.3
246.84630	2.8
259.11197	3.1
261.10898	2.5
262.11169	9.5
279.13760	6.8
299.06113	8.3
300.06223	8.8
333.14691	3.0
341.79987	2.5
345.97556	3.2
408.17838	3.8
537.25201	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	537.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.1
56.90740	1.2
67.05503	2.3
69.03431	2.4
70.06599	7.5
73.04745	5.4
79.05496	1.9
81.07084	1.3
84.08154	1.4
85.46864	1.4
86.09692	1.6
91.05836	10.0
92.05747	1.8
93.07030	7.4
95.04960	5.6
95.08594	2.1
97.02885	6.0
100.11274	1.3
105.07023	5.0
113.06008	1.5
119.08597	4.2
129.10252	1.5
130.92973	1.2
133.10146	1.8
142.07773	2.7
143.08626	2.1
167.05536	6.8
168.05591	3.2
185.09656	3.7
225.04332	1.8
226.04315	1.7
245.06355	3.3
266.99915	2.6
271.13156	2.9
283.03146	1.8
284.03278	2.0
289.05298	20.0
289.14136	5.1
299.06161	10.1
300.06223	10.6
345.97952	3.8
400.14700	1.5
416.03586	3.3
493.20483	17.9
537.19403	100.0
537.34009	4.5
538.19885	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	538.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05519	2.5
61.02937	2.2
65.03930	1.6
67.05500	1.6
69.03428	6.2
69.14301	10.9
70.06592	31.1
71.01341	1.8
72.08157	3.0
73.02938	1.9
73.04774	1.7
79.05505	10.6
80.27936	1.5
81.03419	2.8
81.07053	44.3
83.05033	1.5
84.04505	2.8
84.08155	2.1
85.02907	14.0
85.06541	1.8
86.09690	2.7
91.03938	2.3
91.05475	4.7
91.18552	1.4
93.07056	7.8
95.04977	2.6
95.44966	1.6
97.02866	7.2
103.05479	3.4
105.07030	25.3
107.04941	3.2
107.08574	2.4
108.06351	1.7
109.02859	3.2
109.06524	6.4
109.10186	3.2
110.07165	2.6
115.05476	1.9
117.97361	1.5
119.04945	2.4
120.08129	2.1
121.10141	2.7
123.08061	1.8
127.03909	5.3
131.08684	1.8
132.06610	2.4
133.02798	2.4
133.06487	61.2
135.08093	10.7
137.09584	4.3
143.08574	1.6
144.01106	1.8
145.04970	5.4
147.04404	6.1
147.08032	2.3
148.04773	2.7
151.07553	25.7
156.13773	1.9
161.05978	37.3
161.09581	9.7
163.05936	2.4
165.09116	8.7
167.05534	2.6
169.08615	10.1
174.14900	2.5
177.05501	2.1
179.07027	54.1
181.04999	3.2
183.15042	2.0
197.08087	100.0
198.08510	2.1
207.10216	6.6
219.06490	4.3
225.11253	1.9
227.12802	6.0
229.11868	13.1
246.70319	1.8
252.83737	1.7
290.03488	1.6
299.06094	5.4
301.05954	4.9
304.78436	1.6
323.11240	3.0
341.12259	3.2
538.25623	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
56.05022	3.5
57.03416	2.0
61.01117	1.9
61.02917	2.3
65.38133	1.3
69.03429	7.0
69.07065	2.3
70.06597	1.8
71.00677	1.7
73.04790	1.4
79.05476	1.7
80.22819	1.0
81.03426	1.9
81.07072	1.3
84.04527	1.2
85.02898	11.1
86.09686	1.9
91.05437	6.7
93.07030	5.0
94.04202	2.0
95.04958	1.6
95.08594	2.0
97.02901	2.8
103.05487	8.9
104.05330	10.6
105.07018	6.1
107.04944	2.8
107.08594	3.1
109.02910	1.7
109.06503	2.0
109.10164	1.7
115.05450	4.6
117.06973	2.3
119.08552	5.8
122.03644	6.3
122.05957	1.3
127.03886	3.3
128.06204	3.3
129.07025	3.8
131.04909	15.5
132.05670	4.9
133.06454	2.9
135.08096	1.2
135.11658	2.6
137.05962	100.0
145.02803	1.1
145.04945	1.7
145.06471	1.6
146.03178	1.3
147.08093	6.6
149.06046	2.4
149.07442	3.0
149.93411	1.2
157.06483	1.4
159.08040	1.4
160.05206	3.9
161.05965	7.2
163.03809	1.2
163.07513	25.4
169.06526	1.8
175.07530	79.6
176.07939	2.7
177.05418	2.7
178.05824	1.5
180.88174	1.0
181.04985	9.1
187.07535	5.4
191.08565	4.3
193.08614	5.1
199.07532	7.3
201.09088	2.0
203.08557	3.3
206.29720	1.3
219.08109	6.5
219.17513	1.4
220.08818	1.4
231.07996	4.6
236.08301	2.3
237.18565	1.4
247.07568	3.3
248.08292	2.1
251.10600	9.0
259.07455	2.6
260.08157	1.6
260.10648	4.4
263.10553	2.1
264.07791	1.7
266.76630	1.3
279.10089	8.5
291.10138	6.1
292.10910	1.7
301.05893	3.0
311.12747	23.9
323.12677	15.7
325.14316	4.7
341.13797	2.6
359.18396	1.3
373.18842	1.7
469.52353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05518	1.3
57.11857	1.0
63.33608	1.0
68.18085	0.9
69.03432	2.6
69.07049	1.2
69.39731	1.8
69.40144	3.5
70.06576	4.4
71.04978	1.3
73.04755	2.1
73.34698	1.0
79.05477	1.0
80.42677	1.0
81.03405	1.4
81.07040	2.5
83.08642	1.7
84.04510	2.0
85.02907	7.7
91.05824	1.8
93.07050	1.3
94.04197	1.4
97.02904	2.0
100.11241	5.1
100.47860	1.0
101.81215	1.2
103.05473	2.0
104.59362	1.1
107.08588	1.6
109.02893	1.1
109.06510	1.0
110.35137	1.1
114.09147	2.0
115.05421	6.8
117.07027	2.1
119.04961	1.6
120.08138	1.9
121.15334	1.0
122.03642	4.0
125.05965	1.7
126.85502	0.9
129.07013	4.4
131.04941	2.9
131.08626	1.1
135.11705	1.3
137.05963	79.2
143.04919	9.4
144.05699	1.2
145.04965	1.8
145.06454	2.7
151.03976	2.0
153.05440	2.2
154.12328	1.1
157.06525	4.5
158.07129	0.9
160.05193	13.5
161.05963	3.0
162.39244	0.9
163.03947	1.0
163.07549	2.3
167.05531	1.8
172.05225	2.1
175.07533	100.0
176.07819	1.7
177.05486	2.4
177.09082	1.1
180.08528	1.8
181.04993	3.1
182.15297	1.4
187.07524	31.4
189.09064	5.6
189.63277	1.0
203.08571	2.4
205.08583	20.7
217.08630	2.3
219.08069	1.9
219.80214	1.2
231.08060	2.1
235.09589	18.3
247.07516	1.8
248.08315	1.8
251.10690	1.8
263.10812	1.6
270.08972	1.2
271.09659	2.3
274.92334	1.0
276.07925	1.4
279.10175	2.5
291.10165	4.6
299.06250	2.4
300.06390	1.8
301.05988	4.5
311.12701	3.7
323.12997	5.0
341.13779	5.0
354.70099	0.9
536.97479	1.0
538.28326	3.7
538.41010	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	539.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81160	0.7
69.07072	0.8
71.45605	0.8
84.66166	0.8
91.05788	0.8
92.38170	0.7
141.56416	0.7
142.59116	0.8
145.30855	0.7
167.05544	0.9
228.84933	0.7
267.09897	100.0
268.10223	2.6
285.10980	1.0
286.98233	0.8
295.09378	18.6
296.10056	2.1
301.05530	0.8
308.12521	3.3
431.76825	0.8
514.57898	0.9
539.20203	30.0
539.31659	54.8
540.20563	2.3
540.32196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90046	1.1
70.56694	2.0
76.99461	1.3
83.04970	2.4
84.44998	1.1
163.59476	1.4
164.77313	1.3
179.76831	1.2
183.04114	1.6
239.60406	1.4
251.31010	1.4
267.09921	100.0
268.10239	3.6
295.09402	62.9
296.09882	1.7
300.06174	1.4
300.98529	1.5
308.12570	3.9
336.12225	2.0
507.17780	4.1
539.19781	3.9
539.31854	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	539.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32661	3.7
71.26486	0.6
73.04802	0.7
81.03416	1.1
87.04473	1.0
92.06116	0.6
95.04984	1.0
104.99268	4.8
167.05637	1.0
269.12433	0.7
301.05875	1.1
337.17596	1.0
341.11734	0.7
363.97546	0.7
397.19849	20.6
398.20300	1.3
453.53629	0.6
457.21964	100.0
458.22324	5.1
539.32855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96027	0.4
59.54922	0.4
63.33376	0.4
84.12264	0.4
87.04491	0.5
91.05803	0.9
93.07008	0.7
95.04961	1.7
104.07092	0.9
104.99265	2.9
119.08608	0.9
121.10139	0.8
135.11586	0.8
145.10129	0.5
163.11150	0.7
173.09824	0.5
183.69194	0.5
215.74788	0.5
301.06180	0.7
302.05688	0.7
337.17731	6.5
384.33832	0.5
397.19785	10.4
457.21921	100.0
458.22449	5.0
479.25903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.05512	2.5
57.03439	3.7
61.02919	3.1
61.46807	1.4
61.80477	1.6
66.96377	1.5
67.05504	3.5
69.03432	17.6
71.04993	3.7
73.02921	3.6
74.64307	1.7
79.05503	5.9
79.30508	1.7
81.03413	15.6
81.03851	2.1
81.07063	7.4
83.04984	3.8
85.02895	25.7
87.00828	13.6
91.05497	5.4
93.07038	10.4
95.04991	2.8
95.08620	4.4
97.02891	10.5
98.23558	2.9
99.04474	5.9
105.01881	7.4
105.07025	13.1
107.08607	6.9
109.02871	15.8
111.08099	2.2
117.01861	3.0
117.07096	3.7
119.08586	5.9
121.10149	3.9
123.08080	1.8
127.03909	19.5
128.06221	4.2
129.01854	3.0
129.07027	4.8
130.07854	1.7
131.08588	6.1
133.10147	3.1
134.95157	1.7
135.08092	2.8
141.80341	1.5
142.07785	7.8
143.08563	13.9
144.09280	2.0
145.04991	7.4
145.10143	15.2
147.02954	1.7
147.08028	1.6
147.11740	1.8
149.09605	2.4
151.77148	1.8
155.08627	4.4
156.09357	2.6
157.10114	26.2
157.11217	2.2
159.02881	8.2
159.11679	7.7
161.09653	1.9
167.08636	3.2
169.10141	7.6
171.11761	5.8
181.10182	4.0
182.10974	4.9
183.11646	2.5
185.13324	4.5
188.26349	1.8
195.11801	4.3
197.13202	12.9
199.14793	7.6
201.16351	1.9
211.14862	3.6
213.12735	2.2
229.15985	4.2
231.04964	3.2
255.17593	2.8
273.14758	5.5
273.18423	3.3
289.05270	9.9
291.15558	9.0
301.05978	2.4
416.02682	1.9
437.17804	2.0
450.64694	2.1
453.21210	8.1
471.88800	1.7
495.21927	23.2
521.19659	8.3
539.20355	100.0
540.20410	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	539.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.05512	2.5
57.03439	3.7
61.02919	3.1
61.46807	1.4
61.80477	1.6
66.96377	1.5
67.05504	3.5
69.03432	17.6
71.04993	3.7
73.02921	3.6
74.64307	1.7
79.05503	5.9
79.30508	1.7
81.03413	15.6
81.03851	2.1
81.07063	7.4
83.04984	3.8
85.02895	25.7
87.00828	13.6
91.05497	5.4
93.07038	10.4
95.04991	2.8
95.08620	4.4
97.02891	10.5
98.23558	2.9
99.04474	5.9
105.01881	7.4
105.07025	13.1
107.08607	6.9
109.02871	15.8
111.08099	2.2
117.01861	3.0
117.07096	3.7
119.08586	5.9
121.10149	3.9
123.08080	1.8
127.03909	19.5
128.06221	4.2
129.01854	3.0
129.07027	4.8
130.07854	1.7
131.08588	6.1
133.10147	3.1
134.95157	1.7
135.08092	2.8
141.80341	1.5
142.07785	7.8
143.08563	13.9
144.09280	2.0
145.04991	7.4
145.10143	15.2
147.02954	1.7
147.08028	1.6
147.11740	1.8
149.09605	2.4
151.77148	1.8
155.08627	4.4
156.09357	2.6
157.10114	26.2
157.11217	2.2
159.02881	8.2
159.11679	7.7
161.09653	1.9
167.08636	3.2
169.10141	7.6
171.11761	5.8
181.10182	4.0
182.10974	4.9
183.11646	2.5
185.13324	4.5
188.26349	1.8
195.11801	4.3
197.13202	12.9
199.14793	7.6
201.16351	1.9
211.14862	3.6
213.12735	2.2
229.15985	4.2
231.04964	3.2
255.17593	2.8
273.14758	5.5
273.18423	3.3
289.05270	9.9
291.15558	9.0
301.05978	2.4
416.02682	1.9
437.17804	2.0
450.64694	2.1
453.21210	8.1
471.88800	1.7
495.21927	23.2
521.19659	8.3
539.20355	100.0
540.20410	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	539.2651
Annotation	Okaramine O
Peak:m/z	Relative Intensity
69.07060	0.4
69.26537	1.6
78.08060	0.4
81.07061	0.5
83.08588	0.4
83.42252	0.3
88.07613	0.4
89.06028	0.6
98.23443	0.9
101.86253	0.3
115.62753	0.4
134.06511	0.3
140.90196	0.4
143.65390	0.4
143.82944	0.4
181.28627	0.4
239.15517	0.4
363.16101	0.9
375.16788	0.5
377.17535	2.2
378.18372	2.5
379.18997	2.3
391.19098	2.5
392.20016	3.5
393.20648	8.8
394.21317	0.7
404.20816	0.4
405.20642	1.2
406.21469	1.5
407.15976	0.6
407.22202	9.1
408.22491	0.6
419.18384	0.6
421.17505	0.7
421.23856	5.3
422.17239	1.6
422.24026	0.4
423.12808	0.6
423.18161	3.1
433.20523	1.1
436.18774	1.9
437.19632	9.8
438.20572	1.4
447.21823	0.4
448.22504	0.9
450.20596	0.5
451.21255	16.0
452.21707	1.1
465.22849	3.0
466.23743	3.0
477.20090	0.7
477.26474	4.2
479.24393	1.7
480.25128	0.6
493.25818	0.5
494.26663	0.8
495.20486	0.5
495.27396	7.0
503.24234	2.6
510.22601	4.3
511.22931	0.6
521.25256	2.8
524.24261	0.9
539.26477	100.0
540.26709	6.3
540.53345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96619	0.2
66.15307	0.2
71.43776	0.2
86.50011	0.2
115.98204	0.2
119.30703	0.2
155.00990	0.2
185.04263	0.3
187.15852	0.2
192.88293	0.2
203.05339	0.6
259.08035	0.5
296.92224	0.2
301.06082	0.2
358.37830	0.2
539.31885	100.0
540.32208	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	539.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
138.98178	0.2
185.04251	0.3
194.88321	0.2
225.04343	0.3
259.07892	0.2
374.92609	0.3
535.77386	0.3
539.31860	100.0
540.32214	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	540.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94505	0.4
55.01861	1.0
57.03419	1.0
65.03944	2.9
67.05496	0.7
69.03413	2.1
69.59177	1.6
69.59550	0.9
73.02901	0.6
78.52631	0.5
81.03400	1.2
82.04204	0.9
85.02901	5.6
95.04927	0.5
97.02886	2.6
97.06499	0.7
99.04433	0.9
110.03654	0.7
111.04353	0.5
111.16193	0.5
117.04103	0.4
125.06001	0.6
127.03890	0.9
132.07962	0.5
138.03110	0.6
140.04697	2.1
145.04919	1.0
153.05482	3.3
155.07047	0.6
171.06517	3.0
172.69078	0.6
181.04942	100.0
182.05281	2.1
199.05981	0.7
238.10548	0.5
299.51089	0.5
343.10208	26.6
344.10461	1.1
505.15543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01857	2.8
57.03435	1.2
61.02911	2.4
67.05495	1.9
68.55772	0.7
69.03416	5.8
70.06587	6.1
70.35069	2.1
71.04998	2.4
78.98293	0.8
79.05487	9.9
80.29802	0.8
81.03404	2.3
81.07047	4.2
83.01344	3.7
84.08118	1.0
85.02901	20.5
86.09698	1.5
87.04464	1.2
91.05463	7.3
93.03387	0.9
93.07036	3.6
95.04946	0.9
97.02905	6.6
97.06517	3.0
99.04453	3.6
101.02366	1.0
105.07031	5.2
107.04939	0.9
107.08590	37.5
108.08891	1.0
109.02850	2.4
109.06490	2.4
110.07182	0.9
115.05441	0.8
117.07016	4.8
119.06049	1.5
121.06623	0.8
125.09611	1.6
127.03897	5.4
133.06532	1.0
135.08041	35.0
145.04930	9.5
152.14377	1.0
153.09093	1.9
159.03673	0.8
160.14983	0.9
163.07521	100.0
164.07889	2.8
180.08687	1.3
181.05092	6.5
181.08585	85.1
199.09641	34.2
277.82111	0.9
279.27127	0.9
325.12869	1.7
343.14044	2.0
355.05276	1.0
497.16016	1.1
541.15106	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	540.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.5
57.03429	7.3
57.07070	13.8
60.27789	5.3
65.03951	5.5
67.05499	100.0
69.07077	11.9
69.44772	20.3
70.06618	7.7
79.05489	27.1
81.07043	33.4
83.08630	9.1
84.30657	4.7
88.07645	8.2
89.06041	10.1
91.05473	37.5
93.07031	35.7
95.04955	6.2
95.08618	22.8
98.22729	7.6
102.40552	5.0
103.38709	5.2
105.07024	43.0
107.08571	12.6
109.10142	63.3
117.07023	9.4
119.08582	29.3
121.10143	11.7
129.07027	7.4
131.08559	15.7
133.10136	23.6
135.11713	5.7
145.10158	12.7
147.11723	20.9
157.10196	7.7
161.13297	8.5
171.10323	5.6
171.11679	8.5
173.11755	20.3
173.13197	7.4
174.46999	5.6
175.14816	6.0
227.12732	6.5
229.14308	71.1
235.57585	5.2
241.19522	20.5
256.26349	16.8
259.20541	45.5
283.26556	5.9
300.60590	6.1
311.29446	18.1
333.24200	39.9
337.27225	8.4
487.34091	11.3
540.53406	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	540.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
55.05509	34.0
55.35231	2.3
56.15039	2.5
57.03443	6.4
57.07069	19.3
65.03957	2.2
67.05500	32.2
67.33096	1.9
69.03443	2.7
69.07067	9.7
69.07354	13.5
70.06588	10.7
71.08623	9.6
71.29853	1.9
71.63942	2.0
73.02902	3.6
74.26992	2.0
79.05496	20.6
81.07062	25.8
83.08617	17.2
85.10191	3.3
87.04431	2.2
88.07626	17.0
89.06018	2.5
91.05463	10.4
93.07044	19.3
95.08596	17.9
97.10159	36.7
102.09176	11.6
105.07013	3.9
107.08590	17.7
109.10146	10.1
117.07016	3.0
119.08552	2.6
121.10134	6.1
123.11720	2.7
125.09630	36.6
131.08571	3.9
135.08014	4.6
159.11734	4.6
161.13263	2.3
173.13301	2.1
189.11188	25.5
189.12613	2.7
192.79143	2.2
197.11780	2.0
227.12772	41.0
243.20973	5.1
245.13840	49.7
256.26309	35.8
261.22128	13.0
274.27310	3.4
283.26349	8.3
284.29510	6.5
311.29419	31.3
325.66394	2.2
333.45258	2.2
335.25778	40.0
336.25754	2.9
414.85580	2.2
505.35056	12.7
540.53461	100.0
541.53381	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	540.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05505	9.1
57.07074	20.8
64.37137	2.6
67.05516	20.8
69.03431	6.4
69.07021	16.8
69.07422	8.3
70.06583	19.1
70.07390	3.1
71.08630	15.6
79.05483	16.9
81.03415	13.2
81.07056	23.0
83.04994	3.5
83.08631	3.9
85.02895	6.1
85.10175	5.0
87.04475	3.6
88.07626	24.4
89.06027	100.0
91.05463	14.7
93.07033	20.1
95.05005	4.6
95.08610	18.2
97.02891	4.5
97.06532	3.2
97.10206	4.8
97.70815	2.6
102.09203	19.0
105.07034	10.5
107.07112	4.9
107.08612	11.9
109.10171	7.5
117.07039	5.1
119.08601	9.7
121.10177	9.6
123.08122	2.8
129.07024	4.3
131.08580	7.0
133.08600	53.7
133.10147	6.9
135.11719	7.9
143.08586	3.1
145.10112	11.6
147.11604	5.9
147.16594	2.9
149.13266	5.1
159.11636	3.7
161.13280	5.4
163.14957	2.9
169.33464	2.6
177.11227	17.7
183.11797	3.1
185.13414	3.1
201.16565	2.7
255.47455	2.8
256.26367	60.0
274.27521	5.4
283.26358	11.9
284.29431	15.5
300.14059	3.0
311.29398	50.7
327.20111	30.5
397.28326	3.9
540.53497	90.8
541.53821	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	540.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05507	32.9
57.03434	8.1
57.07072	28.4
58.06591	2.6
67.05502	33.9
69.03421	5.9
69.07059	13.1
70.06590	22.6
71.07301	1.6
71.08636	13.6
73.02892	1.9
75.04455	1.5
79.05488	24.2
81.07053	32.2
83.04993	2.4
83.08621	23.8
85.10165	4.2
88.07626	24.9
89.06027	2.7
91.05495	9.3
93.07037	18.9
95.04990	4.3
95.08612	21.4
97.10159	40.6
98.09669	1.6
102.09171	19.7
105.04516	1.8
105.07008	3.7
107.08588	22.1
109.10168	9.9
117.07033	2.9
119.08595	4.2
121.10114	9.7
123.11710	3.1
125.09615	35.5
131.08542	3.8
133.10126	3.5
135.08047	3.1
135.11687	5.0
141.98656	1.8
145.10159	2.5
147.11641	2.0
149.13292	2.2
150.65036	1.6
152.87912	1.7
153.09079	1.8
159.11676	2.0
160.80171	1.8
173.13342	3.0
189.11201	27.5
211.52596	1.8
227.12767	34.0
245.13853	37.4
256.23621	2.6
256.26343	51.5
256.91367	1.8
257.26813	1.9
261.22018	10.1
274.27493	5.1
283.26361	15.5
284.29471	10.9
307.50092	1.7
311.29431	48.9
311.33084	3.3
317.24591	2.3
335.25775	42.6
469.50626	1.7
505.35352	21.9
540.53473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06547	0.7
71.42771	0.5
71.90799	0.3
85.02840	0.4
97.02816	0.4
102.34396	0.3
181.04930	3.9
182.05278	2.8
185.04169	2.3
217.04672	3.6
219.63600	0.4
245.73935	0.4
344.10568	1.6
347.09570	0.5
379.09973	100.0
380.10229	3.5
541.15314	22.7
542.15668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2046
Annotation	Pilosanol A
Peak:m/z	Relative Intensity
53.04242	1.0
65.92569	0.9
70.06602	1.1
70.71774	1.6
70.72099	1.9
84.95997	1.5
92.27331	1.0
101.16706	1.2
103.52811	1.0
108.43252	1.0
119.29786	1.1
164.37053	1.5
295.15628	1.4
308.51910	1.2
323.15292	1.9
327.13336	1.6
338.05865	1.3
340.13550	2.5
346.10635	1.1
497.21552	7.4
509.21497	2.1
523.19342	3.4
541.20410	100.0
542.20679	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	541.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62663	1.9
55.05516	2.1
56.96561	5.6
59.49282	1.8
62.96789	1.7
71.42840	2.8
71.97589	1.9
84.35646	1.9
85.02901	2.0
91.05472	2.6
100.11244	4.7
119.04916	2.3
147.04353	10.2
182.15463	2.5
189.09117	4.3
210.14879	3.6
243.10066	3.0
263.94104	2.2
275.19897	2.1
293.14185	6.9
305.02609	26.4
335.15143	15.0
377.16641	2.3
484.86615	2.0
497.21484	12.2
541.20428	100.0
541.38361	3.0
542.20514	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	541.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.5
62.47807	1.6
63.71485	1.8
69.03445	2.5
97.22016	1.6
98.97598	6.5
108.23873	2.0
111.08839	1.7
116.98632	3.1
126.25977	1.5
152.01598	2.0
155.74663	1.7
158.99615	3.4
173.01279	1.9
177.00743	2.9
275.13223	4.7
279.04028	1.8
289.05301	2.1
293.14224	3.2
303.01215	5.3
305.02667	25.9
497.21786	12.6
541.20483	100.0
542.20776	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	541.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	21.2
66.00957	1.2
70.78810	2.8
71.04981	1.3
76.19875	1.1
81.27969	1.2
85.52108	1.3
94.39713	1.3
112.99129	1.6
115.00703	4.3
131.00153	2.1
133.01749	3.0
159.03313	2.7
161.01115	1.4
235.10335	1.2
239.85049	1.3
256.46570	1.4
275.13498	2.1
293.14206	20.4
305.02667	21.4
311.15182	1.8
332.46814	1.3
335.15280	28.3
335.19113	2.3
336.15381	1.4
349.16913	2.2
353.16357	1.9
377.16354	4.0
497.21277	12.2
541.20343	100.0
542.20746	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	541.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65780	0.9
69.03422	1.3
69.89555	2.0
69.89940	1.8
70.06599	1.5
71.05019	0.9
81.57793	1.0
84.04432	1.0
90.88068	0.9
93.07040	1.5
98.22794	1.4
105.07007	1.7
140.36177	1.2
141.98659	1.1
166.97932	1.0
185.04080	1.2
189.09096	2.4
203.05330	2.3
243.04744	1.7
245.06345	6.0
259.09781	3.0
275.16125	12.2
277.10733	6.0
277.17566	5.3
287.03748	13.3
289.05276	67.7
290.05640	1.8
293.17313	3.4
361.09406	1.1
371.09457	1.3
423.16132	1.2
455.22314	2.6
497.23575	19.8
525.15814	1.6
541.22540	100.0
542.22705	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	541.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97872	0.3
55.05508	0.5
67.05497	0.5
69.31981	1.7
81.07047	0.9
83.17236	0.3
87.20776	0.3
93.07048	0.4
95.08598	0.4
103.06526	0.3
105.70267	0.3
107.08572	0.3
121.10143	0.3
141.01572	0.3
146.54033	0.3
163.03995	0.3
181.04948	4.7
243.04898	0.6
303.06842	26.0
541.26160	100.0
542.26550	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05503	1.0
56.74889	0.7
57.03411	0.6
57.73644	0.6
61.02917	0.7
63.02401	0.7
67.05479	1.5
69.03422	2.4
69.07040	0.6
70.06578	1.8
71.04965	0.6
71.23003	0.8
79.05458	0.9
81.03407	4.5
81.07051	5.5
85.02899	9.2
85.06535	1.0
85.95439	0.6
86.09687	0.9
89.03909	4.1
91.03931	0.8
93.07060	1.1
95.04956	1.9
95.08609	4.8
97.02890	3.0
99.04461	0.8
104.45352	0.6
107.04929	1.7
109.02876	2.5
109.10162	3.5
117.03372	4.4
119.08592	0.6
123.11715	3.9
127.03911	2.4
127.11169	2.3
135.03372	0.9
135.04399	12.4
137.09602	1.9
145.02855	9.6
145.04912	3.3
151.11130	1.0
155.10635	1.6
163.03894	100.0
164.04211	2.1
165.05473	0.7
165.09090	4.1
169.12222	9.5
181.04958	4.6
183.10161	2.9
187.13275	7.6
201.11136	4.2
228.67166	0.6
271.48349	0.5
307.08102	3.9
325.09094	4.6
331.17352	0.9
345.15341	1.7
385.48215	0.6
507.14984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.9
69.03426	18.9
70.06596	7.8
70.10680	9.0
73.16878	4.0
76.61202	4.1
81.03402	11.9
85.02905	24.4
87.00831	8.4
91.05472	4.6
92.37196	4.2
95.04929	8.4
97.02876	13.0
99.22264	4.7
101.94633	3.7
103.05419	4.0
109.02841	8.5
117.35159	5.1
121.06486	15.0
123.04416	4.7
123.08125	5.2
127.03944	15.5
129.06999	5.0
129.10263	7.3
140.57533	4.0
141.06964	4.4
142.07806	8.7
145.04985	5.7
147.08127	4.4
149.05981	25.4
152.06259	8.2
157.10123	5.4
161.05916	8.9
165.06955	5.9
165.09120	18.6
167.08578	19.2
170.07210	8.5
177.05478	50.3
181.03354	5.1
185.09698	20.8
195.08043	12.3
197.05923	8.3
198.06749	57.9
199.07552	7.6
213.09091	88.3
231.04903	4.6
231.10094	8.3
241.08588	90.2
248.59377	4.6
259.09631	100.0
283.09650	7.3
403.13852	4.8
461.14587	30.4
489.13910	49.8
507.15009	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	542.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01862	2.7
57.03436	3.6
61.02919	3.7
64.93297	1.5
65.03941	3.7
65.61858	1.4
67.05495	5.1
69.03427	9.8
70.57709	3.5
79.05492	14.8
81.03428	13.7
81.07055	32.2
84.20981	1.5
85.02907	32.6
87.61916	1.5
91.03931	2.0
91.05476	61.9
93.07049	2.4
95.04966	14.9
97.02882	8.3
99.04434	3.7
103.05441	3.3
107.04958	4.8
109.02872	4.3
109.05776	1.9
109.06509	24.3
111.91254	1.4
117.34281	1.6
119.04936	65.1
121.02868	8.6
121.06534	1.8
127.03924	12.4
134.03619	2.3
135.04396	5.4
137.05974	49.9
143.08182	1.6
145.04970	14.0
147.04408	70.8
155.06912	1.4
163.06001	9.8
165.05481	100.0
173.04451	4.1
183.06529	12.3
191.05528	2.8
264.30475	1.7
309.09683	3.1
325.11322	1.9
327.10764	3.8
495.98819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35606	0.8
53.03944	1.8
55.05501	4.9
57.03439	1.5
59.04993	2.1
61.02908	1.2
67.05502	12.6
69.03425	5.6
69.07069	2.7
69.77513	1.9
69.77864	1.7
70.06596	2.5
71.04991	4.1
72.08150	1.2
73.02914	0.9
79.05496	2.1
81.03424	1.8
81.07054	7.0
85.02904	16.8
91.05492	2.3
93.07039	8.5
95.04952	4.1
95.08604	45.5
97.02905	6.1
97.06542	1.0
99.04460	4.9
99.08109	3.1
107.01355	0.9
107.08595	1.8
109.02875	1.4
109.06464	0.9
109.10155	67.3
110.07189	1.4
110.10497	0.9
111.04444	0.9
113.06020	2.7
119.08578	5.4
121.10174	4.5
127.03910	4.3
137.09610	34.7
145.04939	6.8
147.08046	5.7
155.10651	25.2
156.11162	1.1
163.06036	3.0
165.09113	100.0
166.09444	1.4
179.06699	0.8
180.08670	1.2
183.10165	93.0
184.10541	1.4
201.11220	35.2
237.68872	0.9
272.34738	0.9
345.15543	2.0
367.89209	1.0
374.58789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.07072	33.5
61.50636	0.6
63.12308	0.5
64.75662	0.6
69.07050	1.3
69.59058	2.6
71.08628	24.6
73.06551	7.7
76.99193	0.6
83.08619	2.1
85.04912	0.5
85.10177	23.2
87.04469	5.3
88.37305	0.6
89.06025	100.0
91.07578	1.5
94.11090	0.5
97.10178	2.9
98.23512	0.6
99.11712	4.0
99.13515	0.6
101.95190	0.6
104.10757	0.7
107.07062	3.2
113.13285	2.1
117.09129	4.5
130.08598	1.5
131.07060	1.6
133.08597	47.8
134.08913	0.8
151.09694	0.6
155.17924	3.8
161.11720	1.3
177.11203	18.4
199.20573	3.8
221.13811	3.1
239.14915	1.2
243.23155	6.9
264.02411	0.6
283.17380	1.5
287.25885	3.9
327.19815	1.3
371.22668	4.7
434.71503	0.7
525.39960	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	543.1111
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
54.94884	1.3
70.06582	5.1
72.08176	1.7
81.03410	2.5
83.52672	1.5
85.02888	6.1
97.02895	2.3
98.97576	2.8
107.20937	1.9
125.05994	1.7
145.04945	4.0
149.05951	3.6
154.02861	1.5
167.07088	9.1
219.01749	2.0
237.02856	1.8
318.35617	1.5
363.02228	1.6
363.06705	6.6
381.05756	4.8
543.11102	100.0
543.32172	2.4
544.11426	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	543.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05460	0.6
68.99786	70.1
69.73305	1.3
69.73692	1.1
79.05486	1.1
85.89899	0.6
87.04438	0.6
91.05480	0.9
95.04974	1.3
97.02926	0.6
103.05477	5.1
105.07028	22.5
105.07743	1.2
111.00768	1.4
114.72983	0.5
116.01672	0.5
131.03958	1.0
131.04919	15.6
131.90004	0.5
133.04930	3.1
139.00246	8.6
147.00728	1.4
151.00258	0.8
157.01335	0.6
163.00282	1.2
165.01849	2.6
166.99741	11.7
167.73245	0.6
168.00525	1.3
169.01311	11.2
183.02847	1.2
185.00806	100.0
186.01364	2.5
193.01340	1.8
194.99190	2.7
197.00771	0.9
197.05998	0.6
202.99689	0.8
206.99380	0.8
209.00710	1.2
210.41502	0.6
211.02455	0.9
213.00291	9.5
214.99771	2.2
215.07153	1.2
218.99173	1.2
221.00778	1.7
225.00243	3.1
225.05440	1.9
230.99310	1.0
233.00798	2.2
237.00299	3.2
242.99295	1.0
243.06509	3.2
246.98759	1.9
249.00369	1.1
253.04945	1.9
261.00250	1.1
271.05988	69.7
272.06506	1.7
273.07535	7.9
288.99792	10.9
295.07388	0.7
298.49167	0.6
298.98230	4.0
299.05530	4.9
307.00800	2.5
316.99261	5.7
319.58875	0.6
335.00247	2.8
347.05447	0.8
357.03693	0.8
365.15277	9.1
375.04877	1.3
393.06088	4.1
403.04373	2.6
411.07111	4.6
421.05530	11.1
479.11111	2.3
497.12247	2.1
507.10669	2.2
525.11719	1.0
543.19739	2.5
546.86200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11707	0.5
50.94987	0.5
51.88441	0.5
54.70174	0.4
55.01865	0.7
55.05505	0.5
57.07055	0.8
58.93680	0.5
68.99786	79.6
69.26917	2.7
70.00111	0.5
75.68694	0.5
77.00283	0.6
79.05474	1.3
81.03487	0.5
81.07045	1.0
84.04507	0.7
91.05480	1.7
93.07059	0.7
95.08593	0.6
97.02858	0.9
103.05465	5.7
105.07027	22.9
105.07739	1.2
105.40018	0.5
111.00809	1.1
112.01491	0.5
115.05470	0.7
124.93317	0.5
125.02331	1.0
131.04919	13.0
132.05235	0.5
138.99275	0.9
139.00269	9.8
141.01836	0.6
141.07043	0.8
147.00735	1.1
149.02327	4.2
151.00305	0.6
155.04851	0.6
157.01291	1.2
159.11552	0.6
163.00180	0.7
165.01822	2.8
166.99744	9.2
168.00484	1.3
169.01312	12.0
172.52620	0.6
183.02901	1.1
183.04437	0.7
185.00807	100.0
186.01222	2.7
190.99608	0.7
193.01344	1.8
194.99217	1.9
197.00716	0.7
197.05988	1.0
205.01407	0.7
209.00732	1.3
213.00294	8.4
214.99718	2.1
215.07022	2.0
217.01349	0.5
218.99216	1.2
221.00771	2.0
225.00311	2.1
225.05405	1.8
233.00789	2.2
237.00258	2.1
242.99197	0.9
243.06552	3.0
246.98753	1.9
249.00433	0.7
253.04976	2.2
261.00232	0.9
271.05994	71.9
272.06418	2.4
273.07529	7.9
275.20050	1.0
288.99792	8.0
298.98297	2.8
299.05478	4.6
307.00845	2.1
316.99207	5.2
319.06100	0.5
329.04483	0.8
335.00388	2.6
347.05463	1.2
352.03619	0.6
375.05032	1.2
393.05978	3.0
403.04236	1.1
411.07077	3.1
421.00076	0.6
421.05521	10.2
440.03394	0.5
479.11224	1.4
497.12259	1.0
507.10846	2.6
525.11469	1.1
543.18549	0.6
543.27197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32330	0.3
66.58999	0.3
90.72746	0.3
95.03277	0.3
96.71971	0.3
154.33794	0.3
186.90186	0.3
198.39192	0.3
226.05200	0.3
246.57307	0.3
543.13196	100.0
544.13593	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	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79118	1.5
54.49274	1.3
70.72405	3.6
111.17329	1.4
118.48435	1.4
135.09991	1.4
285.93271	1.4
381.07861	18.2
460.11160	1.9
501.08524	2.0
533.95740	1.7
543.13196	100.0
544.13763	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72921	0.7
66.43011	0.6
92.01186	0.7
98.22704	1.7
130.23778	0.6
140.08357	0.6
330.21417	0.8
381.07910	15.6
382.08347	0.8
543.13184	100.0
544.13434	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	543.2209
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
54.30648	1.9
57.01672	2.1
70.47677	5.1
85.02871	2.4
93.07028	2.4
109.02929	2.0
119.08582	2.7
125.06295	1.7
145.05051	2.3
147.07950	2.6
156.76392	1.8
160.16444	1.9
277.14856	2.6
289.05182	2.2
293.21112	2.6
295.15750	3.3
300.27310	2.1
420.43930	2.3
434.15219	2.4
468.86115	2.5
499.23340	12.4
525.12921	6.6
525.22614	8.1
543.14294	23.7
543.22083	100.0
544.14038	3.1
544.21857	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2416
Annotation	Sarcaglaboside D
Peak:m/z	Relative Intensity
50.40038	0.6
51.54587	0.5
53.66392	0.5
65.35974	0.5
70.06588	0.7
71.43275	0.5
74.92342	0.6
79.05511	0.5
81.07055	0.9
93.07030	0.6
107.08579	0.5
113.91739	0.6
127.00155	0.5
146.85519	0.5
147.04456	1.5
163.03874	2.7
165.64233	0.5
201.03734	2.3
215.05263	0.9
219.04788	1.2
239.43571	0.5
243.04689	3.7
245.02757	1.2
252.00038	0.7
257.84152	0.6
261.05768	4.7
261.18167	2.6
269.02875	0.6
279.19214	4.6
287.03705	3.2
295.15442	0.5
305.04745	6.4
337.16965	0.7
375.75836	0.5
439.23096	1.7
448.51584	0.6
451.67557	0.5
457.24414	2.5
463.23465	0.9
481.24109	6.1
499.25073	12.6
507.22043	1.2
525.23059	24.7
526.23364	1.1
543.23975	100.0
544.24274	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	543.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.05504	10.3
56.05028	3.8
56.73033	1.1
57.07063	1.2
58.99590	7.7
60.92765	1.1
65.07669	1.0
67.05502	20.6
68.99777	2.8
69.03412	2.0
69.07064	10.9
69.37681	2.8
69.38083	2.8
71.04960	1.8
76.02221	16.7
79.05484	13.3
81.07049	26.7
81.67370	1.0
83.04978	6.3
83.08607	4.9
84.04497	62.9
85.02917	1.8
85.06544	1.5
86.99037	5.5
90.05080	1.3
91.04939	2.5
91.05472	18.2
93.07037	21.7
95.04964	6.3
95.08594	18.1
97.06532	3.5
97.10168	2.0
102.05553	3.4
103.05463	1.2
105.00070	6.8
105.07022	24.7
107.04965	6.4
107.08578	12.2
109.06506	10.3
109.10131	8.6
111.08054	2.4
112.20931	1.2
117.06997	5.7
119.08578	14.5
121.06505	9.9
121.10142	9.9
122.02721	71.8
123.08043	5.2
123.11705	1.8
125.09657	1.7
127.65823	1.0
129.06961	2.2
130.04994	22.4
130.88414	1.1
131.04855	1.5
131.08563	13.5
133.06465	2.4
133.10098	14.3
135.08037	5.2
135.11670	4.4
137.09595	2.1
142.03203	12.6
143.08490	1.4
144.04755	1.7
145.06439	1.3
145.10098	12.2
147.08025	3.1
147.11682	8.3
149.09637	5.7
149.13208	1.7
151.11153	5.2
155.08560	2.2
157.10123	3.1
159.08011	2.4
159.11674	7.9
161.09615	2.3
161.13223	3.6
163.11147	5.9
169.10129	1.5
171.11691	2.7
173.09621	2.7
173.13220	5.8
175.11209	3.6
177.12776	1.6
183.11697	2.3
185.00804	4.9
187.05339	1.9
188.03726	11.1
189.12848	1.7
191.14339	1.9
201.12805	2.9
204.38020	1.2
207.13766	4.6
215.17917	2.3
219.13789	3.3
229.19550	2.3
233.05923	4.6
233.15298	1.3
234.04288	15.1
239.17996	2.0
247.20633	3.2
251.06946	83.0
257.18945	9.6
271.06000	2.4
273.18460	2.4
275.20038	100.0
276.20193	1.6
291.19675	1.8
293.21082	69.4
294.21417	1.8
470.02716	1.2
518.30231	1.1
525.26233	1.5
543.27411	27.5
544.27673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2736
Annotation	CHEBI:67691
Peak:m/z	Relative Intensity
55.01856	6.0
55.05510	14.6
57.03437	1.8
57.07077	2.6
58.75159	1.2
65.03931	3.2
67.05168	2.7
67.05502	36.4
68.43839	1.3
68.99789	15.6
69.03417	1.9
69.07069	13.6
69.57398	5.5
71.04970	2.1
75.05019	1.3
76.02223	2.0
79.05493	27.7
81.03422	2.9
81.07054	73.8
83.04972	5.6
83.08611	10.1
84.04499	26.4
85.01104	1.6
85.06506	2.3
88.03998	2.5
90.42567	1.2
91.05477	27.5
93.06541	1.3
93.07046	26.5
95.04960	13.3
95.08604	28.1
97.06519	6.1
97.10165	1.6
99.08127	1.6
103.05438	1.5
105.04564	1.9
105.06356	2.2
105.07028	33.8
107.04932	11.1
107.08591	18.6
109.06513	21.9
109.10147	11.6
111.08058	3.9
112.02180	1.6
113.00495	1.5
113.04272	1.7
115.74226	1.3
117.06998	7.6
119.08572	28.3
121.06480	6.6
121.10138	13.4
122.02712	4.8
123.08071	7.8
123.11671	5.2
125.04231	1.6
125.09601	5.2
129.06967	3.3
130.04979	6.5
131.04900	1.7
131.08566	11.9
133.06511	2.3
133.10143	17.8
135.08031	6.6
135.11703	7.5
137.09587	5.5
139.05833	1.6
142.03180	2.4
143.08559	2.9
143.83772	1.3
145.06494	1.9
145.10124	11.5
147.08057	3.1
147.11674	18.7
149.09618	9.4
149.13234	7.6
151.11191	3.0
154.04971	1.8
155.08568	1.7
157.10135	3.1
159.11665	7.5
161.09621	2.3
161.13254	3.2
163.11113	7.4
163.14798	3.6
165.12753	4.9
166.99725	2.9
169.06755	1.5
169.10101	2.4
171.11717	2.3
173.09605	1.3
173.13257	5.8
175.11137	2.9
175.14731	1.5
177.12746	2.7
183.11650	1.5
184.04283	2.0
185.00786	19.1
185.13377	1.4
187.11075	1.7
187.14842	3.3
193.12199	3.0
201.12708	2.4
213.00325	3.0
213.08176	2.8
217.08328	1.8
223.13206	2.2
229.19434	3.9
231.04370	1.5
233.06033	1.8
234.04155	1.6
239.18011	3.6
247.20558	4.9
251.06892	4.2
257.18942	7.7
271.05933	11.7
275.20044	100.0
276.20175	2.5
288.99725	1.7
293.21082	22.2
307.17279	2.3
316.99344	1.7
327.14932	2.9
333.18832	3.0
350.21564	5.1
351.19949	3.0
368.22641	5.0
378.20920	4.2
396.22021	48.7
414.23059	27.2
416.22165	3.0
421.05829	2.1
434.23828	3.9
525.26099	5.1
526.24585	3.2
543.27429	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	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00256	1.1
51.02367	1.7
51.97947	0.8
53.03942	3.7
55.01877	5.9
55.05510	22.0
57.03436	4.2
57.07074	2.4
60.08155	1.4
65.03951	2.7
67.05505	52.9
68.99789	3.8
69.03438	2.6
69.07066	20.0
69.72437	1.2
69.72791	2.8
71.04987	4.7
73.02905	1.1
73.06493	0.9
76.94772	0.9
77.03910	1.8
79.05492	60.8
81.03422	3.0
81.07056	54.0
83.04970	4.9
83.08622	13.3
85.06553	1.2
86.09692	5.3
89.06060	1.5
91.05479	38.6
93.07043	69.9
94.07382	1.5
95.04971	16.7
95.08604	53.4
97.02914	4.1
97.06514	8.2
97.10158	3.4
98.22768	1.8
99.04473	2.5
99.08067	1.0
103.05510	1.6
104.10742	19.3
104.11384	1.7
105.04550	3.6
105.07027	30.3
107.04948	11.6
107.08592	45.0
109.06561	3.5
109.10155	8.9
111.04414	1.6
111.08095	3.2
113.05976	1.1
117.07019	17.2
119.08572	22.6
121.05386	0.7
121.05769	1.1
121.06483	6.4
121.10147	22.3
123.08069	1.6
123.11742	3.3
125.06024	2.2
125.09649	2.0
128.06250	1.3
129.06976	4.3
130.07837	1.6
131.04953	1.2
131.08563	13.4
133.06487	1.3
133.10124	13.9
135.08090	3.5
135.11687	44.7
136.11987	1.1
139.07545	2.0
143.08586	4.7
145.06467	1.1
145.10121	33.8
146.98209	3.4
147.11685	7.1
149.09642	3.2
149.13260	4.4
153.12813	1.3
155.08553	1.7
157.10173	3.8
159.11691	6.1
161.13266	3.3
163.11177	53.1
169.10184	2.9
171.11691	2.5
173.09688	1.7
173.13228	4.3
175.14848	1.5
177.12811	1.7
179.14293	2.0
181.12231	12.5
183.11719	1.1
185.00841	3.9
185.13313	1.6
187.14871	1.9
191.10680	1.7
197.13350	1.9
209.11778	2.3
214.94846	2.4
227.12769	100.0
228.13193	2.1
243.21190	1.9
247.20650	1.2
257.18985	2.2
261.22137	6.0
271.06024	3.2
275.20056	13.5
276.00323	1.0
293.21106	1.4
315.23312	0.9
317.24728	2.2
433.31192	1.8
451.32214	2.3
469.33084	1.8
485.26370	11.0
525.35931	4.2
543.21161	4.3
543.36804	69.0
544.36029	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82240	0.7
51.02347	1.1
53.03908	2.5
55.01829	2.6
55.05508	17.0
55.05753	0.8
56.47995	0.6
57.03388	3.1
57.07033	2.1
65.03889	2.2
67.05501	40.8
67.05840	1.4
68.99734	1.5
69.03378	2.1
69.07063	11.6
71.04987	3.6
73.02884	1.3
76.48467	0.7
77.03886	1.7
79.05488	58.1
81.03364	2.1
81.07052	42.8
81.07497	1.4
82.07348	0.7
83.04986	4.9
83.08615	9.0
85.06494	1.8
91.05474	26.9
92.05818	0.9
93.07040	70.5
94.07338	0.9
95.04965	14.0
95.08601	48.2
97.02891	4.0
97.06519	4.4
97.10122	2.0
99.04406	2.7
99.08051	1.2
103.05427	1.5
105.04525	3.5
105.07024	18.4
107.04948	9.6
107.08588	41.0
109.06474	2.4
109.10162	8.4
111.08070	1.2
113.09586	0.8
115.05414	1.9
117.07014	15.3
119.07780	1.2
119.08572	16.7
121.06501	6.8
121.10138	24.1
123.11683	1.2
125.05946	2.2
125.09556	1.1
129.06956	2.5
130.07748	2.6
131.08566	8.1
133.10104	8.3
135.07999	2.6
135.11685	49.2
136.12003	0.8
137.09549	0.9
137.13144	0.9
139.07466	2.4
139.11185	0.9
141.07005	0.7
143.08510	2.1
144.09322	0.7
145.10115	30.5
147.08022	0.7
147.11662	2.9
149.09579	1.2
149.13252	3.9
155.08580	1.2
157.10103	1.3
159.11618	4.3
161.13171	2.6
163.11171	56.8
163.14801	1.4
164.11516	1.2
169.10114	1.0
171.11630	1.1
173.09627	1.0
173.13222	2.9
175.14743	1.4
181.12222	12.6
183.11630	1.0
185.00775	1.5
185.13268	0.8
195.11588	0.9
209.11676	1.7
227.12761	100.0
228.13101	0.9
241.92467	0.7
243.21066	2.4
261.22144	7.2
268.80627	0.7
271.05923	1.6
275.20096	1.3
317.24689	1.3
356.60315	0.7
440.42096	0.7
451.32007	1.3
469.33139	1.1
525.35883	2.9
543.36914	47.7
544.37158	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	544.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74044	2.0
65.03925	2.3
65.64456	2.3
69.03431	2.7
69.98275	4.0
69.98679	3.9
70.06597	2.5
81.03422	4.4
85.02900	4.0
86.09677	2.9
97.02914	3.8
98.23348	2.8
100.32679	1.9
110.03722	2.4
121.06323	2.0
125.05927	2.6
139.94716	1.9
140.04689	6.7
142.02664	2.5
149.20027	2.0
153.05487	3.4
155.06999	3.3
155.57376	1.8
163.03943	4.2
171.06503	3.0
181.04948	100.0
199.05988	7.7
268.72653	2.0
280.34909	1.9
325.09076	5.8
343.10205	7.6
510.77365	2.1
545.25482	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	544.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11073	2.3
59.13720	2.3
61.79598	2.0
65.03949	2.8
65.70994	1.9
69.80190	6.0
69.80533	3.0
71.74757	2.0
76.89605	1.9
81.03401	5.9
87.93692	2.0
92.66067	2.3
95.04943	2.6
110.03619	2.3
136.71523	1.9
138.14061	2.2
140.04694	5.2
148.12933	1.7
153.05504	3.0
156.12930	2.4
165.27121	2.0
167.47328	1.9
171.06522	4.7
181.04941	100.0
199.06044	6.6
299.46054	2.1
321.44208	2.6
325.09186	8.7
343.10205	9.4
506.42276	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	544.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	20.0
69.03418	3.4
70.83069	6.0
73.02913	11.8
75.03387	2.6
79.05511	6.7
81.03415	35.6
85.02894	38.0
86.29160	3.4
88.67093	3.2
91.03951	22.7
91.05481	3.8
93.07053	13.2
95.04991	8.0
97.02885	15.5
107.04988	6.8
109.02866	6.0
116.98589	2.9
121.06493	21.0
123.08099	3.6
125.05991	6.0
127.03954	9.6
145.04922	17.6
149.05977	37.7
149.07056	4.6
163.03859	7.7
163.06017	35.1
167.07028	100.0
264.11646	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	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01865	10.2
55.05497	7.4
56.96571	3.9
57.07058	8.3
58.90231	3.4
59.04983	4.6
61.02941	4.0
67.05500	6.6
69.03432	22.2
73.02914	6.1
81.03404	16.2
85.02895	44.5
85.06538	57.5
87.00828	25.2
88.58511	3.1
91.05482	9.3
97.02888	23.6
98.22681	7.3
99.04463	9.7
101.06017	16.8
105.01854	26.9
105.07040	28.1
109.02874	24.8
111.08070	12.1
117.07025	4.9
119.08560	16.8
121.06447	5.4
127.03898	38.6
131.08591	5.1
133.10139	11.5
135.08028	24.2
142.01744	4.3
143.08479	4.0
145.04967	15.6
145.06476	7.2
146.07259	10.0
147.08023	6.0
149.05971	11.4
149.09607	61.6
159.02895	8.1
159.08046	5.3
161.09596	18.1
173.09685	4.3
175.11203	10.5
177.09152	11.8
178.09567	3.4
179.10660	42.7
179.62878	3.7
187.11143	4.7
188.08316	4.5
191.10596	3.9
200.12025	3.3
201.09111	6.0
203.10709	9.3
215.10548	3.3
215.14310	7.4
219.46593	3.1
227.10712	4.5
231.04984	12.5
233.15340	100.0
241.12263	6.6
243.13779	16.8
261.14847	39.1
268.23041	3.8
269.11691	5.5
295.41400	3.3
316.60712	3.9
365.60907	3.3
403.85263	3.8
408.09201	3.6
433.80942	3.5
466.62601	3.7
493.39035	3.4
544.27472	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	544.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86057	1.3
53.03930	2.2
55.01859	1.8
55.05504	1.7
57.03432	4.2
67.05484	4.3
69.03423	5.1
71.04983	2.8
73.02892	1.6
81.03416	3.9
83.08581	1.6
85.02907	8.2
87.00816	5.7
91.05473	5.1
93.07034	3.9
95.08604	6.6
95.67387	1.2
97.02879	5.2
99.04456	4.4
100.11208	1.3
105.01862	5.0
105.07030	5.6
107.08562	1.5
109.02873	4.2
111.08062	2.9
117.06985	2.7
119.08588	6.1
121.06490	1.6
123.08066	10.8
127.03880	7.7
135.08054	27.3
139.07538	12.3
143.08548	1.4
144.68538	1.5
145.05037	1.4
145.06490	3.4
149.05968	8.5
149.09607	55.9
155.08551	2.3
159.08089	4.6
161.09581	3.1
163.11125	6.5
171.08058	1.5
172.08807	15.5
173.09598	9.9
175.11203	3.7
185.09608	1.6
186.10423	9.2
187.11168	49.4
188.11490	1.4
191.10590	1.7
199.11188	2.0
200.11966	3.1
201.12753	18.8
203.10616	3.1
205.12166	1.8
215.14310	29.1
231.04962	2.7
233.15361	15.9
243.13821	12.2
245.15364	4.6
261.14841	100.0
262.15231	2.5
279.15967	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	544.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20884	1.6
54.21769	1.8
55.01867	1.8
55.05518	3.3
57.03438	5.1
61.02920	4.4
62.95210	1.6
65.03961	1.7
67.05508	6.7
69.03424	6.5
69.07074	5.3
70.06591	9.2
71.04988	1.7
71.42983	2.3
72.08150	2.3
79.05504	15.6
81.03419	2.2
81.07053	13.4
83.04996	2.0
84.08140	2.7
85.02896	18.8
86.09689	2.6
91.05487	10.8
93.07045	49.9
95.04957	4.9
95.08605	26.2
97.02885	16.5
97.06566	2.3
105.07041	4.0
107.04942	2.3
107.08566	8.8
109.06554	1.9
109.10163	4.9
111.04400	3.7
111.08083	7.8
118.06557	3.0
119.08602	5.9
121.06538	2.8
121.10137	41.5
125.05994	2.2
127.03913	3.5
129.10219	2.5
130.06543	8.0
131.08557	17.8
137.09624	19.1
139.11192	6.0
144.08093	5.3
145.04979	3.0
148.97452	1.7
149.09622	25.8
163.03874	1.8
163.06093	2.4
167.10678	78.9
172.07614	4.5
181.04984	1.8
185.11728	100.0
190.08678	6.0
203.12785	15.3
221.09679	1.5
250.46097	1.6
262.83163	1.5
272.09238	1.9
275.07553	2.3
307.05841	1.7
336.60037	1.6
544.16364	2.7
544.26971	2.1
545.06683	2.7
545.14722	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	545.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01852	1.6
55.05515	11.1
57.03408	3.2
57.07054	1.6
65.03905	2.1
67.05502	28.5
69.03395	1.1
69.07059	9.1
69.36304	3.8
71.04971	1.7
71.08610	1.0
79.05489	20.3
81.03374	2.3
81.07055	30.8
83.04944	2.5
83.08611	4.7
85.06504	2.4
91.05483	18.2
92.05838	0.7
93.07044	21.9
93.07626	0.8
95.04954	4.6
95.08607	15.7
97.06487	3.1
97.10132	2.6
105.07026	19.0
107.04927	1.7
107.07941	1.1
107.08586	15.1
107.65717	0.7
109.06503	3.6
109.09445	0.8
109.10149	12.2
110.76077	0.8
110.82077	0.8
113.05980	1.2
115.05411	1.2
117.07014	5.7
119.07775	0.8
119.08577	13.4
121.06493	1.3
121.10135	10.2
123.08022	1.5
123.11652	1.9
125.09566	1.2
128.88969	0.7
129.07004	4.0
129.38954	0.8
131.08556	12.4
133.06458	1.0
133.10129	10.7
135.07982	2.5
135.11697	7.1
137.09549	1.2
141.06970	0.9
142.07672	0.8
143.08505	3.5
145.10115	8.7
147.11694	9.8
149.09613	6.1
149.13185	2.7
155.08450	2.0
157.10109	4.2
159.11708	6.7
161.09572	1.8
161.13228	3.7
163.11095	2.6
163.14772	1.5
165.12645	2.9
169.10075	1.2
171.11702	4.4
173.11766	1.5
173.13181	3.9
175.11055	1.8
175.14789	2.3
177.12682	1.2
182.56255	0.8
183.11577	2.6
185.13152	3.4
187.14728	2.7
195.09807	2.9
195.11650	1.9
195.13484	0.9
197.13165	2.2
199.11043	1.4
199.14758	2.7
201.16341	0.9
209.13161	1.6
211.14896	0.9
214.94809	5.0
229.14320	1.0
241.19463	1.3
243.20766	0.8
251.12457	2.2
259.20407	3.5
261.22058	2.7
267.11981	1.1
267.15726	2.6
269.17377	2.5
273.18460	1.0
287.23260	1.0
289.21423	2.9
291.19308	1.9
299.19907	1.1
299.23703	0.9
317.20901	4.9
333.24094	1.6
335.25711	1.4
363.24896	2.6
373.23541	6.3
377.50546	0.9
417.31091	2.2
435.32657	4.8
453.33218	2.5
471.34454	2.2
509.35812	1.3
527.37305	17.8
545.22668	6.2
545.34039	100.0
546.34479	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01842	2.0
55.05509	8.2
56.94766	0.7
57.03408	2.5
60.70557	0.7
65.03923	1.0
66.33467	0.6
67.05170	1.2
67.05497	16.1
69.03424	0.8
69.07065	5.0
69.74154	2.3
71.04988	0.9
71.08606	0.7
79.05488	11.1
81.03414	5.8
81.07053	15.1
83.04929	2.2
83.08602	5.3
85.06493	0.9
87.19374	0.6
91.04967	0.8
91.05471	9.0
93.07035	11.8
95.04963	5.8
95.08034	0.9
95.08597	11.3
97.06494	1.4
97.10159	4.4
98.22736	1.3
99.35322	0.8
105.07008	9.0
107.04897	3.0
107.07923	0.8
107.08575	7.8
109.10130	5.5
111.08054	1.4
117.07014	3.7
118.13104	0.8
119.08549	7.5
121.06438	2.6
121.10137	4.7
123.08003	1.5
123.11649	2.2
125.09602	3.8
129.06927	2.5
131.08554	6.7
133.06470	1.0
133.10109	4.5
135.08029	1.5
135.11670	3.7
137.09494	0.8
141.06912	0.9
143.08507	1.7
145.10110	4.1
147.07996	1.1
147.11688	4.1
149.09560	1.1
149.13161	2.7
155.08531	1.1
157.10060	2.3
159.11676	4.1
161.13136	2.5
163.11082	1.8
163.14758	1.0
169.10037	1.1
171.11620	2.1
173.13133	2.5
175.14749	1.3
183.11583	1.5
185.13213	1.7
187.14772	1.8
189.11082	3.1
193.12131	2.1
194.09596	0.7
199.14680	1.1
209.13121	1.0
227.12772	5.6
243.20932	1.0
247.16763	1.0
261.22116	3.4
267.15860	6.8
275.19617	0.8
278.26822	0.7
279.23029	0.9
285.21942	1.6
287.19901	0.9
301.25201	5.9
303.23062	1.2
317.24634	1.7
335.25714	6.5
359.25595	1.0
404.38855	0.9
421.25415	0.8
425.34003	0.8
435.27011	1.6
435.32217	2.5
453.33896	4.6
471.34204	2.9
527.37189	16.4
528.36865	1.3
545.33911	100.0
546.34344	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	545.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11649	1.7
53.03939	2.5
55.05517	11.2
55.81681	1.7
57.03423	4.8
59.06378	1.7
67.05505	26.2
68.01027	1.7
69.07042	7.0
71.08624	2.1
79.05495	21.8
81.03384	2.8
81.06630	2.3
81.07056	32.3
83.04964	3.7
83.08595	4.3
85.06521	2.1
91.05481	20.8
93.06541	2.0
93.07040	25.0
95.04903	5.2
95.08596	17.0
97.06480	3.4
97.10110	2.9
97.12188	2.4
98.23605	3.5
99.08042	2.0
101.88017	2.1
105.07016	16.4
107.08585	13.4
109.06501	2.2
109.10161	8.6
110.57317	2.1
111.08103	2.6
115.05426	1.9
117.06970	3.3
119.08596	10.7
119.53911	1.9
121.10116	10.9
123.11679	2.1
129.06973	3.8
131.08530	8.6
133.10091	9.9
135.11632	5.0
137.09653	2.0
143.08490	3.6
145.10086	7.2
147.11626	7.5
149.13203	4.3
157.10068	2.7
159.11691	4.0
161.13280	3.2
163.11189	2.3
167.08496	2.5
169.10144	1.9
171.11623	2.5
173.13222	3.9
175.11168	1.9
179.14256	3.5
193.12177	2.7
199.19342	1.9
201.16208	2.0
211.09435	13.3
227.12518	1.8
259.20395	3.2
261.22067	3.8
267.15799	2.0
277.21558	1.9
328.53757	1.9
335.25485	5.7
435.32181	2.6
453.33636	2.9
527.37103	12.7
545.34033	100.0
546.34131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01875	5.9
55.05507	40.1
57.03442	9.5
57.07070	6.9
64.55849	1.8
65.03955	3.2
67.05499	79.0
69.03435	4.9
69.07068	18.1
69.32363	4.1
69.32775	8.1
71.04987	4.5
71.08637	4.8
77.03912	2.9
79.05492	47.1
81.03411	27.8
81.07050	74.6
83.04990	5.8
83.08615	24.7
85.06543	5.0
85.10160	2.4
88.11664	1.9
89.06029	6.8
89.31226	1.8
91.05477	44.8
93.07038	40.8
93.07600	2.9
95.04959	30.5
95.08601	44.9
97.06545	4.9
97.10162	22.8
98.22699	3.4
99.08086	2.5
101.69855	2.1
105.04547	2.4
105.07009	39.5
105.07643	2.8
107.04951	6.6
107.08582	34.2
109.06545	6.4
109.10146	26.7
111.08089	5.5
115.05444	4.4
116.55528	2.0
117.07025	15.7
119.04961	2.4
119.08581	30.2
121.06509	12.4
121.10137	22.2
123.08096	4.8
123.11696	11.4
125.09619	15.9
129.06999	9.5
131.08553	32.8
133.08611	5.4
133.10109	26.7
135.08072	8.8
135.11678	16.6
137.09645	2.9
141.06970	2.2
143.08548	8.9
145.06482	3.0
145.10130	20.2
147.08058	5.0
147.11687	14.7
149.09625	5.4
149.13268	7.3
151.11220	1.9
155.08592	3.8
157.10130	9.8
159.08031	2.0
159.11688	15.5
161.09682	1.9
161.13234	9.3
163.11217	6.2
163.14854	4.0
169.10092	4.2
169.53931	1.8
171.11710	7.9
173.09731	2.6
173.13239	9.6
175.11217	5.9
175.14835	5.3
177.12778	3.3
183.11687	3.5
185.13269	6.2
187.14931	6.5
189.11232	10.7
189.12747	3.3
189.16357	2.9
193.12169	11.0
197.13261	3.3
199.14919	4.0
201.16440	4.6
205.15892	2.3
209.13303	3.4
211.14877	2.0
213.16341	3.3
214.94804	18.1
215.18065	2.5
227.12724	18.5
233.15442	3.7
257.19064	2.0
261.18582	2.4
261.19287	2.6
261.22244	15.9
267.15924	28.5
275.20114	2.4
275.35947	1.9
277.21667	2.8
279.19598	2.2
279.23193	3.4
285.22211	4.0
287.19873	2.0
291.23169	2.8
299.23764	3.5
301.21829	4.1
301.25116	19.7
315.22876	2.1
317.24707	4.1
335.25900	20.5
403.23682	2.7
417.31702	3.8
421.26135	4.3
435.27405	3.4
435.32657	7.5
453.33490	15.1
471.34924	11.9
486.20322	2.2
509.36185	3.7
527.37286	61.4
528.37628	3.6
529.37469	2.2
545.22455	29.4
545.38397	100.0
546.38531	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01860	8.0
55.05259	3.5
55.05510	51.1
57.03438	13.6
57.07056	4.1
59.04996	2.3
65.03946	3.8
67.05503	92.7
69.03421	7.6
69.06717	2.4
69.07067	26.0
69.29065	3.2
69.29469	8.1
71.04977	5.6
71.08611	1.8
79.05489	63.8
79.05949	4.2
81.03414	32.0
81.07056	89.2
83.04977	7.4
83.08620	28.0
85.06531	4.2
86.09784	1.7
91.04943	3.3
91.05479	48.9
91.79686	1.8
93.07043	60.9
95.04974	30.6
95.08601	58.1
97.06516	8.6
97.10173	25.0
98.09660	8.8
98.22713	4.1
99.08111	3.5
103.05509	1.8
104.10761	2.1
105.04525	4.1
105.07034	43.6
107.04956	9.3
107.08588	40.7
109.06509	7.7
109.10150	34.9
111.08093	6.3
115.05450	2.5
116.10744	14.0
117.07012	25.8
119.08582	39.6
121.06502	12.2
121.10139	27.4
123.08053	6.8
123.11673	12.4
125.09633	23.0
129.06989	15.5
131.08557	35.6
133.06480	4.0
133.10114	29.4
135.08080	10.0
135.11673	16.0
137.09653	3.8
137.13266	2.5
141.06932	3.0
142.07808	2.7
143.08554	13.0
145.06491	3.2
145.10127	28.7
147.08047	3.5
147.11673	20.9
149.09619	7.7
149.13252	13.9
151.11229	1.7
153.09039	2.3
155.08577	7.7
157.10106	14.4
159.08087	2.4
159.11684	17.4
161.09650	2.6
161.13246	11.7
163.11165	4.4
163.14813	4.2
165.12744	2.6
168.09396	1.9
169.10149	7.8
171.11681	6.7
173.09651	3.1
173.11806	2.9
173.13213	16.1
175.05032	1.9
175.11205	6.6
175.14810	6.0
177.12720	2.5
181.10184	2.8
183.11691	7.2
185.13290	8.0
187.11284	3.1
187.14821	8.7
189.11198	12.2
189.16409	3.0
193.12207	11.8
197.13242	6.2
199.14784	5.0
201.16353	3.7
211.14789	4.4
213.16441	3.4
215.18028	2.4
219.13702	2.1
227.12772	15.6
233.15344	2.6
243.20982	4.7
247.16978	4.0
249.14658	2.2
259.20535	3.2
261.22180	15.5
267.15887	24.3
279.23260	3.6
283.23956	2.5
285.22067	4.8
299.23746	2.4
300.29227	2.1
301.25223	26.7
303.23260	3.0
304.80011	2.0
313.21649	2.4
335.25836	18.7
357.24222	2.3
359.25815	3.8
417.31207	3.6
421.25919	2.4
435.32620	13.3
451.49213	2.1
453.33661	18.0
471.34818	10.8
509.36246	3.7
527.37238	70.2
528.37775	3.5
542.44281	2.1
545.38263	100.0
546.38464	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38231	2.8
53.03949	3.7
55.01868	5.7
55.05508	45.6
56.96555	6.8
57.03432	13.8
57.60866	2.7
65.03940	4.8
66.49279	2.6
67.05503	82.7
69.03420	4.4
69.07063	23.1
69.87073	7.4
71.04994	3.4
72.09980	2.9
79.05489	59.6
81.03410	28.1
81.07050	69.5
83.04990	8.4
83.08607	24.5
85.06532	3.4
91.05473	47.5
91.05994	4.6
93.07037	52.8
93.07607	3.9
95.04971	28.0
95.08597	53.6
97.06518	7.4
97.08594	2.8
97.10163	20.2
105.04561	3.3
105.07030	39.2
105.07676	4.8
107.04949	9.1
107.08578	30.7
109.06538	6.0
109.10162	33.3
111.08095	6.3
117.07021	15.7
119.08575	32.4
121.06507	9.4
121.10152	22.5
123.08098	4.2
123.11688	12.1
125.09586	20.5
129.07011	12.1
131.08545	30.0
133.10104	20.6
135.08083	10.5
135.11702	13.2
136.93198	4.7
137.09631	4.6
137.13286	3.2
142.07748	3.5
143.08607	11.4
145.06540	3.8
145.10110	18.6
147.08136	5.6
147.11685	20.9
149.09607	4.5
149.13289	7.2
154.94214	13.6
157.10167	10.2
159.11720	18.8
161.09590	3.7
161.13257	11.8
163.11148	4.7
169.10123	5.4
171.11739	9.6
172.95251	26.2
173.13297	12.2
175.11203	4.0
175.14915	4.5
183.11772	8.2
185.13290	8.0
187.13361	4.7
187.14874	5.7
189.11220	13.8
189.12747	5.2
190.96297	11.5
193.12248	12.2
197.13243	4.3
199.14865	4.9
201.16356	3.8
210.97697	12.6
223.15063	3.9
227.12694	15.2
228.97893	13.4
246.98975	4.2
247.17064	5.2
261.22110	18.3
267.15918	25.1
275.20172	4.0
299.23560	4.0
300.63983	3.0
301.25168	16.2
315.23749	3.5
317.17844	19.2
335.18970	7.1
335.25751	21.6
417.31760	5.4
435.32550	10.1
453.17099	10.3
453.33777	23.2
471.18161	17.9
471.34552	15.7
490.36972	3.7
527.37256	64.2
545.21973	11.9
545.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
59.94850	4.1
67.83310	4.4
69.03423	9.8
70.06558	5.5
71.42751	4.7
72.13298	4.3
79.05474	7.8
83.04938	10.3
83.39068	4.2
84.91168	5.7
85.02898	15.7
87.00838	7.1
87.87957	4.1
91.05445	9.1
95.04953	10.8
95.08633	5.3
95.95887	4.5
97.02898	11.1
98.09666	5.3
99.02655	10.8
99.04457	8.6
100.11253	5.4
101.04298	5.3
105.01860	6.3
105.07030	7.4
109.02869	5.8
111.02672	37.8
112.07603	5.9
113.04224	6.3
119.08588	17.0
121.06485	10.3
127.02126	6.5
127.03910	7.7
129.03696	19.0
133.06412	4.8
135.04381	12.8
135.08026	13.1
138.02048	4.2
139.02107	12.6
145.06479	26.2
147.08049	48.2
157.03137	27.8
159.08105	25.4
161.06018	9.1
163.03857	28.6
163.07532	6.5
165.09097	8.3
171.08015	7.9
173.09628	8.0
175.04239	7.5
175.07465	6.2
177.64624	4.3
182.15204	6.2
183.07990	6.5
185.05891	4.5
185.09566	9.4
187.07541	8.8
195.08029	12.7
196.08827	8.9
197.09604	5.7
199.07478	8.3
199.11272	8.4
201.03600	9.0
202.04495	5.7
203.05206	10.7
209.09610	13.6
210.10429	10.8
210.14833	7.1
211.07384	4.6
211.11212	28.3
213.09152	13.4
215.05211	7.1
217.06827	8.8
219.04689	9.2
221.12781	9.2
222.10374	6.1
222.13342	5.8
223.11140	18.3
224.11908	8.4
224.29854	4.5
225.09111	5.0
227.05183	6.9
227.10689	8.9
228.05968	6.9
231.04689	7.0
234.10353	6.3
241.06682	7.0
243.08400	9.5
245.11777	32.5
251.10689	7.6
255.08394	32.8
256.09100	18.4
257.10013	16.0
267.08328	6.7
273.09586	7.1
274.10297	10.9
275.10892	16.5
279.10065	6.2
285.09189	21.9
303.10440	100.0
304.10904	5.9
313.08881	22.6
331.09961	62.7
349.11069	47.1
423.08780	4.8
545.84338	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	546.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97395	0.5
60.64072	0.4
67.09576	0.4
69.03429	0.8
69.17484	2.1
70.06570	0.6
70.55576	0.5
72.63940	0.5
81.03413	0.8
82.40904	0.5
85.02901	1.4
87.00797	0.8
91.05461	3.5
93.07001	0.6
95.04922	0.6
98.09689	0.6
116.10635	0.5
117.06982	3.5
119.08575	10.0
119.23015	0.5
127.03935	0.7
134.07280	1.0
135.07979	0.6
149.09616	100.0
150.09938	1.5
187.11310	0.5
189.09142	0.8
196.07437	0.5
245.15355	4.1
263.16476	2.7
330.64783	0.5
465.70459	0.5
526.97791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.0
55.05492	6.6
62.06094	21.5
67.05496	10.7
69.07067	13.1
71.08631	9.3
76.33136	2.8
79.05498	5.5
81.07047	16.7
83.08626	6.1
91.05462	6.7
93.07050	10.8
95.08601	18.4
95.63374	2.8
97.06510	4.2
98.98467	42.7
99.08097	4.0
105.07056	12.8
107.08604	12.4
109.06518	11.9
109.10178	6.0
119.08605	14.0
121.10168	7.0
122.05991	2.8
123.08054	23.0
131.08572	5.4
133.10114	15.8
135.08038	15.7
143.08492	3.6
145.10124	6.3
147.11678	6.3
149.09671	5.1
161.09653	4.0
165.12788	5.0
173.02170	3.8
174.29483	3.0
175.14783	12.8
177.12782	4.5
179.14296	30.5
193.15959	3.9
205.15913	7.8
216.06381	6.2
273.62216	3.5
275.20062	3.7
289.21570	4.1
303.26978	5.7
331.26251	43.9
349.27188	3.8
374.30637	5.9
387.29019	8.6
405.29993	88.6
406.30316	4.6
485.26563	49.2
494.53296	3.5
503.27667	100.0
528.30652	10.6
546.31824	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	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05508	6.0
57.03432	3.1
57.07062	1.9
62.06067	0.8
67.05499	8.6
69.07064	9.0
69.63052	1.8
69.63448	1.3
71.04984	1.4
71.08634	4.2
77.68932	0.6
79.05488	6.6
81.07048	12.9
83.04966	1.3
83.08611	3.7
85.06512	1.2
91.05478	4.4
93.07027	7.2
95.04942	1.3
95.08600	8.9
97.06517	3.0
97.10176	1.0
98.98488	3.5
99.08096	2.0
104.65063	0.7
105.07030	8.7
107.07911	1.1
107.08580	9.4
109.06511	7.7
109.10136	3.8
111.08083	2.0
117.06971	0.9
119.08577	10.1
121.06409	1.0
121.10120	5.1
123.08053	16.2
123.11687	1.2
125.09627	1.7
129.06975	0.9
131.08546	3.1
133.10103	8.5
133.15598	0.7
135.08046	9.0
135.11673	2.6
137.09653	1.8
137.13245	0.7
145.10156	3.0
147.11691	6.6
149.09596	1.8
149.13249	2.0
151.11165	1.0
151.14879	0.8
155.94838	0.7
157.10178	0.9
159.11708	4.0
161.09581	1.2
161.13263	1.4
164.92159	0.7
167.14305	2.0
171.11766	1.0
173.13254	1.3
175.14815	7.6
177.12750	4.5
179.14288	24.6
191.14406	1.1
193.15916	1.7
205.15831	4.3
216.06479	0.8
221.15312	0.6
222.62897	0.7
263.20078	1.5
275.19922	0.9
289.21603	7.8
293.21161	2.4
303.26859	1.8
319.22656	1.7
331.26324	14.1
337.23703	1.7
347.25867	1.0
349.23575	1.0
349.27368	6.3
357.27884	0.8
361.27475	1.8
369.27905	1.3
374.30505	1.8
375.29034	2.4
387.28897	7.0
405.29959	100.0
406.30176	3.5
485.26666	1.3
503.27692	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	546.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57936	0.3
54.89987	0.3
55.05499	0.5
55.74141	0.3
58.06595	3.1
67.05513	0.7
68.05032	0.4
69.07052	0.6
69.34072	1.6
69.34373	0.3
80.47144	0.3
81.07044	0.8
82.06581	2.3
83.07358	9.2
95.08616	0.4
96.76456	0.3
98.09687	98.5
99.10019	0.4
107.28193	0.3
116.10724	3.7
142.92931	0.3
196.07330	100.0
197.07596	0.9
214.49278	0.3
528.34003	0.8
546.35510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14672	0.3
55.05492	1.2
55.52471	0.3
57.05811	0.4
58.06591	4.2
67.04245	0.4
67.05491	0.9
69.07054	0.6
69.42004	1.4
79.05476	0.5
81.07042	1.0
82.06583	3.1
83.07355	11.8
88.07621	1.9
92.49049	0.3
93.07066	0.5
95.08601	0.7
98.09683	88.5
99.10017	0.9
116.10720	100.0
117.11050	1.0
139.39088	0.3
196.07323	55.7
270.10931	0.7
351.28799	0.6
403.15451	0.4
436.77176	0.4
528.34393	4.5
529.35138	0.4
546.35474	18.8
547.35657	0.6
552.21643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35884	2.3
55.05508	8.2
57.03421	2.8
57.07071	3.7
58.06586	2.1
61.02909	5.4
66.82767	2.0
67.05158	3.5
67.05496	42.1
68.33868	2.3
69.07059	9.9
70.29750	4.8
74.42751	2.1
79.05484	26.8
80.05825	2.3
81.07050	58.4
83.08617	3.2
85.02895	7.0
85.06505	2.6
86.09688	8.8
91.03941	4.1
91.05455	15.5
93.07039	30.8
94.26444	2.5
95.04939	3.6
95.08026	3.4
95.08600	44.5
97.02908	4.3
97.06522	4.1
98.09702	5.8
99.08097	2.3
105.07011	9.8
107.08593	26.2
109.10152	30.8
116.10748	3.1
116.56559	2.2
117.07012	5.2
119.08569	8.5
121.10128	30.6
123.11710	14.3
124.99991	5.9
131.08534	16.8
133.10100	10.3
135.11676	23.6
136.93112	2.7
137.13255	6.0
145.10103	10.8
147.11659	8.1
149.13243	20.4
159.11649	11.1
161.13217	8.3
163.14760	13.6
172.95245	3.7
173.13248	15.4
175.14882	3.0
177.16367	6.0
179.14243	5.2
184.07312	26.8
187.14798	7.5
196.07288	3.2
196.79509	2.5
200.07951	2.6
201.09056	6.0
201.16417	3.7
202.09457	5.3
210.97517	2.8
212.08313	3.1
213.08783	3.0
225.09070	4.5
227.07094	3.1
229.08589	8.3
230.08852	4.9
233.22623	3.2
243.21042	26.6
261.22125	100.0
261.24933	4.9
262.22250	2.3
266.00247	2.6
279.23160	5.9
335.25861	23.3
353.26898	27.5
382.11395	3.9
396.12961	3.3
399.32452	2.3
422.13736	2.4
424.12531	5.1
426.29828	2.2
436.16220	5.0
454.17215	3.8
472.18234	4.1
482.16629	10.1
514.19519	15.0
546.22162	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.7
57.07092	3.7
61.02918	7.0
64.35683	2.9
67.05499	35.9
67.70750	2.9
69.07064	10.0
79.05495	27.2
79.66901	2.7
81.07051	43.8
83.08595	10.4
85.02881	7.7
86.09708	4.9
89.06025	4.1
91.03944	4.6
91.05475	16.1
93.07042	28.6
95.08605	38.5
97.02869	3.5
99.05586	3.0
100.11264	11.5
104.10728	10.7
105.07054	7.2
107.08595	22.6
109.02876	4.6
109.10143	25.3
117.06992	10.1
119.04160	3.0
119.08595	11.0
121.06450	3.0
121.10138	29.0
123.08054	4.1
123.11671	15.2
130.12294	3.5
131.08554	10.5
133.10115	9.4
135.11691	24.4
137.09644	3.1
137.13335	4.9
145.10109	11.5
146.51170	2.7
147.11644	9.6
149.13246	19.6
159.11687	13.3
161.13266	8.5
163.14841	8.1
173.13258	12.7
175.14694	2.8
177.16354	6.1
179.14319	4.2
184.07333	9.1
187.14784	7.4
243.21077	40.0
261.22134	100.0
279.64102	3.6
335.25934	15.3
353.26749	32.0
546.22211	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	547.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78336	5.4
56.96565	7.2
62.80885	5.7
67.05518	6.2
69.22911	34.8
75.30783	5.5
78.74000	4.6
98.23472	8.5
98.97582	9.5
117.54566	5.1
162.27827	5.0
168.95204	5.7
178.74242	5.0
267.04102	7.4
299.12460	11.9
307.08499	9.3
317.07013	13.7
443.10211	6.5
461.11111	18.6
479.11945	8.7
503.12100	29.4
503.19473	48.4
529.15930	24.3
547.11743	88.8
547.17773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62165	2.1
56.96541	2.8
59.94112	1.9
69.03398	2.5
70.61753	4.3
73.87161	2.0
79.05413	2.1
81.03400	2.8
84.32951	2.0
85.02854	5.7
86.20087	1.9
87.00781	2.1
98.97514	3.6
105.06981	2.3
109.02845	3.6
116.98553	2.7
123.22893	2.2
127.03846	4.5
135.04320	3.1
135.10446	1.9
145.06381	2.7
151.03799	3.4
163.07448	4.4
163.52939	2.5
169.04796	2.6
177.05371	4.4
191.06996	20.1
198.63493	2.6
215.90007	2.2
289.07260	3.8
299.06351	3.7
299.12598	11.4
307.08264	3.9
317.06876	2.9
351.06879	2.9
359.07678	3.3
363.23401	2.2
392.27921	2.3
401.08472	2.4
428.58075	2.5
461.11020	3.2
461.17288	5.4
503.12350	16.5
503.19266	23.9
547.11298	100.0
547.17676	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	547.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66835	1.3
59.04993	3.0
62.26408	1.3
67.05506	1.3
69.03397	1.8
70.06563	2.1
73.02916	8.7
77.00593	3.0
81.03422	2.1
82.06564	4.1
83.04961	2.4
84.04446	1.7
84.08128	2.2
85.02882	4.4
87.00786	1.5
95.04932	1.4
97.02881	1.9
98.06037	2.0
99.04446	1.7
108.04452	3.0
110.06035	9.3
119.01627	12.6
119.08541	2.0
123.32280	1.4
126.05494	7.8
127.03860	1.8
135.08006	1.8
147.07999	1.9
151.07492	2.3
152.07884	1.8
154.04907	4.4
159.07993	2.4
163.03998	1.7
172.06046	3.4
174.97920	1.6
179.06970	1.7
189.12610	1.7
240.43254	1.3
245.11681	5.8
246.11974	3.3
258.05826	98.4
259.06033	4.4
259.95035	1.3
271.06421	1.5
277.24963	1.6
284.07370	23.9
285.07767	2.0
299.08771	4.9
303.66141	1.5
304.04553	3.4
340.90405	1.6
376.06699	100.0
377.06924	4.6
461.13928	1.5
503.13907	17.5
529.10413	7.2
547.12073	68.3
548.12555	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83707	0.4
61.02922	0.5
64.01208	0.3
69.03443	0.3
73.02901	0.4
73.68012	0.3
85.02937	0.4
97.02885	0.5
121.98034	0.3
133.63333	0.3
185.04222	1.3
201.03685	0.5
203.05258	4.1
205.04764	0.6
223.05795	1.0
245.04959	0.5
280.31006	0.4
285.09521	1.0
305.08441	0.6
347.09433	1.8
364.10080	0.4
365.10541	12.2
367.09940	0.6
385.06049	0.6
385.11041	10.6
432.50793	0.3
434.32050	0.4
447.14633	1.9
547.16321	100.0
548.16711	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98811	0.4
68.25552	0.3
69.03399	0.6
69.97310	0.4
69.97634	0.7
75.29725	0.3
84.08117	0.4
85.02927	0.8
91.04017	0.4
91.05502	0.6
117.37674	0.5
129.44270	0.4
135.46416	0.3
140.98602	0.4
143.01981	0.4
147.04411	1.2
155.01950	0.4
157.03563	0.4
161.02985	0.5
161.22491	0.3
173.02971	0.4
185.04230	1.4
187.03578	0.8
197.03027	0.5
199.75465	0.4
203.05260	11.5
205.04742	3.9
245.05022	5.0
247.04424	0.9
263.06372	0.6
265.05548	1.0
283.06589	0.5
305.07214	0.7
347.09332	0.4
365.10495	1.9
367.09988	5.5
379.28412	0.4
385.11130	1.2
547.16290	100.0
548.16681	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	547.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51514	1.5
56.96571	1.9
69.03452	1.5
69.56335	1.1
71.78178	1.3
85.02897	2.5
105.07038	1.2
119.08553	1.8
123.78866	1.4
128.06255	1.3
159.08032	1.2
163.07549	2.3
191.07047	2.0
223.11150	1.4
224.11674	1.5
226.09883	4.2
241.12247	4.8
267.02963	1.4
281.11462	4.2
299.12561	9.2
317.06412	1.6
335.08560	1.7
359.08252	1.4
369.07782	1.7
408.67172	1.6
443.16400	2.4
461.17584	17.2
485.17859	2.6
503.18839	72.2
504.19162	3.1
529.14166	5.7
547.11267	23.9
547.17719	100.0
548.18170	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	547.1788
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
50.62555	1.1
52.91963	1.0
56.72748	1.0
57.03498	1.0
63.93410	0.9
65.02141	1.0
69.38577	4.6
72.08149	1.3
74.72331	1.1
83.50922	1.1
86.09717	1.6
86.86015	1.1
94.24361	1.3
98.22754	2.4
98.97581	9.1
103.89492	1.1
111.69405	1.1
116.98622	2.1
158.99644	1.7
200.37460	1.2
241.07538	3.4
251.37784	1.0
259.08600	2.7
283.08551	3.6
286.77881	1.2
293.34647	1.5
300.35815	1.3
309.07291	1.4
315.09918	1.1
369.15332	1.4
383.62454	1.5
385.12473	65.5
386.12952	2.0
547.17841	100.0
548.18030	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64366	16.1
86.09681	42.2
87.10032	8.1
91.78701	8.4
98.22917	8.8
101.27824	7.8
105.07009	16.3
111.18103	8.7
125.00021	13.4
132.65442	7.7
161.09561	54.8
184.07310	100.0
185.07709	23.5
241.12164	12.3
243.07175	10.1
377.20789	8.6
378.00552	8.4
418.01813	9.1
548.19427	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29786	3.0
51.80748	2.7
54.06804	3.1
57.03442	23.6
61.02917	28.8
69.03423	38.7
71.01355	5.2
73.02914	63.8
81.03397	7.3
85.02896	100.0
87.04473	5.3
91.03938	23.7
97.02890	73.7
99.04462	4.9
109.02856	5.9
115.03916	48.4
117.69250	3.2
127.03911	32.7
133.04956	16.6
145.04942	60.5
163.03876	10.8
163.06024	58.0
217.32938	3.1
223.06195	6.6
237.13229	6.4
241.07047	6.5
250.05330	3.7
259.08231	8.1
295.10272	17.3
297.79837	3.7
408.88992	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	548.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74676	0.6
55.05480	1.3
56.05022	1.8
57.03431	0.8
58.06593	1.7
60.08157	17.6
67.05508	3.0
69.07069	1.7
71.07368	8.4
79.05486	1.7
81.07054	3.3
83.08623	0.9
86.09700	54.5
91.05445	0.7
93.07043	1.3
95.08615	3.6
98.23542	1.4
98.98462	5.2
100.14703	0.7
104.10736	99.3
105.07003	0.9
107.08575	0.8
109.10166	0.8
119.08572	0.7
121.10104	1.0
124.99994	30.0
150.44170	0.6
163.01482	0.7
184.07329	100.0
246.12405	0.7
276.51718	0.8
338.65836	0.7
388.61469	0.6
474.20514	1.4
530.36060	7.0
548.37018	26.7
549.38000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.6
53.60715	3.9
55.05503	27.7
57.03434	4.1
57.07079	8.7
60.08161	4.8
61.02922	6.3
67.05151	7.1
67.05496	64.9
69.07067	38.7
69.58739	6.7
69.59134	10.5
71.08617	6.6
79.05487	18.9
81.07045	95.8
83.04966	3.9
83.07352	5.6
83.08616	25.3
85.02943	4.9
86.09689	19.7
91.05472	15.2
93.07037	27.5
95.04892	4.3
95.08597	100.0
97.02863	3.5
97.06507	5.4
97.10159	18.0
98.09677	64.9
100.11256	20.9
104.10760	29.1
105.07027	12.8
107.08589	19.1
109.10142	45.6
111.11721	7.1
113.09582	4.3
116.10736	10.2
119.08559	10.6
121.10120	19.0
123.11703	20.9
124.99109	3.5
124.99995	12.8
133.10143	10.6
135.11696	16.7
135.76193	3.6
137.13251	9.2
147.11687	13.3
149.13249	11.5
161.13211	12.0
163.14807	11.8
165.16411	6.9
175.14760	7.4
177.16318	7.8
179.17955	6.2
184.07376	35.4
189.16376	5.8
193.19470	5.8
196.07323	70.8
259.24219	43.0
261.66550	4.2
277.25226	69.1
351.28931	57.3
548.37305	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	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.9
57.03431	7.3
57.07068	10.4
61.02917	6.2
64.74850	4.0
67.05497	56.4
69.07071	27.2
69.56706	3.8
71.08622	5.9
79.05479	15.6
81.07054	100.0
83.04972	8.4
83.08625	18.3
85.02892	4.5
87.04456	6.1
90.65174	3.6
91.03967	4.3
91.05483	7.6
93.07043	18.1
95.08601	73.4
97.06547	5.9
97.10161	10.9
98.09681	45.8
100.11221	8.7
104.16834	3.7
105.07031	10.9
107.08601	19.2
109.10142	36.6
116.10686	19.5
119.08582	12.8
121.10166	16.5
123.11709	17.0
133.10056	8.9
135.11681	15.4
137.13239	10.0
147.11673	11.2
149.13217	6.8
151.14807	6.8
161.13213	7.2
162.64159	3.7
163.14793	6.4
165.16396	4.7
175.14772	7.2
177.16385	8.4
179.17958	6.4
184.07324	5.3
196.07358	58.9
259.24176	44.0
277.25253	61.8
351.28992	32.4
548.37042	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	549.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01871	0.5
56.15181	0.3
63.02382	1.0
65.03939	6.1
67.05494	2.3
69.03417	0.6
69.07062	0.4
69.19211	1.8
70.06596	0.5
78.04720	1.0
82.04200	2.1
85.02898	4.1
89.03912	13.7
91.05481	1.0
93.03397	1.0
93.07047	0.4
95.04970	1.1
97.06548	1.9
100.44518	0.4
103.05492	0.9
105.04532	0.5
106.04155	1.2
108.02110	1.4
109.02902	0.8
110.03653	2.8
111.04432	1.1
117.03371	32.3
118.03707	0.4
119.04961	0.4
119.08609	0.3
122.34173	0.3
123.00778	0.7
125.05991	1.5
127.03909	0.4
134.03612	2.8
135.04411	2.6
138.03079	2.0
140.04663	0.6
142.02547	0.6
145.02840	58.1
146.03162	0.8
147.04399	1.2
149.05966	8.7
153.05469	2.3
156.13274	0.3
163.03899	4.1
163.11134	0.4
164.67819	0.3
171.06522	5.1
177.05457	100.0
178.05795	1.2
181.04942	81.5
182.05327	1.2
186.05542	0.8
301.21649	0.5
360.94659	0.4
373.07483	1.4
411.08826	0.6
438.09650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1373
Annotation	Chinexanthone A
Peak:m/z	Relative Intensity
51.13670	1.4
56.96559	2.3
67.56465	1.2
82.27637	1.3
85.02909	1.6
117.03353	1.9
143.66296	1.4
151.03889	1.7
152.03081	1.6
152.04224	2.2
163.03915	1.5
167.71072	1.4
177.05405	2.0
181.04999	2.6
223.33342	1.4
301.07684	2.7
319.08508	1.9
361.18057	2.1
420.14410	3.3
421.81519	1.4
463.13403	2.9
505.14713	39.8
506.15152	1.9
549.13574	100.0
550.13953	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	549.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67832	0.4
67.88557	0.5
69.36477	2.1
76.91375	0.5
81.03376	0.6
85.02921	1.1
86.39751	0.5
91.03967	0.6
96.13577	0.5
121.33396	0.5
151.44455	0.5
167.07071	0.6
185.04298	1.3
189.05202	1.2
203.05235	5.0
207.06235	3.1
226.59137	0.5
269.09839	0.6
305.08423	0.8
323.14420	0.5
344.65106	0.5
347.09509	3.0
365.10507	30.3
366.10922	0.7
387.12592	11.3
395.20737	0.7
431.15433	1.9
549.17834	100.0
550.18396	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	549.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02840	0.5
61.64220	0.6
67.02076	0.5
69.20638	3.6
69.46062	0.5
70.06567	0.6
71.27451	0.5
72.44131	0.6
83.04987	0.7
83.59151	0.6
85.02907	0.5
98.23515	1.1
119.93946	0.6
149.09624	1.0
191.19644	0.6
215.31854	0.6
283.13068	0.9
301.14063	8.4
329.13638	2.4
343.15109	1.1
344.77463	0.5
398.24823	0.6
445.18402	1.3
463.19318	19.6
464.19452	1.0
487.19110	1.0
505.20392	59.7
506.20724	2.9
549.19379	100.0
550.20013	4.0
563.65271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3061
Annotation	Paliurine E
Peak:m/z	Relative Intensity
50.94769	3.8
52.79272	3.6
55.01880	4.2
55.05513	15.4
67.05505	21.7
69.03442	12.6
69.07062	14.7
79.05504	16.6
79.27335	3.7
81.07054	35.2
85.02899	6.5
91.05460	24.8
93.07043	42.6
95.04962	6.3
95.08610	66.7
105.07027	63.9
107.08584	53.1
109.02873	6.3
109.06546	10.8
109.10162	24.0
117.07058	7.3
119.08576	62.1
120.08101	5.4
121.06519	11.9
121.10139	35.6
123.08073	11.1
125.09623	5.9
127.03931	5.2
129.07014	9.6
131.08536	39.2
133.10121	41.6
135.08087	4.7
135.11707	13.1
139.11183	8.3
142.07808	7.4
143.08539	29.1
145.10112	52.8
147.08052	6.6
147.11693	34.2
149.06070	5.5
149.13295	14.3
155.08530	67.9
155.09644	7.3
156.09349	8.2
157.10106	49.0
159.08067	4.7
159.11679	46.9
161.09743	5.4
161.13211	27.7
163.07556	4.3
163.14751	9.7
165.09166	5.1
167.08566	11.5
168.09384	9.1
168.33147	4.1
169.10135	44.7
171.08092	6.6
171.11696	39.2
173.09639	9.9
173.13235	35.0
175.14822	12.1
177.09088	6.1
177.12790	9.1
179.08517	8.8
180.09373	5.5
181.10133	15.0
183.11678	38.8
185.09612	8.2
185.13252	28.3
187.11221	9.9
187.14774	31.4
189.12717	7.7
189.16383	15.6
191.10664	10.1
193.10222	10.5
193.12158	8.2
194.11035	5.4
195.11722	21.7
195.13690	4.7
197.13260	28.2
199.07735	5.2
199.14835	19.9
201.09196	5.6
201.12805	7.7
201.16483	6.5
205.12250	4.6
207.11743	19.5
207.13721	8.7
209.13229	27.2
211.14792	12.4
215.10680	6.7
215.14243	8.0
219.11804	7.0
219.13754	5.6
221.13304	17.8
223.14859	7.2
224.85791	4.8
225.16399	6.2
227.17975	6.9
229.12326	10.9
231.13828	9.6
233.13338	6.1
233.15437	17.9
235.14870	10.1
235.16887	9.4
237.16368	12.2
243.13867	13.0
245.15390	12.5
247.14902	5.7
247.17087	5.3
251.18034	8.1
255.13748	13.0
257.15421	6.9
261.16415	11.7
263.12817	6.5
263.18011	11.7
281.15268	9.4
283.17038	6.3
297.18582	5.0
301.14233	6.1
307.15887	5.4
309.18585	7.3
335.19992	8.9
357.25897	11.8
367.19223	7.1
375.26755	15.6
383.22247	5.1
385.25052	12.2
403.26425	46.6
405.27930	14.5
421.27512	31.1
431.25757	19.9
433.27383	5.6
449.26758	74.6
451.28400	11.5
463.19122	8.6
467.27911	100.0
468.28412	5.7
477.26364	33.7
484.05569	6.0
485.28973	60.1
495.27631	29.8
505.14426	10.5
505.20862	14.4
513.28577	31.7
531.12140	6.2
549.13635	33.0
549.21057	30.4
549.39642	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	550.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01867	6.1
57.03437	5.3
61.02916	7.6
68.99769	2.9
69.03424	36.5
69.84081	0.7
71.01353	1.5
71.04987	4.3
73.02906	6.5
81.03410	21.8
83.04972	1.6
84.38528	0.7
85.02898	100.0
85.82967	0.7
86.03232	1.2
87.00824	47.4
87.04443	1.3
88.82441	0.7
91.03943	1.6
95.04964	1.0
97.02888	37.2
98.23512	1.7
99.04443	11.6
101.02377	1.1
102.17387	0.7
103.03932	0.8
105.01859	81.0
105.07009	6.0
108.74035	0.8
109.02869	29.6
111.04454	1.0
115.03896	1.2
117.01848	1.4
127.03909	78.0
129.01846	3.4
133.06485	0.9
145.04950	29.1
147.02850	1.8
159.02867	11.1
163.03951	0.9
171.02788	0.9
181.04869	1.3
185.09563	0.8
189.03922	4.6
213.03882	5.8
213.09087	6.8
231.04980	33.3
231.10066	1.2
249.06052	10.8
253.06998	0.9
317.10483	0.9
326.39731	0.7
335.11282	3.1
357.07852	0.9
458.05627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01855	1.1
55.05507	0.9
57.03436	7.2
61.02916	1.4
63.52874	0.7
67.05504	1.7
69.03425	7.3
69.07043	1.0
70.06580	6.2
70.51011	1.5
71.04964	1.3
75.04478	13.0
79.05489	9.1
81.03397	1.1
81.07053	6.7
83.04961	0.9
85.02905	11.6
87.04473	1.9
91.05472	10.3
93.07042	89.0
94.07349	1.2
95.01324	8.9
95.04959	3.9
95.08588	6.9
97.02890	17.7
97.06528	1.3
99.04420	1.1
103.05458	1.3
105.01865	1.0
105.04519	1.9
105.07030	8.3
107.04938	1.9
107.08575	4.2
109.02874	0.8
109.06451	0.8
111.08082	11.2
112.07567	1.5
113.02360	10.6
117.03359	1.2
119.08588	3.8
121.10141	86.2
122.10495	1.4
123.00784	14.8
123.08067	1.9
123.11674	2.4
125.02328	3.0
125.05968	1.5
127.03919	2.7
131.08592	2.8
133.07625	1.2
135.04396	0.8
139.11165	12.8
141.00795	1.3
141.01828	14.4
143.03400	7.3
143.08487	0.8
145.02843	1.5
145.04951	2.2
146.03201	0.9
147.08052	1.3
149.09610	19.1
163.03943	0.8
167.10672	100.0
168.10980	2.0
169.01321	10.4
175.07440	0.8
175.14787	1.2
177.05473	2.5
178.05850	1.3
181.04959	2.1
181.09949	0.8
187.02394	4.0
189.05386	0.9
197.09578	1.4
199.11101	0.9
215.10652	1.0
225.09109	1.2
227.10770	1.0
243.10136	2.3
245.11765	1.1
261.11224	1.5
271.09839	0.7
272.62958	0.8
289.10739	3.4
293.13831	0.9
296.42389	0.7
303.04758	0.9
307.11826	2.1
311.14893	1.3
317.10257	0.9
335.11157	3.3
353.12381	3.7
378.22717	1.1
388.23337	3.2
394.22165	1.5
538.88123	0.8
550.18964	1.4
550.34998	1.8
551.17230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01862	3.0
55.05504	2.3
57.03436	10.7
59.04988	0.9
61.02923	3.7
68.99782	3.0
69.03427	14.8
71.01344	1.1
71.04988	53.6
73.02902	3.7
75.04471	1.9
81.03411	14.7
83.04984	10.4
85.02901	100.0
87.00830	13.7
87.04487	1.0
93.07047	1.5
95.04962	2.5
96.18504	0.9
97.02884	11.9
99.04459	5.7
103.03937	6.7
103.05461	1.0
104.65889	0.9
105.01859	18.1
105.07053	1.2
109.02868	14.3
111.04434	14.3
113.05996	1.0
117.07017	1.3
121.06500	10.8
123.04404	1.2
123.08069	1.0
125.02345	1.5
127.03901	28.8
129.01781	1.7
129.05473	20.8
135.04399	1.7
135.08034	1.7
145.04958	7.7
145.06500	6.5
147.02927	1.4
147.06528	7.4
149.06013	1.2
151.07567	1.0
159.02919	2.8
159.07994	2.3
163.07541	4.6
164.09157	3.2
165.17657	0.9
166.72202	1.2
169.06502	1.2
171.02913	1.5
173.04488	1.6
173.05925	2.6
175.07526	1.3
183.08057	1.9
187.07489	8.4
189.03952	11.5
191.06996	1.7
193.05055	1.1
201.08990	1.5
205.08611	9.0
207.13770	2.3
208.14145	2.3
211.07578	2.0
213.03951	4.3
219.06468	1.6
220.27901	1.0
229.08607	10.2
231.04953	8.9
231.10220	1.5
237.07581	7.0
239.08920	1.1
247.09644	6.2
249.06027	1.9
255.08543	1.9
263.62769	1.1
267.12177	1.7
273.06021	1.4
292.69537	1.1
301.07068	1.5
302.07321	1.7
315.10843	2.1
333.09598	3.7
336.52283	1.0
341.08786	4.9
351.10675	1.1
351.21240	1.1
359.09720	3.5
369.11572	3.3
377.10751	1.4
403.75519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52629	1.3
66.63124	1.3
66.69168	1.4
70.06609	2.0
71.42303	1.4
77.27224	1.5
82.36174	1.4
95.01104	2.3
149.09616	3.4
185.04240	1.9
187.83566	1.4
227.05206	1.8
241.10646	1.5
243.04723	1.8
303.15714	5.2
331.15125	2.2
338.77588	1.5
447.20078	1.4
465.20926	16.4
507.22028	48.7
522.78107	1.6
536.77972	2.5
551.20978	100.0
552.21375	5.5
571.60278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55660	0.8
76.15380	0.8
78.62443	0.9
85.02905	1.4
86.09698	100.0
87.10050	1.1
114.55374	0.7
120.08073	0.9
132.10191	57.7
142.36453	0.7
143.11787	47.5
144.12202	0.9
149.29863	0.7
163.03946	2.9
171.11285	6.6
181.04985	2.7
189.12321	83.9
190.12576	1.6
204.72052	0.7
215.76266	0.8
283.36011	0.7
294.01904	0.8
355.51407	0.7
551.17572	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	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
56.59104	0.4
60.63175	0.4
61.54728	0.4
69.64932	0.3
69.68448	1.0
69.68812	0.7
74.15227	0.4
74.73521	0.3
85.48661	0.4
88.44073	0.3
103.63763	0.3
121.58920	0.4
149.02332	0.5
149.38010	0.3
158.09390	0.3
229.08560	0.4
259.07947	0.6
389.22928	3.0
443.85861	0.4
551.28229	100.0
552.28546	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	551.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44988	1.8
53.03945	9.8
55.01866	12.3
55.05503	17.8
57.03431	7.3
57.07088	1.5
57.48415	1.5
61.02919	6.5
65.03951	2.2
67.05493	13.4
68.99790	5.7
69.03421	35.0
69.07058	20.1
69.29790	7.2
71.01344	1.8
71.04982	4.6
73.02913	6.5
79.05480	9.9
81.03410	43.0
81.07049	25.1
83.04974	2.7
83.08611	8.9
85.02897	67.3
87.00821	39.1
87.01324	2.5
88.01261	1.5
89.65653	1.4
90.85277	1.3
91.03931	1.3
91.05472	9.6
93.07040	18.6
95.04938	3.9
95.08597	25.3
97.02885	31.0
97.06541	4.0
97.10155	10.9
99.04454	14.9
101.02405	1.9
103.03926	1.9
103.05417	1.5
105.01857	22.9
105.07014	22.8
107.04948	2.0
107.08576	22.2
108.04491	1.7
109.02867	37.9
109.06517	4.2
109.10159	21.8
109.68882	1.7
111.04397	3.4
111.11716	5.9
115.03941	5.7
117.01836	5.1
117.07020	5.1
119.06008	1.4
119.08570	34.7
121.06496	4.0
121.10136	22.4
123.04413	1.6
123.08065	3.3
123.11697	16.8
127.03902	49.2
127.04841	2.4
129.01840	5.9
129.06995	2.8
131.08549	15.1
133.10121	25.3
135.08023	2.7
135.11687	16.1
137.05980	2.3
137.13232	4.6
139.07510	2.2
143.08568	5.8
144.09335	2.1
145.02821	1.9
145.04941	17.0
145.10091	21.4
147.02893	3.2
147.11671	39.8
149.13252	14.8
155.08603	2.3
156.09305	1.9
157.10080	10.8
158.10938	3.6
159.02859	17.1
159.11678	44.3
161.09612	3.6
161.13239	45.3
161.14517	2.9
163.07538	2.5
163.14839	8.9
167.03445	3.9
167.10690	2.1
169.10114	3.4
171.11647	10.2
173.09792	2.1
173.13240	37.8
174.49791	1.6
175.11177	1.7
175.14816	16.4
177.05437	1.7
177.12703	1.8
177.16315	2.5
179.10597	2.3
183.11687	4.6
184.07419	2.1
185.04428	2.7
185.13264	6.6
187.14806	32.9
189.03944	3.2
189.16351	3.8
193.12207	15.4
195.11673	2.6
197.13290	3.5
199.14690	8.2
201.16344	13.8
203.17909	1.7
205.12256	15.3
207.13786	16.1
211.14809	3.4
213.03970	1.8
213.16405	6.0
215.18025	2.8
217.19545	3.4
219.04993	1.6
219.13763	14.6
221.15312	3.8
223.72208	1.8
225.16330	3.1
227.17964	6.2
229.19476	8.4
231.04898	9.5
233.15361	6.0
239.17795	2.2
241.19487	4.2
243.21043	5.9
247.16852	2.6
255.21066	5.9
257.22617	55.8
267.21100	4.5
269.22604	5.1
273.18600	2.8
275.20126	3.9
275.23651	4.2
281.22687	3.0
285.22119	7.3
289.21884	2.9
299.23682	2.0
301.21548	4.8
303.10953	2.1
303.23163	100.0
304.23499	2.9
313.21536	3.3
315.23181	3.7
327.23441	2.8
339.23251	1.9
347.23709	3.1
365.24762	7.8
383.25754	2.1
393.24268	3.3
411.25198	5.8
469.25452	4.5
487.26614	9.7
489.28690	2.0
505.27905	45.0
506.28082	1.9
515.26324	5.1
530.08844	1.8
533.27216	6.7
551.17566	2.4
551.29095	7.7
551.36499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.3
55.01865	11.6
55.05501	16.8
57.03439	6.9
61.02919	5.0
63.26352	2.5
63.34206	2.0
67.05502	11.2
68.99782	5.2
69.03423	31.6
69.07063	17.0
70.63277	3.4
71.05013	6.2
73.02922	9.0
79.05502	7.5
81.03413	39.8
81.07053	19.1
83.04976	3.8
83.08624	7.1
85.02898	69.5
87.00826	31.6
87.04472	2.8
91.03988	2.3
91.05492	6.9
93.07020	12.9
95.04985	4.1
95.08599	23.9
97.02881	27.0
97.03394	2.4
97.06542	2.7
97.10175	8.5
99.04435	15.5
103.03950	3.2
103.96225	2.1
105.01852	20.6
105.07025	20.5
107.04916	3.0
107.08601	19.1
109.02872	29.3
109.03555	2.9
109.10136	16.5
111.04475	3.1
111.11713	3.9
115.03947	5.2
115.60858	1.9
117.01861	4.1
117.07046	3.0
119.08578	24.1
121.06532	2.6
121.10153	19.7
121.45070	2.0
123.04420	2.6
123.11674	14.2
127.03905	50.4
129.01866	7.6
129.07072	2.3
131.08539	12.1
133.10114	17.1
135.11707	7.9
137.02344	2.7
137.06009	4.1
137.09674	3.7
137.13266	3.3
139.07596	2.4
142.07814	2.6
143.08562	3.8
144.09369	2.0
145.04915	19.2
145.10077	20.8
147.02837	3.7
147.08051	2.4
147.11676	32.9
149.13235	10.4
157.10150	6.4
158.10919	3.0
159.02870	23.6
159.11688	51.9
161.13246	40.5
161.14508	2.7
163.07588	2.4
163.14873	6.0
167.08601	2.0
167.10596	2.8
169.10220	5.5
171.11734	7.3
173.13242	34.1
175.14821	13.6
175.89809	2.2
177.05537	3.2
177.12767	2.3
177.16360	2.4
183.11659	2.5
185.13301	7.6
187.14795	26.3
189.03976	4.7
189.16415	4.2
193.12207	11.8
197.13281	3.4
199.14836	5.5
201.16359	13.8
205.12270	13.3
207.12102	2.8
207.13733	14.1
211.00325	2.1
211.14816	4.6
213.03934	3.2
213.16368	5.3
215.18071	3.8
217.19495	3.0
219.13792	14.4
221.15459	4.6
223.14644	2.7
227.17926	4.6
229.19547	9.3
231.05042	8.9
233.15230	3.1
241.19431	4.9
243.20967	4.4
247.17027	3.5
255.21071	5.5
257.22629	44.5
267.21164	4.5
269.22751	3.0
275.20071	4.1
285.22073	5.9
289.21722	2.8
299.23666	2.9
301.21591	8.5
303.23129	100.0
313.21399	3.8
315.23270	5.6
347.23688	2.7
365.24759	3.8
383.25854	3.3
393.24289	5.6
411.25311	4.7
469.25836	3.5
487.26758	7.3
505.27933	51.3
506.28717	3.2
515.25995	3.8
533.27594	5.9
551.28320	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	552.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.9
69.03429	3.7
69.12682	12.6
76.02247	3.3
79.05482	5.0
80.32520	1.5
81.07050	3.5
83.06137	2.8
84.04503	3.0
85.02870	2.3
89.84068	1.5
91.05470	6.8
91.93318	1.5
93.47785	2.0
95.04965	4.0
97.02865	1.5
98.23445	3.4
100.11246	6.6
103.05448	5.7
105.07005	6.7
106.96479	1.6
107.08585	7.8
109.02871	15.6
109.06498	4.2
109.07568	1.6
111.04417	8.7
115.05459	4.2
117.07000	6.9
117.15861	1.6
119.04892	2.2
121.06476	1.9
122.03638	1.7
125.58308	1.5
129.06956	3.3
131.04895	8.8
133.06497	2.4
135.04413	4.8
135.08049	21.2
137.05972	61.8
143.08519	2.1
145.06409	3.6
147.04379	2.2
149.04141	1.6
149.05956	2.5
151.03874	6.7
151.07578	2.1
155.04910	7.9
157.06474	3.2
160.05098	1.7
161.05960	4.0
163.03940	9.7
163.07523	67.3
164.04251	2.8
165.03703	3.5
165.07088	2.4
172.05208	2.2
173.05901	4.4
173.36687	2.2
175.07565	2.7
179.04890	3.7
180.06567	1.7
181.04907	3.6
182.15346	2.2
183.04427	8.0
186.03093	3.6
187.07541	4.7
189.05432	5.4
192.04793	3.1
193.05463	2.0
194.07278	2.0
199.11264	2.5
200.04680	8.8
201.05472	10.0
203.06970	2.5
205.06459	8.6
207.06442	3.7
210.14902	2.0
215.04944	2.2
215.07007	35.0
222.06764	5.4
227.07083	1.9
227.10667	27.0
233.05916	18.0
233.08086	35.3
234.06686	4.4
237.09123	12.3
245.11713	41.8
247.07603	3.6
250.06227	9.8
251.07025	3.1
253.08607	2.3
261.05466	2.4
264.07724	3.0
265.08578	26.4
266.09265	3.3
267.06699	1.7
277.05008	2.1
277.08786	8.8
278.05707	4.1
279.10013	3.4
281.08121	1.8
282.08771	3.6
283.09686	1.9
290.05951	2.2
292.07288	9.4
293.08032	20.3
294.08600	2.0
297.11166	13.9
302.12030	5.7
305.08060	2.8
307.09570	27.7
308.09503	1.7
310.08249	3.4
323.09189	2.5
325.10681	100.0
326.10880	2.4
337.10541	2.6
339.12326	18.3
343.11700	34.3
355.11749	2.2
405.14523	4.1
477.16876	11.2
552.44861	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	552.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67656	0.9
53.03933	2.0
53.38357	0.9
55.01870	1.7
55.05510	6.9
57.03430	2.0
57.07063	2.8
59.04995	1.0
64.83152	0.9
67.05495	9.2
68.99790	0.9
69.03432	7.5
69.07060	2.7
69.57130	3.9
71.04994	7.9
73.02904	1.3
77.61154	1.0
79.05489	4.1
81.03413	4.3
81.07053	62.6
82.03745	0.9
83.08598	1.3
85.02086	0.9
85.02897	11.0
85.06530	3.5
86.03251	1.0
87.00820	2.6
89.06013	2.3
91.05484	1.4
93.07022	8.0
95.01335	6.0
95.04948	3.9
95.08602	14.2
96.81042	0.9
97.02892	8.5
97.10155	8.9
99.04437	3.6
99.08070	1.4
105.01855	1.1
105.07057	2.4
107.08582	3.9
109.02874	3.7
109.06513	2.3
109.10150	2.1
110.03188	1.7
111.08076	3.4
113.02370	3.6
123.00797	7.3
123.08165	1.0
123.11699	61.3
124.12033	1.4
125.02325	1.1
127.03909	4.8
128.04248	1.7
129.72342	0.9
133.10117	4.6
137.02309	1.2
141.01817	5.1
141.12747	2.5
143.03354	2.1
145.04927	2.1
151.11168	14.0
153.01836	2.1
154.02168	1.0
159.02904	2.0
169.01338	4.8
169.12224	100.0
170.12708	1.6
181.65962	0.9
187.02396	1.6
187.13283	95.3
188.13721	1.5
229.04845	1.2
230.05212	1.2
303.04965	27.1
304.05313	40.8
305.05493	1.3
355.13785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26508	0.6
55.01864	0.9
55.05513	4.5
57.03416	0.8
57.07064	1.4
59.04987	0.8
61.02927	1.0
65.03925	1.1
67.05507	9.0
69.03421	3.5
69.07064	1.7
69.77737	2.7
70.06577	2.5
71.04981	4.9
77.03910	1.0
79.01822	1.2
79.05482	3.0
81.03413	1.1
81.07053	40.3
82.07404	0.8
83.08600	1.0
84.08107	0.8
85.02893	7.0
85.06527	3.5
86.06068	0.7
89.03889	1.1
89.06026	0.9
91.05461	1.1
93.07048	4.7
95.01331	5.4
95.04971	3.8
95.08598	9.3
97.02884	3.2
97.10160	4.4
97.39407	0.7
98.06046	1.6
99.08102	0.9
104.88601	0.7
105.03365	0.8
105.07034	1.9
107.08572	3.0
109.02900	1.2
109.06506	1.6
109.10152	1.3
110.07153	0.8
111.08024	1.4
113.05936	1.0
117.03355	1.2
123.00787	52.4
123.08072	0.8
123.11696	33.5
125.02332	0.9
127.03915	1.2
133.02835	3.4
133.10118	3.1
135.04436	1.4
137.02296	1.5
141.01819	26.6
141.12740	0.8
145.02779	0.6
145.04877	0.9
149.02348	0.9
151.11166	8.5
163.03914	6.0
165.62823	0.8
167.03336	3.4
169.01315	100.0
169.12231	21.2
170.01619	1.1
172.63905	0.7
179.03409	1.1
181.04980	4.9
187.02354	0.9
187.13278	14.6
188.13405	0.7
243.06630	0.8
287.14200	0.8
297.03928	0.8
309.13254	2.3
346.22379	3.8
355.13843	71.7
356.14267	1.9
373.14658	1.2
444.40009	0.8
451.20123	0.7
508.27686	1.3
542.63025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.0
57.05794	0.4
69.04542	0.4
69.07063	8.9
69.30332	0.7
69.30730	1.5
70.06558	0.7
75.05590	2.1
81.04541	0.3
82.05338	0.7
83.06102	4.3
85.02923	0.3
86.06063	3.2
86.09700	100.0
87.10048	1.0
89.03928	0.7
93.04524	2.9
95.06084	3.0
110.07157	59.6
111.07496	0.4
114.05518	8.6
117.03375	0.8
133.02837	0.5
135.04401	1.3
136.42017	0.3
143.11794	9.7
145.02802	0.8
145.31590	0.3
156.07674	64.1
157.08099	0.7
163.03893	5.7
166.06122	1.2
171.07625	3.2
178.13326	0.5
181.04936	2.9
186.18675	0.3
223.15483	0.5
234.12415	0.5
238.15515	1.0
251.15004	2.6
256.16525	8.2
269.16077	16.1
284.16028	19.4
285.16510	0.8
397.24506	3.2
431.23254	0.4
439.26645	1.4
534.29974	1.8
552.31335	26.3
553.31421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29713	6.3
55.05524	11.3
57.03437	12.7
57.07057	6.9
67.05500	57.2
69.07066	23.1
69.46564	31.6
71.05012	6.4
79.05499	30.3
81.07053	100.0
83.08596	7.5
85.06534	13.8
91.05460	12.6
93.07031	30.2
95.08607	82.6
97.06573	6.1
105.07030	14.2
107.08610	6.5
109.10164	10.6
109.61562	5.5
119.08610	7.7
121.10158	17.4
123.11718	9.0
147.11679	13.4
165.12801	7.4
183.13768	10.9
207.33252	5.9
208.01332	5.9
226.91510	6.3
257.17471	99.4
261.22186	15.9
335.25748	84.0
517.38776	51.5
518.39319	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	553.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59135	1.6
69.83938	1.5
69.84271	4.6
84.32703	1.2
113.73521	1.3
118.06528	15.5
130.06528	2.5
132.08090	3.4
134.04605	1.4
143.07219	2.7
144.08047	8.8
146.05994	46.4
159.09157	4.6
170.06023	4.1
188.07054	100.0
189.07416	2.4
205.09705	41.6
260.62256	1.4
318.17661	1.8
318.21371	1.6
359.35309	1.8
414.72415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2978
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.99361	0.2
59.81362	0.2
83.01083	0.5
84.01882	0.7
90.75829	0.2
95.01074	0.5
96.01906	0.3
100.53986	0.2
110.10561	0.2
118.67421	0.2
133.03450	0.2
139.03638	0.3
156.04016	0.3
157.04710	0.5
175.66676	0.2
185.04192	1.1
201.03711	1.0
203.05240	1.2
259.07938	1.4
268.02890	0.2
277.58786	0.2
317.19727	0.7
331.09937	2.2
335.20740	0.5
336.56982	0.2
345.11496	0.3
359.04443	0.4
359.13150	0.3
359.20599	0.3
360.04684	0.4
373.14603	0.6
387.16583	0.4
391.24689	0.5
401.18103	0.3
415.19397	0.8
441.21002	0.5
455.22305	0.5
483.22073	1.6
526.93329	0.2
553.29791	100.0
554.21802	0.4
554.30188	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	553.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66472	0.3
65.83257	0.4
69.66750	0.4
73.37286	0.4
75.32164	0.4
80.71710	0.4
96.01862	0.5
125.02157	0.4
133.74031	0.4
139.03616	0.4
185.04230	3.0
201.03673	1.9
275.07486	1.0
316.24658	0.4
317.19760	0.7
331.09937	3.1
335.20929	0.5
345.11755	0.6
351.18015	0.5
373.14886	0.9
391.24567	0.5
415.19522	1.5
441.20959	0.5
483.22211	1.8
535.29224	0.4
553.29785	100.0
554.30261	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	553.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40673	0.3
62.58391	0.2
67.05507	0.4
83.04957	0.3
87.04468	0.3
98.22724	0.8
104.07115	0.5
109.69753	0.3
131.50696	0.3
185.04153	0.4
198.03384	0.3
203.05275	0.7
318.81012	0.3
493.22095	1.3
511.22791	0.5
553.33423	100.0
554.33801	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	553.3344
Annotation	Dihydronortoxiferine I
Peak:m/z	Relative Intensity
55.75417	0.2
56.52044	0.2
56.60061	0.2
57.44114	0.2
69.61160	0.9
75.17424	0.2
85.04327	0.3
91.93736	0.2
106.72879	0.2
108.82640	0.2
119.37374	0.2
120.28946	0.2
185.04193	0.6
234.85320	0.2
238.10107	0.3
375.78430	0.2
386.48300	0.2
457.58484	0.2
493.22589	0.5
553.33386	100.0
554.33588	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	554.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
65.03928	2.8
67.05500	0.7
69.03436	0.6
69.20853	3.4
70.06581	1.8
70.77098	0.5
73.27989	0.5
81.07027	0.8
86.09734	0.6
91.05479	15.7
94.59808	0.6
95.08592	0.6
103.05463	4.6
115.56633	0.5
119.04941	30.1
125.06011	0.6
131.04913	13.8
137.05916	0.8
147.04399	100.0
148.04707	1.7
153.05423	0.7
162.02165	0.8
163.07507	5.7
181.04938	12.1
181.06398	0.9
190.47432	0.6
193.19035	0.6
203.06776	0.6
205.14122	0.5
392.17285	2.8
392.21420	0.6
437.95502	0.6
496.40622	0.6
497.25690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38376	2.0
54.10094	1.9
55.01856	2.8
61.02914	2.9
69.03415	6.6
71.04980	5.2
76.01674	1.8
81.03410	5.2
81.07052	4.2
85.02898	18.4
86.09712	2.0
91.05469	6.2
93.07008	10.0
95.04967	2.9
95.71914	1.9
97.02877	9.6
97.06516	9.2
103.05443	4.6
105.07023	5.6
107.04947	3.9
109.02892	2.1
121.06502	19.9
123.87401	2.1
125.02335	13.8
125.03091	2.3
125.05956	5.4
127.03911	3.3
129.48611	2.1
135.04410	3.7
145.04941	3.0
147.04366	2.6
149.05978	51.0
151.07520	3.5
153.05428	7.1
162.51207	1.9
163.03925	2.5
167.07040	12.0
177.05450	54.2
194.21371	2.0
194.49931	2.2
195.06514	100.0
213.07559	48.2
237.46884	2.0
359.87030	2.3
405.86368	2.1
474.83636	2.7
554.18304	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	554.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01871	1.5
55.05507	13.1
56.05030	1.1
58.99577	4.0
64.92013	0.5
67.05492	1.1
69.03439	0.8
69.07024	0.5
71.42032	0.7
74.00669	1.7
76.02220	15.0
76.03999	1.2
79.05475	1.7
81.07050	0.8
83.04974	100.0
83.06051	2.3
84.04501	10.0
84.05303	0.6
85.06563	1.0
86.99056	0.9
88.02216	3.7
91.05476	2.7
93.07037	1.8
95.04951	1.7
97.06517	2.4
99.05579	1.9
100.02187	2.6
100.11241	4.3
101.11622	1.0
105.07018	14.5
105.68678	0.7
107.08576	1.2
109.02860	2.4
109.06535	0.7
111.04455	1.7
116.01682	3.9
117.07024	1.6
119.08565	1.6
121.06493	17.5
127.02130	1.8
129.06604	2.6
130.04985	4.2
132.05682	0.9
133.06477	47.1
135.04445	0.8
135.08018	4.2
137.04182	4.2
140.09312	0.7
142.03232	1.8
142.12306	1.7
143.08566	0.9
144.01106	2.6
144.02098	1.1
145.06494	10.1
147.02661	1.0
147.08040	10.3
150.01347	1.8
153.06627	1.6
155.08182	1.3
159.08055	2.2
161.05952	2.6
162.02202	8.5
163.03897	1.7
163.07559	4.9
164.07849	1.2
165.03683	14.3
168.09346	0.6
169.10268	0.6
171.08110	0.9
171.11728	1.2
173.05962	2.1
173.09654	1.2
174.06973	0.6
175.07555	0.8
177.03392	1.5
179.04839	22.2
181.06339	1.5
182.15450	1.9
184.08823	0.8
185.03850	1.3
185.09637	1.0
186.10361	1.3
187.05246	0.8
187.07500	0.7
187.11206	1.8
191.05176	1.6
193.33148	0.6
196.08783	3.2
197.09738	0.8
199.07156	1.4
199.11147	7.7
201.12724	2.8
203.04993	1.0
205.71994	0.6
209.09621	0.7
209.16406	0.9
210.14882	1.9
211.11169	16.8
213.12762	0.8
214.12282	0.9
215.10739	1.2
217.12233	1.3
218.06247	0.8
223.42226	0.6
227.10730	3.5
228.11012	0.7
229.12230	21.7
231.04347	4.2
233.05893	1.7
243.08441	2.7
245.11745	2.6
246.12061	1.0
247.13306	14.8
261.09421	2.9
263.10962	0.7
269.10049	1.3
279.10516	2.5
286.12476	0.7
287.10757	0.8
299.67438	0.7
304.13736	1.4
305.12073	4.4
311.10489	3.1
341.40579	0.6
389.15256	10.3
390.13712	0.8
407.16354	7.4
425.17401	2.3
461.17230	4.6
479.18454	11.6
518.19501	2.5
519.05389	0.7
536.20288	2.0
553.45001	3.8
554.19806	1.0
554.43732	2.1
555.19543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35715	0.1
51.69653	0.2
52.12836	0.1
55.05514	0.3
55.36374	0.1
57.05786	0.3
57.76830	0.1
58.06598	4.8
61.83523	0.2
67.05502	0.2
68.05012	0.3
82.06581	3.2
83.07356	10.3
88.07627	1.5
96.08136	0.1
98.09686	53.9
99.10011	0.6
116.10722	100.0
117.11073	1.1
138.88835	0.2
190.52040	0.2
243.07695	0.2
366.61108	0.2
370.80722	0.2
554.32416	6.5
555.32971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46001	0.2
61.02934	0.2
63.02390	0.7
63.88070	0.2
65.03944	0.5
67.05507	0.8
69.03423	0.3
69.07059	0.4
71.05022	0.2
77.46569	0.2
78.04713	0.6
79.05483	0.5
81.03419	0.4
81.07043	2.2
85.02902	0.9
87.03291	0.2
89.03909	8.8
89.04469	0.4
91.05474	0.8
93.07032	0.4
95.04972	0.5
95.08588	1.0
97.02895	0.2
97.06515	0.3
103.05435	0.5
105.07076	0.2
106.04202	0.6
107.08563	0.2
113.02376	0.8
113.09646	0.5
117.03368	24.2
117.14787	0.2
119.04961	0.3
121.10149	0.3
122.91963	0.2
123.11698	1.2
127.03924	0.3
133.10127	0.3
134.03621	2.2
135.04446	1.8
137.05972	0.9
138.44467	0.2
144.17555	0.2
145.02835	55.2
146.03174	0.9
147.04395	0.3
149.05965	8.2
151.11127	0.2
162.03061	0.3
163.03903	3.0
171.06531	0.3
171.46268	0.2
177.05452	100.0
178.05791	1.4
181.04959	2.4
182.05305	0.8
183.05438	0.8
186.05452	0.6
204.06927	0.2
217.08597	0.4
317.17410	0.4
345.16876	0.5
355.68518	0.2
537.19397	0.4
555.20245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01633	0.2
61.25508	0.2
62.98777	0.2
63.02365	0.5
67.05479	0.3
67.36909	0.2
69.34982	1.2
78.04730	0.4
79.05479	0.3
81.07056	1.5
89.03909	7.8
91.05486	0.7
93.07040	0.3
95.08599	0.4
106.04183	0.7
112.68914	0.2
117.03366	24.0
121.06479	0.2
123.11668	1.2
127.03831	0.3
134.03630	1.8
135.04381	1.3
145.02832	56.5
146.03174	0.6
147.04291	0.3
149.05963	8.2
150.91035	0.2
151.11162	0.3
163.03854	0.9
177.05447	100.0
178.05806	1.5
186.05464	0.5
200.70300	0.2
204.43990	0.3
228.30135	0.2
250.29520	0.2
336.34155	0.3
408.85797	0.3
537.18414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93717	0.3
61.47836	0.4
63.02372	0.4
64.28839	0.3
67.05512	0.7
69.03432	0.3
70.70888	0.6
78.04725	0.5
79.05510	0.5
79.53059	0.3
81.07047	2.1
85.02885	0.6
89.03914	9.7
91.05470	0.8
93.07065	0.6
95.04942	0.4
95.08603	0.7
97.02899	0.3
103.05468	0.5
106.04153	0.6
107.08585	0.4
117.03374	25.5
119.04940	0.3
123.11697	1.3
124.05196	0.3
133.10115	0.3
134.03642	2.1
135.04440	1.7
145.02841	55.0
146.03163	0.8
149.05971	8.5
151.11093	0.3
163.03902	1.1
169.12274	0.5
177.05464	100.0
178.05777	1.7
186.05479	0.8
224.44965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04305	0.3
53.62450	0.2
63.02385	0.9
67.05518	0.3
69.03417	0.6
70.70827	0.6
78.04712	0.6
79.05489	0.4
79.45039	0.3
81.03403	0.4
81.07056	3.0
85.02897	0.3
89.03915	8.7
91.05474	0.5
93.07040	0.4
95.04971	0.6
95.08615	0.6
97.02945	0.3
98.98461	1.3
103.05495	0.3
106.04148	0.8
109.02834	0.4
116.95838	0.3
117.03375	24.3
117.87769	0.3
118.19895	0.3
123.11702	1.3
124.05206	0.3
134.03603	2.1
135.04424	1.1
145.02841	55.4
146.03203	0.7
148.80276	0.3
149.05978	8.0
151.11180	0.5
154.55217	0.3
163.03876	1.2
169.12271	0.4
177.05461	100.0
178.05786	1.4
186.05513	0.7
231.05043	0.4
314.13098	0.3
393.22510	0.5
402.26624	0.3
555.24017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03944	3.6
55.01895	2.1
64.66602	2.2
69.03434	2.1
77.03933	2.3
79.05521	2.7
81.03427	3.7
84.04490	3.6
85.02899	3.3
91.05472	19.0
93.07044	36.8
95.04971	10.5
98.22633	4.6
103.05473	3.4
105.04527	3.5
105.07010	2.4
107.04966	2.2
121.06500	59.7
124.16602	1.8
127.03936	3.0
130.04927	2.0
131.05019	2.5
133.06502	2.3
137.06007	2.3
139.07532	2.8
148.06078	4.3
149.05972	100.0
149.87413	2.0
167.07037	75.9
311.11264	6.0
316.50363	2.1
469.15866	2.0
485.07742	2.1
499.56772	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.03428	5.3
57.07072	20.1
58.06595	4.2
67.05502	8.8
69.07058	6.2
69.23270	12.1
71.08629	19.8
81.03414	5.1
81.07048	12.5
82.06580	3.6
83.07359	11.4
83.08616	4.3
84.07698	2.6
85.10179	7.9
86.09708	4.2
95.08609	14.8
97.10168	4.1
98.09691	67.2
98.98470	63.4
99.10026	12.7
109.02885	4.9
109.10161	9.0
116.10715	3.0
123.11662	2.7
146.98180	4.7
155.01036	77.9
182.37688	2.0
208.01381	2.2
239.23662	6.0
313.27353	47.6
317.06360	5.5
328.02924	2.3
342.54425	1.9
391.03818	2.2
393.23840	5.6
401.28745	2.6
497.26212	6.2
537.27747	3.3
555.29169	100.0
556.33826	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
57.03426	7.8
57.07075	26.9
57.75311	2.0
58.06584	5.0
66.37012	1.6
67.05491	11.0
69.07069	8.3
69.69699	7.4
71.08632	20.7
75.60127	1.8
81.03398	6.1
81.07048	15.0
82.06554	4.1
83.07371	13.6
83.08190	1.7
83.08605	9.2
84.07666	1.8
85.10175	13.3
86.09687	1.9
87.05639	1.6
95.08603	21.6
95.82371	1.9
97.10205	2.0
98.09692	85.8
98.23392	2.7
98.98462	89.5
99.10023	12.1
104.10728	7.9
109.02873	5.0
109.10146	9.8
116.10722	93.8
117.11050	20.8
123.11666	2.6
137.13252	2.3
155.01030	100.0
160.24539	1.7
177.37378	2.0
221.22711	2.6
239.23712	9.2
243.02623	2.6
313.23697	4.1
313.27325	59.6
317.06308	4.8
393.23828	4.7
401.28992	5.6
555.29260	45.3
556.32977	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	555.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.0
55.05518	5.2
57.03438	6.5
57.07075	26.5
62.69818	0.6
67.05506	14.1
67.48454	0.6
69.03429	1.2
69.07064	7.2
69.68002	1.2
69.68387	1.4
71.04986	0.9
71.08630	19.8
71.89832	0.6
79.05498	4.5
81.03414	6.8
81.07056	15.4
83.08617	8.7
85.02893	0.7
85.10178	10.8
85.10637	0.9
85.13699	0.6
88.72164	0.6
91.05466	4.3
93.07069	3.5
95.04960	1.8
95.08021	1.3
95.08601	17.9
97.06525	1.7
97.10181	3.9
98.22771	0.8
98.98465	71.2
99.04466	1.4
105.07018	3.4
107.04897	0.8
107.08629	1.4
109.02881	5.4
109.06398	0.8
109.10145	8.1
111.11731	1.1
115.52733	0.7
116.99493	2.5
117.07037	1.4
119.08559	1.9
121.10110	1.5
123.11727	4.0
125.13230	0.8
127.03935	0.7
129.06995	1.2
131.08575	1.4
133.10110	1.8
137.13248	2.0
143.08574	1.2
145.10123	1.6
147.11751	0.9
151.14804	1.0
155.01038	100.0
156.75645	0.7
165.16415	0.9
169.10103	0.8
171.11742	1.2
178.53362	0.7
239.23683	9.0
243.02621	1.4
257.18951	1.5
275.20004	3.2
299.05206	0.8
313.27350	57.9
314.27719	2.3
317.06299	7.5
383.27780	1.3
393.23944	6.2
401.28815	4.7
537.28180	2.0
555.36719	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	556.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05500	1.8
57.03423	1.8
57.11049	0.6
65.17500	0.5
69.03429	3.1
70.06588	0.7
70.55486	0.8
70.55802	0.8
73.02905	0.9
77.03916	1.2
79.05490	12.7
81.03391	0.6
81.07035	1.2
83.47240	0.6
85.02881	0.8
89.78005	0.5
91.05468	7.6
93.07041	43.6
95.04950	3.0
101.02364	1.1
103.05424	0.7
105.04516	1.6
105.07024	6.6
106.07851	0.5
107.08591	8.2
109.06530	1.0
119.08579	1.8
121.10136	100.0
122.10458	1.5
123.08004	1.5
123.11698	1.2
131.08556	3.4
133.07603	0.8
137.05962	1.0
139.11162	0.8
147.02928	0.5
149.09612	22.3
167.10669	4.8
193.03441	2.0
215.44644	0.7
341.12332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05500	3.0
65.03941	4.8
69.03445	2.4
70.06583	4.3
70.56503	3.2
70.56841	3.8
79.05495	5.6
81.03449	2.4
81.07025	2.5
85.02902	7.1
86.09683	2.6
91.05476	36.0
93.07041	6.1
95.04969	3.7
97.02847	2.7
103.05463	17.0
105.03402	9.6
105.06999	12.4
106.47778	2.7
107.00990	2.4
107.04967	6.2
109.06508	10.2
115.05466	4.2
119.04939	49.9
121.06450	2.7
121.10123	5.4
122.03608	3.5
123.08032	3.4
131.04930	25.8
133.02892	4.5
133.06506	13.9
137.05971	100.0
138.06311	4.7
145.06485	3.3
147.04411	24.9
147.08063	5.2
149.06006	7.7
151.07520	24.6
159.07964	2.9
160.05249	2.8
161.05972	30.6
162.06773	9.8
163.03833	3.5
163.07503	19.5
165.05374	3.0
175.07533	25.9
179.07018	30.8
181.04912	3.8
187.07526	14.0
191.08513	2.8
193.08607	7.6
199.07739	2.6
205.08559	15.1
217.08623	3.4
219.08032	6.6
234.08382	4.9
235.09526	5.1
247.07474	2.9
259.08237	2.8
260.08521	2.9
279.10089	5.5
291.10117	4.2
309.11157	12.3
311.12750	8.3
323.12885	4.3
341.13800	8.7
393.14218	3.8
394.14279	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	556.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
53.03944	0.3
62.47681	0.1
67.05502	0.7
69.03368	0.1
71.04984	0.2
78.03449	0.5
79.05476	0.2
80.05014	4.2
81.07062	0.4
89.02405	0.1
91.05479	0.4
93.07014	0.3
95.04963	0.4
96.04489	3.4
97.02882	0.4
97.04786	0.2
101.77365	0.1
103.05443	0.1
105.07021	0.4
106.02900	0.4
107.08589	0.2
111.08105	0.2
119.06062	0.1
119.08572	1.4
123.31348	0.1
124.03947	100.0
125.04306	0.8
129.07040	0.2
131.08577	0.2
133.10149	0.4
141.05464	0.3
145.10129	0.3
155.07036	0.4
155.08580	0.2
156.09300	0.2
157.10092	0.3
159.11690	0.5
169.10127	0.4
170.10847	0.2
171.11676	0.5
173.13309	0.3
176.09573	0.1
183.11702	0.3
185.13339	0.3
193.10193	0.3
195.11673	0.2
197.13226	0.8
201.12659	0.3
202.14037	0.1
206.10793	0.1
207.11665	0.2
211.14790	0.3
220.12433	0.6
223.14853	0.2
225.16385	0.2
235.14862	0.9
247.46945	0.1
249.16342	0.3
253.15851	0.3
262.96118	0.1
267.17410	0.2
271.16913	0.1
277.15778	0.2
291.34836	0.2
295.17026	0.3
313.17969	1.7
454.22571	0.2
514.24194	0.3
551.32855	0.1
556.24805	0.2
556.31934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57927	0.2
55.05487	0.6
57.03426	0.4
57.07077	1.2
58.06336	0.4
58.06594	4.6
59.29070	0.2
60.08184	0.3
67.05476	0.7
68.05008	0.3
69.07046	0.7
69.68004	0.6
71.08614	0.6
72.08988	0.3
78.61628	0.2
81.03407	0.3
81.07039	0.7
82.06096	0.2
82.06579	3.3
82.18846	0.2
83.07354	10.8
83.41280	0.2
85.10152	0.4
86.09689	1.5
87.57008	0.2
88.07627	1.5
89.06019	0.5
93.92642	0.2
95.08604	0.9
96.08141	0.2
98.09686	62.9
98.98459	3.0
99.10027	0.7
104.10731	5.1
116.10721	100.0
117.11066	1.4
122.66956	0.2
128.10690	0.2
146.98181	0.6
155.01041	2.9
156.01482	0.3
283.26151	0.3
284.07382	0.3
313.27472	0.6
314.27740	1.7
351.28894	0.3
497.26328	2.7
556.19720	0.5
556.33875	10.6
556.52832	0.6
557.33972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.257
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
53.03954	0.3
53.69902	0.2
57.56881	0.3
69.03428	0.6
69.17922	1.8
69.51215	0.3
71.04993	0.4
73.46812	0.3
81.03432	0.3
83.00781	0.3
85.02905	1.6
87.00816	0.4
89.03935	0.4
91.05511	0.3
97.02887	0.7
98.23564	0.6
98.31660	0.3
99.04497	0.4
102.85907	0.3
105.01868	1.0
109.02895	0.7
109.82120	0.4
117.03417	0.5
127.03912	1.1
135.04445	0.4
145.02936	0.5
163.03870	3.1
176.09160	0.3
201.20578	0.3
231.05023	0.4
237.80098	0.4
291.15762	0.3
347.09512	0.9
365.10703	1.1
395.20367	7.4
395.25089	0.5
431.33551	0.3
504.36526	0.3
557.25665	100.0
558.26093	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77932	2.5
52.57446	2.5
55.05509	24.4
56.26993	2.9
57.03430	9.3
57.07071	5.9
65.03948	3.7
67.05502	54.0
69.03435	2.6
69.07063	20.3
69.89005	6.3
69.89378	4.9
71.04993	5.2
79.05488	51.2
81.07051	52.4
83.08625	12.7
85.06538	4.8
89.06036	8.0
91.05480	51.2
93.07038	47.0
95.04942	15.0
95.08594	33.4
97.06544	7.0
97.10187	5.3
105.04556	5.8
105.07034	49.6
107.04964	4.1
107.08583	22.0
109.10154	13.5
111.08109	3.1
115.05416	3.2
117.07011	21.1
119.08576	41.6
121.06485	3.2
121.10132	16.0
123.08097	6.2
128.06229	7.0
129.06984	25.5
130.07739	4.0
131.04921	4.2
131.08563	35.3
133.08614	3.8
133.10121	24.3
135.08141	4.0
135.11708	12.5
137.09598	3.2
141.07024	10.0
142.07851	3.6
143.08551	28.2
145.06467	5.1
145.10120	31.1
147.08086	3.9
147.11667	25.8
149.13246	6.6
154.07776	3.8
155.08565	26.8
156.09412	4.2
157.10121	26.9
159.11682	22.2
161.13248	15.8
167.08588	11.3
169.10130	28.3
171.11668	29.1
173.13330	10.2
175.11075	3.4
175.14839	5.0
179.08588	4.4
181.10109	19.0
183.11732	23.0
185.13242	22.8
187.14719	6.1
189.12720	5.3
195.11736	15.6
197.13283	20.0
199.14827	6.4
201.16246	3.5
207.11850	4.3
207.13783	6.3
209.13287	11.1
211.14754	6.8
213.16423	9.8
221.13246	5.3
223.14822	7.9
225.16409	4.2
235.14771	3.6
237.16269	5.3
241.19554	9.7
247.17117	4.4
251.17851	3.1
259.20590	17.4
279.15903	4.9
281.17526	12.7
313.21640	3.0
323.23672	4.4
333.24176	5.0
335.23557	4.3
377.24304	3.1
419.33023	6.2
429.31177	4.2
437.34012	10.1
447.32492	28.5
465.33673	29.9
483.34753	21.9
521.35956	8.3
524.51154	2.9
527.37073	3.9
529.38556	9.2
539.37335	100.0
540.37573	8.9
557.38312	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
52.52790	1.2
53.03936	2.8
55.01860	3.9
55.05510	24.6
57.03429	7.1
57.07066	2.8
57.54031	1.1
58.06602	1.8
59.05005	1.4
59.68702	1.2
65.03942	2.7
67.05500	48.4
67.61959	1.2
69.07061	15.3
69.24160	7.5
69.46394	1.1
71.04986	4.9
71.08623	2.4
77.03923	2.1
79.05045	2.9
79.05493	47.3
81.03429	3.2
81.07054	45.9
81.99751	1.1
82.06528	1.5
83.04974	4.7
83.07360	4.9
83.08621	9.9
85.06548	3.0
89.64479	1.1
91.05476	44.4
93.06458	2.2
93.07043	44.2
95.04962	9.6
95.08603	28.5
97.06527	5.3
97.10172	4.2
97.67796	1.1
98.09688	26.7
98.98450	1.6
99.08074	2.0
99.10027	7.6
104.10722	1.5
105.04520	3.0
105.07027	36.1
107.04948	5.1
107.08589	19.0
109.06496	6.1
109.10172	9.0
111.08111	2.3
115.05447	3.9
117.07022	21.5
119.08585	35.9
121.06468	3.3
121.10137	15.0
123.08071	6.2
125.09624	2.4
128.06226	4.9
129.06993	21.7
130.07736	1.9
131.08563	32.4
133.06461	1.8
133.10118	24.5
135.08087	1.7
135.11713	10.5
137.09674	1.4
141.07008	9.3
142.07745	3.3
143.08562	23.8
144.09303	1.7
145.06523	1.6
145.10110	28.0
147.08022	3.1
147.11682	20.0
149.09581	2.1
149.13249	5.9
151.11191	1.4
153.06985	2.5
154.07819	2.2
155.08537	22.0
156.09338	2.5
157.10114	20.0
159.08026	2.6
159.11671	23.0
161.09624	2.1
161.13237	13.2
163.11256	2.7
163.14883	1.7
165.07043	1.5
167.08568	9.6
168.09364	4.0
169.10130	22.2
171.11674	27.1
173.13252	11.7
175.11159	1.5
175.14854	5.6
177.12744	2.7
179.08638	3.3
180.09332	1.4
181.10114	14.8
182.10889	1.9
183.11671	21.8
185.09619	1.9
185.13260	15.6
187.11235	3.5
187.14795	6.3
189.12753	2.2
193.10132	4.3
195.11743	12.8
196.12259	1.3
197.13260	13.0
199.14844	8.8
201.12717	1.8
201.16356	2.0
207.11684	4.4
207.13811	5.8
209.13329	10.6
211.14807	9.3
213.16338	11.8
215.14391	1.6
217.19334	1.1
219.11671	2.4
221.13312	3.9
223.14819	5.1
225.16394	4.3
227.12589	1.5
231.17444	2.2
233.13228	1.8
235.14876	2.6
237.16397	3.5
239.17990	2.4
241.14139	1.4
241.19460	12.2
247.16882	4.5
249.16264	2.7
251.17984	2.0
256.26422	1.9
257.19012	2.8
259.20584	17.3
261.18726	1.5
261.22018	1.5
267.21146	2.0
269.19025	2.7
269.22791	1.7
279.15848	6.7
281.17346	10.5
285.22104	1.6
287.20129	2.2
297.22101	2.0
309.22018	2.6
311.20023	1.5
311.23624	1.9
313.21722	1.8
321.21948	1.4
323.23685	3.7
325.21796	1.4
327.22864	1.8
333.24146	5.3
335.23587	2.7
337.25217	1.9
341.24725	2.8
349.25110	2.2
353.24695	2.0
355.26080	1.8
357.24698	1.7
367.26334	2.9
379.26056	2.2
419.33130	2.2
429.31812	6.0
435.32477	2.3
437.34003	11.8
447.32571	24.8
465.33673	28.1
466.34277	2.0
483.34775	18.9
493.36377	1.8
501.35449	2.5
503.35269	1.8
511.38016	3.2
521.36401	11.2
527.37207	3.4
529.38745	6.6
539.37280	100.0
540.37732	5.3
557.38654	51.9
558.38763	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01880	3.8
55.05508	18.8
57.03433	7.1
57.07067	3.6
65.03951	2.3
67.05501	51.3
69.07068	14.8
71.04967	3.4
73.74345	1.8
77.77177	1.6
79.05490	47.1
81.03438	4.5
81.07053	49.5
81.07504	3.8
83.04971	6.9
83.08627	10.7
85.06504	3.7
91.05481	47.5
92.17085	1.8
92.65086	2.0
93.07040	47.6
95.04970	11.9
95.08605	29.9
97.06553	5.7
97.10172	5.4
103.05486	3.0
105.07024	47.0
107.04930	10.1
107.08595	23.9
109.06530	5.1
109.10139	13.1
111.08122	2.3
115.05430	2.3
117.07017	25.1
119.08574	30.0
121.06538	3.0
121.10149	15.0
123.08080	4.3
123.11724	2.7
125.09577	3.4
128.06155	4.4
129.06995	20.5
129.75450	1.8
131.04906	2.1
131.08571	32.7
133.10141	24.6
135.11682	9.0
141.06990	7.7
141.20377	1.8
142.07753	4.6
143.08585	24.2
145.06473	2.9
145.10110	28.4
147.03993	1.9
147.08023	2.5
147.11685	23.8
149.13292	7.0
154.07753	2.1
155.08540	22.6
156.09348	3.2
157.10132	19.7
159.08086	2.0
159.11691	21.6
160.12268	1.8
161.09628	4.3
161.13248	14.1
163.11214	3.6
167.08600	7.8
168.09499	2.5
169.10124	20.1
171.08102	2.5
171.11678	23.1
173.13234	13.1
175.11093	2.4
175.14812	6.8
177.12802	2.9
179.08537	3.3
181.10120	11.6
182.10970	2.3
183.11743	20.7
185.13240	16.6
187.11189	3.1
187.14850	5.6
187.73886	2.2
193.10181	3.7
195.11662	13.1
195.13370	1.7
197.13239	16.0
199.14787	12.1
207.11781	3.0
207.13773	4.8
209.13272	11.3
211.14815	6.9
213.16353	12.7
215.14441	2.1
219.11600	2.0
221.13251	5.4
223.14822	5.8
225.16402	5.4
227.18146	2.2
233.13306	3.0
235.14819	4.4
237.16389	6.2
238.17085	1.9
239.17973	4.9
241.19554	8.6
257.19107	1.9
259.20612	20.5
275.20041	2.1
279.15839	3.9
281.17343	9.7
311.19754	2.5
323.23489	3.3
325.21335	2.3
327.23029	2.7
333.24350	7.4
335.23688	3.6
353.24753	3.3
363.26779	2.2
419.33060	2.5
429.31302	7.1
437.34210	5.4
437.65268	1.9
445.30261	2.2
447.32544	26.5
465.33755	24.4
483.34668	17.5
521.36353	8.4
527.37048	2.6
529.38922	6.9
529.62909	2.0
539.37305	100.0
540.37555	5.8
557.38495	54.0
558.38348	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	558.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82569	1.2
53.03938	1.5
57.02358	1.2
65.03936	3.6
67.05498	2.3
69.03426	1.9
81.03406	5.3
82.04192	2.5
85.02897	4.9
87.28558	1.3
95.04964	2.5
97.02876	3.0
97.06503	1.3
98.22643	4.2
99.04449	1.4
109.02852	1.7
110.03632	1.7
111.04426	1.2
114.36447	1.3
122.06024	1.4
140.04674	5.1
140.07037	1.7
145.02837	2.2
146.03117	1.5
153.05447	2.1
155.07008	1.9
158.41080	1.2
163.03880	3.4
164.04155	1.2
164.75679	1.3
171.06578	3.5
177.05479	4.9
181.04942	100.0
195.06563	1.6
199.06000	6.4
203.40456	1.4
250.71002	1.1
325.09097	6.4
343.10208	5.4
387.40030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01863	0.2
57.03437	2.1
58.50727	0.2
61.02936	0.5
69.03428	1.4
69.69003	0.5
69.69356	0.5
71.01328	0.2
71.04989	9.2
73.02897	0.6
75.04458	0.6
81.03403	0.6
83.04955	0.8
85.02903	12.5
87.04456	0.9
91.03948	0.2
97.02905	1.0
98.22643	0.2
99.04446	0.4
106.06557	0.5
111.04420	0.5
113.90121	0.2
127.03911	0.7
129.05467	1.6
133.07579	0.3
134.05984	0.6
145.07605	0.5
149.05943	0.7
151.08659	2.8
156.39258	0.2
157.02139	0.2
160.06326	0.7
161.07077	0.9
173.07095	9.3
174.07767	0.6
181.05008	0.4
185.07120	0.2
187.08661	2.2
191.08139	57.6
192.08456	1.2
204.11301	0.3
205.09727	3.1
214.09819	0.6
215.08160	2.8
219.07756	0.2
232.10802	4.6
233.09195	61.5
234.09503	1.3
250.11848	100.0
251.12265	2.0
257.09195	0.6
265.91287	0.3
274.11880	0.5
275.10413	1.1
292.13028	1.2
299.09921	0.2
379.14828	0.5
395.14288	0.6
396.17676	1.9
412.17133	13.3
413.17606	0.5
419.15378	0.2
509.16556	0.3
530.41217	0.2
570.65448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.05500	9.8
57.07068	3.2
57.93226	1.3
59.04974	1.7
60.08146	3.0
62.73592	1.4
67.05502	16.6
69.03407	3.1
69.07056	3.8
70.06579	4.3
71.04985	9.3
71.43951	2.1
71.98489	1.4
72.08147	1.9
79.05486	6.4
81.07048	100.0
83.08595	2.2
85.02883	4.0
85.06538	5.3
86.09688	4.8
89.05985	1.5
91.05482	2.3
93.07050	10.4
95.04958	6.8
95.08597	21.9
97.10160	8.2
101.02366	1.7
101.36401	1.6
105.07030	4.8
107.08611	3.7
109.06469	3.5
109.10133	6.1
110.07181	1.7
111.08073	2.0
121.10175	2.8
123.08051	2.0
123.11696	83.7
127.11163	3.2
128.07010	1.5
133.10109	4.7
139.12613	1.5
141.12753	2.2
145.02867	1.6
146.05988	3.0
151.11153	27.3
166.06502	1.7
169.12222	56.2
172.01323	1.4
177.05431	1.5
178.06001	1.6
187.13284	35.1
188.07030	2.5
193.03441	2.5
247.14494	3.1
297.18488	1.6
311.69736	1.7
343.13870	8.4
361.14935	37.4
562.24298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01870	5.7
55.05495	0.8
57.03430	4.9
61.02924	6.8
68.99789	2.0
69.03426	36.0
69.03803	1.8
70.26871	1.3
70.27208	1.2
71.04980	4.8
73.02910	5.9
81.03413	27.5
81.03896	1.3
83.04981	1.1
85.02900	100.0
86.03221	1.3
87.00822	49.9
87.04472	1.6
89.10934	0.8
91.03942	1.8
91.60453	0.8
95.04946	0.8
97.02888	46.4
99.04445	15.3
103.03918	0.9
105.01862	86.2
107.08566	0.8
109.02872	40.3
115.03949	0.9
117.01820	1.7
123.04408	0.8
127.03906	89.4
128.04256	0.9
129.01852	2.4
131.08612	0.8
145.04950	38.9
147.02904	2.9
159.02875	14.5
161.06082	1.1
171.02869	1.1
177.03949	1.3
189.03940	3.2
191.01726	0.8
213.03937	9.7
231.04973	31.3
232.05353	0.9
249.06015	11.5
253.07114	3.5
271.08020	2.1
357.08405	0.8
375.09445	1.1
393.10181	1.8
396.14688	2.2
523.12628	1.0
558.18677	0.9
558.26276	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	559.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05907	0.3
64.52168	0.3
75.60745	0.3
78.03460	0.8
80.05016	5.2
85.20248	0.3
88.10399	0.3
96.04488	3.2
104.17226	0.3
106.02916	0.9
119.08614	0.3
124.03951	100.0
125.04303	0.4
143.08572	0.4
147.11746	0.4
183.11816	0.4
195.11749	0.3
196.25153	0.3
200.20024	0.3
242.51375	0.3
295.17047	0.5
313.17996	0.4
436.21143	3.9
461.19870	0.4
474.24789	0.3
559.24323	10.4
560.24652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03942	3.2
55.01863	6.1
55.05507	20.7
55.69723	1.0
57.03433	10.3
57.07069	3.3
65.03944	3.9
67.05501	41.3
69.03421	2.0
69.07063	15.7
69.10260	4.2
69.10667	3.1
71.04992	4.8
73.02927	1.8
79.05489	49.8
81.03413	2.7
81.07051	45.8
83.04963	7.6
83.08619	13.1
85.06522	2.5
91.05473	50.0
93.07040	72.9
93.12533	1.1
95.04960	11.8
95.08601	52.9
97.02891	3.9
97.06522	5.6
97.10175	3.3
99.04465	2.0
99.08092	2.0
103.05489	1.9
105.04513	4.3
105.07027	52.3
107.04945	8.1
107.08584	45.6
109.06492	6.2
109.10153	7.8
111.08133	2.2
113.06022	1.8
115.05463	2.0
116.06287	1.1
117.07000	20.1
119.08573	47.7
121.06480	6.9
121.10136	26.9
123.08052	2.0
123.11721	2.1
125.05987	3.7
128.06223	2.1
129.05486	2.0
129.06978	8.1
130.07799	2.6
131.08557	15.8
133.10117	31.1
135.08043	5.4
135.11682	56.6
136.12000	1.3
139.07532	1.8
143.08556	7.9
145.08969	2.3
145.10110	42.9
145.11223	2.3
147.11678	33.3
149.09618	2.3
149.13240	8.5
157.10141	6.6
159.11684	15.0
161.13243	29.7
163.11172	57.8
163.14824	2.1
171.11668	9.4
173.13261	8.1
175.11169	1.3
175.14824	14.1
177.12755	2.1
181.10258	1.0
181.10748	1.6
181.12193	11.5
182.12738	1.0
185.13225	8.3
187.14760	5.8
189.16321	1.2
199.14832	4.9
209.11671	2.7
213.16367	2.0
215.17970	2.3
217.19571	2.2
227.12753	100.0
228.13185	1.4
231.17279	1.6
231.21024	7.1
241.19501	34.0
241.21866	2.4
243.21165	1.7
259.20569	73.4
260.20984	2.5
275.20047	2.5
277.21616	2.8
283.15387	44.8
284.15790	1.6
297.22116	1.7
315.23108	9.5
333.24210	71.5
389.18396	1.1
541.35150	18.0
559.35504	4.2
559.44281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29240	0.3
53.03949	0.8
65.03933	2.7
67.05497	1.3
69.03419	1.6
69.38781	0.9
69.39183	1.0
81.03415	4.0
82.04189	1.3
85.02894	3.6
93.03385	0.8
94.66260	0.4
95.04957	2.9
97.02888	1.5
97.06507	0.8
98.22731	0.5
99.04443	0.6
103.24776	0.4
105.04514	0.5
108.02084	0.8
109.02877	1.6
109.06524	0.6
110.03652	1.2
111.04417	0.5
115.57507	0.4
123.04402	1.1
125.05970	1.1
127.03928	0.7
137.05945	0.6
138.03120	0.5
140.04662	4.8
142.02583	0.6
153.05463	2.9
155.07047	2.6
163.03929	0.7
165.05473	1.0
171.06529	3.6
181.04939	100.0
182.05290	2.2
199.05986	8.1
305.75113	0.4
319.10532	0.3
325.09161	5.7
343.06262	0.6
343.10205	6.6
495.50726	0.4
582.19189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02995	3.0
55.05485	1.8
57.03415	0.5
57.92763	0.4
60.05624	1.4
61.02902	0.5
65.03917	1.9
67.05478	0.8
69.03423	3.0
69.07063	0.5
70.06556	1.0
70.59065	0.7
72.05616	0.9
72.08154	34.0
73.02877	0.4
73.06556	2.4
74.25895	0.4
79.05501	0.5
81.03411	2.4
81.07018	0.9
82.04185	0.6
84.08133	1.2
85.02908	4.2
86.09692	3.4
90.09206	1.0
91.05515	0.5
93.03386	1.2
95.04977	0.7
97.02876	1.7
97.07653	19.1
99.04436	0.6
100.08709	0.5
109.02876	2.9
110.03648	1.0
111.04418	0.6
114.10287	34.1
114.88580	0.4
115.08680	1.0
125.05974	0.7
126.05500	0.5
127.03931	2.5
129.10223	0.9
132.11320	12.6
138.03107	0.7
138.07420	0.4
142.02663	0.4
143.11807	0.5
145.04990	0.5
150.12952	0.5
153.05402	3.1
155.06998	1.0
171.06551	3.0
180.06528	1.0
181.04948	100.0
182.05309	1.8
187.05965	0.5
198.07663	0.6
223.05957	0.8
253.10687	0.5
267.15930	0.6
295.12946	1.3
312.15515	54.6
313.15872	1.6
439.80524	0.5
474.20792	1.5
508.19247	0.5
516.21869	36.7
517.22144	1.0
560.20862	35.2
561.19110	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13077	30.5
67.05496	100.0
79.05476	36.9
79.75200	29.6
81.07070	98.2
86.09663	36.4
93.07037	74.7
95.08597	53.1
98.09692	67.2
107.08624	41.0
118.31815	29.5
123.11707	40.6
135.11650	48.0
160.66557	31.8
261.22110	74.1
264.74432	33.0
293.19888	32.0
295.35257	34.2
299.06967	53.6
318.63632	32.9
337.27475	41.2
382.79593	34.5
501.22141	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44299	0.9
59.04992	1.6
60.37611	0.9
60.85759	1.0
61.01121	3.6
61.33215	0.8
73.04753	7.7
73.06529	1.3
76.61164	0.9
77.00174	2.0
77.00603	32.8
79.02170	2.8
82.94744	0.9
83.07330	1.7
87.04465	2.8
89.06029	8.7
91.05795	12.1
93.03691	1.1
95.01641	100.0
98.09695	17.1
99.02650	2.6
100.11255	1.8
104.10742	1.7
113.02677	3.5
114.07309	1.5
117.03677	2.7
117.07317	5.6
117.09135	2.1
118.03223	8.2
119.01614	5.8
121.03172	8.8
145.06801	29.4
147.04721	75.0
161.09915	5.2
165.05780	12.1
167.05553	1.0
169.03517	2.0
177.11012	1.0
189.09413	16.6
191.07339	13.9
193.92896	0.9
196.07333	15.4
205.12601	1.3
219.17351	2.5
221.08438	1.1
233.12000	3.7
235.09970	8.9
239.09456	9.9
265.11011	2.1
277.14688	2.4
284.29382	2.1
365.19974	8.0
480.63171	1.1
562.48053	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	563.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41623	0.7
53.03940	0.8
53.73409	0.6
54.88124	0.6
56.96560	2.2
57.03433	1.6
61.02921	1.3
62.93411	0.6
66.92375	0.6
69.03426	5.9
69.43087	0.6
69.61560	1.4
69.61944	1.6
73.02931	0.9
81.03404	1.5
84.96047	1.3
85.02901	10.8
87.04465	1.8
91.03929	0.8
95.04964	2.6
97.02900	4.8
98.97601	4.9
99.04462	1.4
109.02869	1.0
109.06522	0.8
110.97579	1.5
116.98644	1.5
126.66003	0.6
127.03937	3.3
128.98615	2.1
137.05975	2.7
138.57715	0.6
143.00226	0.6
145.04985	2.2
146.99637	0.8
147.04425	0.8
158.95334	0.6
158.99660	1.6
161.01244	0.9
165.05499	6.3
170.99663	1.0
174.99171	0.9
189.00714	1.4
193.01764	2.0
201.04164	2.2
210.04720	0.6
211.02800	2.8
219.01640	5.0
221.01273	2.5
237.02800	6.6
239.02298	6.6
256.17328	0.7
257.03345	2.4
261.02875	1.8
261.91672	0.7
263.02319	1.5
273.02704	0.7
279.03894	1.2
281.03406	2.4
283.06726	0.9
291.07245	3.2
292.07013	4.3
299.04404	0.6
301.02484	0.9
301.07721	1.5
319.03427	0.7
321.05087	0.8
333.66922	0.7
382.10187	14.5
382.60498	2.7
383.06958	1.3
401.07596	1.4
419.08658	2.0
489.95367	0.7
501.09344	1.6
503.10785	2.5
563.13696	100.0
564.14093	4.0
583.13068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07404	0.5
71.42629	0.6
76.18731	0.5
84.58389	0.5
201.40132	0.5
232.07794	0.5
301.06464	0.5
383.07510	0.7
428.64026	0.6
448.72104	0.5
563.13708	100.0
564.13965	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31849	2.6
59.04995	14.4
62.85946	2.0
69.03432	5.8
69.85737	6.8
75.10292	2.3
87.04463	12.3
89.34589	2.3
91.05516	3.6
105.07059	2.7
109.02906	7.2
109.08617	2.5
116.10727	5.5
118.69603	2.4
129.05498	3.6
130.54839	2.5
135.04408	4.9
145.06522	5.7
147.04422	4.1
159.08072	7.2
161.06038	3.9
165.07063	3.1
169.10045	2.3
171.08006	3.3
173.05992	5.2
175.07498	8.7
179.08559	3.0
183.08032	5.0
185.05956	5.9
187.07487	6.1
197.09625	4.6
198.06824	3.9
199.07526	17.0
201.09113	16.0
209.09529	5.5
211.07605	7.4
212.08348	4.6
215.10768	3.7
223.07571	3.4
224.08415	3.4
225.09117	21.9
227.07030	15.2
227.10669	5.3
229.00539	6.6
229.08572	27.3
235.07512	2.9
237.09065	2.9
238.09930	4.1
239.06999	4.0
243.10112	3.4
249.12712	3.5
253.08560	13.7
255.10097	8.4
261.11203	6.6
262.10007	3.0
265.08377	2.7
271.09595	5.3
277.12173	3.9
285.11234	3.0
293.11798	5.1
296.11932	4.0
299.08997	3.6
309.15097	4.0
315.10364	2.8
325.12100	4.4
336.11484	5.1
337.12286	4.6
339.10068	3.6
339.13968	3.9
349.12210	4.0
351.10001	3.0
352.10907	5.6
353.13712	2.7
355.13470	5.2
363.09918	3.8
365.11652	7.1
367.13330	8.1
371.15195	3.1
377.11816	6.6
378.12454	3.8
379.13284	8.5
381.11234	10.9
383.12701	3.6
391.13278	3.5
392.14124	6.5
395.12701	21.0
396.13385	3.9
397.14249	4.1
405.10965	4.2
407.16727	3.0
417.14703	4.7
421.14261	4.3
423.12195	21.9
424.12564	3.9
434.14963	5.6
435.15958	29.6
453.16815	17.4
455.14743	5.6
463.15378	16.8
467.18408	4.7
481.16443	42.4
495.18140	20.6
513.19080	100.0
514.19421	8.0
527.20538	6.8
531.20081	19.6
545.21375	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	563.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	56.5
62.94558	2.3
63.49857	2.5
69.50973	11.7
87.04461	100.0
91.05553	2.9
120.23048	2.3
137.05814	2.3
161.06026	4.1
182.07231	3.0
185.06023	3.2
187.07549	3.8
188.08243	5.7
198.06805	3.6
199.07599	11.4
201.09108	6.9
211.07509	4.1
212.08212	2.7
213.09056	4.5
225.09035	5.7
227.06900	4.4
229.00537	6.4
229.08525	5.4
242.09308	3.3
253.08467	3.8
255.10147	3.5
299.09140	2.9
329.11481	2.6
353.13962	4.4
395.12729	9.3
423.12292	3.6
427.15341	3.8
435.15909	6.9
445.17120	3.4
453.16925	5.0
463.15353	4.5
481.16397	11.6
499.17404	7.0
504.24750	2.7
513.19086	30.6
531.19849	10.1
563.35327	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	563.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
54.68658	4.2
59.04993	15.4
65.18137	4.2
69.03413	5.8
69.07011	5.3
69.52562	15.6
69.52985	7.3
87.04478	23.3
89.78942	4.8
105.07031	6.7
109.02879	8.9
115.05428	6.2
120.90807	4.3
145.06508	10.0
147.04404	8.3
155.08574	4.9
159.08015	6.8
161.06020	8.0
165.07011	4.3
166.07843	6.2
169.06441	5.7
173.06046	7.1
175.53532	5.4
177.54192	5.1
183.08044	5.3
185.06010	9.9
185.09593	4.9
187.07477	6.6
197.05949	5.0
197.09607	8.3
199.07578	29.8
201.09097	26.6
209.09560	7.0
211.07494	10.9
212.08345	8.7
217.01485	4.5
219.08075	6.4
225.09106	34.3
227.06989	25.6
229.08592	48.4
238.09964	6.7
239.07010	5.8
243.10056	6.7
249.12741	5.4
253.08498	23.3
255.10121	6.7
261.11319	15.0
277.12329	8.4
299.10199	6.0
308.11856	5.7
337.08368	6.0
337.12100	8.5
343.09341	5.1
349.12384	6.0
352.10919	7.2
353.13818	5.3
365.11655	9.8
367.13196	13.6
377.11517	4.9
381.11230	16.8
391.13281	5.1
392.13882	6.2
395.12842	28.0
396.13550	7.5
407.16605	7.3
423.12073	26.6
425.17416	6.2
435.15900	29.8
453.17041	25.5
455.14859	17.7
463.15479	9.4
481.16431	58.1
482.16815	6.4
495.17773	19.4
499.17294	19.1
513.19006	100.0
514.19482	8.0
531.20099	14.4
545.21906	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	563.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
53.16978	1.5
54.77782	1.7
59.04998	2.7
61.02665	1.5
69.03419	3.1
69.28182	3.4
69.28568	5.4
70.06586	3.6
72.34178	1.7
79.05486	1.9
81.03391	2.0
87.04453	4.0
91.05479	2.8
93.07022	1.8
97.02917	2.7
101.91987	1.5
109.02879	6.1
115.05441	2.0
116.07108	2.2
121.06490	3.9
128.06210	4.0
129.05457	3.3
129.07016	2.9
135.04411	5.8
139.56038	1.7
142.56691	1.6
143.08583	2.9
145.06483	5.3
147.04404	4.9
159.08084	3.0
161.05934	2.1
165.06935	2.2
166.07806	2.0
168.05617	1.9
169.06522	1.8
171.08083	3.4
173.05995	3.3
173.09615	1.5
175.07576	6.8
183.08034	5.6
185.05989	4.9
185.09470	1.7
187.07590	4.9
195.08083	2.2
196.08746	2.1
197.05977	2.4
197.09541	3.9
198.06792	3.3
199.07544	12.3
200.08206	1.6
201.09106	12.3
209.09561	4.0
211.07599	6.6
212.08266	6.0
213.09155	3.1
219.07971	3.4
223.07550	2.5
225.09079	16.8
227.07053	12.1
227.10626	5.5
229.08572	24.9
233.09639	2.0
234.10503	2.0
235.07491	3.7
237.09081	5.0
238.09781	3.2
243.10094	2.6
249.09166	2.0
249.12849	2.5
253.08527	13.4
255.10135	6.8
261.11243	5.7
262.09918	3.1
262.57278	1.7
265.12326	3.1
271.09622	3.0
277.12250	3.4
281.08127	2.8
285.11343	2.9
299.09283	6.6
304.69827	1.6
305.11887	1.9
308.11829	1.9
309.14957	3.2
312.11237	2.7
315.09995	3.5
317.12067	1.6
322.09732	2.4
323.10550	3.2
327.10123	2.1
327.13974	2.2
328.10666	2.2
335.10416	2.4
336.11420	4.2
337.12408	3.6
339.13605	3.1
343.09491	2.5
349.12259	5.5
350.13110	2.7
351.13901	1.9
352.10889	5.2
353.11252	1.7
353.13885	6.4
355.13239	4.0
363.09875	3.1
364.10721	2.6
365.11688	4.4
366.12228	2.6
367.13150	6.1
371.15063	3.0
377.11588	5.7
378.12360	2.8
379.13315	5.0
381.11157	3.3
383.12677	4.4
391.13254	3.9
392.14078	4.9
393.10834	1.9
393.15396	2.1
394.12131	3.4
395.12704	17.7
396.13269	1.8
397.14365	4.4
402.12198	2.1
405.11063	2.5
407.12100	2.8
407.16730	3.9
409.13864	2.4
417.14789	4.0
419.12747	3.4
421.13867	1.9
423.11969	12.9
434.14969	4.3
435.15887	31.7
436.16602	1.7
437.13440	2.3
451.15497	1.7
453.16953	10.6
455.14838	4.9
463.15475	16.1
467.18301	5.8
481.16479	30.4
485.19824	2.2
495.17972	21.9
513.19055	100.0
514.19482	5.3
527.20441	6.0
531.20190	23.7
532.20447	2.5
545.21777	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	563.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17839	1.3
54.22307	1.3
57.70262	1.4
59.04998	57.8
61.19935	1.2
61.46337	1.4
69.03458	2.3
69.25929	7.9
73.02912	1.5
81.07023	1.2
87.04459	100.0
91.05489	1.4
97.02897	1.5
98.23435	3.2
109.02850	2.6
128.26637	1.3
143.08571	1.7
145.06487	2.4
156.47244	1.3
156.51488	1.2
159.08022	1.8
160.08835	2.0
171.07951	1.7
175.07550	2.6
182.07330	1.5
187.07579	5.3
188.08360	6.4
189.09113	2.5
195.08095	1.6
199.07550	6.2
201.09109	6.4
211.07562	1.8
212.08315	3.0
213.09016	2.5
225.09055	6.8
227.07066	3.0
229.00487	2.3
229.08519	3.3
237.09068	1.4
242.09366	2.2
253.08609	4.1
255.10277	4.3
274.11969	1.5
299.09045	2.1
337.12448	1.7
352.10873	1.7
353.13699	2.6
363.13828	2.0
364.10748	1.8
371.15042	1.9
377.11526	1.7
381.11145	2.9
395.12781	4.4
398.15222	1.4
417.14789	1.7
423.12177	4.5
427.15604	3.0
435.16129	7.8
445.16580	3.7
453.16830	5.1
463.15375	4.7
481.16489	11.9
484.18921	1.6
495.18018	8.6
499.17670	3.3
513.19092	33.8
514.18793	2.0
531.20117	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	564.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05518	3.0
67.05492	7.1
69.03428	11.7
69.07058	24.4
70.06590	5.7
71.05003	3.6
71.43586	4.6
73.05424	2.8
79.05485	17.2
81.03403	5.0
81.07056	14.3
83.04976	59.7
85.02914	9.9
85.06544	4.8
91.05475	17.7
93.07037	23.3
95.04970	12.1
95.08592	4.5
97.06525	56.8
99.04457	14.5
101.05997	3.6
105.07012	46.6
107.04954	8.0
107.08598	11.2
109.06536	15.5
117.07039	13.6
119.04953	11.5
119.08580	13.9
121.06496	37.5
123.08104	4.1
125.05984	94.2
127.07515	6.4
129.07005	5.6
130.07788	5.7
131.08565	12.5
133.06471	7.4
133.10124	5.0
135.08054	3.6
135.11699	4.2
137.05980	8.0
139.07539	9.4
143.07022	85.8
143.08615	7.8
145.02861	5.1
145.06523	11.2
145.10126	79.7
145.11241	5.9
147.11734	6.5
151.07550	13.6
155.08588	3.9
157.08620	11.3
158.07288	9.5
159.08051	9.6
159.11681	37.4
163.11176	23.6
169.10172	10.2
172.08873	6.0
173.09625	65.6
177.05484	10.2
177.12726	17.2
187.11171	70.9
189.12749	4.3
191.10657	26.8
197.09567	15.2
205.12233	82.2
209.11874	5.7
215.10667	84.4
216.11034	3.9
223.13303	9.9
233.11713	100.0
251.12770	31.8
269.13821	13.6
372.72528	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	564.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.5
58.69428	1.8
60.71275	2.3
67.05502	7.5
69.03430	11.5
69.07063	25.0
69.62666	4.6
69.63067	4.5
71.04998	5.8
73.06557	3.1
79.05483	14.3
80.11999	2.2
81.03422	3.3
81.07050	7.0
83.04974	65.0
85.02894	7.3
85.06576	3.0
85.49430	1.9
91.05467	13.5
93.07039	14.4
95.04977	7.0
95.08575	3.8
97.02881	5.1
97.06527	46.2
99.04446	13.1
105.04475	2.4
105.07022	43.5
107.04962	6.7
107.08582	9.1
109.06497	11.4
115.05420	2.3
117.03338	3.5
117.07030	9.6
119.04997	2.4
119.08572	5.8
121.06506	32.1
121.10116	2.5
125.05983	100.0
128.06302	2.4
129.06985	4.3
130.07791	7.9
131.08528	13.7
133.06465	11.2
133.10098	3.8
135.04474	5.4
135.08017	2.6
135.11708	3.9
137.05959	5.9
139.07523	2.7
141.07095	3.5
143.07027	82.4
143.08517	7.2
144.09338	5.8
145.06497	10.0
145.10117	70.0
147.07980	2.2
147.11554	3.5
151.07501	13.4
155.08554	3.9
156.09445	2.7
158.07202	11.8
159.03079	2.0
159.08055	6.7
159.11682	28.3
163.03938	16.4
163.11133	20.9
164.54260	2.5
169.10175	6.5
172.08852	5.6
173.09604	61.3
177.05505	3.3
177.12750	15.4
187.11172	55.2
189.12766	3.9
191.10666	27.5
197.09624	8.5
205.12225	56.4
205.14055	4.1
209.11720	6.1
215.10669	62.5
216.11015	2.9
233.11722	57.2
233.13943	4.2
236.14864	2.4
251.12770	21.0
396.86539	2.4
411.25183	2.1
463.03494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64991	5.9
53.65275	5.6
55.01862	11.0
55.05501	29.0
57.03431	20.9
65.03942	6.0
67.05495	56.6
69.03414	18.9
69.07063	37.4
69.12745	46.3
79.05493	56.1
81.03422	17.6
81.07050	94.1
83.04976	8.4
83.08618	17.7
85.02890	12.8
91.05474	53.0
93.07032	78.9
95.04966	16.7
95.08615	31.9
97.02886	11.2
97.06515	20.7
97.10140	9.3
98.23516	11.2
99.08044	9.6
105.07033	33.2
107.04958	10.0
107.08589	47.7
109.10114	11.4
111.08037	10.5
117.07024	27.5
119.08570	27.9
121.06470	7.5
121.10156	19.6
123.08070	7.2
123.11751	9.6
127.03864	8.3
131.08546	30.2
133.10126	25.5
135.11662	31.5
145.10130	21.0
147.11697	11.0
149.09612	21.0
149.13246	14.2
159.11700	34.4
163.11172	9.7
171.11810	6.8
173.13310	6.9
177.12727	23.2
179.14320	15.9
195.13814	9.9
209.34982	6.6
255.15862	66.5
257.18954	9.1
269.17435	100.0
275.20020	47.3
288.02774	6.8
314.66718	6.6
327.03845	6.5
331.26483	6.5
349.23740	75.0
367.24881	12.9
467.90073	6.0
544.80121	6.9
565.25977	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	564.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66003	7.4
55.05524	9.3
57.03425	8.4
67.05505	77.1
69.07058	23.2
69.13699	30.0
69.14109	18.8
78.65855	6.5
79.05493	48.9
81.07052	71.4
83.08652	8.1
90.73723	7.3
91.05485	31.6
92.48090	10.0
93.07024	56.7
95.04962	8.3
95.08624	42.7
95.65699	9.3
105.07026	17.0
107.08600	26.4
107.31377	8.1
109.10171	14.0
117.06996	13.6
119.08629	18.4
121.06506	8.5
121.10151	24.0
123.11750	9.1
129.10544	6.9
132.43887	6.5
133.10110	9.2
135.11693	15.0
147.11728	7.9
149.13251	31.9
159.11717	13.2
175.11197	24.0
177.12749	75.5
186.34799	8.2
219.13840	45.1
241.12112	9.3
261.22064	14.6
269.17453	77.1
319.90152	7.6
327.19589	18.4
335.25833	88.9
369.24197	7.9
421.81851	8.6
529.38812	100.0
530.39410	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	565.1533
Annotation	Apiin
Peak:m/z	Relative Intensity
64.26492	0.6
69.95930	1.1
78.56934	0.5
85.02943	0.7
98.15431	0.6
131.27280	0.7
152.64746	0.6
356.01389	0.7
428.60040	0.7
565.15308	100.0
566.15808	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	565.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98195	1.2
52.89193	1.2
53.03925	2.3
55.01864	1.9
56.96560	4.1
57.03432	2.7
60.95852	2.6
61.02925	5.3
69.03424	13.4
70.02332	4.3
70.02687	1.3
70.03773	1.2
71.04990	3.0
73.02900	2.4
81.03408	5.8
81.07023	1.5
83.01321	1.7
84.04597	1.2
84.96027	3.5
85.02897	26.5
86.03238	2.5
86.09700	57.2
86.10226	2.8
86.23338	1.3
87.04466	3.6
88.95303	2.0
91.03960	2.0
91.05476	1.4
95.04942	7.1
97.02884	10.9
98.03223	2.5
98.97558	7.0
99.04453	1.5
102.96869	2.0
109.02883	3.9
109.06496	3.3
110.97632	2.7
114.96855	1.5
116.98613	4.1
119.04958	1.5
120.97868	2.4
127.03916	6.9
128.98590	4.0
132.10196	67.1
136.36282	1.2
137.05977	6.1
138.06323	1.8
145.02875	3.6
145.04939	6.5
146.99619	2.4
154.52617	1.3
157.13354	13.5
158.99704	2.5
161.01216	1.7
162.98875	1.4
165.00555	1.2
165.05467	13.8
166.05846	2.4
167.07140	2.1
173.02745	1.4
174.99036	2.1
177.00735	1.9
177.05450	3.0
185.12866	2.9
197.01135	1.8
201.54306	1.7
203.03783	4.1
203.13901	100.0
204.14270	3.3
206.21979	1.3
209.94553	1.3
211.02750	3.5
215.02075	5.2
219.01802	6.1
220.01990	1.2
221.01230	1.6
223.01041	3.6
225.00424	1.7
229.03825	1.6
237.02914	6.6
238.03072	1.8
239.02194	6.0
240.02597	2.6
241.02153	4.1
243.01688	3.5
257.03445	2.9
258.03772	2.0
261.02509	2.8
281.03299	2.2
292.07465	1.7
292.57358	2.1
293.07376	3.3
293.57758	2.5
294.06699	4.0
303.03680	1.7
382.10110	3.4
382.60434	5.7
383.10617	8.1
383.60645	10.4
384.10016	17.9
384.59985	3.8
401.07413	1.8
405.06683	1.8
419.08829	1.7
421.09283	1.7
423.07626	1.7
424.08417	1.5
503.10034	1.8
507.09976	1.9
565.14581	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	565.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.05489	0.2
58.18316	0.2
67.05495	0.2
69.03422	0.2
69.07057	0.3
71.33883	0.2
79.05495	0.3
81.03419	0.2
81.07035	0.3
83.08600	0.2
85.02916	0.3
85.06532	0.3
87.00829	0.2
91.05459	0.3
93.07041	0.3
95.08604	0.8
105.07006	0.2
107.04952	0.4
109.02843	0.2
109.10142	0.4
111.08112	0.3
119.08600	0.2
121.02822	0.3
121.06474	0.4
121.10132	1.2
133.06505	0.9
137.38011	0.2
141.07001	0.2
145.06468	0.6
147.08057	2.0
149.09601	0.4
157.06438	0.2
159.08035	1.4
161.05988	0.6
161.09598	0.5
163.07527	4.5
163.11191	0.6
164.07745	0.2
167.96030	0.2
171.08032	4.3
171.09413	0.3
173.09607	1.1
175.07675	0.2
175.11217	0.7
177.09018	0.2
179.08516	0.3
183.08052	0.3
185.09569	0.7
187.07541	0.6
187.11140	0.5
188.08391	0.2
189.09068	0.7
189.12700	0.5
191.10611	0.2
195.08131	0.2
197.09579	0.8
198.10390	0.6
199.11172	0.5
201.09036	0.2
201.12686	0.6
203.10628	2.5
205.12207	0.7
211.11215	0.3
213.12721	9.4
214.13097	0.3
215.10654	0.5
215.14323	0.4
225.12720	0.2
227.14322	0.6
229.12306	0.4
239.14218	1.0
257.15366	0.5
275.16409	6.7
275.19452	0.3
276.16830	0.2
299.20032	3.4
300.20059	0.2
317.21069	100.0
318.21408	3.2
521.19781	0.3
547.25287	0.3
565.12787	0.3
572.29926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05499	9.1
57.07069	6.2
60.42276	2.7
67.05498	18.5
69.03411	4.4
69.07061	14.2
79.05507	19.3
81.07043	28.3
83.08630	5.4
83.95914	3.1
89.68822	3.4
91.05466	35.0
93.07048	44.4
95.04956	10.9
95.08599	26.2
97.06530	6.8
103.05463	4.3
105.04501	3.3
105.07023	57.4
105.63345	2.9
107.08588	34.0
109.06509	5.7
109.10123	17.1
113.27017	3.2
117.07001	10.9
119.08564	57.5
121.06495	5.3
121.10141	48.1
122.81769	2.7
123.08080	10.3
123.11717	9.0
128.06216	7.3
129.06995	12.4
130.07791	4.3
131.08539	26.6
133.10129	40.7
135.08017	7.4
135.11708	9.3
141.07004	6.3
142.07767	14.3
143.08546	27.0
144.09355	4.1
145.10121	45.6
147.08044	6.7
147.11668	11.0
149.09615	5.6
151.07452	3.5
155.08521	15.1
156.09341	15.5
157.10135	43.4
159.08014	3.9
159.11674	18.6
161.13214	4.9
163.11252	4.6
165.07047	5.5
165.09195	16.3
165.10312	3.2
167.08519	9.0
167.10675	25.6
168.09399	3.2
169.10141	24.5
170.10855	7.3
171.11671	24.0
173.09734	3.7
173.13255	22.2
175.14812	6.0
179.08574	8.0
180.09311	5.5
181.10135	10.7
181.12172	4.4
182.10895	9.4
183.11673	20.2
185.13275	12.2
187.14781	5.0
189.12790	3.9
191.14348	4.0
192.09218	4.3
193.10133	14.9
194.10905	7.1
195.11674	16.1
196.12444	3.5
197.13242	17.0
199.14757	10.6
203.14330	8.3
205.10007	4.7
206.10889	5.8
207.11729	16.6
207.13629	4.6
208.12517	4.4
209.13243	19.4
211.14859	11.2
215.14212	3.9
219.11670	6.9
220.12506	4.3
221.13229	8.0
221.15329	15.5
223.14809	10.3
230.10851	4.3
232.12482	4.2
233.13173	8.5
233.15388	11.5
235.14824	9.7
237.16391	4.6
245.13217	7.5
246.13951	3.6
247.14693	8.6
249.16501	3.7
251.17856	4.3
253.19577	6.9
259.14755	4.6
261.16229	4.3
263.18005	4.1
265.19482	9.4
275.17911	9.5
277.19437	4.1
282.27905	10.2
310.30966	8.5
473.34091	12.9
485.34515	3.5
547.39117	10.6
565.25720	4.5
565.40387	100.0
566.40723	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	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.1
57.07067	5.0
65.03943	3.5
67.05518	13.1
67.90210	2.3
69.03440	4.3
69.07057	13.4
71.09659	2.9
77.03944	2.6
79.05108	2.1
79.05492	15.0
81.07049	24.6
81.24851	2.1
83.05029	3.2
83.08614	5.5
85.06551	2.1
91.05480	32.1
93.07040	32.7
95.04977	10.1
95.08608	31.6
97.06565	2.6
98.23727	1.8
105.04507	2.0
105.07022	55.6
107.08594	26.7
109.06531	4.1
109.10152	19.6
111.08039	2.3
115.05441	4.6
117.07023	10.0
119.08573	60.2
121.06456	2.0
121.10139	43.8
123.08099	9.6
123.11707	5.9
125.06051	2.4
125.09745	2.2
128.06239	8.6
129.06992	12.7
130.07823	5.3
131.08556	21.9
133.10112	35.6
135.08049	5.4
135.11687	12.6
137.09621	4.4
139.11194	2.6
141.06984	5.9
142.07767	12.9
143.08548	27.0
144.09369	5.6
145.10115	39.3
147.08072	7.6
147.11661	10.3
149.09608	5.4
149.13301	3.2
151.07538	6.6
155.08571	10.8
156.09335	16.8
157.10126	39.2
158.10948	4.5
159.08191	2.7
159.11668	19.0
161.09621	4.0
161.13301	5.7
163.11234	7.6
165.07034	5.8
165.09094	17.6
167.08623	9.9
167.10703	10.0
168.09384	3.6
169.10117	19.3
169.42229	2.1
170.10924	4.2
171.11673	24.4
172.12486	2.2
173.13245	20.9
175.14909	4.9
178.07736	2.7
179.08522	4.7
180.09335	3.8
181.10158	14.0
181.12291	2.8
182.10976	7.1
183.11636	21.0
184.07320	3.1
185.13219	17.3
187.14857	6.8
192.09343	2.3
193.10190	11.2
194.11006	8.3
195.11693	19.1
196.12515	5.4
197.13292	15.4
199.14832	14.4
201.12802	2.6
201.16475	3.0
203.14372	6.6
206.10942	4.7
207.11717	14.6
207.13686	4.3
208.12534	4.9
209.13264	22.7
211.14891	9.1
213.16370	5.5
217.10205	2.9
219.11781	6.5
220.12489	3.8
221.13284	13.7
221.15422	28.8
222.13997	3.9
223.14813	16.3
225.16418	3.6
231.11736	3.3
232.12442	4.8
233.13246	8.6
233.15396	4.4
234.14154	4.4
235.14886	9.3
237.16437	9.2
239.18028	3.2
244.12404	2.6
245.13289	7.5
246.14027	6.3
247.14819	9.4
247.17062	2.9
249.16457	6.1
251.17990	5.8
253.19551	4.8
257.13300	3.5
258.14078	3.4
259.14767	5.5
260.15628	4.9
261.16492	8.8
263.18002	7.1
265.19553	8.4
269.19199	3.1
271.14737	3.6
273.16376	4.8
274.17136	4.7
275.17957	5.5
277.19525	4.9
282.27902	6.6
283.20691	3.5
287.17819	5.0
289.19693	4.8
291.20999	3.9
291.66095	2.4
299.17731	2.8
301.19498	4.0
310.31061	4.8
315.21136	3.2
325.19598	3.3
329.22519	2.6
331.24283	5.5
339.38593	2.3
341.86038	2.2
357.25775	6.2
470.95969	2.6
473.34021	18.0
529.38391	2.3
529.71021	2.2
547.39270	13.0
565.40393	100.0
566.40851	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	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05502	10.7
57.07069	4.6
59.04972	2.5
65.03922	2.4
67.05494	17.7
69.03420	3.7
69.07060	13.9
69.87848	3.0
69.88229	4.1
79.05493	22.8
81.07056	28.3
83.04972	2.9
83.08616	6.2
85.06529	3.0
91.05468	33.5
93.07039	35.6
95.04971	10.7
95.08598	23.4
97.06528	4.6
98.03631	1.6
99.28703	1.4
103.05472	3.3
105.04511	2.5
105.07022	60.0
107.08592	32.1
109.06519	6.8
109.10175	13.5
111.08059	2.2
111.11718	1.6
115.05472	3.1
117.07024	11.9
119.08573	53.3
119.09429	3.0
121.06532	4.9
121.10132	47.0
121.10995	3.1
123.08068	7.5
123.11669	8.0
125.05978	2.8
128.06219	6.7
129.07002	10.8
130.07767	3.6
131.08556	23.6
133.10117	34.8
135.08032	6.2
135.11699	10.5
137.09573	5.0
141.06989	7.0
142.07739	14.4
143.08539	26.4
144.09348	4.1
145.10106	35.4
147.08060	8.4
147.11661	11.8
149.09622	5.7
149.13329	1.7
151.07523	3.0
153.06989	2.8
154.07730	2.6
155.08546	12.6
156.09329	15.2
157.10120	34.3
158.10873	4.5
159.08012	1.8
159.11684	17.6
161.09641	3.6
161.13264	5.5
163.11118	4.1
165.07024	6.1
165.09103	10.1
166.07750	3.1
167.08568	6.8
167.10686	21.6
168.09383	7.0
169.10100	20.0
170.10915	7.3
171.11673	21.8
173.09576	2.1
173.13251	18.5
175.14835	7.2
178.07669	2.3
179.08514	10.9
180.09358	5.3
181.10123	9.8
181.12250	2.4
182.10913	6.7
183.11641	20.6
185.13226	11.7
187.11227	2.9
187.14803	7.3
189.12746	4.4
191.08647	3.5
191.14307	2.8
192.09309	4.5
193.10098	10.9
194.10883	7.9
195.11748	13.9
196.12410	4.4
197.13229	13.6
199.14894	10.0
201.16348	5.2
203.14331	3.3
205.10112	4.9
206.10901	7.0
207.11720	13.8
207.13495	2.7
208.12463	6.9
209.13268	17.2
209.15224	3.4
210.14061	2.3
211.11113	1.9
211.14856	7.5
213.16307	4.0
215.14320	3.7
217.10075	4.1
219.11688	6.2
220.12491	4.7
221.13255	14.2
221.15390	22.3
223.14807	10.2
225.16359	4.0
227.14143	1.7
231.11739	4.3
232.12570	4.4
233.13223	10.4
233.15399	8.1
234.14023	3.4
235.14810	7.6
237.16356	6.8
239.17924	5.2
241.19397	1.7
243.11780	3.8
244.12155	1.9
245.13242	5.4
246.14056	2.7
247.14857	6.7
247.17107	3.8
248.15578	2.1
249.16377	3.2
251.17969	5.7
253.19560	3.9
258.13989	3.1
259.14828	7.1
260.15579	2.6
261.16376	7.5
262.17136	2.0
263.18015	2.8
265.19550	6.8
269.13324	2.3
271.14795	4.0
272.15424	2.2
273.16281	4.3
275.17896	6.5
275.39450	1.6
277.19473	3.6
282.13766	1.6
282.27679	2.1
283.14999	2.2
283.20438	2.5
285.16147	2.8
286.17047	1.9
287.17709	2.5
289.19504	4.1
297.16177	2.6
301.19318	3.5
310.31088	3.2
315.20923	2.3
317.22766	2.2
327.21295	1.9
329.22845	1.8
331.24265	4.8
333.25659	1.5
347.23990	2.1
355.24234	1.9
357.25766	3.5
359.23676	3.3
361.25458	2.2
385.29074	2.7
385.34482	1.8
393.18286	1.8
407.27783	1.7
425.28323	2.9
473.34030	11.8
547.39417	10.1
565.40320	100.0
566.40717	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03932	2.1
55.05503	8.2
57.07076	5.4
59.05000	1.5
61.74059	1.3
65.03922	2.4
67.05503	17.8
69.03416	4.0
69.07067	11.3
69.62169	1.3
69.90626	3.2
69.91010	3.1
70.79661	1.3
71.08611	1.4
77.03925	2.1
79.05486	15.8
81.07055	22.2
83.04988	3.4
83.08620	5.6
83.16366	1.5
85.06543	3.7
91.05477	26.6
93.07043	34.2
93.60364	1.4
95.04957	9.3
95.08609	27.3
97.06535	2.9
103.05476	3.5
105.04537	2.0
105.07027	53.2
107.08587	30.1
107.09251	2.0
109.06525	6.0
109.10154	17.0
115.05466	4.7
116.06174	1.8
117.07004	13.0
119.08567	51.6
121.06465	1.7
121.10143	46.0
122.07235	1.3
123.08075	8.8
123.11736	6.1
125.06004	1.4
128.06215	6.7
129.07014	11.8
130.07794	4.8
131.08545	19.3
133.06494	1.6
133.10126	31.2
133.11124	2.0
135.08028	7.0
135.11667	13.3
137.09657	6.3
139.07549	1.5
139.11174	1.9
141.07024	8.8
142.07785	14.1
142.76744	1.4
143.08551	25.2
144.09392	3.9
145.10117	32.1
147.08052	9.6
147.11699	11.9
149.09650	4.5
151.07568	5.8
151.11256	1.5
153.06985	3.6
154.07808	2.2
155.08517	10.6
156.09357	11.5
157.10136	36.3
158.10883	4.7
159.08051	2.6
159.11697	19.6
161.09688	3.3
161.13268	5.2
163.11189	5.1
165.06992	5.3
165.09103	17.6
166.07779	2.3
167.08551	7.9
167.10709	6.5
168.09361	5.1
169.10114	19.9
170.10924	5.7
171.11684	24.0
171.13048	2.1
172.12544	2.7
173.13280	20.2
175.11205	2.0
175.14859	4.9
179.08585	8.9
180.09378	3.1
181.10104	11.8
181.12241	4.7
182.10971	6.3
183.11681	16.9
184.12453	3.5
185.09685	1.8
185.13235	14.4
187.11285	1.7
187.14871	4.1
189.12779	3.7
191.08673	1.6
191.14430	2.8
192.09389	4.2
193.10132	10.6
194.10866	8.3
195.11664	18.8
196.12517	4.3
197.13243	16.9
198.13983	1.9
199.11227	2.1
199.14822	9.7
201.12790	1.4
201.16476	3.9
203.14291	6.6
205.10150	3.7
206.10912	6.6
207.11736	13.9
207.13812	3.7
208.12509	5.7
209.13257	18.9
209.15186	2.4
210.14006	3.3
211.11192	1.7
211.14764	8.8
213.16441	1.8
213.25330	1.4
217.10210	4.9
217.15865	2.4
218.10983	3.4
219.11751	5.6
220.12433	4.3
221.13266	13.3
221.15419	33.6
221.17429	2.4
222.13989	3.2
223.14864	9.9
224.15585	2.4
225.16406	3.9
229.10388	1.9
230.10927	2.2
231.11768	5.3
232.12517	3.0
233.13274	10.1
233.15440	3.4
234.14096	3.5
235.14760	10.8
236.15562	2.4
237.16353	7.3
239.17967	4.5
243.11720	2.6
244.12482	2.1
245.13292	3.8
246.14111	3.9
247.14847	6.5
247.17133	2.5
248.15628	3.5
249.16422	4.4
251.18019	4.0
253.19556	3.4
257.13354	2.5
258.14182	2.5
259.14841	5.4
260.15573	5.2
261.16278	9.0
263.14365	1.7
263.18008	7.6
265.19382	7.9
267.21167	1.8
269.13193	1.8
271.14798	3.4
273.16470	5.2
274.17023	2.0
275.17886	6.8
277.19510	5.6
279.21082	2.0
281.29208	1.6
282.28152	3.4
283.20538	2.7
285.16309	2.2
286.17090	1.6
287.17752	2.9
289.19522	4.3
291.21130	2.9
295.20667	1.7
299.17621	2.9
301.19336	1.7
303.21051	2.2
310.30984	2.8
315.21274	2.4
317.22577	2.9
329.22723	2.6
331.24329	5.0
351.23129	1.5
357.25919	4.9
365.24777	2.4
377.24701	1.5
382.36426	1.5
385.29019	2.5
401.28381	1.7
473.34216	12.0
485.34348	2.3
547.39392	11.1
565.40387	100.0
566.40533	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01865	5.7
57.03427	7.2
59.70411	1.1
61.02914	6.0
62.59134	1.1
67.51064	1.3
68.99777	2.1
69.03426	43.1
70.57155	3.1
71.04998	5.9
73.02915	6.6
81.03412	27.1
83.04969	1.4
85.02900	100.0
86.03246	1.5
87.00827	51.0
91.03923	1.6
97.02891	49.7
99.04454	15.6
105.01862	85.5
109.02878	39.5
117.01796	2.3
118.13264	1.0
121.06525	7.0
127.03908	98.8
128.04298	2.1
129.01854	3.4
145.04950	52.6
147.02893	2.9
159.02867	12.6
163.03877	2.3
175.98935	1.2
189.03957	3.8
200.63930	1.2
213.03889	11.7
231.04984	43.1
232.05397	1.5
249.06029	21.7
253.07112	5.1
271.08026	3.0
393.10107	1.5
569.98798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01862	6.3
55.38477	1.0
57.03436	6.3
60.19352	1.1
61.02917	7.1
64.83005	1.0
68.99792	3.3
69.03065	2.0
69.03425	36.7
69.03803	2.2
70.06577	1.7
70.71714	2.5
71.04990	4.0
73.02908	5.8
81.03405	19.9
81.48663	1.0
83.01325	1.2
85.02895	100.0
86.03244	1.1
87.00823	41.3
88.05723	1.1
89.03899	2.1
91.03953	1.0
91.05473	2.9
93.07047	2.0
95.04956	2.2
97.02885	30.2
99.04443	13.3
103.03919	6.4
103.05466	1.8
105.01858	59.1
109.02867	27.6
115.03922	1.5
117.01870	2.2
117.03368	4.7
117.06995	2.4
121.06490	21.9
127.03903	66.1
129.01869	3.3
131.08612	1.3
144.06718	1.1
145.02863	13.0
145.04939	21.3
145.06421	5.3
147.02943	2.7
149.05962	1.2
149.58037	1.1
155.08531	1.0
159.02888	9.5
159.08038	2.6
163.07549	5.5
171.02849	1.8
173.04601	1.5
173.06020	5.0
175.03807	1.4
177.05434	16.2
181.04933	6.3
183.08083	2.4
187.07515	10.0
189.03932	19.5
201.09120	1.9
205.08588	12.9
207.06570	2.8
211.05894	1.3
211.07671	2.8
213.03941	3.9
223.88628	1.4
229.08604	15.6
231.04980	21.1
247.09630	11.3
249.06033	8.5
333.09692	5.5
351.10803	1.7
369.11676	7.0
375.09097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01862	5.3
57.03447	6.6
61.02932	7.5
61.03194	1.2
63.70587	1.0
68.99797	2.7
69.03429	33.5
70.06575	1.4
70.71841	1.8
71.04989	3.3
73.02911	5.6
81.03411	26.5
83.01339	1.2
83.71716	1.1
84.08173	1.1
85.02903	100.0
86.09721	1.3
87.00829	36.4
87.04468	1.4
89.03896	2.5
91.03961	2.6
91.05499	2.9
93.07043	3.1
95.04956	2.5
97.02885	30.0
97.03484	1.8
97.06525	1.1
99.04451	11.6
103.03935	11.2
103.05459	1.9
105.01863	49.3
109.02879	24.7
117.01926	2.4
117.03365	2.8
117.07040	1.4
121.06503	34.1
127.03913	62.4
129.01820	4.4
131.04906	1.2
135.08023	1.5
145.02925	7.0
145.04950	20.8
145.06487	7.5
147.02904	4.2
149.05975	2.1
155.08490	1.3
157.06552	1.4
159.02898	11.7
159.08061	1.4
163.07504	7.8
171.02892	2.9
173.05991	3.4
175.07544	1.6
177.05455	14.4
181.04977	5.7
183.08087	2.4
187.07547	12.8
189.03946	21.3
191.07031	1.3
201.09067	3.5
205.08585	16.3
211.07565	4.6
213.03926	3.2
229.08617	21.3
231.04999	20.2
231.06998	0.8
247.09671	14.5
248.69644	1.1
249.06067	8.2
315.08557	3.4
333.09622	9.0
351.10687	3.6
369.11832	10.0
444.52347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05025	0.6
58.06376	0.2
58.06622	0.5
59.07385	0.2
60.08160	6.2
70.06568	0.3
71.07369	3.5
72.08439	0.2
81.07036	0.5
86.09699	33.7
87.10028	0.4
93.07079	0.2
95.08608	0.2
98.98465	3.5
104.10735	4.0
111.04469	0.2
124.99995	23.0
137.05968	1.1
145.90479	0.2
162.11784	0.2
184.07327	100.0
185.07697	1.0
258.11063	0.4
277.17963	0.2
351.21741	0.2
534.28027	0.3
548.29999	0.7
566.30865	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	567.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10448	2.8
67.21006	2.7
69.16025	21.4
89.03923	13.3
98.23531	5.3
104.45538	2.8
117.03390	22.2
129.95282	2.9
139.51352	3.4
145.02837	47.2
149.05997	7.7
158.57910	3.0
171.06374	3.5
177.05458	100.0
178.05882	3.8
180.92404	3.3
181.04918	18.2
193.17827	3.5
295.88290	3.5
326.09387	3.0
449.74347	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	567.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66290	1.9
69.20615	13.0
74.22423	1.9
78.04681	1.9
81.72271	1.9
89.03914	20.7
91.90627	1.9
117.03381	30.4
134.03590	2.5
145.02846	74.0
146.03145	2.1
149.05969	11.5
177.05466	100.0
178.05757	2.9
181.04974	14.7
219.62082	1.9
232.45963	1.9
264.99905	2.1
347.04807	2.3
362.98431	2.1
496.23883	2.2
567.15668	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	567.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26729	0.3
53.03946	0.3
54.88948	0.2
56.05032	8.8
57.03426	0.2
61.01146	7.7
67.05476	0.3
69.33742	0.7
69.34150	0.7
70.02944	1.0
79.05482	0.4
81.07033	0.4
85.71658	0.3
86.09695	3.3
88.03985	7.2
91.05469	1.9
93.07037	1.4
95.04955	0.3
98.06052	5.5
98.22659	0.6
100.07657	0.3
100.11238	0.6
102.04610	0.3
103.05456	4.7
104.05319	17.6
107.17062	0.3
109.10111	0.4
110.35284	0.3
120.08096	100.0
121.08422	1.3
130.06520	3.8
132.10204	1.5
144.08084	0.9
146.06334	14.1
150.42941	0.3
172.07590	1.0
173.13280	0.5
174.05832	14.5
175.08662	3.2
176.07030	0.4
182.15375	0.8
190.08601	1.2
200.07088	0.4
210.14912	0.7
217.09760	1.4
218.08076	0.6
235.10754	15.4
236.11237	0.4
263.10233	5.6
279.17017	6.4
280.17319	0.3
289.08490	12.7
289.11713	0.6
330.18069	0.8
373.94113	0.3
376.18692	0.7
394.19687	0.4
408.15912	2.1
436.15182	1.1
449.24417	0.3
519.92792	0.3
567.27374	1.4
567.36633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01871	4.4
55.05506	5.6
57.03426	3.3
57.07088	0.9
59.24310	0.7
60.59544	0.8
61.02930	1.9
67.05497	2.7
68.99770	1.2
69.03424	14.4
69.07053	2.7
69.39088	0.8
69.72789	1.7
69.73138	1.5
71.04988	1.8
73.02917	3.2
78.04689	0.7
78.71422	0.6
79.05489	2.1
81.03412	17.8
81.07048	5.5
83.04973	16.4
85.02900	25.5
87.00823	12.7
91.05489	3.4
93.07050	3.2
95.08590	5.7
97.02882	9.7
99.04446	6.7
99.08086	3.0
105.01864	5.2
105.06993	7.1
107.08601	4.3
109.02873	17.9
109.06490	1.2
109.10149	3.4
111.08070	1.6
115.07549	0.8
117.01848	3.5
119.04965	0.9
119.08571	61.9
121.10115	3.9
123.11694	1.3
125.09641	1.3
127.03905	23.9
129.01863	1.0
131.08528	1.3
133.10127	13.1
135.11696	2.2
139.11061	0.8
145.02844	2.0
145.04947	8.2
145.10132	2.1
147.02876	0.8
147.04407	1.5
147.11685	8.2
149.13322	0.8
151.11180	1.0
157.10100	0.8
159.02870	12.2
159.11755	1.0
161.13231	1.3
165.12766	1.5
167.07085	2.2
173.13271	4.1
175.03908	1.1
175.14804	98.9
176.15163	2.2
177.05505	2.6
185.13316	1.5
191.14394	1.0
193.15816	1.4
199.14798	1.8
203.14389	2.9
207.06563	3.7
213.03903	1.2
221.15343	51.0
221.96858	0.8
222.15695	1.3
231.05020	3.5
255.21048	4.9
273.22092	37.6
274.22437	1.5
301.21619	4.3
319.22644	100.0
320.22864	4.2
327.65613	0.9
342.25064	0.8
552.80450	0.9
567.27966	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	568.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93781	0.8
53.03945	6.9
55.01870	4.1
55.05503	10.7
57.03431	3.0
57.07066	3.3
59.04995	1.9
61.02917	3.0
65.03931	0.9
67.05497	20.3
68.99790	1.7
69.03423	13.1
69.07067	4.0
70.56275	0.8
71.04988	12.3
73.02922	2.1
79.05477	6.9
81.03404	13.7
81.07047	92.3
81.09736	1.0
82.07401	1.4
83.08624	2.9
85.02892	28.9
85.06535	6.0
87.00827	14.2
89.06037	3.4
91.03973	1.5
91.05490	1.8
93.07029	7.4
95.04953	5.7
95.08598	27.1
97.02879	15.5
97.10149	10.3
97.19831	1.0
99.04442	8.2
99.08095	1.9
105.01859	7.9
105.07029	2.8
107.08604	4.1
109.02869	16.8
109.06494	4.8
109.10154	2.8
111.08086	4.0
113.06029	1.2
117.01864	1.5
121.10130	1.3
123.08087	1.3
123.11691	100.0
124.12052	1.6
124.22009	0.9
127.03896	22.0
127.11169	0.9
129.01804	2.3
133.10109	4.9
141.12756	5.0
145.04916	5.5
151.11157	19.9
159.02863	5.3
168.94118	1.0
169.12216	90.7
170.12622	1.6
171.02759	1.0
183.45934	1.0
187.13271	56.4
194.79280	0.9
195.02702	1.1
231.04947	4.8
295.73331	1.0
303.14334	4.6
399.16409	2.7
417.17413	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05508	2.8
57.03434	3.1
65.09060	2.2
66.51859	2.4
69.03429	8.3
71.04974	3.2
71.43519	2.5
71.92487	2.3
76.06387	2.7
79.05495	4.5
81.03425	3.7
81.07055	13.4
85.02909	12.6
91.05492	10.8
93.07027	2.4
95.04974	5.0
95.08625	4.0
97.02898	2.9
103.05442	6.4
105.01905	3.0
105.07019	17.7
107.04929	5.8
109.02888	5.4
115.05457	6.1
116.04697	2.7
119.04900	2.9
119.08598	10.2
120.08106	5.6
123.04505	3.9
123.11728	11.6
127.03907	4.2
129.07005	7.0
131.04932	6.4
132.05711	5.6
133.06482	17.2
140.22340	2.8
141.06998	3.1
147.04398	2.8
147.07996	12.5
149.06009	3.5
159.08105	3.9
160.05212	7.4
161.05969	15.0
162.59119	2.6
163.07497	5.4
167.07037	82.8
167.08495	4.1
169.12233	9.9
175.07538	100.0
181.04959	3.2
187.07613	9.3
187.13368	5.3
189.09148	2.8
191.07077	8.4
193.08594	66.1
199.07472	7.2
201.09085	5.2
218.07027	3.1
233.09483	3.2
249.09258	4.0
258.53888	2.6
261.09229	3.3
281.11740	4.6
309.11270	5.4
321.11017	4.7
324.44177	2.6
341.13800	23.6
353.13904	17.2
355.15347	7.9
371.14679	4.1
568.28918	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	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61768	10.1
55.05507	15.4
57.07106	17.0
67.05507	22.8
69.07042	13.9
69.17274	8.6
69.23629	40.6
69.24036	19.0
70.16405	9.8
79.05478	24.1
81.07045	41.6
82.01157	9.0
85.74358	10.0
91.05485	57.4
93.07027	58.8
95.04938	54.6
95.08611	35.3
105.07013	100.0
105.07538	9.1
107.08602	42.0
109.10176	15.7
117.07007	33.5
119.08582	94.3
121.10142	27.3
123.08035	11.1
128.06235	15.3
129.07027	20.1
130.07788	12.9
131.08582	62.6
133.10089	57.6
135.08057	11.3
135.11722	16.8
141.06943	12.0
142.07790	18.9
143.08519	58.5
144.09282	14.5
145.10089	97.3
155.08568	24.8
156.09322	20.0
157.10085	49.5
159.11668	25.5
167.08554	14.9
168.09450	12.9
169.10136	30.2
171.11697	23.4
173.13277	18.9
181.10164	14.7
182.10954	14.9
183.11694	22.8
185.13271	15.1
191.14267	9.5
195.11693	19.0
197.13257	22.4
199.22899	11.0
209.13231	17.6
211.14879	14.2
229.40659	12.2
257.90378	9.4
363.98141	10.9
499.14685	11.7
568.56146	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01884	1.1
55.05506	2.3
67.05508	4.1
69.03429	4.6
69.07065	1.8
70.06594	4.5
71.32444	1.2
71.43697	1.1
79.05476	2.3
81.03410	2.1
81.07050	13.1
82.07375	2.4
83.04964	3.3
83.19476	0.9
83.41893	0.9
85.02904	6.3
86.09704	1.9
87.47175	1.0
91.05483	1.7
93.07045	3.7
95.04977	1.9
95.08608	4.4
96.08170	1.1
96.08910	1.5
97.02888	2.6
97.06515	1.9
105.07005	6.4
107.08593	2.9
109.02888	2.9
109.10154	3.1
110.10500	1.3
119.08562	1.5
121.06497	3.3
123.11694	8.9
124.12044	4.8
125.06013	2.2
127.03937	3.6
131.08536	1.6
133.06448	1.5
133.10143	1.3
145.02879	1.2
145.10139	5.3
147.29816	1.1
151.03920	1.4
151.11208	3.4
152.11598	2.5
157.01073	10.8
159.11687	1.6
165.05379	1.2
169.12280	4.7
170.12607	4.9
173.09625	2.3
177.05505	1.0
181.04926	1.1
183.38251	1.2
187.13377	3.4
188.13690	3.0
192.13831	6.7
203.05240	5.1
273.10928	6.7
291.12018	3.6
345.13193	1.6
407.12897	13.1
407.17319	1.0
407.20856	1.4
409.18210	1.5
435.16299	25.6
453.17178	18.5
569.18365	100.0
570.19244	6.5
570.26788	1.1
574.92999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30528	0.4
69.42147	1.6
69.73083	0.4
98.22686	0.7
184.07335	0.4
185.04187	0.7
200.38039	0.4
203.05089	0.5
236.21571	0.4
236.96658	0.3
258.48697	0.5
259.07947	0.7
289.77151	0.4
331.09973	0.6
407.24164	1.3
457.20456	1.9
469.43777	0.4
471.21802	3.4
487.21960	0.5
569.29297	100.0
570.29510	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02256	0.5
60.58471	0.4
62.82694	0.5
65.43739	0.5
68.89285	0.5
69.47797	1.9
69.81263	0.4
72.14044	0.5
91.00313	0.5
137.65338	0.4
161.37643	0.4
166.58879	0.5
176.11099	0.4
178.64951	0.5
196.45538	0.5
301.89368	0.5
331.10046	0.9
399.97305	0.5
400.04355	0.5
407.23953	0.7
457.20529	2.4
471.21756	4.4
487.21149	0.6
569.29266	100.0
570.29675	4.4
575.99005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31196	1.2
72.82632	0.2
97.97257	0.2
185.04184	0.6
259.07864	0.6
295.15494	0.3
309.16718	0.3
331.10059	0.6
407.24026	1.7
457.20477	2.5
471.22116	3.7
487.21548	0.8
569.29266	100.0
570.29449	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	569.3081
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
54.64188	2.1
66.26109	2.9
69.07064	2.3
71.43721	3.5
81.79211	2.2
89.06020	4.2
97.10159	3.0
98.09658	3.0
106.50466	2.4
151.64087	2.7
156.97568	2.5
177.11209	2.5
421.14444	3.0
453.16718	15.3
509.19586	18.4
537.18896	7.3
569.30804	100.0
570.31372	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	570.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01873	3.8
57.03425	1.6
61.02923	2.1
61.92686	0.9
65.03941	1.6
67.05492	4.5
69.03423	5.3
70.06593	5.3
71.04999	1.4
71.43813	1.1
73.02930	1.0
77.03935	1.7
79.05489	18.9
81.03408	2.2
81.07053	6.4
83.01334	7.0
83.04974	1.3
84.08130	1.6
84.17995	0.9
85.02900	10.9
85.06534	3.5
86.03242	1.2
89.03887	1.4
91.03953	1.9
91.05469	14.2
93.03388	0.9
93.07021	5.4
95.04965	2.3
95.08614	3.3
97.02891	2.8
97.06525	2.1
98.06052	1.0
99.04433	2.8
101.02370	1.4
105.03386	1.6
105.07018	12.7
107.04954	6.5
107.08583	72.8
108.08878	1.4
109.02859	1.7
109.06506	4.3
109.10169	2.3
111.00790	4.1
111.04406	1.4
111.08036	0.9
115.05428	1.7
117.03387	2.1
117.07011	4.2
119.06074	2.6
119.08566	1.5
121.06517	3.9
121.10124	0.9
123.08056	9.1
125.06016	1.4
125.09615	1.8
127.03882	2.5
129.01857	3.1
129.10332	1.2
131.08553	1.9
133.02887	2.1
133.06471	14.7
135.04396	3.2
135.08040	50.9
137.02324	1.1
145.02849	3.2
145.04974	2.2
149.09612	3.0
151.07523	19.1
153.05473	1.0
153.09082	6.8
156.67097	1.0
161.17993	0.9
163.03897	19.3
163.07524	100.0
164.07832	1.3
164.75070	0.8
167.03404	3.2
169.08562	2.5
175.11208	1.1
177.05455	1.1
181.04985	12.0
181.08571	36.1
182.05325	0.9
191.10715	0.9
193.12242	3.5
196.44807	1.1
199.09633	14.4
209.11674	2.3
210.12132	1.2
211.13295	1.8
227.12846	4.2
228.13104	2.3
229.13307	1.5
232.23476	0.9
281.10110	5.1
283.73068	0.9
309.09689	6.9
313.13089	1.3
327.10706	63.6
337.09100	1.0
355.10187	26.6
366.66504	0.9
373.11304	17.1
389.23688	1.4
540.13831	0.9
552.29187	1.8
552.66962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
65.41972	2.3
67.05505	3.2
69.03422	3.2
70.06561	2.6
79.05458	4.4
81.07054	5.0
83.38731	2.1
85.02873	2.6
89.03909	9.5
92.36581	2.0
93.07032	5.8
94.35929	2.2
95.08598	5.9
96.55280	2.2
100.11230	2.2
103.15755	1.8
105.06996	2.5
109.10145	3.3
109.51793	2.2
110.03244	2.0
117.03376	20.8
119.08562	3.5
121.10125	7.1
122.51474	2.2
127.03933	2.3
133.10109	3.0
134.03543	3.5
135.04395	4.0
145.02832	58.6
149.05988	8.0
162.09167	2.5
163.03918	12.4
164.04208	6.9
165.04419	2.4
176.10631	2.7
177.05453	100.0
178.05730	2.4
181.04993	2.9
190.12262	6.1
217.04849	2.4
248.51874	2.0
269.20993	2.5
272.20023	8.1
287.22165	6.4
334.23706	5.2
388.63980	2.4
408.27386	8.6
456.67599	2.2
485.56250	2.7
505.64661	2.4
570.32745	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54006	0.9
55.05514	2.1
59.87875	0.8
70.06589	1.2
79.05467	1.4
81.07066	1.4
85.02898	1.0
89.03917	9.5
91.05476	1.5
93.07038	5.6
95.04978	1.1
95.08592	1.4
103.05482	1.1
107.08571	1.0
117.03372	28.2
120.08109	1.2
121.06505	2.2
121.10147	6.1
129.04518	1.3
131.04901	0.9
134.03609	2.4
145.02844	58.5
149.05978	8.3
149.09564	1.3
149.27112	0.8
161.05963	1.5
163.03932	2.0
163.07487	1.1
165.05594	0.9
167.10788	0.9
173.05981	10.1
177.05469	100.0
178.05806	1.4
185.06018	1.2
186.21577	0.9
187.07501	1.8
189.05431	1.8
199.07491	1.6
201.05434	3.3
203.07097	1.1
211.07486	1.4
213.05421	1.6
215.06975	1.7
217.04973	8.8
225.05594	1.1
227.07103	2.3
229.05006	1.5
229.08661	1.5
265.12192	1.2
307.13397	0.9
311.12637	1.5
313.14313	2.3
325.14267	2.4
327.15930	1.7
329.13773	12.4
337.14407	3.8
355.15448	10.2
373.16357	4.4
395.41818	0.9
437.47540	1.1
473.52054	0.9
570.32526	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	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28397	0.5
55.09390	0.5
63.02352	0.8
63.92573	0.6
66.92660	0.6
70.06579	0.8
73.57868	0.6
78.04709	1.0
79.05489	1.0
80.06300	0.5
81.07057	0.7
82.71357	0.6
89.03912	9.7
89.16599	0.5
91.05476	2.3
93.07050	6.0
94.92367	0.6
95.04955	1.1
95.08596	1.1
103.05459	0.9
105.07021	1.6
106.04208	0.7
107.08598	0.6
109.10148	0.5
116.21702	0.6
117.03380	26.8
121.06501	2.5
121.10160	5.9
121.11002	0.8
123.08109	1.1
131.04958	1.5
134.03632	1.9
135.04347	1.5
145.02843	60.1
149.05980	9.1
149.09637	1.0
152.05925	0.5
158.05830	0.5
160.08636	0.6
161.05966	0.6
163.03864	1.1
163.07463	1.5
175.07587	0.8
177.05466	100.0
178.05833	1.5
184.07323	0.9
186.05518	1.1
189.05455	2.1
229.08566	1.2
279.13647	0.8
282.25198	0.6
297.14862	0.7
297.26682	0.6
307.13263	0.7
325.14304	2.3
355.15518	0.7
369.07956	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
61.02906	2.0
67.05499	1.8
68.38317	0.5
69.03412	2.8
69.51347	1.7
69.51747	1.2
73.02916	0.9
77.03929	0.6
79.05482	4.9
80.58996	0.5
80.99724	0.6
81.03402	2.0
81.07049	2.0
83.51450	0.6
85.02892	5.7
91.03911	2.6
91.05479	2.1
93.07044	2.1
95.04967	1.3
95.08601	9.9
96.24942	0.5
97.02894	1.7
97.64600	0.6
99.04426	1.0
103.05466	2.0
105.04499	0.8
105.07022	36.6
107.04915	0.9
107.08588	0.8
108.05710	1.2
109.02834	0.7
109.06497	1.8
112.49185	0.5
123.08056	24.0
127.03921	2.1
128.36316	0.6
129.96906	0.5
131.04921	1.0
133.06479	100.0
134.06834	1.4
141.16672	0.5
145.04955	2.2
151.07527	37.2
152.07851	0.6
163.06050	2.6
169.08606	6.2
170.09132	0.6
173.04492	2.3
173.09448	0.5
191.05537	0.7
196.57610	0.6
230.57535	0.5
285.12906	0.6
295.11746	3.5
313.12668	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	570.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05503	0.7
57.03424	1.2
61.02911	1.6
67.05505	2.9
69.03419	3.2
70.06569	0.6
73.02933	0.7
79.05494	3.2
81.03416	2.3
81.07059	3.4
83.04946	0.6
85.02408	0.9
85.02902	13.7
91.03950	0.8
91.05478	1.9
93.07041	3.4
95.04976	0.9
95.08599	11.7
97.02917	2.7
98.23518	1.1
99.04452	1.2
105.04489	0.7
105.07025	16.5
107.04945	2.6
107.08573	0.9
108.05724	1.7
109.02879	1.0
109.06478	2.4
118.64075	0.5
121.06503	0.6
122.07240	0.9
123.08065	61.1
124.08370	1.3
127.03912	4.1
133.06491	22.9
134.06743	0.7
135.56003	0.6
145.04926	5.8
151.07538	100.0
152.07857	1.9
163.06013	8.5
167.07008	0.6
169.08603	8.4
173.04453	2.2
194.51112	0.6
199.52475	0.6
277.10648	0.7
295.11716	2.6
313.12631	3.7
325.11118	1.1
457.16977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01863	2.7
55.05505	6.2
57.03424	2.6
57.07073	5.2
61.02914	1.8
67.05497	1.5
68.99777	1.0
69.03426	13.1
69.07063	36.4
70.06593	1.1
70.62175	0.8
70.62493	1.0
71.04987	2.7
73.02914	1.6
79.05470	1.0
81.03417	10.4
81.07041	8.6
83.01305	0.6
83.08613	15.0
84.08107	0.5
85.02901	28.9
86.09680	0.7
87.00828	9.7
87.59116	0.6
91.03950	0.8
93.07041	4.6
95.08602	10.8
97.02886	9.5
97.06525	12.2
97.10165	1.8
99.04453	4.8
99.08097	1.4
100.11216	0.9
104.41795	0.6
105.01870	8.0
107.08585	5.0
109.02871	12.5
109.10127	4.6
111.08058	3.6
113.09583	0.7
114.79707	0.6
117.01855	0.9
125.13263	8.0
125.42666	0.6
127.03911	18.5
129.01808	1.7
135.11691	9.8
143.37270	0.6
145.04970	5.8
153.12733	65.3
154.13107	1.8
159.02885	4.4
171.13789	100.0
172.14168	1.3
197.52731	0.7
203.16080	0.7
213.03978	1.7
231.04871	3.0
246.15004	1.1
305.15891	1.2
386.09442	0.7
401.18527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06826	0.5
57.07074	7.9
58.06595	3.0
70.06588	19.3
71.08249	0.5
71.08610	3.0
77.03886	0.6
82.06585	1.2
83.07337	2.4
85.10172	0.9
88.07625	24.0
95.04950	1.5
98.09688	18.9
99.01907	0.5
102.09173	16.7
105.03382	18.5
105.04459	0.7
116.10722	28.5
131.04874	0.9
149.02351	13.2
149.05968	69.2
150.06252	0.5
175.03905	0.8
181.06496	1.7
186.96742	0.6
193.04955	12.1
193.06615	1.0
212.23557	0.8
219.06566	1.5
225.06151	0.5
255.28419	0.5
256.26337	57.5
257.26663	1.2
297.07550	14.8
341.10168	58.1
342.10419	1.6
381.91891	0.5
539.17358	0.7
553.18433	2.4
570.34259	100.0
571.34473	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	570.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.0
57.07080	3.5
64.46394	0.8
66.09341	0.7
67.05495	1.5
69.07046	1.5
70.77071	1.0
71.08614	1.4
71.42943	0.7
73.43833	0.7
79.05470	1.3
81.07040	2.1
83.08628	0.8
89.06007	2.6
91.05473	1.1
93.07024	0.9
95.08595	1.0
98.98450	3.1
107.08533	1.2
109.10125	0.9
117.07035	1.3
118.06518	2.3
119.07290	3.1
124.99155	1.1
124.99995	13.6
132.08145	0.7
133.08598	1.9
134.09639	32.1
144.08073	9.8
145.08847	5.0
145.09856	1.0
160.11198	100.0
161.11566	1.9
162.09233	1.0
177.11224	0.7
178.12247	89.1
179.12633	1.1
219.61736	0.7
258.08884	71.7
259.09103	0.9
322.26300	0.8
552.34387	6.7
553.22876	0.7
570.35364	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	570.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
57.07071	60.4
63.14436	0.8
69.07066	8.1
71.08626	54.0
73.06553	6.5
83.08616	3.0
85.09789	0.6
85.10175	33.8
87.04461	6.0
89.06022	100.0
90.06368	0.9
97.10170	2.9
98.09736	1.3
98.22593	1.5
99.11723	6.4
107.07062	3.1
111.11720	3.9
113.13292	5.3
117.09116	4.8
125.13285	3.4
127.14835	3.9
130.08682	1.4
131.07068	2.2
133.08591	69.7
136.12755	0.8
161.11713	1.1
175.09587	1.2
177.11217	25.7
177.12761	1.3
183.21095	1.8
221.13785	5.5
235.71315	0.9
239.14856	2.3
271.26355	3.6
283.17496	3.6
315.28943	3.8
327.20111	2.4
371.22733	10.6
371.53976	0.8
473.42886	0.8
499.95203	1.0
509.40933	0.9
510.19473	1.2
553.43109	13.6
570.45642	2.5
592.58234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33797	3.0
51.29204	2.3
53.03952	5.4
54.22761	2.6
55.01866	7.3
55.16608	2.9
57.03429	8.2
61.02932	9.9
67.42069	2.7
69.03429	35.8
71.04987	4.7
71.42183	3.0
72.93788	4.8
73.02927	4.3
79.05505	6.7
81.03413	15.8
81.07061	19.3
83.01360	7.4
83.04971	3.1
83.44218	2.7
85.02903	100.0
86.03208	3.0
90.94830	3.0
91.03962	6.8
91.05484	8.9
95.04960	25.5
97.02885	39.8
99.04469	8.3
102.14726	2.8
109.02897	12.4
109.06528	31.2
119.04939	5.8
121.02914	2.6
127.03908	31.5
132.95854	5.5
133.62848	2.9
137.05969	40.8
142.80482	2.6
144.95828	10.2
145.04958	30.3
147.04375	16.7
158.97421	16.5
162.96933	3.5
163.03958	3.9
165.05472	45.7
168.95906	4.1
170.97400	4.4
174.96922	3.1
176.98505	8.1
181.05002	10.0
183.06523	19.1
186.96809	5.8
198.97226	2.8
208.99001	9.1
210.96950	4.1
216.98010	8.5
218.97372	2.6
224.98468	3.2
227.00055	8.1
234.98987	49.0
236.98438	14.1
239.00117	3.9
251.00081	3.9
253.00085	4.6
254.99588	9.4
278.99518	5.7
297.00659	3.8
340.99655	7.9
353.03049	6.3
381.02597	25.4
381.09723	3.2
381.75430	2.9
382.09720	4.3
399.03915	22.1
401.03345	3.4
417.04797	26.5
419.04343	9.6
571.17535	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	571.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	2.4
70.06594	4.8
71.41910	2.8
78.14957	1.7
87.41911	1.8
88.07651	2.5
91.29854	1.8
93.07044	1.8
123.83324	2.1
130.06477	2.2
132.81729	2.2
180.89459	3.3
180.97881	4.4
198.98831	9.1
237.39891	2.1
256.26321	12.8
263.05701	2.8
282.25983	3.8
291.04877	2.5
353.17212	22.3
413.19342	100.0
414.19720	4.6
439.08936	2.2
451.13757	2.7
570.52521	2.6
570.81903	5.7
571.31360	2.4
571.52356	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	572.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01878	1.9
55.05502	10.2
57.03421	1.4
59.04995	3.4
61.02923	1.9
65.37227	0.8
67.05498	21.0
69.03429	4.8
69.07081	0.9
70.06590	3.6
70.74901	1.5
71.04991	7.5
73.02908	1.0
79.05495	1.7
81.03414	3.3
81.07061	6.4
83.01347	0.9
83.05012	1.2
84.08137	1.1
85.02890	7.9
85.06536	0.9
86.09711	1.2
87.00838	1.8
91.05457	4.2
93.07045	9.7
95.04968	6.3
95.08601	100.0
96.08952	1.2
97.02885	3.5
99.04452	2.2
101.02386	1.1
101.05990	1.5
102.04694	0.8
105.01860	3.3
107.08571	1.0
109.02868	1.6
109.06492	1.4
109.10149	45.2
111.04461	1.6
113.05994	6.6
113.09645	3.1
114.06236	0.9
117.07043	1.1
119.08575	10.2
120.08076	0.9
121.06517	1.2
127.03909	4.5
127.11172	1.3
129.01799	0.9
137.06000	7.7
137.09608	33.4
145.04953	1.8
147.08057	10.0
154.66814	0.9
155.10663	25.0
165.09106	80.8
166.09598	1.2
180.08723	0.9
183.10143	22.5
183.11687	1.5
201.09317	1.2
201.11205	23.4
205.06575	0.7
242.49684	0.8
311.11212	3.4
329.12292	12.0
339.10785	5.9
345.13367	2.1
352.52319	0.8
357.11774	26.0
375.12817	15.3
426.61435	0.9
573.20862	1.0
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
51.10086	0.5
63.02359	0.5
66.31346	0.5
67.05523	0.5
69.06963	2.8
69.07366	0.8
70.04880	0.4
77.57779	0.5
81.07059	3.0
89.03919	8.0
91.05446	0.7
93.07025	0.5
95.04961	0.9
95.08608	0.9
106.04132	0.6
117.03371	22.2
123.11691	1.5
134.03624	1.8
135.04391	1.1
145.02843	53.8
146.03139	0.8
149.05971	7.0
163.03911	1.0
169.12250	0.7
170.20685	0.4
177.05461	100.0
178.05792	1.8
186.05533	0.9
187.13301	0.6
195.06468	0.5
203.12769	0.4
231.18372	0.4
240.86197	0.5
537.19586	0.7
543.28369	0.5
572.22614	2.7
572.34076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3029
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05499	4.1
56.10131	1.6
57.03425	4.4
57.07072	26.5
58.15654	1.7
62.09844	1.4
67.05505	11.5
67.68748	1.5
69.07059	5.6
71.08627	22.8
72.56555	1.8
79.05485	4.6
81.03390	4.5
81.07046	9.3
83.04968	2.5
83.08597	8.5
85.10170	12.2
87.32257	1.9
89.06002	2.7
90.61336	1.5
93.07013	3.8
95.08608	17.5
97.10156	1.9
98.98461	33.6
109.02882	5.4
109.10146	4.9
116.10655	1.5
123.11684	2.3
155.01041	24.3
173.02097	2.4
228.30739	1.8
239.23653	3.8
261.03552	1.7
313.27338	100.0
314.27728	3.6
317.06311	2.9
335.07635	1.7
393.23969	3.0
401.28729	4.2
519.64856	1.9
537.27808	2.6
573.48303	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	573.3038
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05498	7.2
57.03422	2.6
57.07078	34.3
60.60764	2.1
61.69302	2.1
67.05510	15.7
69.07069	8.3
69.24503	16.1
71.08631	26.1
79.05489	6.0
81.03409	5.9
81.07041	13.5
83.08613	10.5
85.10172	13.1
89.06025	3.2
93.07059	6.1
93.86002	2.6
95.08624	18.8
97.10142	4.0
98.98463	42.7
105.07008	3.2
109.02872	6.7
109.10150	10.5
110.04250	2.5
116.10670	2.8
123.11710	3.5
155.01030	28.8
173.02072	2.7
239.23659	8.0
311.95041	2.6
313.27368	100.0
314.27884	3.9
319.55371	2.9
335.07407	2.9
393.24493	4.7
443.94659	2.5
573.48242	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	573.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	26.9
57.03415	5.3
57.07069	88.8
65.03935	4.6
67.05502	86.6
69.07071	36.8
70.75620	5.8
71.08624	53.3
79.05486	75.4
81.07050	100.0
83.08602	25.1
85.10177	23.9
91.05478	39.2
93.07035	70.7
95.04965	14.2
95.08600	81.9
97.06505	5.1
97.10149	10.9
105.07032	19.4
107.08584	25.6
109.10139	36.3
117.07010	6.9
119.08577	12.0
121.10106	26.6
123.11736	8.0
131.08540	11.0
133.10146	8.4
135.11696	10.6
145.10149	9.6
145.53265	4.8
146.99236	4.7
147.11646	11.4
161.13293	7.8
164.84552	4.5
165.29018	4.7
182.21779	5.5
233.76984	5.3
239.23741	10.9
535.03015	5.2
573.48682	58.4
574.48151	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	574.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18293	0.2
53.03939	0.4
55.01879	0.5
57.03425	0.7
63.02375	0.3
69.03423	3.3
70.49264	0.7
70.99520	0.3
71.01328	0.3
71.04992	0.5
75.67507	0.3
77.03953	0.3
79.05481	0.8
81.03407	1.6
85.02891	2.6
89.03901	3.2
97.02887	7.7
99.04444	0.5
101.02383	0.4
106.06521	1.0
107.04927	0.9
109.02859	0.3
117.03369	4.3
123.09191	0.4
127.03894	0.4
133.07643	0.3
134.06000	0.8
134.38422	0.3
135.04402	10.3
145.02837	7.3
145.07625	0.6
151.08658	3.5
160.06261	1.5
161.07077	0.8
163.03891	55.4
164.04218	0.5
169.15997	0.3
173.07089	13.9
174.05463	0.7
174.07855	0.6
181.04955	1.4
184.06375	0.3
186.07919	0.4
187.08630	2.5
191.08136	74.9
192.08479	1.1
197.07121	0.4
204.11349	0.3
205.09734	3.4
206.08107	2.3
207.08452	1.6
214.09686	0.7
215.08122	2.9
232.10794	6.5
233.09187	68.3
234.09573	1.4
248.09155	2.3
249.09526	2.0
250.11842	100.0
251.12163	1.6
265.11859	2.7
266.12131	2.6
273.69150	0.3
275.10382	0.6
281.09055	0.3
292.12836	0.7
297.75458	0.3
299.10114	0.6
307.08008	1.4
316.12933	0.6
325.09140	9.0
328.12973	0.3
341.11349	0.5
358.13837	1.4
376.15091	1.1
412.17178	1.3
427.17001	0.3
574.19446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	11.0
57.02610	12.1
58.23151	9.9
62.67482	10.9
62.76638	9.9
68.28196	10.2
69.03419	13.9
69.20718	53.5
71.04977	18.0
79.05487	29.9
81.03411	13.4
81.07046	65.2
83.04983	28.8
85.02897	31.7
85.52666	12.6
91.05461	32.1
93.07040	76.8
95.08607	35.4
97.02870	13.5
100.11230	18.0
105.07034	100.0
106.05015	13.8
107.08580	48.3
109.02840	15.2
109.06508	11.9
117.06993	17.5
117.40931	11.2
119.08578	35.2
121.10146	33.8
123.08031	17.6
126.79813	10.8
127.03957	23.9
129.07018	18.0
131.08546	38.1
133.10149	42.4
135.08046	12.8
137.09589	16.8
142.07768	35.8
143.08551	52.2
144.09344	13.9
145.10098	76.1
147.11690	20.3
149.09637	27.4
153.09036	15.4
154.75623	10.1
155.08540	22.4
156.09309	26.4
157.10095	88.1
159.11662	71.3
163.03853	19.1
169.10158	41.0
171.11700	67.5
173.13193	14.7
180.90953	11.3
182.10924	18.5
182.15430	15.7
185.13251	20.2
197.13268	44.2
199.14806	26.7
201.16307	15.4
202.33319	12.3
211.14795	28.8
217.15848	17.0
229.15895	64.3
233.08951	10.3
273.18365	12.0
496.12589	11.0
556.24060	13.3
574.25470	65.5
593.46332	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	574.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72758	7.9
61.15801	7.8
67.05487	11.8
69.03453	9.2
69.07036	8.3
69.13642	55.4
71.04977	25.3
73.02925	14.0
79.05486	17.5
81.03400	9.3
81.07047	47.3
83.05006	17.6
85.02856	17.3
91.05485	27.6
93.07047	60.8
95.04958	11.7
95.08598	18.1
97.02884	12.6
97.06528	8.7
105.07035	84.2
107.08593	25.2
109.06516	23.4
117.07034	12.6
119.08563	38.2
121.10120	20.4
127.07463	8.9
129.06964	18.0
130.07776	10.9
131.08548	33.6
133.10135	28.2
142.07771	17.0
143.08592	58.3
144.09326	8.8
145.10120	100.0
155.08588	9.2
156.09375	18.4
157.10147	65.7
159.11736	64.4
161.13286	14.2
163.03894	23.9
169.10056	25.1
171.11711	39.4
185.13266	27.2
187.22704	8.6
191.08153	21.6
197.13274	22.2
199.14792	23.5
211.14880	20.1
215.14284	10.7
229.15849	24.7
250.11757	18.7
273.18448	8.3
291.19446	22.8
378.51361	9.2
574.39349	9.7
575.26093	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	575.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48324	0.6
61.20794	0.5
71.33125	1.0
99.62832	0.6
104.94315	0.6
123.07354	1.1
123.08324	6.5
151.07843	4.8
163.04173	0.6
185.04512	1.9
199.68532	0.6
203.05618	7.6
305.08664	2.9
312.40768	0.6
347.09842	1.7
353.12027	3.4
363.09302	2.9
365.10535	69.0
366.11154	1.7
431.15317	0.8
515.17365	100.0
516.10901	0.8
516.17474	4.5
524.18726	0.8
574.25214	1.6
575.19263	55.8
576.19446	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.212
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76316	0.9
61.25604	0.8
61.78123	0.7
65.38145	0.7
67.05522	1.0
69.03428	2.8
70.03458	0.8
70.06599	5.9
71.06946	1.0
79.05508	1.5
81.03408	2.3
81.07043	1.5
81.74095	0.8
83.04983	1.2
83.24220	0.7
85.02908	1.7
89.03913	5.6
91.05469	2.0
93.07050	1.6
95.04951	1.2
95.08627	1.1
97.02882	3.9
100.11279	1.0
105.07020	1.4
107.04950	2.4
107.08616	1.0
109.10176	0.9
117.03371	7.0
127.03932	1.3
135.03423	0.8
135.04405	16.3
137.05998	1.9
145.02838	13.4
149.02357	2.0
163.03889	100.0
164.04245	2.3
181.04968	2.9
215.10678	1.3
227.06155	0.9
245.84300	0.8
261.11157	1.0
307.08008	1.7
320.24527	0.8
325.09256	6.4
379.09778	1.3
381.05453	0.8
381.11169	1.0
399.12744	2.3
400.16599	1.0
575.18134	3.6
575.26849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44118	0.7
55.05257	1.3
55.05507	14.8
57.03434	0.9
60.51379	0.7
69.03415	1.5
70.06587	1.5
70.98495	0.6
71.43504	0.9
73.06546	6.5
81.03405	1.7
85.02893	3.6
86.09696	0.8
87.00816	0.9
90.15968	0.9
91.05451	1.0
97.02872	1.6
105.01853	0.7
109.02856	1.3
109.10120	0.7
115.05453	0.7
121.02861	2.8
127.03901	1.8
129.06973	0.8
130.33273	0.7
131.08553	1.6
136.07559	1.4
137.06012	0.9
145.05035	1.0
149.02330	100.0
150.02623	1.2
161.05948	2.2
175.07527	11.8
177.05475	0.7
185.05997	0.8
192.95911	0.8
203.07021	12.9
205.12218	0.8
208.95644	0.8
210.14940	1.0
221.08040	8.3
275.12772	9.5
293.13803	56.0
294.14105	2.1
311.16278	1.1
325.10709	2.8
329.17444	4.3
340.18726	0.7
379.11673	0.8
497.10098	0.7
516.34290	1.4
524.61444	0.8
576.27692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
55.05510	9.7
61.78426	1.3
65.03932	1.7
67.05502	1.8
69.03418	3.3
69.07057	2.5
69.38343	4.2
70.06583	3.3
73.06552	7.1
79.05508	1.6
81.03403	3.5
81.07023	3.1
83.04983	1.4
83.08614	1.1
85.02897	5.5
87.00822	3.0
91.05486	2.1
93.07023	2.1
95.08604	1.5
97.02879	3.1
99.04462	1.6
104.07104	2.9
105.01846	2.0
105.07022	1.5
109.02875	2.3
117.03369	1.4
121.02862	4.3
127.03894	5.7
145.02811	3.7
145.05000	1.9
149.02336	100.0
149.09677	1.3
161.06073	1.6
175.07527	7.1
177.05466	3.1
178.05797	1.9
203.07025	12.3
221.08098	14.9
225.10173	2.4
239.50656	1.5
275.12793	2.8
293.13803	32.2
311.14090	3.5
312.14291	2.7
313.15216	2.4
314.15686	3.3
399.12424	2.4
400.12946	4.2
401.13910	1.9
434.20651	1.8
435.21204	6.4
499.12320	1.5
575.37549	1.8
576.18005	2.6
576.37537	3.6
577.18658	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	576.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52616	1.3
54.64695	1.4
57.07074	77.2
67.05513	1.7
70.27837	2.6
71.08618	1.7
73.06568	2.1
77.30737	1.3
80.19144	1.2
81.07060	2.2
84.08127	3.5
85.71124	1.2
87.04466	15.1
89.06029	100.0
91.05485	7.0
93.07051	9.1
95.04958	3.0
103.05468	3.9
104.10749	5.6
105.04480	1.3
105.07052	3.0
107.07030	1.7
117.07039	2.0
118.07826	5.8
119.04955	3.6
119.08575	5.6
121.06507	36.7
121.10216	1.4
124.93787	1.8
130.08656	9.3
131.07062	5.9
133.08600	66.4
133.10144	2.5
135.08070	6.1
147.08032	13.5
149.09596	4.2
149.13179	1.8
150.06755	4.3
156.96344	2.9
159.11739	1.8
163.11118	1.8
165.09091	18.4
167.10760	1.9
175.09698	2.5
175.11145	1.4
177.11249	23.9
177.12735	3.4
191.10686	4.1
209.11739	8.3
211.13295	3.2
221.13747	7.4
233.19011	22.2
235.13336	3.6
253.14374	4.1
255.15929	2.4
259.20624	4.0
265.16519	1.6
267.70172	1.6
277.21625	40.1
279.15952	2.4
283.17645	1.9
293.09290	1.3
303.23013	2.1
315.18216	1.9
321.24207	10.6
359.20581	3.8
403.23499	2.3
447.25858	18.4
459.18735	1.6
459.24841	1.8
491.21207	3.7
518.31970	2.6
559.38373	20.6
576.41321	6.6
576.49280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.91433	1.9
55.05507	11.8
57.03433	10.5
57.07069	3.9
67.05503	40.4
69.07066	10.3
69.22021	12.0
71.04950	2.0
71.08630	2.6
79.05491	27.8
80.55148	1.8
81.03407	8.8
81.07053	42.9
83.08598	5.6
89.33860	1.7
91.05464	20.1
93.07045	44.2
95.04964	4.8
95.08603	40.7
97.10183	2.2
98.98466	100.0
105.07033	15.3
107.08595	25.1
109.02867	7.1
109.10144	17.6
111.08124	1.9
117.07019	8.0
119.08563	14.0
121.10130	24.5
122.21200	1.8
123.11670	8.3
127.03972	1.9
131.08545	15.6
131.26852	1.8
133.10112	10.4
135.11681	20.1
137.13261	2.8
145.10147	12.5
147.11670	9.9
149.02316	3.2
149.13275	13.9
155.01031	83.3
159.11661	11.6
161.13251	7.9
163.14815	7.6
173.13258	8.5
175.14891	2.4
187.14799	4.9
193.05016	2.2
201.16495	1.9
205.15884	2.1
233.22679	4.6
243.02592	3.2
243.21074	17.8
261.22128	47.0
262.22433	3.3
285.85849	1.8
303.23166	1.8
317.06381	13.0
317.24744	7.5
330.33011	1.9
335.25781	58.2
336.26190	2.1
366.75775	2.0
415.22552	4.9
423.27438	4.0
487.00745	1.8
559.26758	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	578.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42556	0.6
53.57157	0.6
53.62016	0.7
54.45893	0.5
55.04635	0.5
55.05507	5.6
57.03429	1.4
61.02917	0.7
62.79107	0.5
65.03943	0.9
67.05508	1.6
69.03423	0.8
70.24191	1.1
70.24528	1.0
83.04976	43.8
85.02900	98.9
86.03249	0.6
87.04446	0.7
91.05446	0.9
111.04434	27.6
111.20199	0.6
119.04970	0.7
127.03889	7.4
129.05460	11.7
151.07524	4.4
171.06512	100.0
172.06831	1.9
217.38612	0.6
231.08601	19.6
236.71201	0.6
445.15512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.3
55.53403	0.7
68.14241	0.6
69.03429	5.0
70.73786	1.3
71.04995	1.0
83.04976	95.0
84.08141	1.7
85.02902	2.7
87.04443	0.8
88.60590	0.7
91.05469	1.4
98.09711	1.4
111.04435	100.0
112.04768	1.5
116.10740	0.8
121.18494	0.7
127.03923	1.4
129.05467	8.7
142.12282	1.1
145.02850	0.7
151.07532	2.1
153.05467	19.2
153.63266	0.8
156.92542	0.7
163.03868	2.9
171.06519	23.9
177.05429	1.0
196.07289	2.1
208.04214	1.9
213.07529	1.7
216.26421	0.7
231.08612	31.8
240.22832	0.8
254.04887	2.2
534.21906	1.2
570.26520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.3
55.53403	0.7
68.14241	0.6
69.03429	5.0
70.73786	1.3
71.04995	1.0
83.04976	95.0
84.08141	1.7
85.02902	2.7
87.04443	0.8
88.60590	0.7
91.05469	1.4
98.09711	1.4
111.04435	100.0
112.04768	1.5
116.10740	0.8
121.18494	0.7
127.03923	1.4
129.05467	8.7
142.12282	1.1
145.02850	0.7
151.07532	2.1
153.05467	19.2
153.63266	0.8
156.92542	0.7
163.03868	2.9
171.06519	23.9
177.05429	1.0
196.07289	2.1
208.04214	1.9
213.07529	1.7
216.26421	0.7
231.08612	31.8
240.22832	0.8
254.04887	2.2
534.21906	1.2
570.26520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01875	3.3
55.05507	15.4
57.03434	8.7
57.07085	1.8
65.03951	2.0
65.07562	1.0
67.05500	40.4
67.24300	0.9
68.37270	1.1
69.03448	1.7
69.07066	12.0
71.04985	2.7
79.05492	42.0
81.07054	41.2
83.04984	3.9
83.08611	8.1
91.05478	14.2
93.06443	2.6
93.07040	54.3
95.04971	7.8
95.08601	52.6
95.09219	2.0
95.73653	1.1
96.08939	1.0
97.02877	2.9
97.06538	3.7
99.04420	2.8
103.05512	1.3
105.04505	1.5
105.07021	11.0
107.04934	7.8
107.08586	32.3
109.06513	1.8
109.10167	8.2
111.08092	1.7
117.07022	11.3
119.08575	14.8
121.06503	4.1
121.10142	17.2
123.11656	1.3
125.05980	2.8
127.59113	1.4
131.08559	3.1
133.10130	4.7
135.08032	1.5
135.11679	37.8
143.08609	1.4
145.10130	24.2
147.11726	2.7
149.13254	2.3
161.13191	1.3
163.11176	44.9
181.12241	7.6
209.11824	2.2
227.12767	95.8
228.13097	1.3
243.20976	1.4
243.65768	1.3
261.22067	5.9
283.15372	71.2
284.15564	2.1
317.24722	3.1
335.25781	100.0
336.25919	3.4
458.24359	1.3
543.36774	63.5
544.36987	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	579.1494
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
50.77621	0.1
53.84702	0.1
54.95469	0.1
63.70230	0.1
65.03944	0.3
66.58785	0.1
67.01868	0.7
68.99800	0.5
69.03413	0.1
74.73904	0.1
81.03432	0.7
85.00172	0.1
91.05472	2.2
93.06966	0.1
98.22716	0.4
99.78590	0.1
109.02885	0.3
111.00736	0.1
119.04935	6.5
121.02849	0.9
127.03911	0.1
129.01784	0.2
141.06812	0.2
144.41319	0.1
145.02829	1.3
147.04398	25.1
148.04735	0.3
153.01808	5.4
155.08864	0.1
163.03911	0.6
165.05484	0.5
171.02884	1.0
187.03897	0.2
197.05959	0.2
203.07034	0.4
212.14098	0.1
219.45119	0.1
225.05472	0.7
229.04942	0.5
243.06491	0.4
271.05978	100.0
272.06320	2.4
291.08569	1.5
309.09738	0.6
446.25052	0.1
578.33057	0.2
604.34570	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	579.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.1
62.69539	0.1
65.03912	0.1
67.01854	0.5
68.99786	0.5
69.03410	0.1
81.03396	0.4
81.07044	0.2
85.02901	0.2
87.04473	0.1
91.05476	1.5
98.23522	0.2
105.07032	0.1
109.02848	0.2
117.03358	0.1
119.04932	4.0
120.05164	0.1
121.02865	0.7
123.11692	0.1
129.01849	0.1
145.02808	1.2
147.04391	11.6
148.04732	0.2
153.01805	5.1
163.03864	0.6
165.05501	0.2
171.02878	0.9
177.05463	0.3
195.76825	0.1
203.07066	0.3
225.05397	0.6
229.04971	0.5
243.06442	0.2
253.04991	0.1
254.05959	0.1
271.05963	100.0
272.06317	2.7
291.08563	0.5
417.10049	0.1
579.06122	0.3
579.26447	0.4
579.34760	0.3
592.17163	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	579.1708
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
51.09010	0.1
57.03417	0.2
67.01855	0.7
68.99458	0.1
68.99777	0.5
69.03433	0.1
69.50425	0.4
71.05001	0.6
73.02910	0.1
75.49285	0.1
85.02896	0.9
91.05467	0.4
97.02891	0.1
118.22180	0.1
119.04163	0.2
119.04939	2.1
121.02850	0.7
125.02312	0.1
129.01814	0.1
145.02814	0.5
153.01811	5.3
163.03900	0.5
171.02878	0.4
187.03981	0.2
203.07002	0.1
225.05479	0.4
229.05006	0.3
243.06494	0.4
247.06136	0.2
259.83130	0.1
271.05978	100.0
272.06335	3.1
433.11176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
64.67586	0.4
67.05500	0.6
69.03407	0.4
69.07064	0.4
79.05491	1.4
79.71085	0.3
81.07051	2.8
81.49229	0.3
83.04956	1.0
84.08141	0.6
85.02905	0.3
91.05478	2.7
93.07041	4.5
95.04955	1.2
95.08600	2.0
98.09681	0.8
98.18542	0.3
99.04459	0.4
105.07024	5.8
107.08591	2.5
109.06519	0.8
115.05438	0.3
116.10754	0.7
117.06994	1.4
117.07757	0.4
119.08559	2.4
121.06582	0.3
121.10146	0.6
123.08076	0.7
128.06230	1.3
129.06990	1.9
130.07765	0.5
131.08554	2.6
133.10124	1.1
135.08087	0.4
142.07741	2.0
143.08549	3.2
144.09392	0.4
145.10115	5.0
149.09521	0.4
155.08507	0.9
156.09348	1.5
157.10123	4.4
159.11716	4.1
161.13210	0.5
163.03876	0.8
163.07751	0.3
167.08434	0.5
169.10132	1.2
171.11620	1.9
173.13226	0.6
177.05495	0.7
181.10207	0.5
182.10918	1.1
185.13229	1.6
197.13239	1.6
199.14822	1.5
201.16490	0.7
203.05319	1.1
211.14824	0.6
215.14384	0.3
227.05244	0.6
229.15892	0.4
245.06351	2.8
287.03745	2.8
289.05283	100.0
290.05688	1.3
291.19470	0.7
313.17685	1.4
413.73734	0.4
535.24976	0.6
543.21570	0.7
561.22925	0.8
579.24164	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	579.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
59.54875	0.9
67.05508	2.2
69.25679	1.5
69.26079	4.0
78.04301	0.8
78.88148	0.9
79.05485	2.2
81.07048	2.4
83.08626	1.0
91.05485	3.0
93.07021	5.3
95.04963	1.4
95.08612	2.0
98.09676	1.1
100.11216	2.0
105.05808	0.8
105.07057	5.1
105.86279	1.0
107.08600	1.5
116.10699	1.2
117.06998	2.2
119.08580	3.3
128.06195	1.1
129.06993	1.1
131.08565	4.0
133.10153	2.8
142.07747	1.8
143.08578	4.4
145.10081	5.8
155.08551	2.2
157.10139	5.3
159.11694	2.6
161.24323	1.1
169.10071	1.8
171.11646	1.6
182.15482	1.0
185.13223	1.5
196.96980	1.0
197.13132	1.1
198.02982	0.9
199.14899	1.1
227.05310	1.9
245.06291	4.5
245.70026	0.9
271.04245	1.9
273.18591	1.1
287.03802	2.1
289.05276	100.0
290.05658	1.7
301.09000	1.2
313.17770	3.0
331.18835	2.7
345.07956	2.1
384.59412	1.1
493.24271	5.5
499.22977	3.7
517.24585	5.7
519.12842	1.5
535.25171	23.5
536.25513	1.3
543.22076	15.6
544.22314	1.7
561.22937	16.4
562.23279	1.1
579.24054	71.3
580.24188	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
67.05497	1.2
69.03438	0.4
71.04968	0.5
77.10411	0.4
79.05484	1.5
81.07054	2.2
83.04957	1.5
85.02894	0.4
85.06559	0.4
85.90364	0.4
91.05481	2.1
91.95648	0.4
93.07038	2.8
95.04971	0.7
95.08600	1.2
98.09685	0.5
98.97581	0.5
105.07021	5.3
107.08607	2.0
109.06522	0.7
111.08057	0.5
115.05416	0.8
117.07002	1.7
119.08569	2.3
121.10187	0.4
123.08082	0.7
124.01525	0.3
124.25689	0.4
126.99998	0.4
127.07561	1.3
128.06204	0.7
129.07002	1.7
130.07779	1.9
131.08563	3.7
133.10092	1.7
138.89940	0.4
141.06993	0.6
142.07768	1.6
143.08528	3.5
144.09337	0.9
145.10109	8.7
147.11699	0.7
149.09615	0.4
155.08537	1.0
156.09338	1.4
157.10115	3.6
158.10814	0.4
159.11671	3.8
161.13171	0.4
169.10112	1.1
170.10886	1.1
171.11668	1.2
173.13219	0.7
183.11719	0.8
185.13243	2.7
197.13194	0.7
203.05252	1.4
203.14227	0.6
211.14861	0.6
215.14220	0.5
227.05338	0.6
229.03209	0.4
229.15839	0.4
245.06293	4.6
247.16905	0.4
271.04291	0.7
273.18439	1.6
287.03735	3.4
289.05267	100.0
290.05627	1.5
301.08710	0.5
303.89410	0.3
313.17706	3.5
315.19144	0.7
332.27631	0.4
413.78632	0.4
499.22641	0.9
517.23572	0.5
535.25537	3.1
543.22009	3.1
544.22180	0.5
561.22937	2.2
579.15411	0.6
579.24170	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	579.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
67.05498	1.4
69.07086	0.8
69.19147	4.6
77.45216	0.7
79.05464	2.2
81.07056	2.1
83.04972	0.9
83.08595	1.1
85.02941	1.2
91.05479	2.8
93.07037	3.6
95.04951	0.8
95.08591	1.5
98.09677	1.1
98.22728	2.0
100.07603	1.2
100.11267	3.3
105.07034	3.3
107.08591	1.9
109.02901	1.0
112.07586	1.1
115.35574	0.7
117.07014	1.6
119.08573	2.9
121.10167	1.1
125.14788	0.7
128.06226	1.5
128.07118	0.8
129.07016	1.5
131.08563	2.3
133.10118	1.8
136.90007	0.7
141.06935	0.8
141.93039	0.8
142.07755	2.0
143.08574	4.4
145.10089	5.3
147.11723	1.3
155.08501	1.2
156.09355	1.2
157.10114	6.0
159.11745	1.5
169.04701	0.9
170.10966	1.3
171.11655	1.0
182.15323	4.8
183.11647	1.0
185.04218	1.0
185.13205	4.6
196.07474	0.8
196.97495	1.0
199.14809	1.3
209.16586	0.9
210.15027	1.9
211.15038	1.2
245.06358	2.8
255.01747	0.9
259.07922	1.3
271.04294	1.1
273.18430	1.7
287.03760	3.7
289.05261	61.9
290.05624	1.1
295.16788	2.1
301.09048	0.9
313.17667	4.2
331.18903	3.2
345.07919	1.3
401.94339	1.0
475.23471	0.9
493.23947	9.3
499.23087	1.6
517.24091	3.1
535.08582	1.6
535.25085	35.8
535.38141	1.9
536.25574	1.5
536.39001	1.6
543.21973	5.2
561.22986	11.6
579.08093	4.2
579.24060	100.0
580.25012	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80126	1.2
55.05520	1.2
55.11483	1.3
57.67862	1.3
67.05492	2.3
69.03435	1.5
70.51164	1.5
70.51507	2.4
79.05487	1.3
85.02908	2.0
91.05471	2.3
95.05003	1.2
95.08623	5.7
105.07032	1.8
109.02870	1.4
109.10174	2.6
111.08075	6.6
119.08570	17.0
121.10158	3.7
133.06586	1.3
133.10103	1.5
137.05922	1.7
145.10135	1.5
157.10201	1.5
161.05995	2.0
163.03961	2.6
163.07584	3.4
165.05466	17.7
177.05424	11.2
177.09103	1.8
179.07040	1.5
185.09599	2.0
191.07085	3.0
193.08592	8.2
201.09056	6.7
203.10670	9.6
217.08577	2.7
221.13411	1.5
235.11313	1.4
247.11296	3.6
248.12129	1.4
249.16515	1.8
252.11577	1.3
254.13065	1.9
262.13562	4.6
265.12323	2.4
267.13931	2.0
277.15793	3.6
280.14841	3.0
285.14795	13.6
295.16913	10.7
309.49603	1.2
313.17966	45.4
313.29416	1.1
314.18286	1.8
331.19016	100.0
332.19525	5.9
577.26337	1.4
579.35321	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	579.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01857	3.9
55.05507	11.6
57.03437	5.3
57.07072	3.6
59.05017	1.0
65.03937	3.3
67.05501	72.7
69.03437	4.0
69.07065	10.1
69.84285	1.6
69.84633	2.1
71.04982	2.2
71.08627	1.4
73.02911	3.3
75.04478	1.5
79.05486	39.0
80.05818	1.0
81.03417	5.6
81.07051	76.0
82.07412	1.2
83.04984	2.8
83.08614	6.6
85.02918	3.7
85.06535	2.0
91.05475	18.1
93.07041	54.2
95.04977	5.5
95.08601	58.9
97.02893	2.4
97.06535	3.1
97.10165	3.9
98.98463	2.5
99.04445	2.3
99.08060	1.9
104.10740	1.5
105.04535	1.0
105.07027	17.7
107.08588	35.1
108.56953	0.8
109.02863	9.1
109.10153	36.2
110.03674	3.4
110.10464	0.8
111.04447	3.6
111.08069	1.3
113.09641	1.3
115.05466	1.1
117.07022	10.4
119.08571	15.7
121.10139	29.7
123.08078	2.0
123.11699	17.5
125.09660	1.4
127.03908	4.9
127.11140	0.8
129.06989	1.4
131.08551	19.5
132.99533	1.1
133.10127	13.5
135.11687	24.7
137.09598	1.7
137.13229	8.2
139.11134	1.1
143.08560	2.5
144.09322	0.8
145.10104	16.7
147.11652	10.3
149.13249	15.4
151.11101	1.8
151.14842	3.6
153.12775	1.2
155.01045	3.5
157.10109	1.1
159.11691	12.8
161.13245	11.4
163.11140	1.1
163.14822	11.4
165.12770	2.0
171.11722	1.1
173.13254	14.7
175.14819	3.6
177.16344	5.8
179.14301	2.6
183.11795	0.9
184.07277	1.2
185.13298	0.9
187.14839	9.3
189.16420	1.1
191.00113	4.4
193.22325	0.8
201.16440	3.0
205.15903	1.7
209.01276	0.8
215.17931	1.0
219.17488	1.8
233.22618	4.0
243.21078	26.6
246.57356	0.9
259.20450	1.3
261.22125	100.0
262.22479	3.7
263.23697	2.5
279.23059	6.4
289.21634	1.0
298.81946	0.8
303.23233	1.6
317.24792	1.1
335.25778	17.9
337.27225	1.8
343.22745	0.9
351.23038	0.9
353.26855	73.1
354.27292	2.5
369.24249	2.9
377.26526	2.0
407.37674	1.0
409.16293	0.9
427.28842	1.0
443.27985	1.7
451.21561	1.8
469.22437	1.2
525.25842	0.9
561.27118	5.6
579.27808	1.6
581.69885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83353	1.1
53.03935	1.8
55.05505	9.1
57.03434	8.3
57.07062	3.4
58.19300	1.2
58.60320	1.3
65.03925	1.6
66.71355	1.3
67.05502	40.3
69.07062	11.1
69.52780	4.2
69.53202	2.0
71.04977	2.1
71.08636	3.2
79.05483	12.9
81.03413	9.2
81.07051	45.8
83.08623	7.4
85.80234	1.1
91.05477	8.7
93.07043	15.8
95.04925	1.1
95.08601	41.4
97.06492	2.3
97.10152	4.3
98.22755	2.3
98.98460	89.6
99.08059	2.5
101.05041	1.2
105.07027	5.4
107.08585	8.1
109.02874	6.6
109.10148	16.1
111.08083	1.4
111.41550	1.2
116.99522	2.4
119.08574	4.5
121.10123	6.6
123.11723	6.6
125.09583	1.2
133.10150	6.2
135.11684	5.3
137.13205	3.8
140.01091	1.6
147.11667	3.9
149.13239	4.0
151.14783	2.2
155.01025	100.0
161.13217	4.5
163.14803	3.3
165.16318	2.4
175.14839	4.1
189.16368	2.9
243.02599	2.1
245.22658	11.0
263.23697	22.5
305.35959	1.3
317.06335	12.1
319.26273	1.4
337.27350	59.0
338.27591	3.0
407.27625	2.0
425.28989	3.9
452.53110	1.2
595.72437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.0
56.05039	1.4
58.06602	2.0
59.07359	0.7
60.04522	4.9
60.08160	13.0
67.05513	1.3
69.07064	0.6
70.06596	1.4
71.01585	0.6
72.08152	22.4
74.06078	1.6
81.24628	0.4
84.08138	29.2
85.06554	1.1
86.09702	3.0
87.05590	4.8
91.05491	0.9
93.07047	0.4
96.08136	1.1
102.09203	0.7
103.05478	1.2
114.09157	5.9
114.12834	0.6
120.08099	45.3
121.08448	0.7
129.10258	2.3
130.08633	13.6
141.10187	0.5
143.15453	0.9
144.13858	1.3
145.02783	0.5
157.09723	0.8
159.11278	27.7
163.03932	0.8
173.12784	0.7
175.14494	0.6
177.10223	9.9
187.10762	8.3
189.15987	4.5
205.09740	1.6
214.12045	0.5
233.16437	0.5
242.11618	0.5
244.09021	0.4
244.12907	3.5
277.15359	0.9
278.15414	0.4
444.78656	0.4
549.34113	0.7
561.32953	0.5
579.34949	100.0
580.20673	0.5
580.35272	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	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19727	4.3
53.03920	4.6
54.74118	3.8
55.05504	23.3
57.03432	17.8
60.46762	4.0
67.05495	69.6
68.04920	3.9
68.26195	4.0
69.07056	21.0
71.04979	5.4
78.96202	4.5
79.05493	49.0
81.07046	79.1
83.04967	9.7
83.08611	10.8
86.04710	3.6
91.05480	40.0
93.07037	41.0
95.04972	26.1
95.08608	53.6
97.10134	5.1
98.23465	12.9
105.07023	31.4
107.08587	17.8
109.06526	9.7
109.10143	22.7
117.07039	7.5
119.08549	23.9
121.10117	22.3
123.08023	5.6
123.11693	10.1
131.08589	8.5
133.10121	21.9
135.11676	18.6
137.09595	4.7
145.10138	9.7
147.11699	13.8
157.10135	9.2
159.11684	6.0
163.11168	11.2
175.11211	7.2
193.12201	6.0
227.12744	16.1
261.22113	10.5
283.15448	15.5
285.16934	64.1
317.09729	4.8
335.25803	100.0
337.27505	26.7
503.37558	6.9
545.38452	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1497
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
56.01707	0.6
57.03431	3.2
62.45070	0.6
69.03416	8.4
70.06578	0.8
71.04996	0.9
71.44296	0.9
76.84348	0.5
81.03425	0.7
81.07065	0.8
84.66008	0.6
85.02897	7.6
85.58440	0.7
87.04462	4.7
91.55643	0.6
97.02887	6.2
104.22580	0.7
107.04956	0.6
109.02847	0.7
115.03915	6.9
121.02843	2.9
127.03912	1.5
133.04965	6.0
137.02327	1.0
145.04915	0.8
147.04362	0.7
153.01816	3.4
165.01788	1.6
177.05418	0.8
201.05428	0.7
213.05455	1.1
241.04993	0.7
287.05460	100.0
288.05759	2.2
303.05206	0.7
307.09628	1.4
325.10657	4.1
329.06644	1.3
337.10397	0.8
593.54089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01893	0.5
52.37900	0.6
52.79637	0.5
55.05525	0.9
56.76683	0.5
58.67764	0.5
69.03452	0.6
69.07077	0.7
70.55451	0.6
70.55792	1.1
72.08176	0.6
79.05515	0.6
94.03932	0.7
100.11274	2.7
111.93620	0.6
113.05817	1.2
145.02893	1.4
164.82207	0.6
177.05493	1.4
182.15385	0.8
183.44453	0.6
210.14964	2.0
230.09181	0.8
261.07336	4.4
265.73914	0.7
275.10928	4.1
291.00610	0.6
292.32907	0.6
292.36221	0.6
317.12070	4.9
333.13055	12.2
333.19717	0.7
361.12628	5.0
392.36902	0.7
423.13144	1.0
477.17349	1.6
495.18350	17.2
495.25278	1.1
496.18954	1.3
537.19409	55.2
538.19391	3.1
581.18396	100.0
582.18616	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	582.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.9
63.02362	0.5
63.34893	0.5
69.03421	4.9
71.01345	0.4
71.42883	0.4
79.05486	1.0
81.03422	2.0
85.02898	3.3
89.03909	7.0
90.24037	0.4
95.27354	0.4
97.02886	12.8
99.04455	0.5
101.02383	0.9
102.20145	0.4
107.04950	2.1
109.02850	1.0
117.03363	6.8
127.03873	1.7
135.04410	17.2
145.02846	12.6
145.03885	0.5
163.03891	99.0
164.04207	1.4
170.06007	2.9
180.04689	0.4
181.04918	3.6
185.36375	0.4
198.01445	0.5
199.06325	1.4
212.07054	1.8
214.12256	1.7
215.12924	0.5
216.13831	0.7
227.05760	16.0
228.06555	6.7
230.08105	6.9
230.15381	0.7
240.06531	22.3
241.06909	0.8
258.07599	100.0
259.07904	1.9
289.05191	1.4
290.15710	0.9
307.07935	1.5
325.09177	13.5
334.14706	7.5
433.62854	0.5
582.18958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03442	0.7
67.05504	0.5
69.03429	3.7
70.06579	0.9
70.18097	0.5
70.18420	1.1
71.04974	1.2
73.02929	0.6
74.06113	0.5
81.03413	1.6
85.02900	4.6
86.09689	0.6
87.00812	2.0
87.01284	0.5
91.05470	2.2
93.07026	1.6
95.04960	0.7
95.08604	1.0
97.02883	4.9
99.04420	0.6
105.01842	3.6
109.02867	1.7
115.03951	0.9
115.05479	0.7
117.03401	0.5
117.07004	0.7
119.04932	2.2
119.08533	1.0
120.08064	0.6
121.10137	1.9
122.03664	0.9
123.04417	0.5
127.03918	4.1
130.04074	0.6
137.05965	10.2
145.04959	1.7
145.06424	1.3
147.04440	1.1
149.05972	1.3
149.09541	0.6
150.06723	1.0
151.03864	1.1
158.03636	1.1
159.02856	0.5
160.30492	0.5
161.05946	1.1
162.06812	0.6
163.03934	0.6
165.06995	0.8
173.05978	3.0
175.03883	2.2
175.07646	0.6
177.06979	1.8
178.07797	0.7
186.03061	4.6
189.04027	0.6
189.07056	0.7
191.08565	0.9
194.07278	2.5
201.05434	15.8
203.06923	0.8
204.05717	0.8
205.06459	10.0
206.07208	2.0
210.14873	0.5
211.07570	0.6
213.05472	0.8
217.06506	0.8
218.07216	0.6
219.08040	1.4
221.05974	2.3
222.06755	5.7
231.04898	0.9
233.05949	11.7
234.06743	5.1
235.07484	1.7
237.09068	6.3
239.07002	1.5
245.05980	1.0
247.07451	2.3
248.08214	0.8
248.96680	0.6
249.05811	2.0
249.09018	1.3
250.06230	7.3
251.06999	2.2
257.11841	0.7
261.05389	2.4
262.06113	3.1
263.06885	1.4
264.07785	3.3
265.08578	16.2
266.09280	1.5
267.06522	1.7
273.05621	1.3
277.05032	1.7
277.08591	3.1
278.05774	5.1
279.07373	0.6
279.10056	2.4
282.08792	2.4
290.05759	4.1
291.06064	0.7
292.07233	9.3
293.08026	15.5
294.08563	0.9
295.06018	1.4
295.09543	0.5
297.11090	3.4
305.08011	5.9
307.06329	0.8
307.09601	22.8
308.09958	0.9
310.08347	1.8
322.08185	0.6
325.10672	100.0
326.10931	3.0
337.10648	8.3
345.08224	1.4
355.11487	1.1
581.27502	0.5
593.61719	0.5
600.90045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68523	3.1
67.05510	3.3
69.03419	4.0
69.81244	11.9
70.06601	4.9
79.05495	4.4
89.03921	3.3
93.03435	3.9
93.06992	4.2
95.04993	5.8
97.02894	100.0
97.03493	6.2
117.03387	4.3
117.77916	2.8
127.03927	4.0
129.04594	3.4
129.07007	6.0
129.79640	2.8
135.04424	10.3
137.02376	4.8
138.42706	2.9
145.02873	11.5
147.04422	7.1
149.02318	4.0
157.06548	6.7
163.03902	71.5
167.03416	23.9
170.97993	3.6
175.07544	15.0
177.05562	7.8
181.04918	32.5
185.06015	12.6
203.07117	7.2
213.05482	5.0
226.71967	3.1
231.06595	12.8
277.07019	40.8
286.22089	3.2
295.08151	6.4
582.20270	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	583.3604
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
53.03907	0.5
55.05505	2.1
57.03422	1.4
63.70526	0.5
67.05504	7.4
69.07063	2.1
69.28748	1.9
69.29172	1.2
76.41822	0.5
79.05495	4.0
81.07051	6.3
83.08607	1.2
88.07588	0.5
89.05994	0.4
91.05479	2.0
93.07040	3.7
95.04936	0.6
95.08598	5.4
105.07024	1.1
107.07597	0.5
107.08590	1.6
109.10150	1.5
111.06101	0.5
119.08593	1.7
121.10154	1.8
123.11765	0.5
131.08557	0.9
133.10118	0.9
135.11699	0.9
145.10110	1.1
149.13257	0.6
150.16072	0.6
155.08508	0.6
159.11656	0.8
162.47954	0.6
200.56821	0.5
246.79218	0.5
249.10954	29.0
305.13553	3.6
335.25861	1.2
504.37546	0.8
538.49792	0.5
548.40027	0.7
583.35956	100.0
584.36517	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.8
57.07065	11.7
59.04985	4.1
60.27063	2.4
65.03918	4.2
67.05500	23.7
69.03423	8.0
69.07065	24.7
69.31334	12.9
69.37192	3.0
71.47806	2.0
77.03915	4.7
79.05479	35.8
81.07053	41.2
83.04985	12.1
83.08621	13.9
85.06532	7.4
87.81080	2.3
91.05473	61.4
93.07037	80.3
95.04958	14.9
95.08594	40.3
95.09150	4.6
96.08907	2.7
97.06518	8.6
97.10190	3.1
98.12897	2.4
103.05438	4.6
105.04527	3.9
105.07019	90.8
107.04964	3.1
107.08583	56.0
109.06491	12.7
109.10161	26.1
111.11692	3.4
115.05443	7.5
117.06999	23.6
119.08569	100.0
121.06446	3.2
121.09270	4.7
121.10137	77.6
123.08057	16.9
123.11687	11.6
125.05985	2.9
125.09586	3.7
128.06218	14.7
129.06995	17.5
130.07762	8.2
131.08569	40.0
133.06528	3.0
133.10126	52.4
135.08018	14.5
135.11673	19.9
137.09586	7.0
139.11147	3.6
141.07018	13.7
142.07779	26.8
143.08553	46.3
144.09311	10.9
145.06458	2.7
145.10110	62.1
147.08031	8.8
147.11690	16.5
149.09587	15.5
149.13289	4.9
151.07503	7.2
153.06987	5.7
153.09021	3.5
154.07726	4.6
155.08542	19.4
156.09351	20.7
157.10120	61.9
158.10867	10.8
159.08029	6.1
159.11694	31.3
161.09592	6.9
161.13232	8.5
163.11150	7.8
165.06975	8.8
165.09039	15.8
167.08623	11.9
167.10675	56.2
168.09297	10.6
169.10123	35.1
170.10847	7.8
171.11667	33.9
173.09499	3.3
173.13228	23.2
175.11179	3.9
175.14854	10.3
178.07777	3.6
179.08531	15.4
180.09334	6.5
181.10121	21.7
181.12267	7.6
182.10834	7.5
183.11676	33.2
184.12440	7.1
185.09624	3.4
185.13264	18.5
187.14771	7.3
189.12759	6.9
191.14285	6.9
192.09271	3.9
193.10107	18.1
194.10905	12.1
195.11671	27.2
196.12408	8.3
197.13226	23.2
199.11192	2.8
199.14801	19.4
201.16399	3.3
203.14368	13.4
205.10106	6.9
205.16025	3.0
206.10829	6.3
207.11655	18.2
207.13777	7.9
208.12456	11.4
209.13258	35.4
209.15208	5.1
210.13948	3.1
211.11250	4.0
211.14777	14.9
215.14313	5.4
217.10106	5.6
217.15886	10.2
218.10939	5.2
219.11655	8.8
219.17436	3.9
220.12492	8.6
221.13219	19.8
221.15358	29.0
222.13924	6.0
223.14700	13.0
224.15646	5.7
225.16429	7.3
227.14172	2.5
229.15796	3.4
231.11714	6.6
232.12407	7.1
233.13187	6.5
233.15338	17.8
235.14751	17.3
237.16379	7.8
239.14424	2.6
239.18010	5.3
243.11568	3.4
243.17317	4.2
244.12607	4.5
245.13264	9.4
246.14017	6.8
247.14780	9.5
247.17036	4.6
248.15343	3.7
249.16306	8.9
251.17914	6.3
255.17351	4.4
257.19028	6.2
258.13995	3.7
259.14728	8.0
260.15530	5.4
261.16245	9.9
263.17862	8.3
265.19437	3.6
267.17365	3.5
269.18875	4.1
271.14618	2.8
272.15472	4.1
273.16171	4.5
275.17917	10.2
279.17612	3.1
279.21024	3.0
283.20486	14.6
286.19302	3.4
289.19440	5.1
291.17374	4.2
299.20264	3.5
331.24173	6.3
349.25333	7.6
361.25143	5.6
375.26642	4.2
396.89017	2.6
491.35004	5.4
503.34866	2.9
509.34537	2.6
547.39325	3.6
565.40790	15.1
583.41571	69.6
584.41882	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44683	2.2
53.03941	3.4
55.01867	2.5
55.05511	18.8
57.07072	9.6
59.04995	4.1
65.03943	5.0
67.05502	26.4
69.03420	8.6
69.07064	24.1
69.61049	6.4
71.08640	2.3
77.03926	2.8
79.05487	36.9
81.07052	44.1
81.07514	3.6
83.04984	12.2
83.08612	14.0
85.06538	7.4
91.05477	51.2
93.07038	60.8
93.07599	3.5
95.04970	20.8
95.08600	33.7
95.77322	2.2
95.86841	2.4
97.06525	7.5
103.05492	6.3
105.04532	6.0
105.07022	90.1
107.08590	49.9
109.06509	10.9
109.10140	27.1
111.08098	3.2
115.05476	6.2
116.06264	3.1
117.07016	22.2
118.07824	2.2
119.08570	100.0
121.06509	4.8
121.10137	54.9
123.08058	16.2
123.11745	8.6
125.05988	5.0
125.09650	4.0
128.06210	14.4
129.06992	27.5
130.07793	7.4
131.08562	40.2
133.06502	4.1
133.10127	44.3
135.08006	11.3
135.11673	15.4
137.09599	14.5
141.06958	13.7
142.07773	33.6
143.08566	57.7
143.09631	4.4
144.09377	11.4
145.06490	2.3
145.10117	59.0
145.11215	4.0
145.68758	2.2
147.08029	19.0
147.08986	2.1
147.11690	20.2
149.09636	7.8
149.13272	4.5
151.07512	15.7
153.07054	6.6
154.07831	6.9
154.66174	2.2
155.08559	21.5
156.09343	23.2
157.10109	60.6
158.10944	13.0
159.08084	6.2
159.11673	33.2
161.09625	7.8
161.13293	10.1
163.11195	9.2
165.07042	10.1
165.09099	29.7
165.10197	2.5
166.07770	4.3
167.08577	18.7
167.10646	16.9
168.09303	10.9
169.10120	35.4
170.10834	11.7
171.11694	36.0
172.12413	2.5
173.09642	6.8
173.13260	26.0
175.11249	6.1
175.14833	11.1
179.08551	21.4
180.09360	7.4
181.10167	25.2
181.12201	9.8
182.10938	11.1
183.11670	36.2
184.12489	5.1
185.09633	2.8
185.13255	22.6
187.11186	3.3
187.14877	9.5
188.11874	2.6
189.12732	6.1
191.08533	3.8
191.14291	11.2
192.09381	6.9
193.10158	20.1
194.10931	16.3
195.11691	25.9
196.12485	6.9
197.13249	22.3
197.14731	2.7
199.14784	23.3
201.12665	4.1
201.16498	2.6
203.14287	11.9
205.10226	8.3
206.10942	10.5
207.11746	24.0
207.13850	7.8
208.12433	10.9
209.09819	2.7
209.13213	33.0
209.14948	3.4
210.14020	6.1
211.14816	16.7
213.12785	4.9
213.16457	4.4
215.17918	2.9
216.09216	2.6
217.10135	5.2
217.15858	13.6
218.10919	4.6
219.11702	13.0
220.12573	9.8
221.13275	20.4
221.15428	57.6
221.17397	3.6
222.14014	5.6
223.14775	14.9
225.12823	4.7
225.16443	7.4
227.14426	2.8
229.16026	2.7
230.10854	4.2
231.11696	5.9
231.17566	2.9
232.12372	4.8
233.13292	10.5
233.15236	5.3
234.14101	8.4
235.14735	15.7
236.15587	2.6
237.16415	8.5
239.17999	3.9
243.11807	6.0
244.12617	2.9
245.13368	8.0
246.14067	7.2
247.14775	13.5
248.15683	8.5
249.16359	15.9
251.17973	5.2
257.13220	3.6
257.19119	7.1
259.14859	7.3
260.15729	6.7
261.16190	11.3
262.17126	3.5
263.17984	6.8
265.19580	8.3
269.19177	2.8
271.14706	3.6
272.15656	3.4
273.16315	5.6
274.17148	4.7
275.17819	13.0
277.19476	5.0
283.15091	2.7
283.20471	18.0
285.16290	3.0
287.17474	2.7
287.20279	5.4
293.18997	3.9
295.20636	3.8
299.17831	3.2
300.21069	3.4
307.20728	4.2
331.24222	6.1
333.22034	3.6
349.25412	8.9
361.25366	2.5
375.27106	5.7
403.30026	2.8
406.15756	2.7
450.54950	2.7
491.35236	6.7
503.35785	3.2
565.40363	15.9
583.41534	81.4
584.42078	5.4
587.66632	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03953	3.6
54.13633	2.0
55.05508	18.0
57.07073	12.0
59.04996	3.5
65.03930	4.0
67.05502	30.4
69.03426	8.2
69.07065	25.0
69.14790	15.8
71.04996	2.9
77.03946	2.5
79.05486	39.8
81.07057	47.9
81.07506	3.5
83.05000	9.1
83.08612	12.5
85.06554	6.4
91.05474	62.2
93.07040	79.8
95.04956	16.5
95.08603	44.2
96.91895	2.2
97.06529	9.7
97.10167	2.4
101.06767	1.8
103.05493	6.1
105.04560	4.4
105.07024	88.4
107.04951	2.6
107.08588	62.3
109.06532	7.8
109.10146	26.1
115.05479	7.2
117.07001	25.0
117.07680	2.3
119.08575	100.0
121.06522	9.5
121.10134	78.1
121.10972	4.0
123.08072	20.1
123.11743	8.0
125.06001	3.2
125.09695	6.4
127.11215	3.5
128.06224	14.8
129.06998	24.7
130.07774	7.7
131.08563	45.4
131.09457	3.4
133.06502	4.2
133.07593	2.9
133.10124	51.9
135.08089	9.5
135.11684	16.8
137.09637	8.6
139.11244	6.2
141.06996	12.2
142.07773	28.2
143.08554	49.0
143.09613	2.8
144.09384	10.1
145.06488	2.7
145.10110	63.3
145.11208	3.3
147.08043	13.2
147.11678	21.2
149.09593	12.8
149.13246	4.1
151.07573	12.5
152.06174	2.9
153.07072	6.5
154.07800	3.6
155.08537	24.6
155.10614	2.5
156.09338	21.4
157.10112	63.0
158.10941	9.1
159.08080	8.2
159.11691	28.9
161.09636	8.2
161.13200	10.0
163.11212	9.7
165.07027	12.2
165.09132	20.6
166.07814	3.6
167.08571	15.9
167.10667	51.0
167.11984	2.9
168.09375	9.3
169.10126	37.2
170.10951	7.4
171.11661	38.6
171.13034	2.7
172.12471	3.5
173.09682	7.7
173.13219	28.7
175.11252	3.5
175.14824	16.5
178.07835	2.7
179.08530	21.3
180.09325	10.0
181.10143	20.5
181.12283	8.5
182.10925	11.2
183.11679	32.8
184.12543	8.7
185.13254	21.5
187.11244	5.2
187.14848	9.8
189.12732	5.6
191.14345	12.1
192.09396	5.4
193.10130	17.8
194.10869	16.1
195.11676	28.2
196.12468	8.6
197.13258	28.0
199.11238	5.5
199.14835	20.1
200.15294	2.3
201.12769	2.8
201.16412	5.8
203.08493	2.6
203.14297	11.5
205.10202	8.8
206.10890	13.2
207.11777	23.2
207.13828	5.5
208.12395	11.0
209.13252	28.4
209.15208	3.8
210.13966	4.8
211.14793	13.8
213.12808	4.5
213.16397	4.5
215.14355	4.4
217.10106	2.8
217.15884	13.0
218.10905	5.5
219.11790	9.5
220.12531	8.0
221.13284	21.8
221.15443	42.8
222.14053	4.5
223.14796	20.5
223.16460	1.8
224.15669	4.5
225.12796	4.1
225.16446	7.3
227.14346	4.6
230.10994	4.1
230.16455	2.1
231.11790	7.5
232.12415	4.8
233.13297	16.1
233.15453	17.3
234.14156	4.3
234.26836	2.3
235.14798	14.8
236.15552	3.0
237.16463	8.4
239.18054	6.0
243.11742	4.6
244.12488	3.4
245.13147	9.8
246.14082	7.7
247.14763	11.8
247.17061	3.2
248.15627	2.8
249.16367	12.6
251.18048	6.7
253.19626	3.5
257.13376	3.5
257.19104	7.3
258.14102	4.5
259.14856	7.7
260.15686	8.7
261.16431	12.9
263.18063	8.8
265.19629	9.3
269.19119	5.2
271.14728	3.9
271.20670	3.0
272.15598	3.5
273.16461	8.7
274.17334	3.6
275.17886	13.0
276.18500	2.2
277.19647	5.5
281.13428	2.2
281.18997	5.7
283.20560	20.9
285.18808	3.9
287.17792	3.3
289.19540	5.4
291.21188	3.5
295.20685	4.7
297.22321	2.6
299.20529	3.0
300.20798	2.5
301.19254	3.5
303.21033	2.7
313.19531	3.4
315.21527	2.8
331.24442	8.7
333.22083	3.6
341.22745	3.0
343.24176	2.9
349.25403	7.8
356.98068	2.1
361.25473	3.8
363.27103	2.3
375.27029	4.7
461.85754	2.2
491.35208	5.9
509.34653	2.9
547.39307	3.4
565.40454	16.3
566.40790	3.7
583.41650	90.4
584.41937	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01854	2.7
55.05499	20.2
57.07069	17.8
59.04987	5.5
60.14703	2.2
65.03928	5.7
67.05501	32.6
69.03441	11.6
69.07063	20.2
69.28091	13.0
77.03894	3.8
77.18719	2.1
79.02109	2.2
79.05487	34.3
80.91903	2.2
81.07050	42.5
83.04974	8.3
83.08614	12.9
85.06530	7.1
90.02618	2.3
91.05475	57.3
93.07033	69.9
95.04954	20.7
95.08596	36.5
97.06515	4.7
98.23470	3.4
99.05569	3.9
100.11256	5.1
103.05465	6.5
105.07020	93.4
106.07277	2.7
107.08589	57.5
109.06512	12.6
109.10151	25.9
115.05446	8.7
117.07010	28.2
119.08566	100.0
121.06495	9.5
121.10139	57.5
122.73991	2.4
123.08050	18.4
123.11687	8.7
125.05991	4.4
125.09676	2.7
128.06204	20.4
129.06999	26.6
130.07764	7.0
130.84615	2.3
131.08543	48.5
133.07436	2.4
133.10115	53.2
135.08041	15.1
135.11659	16.9
137.09605	12.3
138.83859	2.2
141.06956	14.8
142.07768	31.5
143.08551	54.7
144.09319	10.2
145.10106	68.7
147.08037	18.7
147.11693	20.3
149.09607	7.9
149.13257	3.6
151.07549	16.9
153.06943	8.2
154.07774	6.8
155.08539	25.0
156.09328	28.0
157.10115	73.0
158.10893	13.2
159.08072	5.9
159.11690	29.1
161.09612	8.1
161.13246	10.9
163.11160	8.2
165.06978	9.5
165.09120	32.2
166.07741	4.3
167.08560	15.5
167.10652	11.4
168.09320	13.0
169.10109	44.8
170.10899	10.2
171.11658	34.3
173.06177	2.2
173.07697	2.3
173.09604	4.6
173.13234	28.2
175.11111	4.0
175.14801	10.8
178.07779	3.3
179.08565	21.3
180.09314	7.6
181.10114	20.3
181.12216	5.4
182.10933	15.4
183.11665	36.3
184.12517	5.2
185.13219	18.4
187.11205	4.1
187.14845	6.2
189.03040	2.4
189.12726	7.2
191.08479	2.4
191.14302	10.8
192.09314	9.1
193.10143	24.4
194.10829	17.8
195.11690	31.8
196.12375	9.3
197.13216	25.7
198.14050	3.5
199.11189	2.4
199.14766	19.7
201.12775	4.3
201.16396	3.5
203.05823	3.8
203.08583	2.9
203.14281	15.9
205.10182	5.5
206.10893	10.4
207.11659	25.6
207.13799	8.6
208.12448	10.9
209.13223	36.0
210.13860	5.0
211.11151	3.6
211.14738	12.2
213.16367	4.5
216.09256	3.1
217.10129	5.9
217.15912	7.5
218.10722	4.2
219.11630	14.6
220.12415	9.8
221.13229	22.1
221.15369	57.2
221.22534	2.6
222.13914	5.9
223.14780	19.9
224.15457	3.2
225.16348	8.6
229.10184	3.2
230.10831	6.7
231.11647	9.6
231.17316	4.6
232.12457	6.7
233.13243	12.9
233.15448	6.5
234.14011	6.8
235.14691	11.7
237.16348	11.1
239.17921	5.4
243.11484	3.7
243.17526	2.7
244.12421	3.4
245.13319	11.3
246.13956	6.8
247.14775	14.4
248.15527	5.8
249.16345	10.2
251.17920	6.8
253.19534	4.4
257.13339	3.5
257.18927	6.7
259.14822	9.2
260.15509	7.3
261.16330	10.8
263.17847	8.5
265.19443	6.6
267.17163	4.0
269.18939	5.4
270.13950	3.5
271.14938	3.1
273.16287	7.2
274.17130	3.8
275.17877	11.0
276.18576	4.2
277.19421	5.8
279.17422	3.6
281.19012	3.3
283.20554	14.3
286.19327	3.4
289.19312	5.7
291.21124	4.3
293.18918	4.5
295.20532	4.3
297.16400	3.5
297.22015	4.5
299.17603	2.7
303.21048	3.0
307.20435	3.2
309.21771	3.3
315.20938	3.5
316.21500	3.5
331.24286	4.8
333.22110	2.7
349.25150	7.6
375.26944	4.2
403.29907	6.8
411.03491	2.7
491.34900	7.5
503.35269	3.6
509.33707	3.8
547.38739	3.4
565.40326	17.4
583.41431	70.1
584.41107	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.2
55.89241	2.1
57.07063	4.4
66.15068	2.1
67.05511	15.4
69.03433	4.4
69.07063	5.4
69.08383	4.6
69.08774	15.6
77.03951	2.8
79.05498	13.0
81.03448	2.4
81.07060	16.5
83.05002	3.2
83.08619	5.3
91.05476	19.1
93.07043	26.1
95.04962	7.2
95.08602	26.2
105.07029	28.1
107.04960	3.0
107.08598	18.0
109.06512	5.1
109.10157	8.8
109.58392	2.4
110.74186	2.2
114.70394	2.7
115.05473	3.1
117.06984	5.6
119.08587	26.8
119.63485	2.2
121.10149	21.2
123.08049	13.5
123.11775	3.6
128.06215	2.5
129.06999	5.9
131.08557	15.0
133.10147	18.1
133.39522	2.3
135.08064	8.1
135.11703	7.3
137.09601	6.6
142.07759	8.1
143.08601	11.9
144.09294	3.9
145.10100	22.6
147.08038	14.1
147.11723	8.6
149.09624	4.1
151.07552	18.4
155.08575	7.6
156.09288	7.2
157.10104	25.9
158.10945	2.9
159.08081	3.0
159.11688	12.1
161.09598	4.2
161.13254	6.3
163.11192	7.3
165.09103	33.0
167.08490	3.0
169.10129	10.8
170.10945	5.9
171.11693	17.8
173.13252	10.3
175.11182	3.5
175.14812	3.4
181.10185	5.1
183.11697	10.4
185.13297	11.9
187.11192	2.8
187.14818	5.0
189.12775	6.2
193.10062	6.0
194.10977	3.2
195.11778	12.1
197.13245	15.3
199.14828	4.6
203.14310	17.2
206.10849	2.8
207.11635	7.0
207.13788	6.8
208.12440	2.7
209.13310	12.0
211.14761	5.9
213.16306	2.9
219.11606	2.8
219.17355	6.2
221.13243	6.3
221.15327	54.6
223.14758	8.1
233.13081	4.6
235.14867	4.8
248.15694	4.1
259.14896	4.0
265.19522	3.4
271.20715	3.5
277.19482	3.1
279.21152	3.0
283.20435	6.9
289.19507	3.3
295.20413	3.8
297.22205	5.0
341.13229	2.8
347.23340	2.7
357.26129	2.8
365.24982	3.6
375.26993	5.0
403.29858	13.5
503.35025	3.9
509.34045	3.3
565.40356	32.6
583.41833	100.0
584.41595	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	584.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12490	1.4
69.79518	2.7
70.06582	2.4
75.35650	1.4
86.09699	1.6
89.03904	13.0
98.23390	2.7
117.03369	31.1
134.03624	3.3
136.06166	5.2
145.02829	64.1
149.05943	10.9
177.05450	100.0
178.05760	2.6
181.04895	10.3
422.24167	2.1
459.16614	1.6
497.29456	1.7
524.64703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56050	0.4
57.29007	0.5
60.49179	0.3
63.02374	0.9
65.03942	0.4
67.05507	0.4
70.06583	2.2
70.76077	0.8
81.21938	0.4
84.08141	0.9
89.03906	10.5
91.05500	0.8
106.04179	0.8
117.03368	29.0
129.10242	0.5
134.03662	2.6
135.04424	1.0
144.30688	0.4
145.02834	63.7
146.03214	1.2
149.05966	9.2
151.54659	0.4
171.06557	0.6
177.05452	100.0
178.05780	2.6
181.02573	0.5
181.04936	12.2
247.84312	0.4
273.47040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64494	3.0
70.06575	1.9
76.50566	0.9
79.05499	1.1
89.03900	7.8
105.10628	1.0
107.73257	0.9
117.03365	26.2
122.26179	1.0
134.03600	1.7
145.02834	55.6
146.03249	1.4
149.05974	8.2
161.44685	1.0
177.05449	100.0
178.05824	2.1
181.04926	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	584.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.01871	7.7
57.03426	7.5
61.02926	7.1
65.64083	0.8
68.99785	2.4
69.03423	35.8
69.03803	1.8
69.07063	1.1
71.04989	5.7
73.02906	6.8
81.03406	28.4
83.01335	1.6
85.02897	100.0
86.03230	1.2
87.00824	46.4
91.03968	1.2
97.02884	46.1
99.04443	14.7
103.03915	1.6
105.01856	81.6
109.02869	37.0
109.03642	1.3
115.03949	0.9
117.01858	2.8
127.03903	87.6
127.73503	0.8
128.50336	0.9
129.01808	4.6
139.11194	1.5
145.04942	40.8
145.06090	2.0
147.02893	1.1
159.02870	13.3
165.67204	0.9
171.02774	1.0
189.03960	2.1
190.16985	1.0
201.03925	1.1
213.03934	8.4
219.99162	0.8
231.04985	27.7
231.07268	1.7
249.06053	11.9
253.07018	2.6
260.35309	1.1
271.08136	2.1
339.29001	1.0
357.08029	1.3
419.69748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2672
Annotation	Bilirubin
Peak:m/z	Relative Intensity
61.02925	1.5
67.05507	3.8
69.03424	0.7
70.61617	1.2
72.14001	0.5
73.02905	0.9
80.10838	0.5
81.03422	1.1
81.07018	0.7
82.70842	0.6
85.02885	1.0
91.03924	0.9
97.02915	1.6
105.21288	0.6
107.24956	0.6
109.10161	3.4
127.03941	1.1
138.88690	0.5
149.01204	0.7
173.11742	1.4
195.09888	0.8
229.14294	0.8
239.96736	0.5
293.05414	0.7
413.17847	6.6
483.21902	0.7
585.27148	100.0
586.27686	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	585.2707
Annotation	kirkinine D
Peak:m/z	Relative Intensity
50.83795	1.3
56.96762	1.3
71.93197	1.3
79.05489	1.5
81.07021	1.7
87.39864	1.3
93.07043	2.6
105.07064	1.6
107.08589	2.9
119.08567	2.7
121.10134	2.0
133.10143	2.4
135.11707	1.9
145.10095	1.8
151.02136	1.4
155.24474	1.4
159.30888	1.3
183.09157	1.8
183.11607	1.8
197.10767	2.7
209.10680	2.0
210.11491	2.0
211.12184	1.7
221.10797	2.6
222.11758	1.5
223.12291	3.8
224.13052	1.4
225.13867	3.5
226.14378	2.0
235.58485	1.9
237.14017	1.8
241.09901	1.8
249.13852	3.0
265.13327	2.1
286.13513	1.7
293.15973	1.6
311.29562	1.5
315.13345	2.1
328.14536	1.8
377.17731	2.1
391.18915	2.2
404.15762	2.7
407.22403	2.1
419.18225	1.9
423.17935	1.7
433.20270	2.5
434.20605	5.8
437.19702	2.2
449.23154	3.5
451.21625	2.7
463.24820	1.9
478.19965	1.5
491.24380	5.6
493.22519	6.9
523.26471	2.2
525.24854	2.1
535.22858	1.9
539.26532	2.9
541.27960	5.4
549.24969	18.4
567.25970	100.0
568.26300	6.5
585.26117	15.1
585.37781	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	586.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
51.68680	0.8
53.03941	2.0
55.01881	1.9
55.77410	0.8
57.03431	1.1
60.03801	0.8
61.02636	1.2
61.02926	17.4
69.03429	3.9
73.02914	6.3
79.05487	3.7
81.03413	4.0
85.02911	27.4
91.03960	19.9
91.05484	12.9
93.07046	47.2
95.04949	8.6
97.02898	11.2
97.44132	0.9
103.05473	2.3
105.04502	1.2
107.04937	2.7
109.02872	2.0
121.06506	34.8
127.03897	9.5
131.04951	2.6
137.06006	0.9
139.07539	3.3
145.04950	11.9
148.18968	1.0
149.05978	75.3
150.06348	1.0
151.22542	0.9
153.09407	0.8
163.06026	21.0
163.07330	2.0
167.07042	100.0
209.08075	1.3
311.11148	3.7
325.11252	2.5
329.12363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25246	0.7
53.03947	1.0
53.35953	0.7
56.96593	0.8
61.02923	5.0
63.97475	0.7
64.46706	0.8
66.96973	0.7
69.03410	2.6
70.63577	1.7
73.02897	2.8
76.74454	0.7
77.03918	1.1
79.05485	3.1
81.03410	4.2
85.02903	11.4
91.03930	4.9
91.05464	9.1
93.07036	39.1
95.04952	7.9
97.02885	3.2
97.06529	1.1
99.04490	1.2
103.05437	1.9
105.04542	1.3
105.06962	0.9
106.49656	0.9
107.04948	3.1
121.06493	28.4
127.03909	2.8
131.04890	1.2
137.05949	0.8
139.07532	2.7
145.04904	4.7
149.05965	72.6
150.06316	1.0
163.06006	7.5
167.07024	100.0
168.07330	1.9
173.04413	1.0
196.36581	0.8
209.08093	1.4
311.11139	3.4
313.45203	0.7
325.11328	2.1
325.82004	0.8
506.43353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.07074	33.4
59.05000	0.8
63.02892	0.6
69.07066	2.5
69.66158	2.1
71.08629	25.7
71.51740	0.6
73.06552	7.5
83.04957	0.6
83.08623	2.3
85.10178	21.1
87.04459	8.3
87.08105	1.5
87.67055	0.5
89.06026	100.0
91.07586	1.2
92.93181	0.6
93.57383	0.6
97.10174	2.8
99.11708	3.7
103.07635	0.7
105.07009	1.3
107.07067	1.9
113.13300	1.7
115.10493	0.7
117.09132	7.1
117.95764	0.6
121.06506	0.7
130.08614	1.4
131.07025	2.0
133.08598	47.1
134.08966	0.8
144.69073	0.6
155.17892	4.1
161.11754	1.6
171.29449	0.6
175.09663	1.0
177.11214	18.1
179.99716	0.6
186.96745	0.7
199.20555	2.6
221.13780	3.2
239.14883	1.0
243.23230	8.4
265.16357	0.8
283.17630	2.0
287.25830	4.3
309.19162	1.0
327.20148	1.6
341.10291	1.1
363.53070	0.6
371.22980	1.0
415.25229	4.0
569.42511	5.8
586.44415	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	588.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.36073	1.9
55.01876	2.7
65.03951	3.8
67.05508	2.5
69.03417	10.5
69.99104	5.2
69.99446	2.4
74.13974	2.1
79.05503	2.7
81.03410	7.9
85.02912	11.2
87.00832	3.6
91.05490	6.8
94.04195	2.8
95.05006	3.1
95.08617	5.2
97.02907	4.6
99.04442	3.0
103.05492	2.9
105.01834	2.2
105.07016	8.5
107.04991	4.1
108.05759	2.5
109.02910	5.7
109.06568	2.9
118.39754	2.1
122.03609	4.3
123.08063	66.4
127.03899	12.1
131.04890	5.1
133.06468	24.1
137.05963	59.7
140.04597	2.7
143.55533	2.3
151.07533	100.0
159.02940	5.0
160.05128	2.7
161.05975	6.0
163.07530	8.5
175.07524	33.6
175.12355	2.7
177.05457	3.7
181.03310	3.9
181.04933	63.2
182.05273	5.2
187.07535	4.2
195.06587	2.3
198.80252	2.4
199.07555	9.9
202.07736	3.9
203.08536	8.6
219.08083	4.1
220.08817	3.2
231.08005	11.9
247.07559	3.7
248.08365	3.4
259.07553	7.5
263.10767	5.7
277.08670	4.1
291.10162	12.1
292.10733	3.1
293.08392	2.3
311.12659	6.3
323.12689	20.9
325.09384	3.4
343.10132	13.0
375.83197	2.6
393.27698	2.5
498.75284	2.7
570.35443	4.2
589.16309	3.7
617.01050	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	588.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52750	0.2
56.05031	1.4
56.27047	0.2
56.96553	0.3
57.05818	0.4
57.11715	0.3
69.07059	6.0
70.06567	0.4
71.44609	0.3
74.06070	2.9
84.04494	0.9
86.09694	100.0
87.10038	1.1
98.06052	0.8
102.05513	0.7
114.09175	0.3
116.07073	0.7
126.05498	7.5
130.04959	0.7
141.10266	0.3
144.06537	0.5
148.06020	3.3
153.06526	1.3
157.13348	5.2
169.09720	1.0
177.05438	0.5
181.04948	0.7
185.12796	0.7
197.09193	17.0
199.18076	1.2
215.10242	5.8
226.73856	0.2
227.17506	1.9
238.15508	0.7
261.14432	7.3
266.15161	0.4
282.18188	0.7
298.21017	0.3
300.19125	14.1
310.17740	0.3
328.18616	28.3
329.18976	0.8
374.22836	0.5
441.27023	1.8
469.39206	0.3
501.17889	0.2
588.41168	0.3
589.15851	0.5
611.30737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25155	0.2
56.05031	0.6
56.16442	0.2
58.06620	0.6
60.08161	6.9
62.08836	0.2
65.81012	0.2
68.94471	0.2
70.46227	0.3
71.07370	3.8
79.05482	0.2
81.07061	0.3
86.09702	31.5
87.10036	0.2
93.07068	0.2
94.04847	0.1
98.98462	3.5
104.10737	3.1
109.21101	0.2
123.08116	0.2
124.39832	0.1
124.99998	22.9
135.08037	0.2
143.01117	0.2
172.35936	0.2
179.14299	0.2
184.07332	100.0
185.07655	0.6
258.11026	0.3
570.35254	0.7
588.36566	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	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55948	0.4
55.05501	0.7
56.05025	1.6
58.06598	1.5
60.08161	16.9
69.07057	0.6
71.07366	6.4
73.50101	0.4
77.33381	0.4
81.07055	1.1
86.09702	50.7
93.07056	0.6
95.08657	0.5
98.98460	5.6
104.10737	92.6
105.07038	0.9
105.11066	0.7
106.70560	0.5
107.08564	0.8
109.06468	0.6
119.08545	0.8
121.10104	0.8
123.08052	0.9
124.99997	30.1
133.10156	0.7
135.08035	1.2
163.67592	0.5
179.14291	0.7
184.07329	100.0
185.07793	0.5
203.03261	0.5
258.10849	1.1
331.26361	1.0
382.24310	0.6
387.34109	0.5
570.35266	7.0
588.36530	27.3
589.36792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44198	0.4
53.03941	3.4
53.11221	0.4
54.11038	0.4
55.01864	3.6
57.03423	1.8
59.05670	0.3
61.02911	1.8
65.03917	0.5
67.05487	0.5
68.99760	2.0
69.03423	14.0
71.04987	2.2
72.01678	0.4
73.02916	3.1
77.03941	0.3
78.04710	0.4
79.05467	1.2
81.03413	14.1
81.07043	1.5
83.04984	0.6
85.02899	22.0
87.00819	10.5
87.04491	0.4
91.03941	0.9
91.05000	0.5
91.05478	4.4
94.04183	4.0
95.04955	1.5
97.02888	11.2
98.23425	1.1
99.04450	5.1
103.05466	3.9
104.06239	0.6
105.01853	5.6
105.07030	2.4
107.04942	1.8
109.02871	11.5
109.06506	2.3
115.03969	0.7
115.05439	3.1
117.01836	1.8
117.06998	1.2
119.04919	0.8
119.08588	3.0
122.03637	7.3
126.15610	0.4
127.03902	16.4
128.06212	2.3
129.01820	1.5
129.07010	2.7
131.04897	5.1
132.05734	2.7
133.02827	0.6
133.06479	1.5
137.05965	100.0
138.06305	1.3
139.05344	0.4
141.06953	1.9
143.04907	0.9
144.05678	0.7
145.04913	4.2
145.06018	0.5
145.06395	0.4
146.03595	0.9
146.07257	0.5
147.02829	1.0
147.04399	0.7
147.08051	3.9
149.05971	1.3
151.03917	0.7
151.07524	4.8
153.05420	0.6
155.04857	0.8
155.06104	0.5
156.05658	0.7
157.06453	1.1
158.07263	0.4
159.02887	5.6
159.08028	1.5
160.05179	2.3
161.05980	8.6
163.07538	9.6
165.05443	0.6
167.07101	0.5
167.08429	0.5
168.05640	0.5
169.06488	1.3
171.08038	1.7
172.05162	1.0
174.06725	0.9
175.07533	36.0
176.07846	0.4
177.05466	1.7
179.07014	0.9
184.05170	1.7
185.05902	0.6
187.07524	9.2
188.08322	0.5
189.03932	0.5
189.07161	1.0
189.09109	2.8
190.07774	0.5
191.08617	2.7
196.05130	0.5
197.05923	0.6
199.07527	11.8
200.08067	0.7
201.09105	4.7
202.07745	5.2
203.06786	0.7
203.08557	9.3
204.09218	0.7
205.06502	0.8
205.10144	0.6
207.07982	0.6
208.08852	0.6
209.32443	0.4
211.07559	2.1
215.08611	0.6
217.06662	0.7
217.08611	2.3
218.07269	1.4
219.08058	4.6
220.08810	2.8
221.09543	0.6
227.06952	0.5
230.07202	0.8
231.04984	1.7
231.08043	10.3
232.08742	2.0
233.05939	0.7
233.09673	0.8
234.06677	0.5
235.07617	0.7
235.11098	0.9
236.08270	0.6
237.09169	1.2
239.07130	1.0
240.07849	1.5
245.09769	0.5
247.07524	3.3
248.08321	6.7
249.09058	1.2
250.09888	0.6
251.10603	4.1
256.07361	0.8
258.06738	0.5
259.07495	6.5
260.08298	2.7
261.09146	2.0
262.09888	0.8
263.07147	0.9
263.10620	7.5
264.07880	1.2
265.08600	1.5
270.08875	1.1
271.09644	5.9
273.09045	0.7
275.07010	1.0
275.10461	0.6
276.07797	4.1
277.08560	4.3
279.10123	4.8
280.10898	1.3
281.07925	0.6
283.09814	1.1
289.08578	0.5
290.09552	0.4
291.10132	16.6
292.10861	3.4
293.08038	2.3
293.11633	1.5
295.10025	0.8
295.13278	1.3
296.10364	1.2
297.11255	0.5
307.09473	0.9
308.10522	3.1
309.11017	0.8
311.09280	0.7
311.12769	9.2
312.13062	0.4
313.14191	0.5
315.10110	0.9
321.11200	0.6
323.12744	25.4
324.13092	0.5
325.14297	6.2
335.12796	1.5
335.79947	0.4
341.13885	7.8
347.12616	0.8
365.13635	0.8
389.13583	0.5
589.16797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02160	0.3
51.02382	0.3
52.16299	0.2
52.62830	0.2
53.03931	0.5
53.73220	0.2
54.32304	0.2
55.01857	0.3
57.03448	0.5
63.02383	0.4
69.03109	0.3
69.03426	3.0
71.01344	0.3
78.33366	0.2
79.05479	0.4
79.75742	0.2
81.03398	1.3
81.57146	0.2
85.02908	1.9
87.45305	0.2
89.03905	3.2
91.05486	0.4
97.02889	7.1
97.03465	0.3
99.04459	0.4
107.04959	1.5
109.02857	0.3
117.03363	4.5
119.04882	0.4
119.10156	0.2
121.06501	0.3
127.03916	0.7
131.01511	0.2
133.05229	0.3
135.04401	10.0
137.05956	1.1
145.01677	0.4
145.02831	9.1
145.05093	0.5
146.06013	1.0
149.05980	0.3
151.06291	0.5
160.04066	0.3
160.07623	0.4
163.03883	63.0
164.04268	0.7
166.08627	1.9
174.05495	4.5
175.06261	3.9
176.07091	2.0
181.04906	1.4
187.06302	0.4
188.07030	3.7
189.07822	0.5
192.60503	0.3
202.08607	1.1
206.08102	79.6
207.08372	1.3
220.09686	5.2
220.57553	0.3
229.09584	0.4
230.08049	1.2
233.09030	0.3
234.09561	0.3
247.10767	3.2
248.09148	88.1
249.09492	1.9
265.11804	100.0
266.12143	2.4
307.08041	0.9
307.11423	0.2
325.09116	10.1
427.17139	0.5
438.52469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34818	0.5
58.78963	0.6
69.03382	1.3
69.86983	1.6
70.06541	0.6
74.48792	0.5
81.03357	1.1
85.02820	1.9
88.33981	0.5
96.01817	0.8
97.02841	1.2
98.22742	1.0
103.77520	0.6
105.06945	0.7
109.02788	1.2
127.03870	0.7
133.72545	0.5
159.20969	0.6
167.03061	1.5
169.04640	1.9
184.03366	0.8
185.04199	4.8
213.03545	1.0
227.05220	3.1
271.04144	1.7
329.08484	2.8
341.15659	1.3
347.09442	19.3
371.09491	3.9
389.10501	57.3
390.10593	1.5
407.11536	1.3
415.08267	1.8
433.09485	100.0
434.09790	2.2
451.10892	2.7
451.16223	0.6
503.20862	1.8
545.21936	29.7
546.22046	1.3
589.20996	88.4
590.21521	3.6
602.99335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01862	7.7
55.30344	1.5
57.03433	7.7
61.02920	8.1
68.99785	4.4
69.03426	33.9
70.01434	3.9
71.01344	1.7
71.04990	3.7
73.02906	6.2
79.05471	2.1
81.03414	20.7
81.07048	1.4
85.02898	100.0
87.00287	1.9
87.00820	37.4
87.04507	1.8
89.03863	2.8
91.05470	3.3
95.04963	1.8
97.02884	44.3
98.03225	3.0
98.22823	2.2
99.04433	11.5
101.18244	1.4
103.03926	9.2
105.01858	56.0
105.03369	10.5
107.08547	1.6
109.02867	27.0
111.04460	2.0
117.01859	1.8
117.03409	3.8
118.03726	1.6
121.06502	1.6
123.04439	1.5
126.05549	1.6
127.03905	56.0
129.01816	6.5
131.08554	1.7
135.04410	11.1
135.08047	12.5
136.04727	3.3
142.07668	1.5
143.08528	2.0
145.02887	7.8
145.04950	27.8
145.06154	2.7
146.03148	3.9
147.02907	6.5
152.10716	1.6
159.02933	8.7
159.06894	2.0
159.08064	17.2
161.06033	2.3
163.03891	56.8
163.07521	36.3
164.04237	30.1
166.08597	2.9
171.02924	1.9
173.09550	2.3
174.05484	5.3
175.06189	3.9
175.07573	1.6
176.06789	2.1
177.09125	3.9
180.10150	2.4
181.04982	3.9
187.07527	47.3
188.06981	1.8
189.03941	18.3
196.77484	1.4
199.07573	7.9
201.09048	6.8
205.08569	19.1
206.08105	68.6
207.08450	44.0
213.03886	5.0
220.09612	2.9
225.09109	6.3
229.08537	19.7
231.04980	16.7
248.09158	68.3
249.06215	3.9
249.09491	56.8
253.08720	14.5
258.05859	2.9
265.11810	77.3
266.12140	60.8
271.09634	14.4
325.05804	1.4
325.09015	7.3
326.09576	7.3
362.06906	3.0
375.10703	3.2
376.06870	2.2
421.76993	1.6
590.29669	20.5
610.82092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33875	0.6
64.47512	0.7
71.42132	0.7
93.07103	0.7
94.84059	0.6
103.02859	0.6
112.83559	0.7
121.06524	1.5
149.05968	1.6
170.03378	0.7
188.04440	1.9
189.05162	3.7
203.05298	2.4
237.33380	0.6
268.60202	0.6
333.09381	1.3
347.65247	0.7
351.10428	6.7
513.15613	0.9
531.14960	88.0
532.15509	3.8
591.16980	100.0
592.17291	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	591.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58247	1.0
69.34340	2.3
69.34747	4.1
80.57558	1.0
84.66521	1.0
98.22701	2.3
99.21384	0.9
128.15204	1.0
136.90036	1.0
163.03821	1.0
178.81422	1.1
222.39130	1.1
223.36850	1.0
331.51346	1.2
451.87805	1.4
531.14716	84.9
532.14929	3.7
541.51349	1.2
591.16742	100.0
592.17206	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	591.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.7
57.62655	1.7
84.12651	1.7
98.97554	9.1
116.98615	2.9
118.06524	19.8
124.77191	1.8
129.92018	1.7
130.06516	3.4
132.08092	4.2
143.07312	3.9
144.08057	11.2
145.02908	1.9
146.05991	61.4
159.09178	4.4
170.06006	4.0
174.02284	2.0
177.05492	2.3
181.04990	3.3
188.07056	100.0
189.07306	2.4
205.09694	34.7
217.06506	3.0
237.02829	4.1
261.05463	19.8
279.06384	13.0
303.06442	16.3
414.07156	2.1
591.18909	12.3
611.00342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59691	1.3
84.01830	0.6
85.02837	1.2
91.05412	0.8
93.06982	1.4
97.02808	0.6
118.87700	0.6
121.06515	6.7
125.02068	0.7
131.04932	0.6
149.04883	0.7
149.05968	11.9
169.04681	1.0
170.03305	2.3
171.04128	1.5
185.04205	4.0
188.04434	10.2
189.05238	18.0
203.05281	12.0
208.13068	0.6
273.43771	0.5
285.20670	0.6
305.27652	0.6
323.11169	1.6
333.09430	9.4
351.10477	25.1
352.10873	1.2
365.10507	6.0
369.11588	4.2
387.34354	0.7
394.30548	0.7
407.12085	1.1
513.15894	4.1
531.16840	100.0
532.17230	4.8
591.18933	53.7
592.19073	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	591.2599
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05497	1.1
55.77298	0.2
67.05506	2.4
69.07062	0.9
69.97612	0.8
71.08636	0.4
76.88142	0.3
79.05492	0.7
81.07053	1.6
83.08630	0.4
89.06041	0.5
91.05475	0.6
93.07040	1.1
93.97083	0.3
95.08607	1.5
105.07021	0.9
107.08598	0.7
109.10133	0.7
117.07021	0.5
119.08607	0.7
121.10223	0.4
129.07014	0.7
131.08586	0.7
133.10185	0.5
135.11705	0.3
141.07007	0.7
143.08566	1.0
145.10130	1.1
147.11678	0.3
155.08568	1.1
157.10127	0.9
159.11707	0.8
167.08530	0.8
169.10172	1.7
171.11743	0.7
181.10173	0.9
182.11003	0.3
183.11646	1.5
185.13272	0.5
193.10149	0.3
195.11658	0.7
197.13228	1.4
199.14830	0.5
207.11659	0.5
209.13240	0.9
211.14803	1.0
221.13226	0.3
223.14848	0.8
225.16306	0.5
235.14793	0.4
237.16446	0.5
239.17972	0.4
249.16257	0.3
251.18228	0.4
293.99957	0.3
401.17740	1.3
402.18863	0.4
404.21146	0.4
413.17346	0.4
414.18481	1.1
415.19196	3.9
416.19778	2.1
417.20816	0.6
419.22781	0.4
427.19119	0.4
428.20105	0.4
429.20810	6.6
429.26544	0.4
430.21494	4.5
431.22339	1.2
433.24084	0.6
443.23322	2.0
444.23700	5.5
445.24072	4.4
448.26398	0.6
457.20306	1.2
458.20142	0.5
458.25528	0.6
459.21469	3.2
459.25897	2.6
460.22281	0.3
461.23376	0.8
471.21887	0.5
472.22607	2.7
473.23480	5.1
474.24692	1.8
475.24835	1.0
485.23495	0.7
486.24603	0.7
487.24915	17.1
488.25671	0.6
489.22910	1.8
490.23441	0.7
503.24365	1.2
513.22815	0.4
515.24274	0.8
517.22473	0.8
517.40204	1.2
518.23138	0.4
531.23883	10.5
532.24652	4.0
535.41626	1.8
555.41400	0.5
559.23297	0.4
573.43140	0.7
576.23108	0.3
591.25952	100.0
591.43799	11.3
592.26245	5.9
592.43317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
57.03433	0.5
60.04557	0.3
66.06809	0.3
67.05502	1.1
69.07044	0.4
69.37473	1.2
69.37876	0.7
71.71297	0.3
78.22383	0.3
79.05465	0.5
80.05046	0.4
81.07041	1.1
86.74566	0.4
91.05467	0.9
93.07050	0.8
93.51275	0.3
95.08600	0.8
98.98460	5.0
105.07054	0.5
107.08544	0.6
117.06999	0.6
118.06519	1.7
119.07312	1.0
124.99995	14.3
134.09648	15.4
144.08072	8.4
145.08865	4.2
158.09607	0.4
160.11206	94.1
161.11560	1.5
162.08862	0.3
178.12259	6.0
258.08893	100.0
259.09210	1.4
337.27231	1.4
380.47913	0.3
405.17386	0.4
542.01172	0.3
574.32574	0.5
592.34235	1.5
593.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77266	0.6
63.15161	0.6
77.67885	0.5
209.16782	0.7
248.46539	0.7
269.47928	0.7
275.30359	0.6
389.17624	0.8
397.56754	0.7
403.19299	2.2
404.19879	1.0
405.20715	1.7
417.20917	2.9
418.21582	1.7
419.22318	2.0
430.18173	0.9
431.18210	4.6
432.19153	1.9
433.24158	5.0
434.24768	1.5
444.19525	0.6
445.19946	7.0
446.21011	2.8
447.21851	2.8
459.21979	2.7
460.22400	8.1
461.23160	8.6
473.23489	1.9
476.25668	1.5
477.22281	0.7
487.24857	1.3
492.24707	0.9
505.21671	3.1
533.25439	37.9
534.25861	3.8
561.24939	0.7
593.27539	100.0
594.27960	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.73655	0.6
69.83878	1.0
69.84264	1.1
80.81748	0.5
102.65146	0.5
104.25166	0.6
107.57314	0.6
157.86758	0.6
194.28984	0.5
284.37042	0.5
299.14227	0.5
387.11813	0.6
388.16940	0.9
389.17746	1.1
390.18057	0.7
402.18149	1.4
403.19336	4.3
404.20023	1.8
405.20703	2.8
406.22150	0.5
416.20465	0.9
417.15964	0.9
417.21332	5.5
418.21387	1.9
419.22427	4.6
420.23151	0.6
430.17892	0.9
431.18213	13.2
431.23727	1.0
432.18829	3.7
433.18600	0.5
433.24304	7.9
434.25040	2.5
445.19965	12.9
446.20685	6.9
447.21652	10.1
448.22324	0.8
459.21179	5.0
460.22531	19.9
461.23328	17.2
462.24380	1.2
473.23654	3.7
474.23788	1.4
476.25729	2.0
477.26794	0.9
487.25049	2.3
489.26627	1.1
491.24707	1.5
492.25424	2.4
505.21918	10.5
515.23907	0.7
518.23602	0.9
519.23840	1.8
533.25458	48.3
534.25818	3.4
547.26453	0.7
561.24902	0.9
564.23071	0.7
565.28320	1.2
578.26178	0.7
593.27551	100.0
594.27722	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	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86212	0.3
70.71359	0.3
70.71671	0.3
155.81668	0.3
258.02939	0.3
279.12158	0.3
297.18475	0.3
384.66220	0.3
387.16016	0.6
389.17548	1.0
401.17612	0.6
402.18170	0.6
403.19186	2.5
404.19891	1.2
405.20755	1.7
416.20313	0.6
417.16653	1.2
417.21524	2.9
418.21741	1.6
419.22501	3.5
429.16757	0.4
430.17755	1.0
431.12497	0.3
431.18219	8.3
432.18576	2.6
433.24121	7.5
434.24640	2.5
445.19788	8.6
446.20529	5.1
447.21613	7.4
447.27026	0.4
448.22696	0.9
459.21411	3.7
460.22525	16.8
461.23178	14.7
462.23923	1.1
463.21286	0.5
464.22299	0.4
473.23651	3.4
474.24155	1.2
476.25961	1.8
477.22513	1.0
477.27451	0.5
487.25461	1.5
488.24896	0.5
489.26721	1.5
491.24353	1.3
492.25342	2.3
493.26154	0.6
504.24777	0.3
505.21994	10.1
506.22226	0.7
515.24487	1.0
517.25641	0.4
518.23010	1.2
519.23859	1.3
533.25464	47.2
534.25806	3.2
535.23218	0.5
547.27448	0.5
549.21057	0.4
561.25134	0.4
563.23016	0.5
564.23743	1.1
565.28119	0.9
575.26605	0.5
578.24646	0.6
593.27527	100.0
594.27753	6.5
617.05536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.66233	0.3
68.26173	0.3
132.65141	0.3
250.93542	0.3
384.81616	0.3
387.16052	0.5
388.16962	0.4
389.17612	1.0
390.18307	0.5
402.18527	0.9
403.19189	3.5
404.20016	1.6
405.20782	2.1
415.19617	0.5
416.20126	1.0
417.16440	1.2
417.21518	4.0
418.21884	2.2
419.22357	5.0
420.22723	0.6
429.20944	0.5
430.17798	1.1
431.18225	10.1
432.18619	2.8
433.24084	7.4
434.24884	1.6
444.19086	0.7
445.19858	11.4
446.20743	6.1
447.21652	8.5
459.21509	4.8
460.22513	17.9
461.23212	14.3
462.23840	1.1
463.20706	0.4
473.23810	3.2
474.24127	1.5
476.25845	1.5
477.22150	0.9
477.27344	0.6
487.24966	1.2
488.25546	0.8
489.26328	1.3
491.19470	0.4
491.25290	0.6
492.25146	2.0
504.21469	0.4
505.21985	10.0
506.22168	0.7
515.24420	0.6
518.23157	1.0
519.24005	1.1
533.25470	35.6
534.25824	4.1
547.26782	0.7
549.21014	0.4
561.24628	0.4
564.23541	1.2
565.28259	1.0
575.26801	0.5
578.25208	0.5
593.27527	100.0
594.27814	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	594.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
55.37976	0.2
55.89007	0.2
67.05492	1.1
69.07059	0.5
79.05487	0.6
81.07053	0.8
91.05484	0.8
93.07037	0.3
95.08591	0.7
98.98464	4.7
104.10761	0.4
105.07011	0.3
107.08588	0.5
109.11444	0.2
117.07023	0.4
118.06548	1.5
119.07331	1.3
124.99995	13.8
131.08604	0.3
132.08089	0.4
134.09650	14.7
144.08073	7.7
145.08867	4.0
160.11205	89.3
161.11513	1.9
178.12248	5.5
178.13763	0.4
190.15636	0.3
190.17099	0.3
193.59154	0.2
223.47899	0.3
226.88774	0.3
229.34106	0.3
243.62738	0.3
249.41269	0.3
256.26486	0.3
258.08890	100.0
259.09262	2.1
268.07797	0.3
298.04553	0.2
332.12671	0.4
337.70038	0.2
394.49338	0.2
402.09113	0.3
576.34332	1.0
576.45868	0.3
594.27179	0.3
594.35260	1.9
594.44220	0.4
595.27814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	1.3
67.05506	2.4
69.07047	0.9
73.66123	0.4
79.05465	1.6
81.07056	2.0
81.64462	0.4
83.08633	0.5
91.05460	2.0
93.07014	1.5
95.04895	0.5
95.08570	1.9
98.98461	3.1
105.07004	1.3
107.08574	1.4
109.10162	0.4
113.69765	0.4
115.05386	0.5
117.07014	1.0
118.06512	3.9
119.07330	2.7
124.99995	11.6
125.99104	0.4
130.06538	0.6
132.08076	0.9
133.10106	0.5
134.09642	30.2
138.60333	0.4
144.08083	11.2
144.51099	0.4
145.08884	5.5
145.10043	0.6
160.11203	100.0
161.11571	1.6
162.09102	0.7
178.12256	81.2
179.12550	1.9
221.08125	0.4
256.26248	0.6
258.08893	69.5
259.09268	1.7
259.20364	0.5
295.09109	0.4
332.12622	0.7
333.24451	0.8
389.39264	0.4
414.41754	0.5
534.26147	0.6
543.01422	0.5
562.81372	0.4
576.34259	5.1
594.27667	1.9
594.35614	19.1
595.28058	1.1
595.36230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.9
64.09930	1.3
67.05505	8.7
69.07063	2.0
69.09257	3.1
69.09651	8.9
71.04972	1.4
79.05482	9.1
81.07047	10.4
83.08594	2.0
91.05479	8.7
93.07036	12.3
95.04961	3.0
95.08601	9.7
98.98460	3.5
105.03407	1.8
105.07011	9.7
107.08604	7.6
109.10165	2.3
117.07039	5.0
118.06544	4.3
119.07336	2.1
119.08572	7.6
121.06588	1.4
121.10149	2.8
122.79076	1.6
124.99979	9.7
131.08472	1.8
133.10127	5.5
134.09653	28.0
134.10596	2.1
135.11650	8.6
143.08472	1.7
144.08067	12.5
145.08878	4.8
145.10138	5.0
147.11693	4.9
149.05927	1.8
160.11206	100.0
161.11581	2.6
161.13292	2.5
163.11176	7.5
178.12254	75.0
195.29942	1.4
195.48848	1.5
227.12788	15.9
241.19540	5.1
258.08896	78.5
259.20605	6.4
265.49539	1.6
283.15472	7.0
313.27362	2.6
333.24323	13.0
338.80594	1.8
415.22314	2.2
439.98505	2.1
455.32709	1.6
541.34991	4.7
576.34534	3.2
594.27301	4.0
594.35431	18.1
595.28058	6.1
598.78699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03938	0.3
63.02388	0.1
64.06846	0.2
65.03927	1.6
69.03410	1.2
70.59151	0.2
70.59464	0.2
81.03412	3.9
85.02888	1.0
91.05473	11.6
97.02885	0.6
99.04460	0.3
109.02846	1.1
111.00807	0.2
119.04932	27.2
120.05230	0.5
121.02872	0.9
127.03900	0.5
137.02321	0.2
147.04393	100.0
148.04745	1.8
153.01781	0.8
165.01836	0.7
165.05453	2.6
183.02917	0.3
185.05984	0.2
213.05455	0.4
214.79955	0.2
231.06566	0.2
241.04913	0.2
258.05441	0.3
287.05469	21.4
288.05878	0.6
291.08575	5.2
309.09686	1.9
323.12787	0.2
329.06433	0.3
602.55560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
68.99771	0.5
69.03432	1.5
69.20423	0.2
69.25486	1.1
77.24698	0.2
81.03423	1.7
85.02891	0.5
91.05473	15.4
92.05811	0.3
95.04925	0.3
97.02905	0.5
99.04330	0.2
100.80824	0.3
109.02852	0.7
109.84900	0.2
119.04935	31.4
120.05276	0.8
121.02864	1.6
127.03928	0.5
137.02303	0.6
145.06454	0.2
147.04396	100.0
148.04707	1.8
153.01790	2.2
158.71611	0.3
165.01784	1.3
165.05457	0.6
168.04185	0.2
183.02911	0.5
190.08702	0.2
213.05472	0.9
231.06503	0.6
241.05037	0.3
258.05353	0.7
280.70081	0.2
287.05475	51.2
288.05841	1.9
291.08578	1.9
305.96713	0.3
309.09753	0.3
311.01929	0.2
329.06418	0.5
368.17300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.23071	0.3
52.91082	0.2
57.03421	1.3
61.02918	1.9
68.99782	0.5
69.03413	0.6
71.00674	0.5
71.04985	8.3
73.02908	0.9
75.04443	0.5
78.86366	0.3
81.03413	0.4
83.04944	0.5
85.02898	10.4
91.03952	0.8
95.34158	0.2
97.02882	0.9
107.04931	0.4
111.00803	0.3
115.42870	0.3
121.02875	1.3
127.03925	0.4
129.05437	2.1
135.04420	0.4
137.02280	0.5
145.05006	0.3
147.04366	0.3
147.06509	0.9
153.01807	3.8
165.01819	1.2
183.02884	0.8
185.05917	0.4
197.52522	0.3
213.05508	1.1
228.33298	0.3
231.06583	0.6
241.04906	0.8
258.05301	0.7
259.05972	0.3
287.05460	100.0
288.05838	2.3
299.05450	0.4
357.49847	0.3
449.10803	0.4
491.55051	0.4
558.81268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03421	1.7
59.73217	0.4
68.32235	0.4
69.03438	1.0
69.98660	1.3
71.04989	10.9
83.04991	0.4
85.02899	14.2
87.02719	0.4
97.02911	0.8
99.04475	0.5
105.03454	0.4
111.67932	0.5
119.07322	0.5
121.02858	1.8
127.03902	0.6
129.05476	4.6
145.04985	0.8
147.06534	1.1
153.01836	2.5
157.06439	0.7
165.01826	1.1
183.02892	0.6
213.05408	0.9
224.14922	0.4
231.06662	0.6
241.05002	0.5
258.05264	0.7
287.05478	100.0
288.05838	2.3
393.21964	0.4
402.47290	0.5
439.27200	0.5
449.10687	0.5
475.76877	0.5
499.24918	0.5
520.96307	0.4
553.55164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03935	0.8
53.25476	0.3
53.80898	0.3
57.03428	1.6
57.21557	0.3
61.02920	0.7
68.99792	0.5
69.03433	2.1
70.06577	0.5
70.62377	0.3
71.04987	9.7
73.02900	0.5
75.04471	0.6
81.03391	1.2
81.07048	0.3
83.04955	0.7
85.02899	17.3
87.04462	0.5
93.07013	0.8
97.02877	2.3
99.04441	0.7
105.01825	0.7
107.04956	0.4
107.08563	0.9
109.02844	1.3
111.00771	0.5
111.04460	0.4
121.02888	2.4
121.10158	0.6
127.03908	1.9
129.05452	3.1
131.85588	0.3
133.02884	0.4
137.02365	0.8
145.04979	0.9
147.06529	0.7
149.09645	0.4
153.01808	2.0
165.01819	1.5
167.10690	0.3
179.04420	0.3
183.02861	0.6
185.05977	0.5
203.10312	0.3
213.05446	0.9
232.99016	0.4
241.04951	1.1
258.05264	0.9
259.05942	0.5
266.38144	0.3
271.06018	1.3
283.05841	1.5
284.06711	0.7
287.05475	100.0
288.05875	3.0
291.43631	0.4
295.06006	1.3
297.07516	0.4
303.85342	0.3
311.05423	0.5
313.06982	3.6
329.06491	1.0
337.07095	0.7
351.08508	0.5
397.09305	0.6
415.10138	0.9
433.11209	3.1
484.12823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.69866	0.1
68.99785	0.2
70.48842	0.2
70.98861	0.2
107.83130	0.1
115.05450	0.2
121.02848	0.4
129.07028	0.2
137.02364	1.7
137.03368	0.3
143.04910	0.2
149.02327	0.3
157.06493	0.4
161.05965	0.2
163.03911	0.4
167.30562	0.2
171.04434	0.3
175.03828	0.2
177.01888	0.2
185.05980	0.5
189.05434	0.3
199.03853	0.2
204.81937	0.2
213.05455	1.6
216.04201	0.3
231.06403	0.7
241.04944	0.7
242.05597	0.2
259.06097	0.2
269.04175	0.2
287.05475	100.0
288.05804	2.6
449.10623	1.4
595.16101	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	595.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01858	2.6
55.05499	2.9
57.03182	0.9
57.03434	12.5
58.73275	0.7
59.04988	1.2
61.02921	3.8
66.22611	0.7
69.03425	26.4
69.39862	4.1
71.01346	2.5
71.04987	40.1
73.02912	16.7
75.04485	7.8
79.05499	1.0
81.03419	4.9
82.54494	0.7
83.04974	17.0
85.02897	100.0
87.04456	3.7
91.05456	5.8
95.04965	1.4
97.02882	23.2
98.23506	0.9
99.04455	3.2
101.06004	2.0
103.03944	2.6
105.07008	2.4
109.02872	1.7
111.04433	12.6
113.02378	2.0
113.06039	1.1
115.03925	16.8
115.05304	0.6
117.07015	0.9
119.04919	4.6
121.06493	1.8
123.04439	1.7
127.03928	7.6
129.05469	30.1
129.07011	2.0
133.04955	4.3
133.06506	2.4
135.04469	0.9
137.02374	1.5
137.05968	37.4
139.03885	3.7
143.04924	1.1
145.04926	4.5
145.06535	0.9
147.06509	23.4
149.05969	4.3
151.03922	1.0
151.07521	10.4
151.08595	1.2
153.05463	1.0
155.06984	3.9
157.04991	1.2
157.06491	2.3
160.05333	0.8
161.05966	7.6
163.03917	0.9
163.06110	1.3
163.07491	1.6
165.05453	6.2
165.07549	1.8
167.06984	3.9
169.04996	1.7
169.06589	1.1
171.06535	2.1
171.08002	1.4
173.05948	1.8
175.07594	3.0
177.05464	1.3
179.07021	17.0
181.05054	0.8
185.06021	2.5
187.07521	1.5
189.05524	1.6
191.06972	4.3
197.08165	1.3
199.07625	1.5
203.07025	5.4
205.08618	1.2
207.06589	1.0
213.05475	1.9
215.06995	0.9
217.08635	1.6
221.08043	6.8
225.07561	8.0
227.07137	0.9
231.06624	1.0
233.08029	4.9
237.07808	0.9
243.08554	5.7
245.08118	3.7
247.09683	5.5
251.09094	4.7
255.08723	1.9
259.02728	0.8
259.08185	0.9
261.09644	1.8
263.09079	7.7
265.10669	3.5
272.21628	0.8
273.09775	1.8
279.10724	9.1
281.10239	3.2
283.11758	0.9
287.05469	96.1
288.05963	2.7
299.11221	1.5
301.12817	1.2
309.11844	4.4
317.12234	2.5
449.11154	0.8
595.16602	2.7
610.97534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.7
55.27187	4.3
61.02916	6.3
67.05492	22.3
69.03418	14.0
71.98271	3.6
73.81390	3.6
81.03409	89.6
81.07040	5.3
83.36545	3.4
85.02892	29.1
85.36090	3.5
87.00832	13.6
91.05479	11.5
93.07054	6.1
95.04958	71.6
95.08598	5.8
97.02877	9.4
97.06531	7.4
99.04437	6.0
105.01880	10.6
105.07024	5.6
107.08610	5.6
109.02872	7.2
109.06458	6.2
117.07015	4.7
119.04940	6.3
119.08596	9.3
121.06496	18.5
123.08073	8.8
127.03887	18.0
131.04907	4.1
133.10088	10.4
137.05939	5.6
145.05000	5.7
145.10150	4.8
147.04404	22.3
147.08058	6.7
147.11656	5.2
149.09654	9.6
157.10117	6.4
159.08020	6.7
159.11720	8.7
161.09628	13.6
161.13330	4.5
163.07635	4.8
171.11700	8.8
173.09607	10.7
173.89568	4.2
175.07420	3.6
175.11220	6.0
177.12688	8.8
183.08154	4.9
183.11771	5.3
185.09622	12.5
187.11215	13.3
189.09090	6.0
189.12706	15.9
195.08125	4.4
197.09605	4.6
199.11223	26.6
201.12532	5.8
205.12152	4.7
209.09508	4.9
211.11148	4.8
213.12750	5.8
215.10628	6.2
217.12210	29.1
225.12669	6.5
227.10591	7.4
229.12186	29.3
235.13235	5.3
255.13780	4.3
265.15829	4.9
271.16904	7.5
281.15332	9.0
283.16830	28.4
287.05441	9.4
293.15109	6.9
299.16415	23.3
311.16376	100.0
311.19925	5.3
317.17389	25.2
329.17438	71.1
347.18469	9.1
565.10968	4.6
595.25397	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	595.2551
Annotation	Salasol B
Peak:m/z	Relative Intensity
57.73148	0.5
70.06585	1.1
70.37244	0.4
79.05475	0.6
81.07054	0.6
91.21690	0.5
93.07045	0.5
105.07069	0.7
108.31716	0.5
115.33560	0.4
120.98331	0.7
133.10139	0.6
145.97630	0.5
156.77493	0.5
172.04062	0.5
202.32216	0.5
209.31354	0.5
216.76640	0.5
228.39217	0.5
305.20313	0.5
306.56271	0.5
312.55771	0.5
353.06830	0.5
375.16248	0.6
376.16837	0.5
377.17599	1.6
378.18890	0.6
379.19327	0.6
390.18536	1.0
391.19418	3.3
392.20465	0.9
393.20963	2.2
405.16522	3.6
405.21136	1.3
406.17868	1.8
407.17813	1.0
407.19617	0.9
407.22855	4.1
408.22998	1.0
418.18002	1.0
419.18427	3.7
419.23517	0.5
420.19498	2.6
421.20261	3.7
433.16135	2.8
433.21371	4.3
434.21402	4.6
435.21780	8.8
436.22577	1.1
447.17276	3.7
448.19086	1.9
449.19577	2.9
461.19647	2.4
462.10269	0.5
462.20529	8.0
463.20993	4.3
465.18582	0.6
475.21164	1.6
478.23248	1.3
479.20929	1.8
489.22702	1.6
505.84909	0.6
507.23608	5.3
520.21149	0.7
535.23389	23.4
536.23761	1.9
554.21594	0.5
567.25989	2.7
595.25458	100.0
596.25720	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.6
57.03423	7.5
59.04994	6.1
64.63472	3.8
65.03941	3.7
67.05502	34.2
68.79608	3.2
69.07056	15.7
70.03603	7.3
71.04972	3.0
72.38934	3.0
72.70254	3.1
79.05490	29.9
81.03427	9.9
81.07059	39.6
83.08605	7.9
85.02909	3.5
87.04455	10.6
91.05474	19.7
93.07039	34.7
95.04974	5.1
95.08607	29.5
98.23405	5.6
98.98473	50.6
102.47085	3.6
105.07021	12.7
107.08611	18.6
109.02856	6.9
109.10150	14.0
110.01467	3.4
119.08582	12.7
121.10143	13.7
123.11750	5.2
131.08534	6.7
133.10181	8.0
135.11661	12.4
145.10057	4.4
147.11690	6.4
149.02336	4.0
149.13205	5.1
155.01024	21.2
161.13260	5.8
163.14893	3.9
173.13318	3.6
226.29117	3.6
243.21144	7.2
261.03711	7.1
261.22153	19.8
317.06229	4.3
317.24634	5.5
335.07529	3.4
335.25769	100.0
336.26074	4.0
378.80038	4.2
565.11346	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01382	1.9
53.03926	2.5
55.05510	11.6
57.03428	7.7
62.04798	2.3
67.05501	35.8
69.07062	7.6
69.15538	9.0
69.15957	4.2
76.64275	2.0
79.05494	21.5
79.80176	2.3
81.03409	9.2
81.07056	38.8
83.08604	2.6
91.05487	10.6
93.07034	23.6
95.04967	3.4
95.08600	27.6
98.98460	29.3
100.94447	1.9
105.07018	7.1
107.08595	12.5
109.02881	8.7
109.10163	10.8
117.07020	2.4
117.24519	2.6
119.08559	6.2
121.10117	11.5
123.11704	4.8
127.03912	4.7
133.10123	4.9
135.11691	8.0
145.04941	2.3
145.10106	5.5
147.11716	4.0
149.13206	4.0
155.00981	3.6
161.13266	2.5
163.06021	4.0
173.02141	2.6
173.13150	2.5
187.14827	2.7
243.21007	3.0
261.03763	9.1
261.22147	9.2
273.26886	2.5
287.68295	2.0
335.07346	4.5
335.25775	100.0
336.26086	5.5
426.46439	2.2
595.47223	4.6
603.89148	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	595.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.4
67.05501	70.6
68.02308	8.8
69.07059	15.3
79.05494	83.1
81.07047	65.7
91.05492	48.4
93.07047	100.0
95.04985	13.0
95.08620	37.3
105.07023	17.6
107.08568	17.9
109.13515	8.8
116.78941	8.6
119.08562	18.7
121.10168	33.2
126.29472	8.5
131.08501	13.7
133.10112	12.0
135.11685	22.8
145.10178	10.8
169.76967	9.5
320.16891	11.0
411.81339	10.7
505.21289	12.0
595.46796	71.1
613.59021	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	596.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.01865	1.7
57.03409	1.2
61.02900	1.6
68.99749	0.7
69.03428	8.3
69.07059	6.4
69.50002	1.7
71.04981	0.6
73.02894	1.1
81.03413	6.1
81.07036	1.3
83.04969	0.5
85.02900	24.1
87.00825	11.3
87.04446	0.5
97.02881	9.8
99.04446	2.7
103.03884	0.4
105.01862	19.0
108.08101	0.6
109.02866	9.1
109.06490	0.4
115.03886	0.4
117.01854	0.6
120.08147	0.5
122.05939	0.6
123.04418	0.5
123.11683	1.8
127.03905	19.4
129.01837	1.0
131.52460	0.4
133.10004	0.4
140.07040	2.6
145.04950	7.8
146.05974	0.4
147.02872	0.7
147.04405	0.4
148.07538	0.5
151.11151	4.1
159.02859	2.8
163.59747	0.4
164.65733	0.4
174.05470	0.4
177.03963	0.4
177.05412	0.9
189.03851	1.0
191.58200	0.4
195.08971	0.4
196.80556	0.4
208.09900	0.6
209.10733	0.4
211.12206	0.4
213.03885	1.8
223.08636	0.8
223.12288	2.1
224.09483	1.2
224.12929	0.6
225.10201	3.6
225.13756	0.4
226.10977	1.2
231.04961	6.0
235.08633	1.8
236.09357	2.6
237.10207	4.5
237.13937	0.5
238.08591	0.5
238.11012	7.1
239.11780	7.1
240.12451	1.2
241.13358	0.6
249.06094	2.4
249.10252	1.5
250.10982	2.1
251.11768	33.4
252.12514	10.3
253.07233	0.7
253.09637	2.2
253.13347	5.4
254.10513	0.9
254.13889	0.4
261.12183	0.6
263.07986	0.5
265.10092	0.5
265.13312	8.0
266.10547	1.5
266.14111	17.2
267.11273	1.0
267.14828	2.2
268.12100	1.0
269.12817	1.4
278.10455	5.8
279.11224	3.1
280.11890	1.0
281.12817	10.6
282.13095	0.5
284.11499	1.2
285.12027	0.5
287.05457	0.4
293.12805	8.3
293.15878	0.6
294.13342	0.6
295.14420	0.8
296.08514	0.6
296.11560	6.4
297.12280	3.1
310.13049	1.0
311.13858	79.2
312.14261	3.9
313.11960	0.4
313.15485	0.5
321.12323	2.0
327.13342	0.5
339.13403	4.7
340.13940	0.6
357.14404	1.9
380.19525	0.4
399.16156	1.6
409.14127	1.8
412.12570	0.9
413.13351	2.1
414.14197	0.6
427.14972	39.1
428.15616	5.1
429.16400	0.6
434.20755	0.4
437.13229	0.8
443.14435	1.0
452.21344	0.8
455.14459	100.0
456.14865	6.2
457.15939	0.5
462.20294	1.2
480.21378	2.6
516.51477	0.4
554.21167	1.0
568.22778	5.7
578.20978	0.7
596.22314	13.4
597.22644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60089	1.5
55.01875	3.5
55.05495	3.0
57.03437	16.4
61.02911	6.0
69.03425	22.8
69.92207	2.6
69.92562	3.6
71.01335	5.1
71.04990	39.2
73.02915	42.1
75.04472	8.8
81.03400	2.9
83.04978	20.9
85.02904	100.0
87.04459	2.2
95.04939	2.4
97.02898	23.2
97.06570	1.5
99.04439	2.1
102.42834	1.4
103.03953	4.0
111.04445	18.0
113.05958	1.8
115.03934	23.1
121.06504	7.7
121.33445	1.5
123.04362	2.1
127.03869	5.1
129.05481	36.7
132.68651	1.6
133.04970	13.5
137.02267	2.5
139.03905	5.8
142.14546	1.4
145.04991	3.1
145.06480	5.4
147.06528	22.2
149.04469	1.9
159.08003	2.1
163.06139	1.7
163.07513	2.4
165.07594	1.6
169.04970	3.3
171.06499	3.0
175.07501	2.3
185.05962	1.5
187.07561	5.5
205.08595	5.3
214.05690	2.2
217.08632	2.2
221.39151	1.8
223.05884	1.7
225.07526	11.8
237.07648	2.1
243.08600	10.6
255.08667	2.5
261.09717	4.4
273.09641	2.8
279.10715	11.5
287.05472	74.7
288.05823	81.2
289.06021	4.0
309.11743	6.2
521.36652	1.7
596.16980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01875	7.2
55.05508	1.5
57.03427	5.0
59.45692	1.1
61.02925	7.6
62.31619	1.0
64.40840	1.1
68.99778	3.3
69.03425	38.0
69.07079	10.5
69.54988	5.4
71.04984	5.3
73.02908	6.1
75.79291	1.1
81.02966	1.9
81.03418	27.1
81.07050	3.3
85.02903	100.0
86.03273	1.1
87.00829	53.1
93.07021	1.7
95.08597	1.9
97.02891	52.0
99.04459	14.0
105.01866	84.0
105.07027	1.6
107.08455	1.2
109.02879	38.6
109.10146	1.2
111.89686	1.1
114.10265	1.3
115.03929	1.4
117.01776	2.0
119.04977	2.3
123.11716	4.9
127.03913	89.9
128.10645	1.6
129.01819	3.2
145.04958	35.4
147.02988	1.3
147.04428	5.3
148.04735	1.8
151.11183	7.9
159.02881	16.6
163.03853	1.4
177.05510	2.0
186.32835	1.5
189.03978	3.4
192.69325	1.2
202.40858	1.5
213.03908	8.7
231.05003	26.5
249.06024	11.0
253.07057	3.1
271.08316	2.2
287.05499	1.5
347.18784	1.5
348.18436	1.7
399.16489	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.03413	1.3
67.05498	3.6
69.03428	4.2
69.07066	2.3
69.14704	2.1
69.15114	5.3
70.06597	1.5
71.05012	2.8
72.08118	1.4
74.57529	1.3
79.05498	11.7
81.07061	9.8
83.04987	4.4
85.02901	5.9
91.05474	10.2
93.07045	31.8
93.07607	2.2
95.04976	3.4
95.08611	6.4
97.02912	4.5
97.06551	4.4
97.91568	1.3
98.22694	2.4
105.04511	1.5
105.07018	10.9
107.08592	12.7
109.02895	1.6
109.06482	1.3
109.10146	5.8
111.04485	1.7
117.07014	4.3
119.08578	11.2
121.06470	2.2
121.10138	100.0
122.10513	1.8
125.06001	7.9
129.05484	4.9
129.07037	2.2
131.08571	7.1
133.10141	2.9
135.11707	4.0
139.07558	4.4
143.07031	14.9
143.08092	1.7
144.09348	5.6
145.10130	3.7
149.13281	2.4
157.10139	2.7
159.11687	62.3
173.13199	9.6
175.14752	1.5
177.09062	2.4
177.12762	1.7
183.11755	1.2
191.14288	1.8
201.12761	2.7
211.07507	3.6
219.13794	52.7
222.03201	1.3
234.56104	1.1
237.14912	3.7
242.73065	1.3
287.05579	4.4
288.05847	5.0
303.04987	2.3
543.82550	1.7
596.24573	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	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01875	4.2
55.05514	17.0
55.05737	2.7
57.03444	4.2
57.07060	6.3
65.03945	4.0
67.05501	77.6
67.05865	3.7
69.03418	3.4
69.07061	16.1
71.04978	2.5
71.08639	2.9
74.22263	2.9
79.05486	50.8
81.03422	4.4
81.07053	82.3
83.04984	3.1
83.08617	6.8
85.02927	2.7
85.06557	4.6
91.05473	29.5
93.07043	56.3
94.54273	2.4
95.04971	6.9
95.08599	65.0
99.04450	2.9
105.07027	24.6
107.08587	38.0
109.02883	9.7
109.06493	3.3
109.10149	40.5
111.04391	2.6
117.07018	8.4
119.08561	21.3
121.10139	38.0
123.11718	16.3
127.03986	3.0
131.08554	22.4
133.10103	17.3
135.11696	33.8
137.13292	7.5
145.10115	19.9
147.11711	9.6
149.02425	2.8
149.13255	24.1
159.11699	14.7
161.13252	11.7
163.14803	22.7
165.12787	5.2
173.13237	20.1
175.14870	3.3
177.16370	7.0
179.14320	3.5
187.14844	10.3
191.14240	3.3
215.17873	4.2
219.17387	3.2
243.21074	34.1
261.22116	100.0
262.22382	3.5
301.20087	9.3
335.25806	21.9
337.27271	9.3
352.81613	2.8
353.26947	35.9
373.61093	2.7
537.29340	6.0
538.30737	11.9
547.37646	2.7
561.27252	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	596.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.8
55.05510	17.9
56.16041	9.4
56.40875	9.3
57.03445	19.2
59.56108	9.8
59.58689	10.6
65.03919	10.8
67.05502	89.1
69.07079	23.7
79.05477	49.0
81.07044	69.1
83.08588	14.4
84.21513	9.9
91.05475	82.9
93.07040	64.2
95.04931	15.4
95.08611	48.9
101.57629	9.2
105.07009	75.4
105.20941	10.0
107.08595	29.1
109.10175	10.5
117.07024	15.2
119.08575	55.8
121.10117	17.5
129.06995	16.5
131.08565	31.7
133.10106	54.3
134.09608	23.6
135.11653	24.1
145.10162	24.4
147.11710	34.0
149.09439	11.9
159.11711	22.3
160.11197	100.0
161.13255	15.6
178.12202	68.4
231.21178	12.2
241.19475	23.7
258.08911	75.7
259.20474	50.9
262.06540	10.0
285.16995	53.6
333.24057	33.7
369.56262	11.0
543.36584	24.4
561.37836	15.2
588.34528	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	596.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01867	7.4
55.05510	20.9
57.03431	13.7
57.07052	4.2
67.05164	5.1
67.05502	86.1
69.03437	3.6
69.07063	35.4
71.04987	6.0
71.43247	4.1
79.05482	69.2
81.03452	5.1
81.07053	100.0
83.04982	11.6
83.08631	23.1
85.06529	6.2
86.17666	3.6
91.05473	46.3
93.07038	75.0
95.04962	18.6
95.08593	29.2
97.06524	18.6
97.10129	6.9
99.08107	7.0
105.07031	28.3
107.04961	8.0
107.08578	42.7
109.06484	4.3
109.10146	12.4
111.08086	7.2
117.06997	17.3
119.08573	20.2
121.10129	26.4
123.08047	7.8
123.11716	6.7
131.08568	24.0
133.10133	22.6
135.08052	4.9
135.11702	14.8
137.09602	4.2
143.08578	4.1
145.10144	12.4
147.11650	8.2
149.09631	13.5
149.13226	31.1
157.10101	6.5
159.11710	19.1
161.13258	6.7
163.11119	8.6
171.11795	4.1
173.13260	5.1
174.12799	7.4
177.12802	8.5
195.13840	19.1
229.19467	4.4
255.15971	7.5
269.17468	61.9
272.10464	7.3
275.20050	24.6
283.01874	6.4
349.23697	13.2
416.22552	6.7
449.28671	18.8
463.20892	5.1
463.30499	66.7
543.36707	16.4
575.21936	4.3
596.27985	26.2
597.26550	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	596.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	23.2
55.53423	3.9
57.03447	17.1
57.07043	3.9
67.05501	75.3
69.07066	30.0
69.35851	18.7
71.04975	6.5
79.05492	69.4
80.96268	3.5
81.03420	6.0
81.07056	100.0
82.67052	3.2
83.04985	9.5
83.08619	17.3
85.06538	5.5
86.79927	3.7
87.37638	3.4
91.05473	48.3
93.07043	83.9
95.04969	14.3
95.08603	34.7
97.06528	19.9
97.10165	5.5
99.08095	5.0
105.07030	26.9
107.04931	3.9
107.08591	32.9
109.06519	8.6
109.10177	7.9
111.04445	3.5
111.08089	5.2
111.32083	3.4
117.07017	16.4
118.60099	3.8
119.08549	20.8
121.06596	5.1
121.10143	20.9
125.09630	3.6
129.06975	4.4
131.08585	16.9
133.10101	22.3
134.08269	3.4
135.08168	3.9
135.11691	19.9
143.08621	5.1
145.10127	9.6
147.11662	11.8
148.52693	3.5
149.09622	6.9
149.13254	27.0
159.11702	10.6
161.13335	5.9
173.13382	4.4
177.12746	11.9
192.62711	3.5
195.13797	15.3
199.14552	3.4
225.40854	3.4
227.12753	7.9
231.51855	3.6
255.15767	7.7
262.18140	5.2
269.17447	69.0
273.11539	3.7
275.20087	16.3
349.23776	13.3
449.29025	25.1
463.30515	70.4
543.36365	13.5
597.23425	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	596.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05506	13.2
57.03431	5.3
57.07048	1.9
60.90860	1.2
65.03938	3.1
67.05501	59.0
69.07068	10.9
71.04988	20.9
79.05489	34.0
80.30535	1.1
81.07052	82.4
81.88010	1.3
83.04978	2.4
83.08616	5.7
85.06554	6.7
91.05468	25.6
93.07038	33.1
95.04980	4.0
95.08603	24.5
97.06523	5.1
97.10140	1.2
99.08070	1.7
105.04547	1.9
105.07018	14.7
107.08588	18.5
109.06526	1.5
109.10151	10.2
111.08076	1.5
112.09875	1.3
117.07014	4.4
119.08582	7.9
121.10128	15.9
123.08089	1.3
123.11689	12.6
131.08524	7.4
133.10127	15.1
135.11674	6.5
136.07912	1.1
137.13260	1.2
145.10175	3.2
147.11652	2.5
149.13225	6.7
151.11172	5.4
159.11705	4.9
161.13264	2.8
163.50119	1.2
169.03349	1.2
173.13264	1.7
183.13785	3.6
187.13284	4.0
191.14232	1.3
201.14745	1.5
257.17664	2.2
261.22211	3.1
269.17508	5.3
301.20111	14.7
317.24796	1.6
335.25763	36.2
336.26248	1.8
409.42517	1.6
503.37277	100.0
504.37662	7.4
517.38879	4.6
529.38794	6.8
536.25598	1.5
561.41473	47.7
562.41376	3.5
596.27795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1448
Annotation	Quercetin 3-vicianoside
Peak:m/z	Relative Intensity
57.03437	2.4
59.02159	0.9
69.03422	8.5
69.89478	1.0
69.89797	1.8
81.03429	1.7
85.02901	9.3
87.04479	4.3
90.81087	0.8
91.05516	1.3
93.07031	6.8
97.02888	7.0
99.04457	0.9
107.08595	6.6
109.02901	1.2
115.03956	7.1
127.03906	1.8
132.61821	0.8
133.04976	6.5
135.11681	5.8
137.02353	3.5
145.04967	1.4
153.01852	3.8
153.12753	1.5
165.01857	2.2
201.05516	1.4
201.43625	0.9
215.83081	1.0
229.05006	4.0
257.04550	3.2
285.04047	1.6
303.04971	100.0
304.05286	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	597.1814
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01860	10.6
63.96014	6.9
67.49673	7.2
69.03432	12.3
69.76922	10.4
69.77249	27.4
70.06585	21.0
75.31467	7.4
81.03415	18.8
84.08144	8.7
84.23404	6.9
85.02895	47.9
89.27969	7.0
91.05441	16.1
93.03409	18.3
94.79423	7.0
97.02881	24.4
105.01851	15.5
107.04942	26.1
109.02874	33.4
109.06513	10.2
111.04438	8.5
121.02883	18.7
123.04427	10.6
127.03905	22.3
133.06491	10.4
135.04391	17.6
145.02855	11.9
147.04396	28.8
151.07500	10.7
152.07956	9.6
159.04390	7.9
161.06053	12.1
163.03935	11.3
165.01768	15.6
171.04370	8.9
173.05974	17.4
177.01874	17.6
177.05473	24.5
189.01855	28.7
191.03406	13.6
195.02876	39.4
201.05486	13.1
205.01215	9.5
207.02869	53.8
215.03426	22.5
217.01312	9.5
217.04964	12.6
219.02895	99.2
223.02383	12.2
225.03899	24.2
229.04945	20.1
231.02931	50.6
233.04384	12.9
237.03896	23.2
243.02847	33.6
243.06499	11.9
245.04413	16.6
249.03871	9.9
255.02991	9.5
261.03976	100.0
271.06003	14.1
273.03894	57.0
285.03940	45.5
291.04953	27.7
297.04138	13.1
297.07501	14.9
299.05576	10.9
303.04996	30.0
309.07370	12.6
315.04700	14.0
321.05988	25.5
327.04990	54.8
327.08682	30.2
339.07809	33.0
345.06006	14.9
351.08594	21.9
357.06119	17.7
363.07129	32.1
375.06653	9.1
381.09610	34.1
387.06885	14.5
393.09476	39.3
405.08151	39.1
411.10709	14.3
423.10098	27.5
429.11557	26.6
441.10925	41.5
447.10632	28.5
459.12366	27.9
465.11575	9.8
483.12732	13.1
495.12671	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	597.3031
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03961	1.4
55.05510	14.2
57.03431	8.5
57.07083	2.5
66.89103	1.4
67.05501	37.6
67.05864	2.1
69.03423	1.9
69.07069	16.7
70.58018	3.5
71.04964	2.0
77.79266	1.4
79.05485	13.9
81.03423	6.4
81.07055	31.7
81.07506	2.3
83.08605	6.7
91.05491	8.1
93.07051	12.4
94.07394	2.2
95.04990	2.4
95.08604	28.4
97.10183	2.6
98.98460	26.4
99.04482	1.7
101.95583	1.6
103.00092	1.8
105.07021	6.8
105.31220	1.6
107.08596	8.4
109.02864	9.4
109.10131	9.4
119.08585	4.5
121.10152	6.6
123.11708	6.0
127.03906	2.8
133.10112	2.1
135.11719	2.1
147.11713	2.4
149.13226	2.0
155.01022	5.3
243.02438	1.7
245.22717	2.7
261.03625	6.5
263.23666	3.5
335.07239	3.4
337.27344	100.0
338.27823	3.5
360.41437	1.7
383.69370	1.6
441.11273	1.4
451.15106	3.6
507.17749	3.7
537.18506	2.4
574.36395	2.1
596.46558	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29283	1.6
51.82142	1.5
53.03944	2.1
55.01876	1.8
55.05508	14.8
57.03430	8.4
57.07065	2.3
63.90112	1.6
67.05505	31.9
69.03441	1.7
69.07061	14.5
69.70837	2.0
69.71171	6.6
71.04975	1.7
79.05494	8.0
81.03424	7.8
81.07057	31.0
83.08605	9.6
85.02853	2.2
91.05487	7.7
93.07027	11.6
93.56186	1.7
95.04953	2.2
95.08602	26.1
97.06561	2.4
97.10160	4.1
98.22747	3.6
98.98457	25.5
105.07027	6.8
107.08578	7.1
109.02869	7.7
109.10139	8.4
119.08572	6.6
121.10146	6.4
123.11700	2.1
127.03990	1.9
129.06926	1.9
133.10117	5.2
135.11693	2.5
137.13266	2.1
143.08609	2.2
145.10217	1.9
147.11720	4.8
149.13237	1.9
155.01035	3.1
161.13260	2.0
167.10695	2.2
169.10225	2.2
173.13292	1.9
205.35820	2.1
210.80629	1.8
221.15268	2.1
233.15408	2.0
261.03702	7.5
263.23749	2.6
301.20041	2.9
335.07263	4.7
337.27353	100.0
338.27615	3.0
477.20313	1.7
506.58966	2.4
597.39368	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	597.3757
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
55.05500	0.9
57.03434	0.5
61.31488	0.4
65.87966	0.5
66.84677	0.5
67.05505	3.5
69.07076	1.0
70.68892	0.5
72.51453	0.5
79.05491	3.7
81.03425	0.8
81.07043	2.8
81.73871	0.6
83.08570	0.7
91.05488	2.1
93.07036	4.1
93.37641	0.5
95.04970	1.0
95.08607	2.0
105.07042	1.8
107.08625	1.4
109.10149	0.8
117.07007	0.7
119.08580	1.5
121.10154	1.1
131.08516	0.7
133.10129	1.4
139.03586	0.5
143.08673	0.5
145.10123	0.6
147.11725	1.2
155.08572	0.5
159.11670	0.5
171.11838	0.7
186.40668	0.5
198.12337	0.5
247.12964	3.7
261.12634	0.5
267.16028	0.5
302.89694	0.5
303.15591	3.5
317.20755	3.7
335.25864	0.6
349.49258	0.5
373.23477	3.2
397.23361	0.5
441.28976	0.5
527.29840	0.6
545.54315	0.6
597.37543	100.0
598.37982	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	598.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.3
53.03938	4.5
55.01865	4.0
55.05500	5.8
57.03427	3.5
57.26744	1.1
61.02922	5.3
61.28494	1.2
65.03928	1.9
67.05502	4.5
68.99796	2.4
69.03429	21.2
69.07063	3.2
70.06590	1.7
70.72968	2.2
71.04997	2.4
73.02917	4.8
75.08997	1.2
77.03898	2.2
79.05486	11.6
81.03422	12.0
81.07035	7.5
83.01357	1.4
83.04969	1.7
84.78887	1.5
85.02896	53.6
85.03413	3.1
87.00820	15.3
91.03972	1.4
91.05470	19.9
93.07038	86.6
95.04977	7.2
95.08600	17.2
97.02882	21.8
97.06515	1.3
99.04451	6.4
105.01855	30.7
105.04519	3.6
105.06985	7.5
107.08582	100.0
108.08927	2.4
109.02877	15.1
109.06527	5.5
109.10133	4.3
119.06068	1.9
119.08556	3.1
123.04423	2.7
127.03909	33.4
129.01849	2.1
131.08601	1.4
131.12749	1.2
135.11682	76.3
145.02800	1.6
145.04962	19.3
145.10190	1.6
147.02950	1.5
153.12726	15.9
153.49203	1.2
158.93932	1.5
159.02859	5.2
159.11665	1.4
165.12706	1.5
171.11577	1.6
177.05421	2.3
201.12820	1.2
213.03943	1.9
219.13834	1.4
231.04993	12.6
249.06070	7.0
257.21695	1.5
261.14874	2.3
620.59576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04787	0.9
51.02357	1.0
52.97411	0.8
53.03943	5.4
55.01870	3.7
55.05508	6.1
57.03426	3.5
57.07071	0.9
61.02918	3.5
65.03931	1.6
67.05496	3.1
68.99796	1.3
69.03423	14.8
69.07047	4.0
71.04986	2.5
71.06608	1.1
73.02911	4.4
77.03925	1.8
79.05482	14.2
81.03414	13.5
81.03886	1.1
81.07053	9.8
83.04946	1.4
83.08637	0.9
85.02899	50.1
87.00823	18.1
91.03944	2.2
91.05473	23.3
93.07036	89.4
94.07345	1.1
95.04971	7.7
95.08614	7.4
97.02887	20.4
97.06511	2.1
99.04426	7.4
100.65562	0.8
105.01860	28.8
105.04528	2.7
105.07001	7.2
107.08585	100.0
109.02872	15.1
109.06506	4.0
109.10145	2.8
110.62588	0.8
111.04433	0.8
115.03931	1.3
117.01870	2.2
119.06078	2.0
119.08572	2.4
121.10146	2.3
123.04400	0.9
123.11736	1.4
127.03909	31.9
129.01837	2.0
130.10541	0.8
131.08582	1.5
133.10130	2.3
135.11679	82.5
136.12004	1.3
137.05994	1.0
137.13251	2.6
145.04941	17.7
145.10110	1.6
147.02917	0.9
147.11748	1.8
153.12723	7.4
159.02875	10.0
159.11615	1.1
163.06000	0.8
165.12767	1.4
177.12766	1.3
189.12206	0.9
207.11740	0.9
213.03954	3.0
231.04985	10.9
231.07069	1.2
243.13774	1.3
249.06006	5.6
261.14893	1.4
303.04919	5.1
304.05219	5.4
347.14984	1.0
365.15848	1.4
383.16940	1.1
444.80072	0.9
622.35046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73340	6.2
55.05507	22.1
57.03434	27.2
57.78162	7.1
67.05499	78.1
69.07064	30.4
69.44164	32.7
75.92562	6.5
79.05491	60.9
81.03411	80.2
81.06614	12.8
81.07047	74.4
83.08620	33.4
87.49574	8.2
91.05469	59.8
93.07044	69.7
95.04966	29.6
95.08601	67.3
97.10165	11.4
105.07030	45.4
107.04949	10.0
107.08588	49.9
109.06530	12.2
109.10147	34.0
117.07025	16.5
119.08624	41.3
119.09347	7.4
121.06525	9.0
121.10120	42.5
123.08121	7.9
123.11705	16.1
129.07013	9.7
131.08575	34.6
133.10139	18.9
135.08086	11.3
135.11662	21.9
145.10109	18.9
147.08031	10.0
147.11658	19.2
155.08560	7.9
157.10143	18.6
159.11693	16.8
163.11212	14.2
165.02203	7.2
167.10710	10.3
173.13268	16.5
175.11223	12.5
183.11684	8.6
189.11139	9.4
193.12259	27.8
221.15347	24.7
261.22211	12.8
267.15894	100.0
271.76910	7.6
307.33713	7.4
335.25827	77.0
336.26242	14.0
527.37262	60.8
542.14307	7.9
545.37634	19.8
598.37988	13.1
599.41150	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32540	1.2
55.05481	5.5
57.07048	2.8
67.05492	8.3
69.03395	2.1
69.07037	5.6
69.52670	3.3
69.53075	3.8
79.05477	7.5
81.07054	12.1
83.08582	4.0
84.94955	1.3
91.05475	10.1
93.07040	17.4
95.04942	5.0
95.08595	9.4
97.06516	3.1
105.04510	1.3
105.07035	11.8
106.07307	1.7
107.08569	9.0
109.06493	2.7
109.10118	4.8
117.06966	3.0
119.08569	11.5
121.06452	1.8
121.09430	1.3
121.10151	16.6
123.08008	5.8
123.11664	2.3
128.06227	1.6
129.06946	3.5
131.02127	1.4
131.08530	4.8
133.06398	1.5
133.10132	6.7
135.08011	2.6
135.11613	4.4
137.09589	1.3
139.11255	1.3
142.07722	4.9
143.08492	5.0
145.10092	6.8
147.08025	2.0
147.11612	2.2
149.09549	3.7
151.07455	3.3
155.08495	1.7
157.10130	6.9
159.08020	2.5
159.11659	4.4
161.09558	2.0
161.13251	1.6
163.11121	4.1
165.09114	3.3
167.10669	21.8
169.10072	3.3
171.11594	4.2
173.13234	2.4
175.11194	1.4
179.08533	1.4
181.09995	2.1
181.12193	2.6
183.11594	3.2
185.13193	3.5
189.12532	2.5
195.11578	2.1
197.13167	4.0
203.14230	2.6
207.11766	2.4
207.13652	2.8
209.13161	2.5
211.14807	1.9
213.12589	1.7
215.14293	2.5
221.15308	8.5
233.15306	7.1
239.17813	1.4
249.10957	22.0
259.14551	1.3
261.16351	1.6
264.24026	1.8
301.76111	1.3
305.13535	10.2
381.25177	1.5
419.29172	1.5
488.40808	1.4
504.34811	1.4
581.39398	4.9
599.34894	100.0
600.35120	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.01867	2.3
55.05512	11.5
57.07065	7.4
57.90507	1.7
59.04985	4.2
64.59642	1.6
67.05498	20.3
69.03422	12.0
69.07075	11.4
69.53655	6.2
76.67235	2.1
79.05493	20.0
81.07055	24.4
83.04974	13.0
83.08617	6.2
83.59896	1.6
85.06532	5.7
87.04463	2.4
91.05473	32.1
93.07034	33.7
95.04965	17.3
95.08611	20.6
97.06532	7.0
103.05470	3.3
105.04514	3.8
105.07018	53.4
107.04974	2.5
107.08585	33.2
109.06503	14.5
109.10143	14.3
115.05444	2.9
117.07015	10.7
118.35842	1.7
119.08570	42.1
121.06512	10.8
121.10123	32.5
123.08058	17.3
123.11698	2.8
125.05984	4.4
125.09624	9.5
128.06226	7.8
129.06995	13.2
130.07816	5.3
131.08563	27.2
133.06517	3.9
133.10118	25.5
135.08035	19.2
135.11699	8.1
137.09605	11.6
139.07457	2.1
141.07004	6.7
142.07753	17.8
143.08546	28.7
144.09344	9.6
145.10104	31.8
147.08025	20.8
147.11653	11.0
149.06049	2.4
149.09607	12.0
149.13289	1.9
151.07556	12.9
151.11243	2.8
153.09167	3.1
154.07735	2.5
155.08582	10.4
155.10599	2.0
156.09334	15.6
157.10107	32.7
158.07288	2.3
158.10870	4.1
159.08000	11.9
159.11682	19.8
160.08836	2.1
161.09583	10.6
161.13274	6.3
163.11163	7.7
165.06999	3.5
165.09108	29.3
167.08556	6.3
167.10655	20.0
168.09354	6.5
169.10097	22.7
170.10889	7.9
171.08098	3.4
171.11697	21.5
173.09627	6.2
173.13261	14.4
174.10432	2.0
175.11194	7.6
175.14780	2.5
179.08444	8.8
180.09331	4.3
181.10167	10.0
181.12241	5.2
182.10931	4.1
183.08051	2.2
183.11674	16.0
184.12428	3.0
185.09599	5.5
185.13249	9.0
186.10229	1.8
187.11169	6.1
187.14842	2.9
189.12704	12.8
191.14340	4.1
192.09482	3.0
192.11380	2.1
193.10144	7.9
193.12294	3.7
194.10779	8.7
195.11696	14.4
195.13571	3.7
196.12434	4.6
197.09593	2.3
197.13274	14.3
198.13943	1.9
199.11182	6.2
199.14819	6.4
201.12772	2.8
203.14304	11.3
205.10194	3.0
205.12088	2.5
206.10933	5.4
207.11676	12.4
207.13853	9.6
208.12488	4.7
209.13272	16.7
209.15239	3.4
210.13982	3.8
211.11183	2.1
211.14832	6.8
213.12659	4.4
213.16370	2.4
215.14273	3.8
219.11798	4.0
219.13702	2.4
220.12430	2.3
221.13286	8.2
221.15288	46.3
222.14044	2.5
223.14835	7.9
225.12740	4.9
225.16386	4.1
227.14296	2.6
229.12187	2.0
231.11717	2.5
232.12427	2.9
233.13159	5.2
233.15302	42.7
234.13866	2.1
235.14839	5.0
236.15649	2.5
237.12781	2.9
237.14694	2.4
237.16698	2.9
239.14313	3.6
241.15990	4.1
243.11769	2.4
244.12442	2.3
245.13223	3.4
247.14810	5.8
247.16989	3.3
248.15714	2.5
249.16484	4.0
251.14153	2.6
253.19330	1.9
259.14771	3.5
261.16296	2.9
263.14444	2.2
265.15872	2.5
265.19620	2.4
269.19040	3.7
275.17783	2.3
281.19061	9.9
283.20367	2.9
285.18781	3.0
286.19223	3.4
287.20111	4.2
299.20099	4.8
309.22250	1.9
311.20117	2.2
352.23651	2.2
364.23828	2.8
365.24643	2.2
373.25571	4.3
377.24628	3.4
391.26569	5.6
441.29874	2.4
489.33646	7.1
493.33063	3.1
507.34653	80.8
508.35117	3.4
563.39044	2.6
581.39795	7.0
599.40881	100.0
600.41077	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	600.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85551	1.2
58.15738	1.0
59.26379	1.2
65.03918	1.4
67.05502	14.0
74.28948	1.3
83.33652	1.1
83.58080	1.2
93.07040	1.3
94.06567	21.1
95.04971	1.4
96.04465	1.3
98.23477	3.9
99.00806	1.4
108.08126	7.9
111.32566	1.4
120.04480	2.0
120.08156	2.0
122.02386	7.7
122.06023	30.9
132.08084	5.1
134.09679	1.8
136.07568	11.5
138.05484	2.3
138.09148	3.0
140.03371	1.9
144.08109	1.5
146.09625	4.8
147.10403	1.1
148.07582	2.7
150.09151	4.3
154.05093	2.6
158.09685	2.5
159.09149	3.0
160.07552	16.6
161.08360	3.9
161.10751	2.3
162.09135	11.2
164.07153	1.2
166.08687	5.8
170.09689	3.2
171.09192	2.8
172.07578	2.9
172.09898	2.0
172.11227	5.2
173.10764	9.3
174.09158	6.4
175.08662	1.9
176.10719	2.6
181.08832	1.5
182.04446	4.1
183.09167	3.4
184.07596	4.6
185.07057	3.1
185.10753	2.4
185.86472	1.3
186.07858	6.6
186.09242	1.8
187.08635	10.2
187.12306	3.7
188.07104	6.4
188.09386	1.9
189.10205	5.2
192.10147	1.5
196.06078	3.9
196.07687	1.5
196.09792	1.6
197.08644	1.2
197.10782	5.7
198.05443	1.2
198.09125	5.2
199.08539	11.6
200.07111	2.9
200.09398	7.9
200.10799	5.5
201.06575	3.4
201.10205	71.3
202.08641	6.2
202.10687	3.5
203.11636	2.4
207.30931	1.2
211.08636	6.5
211.12289	1.1
212.07443	1.2
212.09489	4.4
213.06584	6.5
213.10185	18.5
214.07233	2.0
214.10860	2.6
215.08156	20.6
215.11725	20.4
216.08742	8.4
217.09732	4.7
218.11641	1.9
220.09685	2.0
222.09265	1.5
223.08653	3.4
225.06612	3.8
225.10188	12.5
226.08754	6.5
226.10843	2.0
227.08138	23.6
227.11758	3.2
228.06563	2.4
228.08821	4.3
229.09712	46.8
229.13297	1.9
230.08240	2.1
230.10445	5.0
231.11313	6.5
232.12099	1.9
233.09096	1.8
233.12846	2.6
237.10178	3.0
239.08183	11.1
239.11765	8.4
240.08968	5.3
241.09685	16.7
242.10257	3.3
243.07704	5.6
243.11272	59.1
244.09595	1.7
244.11827	3.3
245.09207	2.8
245.12830	9.1
246.07686	5.9
246.09909	1.6
247.10657	6.5
248.09210	4.4
248.11603	1.8
251.08139	5.5
252.08876	1.6
253.09692	18.3
255.07581	6.4
255.11298	5.6
256.12125	5.2
257.09174	18.1
257.12787	9.6
258.09943	9.3
259.10779	21.3
261.12338	25.8
263.13953	3.0
264.08649	1.9
265.09756	4.7
267.11261	8.1
268.09726	4.3
269.09189	32.8
269.12360	1.9
270.11142	1.5
271.10751	56.8
272.11356	2.3
273.08823	1.9
273.12338	3.4
275.10214	4.3
282.09827	6.2
283.10764	10.1
284.11490	3.6
285.12323	26.3
286.13120	6.2
287.10294	8.0
287.13895	10.7
288.11200	3.3
289.11804	39.5
290.12637	2.7
293.09143	1.4
295.10818	3.9
297.08710	1.6
298.09439	1.5
299.10205	1.4
301.11829	16.5
303.13351	24.4
305.11636	1.3
305.14938	16.5
307.12878	4.6
311.10208	14.3
313.11771	23.9
315.09985	1.4
317.11441	2.7
321.14627	2.7
329.11307	16.2
330.11981	6.6
331.12851	36.1
333.14752	1.2
343.12970	2.4
345.14352	5.8
348.13443	2.0
349.13882	7.6
357.10770	1.3
359.12323	5.5
361.14001	4.2
362.08771	2.2
363.11447	1.4
363.15536	2.9
364.16711	3.7
375.11896	24.8
377.13394	13.6
385.10208	2.2
387.11932	5.1
389.13983	2.2
392.15778	1.6
399.11938	1.5
401.13318	11.5
403.10556	11.6
403.15228	6.9
404.11844	2.3
405.12668	25.2
406.17682	1.6
410.17078	1.7
414.10764	3.5
417.12869	13.6
419.14493	5.5
426.20346	2.2
427.11279	3.8
428.12164	3.8
429.12820	4.9
432.11728	2.0
433.12225	2.3
434.17212	2.3
435.14001	21.0
436.14856	2.4
437.15497	19.6
445.12378	60.0
446.12872	10.2
447.13913	44.0
447.19949	2.4
448.14120	1.6
452.18112	10.3
466.19437	2.3
477.15018	84.9
478.15808	8.6
479.16577	69.6
480.17145	3.0
484.21008	2.9
524.20227	3.1
526.18384	8.1
540.19757	4.3
550.18134	9.1
558.20764	88.6
559.21106	3.4
568.19171	61.0
569.19885	2.8
600.21759	100.0
601.22015	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	600.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77430	0.8
53.03948	4.7
55.01865	4.2
55.05502	2.4
55.25295	0.8
57.03429	3.3
61.02913	3.6
67.05500	21.7
68.99778	1.5
69.03418	22.3
69.07056	2.4
69.76591	3.4
71.01329	0.8
71.04989	7.5
73.02908	3.5
79.05515	0.9
81.03413	16.5
81.07047	4.1
83.46716	0.8
85.02898	43.3
87.00826	21.8
91.05476	5.6
93.07062	6.6
95.04967	2.8
95.08601	25.1
97.02886	21.1
99.04456	6.9
105.01860	18.7
109.02872	29.4
109.06493	1.4
109.10148	40.4
111.08097	4.0
113.06039	1.0
117.01876	1.1
119.08577	7.5
127.03905	48.4
129.01834	1.0
137.09605	18.8
145.04944	9.0
147.02904	1.4
155.10655	100.0
159.02895	3.9
162.07579	1.4
171.25119	0.9
173.11731	8.5
180.08658	1.8
213.03905	11.4
215.12900	1.0
231.04982	18.2
249.06094	3.0
263.12778	9.2
281.13904	2.2
299.15109	1.8
317.64847	1.0
367.13919	3.9
385.14877	15.3
403.15948	11.4
450.77454	1.2
574.13690	0.9
622.52307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02972	0.7
53.03944	3.6
55.01868	4.7
55.05513	4.8
57.03434	3.6
57.07066	4.8
59.04977	0.9
61.02920	4.5
65.03946	0.8
67.05499	9.7
68.99789	1.4
69.03062	1.4
69.03422	21.2
69.07054	9.8
69.22887	0.7
69.27965	1.2
69.28374	3.3
70.22218	0.7
71.04996	3.8
73.02904	2.6
79.05487	5.8
81.03412	13.2
81.07049	100.0
82.07378	1.6
83.08626	3.6
84.40466	0.9
85.02895	61.3
85.06532	11.8
85.07008	1.4
86.03197	1.0
87.00282	1.2
87.00817	24.3
91.03933	1.4
91.05485	2.3
93.07052	5.0
94.51229	0.8
95.04965	1.9
95.08596	46.5
96.08906	1.5
97.02259	1.3
97.02885	26.4
97.06514	1.7
97.10164	1.4
98.03204	0.9
99.04440	7.0
99.08073	3.6
101.38709	0.8
103.03957	1.2
105.01857	63.3
105.07024	3.4
107.04967	1.3
107.08595	3.9
107.93412	0.7
109.02873	16.0
109.06551	1.3
109.10138	2.9
109.23050	0.7
111.08096	1.2
111.11703	8.3
115.03914	2.6
117.01813	0.9
117.07000	0.8
119.08578	3.0
121.10133	3.4
123.04440	1.4
123.11749	1.5
127.03901	42.4
128.04272	1.0
129.01840	2.1
131.08560	1.6
132.15860	0.8
133.10094	1.1
135.08041	1.3
135.11694	3.2
137.13237	58.5
143.08546	1.1
144.22498	0.6
145.04941	19.7
147.02876	1.9
147.07991	1.3
147.11688	3.0
147.88412	0.9
149.13252	3.2
153.12711	1.3
155.14287	15.8
156.17575	0.7
157.10080	1.0
159.02875	6.5
159.11693	1.7
161.04434	0.9
161.06021	0.9
161.13232	2.4
163.11166	1.0
165.09138	0.9
165.12752	1.4
167.14346	2.9
177.12753	1.2
179.14276	1.4
189.03928	2.1
189.12854	0.7
191.14346	2.0
199.14551	1.0
199.33069	0.8
199.65636	0.7
203.14342	1.4
209.15324	1.0
213.03889	4.3
221.15419	1.6
227.14162	1.2
231.04961	18.4
239.16476	1.9
245.15370	4.7
249.06026	19.8
253.07013	1.0
263.16428	3.8
271.08060	0.8
281.17474	1.1
334.22299	0.8
349.16452	3.5
357.08157	1.0
367.17343	4.2
385.18469	2.1
403.19708	1.2
411.25204	0.8
550.94000	0.8
578.17352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01869	6.9
55.05510	6.2
56.69230	2.4
57.03422	6.3
57.07083	3.5
61.02931	7.2
67.05502	11.1
69.03429	32.1
69.07065	11.9
70.06583	6.4
70.59117	4.7
71.05002	6.5
73.02921	5.6
77.61165	2.7
79.05505	8.7
79.15126	2.4
81.03417	16.7
81.07056	100.0
81.46925	2.4
83.05001	2.7
83.08614	4.9
85.02905	71.5
85.06551	4.0
87.00830	25.5
90.60103	2.4
91.05479	3.3
93.07046	6.8
95.04961	5.6
95.08600	55.3
97.02898	35.5
97.10200	4.4
98.02803	2.6
99.04455	10.1
99.08087	9.0
100.11240	5.0
105.01863	35.5
105.07000	5.4
107.08590	4.2
107.51447	2.3
109.02854	21.1
109.10130	2.8
110.07176	3.1
111.04436	3.0
111.11705	5.8
115.03912	5.3
119.08575	4.2
121.10182	2.9
123.11715	6.5
125.02371	2.8
127.03912	51.7
128.07053	2.8
129.01836	5.6
133.10152	4.5
136.53593	2.4
137.05978	4.9
137.13257	63.2
143.08569	2.8
145.04948	14.9
145.10068	2.4
147.11685	5.0
149.13261	3.8
153.12781	4.6
155.14310	38.8
159.02887	7.2
159.11676	2.9
161.04463	7.3
161.13242	3.9
163.03900	3.8
165.12672	3.1
167.06972	3.1
167.14278	2.5
167.97972	2.5
173.13242	2.4
173.15369	31.7
181.04944	4.8
182.15337	3.2
187.13490	4.8
203.14343	2.8
207.13603	2.5
213.03975	6.0
227.14262	3.0
231.05074	17.1
245.15350	6.2
249.06052	7.5
263.16437	10.3
269.59439	2.3
349.16473	5.2
367.17416	7.7
552.39716	3.3
600.25018	3.5
600.42511	4.1
618.19696	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	600.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01876	2.4
55.05509	25.9
57.03431	2.0
57.07071	19.6
60.46869	1.0
67.05503	2.0
69.03426	22.1
69.07060	22.6
71.08632	4.8
71.43515	1.0
73.02911	1.7
74.96796	1.2
81.03425	6.0
81.07052	11.8
83.08613	100.0
85.02901	20.8
86.15410	1.2
87.00831	8.8
90.06870	1.1
94.18787	1.1
95.08612	4.2
97.02887	78.9
97.10158	18.0
98.03231	1.8
99.04453	7.6
101.02392	4.0
105.01855	8.9
107.08633	1.5
109.02874	5.4
113.02370	1.6
115.03909	6.7
121.10212	1.4
125.02347	18.7
127.03888	10.4
129.01840	1.3
133.10112	1.4
137.09518	1.3
137.13232	3.1
139.14804	6.4
143.03418	7.4
145.04982	2.9
147.11671	1.5
155.14346	1.8
157.15872	36.7
157.64502	1.2
159.02875	1.3
161.04451	3.3
175.16924	38.0
185.15388	1.9
191.14330	3.2
201.03966	2.3
203.16373	9.6
213.03941	1.2
229.03407	4.4
231.05025	4.5
247.04503	5.1
253.17996	3.0
299.18527	2.3
301.37885	1.0
333.56183	1.1
385.18567	8.3
403.20041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.82022	1.0
55.05507	6.2
56.27308	1.2
57.03423	1.2
57.17833	1.0
57.98786	1.0
58.99587	20.4
60.46014	1.0
67.05495	9.8
69.03407	1.8
69.07059	5.7
70.06568	1.7
73.01119	1.1
76.02221	79.3
76.03991	2.1
77.49545	1.2
79.05488	8.2
80.05001	1.6
81.07048	11.4
83.04971	2.9
83.06107	2.8
83.08620	2.7
84.04496	18.9
86.99058	6.3
88.02213	1.3
89.03912	4.3
91.05467	8.8
93.01414	1.3
93.07045	11.3
95.04962	3.5
95.08600	7.7
97.10158	1.9
99.05594	1.5
105.07024	10.4
107.04942	2.7
107.08572	6.5
109.06532	5.9
109.10140	4.4
116.01675	25.9
117.03376	10.5
117.07019	2.6
119.08571	7.2
121.06486	4.6
121.10152	5.6
123.08038	1.9
125.86111	1.0
129.06526	1.8
130.05003	5.5
131.08559	7.8
133.06502	1.5
133.10103	7.2
133.62119	1.2
134.03603	1.1
135.08025	2.6
135.11710	3.0
137.09579	1.3
142.03250	6.1
142.07755	1.1
143.08582	2.5
144.01138	12.9
145.02841	19.1
145.06395	1.2
145.10104	4.7
147.08003	1.9
147.11668	4.9
149.05962	2.5
149.09583	2.6
151.11154	2.7
157.10039	1.9
159.08086	1.6
159.11644	3.4
161.09753	1.1
161.13260	1.7
162.02184	44.7
163.11227	1.9
165.70218	1.2
170.02725	2.3
173.09462	1.1
173.13226	2.6
175.11139	1.2
177.05460	28.1
179.04839	100.0
179.14268	1.9
180.04982	1.0
187.05341	3.0
201.12769	1.9
215.04784	1.7
219.13600	2.0
233.05914	13.4
239.17996	1.6
245.05940	3.9
257.19022	3.5
273.18433	3.6
275.20056	30.5
291.06549	1.9
291.19354	2.1
293.21085	20.3
308.09113	29.9
355.19196	1.7
368.22467	10.2
453.24042	5.5
525.26001	4.4
582.28595	2.0
589.29797	1.3
600.29297	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	600.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.5
59.54734	2.3
67.05499	20.3
69.03428	7.9
69.07049	4.5
69.84586	6.2
69.84924	2.4
70.06583	5.1
71.05003	2.2
73.02911	2.9
79.05480	4.9
81.02962	4.6
81.03413	65.6
81.07064	11.6
85.02892	14.2
85.06541	3.1
87.00839	6.4
91.05476	7.6
93.07039	8.5
95.04960	99.0
95.08593	10.3
96.05305	2.6
97.02893	7.2
97.06522	3.2
99.04478	3.1
99.08077	2.9
105.01874	4.8
105.07011	9.3
107.08586	12.0
109.02879	5.3
109.06516	8.9
109.10154	6.8
115.05618	2.5
117.03343	3.3
119.04936	2.9
119.08562	9.0
121.06509	6.2
121.10132	34.8
123.04427	48.2
123.08068	6.1
123.11696	20.9
124.69658	2.5
127.03912	9.5
131.08548	5.4
133.06520	3.7
133.10115	8.3
133.22304	2.5
135.08031	8.6
135.11604	4.2
137.05966	4.0
141.05446	3.2
143.08575	2.9
145.02792	7.0
145.05034	4.4
145.06468	13.6
145.10165	4.4
147.04361	4.0
147.08052	9.4
147.11656	4.9
149.09576	4.4
157.10143	3.4
159.02791	3.4
159.07993	2.6
159.11674	7.1
161.09619	7.1
161.13184	2.8
163.07512	2.3
163.11143	2.8
165.05406	3.8
169.10080	2.8
171.08055	3.3
171.11694	5.3
173.09631	2.7
175.11211	3.1
175.14824	7.9
177.05464	20.8
177.16374	6.1
185.09653	5.8
187.11154	3.9
187.14806	6.3
189.12709	5.5
193.15912	3.0
195.17383	6.0
199.14786	4.4
201.12775	2.8
203.10692	5.5
203.14297	3.4
205.15868	21.2
217.15869	7.4
227.14296	12.6
229.72409	2.7
239.14162	2.8
245.15211	4.3
281.18933	23.4
299.20023	56.1
299.23392	3.1
300.20581	2.8
317.21063	100.0
335.22034	8.3
341.21039	11.1
359.22141	18.1
435.24063	2.9
435.74164	7.2
459.17261	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	600.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.5
59.54734	2.3
67.05499	20.3
69.03428	7.9
69.07049	4.5
69.84586	6.2
69.84924	2.4
70.06583	5.1
71.05003	2.2
73.02911	2.9
79.05480	4.9
81.02962	4.6
81.03413	65.6
81.07064	11.6
85.02892	14.2
85.06541	3.1
87.00839	6.4
91.05476	7.6
93.07039	8.5
95.04960	99.0
95.08593	10.3
96.05305	2.6
97.02893	7.2
97.06522	3.2
99.04478	3.1
99.08077	2.9
105.01874	4.8
105.07011	9.3
107.08586	12.0
109.02879	5.3
109.06516	8.9
109.10154	6.8
115.05618	2.5
117.03343	3.3
119.04936	2.9
119.08562	9.0
121.06509	6.2
121.10132	34.8
123.04427	48.2
123.08068	6.1
123.11696	20.9
124.69658	2.5
127.03912	9.5
131.08548	5.4
133.06520	3.7
133.10115	8.3
133.22304	2.5
135.08031	8.6
135.11604	4.2
137.05966	4.0
141.05446	3.2
143.08575	2.9
145.02792	7.0
145.05034	4.4
145.06468	13.6
145.10165	4.4
147.04361	4.0
147.08052	9.4
147.11656	4.9
149.09576	4.4
157.10143	3.4
159.02791	3.4
159.07993	2.6
159.11674	7.1
161.09619	7.1
161.13184	2.8
163.07512	2.3
163.11143	2.8
165.05406	3.8
169.10080	2.8
171.08055	3.3
171.11694	5.3
173.09631	2.7
175.11211	3.1
175.14824	7.9
177.05464	20.8
177.16374	6.1
185.09653	5.8
187.11154	3.9
187.14806	6.3
189.12709	5.5
193.15912	3.0
195.17383	6.0
199.14786	4.4
201.12775	2.8
203.10692	5.5
203.14297	3.4
205.15868	21.2
217.15869	7.4
227.14296	12.6
229.72409	2.7
239.14162	2.8
245.15211	4.3
281.18933	23.4
299.20023	56.1
299.23392	3.1
300.20581	2.8
317.21063	100.0
335.22034	8.3
341.21039	11.1
359.22141	18.1
435.24063	2.9
435.74164	7.2
459.17261	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01871	3.6
55.05518	17.8
57.07074	28.6
59.04991	3.1
65.03915	3.2
67.05498	32.2
69.03416	14.0
69.07054	20.1
71.04986	7.3
71.08624	12.1
73.06559	3.3
77.03928	2.9
79.05476	35.6
81.07053	45.4
83.04974	18.0
83.08610	15.9
85.06519	5.7
85.10171	10.5
87.04463	11.4
89.06023	62.4
91.05474	55.9
93.07044	68.7
95.04959	26.7
95.08611	36.3
97.06520	13.7
97.10167	4.0
105.04524	7.0
105.07027	100.0
107.08591	73.3
109.06510	17.2
109.10159	36.4
111.04424	3.3
111.08056	5.6
113.09650	3.9
115.05412	3.3
117.07012	22.3
119.08575	77.1
119.98914	2.8
121.06499	11.6
121.10143	52.1
123.08044	28.9
123.11761	7.1
125.09647	15.4
125.52890	3.2
128.06212	17.0
129.06978	28.5
130.07768	11.7
131.08554	44.7
132.09360	5.3
133.06537	7.3
133.07668	5.5
133.08597	33.5
133.10109	45.9
135.08040	20.0
135.11661	11.8
137.09622	12.8
139.11195	3.4
141.06992	11.7
142.07788	34.6
143.08553	54.6
144.09331	13.0
145.06470	7.2
145.10110	76.9
146.07205	3.7
147.08028	15.3
147.11694	19.9
149.09584	18.5
149.13184	5.1
151.07503	7.5
153.06981	5.3
154.07742	6.4
155.08530	22.5
155.10616	6.7
156.09354	27.2
157.10121	71.0
158.10861	13.2
159.08064	21.7
159.11693	45.3
160.08835	4.5
160.12088	3.7
161.09602	19.3
161.13303	5.6
163.11201	9.3
165.07062	7.5
165.09113	12.2
166.07771	9.7
167.08592	15.6
167.10664	25.2
168.09343	10.0
168.10741	3.7
169.10092	32.9
170.10904	12.4
171.11656	35.3
172.12352	6.6
173.09622	13.0
173.13211	21.8
175.11125	20.7
175.14912	5.3
177.11266	15.7
177.12627	5.2
179.08603	19.0
180.09322	7.5
181.10065	25.8
182.10864	12.8
183.11693	33.9
184.08725	3.1
184.12474	6.5
185.09567	7.4
185.13228	26.6
186.13960	4.3
187.11192	7.4
187.14850	9.5
189.12755	6.9
191.14284	4.3
192.09256	4.1
193.10101	19.7
193.11827	3.6
194.10909	9.2
195.11699	32.1
196.12405	7.4
197.13229	30.9
199.11165	8.7
199.14803	14.9
201.12785	11.0
201.16351	3.8
203.14331	13.4
205.10207	3.9
205.12090	3.9
206.10837	6.7
207.11736	16.0
207.13567	4.6
208.12425	10.9
209.13264	29.9
210.13846	3.9
211.11160	8.3
211.14827	15.7
213.12753	8.5
213.16257	5.7
215.14291	8.7
217.10091	4.3
218.10881	4.9
219.11713	6.9
219.13776	3.5
220.12454	8.8
221.13521	18.1
221.15106	17.3
222.13895	7.1
223.14851	15.6
224.15591	3.3
225.12660	6.8
225.16429	8.5
227.14267	7.5
229.10109	3.6
229.15897	4.6
231.11658	7.3
231.13821	3.3
232.12482	3.9
233.13191	7.7
233.15363	24.1
234.16101	6.6
235.14784	13.3
237.16353	10.5
239.14168	6.1
241.15903	4.0
245.13205	3.6
246.13983	4.3
247.14806	11.1
248.15598	3.6
249.16391	8.7
251.17961	7.6
253.15694	5.0
255.17401	35.5
257.13104	5.8
257.24780	4.5
259.14658	5.9
261.16336	9.4
263.17831	7.2
265.19409	5.2
267.17313	4.1
269.18918	6.9
270.19806	3.8
273.18570	4.3
275.17950	4.4
281.18900	9.3
283.17270	4.8
283.20325	4.3
287.20151	4.2
289.19516	5.9
295.20502	4.7
299.20172	5.2
307.20520	3.8
347.23532	4.9
365.24805	4.6
383.25394	6.9
415.25439	7.2
457.30176	3.4
576.97778	3.2
600.41797	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01871	3.6
55.05518	17.8
57.07074	28.6
59.04991	3.1
65.03915	3.2
67.05498	32.2
69.03416	14.0
69.07054	20.1
71.04986	7.3
71.08624	12.1
73.06559	3.3
77.03928	2.9
79.05476	35.6
81.07053	45.4
83.04974	18.0
83.08610	15.9
85.06519	5.7
85.10171	10.5
87.04463	11.4
89.06023	62.4
91.05474	55.9
93.07044	68.7
95.04959	26.7
95.08611	36.3
97.06520	13.7
97.10167	4.0
105.04524	7.0
105.07027	100.0
107.08591	73.3
109.06510	17.2
109.10159	36.4
111.04424	3.3
111.08056	5.6
113.09650	3.9
115.05412	3.3
117.07012	22.3
119.08575	77.1
119.98914	2.8
121.06499	11.6
121.10143	52.1
123.08044	28.9
123.11761	7.1
125.09647	15.4
125.52890	3.2
128.06212	17.0
129.06978	28.5
130.07768	11.7
131.08554	44.7
132.09360	5.3
133.06537	7.3
133.07668	5.5
133.08597	33.5
133.10109	45.9
135.08040	20.0
135.11661	11.8
137.09622	12.8
139.11195	3.4
141.06992	11.7
142.07788	34.6
143.08553	54.6
144.09331	13.0
145.06470	7.2
145.10110	76.9
146.07205	3.7
147.08028	15.3
147.11694	19.9
149.09584	18.5
149.13184	5.1
151.07503	7.5
153.06981	5.3
154.07742	6.4
155.08530	22.5
155.10616	6.7
156.09354	27.2
157.10121	71.0
158.10861	13.2
159.08064	21.7
159.11693	45.3
160.08835	4.5
160.12088	3.7
161.09602	19.3
161.13303	5.6
163.11201	9.3
165.07062	7.5
165.09113	12.2
166.07771	9.7
167.08592	15.6
167.10664	25.2
168.09343	10.0
168.10741	3.7
169.10092	32.9
170.10904	12.4
171.11656	35.3
172.12352	6.6
173.09622	13.0
173.13211	21.8
175.11125	20.7
175.14912	5.3
177.11266	15.7
177.12627	5.2
179.08603	19.0
180.09322	7.5
181.10065	25.8
182.10864	12.8
183.11693	33.9
184.08725	3.1
184.12474	6.5
185.09567	7.4
185.13228	26.6
186.13960	4.3
187.11192	7.4
187.14850	9.5
189.12755	6.9
191.14284	4.3
192.09256	4.1
193.10101	19.7
193.11827	3.6
194.10909	9.2
195.11699	32.1
196.12405	7.4
197.13229	30.9
199.11165	8.7
199.14803	14.9
201.12785	11.0
201.16351	3.8
203.14331	13.4
205.10207	3.9
205.12090	3.9
206.10837	6.7
207.11736	16.0
207.13567	4.6
208.12425	10.9
209.13264	29.9
210.13846	3.9
211.11160	8.3
211.14827	15.7
213.12753	8.5
213.16257	5.7
215.14291	8.7
217.10091	4.3
218.10881	4.9
219.11713	6.9
219.13776	3.5
220.12454	8.8
221.13521	18.1
221.15106	17.3
222.13895	7.1
223.14851	15.6
224.15591	3.3
225.12660	6.8
225.16429	8.5
227.14267	7.5
229.10109	3.6
229.15897	4.6
231.11658	7.3
231.13821	3.3
232.12482	3.9
233.13191	7.7
233.15363	24.1
234.16101	6.6
235.14784	13.3
237.16353	10.5
239.14168	6.1
241.15903	4.0
245.13205	3.6
246.13983	4.3
247.14806	11.1
248.15598	3.6
249.16391	8.7
251.17961	7.6
253.15694	5.0
255.17401	35.5
257.13104	5.8
257.24780	4.5
259.14658	5.9
261.16336	9.4
263.17831	7.2
265.19409	5.2
267.17313	4.1
269.18918	6.9
270.19806	3.8
273.18570	4.3
275.17950	4.4
281.18900	9.3
283.17270	4.8
283.20325	4.3
287.20151	4.2
289.19516	5.9
295.20502	4.7
299.20172	5.2
307.20520	3.8
347.23532	4.9
365.24805	4.6
383.25394	6.9
415.25439	7.2
457.30176	3.4
576.97778	3.2
600.41797	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49613	2.0
51.02389	2.5
53.03940	4.7
55.01871	2.0
55.05510	18.0
57.07065	10.2
59.04999	4.1
65.03931	6.1
67.05501	34.3
68.31107	1.9
69.03427	11.9
69.07064	19.3
69.12420	13.4
71.04980	7.7
77.03920	3.3
79.05489	32.2
81.07056	40.3
82.07403	2.2
83.04972	19.3
83.08608	10.8
85.06548	9.2
87.04449	3.4
89.06024	4.2
91.05475	54.2
93.07039	68.3
93.07608	4.4
95.04971	24.7
95.08599	35.0
97.06523	14.4
103.05458	4.7
105.04497	2.4
105.07026	100.0
106.07841	2.2
107.04965	4.2
107.08587	69.6
109.06534	19.5
109.10152	30.1
111.08070	6.5
113.09635	6.2
115.05450	8.9
116.06221	3.0
117.07002	25.2
119.08575	78.4
121.06513	13.1
121.10144	53.4
123.08066	32.5
123.11722	4.2
125.09622	11.8
128.06198	18.0
129.07007	24.5
130.07764	8.5
131.08562	43.8
132.09326	3.6
133.06483	7.5
133.07463	2.5
133.10120	40.8
135.08049	15.4
135.11717	10.4
135.99001	2.0
137.09596	12.3
139.11159	4.2
141.06964	14.5
142.07788	28.7
143.08565	56.9
144.09344	13.6
145.06479	7.9
145.10115	65.3
145.11230	4.2
146.10941	3.1
147.08046	13.3
147.11687	23.6
148.08855	2.1
149.09604	14.4
151.07510	11.0
151.11179	3.6
153.06990	6.1
153.09055	1.9
154.07748	5.2
155.08549	20.0
155.10631	11.4
156.09348	23.4
157.10133	69.6
158.10928	12.3
159.08044	20.5
159.11681	43.2
160.08797	7.5
161.09624	17.8
161.13240	7.5
162.10255	2.0
163.11165	9.8
165.06972	7.5
165.09099	13.5
165.12646	2.1
166.07748	4.9
167.08548	14.0
167.10669	24.6
168.09346	7.8
168.10881	2.3
169.10120	31.6
170.10895	13.2
171.08168	4.0
171.11681	49.3
171.74031	2.4
172.12433	4.6
173.09642	15.5
173.13225	24.2
175.11121	17.0
175.14841	6.4
176.12006	3.0
177.09142	2.3
177.12735	4.6
178.07782	2.9
179.08571	13.9
180.09270	5.0
181.10112	25.3
181.12094	3.6
182.10855	8.6
183.11682	35.9
184.12445	4.9
185.09596	6.1
185.13275	23.6
186.14035	4.4
187.11192	6.7
187.14809	12.0
189.12738	10.4
189.16499	2.4
190.13544	4.6
191.08521	2.0
191.14290	6.5
192.09242	4.6
193.10135	21.9
193.12076	4.3
194.10886	12.2
195.11693	33.7
195.13554	2.9
196.12480	11.6
197.09596	4.9
197.11525	2.8
197.13231	28.8
198.13972	3.9
199.11206	8.5
199.14828	16.0
200.15440	2.5
201.12732	7.8
201.16306	4.7
201.25935	2.0
203.14310	11.9
204.09297	3.4
205.10141	2.4
206.10872	8.7
207.11674	24.6
207.13651	4.2
208.12404	10.4
208.14362	3.0
209.09409	2.6
209.13283	25.2
209.15239	3.6
210.14009	6.4
211.11186	6.6
211.14825	20.3
212.15527	2.8
213.12715	11.9
213.16359	6.9
215.14360	10.3
216.09297	1.9
217.15968	3.9
218.10887	2.8
218.16588	3.2
219.11646	8.6
220.12404	6.5
221.13248	15.6
221.15363	22.8
222.13948	4.3
223.11171	4.4
223.14813	17.7
224.15300	2.7
225.12715	4.9
225.16458	9.6
227.14276	7.0
227.17929	2.6
229.15916	5.5
231.11618	5.1
231.17381	2.1
232.12428	2.9
233.13182	6.4
233.15303	27.0
234.13928	4.4
234.16054	6.3
235.14771	12.2
236.15572	2.5
237.12767	5.0
237.16513	12.5
238.17148	2.1
239.14308	5.3
239.17999	3.6
241.15872	4.0
244.12529	2.2
245.13165	4.8
245.15457	2.5
246.13921	3.4
246.16206	4.8
247.14774	7.1
247.17064	3.4
248.15565	3.7
249.16362	6.9
251.17940	3.7
253.15775	5.7
255.17380	30.0
257.18832	2.8
258.14087	2.3
259.14664	3.3
260.15433	3.0
261.16379	8.8
263.17911	6.0
265.15665	2.7
265.19482	4.4
267.17422	4.7
268.18277	3.3
269.19031	7.7
270.19717	6.5
273.16043	2.8
273.18460	5.3
274.19464	2.2
275.17819	4.8
277.15753	2.6
277.19510	4.0
279.17255	2.5
281.00571	2.1
281.18985	8.9
282.19656	3.4
283.20496	2.9
285.18591	4.0
286.19379	3.4
287.17459	2.7
287.20264	5.2
289.19412	4.7
291.17542	2.4
291.21033	2.3
293.18817	2.1
295.20557	6.4
296.21033	1.9
297.18753	3.2
299.20212	5.5
309.18250	2.8
311.20029	2.2
313.21954	2.2
329.22534	3.9
347.23697	5.6
352.24011	3.7
361.25110	2.6
365.24774	7.6
383.25824	7.2
399.26947	2.4
520.34863	2.5
582.40186	3.3
600.41461	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01871	3.6
55.05518	17.8
57.07074	28.6
59.04991	3.1
65.03915	3.2
67.05498	32.2
69.03416	14.0
69.07054	20.1
71.04986	7.3
71.08624	12.1
73.06559	3.3
77.03928	2.9
79.05476	35.6
81.07053	45.4
83.04974	18.0
83.08610	15.9
85.06519	5.7
85.10171	10.5
87.04463	11.4
89.06023	62.4
91.05474	55.9
93.07044	68.7
95.04959	26.7
95.08611	36.3
97.06520	13.7
97.10167	4.0
105.04524	7.0
105.07027	100.0
107.08591	73.3
109.06510	17.2
109.10159	36.4
111.04424	3.3
111.08056	5.6
113.09650	3.9
115.05412	3.3
117.07012	22.3
119.08575	77.1
119.98914	2.8
121.06499	11.6
121.10143	52.1
123.08044	28.9
123.11761	7.1
125.09647	15.4
125.52890	3.2
128.06212	17.0
129.06978	28.5
130.07768	11.7
131.08554	44.7
132.09360	5.3
133.06537	7.3
133.07668	5.5
133.08597	33.5
133.10109	45.9
135.08040	20.0
135.11661	11.8
137.09622	12.8
139.11195	3.4
141.06992	11.7
142.07788	34.6
143.08553	54.6
144.09331	13.0
145.06470	7.2
145.10110	76.9
146.07205	3.7
147.08028	15.3
147.11694	19.9
149.09584	18.5
149.13184	5.1
151.07503	7.5
153.06981	5.3
154.07742	6.4
155.08530	22.5
155.10616	6.7
156.09354	27.2
157.10121	71.0
158.10861	13.2
159.08064	21.7
159.11693	45.3
160.08835	4.5
160.12088	3.7
161.09602	19.3
161.13303	5.6
163.11201	9.3
165.07062	7.5
165.09113	12.2
166.07771	9.7
167.08592	15.6
167.10664	25.2
168.09343	10.0
168.10741	3.7
169.10092	32.9
170.10904	12.4
171.11656	35.3
172.12352	6.6
173.09622	13.0
173.13211	21.8
175.11125	20.7
175.14912	5.3
177.11266	15.7
177.12627	5.2
179.08603	19.0
180.09322	7.5
181.10065	25.8
182.10864	12.8
183.11693	33.9
184.08725	3.1
184.12474	6.5
185.09567	7.4
185.13228	26.6
186.13960	4.3
187.11192	7.4
187.14850	9.5
189.12755	6.9
191.14284	4.3
192.09256	4.1
193.10101	19.7
193.11827	3.6
194.10909	9.2
195.11699	32.1
196.12405	7.4
197.13229	30.9
199.11165	8.7
199.14803	14.9
201.12785	11.0
201.16351	3.8
203.14331	13.4
205.10207	3.9
205.12090	3.9
206.10837	6.7
207.11736	16.0
207.13567	4.6
208.12425	10.9
209.13264	29.9
210.13846	3.9
211.11160	8.3
211.14827	15.7
213.12753	8.5
213.16257	5.7
215.14291	8.7
217.10091	4.3
218.10881	4.9
219.11713	6.9
219.13776	3.5
220.12454	8.8
221.13521	18.1
221.15106	17.3
222.13895	7.1
223.14851	15.6
224.15591	3.3
225.12660	6.8
225.16429	8.5
227.14267	7.5
229.10109	3.6
229.15897	4.6
231.11658	7.3
231.13821	3.3
232.12482	3.9
233.13191	7.7
233.15363	24.1
234.16101	6.6
235.14784	13.3
237.16353	10.5
239.14168	6.1
241.15903	4.0
245.13205	3.6
246.13983	4.3
247.14806	11.1
248.15598	3.6
249.16391	8.7
251.17961	7.6
253.15694	5.0
255.17401	35.5
257.13104	5.8
257.24780	4.5
259.14658	5.9
261.16336	9.4
263.17831	7.2
265.19409	5.2
267.17313	4.1
269.18918	6.9
270.19806	3.8
273.18570	4.3
275.17950	4.4
281.18900	9.3
283.17270	4.8
283.20325	4.3
287.20151	4.2
289.19516	5.9
295.20502	4.7
299.20172	5.2
307.20520	3.8
347.23532	4.9
365.24805	4.6
383.25394	6.9
415.25439	7.2
457.30176	3.4
576.97778	3.2
600.41797	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	600.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.0
57.07074	33.2
59.05008	1.4
67.05505	9.5
69.03432	2.7
69.07065	6.8
70.62157	1.8
70.62487	1.2
71.05006	1.6
71.08633	25.4
73.06553	7.4
79.05499	7.9
81.07052	11.1
82.07394	1.1
83.04996	3.0
83.08627	3.9
85.06528	1.9
85.10186	14.6
86.10473	1.0
87.04491	6.2
89.06030	100.0
91.05479	14.6
93.07053	15.1
94.07388	1.2
95.04958	6.8
95.08602	9.5
95.84249	1.0
97.06536	3.5
97.10160	4.0
99.11732	2.6
101.06089	1.2
105.04527	1.6
105.07026	22.5
107.07101	2.1
107.08592	15.3
109.06522	4.7
109.10160	6.6
111.08100	1.5
111.11737	2.4
113.13317	1.5
113.31580	1.3
115.05451	2.1
117.07040	4.7
117.09135	4.3
119.08580	18.6
121.06493	2.4
121.10151	12.6
123.08101	6.0
125.09669	2.4
128.06207	4.1
129.07018	5.3
130.07784	2.4
130.08650	1.5
131.07060	2.0
131.08549	9.8
133.06468	1.5
133.08607	46.0
133.10103	10.9
135.08034	3.3
135.11710	2.3
137.09630	2.9
139.11174	1.7
141.06999	3.5
142.07796	7.2
143.08572	10.0
144.09358	2.0
145.10129	14.2
147.08072	5.3
147.11673	4.3
149.09625	2.4
151.07538	1.2
154.07776	1.3
155.08603	3.9
155.10609	2.3
156.09323	4.5
157.10114	15.4
158.10875	2.6
159.08076	3.9
159.11717	8.9
160.08910	2.1
161.09657	2.8
161.11742	1.7
161.13251	3.0
163.11143	2.0
165.06990	2.4
165.09193	2.6
167.08626	3.6
167.10686	6.1
168.09323	2.4
169.10141	7.9
169.19502	2.4
170.10851	2.2
171.11687	10.1
172.12402	1.7
173.09674	3.1
173.13286	4.3
175.09744	1.5
175.11211	3.2
175.14905	1.3
177.11223	17.4
177.12651	1.0
179.08543	3.1
181.10133	3.8
182.10869	2.8
183.11710	6.6
185.09674	1.5
185.13261	5.6
187.11238	1.9
187.14824	3.2
189.12752	2.7
191.14262	1.4
192.09294	1.1
193.10172	4.6
193.12024	1.2
194.10785	1.5
195.11627	5.8
196.12549	1.5
196.45738	1.2
197.13268	5.7
199.11276	1.2
199.14880	3.6
201.12750	2.3
203.14337	3.1
205.10135	1.6
206.10927	1.2
207.11673	4.7
207.13542	1.5
208.12347	1.4
209.13213	5.3
210.14140	1.5
211.14890	3.6
213.12740	2.3
213.22163	3.5
215.14301	2.9
217.47951	1.1
221.13589	4.5
221.15466	3.9
222.13979	1.4
223.14868	3.2
224.15453	1.2
225.16420	2.4
230.10849	1.3
233.13193	2.2
233.15401	5.1
234.15974	1.2
235.14792	1.9
237.16342	2.6
241.15755	1.5
246.13947	1.1
247.14864	1.5
249.16336	1.7
251.17854	1.6
253.15802	1.3
255.17441	6.5
257.24771	6.9
259.14713	1.6
261.16296	1.2
265.16510	1.5
283.17691	1.6
301.27411	3.9
364.01736	1.4
415.25595	5.2
541.24463	2.3
583.43994	4.7
600.41339	3.3
601.26062	5.0
601.36353	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	601.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55803	0.2
57.64522	0.2
58.55938	0.2
65.03919	0.4
67.05499	3.1
69.07059	1.0
71.22853	0.3
75.80597	0.2
79.05465	0.2
81.07040	0.2
91.05441	0.9
93.05694	0.2
93.06995	0.4
94.06003	0.2
94.06558	3.8
95.04955	0.4
95.08580	0.3
96.04446	0.2
103.41005	0.2
106.06528	0.3
107.04944	0.3
108.08120	1.7
109.06480	0.2
116.04929	0.3
120.08067	0.5
122.06021	10.8
124.07502	0.3
131.07278	0.3
132.08096	0.4
134.06006	2.5
136.06581	0.3
136.07564	5.5
138.09065	0.6
140.07060	2.0
144.08046	0.3
146.05984	0.8
146.09645	1.5
148.07549	1.3
150.09183	0.2
152.07022	0.3
154.04944	0.4
162.05434	0.4
164.07030	1.4
166.08597	1.2
167.07202	0.3
172.07579	0.4
173.07060	0.4
174.05466	0.5
174.09097	0.5
181.08821	0.3
182.09700	0.4
186.05434	0.2
187.08568	0.3
188.07069	0.3
190.04953	0.9
191.14200	0.3
192.08005	0.2
193.07555	0.4
194.08247	0.4
195.09065	0.4
196.07573	0.6
196.09583	0.2
198.09207	0.4
206.08257	0.4
207.09038	0.5
208.09938	0.6
209.10683	1.4
210.09296	0.4
210.11443	0.8
211.08545	1.2
211.12288	0.4
212.07080	0.2
212.09239	0.3
213.10185	1.0
219.09000	0.3
220.07788	0.3
220.09715	0.4
221.10703	5.4
222.09148	0.9
222.11263	2.8
223.08472	2.6
223.12157	3.0
224.09224	1.7
224.12814	1.3
225.10141	2.0
225.13782	0.7
226.10945	0.3
227.08072	0.7
227.11665	0.4
233.10620	0.4
233.23714	0.2
234.09317	0.3
234.11324	0.5
235.08623	3.9
235.12268	4.8
236.09378	3.5
236.12965	2.7
237.10185	15.0
237.13725	3.0
238.08844	0.3
238.10944	8.0
238.14595	0.5
239.08115	0.7
239.11758	4.7
239.15359	0.3
240.12489	0.6
241.09775	0.6
241.13028	0.3
247.08661	0.7
247.12241	1.4
248.09132	2.1
248.13095	0.6
249.10204	24.1
249.14192	0.6
250.07347	0.6
250.10927	8.8
251.08118	3.5
251.11769	24.3
252.08853	1.9
252.12500	5.7
253.09711	0.8
253.13254	2.4
254.10426	0.5
255.11256	0.3
261.10089	1.4
261.12421	0.2
262.08429	0.2
262.10916	1.0
263.08206	2.6
263.11771	15.6
264.09021	4.2
264.12546	31.1
265.09708	16.3
265.13293	21.7
266.10449	3.9
266.14063	7.0
267.11441	1.8
267.14792	2.3
268.11987	0.4
269.09125	0.7
269.12836	0.7
275.11786	1.8
276.09488	0.4
276.12509	0.9
277.09726	14.3
277.13187	1.7
278.10406	3.5
279.11258	24.6
280.11966	2.3
281.09210	1.8
281.12808	8.0
282.13470	0.5
283.10791	1.2
283.13965	0.3
284.11365	0.3
285.12405	0.4
287.14035	0.4
291.11246	5.8
291.14551	0.3
292.11935	2.9
293.12802	10.5
293.21460	0.3
294.13580	12.0
295.10733	12.7
295.14337	5.1
296.11511	5.1
296.14743	0.3
297.12314	4.3
298.13449	0.3
300.12280	0.3
301.12491	0.3
303.11234	0.6
305.09155	2.2
305.12579	0.3
306.09958	1.2
307.11032	1.0
307.13992	0.2
309.12299	33.6
310.12924	2.8
311.13870	50.6
312.14471	2.5
315.14804	0.3
316.14291	0.3
319.10773	10.6
319.14178	0.4
320.11499	5.0
321.12317	13.6
322.12845	0.7
323.10312	3.0
323.13910	0.7
324.11014	8.5
325.11774	4.6
326.12534	0.3
327.13638	0.6
330.15958	0.3
331.12991	0.3
336.14294	0.2
337.11786	65.3
338.12506	17.6
339.13358	100.0
340.13766	4.5
341.15454	0.3
342.11856	0.2
342.16000	0.6
344.14011	1.0
354.13416	0.3
356.13794	0.4
357.14432	4.4
358.15286	0.6
359.16766	0.4
363.13287	0.5
370.15588	0.5
372.17099	0.5
382.15424	0.3
384.13602	0.2
386.14514	0.2
386.18814	1.7
387.15762	0.6
396.16882	0.3
398.18283	0.3
399.16037	0.3
400.16605	0.3
401.17303	0.2
414.18097	2.1
416.19653	10.9
417.19592	0.4
420.19064	0.4
432.19138	3.6
434.21091	0.4
435.21381	0.2
436.22269	0.7
438.20160	0.5
442.17593	6.6
443.18201	0.3
446.12570	0.2
448.14014	0.3
450.20151	0.6
452.21820	2.7
460.18628	96.3
461.18997	5.1
462.20279	3.8
478.19791	1.8
479.20718	0.5
480.21295	27.2
481.21387	1.1
542.12604	0.3
583.25391	1.2
601.26758	6.1
602.27069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3712
Annotation	Phorbol 12-tiglate 13-decanoate
Peak:m/z	Relative Intensity
50.60376	1.0
51.28028	1.1
51.46805	1.0
53.03958	1.2
55.05512	4.7
57.07066	1.7
67.05505	13.3
69.03433	1.2
69.07064	3.8
69.12713	5.7
69.13119	2.8
70.06613	1.5
79.05491	10.1
80.28886	1.1
81.07048	9.9
83.04998	2.8
83.08627	1.6
85.06538	1.4
89.06000	1.9
91.05485	8.9
93.07033	14.1
95.04971	2.9
95.08597	9.3
95.75976	1.2
105.07040	13.1
106.07357	1.8
107.04953	1.4
107.08598	7.9
109.06506	2.6
109.10152	4.1
110.39526	1.3
111.08105	1.3
115.05428	1.3
117.07015	3.4
119.08580	9.7
120.08930	1.3
121.06410	1.6
121.10155	7.8
123.08106	1.4
125.09685	1.4
129.06989	1.9
131.08542	3.6
133.06514	1.6
133.10117	3.9
135.08049	2.4
135.11732	2.3
141.06924	1.6
142.07776	2.6
143.08533	5.5
144.08963	1.4
145.10127	6.6
146.10506	2.1
147.07986	2.7
149.09653	1.8
151.07574	1.7
155.08481	2.1
157.10141	6.1
159.11719	2.9
161.09563	1.4
161.13222	1.6
163.11174	2.9
165.09126	3.5
167.10692	3.4
168.11006	1.2
169.10098	2.1
171.11748	2.7
173.13271	2.4
175.11200	2.0
179.08536	1.6
181.09982	1.9
185.13158	1.4
195.11769	1.6
197.13237	2.0
203.14371	1.6
207.11830	1.8
207.13879	1.7
209.13127	1.6
211.14833	1.5
221.15254	8.7
222.15698	1.9
233.15431	2.2
234.16127	1.4
249.10982	27.5
250.11511	1.4
256.26334	1.5
267.12033	7.2
300.20773	1.6
304.19620	1.5
305.13647	3.9
335.25732	2.4
352.23807	2.4
353.24222	3.0
521.35931	2.0
583.35974	73.7
584.36249	5.0
601.36963	100.0
602.15192	3.4
602.37256	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	3.0
51.89751	1.6
53.03924	3.4
55.01866	2.8
55.05506	23.1
57.07070	8.2
59.05009	3.2
62.17427	1.6
65.03936	4.3
67.05499	31.2
67.82075	1.8
68.70293	2.1
69.03422	15.2
69.07064	24.5
71.04988	3.1
76.67290	1.9
77.03913	3.2
79.05486	36.8
80.05846	2.7
81.07051	44.3
83.04975	17.9
83.08610	13.2
85.06538	7.4
87.04469	5.7
87.97798	2.1
89.06057	2.8
91.05471	66.9
92.05817	2.7
93.06445	4.2
93.07037	84.5
94.07349	2.3
95.04958	29.1
95.08597	35.6
96.08948	2.2
97.06518	14.9
103.05470	6.9
105.04511	5.7
105.07021	100.0
105.22311	1.7
106.07353	5.3
107.04988	3.8
107.08581	74.4
108.08927	4.9
109.06501	18.3
109.10136	27.2
110.10471	2.3
111.08092	4.7
113.09634	4.8
115.05461	8.3
116.06221	3.8
117.07002	23.9
119.08570	90.0
120.08936	5.7
121.06510	12.2
121.10131	72.5
121.10989	3.4
122.10480	3.5
123.08067	14.2
123.11708	8.2
125.09646	11.4
128.06204	12.0
129.07005	20.9
130.07832	8.6
131.08556	43.8
131.09459	3.3
132.08929	2.1
133.06516	6.0
133.07591	1.7
133.10115	53.6
134.10455	4.3
135.08043	17.2
135.11681	17.0
137.09598	11.3
139.11168	5.3
141.06982	9.2
142.07780	25.1
143.08559	37.2
144.09355	10.4
145.06511	3.6
145.10115	56.6
145.11221	3.1
146.10522	5.6
147.08031	12.2
147.11678	25.6
149.09610	20.9
149.13316	4.6
151.07564	5.7
151.11105	3.3
153.06975	5.5
155.08537	16.7
155.10635	4.3
156.09328	21.2
157.10110	50.4
158.10820	8.5
159.08075	19.5
159.11678	36.2
160.08501	2.6
160.12085	5.2
161.09601	12.7
161.13255	7.1
163.11209	6.2
165.06996	7.8
165.09132	8.8
166.07722	2.8
167.08594	11.4
167.10660	41.6
168.09361	8.4
169.10106	27.0
170.10760	9.3
171.11671	32.4
172.12288	5.3
173.09605	6.0
173.13254	19.9
174.10364	2.3
174.13623	3.1
175.11171	8.3
175.14812	12.3
176.11536	2.2
177.12660	2.5
178.07762	2.5
179.08534	11.6
180.09241	5.4
181.10118	17.2
181.12256	3.3
182.10829	9.3
183.11670	22.4
184.12357	3.8
185.09628	4.1
185.13257	13.6
186.13680	4.3
187.11214	6.7
187.14812	11.2
189.12758	5.8
190.13387	2.6
191.14302	5.2
192.09328	4.8
193.10164	13.7
194.10962	9.6
195.11638	25.4
196.12383	8.5
197.13203	24.7
198.13675	3.9
199.11072	3.5
199.14832	12.0
200.15280	2.9
201.12738	6.0
201.16328	5.4
203.14302	5.8
205.10167	3.1
206.10844	8.7
207.11768	15.7
207.13644	3.2
208.12411	7.2
209.13245	22.8
210.13924	5.4
211.11201	4.5
211.14771	16.7
212.15347	3.0
213.12787	6.0
213.16397	6.0
215.14308	4.2
217.10120	3.5
217.15883	3.7
219.11661	4.9
220.12383	5.3
221.13226	11.7
221.15385	21.2
222.13832	4.7
222.15781	3.7
223.11188	2.5
223.14775	13.3
224.15295	3.8
225.12820	4.0
225.16385	7.7
227.14305	6.1
230.10823	2.5
231.11717	3.4
232.12366	4.3
233.13158	7.7
233.15271	26.4
234.13866	4.9
234.15933	4.5
235.14804	8.7
235.16896	2.7
236.15414	3.3
237.12732	3.6
237.16321	7.7
239.14247	2.4
239.17825	3.3
241.15750	2.9
243.11665	3.3
245.13173	5.2
246.13861	2.4
247.14832	4.8
248.15346	2.6
249.16356	6.6
250.17151	2.2
251.17935	4.8
253.15836	3.1
255.17480	7.5
256.17801	3.2
257.19025	2.2
259.14761	3.8
260.15366	2.0
261.16330	7.5
263.17984	5.2
265.15689	2.0
265.19559	6.3
267.17538	2.5
267.20908	1.7
268.17935	2.4
269.19034	7.5
270.98303	2.0
271.20291	2.9
272.49265	1.8
273.18585	4.0
274.16946	2.2
275.17871	4.3
281.19025	3.0
283.20587	3.9
285.18900	3.0
287.17557	3.2
287.20358	2.6
289.19403	2.8
295.20624	4.6
299.20154	4.2
301.21667	2.6
311.20337	2.2
331.24191	2.8
335.23602	2.3
348.24478	2.6
361.24902	3.2
420.36615	2.0
480.53247	1.8
503.36053	1.8
565.40912	2.6
579.19049	1.7
583.41278	6.9
601.26044	15.4
601.37030	28.4
602.15710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.5
55.73831	3.3
57.07066	6.4
57.89465	3.2
67.05499	9.9
68.18253	2.9
69.03423	5.6
69.07077	3.3
69.21972	18.8
78.94289	3.8
79.05482	8.3
81.07056	17.0
83.05009	3.5
89.77832	2.6
91.05470	15.6
93.07032	28.3
95.05004	5.5
95.08601	18.9
105.07011	19.9
107.08585	21.5
109.06505	6.2
109.10157	6.8
117.07024	5.1
119.08580	27.5
121.06499	4.5
121.10144	18.3
123.08092	10.7
125.05964	3.4
129.06992	6.5
131.08542	11.3
133.10135	17.8
135.08026	7.9
135.11740	6.4
137.09596	11.7
142.07761	3.6
143.08563	9.9
144.09392	4.3
145.10092	21.1
147.08064	13.5
147.11682	4.5
149.09525	3.1
151.07559	8.6
157.10062	15.4
159.11732	15.8
161.13300	5.0
163.11183	7.0
165.09097	36.4
166.09535	3.9
169.10117	4.5
171.11702	10.5
175.11128	4.7
175.14735	4.1
181.12227	6.1
183.11661	6.1
185.13264	7.8
187.14854	4.1
189.12711	5.0
195.11725	5.0
196.12376	4.2
197.13284	3.8
197.83545	3.3
203.14319	11.1
207.13731	5.0
209.13237	4.9
219.13759	4.3
221.13387	3.8
221.15341	100.0
222.15717	8.9
234.16171	4.2
237.16516	4.5
247.17017	6.7
248.17366	3.6
251.80122	3.1
287.20062	4.1
299.20023	5.5
353.24274	5.3
367.26437	5.3
441.29428	6.4
491.35052	13.0
509.36017	5.9
521.35962	5.8
522.63782	3.7
583.41217	11.7
601.42383	39.7
608.33453	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	602.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	4.4
67.05486	2.2
69.03425	10.1
69.41384	3.1
69.41781	6.1
73.02905	2.6
81.03409	1.7
85.02901	27.0
95.04942	10.9
97.02892	9.3
109.02868	2.6
123.04390	2.3
127.03917	2.7
137.06009	2.9
141.06949	1.7
142.07759	1.4
145.04967	5.6
154.07791	2.0
161.05969	11.0
163.03990	1.4
163.52104	1.5
169.10083	2.9
172.08847	3.7
175.07510	1.8
179.08572	2.9
182.07275	3.8
185.05933	1.6
187.07494	2.4
187.11205	2.3
197.09608	9.7
198.06741	2.6
199.11125	1.4
200.08281	5.0
201.09059	6.3
213.09171	2.9
215.10645	21.9
225.09076	16.3
226.10043	1.6
228.07759	8.7
239.07042	1.5
241.08496	7.8
243.10155	100.0
244.10477	3.5
255.10155	4.1
262.87930	1.5
267.10181	1.7
285.11157	6.1
285.85492	1.5
314.62720	1.5
369.13419	1.9
405.15408	51.9
406.15686	2.2
419.37906	1.5
514.29517	1.5
567.20709	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	602.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01868	4.8
55.05511	14.5
55.94276	1.7
57.03422	4.4
57.07069	12.1
58.74597	1.5
61.02908	6.8
68.99786	3.1
69.03067	2.7
69.03424	39.0
69.07064	15.3
70.14347	1.4
70.50742	2.2
71.04975	4.1
71.08623	2.8
73.02917	3.0
81.03409	25.4
81.07047	7.6
83.08614	52.4
85.02897	85.3
87.00827	43.2
91.03896	1.9
95.96817	1.6
97.02882	28.0
97.10155	12.4
99.04442	12.6
105.01858	52.5
109.02867	55.3
111.04456	2.3
117.01812	2.7
127.03904	100.0
128.04228	2.3
129.01797	3.5
136.42749	1.7
137.13213	4.0
139.14853	2.0
145.04927	16.1
153.25060	1.5
157.15863	22.0
159.02861	7.3
159.15092	1.5
172.97354	1.4
175.16908	24.9
189.03867	2.1
213.03934	17.7
213.15865	1.5
231.04976	52.0
249.06047	6.2
265.17838	4.2
283.19162	3.4
342.65424	1.8
343.21091	3.9
369.18954	10.1
371.43054	1.7
387.20123	14.4
405.20981	2.7
583.16748	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05512	8.4
57.03441	14.5
61.02929	9.8
62.55582	2.4
69.03427	27.9
69.07065	51.0
69.44624	5.9
69.45004	5.7
70.06598	9.3
73.02915	28.1
81.03384	3.6
84.04501	5.8
85.02903	75.2
85.05510	2.5
86.09700	100.0
86.10223	5.0
91.03957	8.7
97.02879	36.9
98.06023	2.9
109.02893	6.5
111.11698	22.0
115.03931	23.0
126.05535	8.5
127.03889	21.5
128.05444	2.3
133.04970	6.5
145.04953	35.6
149.28279	2.5
151.57304	2.3
157.13420	4.1
162.07637	10.8
163.06029	37.9
176.99936	2.4
197.09212	15.6
198.37154	2.9
203.99483	2.5
213.99713	2.7
223.06100	3.6
227.17841	3.0
241.07074	7.1
259.08240	9.0
275.16058	10.6
295.10187	10.6
300.19171	12.6
325.11154	5.3
328.18610	38.4
433.24066	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	603.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95765	0.4
66.74845	0.4
69.20712	2.5
70.06586	100.0
71.06920	1.2
84.08128	0.9
86.02380	0.5
89.79160	0.5
91.05486	1.5
93.67166	0.5
98.06046	1.0
103.05457	1.4
104.06454	0.5
105.07024	1.1
111.09204	1.5
115.08683	2.3
116.07092	1.2
120.08095	29.6
121.08344	0.6
127.08665	24.6
130.06532	2.4
132.08069	7.3
139.08685	1.3
144.08109	0.8
155.08138	43.1
165.06595	1.2
166.09758	0.6
167.08165	3.5
170.09625	3.4
172.11186	22.4
173.11574	0.7
177.10292	1.3
184.10867	1.5
194.09291	1.5
200.10661	0.5
201.13913	0.5
205.09901	0.5
211.12389	0.5
211.21089	0.4
212.10281	8.1
217.13414	1.6
219.61075	0.4
222.12756	4.0
229.13338	11.2
245.12773	1.1
252.13396	1.2
257.12802	5.3
267.14938	1.3
267.79767	0.5
274.15414	4.2
281.16043	0.7
295.14474	1.0
296.14093	0.7
302.14957	5.7
307.14496	0.6
309.15533	9.1
313.16745	1.1
314.14954	2.9
319.17822	2.2
331.17618	7.5
347.17493	1.1
359.17154	1.3
375.16510	0.5
404.19974	0.8
410.61075	0.5
411.20386	1.5
421.22198	2.9
428.22949	5.7
433.22232	0.7
438.21692	0.5
443.65509	0.5
449.21805	3.6
456.22351	13.8
456.28519	0.8
461.21780	0.7
478.24475	2.7
506.24164	2.8
530.28003	1.5
538.42108	0.6
558.27319	2.9
575.29724	25.7
576.29816	1.7
585.28265	8.7
603.29242	33.1
604.29895	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
79.05476	1.3
81.07065	2.4
91.05473	0.9
93.07051	1.7
94.91252	0.4
95.08594	2.4
98.22693	1.6
100.94224	0.4
105.06969	1.0
106.07355	0.5
107.08582	1.4
109.10135	0.9
119.08615	0.8
121.10175	0.6
131.08620	0.6
133.10106	0.7
145.10156	0.5
147.11719	0.7
251.12404	2.6
269.13611	8.9
308.37814	0.5
325.16022	2.6
335.25806	1.3
431.78647	0.5
585.37341	5.3
603.38580	100.0
604.38770	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	603.387
Annotation	25-Anhydrocimigenol-3-O-beta-xyloside
Peak:m/z	Relative Intensity
53.64834	0.3
55.05507	0.7
57.03445	0.3
67.10400	0.3
69.07057	0.9
71.45100	0.3
78.70171	0.3
79.05486	1.7
81.07072	2.9
83.08627	0.5
91.05475	0.9
91.31190	0.3
93.07041	1.7
95.08617	1.4
98.23499	0.9
105.07013	1.0
107.08620	0.9
109.10151	0.5
118.88859	0.3
119.08607	1.1
120.23130	0.3
121.10123	0.8
128.83408	0.3
131.08606	0.5
133.10129	0.6
135.11737	0.4
139.11264	0.3
145.10158	0.4
189.02939	0.5
217.02534	0.6
218.02843	0.6
225.10904	0.6
251.12509	1.7
265.20493	0.4
269.13602	7.1
307.15268	0.9
323.54953	0.4
325.16260	4.5
335.25821	0.6
499.09509	0.9
559.36206	0.8
585.37567	6.8
603.16711	2.2
603.38623	100.0
604.16357	0.4
604.38953	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	604.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22919	12.6
55.01875	12.5
60.44719	11.1
66.22829	12.6
69.03413	23.2
69.07062	24.6
70.06580	62.5
79.05492	11.5
81.03404	26.2
81.07051	38.8
83.04936	16.3
84.08148	27.6
85.02898	86.3
87.00832	34.9
93.07045	23.8
95.08614	38.0
97.02889	54.2
97.78915	11.2
98.22653	23.6
99.04477	16.8
101.05991	13.0
105.01877	15.2
105.07024	30.0
107.08598	30.6
109.02861	33.5
109.10146	45.2
111.11710	21.8
119.08601	58.6
120.08112	14.9
121.10140	25.6
127.03919	69.5
127.11122	12.1
133.10115	34.3
145.04851	24.3
145.10138	21.0
147.11684	43.6
149.13203	14.4
153.08887	11.4
159.11703	32.8
161.13278	41.1
173.13237	30.7
175.14841	41.8
193.12152	22.1
205.12100	15.3
207.13762	17.6
221.15457	23.5
257.22659	95.0
283.79410	13.7
303.23105	100.0
469.05246	13.7
480.79865	14.4
505.27649	18.3
546.31378	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	604.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34382	3.0
53.03950	4.9
55.05503	9.2
57.03447	3.2
57.07077	5.3
57.07346	2.9
61.02944	2.7
67.05501	10.3
69.03421	14.8
69.07066	21.7
69.68952	13.1
76.15848	2.9
78.26569	2.8
79.05500	19.8
81.03415	12.2
81.07052	82.3
81.07506	5.4
83.08623	5.3
85.02899	41.5
87.00826	24.1
91.05473	6.5
93.07039	18.4
95.08600	36.6
97.02895	23.2
97.10165	5.2
98.70060	3.0
99.04462	6.3
105.01866	56.3
105.07020	23.1
107.08579	26.2
109.02866	11.2
109.10139	33.9
111.11739	7.9
119.08569	39.2
121.10147	17.7
123.11723	10.8
127.03916	40.9
131.08614	9.4
133.10107	32.1
135.11719	15.1
145.05003	21.3
145.10106	18.3
147.11688	61.8
149.13283	21.6
159.02879	3.4
159.08058	3.4
159.11685	23.7
161.13251	45.7
163.14842	9.8
165.12744	6.9
173.13214	23.5
175.14816	40.0
177.16347	5.5
179.10576	6.2
187.14812	18.7
189.16299	3.9
190.00017	3.4
193.12187	47.8
193.13698	3.5
194.38831	2.7
195.13782	3.4
201.16467	15.4
203.17534	3.5
205.12268	5.8
207.13771	31.3
208.09219	2.9
215.18053	7.0
219.13806	4.3
220.52872	3.4
221.15305	24.2
231.05048	15.7
233.15416	5.7
245.22691	5.1
247.17064	3.9
249.06056	14.3
257.22626	100.0
258.22980	4.9
275.03931	3.0
275.23730	8.4
284.09842	7.5
285.22134	8.0
291.23325	3.9
303.23190	75.0
505.27875	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	604.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01860	2.0
55.05511	8.0
57.03448	1.2
57.07072	2.5
61.02924	1.5
67.05495	8.9
69.03428	9.5
69.07064	15.7
69.63881	4.1
71.04984	1.8
73.02896	2.4
76.89667	0.9
79.05478	8.1
81.03414	5.2
81.07050	37.7
83.08606	6.2
84.66148	0.9
85.02900	25.1
85.03409	1.6
87.00826	11.4
91.05469	6.3
93.07030	11.4
95.08023	1.9
95.08598	30.8
97.02880	10.6
97.10170	6.1
99.04430	3.4
105.01861	18.3
105.07024	17.3
107.08581	16.2
109.02879	8.8
109.10148	27.5
111.11720	6.3
117.01864	1.1
117.06982	1.8
119.08563	22.2
119.09396	1.5
121.10127	14.1
123.11690	11.7
125.13284	1.0
127.03896	18.1
131.08560	5.4
133.10118	25.3
135.11685	13.3
135.70483	1.0
137.13268	3.4
139.11163	1.5
142.07813	1.0
145.04953	9.2
145.10117	15.0
147.11676	48.5
149.13237	18.9
151.11172	1.4
155.20825	1.0
157.10178	2.0
159.02899	3.9
159.11679	20.7
161.13245	35.0
163.07613	1.0
163.14835	7.7
165.12746	2.6
173.13229	19.1
174.13687	1.5
175.14804	26.6
177.16376	3.5
179.10612	5.4
179.14270	1.6
185.13139	2.3
187.14799	14.1
189.16351	2.6
193.12225	48.1
195.13683	1.2
201.16356	15.2
205.12230	5.1
207.13805	20.9
207.17001	1.1
211.14705	1.8
215.18002	4.9
219.13802	7.4
221.15367	13.6
229.19579	1.3
231.04948	8.5
233.15364	5.7
235.17024	1.5
247.16933	2.9
249.06097	4.7
256.20236	1.1
257.22620	100.0
258.22833	2.8
259.24307	1.7
267.20993	1.7
275.23700	8.5
285.22159	8.0
287.84631	1.2
291.23410	1.5
303.23169	73.6
304.23499	2.6
309.21664	0.9
321.24200	2.1
365.24713	1.3
487.26782	1.4
505.27881	3.1
533.27423	1.3
533.84125	1.1
604.17017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55108	59.6
73.08687	26.3
96.05090	26.0
111.53083	26.8
115.63948	24.3
128.66733	24.5
132.40292	27.0
153.48326	29.2
177.05461	30.9
272.06503	37.8
429.04315	88.7
605.08691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01869	7.6
57.03433	1.5
57.84785	0.8
65.03923	1.2
68.99792	1.9
69.03432	7.5
69.06995	7.1
70.06615	0.9
71.04987	1.6
73.02914	1.4
79.05473	1.9
81.03411	8.5
84.08182	1.2
85.02901	15.0
87.00819	5.0
89.03971	1.1
91.05485	3.8
94.04187	5.0
95.04929	0.9
97.02879	6.2
98.22575	2.1
99.04479	3.7
100.69296	0.8
103.05470	7.2
105.01842	2.0
105.07028	3.4
106.32793	1.1
107.05001	1.4
107.13992	0.9
109.02866	6.5
109.06504	2.0
111.04450	2.2
115.05464	3.7
117.03388	1.2
117.07038	1.2
120.05711	1.5
122.03634	11.0
125.05961	1.6
127.03920	7.3
128.06213	2.6
129.06999	5.2
131.04919	12.5
133.06453	1.3
135.08044	1.5
137.05971	100.0
138.06297	1.9
143.04936	1.5
144.05704	1.1
145.04948	2.5
145.06516	2.0
146.03638	1.4
148.05186	1.4
149.05939	1.4
151.03917	1.3
153.05519	2.5
155.04878	1.2
156.05753	0.9
157.06459	4.6
159.02895	1.9
159.04372	1.0
160.05183	1.6
161.05960	9.8
162.06767	1.0
163.03947	1.4
163.07532	18.7
165.05478	6.6
165.06731	1.2
171.04608	0.8
172.05197	1.6
173.05901	4.4
174.06779	1.5
175.07492	6.5
177.05440	4.4
179.07153	1.0
185.06021	4.8
187.07541	2.4
189.07108	1.4
189.09096	2.4
190.07751	3.3
191.07034	24.5
191.08575	4.7
199.07597	3.9
202.07864	1.3
203.06952	2.3
203.08675	1.7
205.08522	2.3
207.08112	3.0
208.08748	1.0
215.07079	3.5
217.06630	1.9
217.08556	18.8
218.07169	4.4
219.08031	7.7
220.08893	1.3
229.06575	2.2
231.08089	3.1
233.06134	1.1
233.09612	1.6
234.06799	3.3
235.07541	5.9
236.08301	3.1
237.09048	1.3
246.06705	7.0
247.07475	8.2
248.08342	3.1
249.09048	5.0
250.09868	1.8
251.07117	1.7
251.10654	2.0
253.08678	1.1
257.06024	3.3
259.07452	5.6
260.08487	1.0
261.09125	10.4
262.06250	2.6
263.06989	4.5
263.10861	1.4
264.07718	5.0
265.08643	2.9
266.09424	0.9
267.10165	2.7
274.06339	4.9
275.06931	5.5
276.07785	2.3
277.08585	9.3
278.09277	3.6
279.07309	0.8
279.10150	5.4
289.08554	18.7
290.09250	3.0
291.06775	1.9
291.10104	15.5
293.08289	1.2
294.08905	4.9
295.09610	2.0
297.11404	1.7
306.08771	5.5
307.09619	24.1
308.10263	2.8
309.11179	11.9
311.12946	1.1
321.11206	41.9
322.11469	2.0
323.12756	18.7
327.12292	24.3
328.12781	1.1
339.12210	24.0
340.12555	1.5
341.13849	9.9
357.13321	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75947	1.6
57.07376	1.5
59.18820	1.6
65.42457	1.6
71.26084	1.6
71.44023	1.8
73.02885	2.6
73.04754	7.1
77.00603	31.5
77.98470	1.6
79.02161	4.6
81.21119	1.7
87.04434	3.6
89.06022	8.8
91.05785	10.5
93.03686	1.8
94.34223	1.6
95.01640	100.0
97.49415	1.7
105.07082	8.0
105.07654	1.5
113.02687	3.5
117.03689	1.7
117.07314	6.9
117.09172	1.7
118.03217	6.3
119.01624	4.8
119.18037	1.8
121.03172	7.3
133.08603	4.0
136.97458	1.6
145.06775	18.2
147.04715	95.0
161.09956	5.2
165.05791	13.3
169.03470	2.9
188.07358	3.0
189.09308	7.9
191.07364	23.4
235.09940	5.3
239.09554	10.3
239.72281	1.8
241.42598	1.6
409.22552	5.6
549.58142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86356	0.7
51.47086	0.7
53.03939	2.8
55.01878	3.3
57.03432	1.5
61.02915	1.9
68.99801	1.2
69.03420	9.5
69.26313	1.2
69.26660	3.8
71.04987	1.9
73.02907	2.6
79.05475	1.2
81.03413	7.7
81.07046	1.0
83.01336	0.8
85.02896	19.3
87.00341	1.2
87.00825	10.7
91.03931	0.8
91.05466	2.5
94.04177	2.4
97.02886	17.3
99.04443	2.5
103.05435	2.1
105.01861	7.1
105.06987	0.8
107.04916	1.2
108.86979	0.7
109.02858	7.5
109.06492	1.1
111.04465	0.9
115.03924	4.5
115.05451	5.2
116.50819	0.7
117.01846	1.3
117.07012	1.6
117.71452	0.8
121.06483	0.9
122.03616	6.6
122.19161	0.7
125.02347	0.9
127.03920	13.7
128.06218	1.1
129.06995	4.6
131.04935	3.3
137.05966	100.0
138.06328	1.4
141.06982	1.7
143.04893	7.5
144.05678	1.6
145.04936	6.9
145.06551	1.4
147.02943	0.7
147.04282	0.8
151.03946	0.9
151.07542	4.1
153.05400	1.3
157.06445	5.0
159.02884	4.8
160.05196	9.2
161.04430	1.9
161.05959	2.3
163.07495	4.0
165.05560	1.0
172.05182	2.9
173.05986	0.7
174.06754	2.4
175.07529	66.6
176.07872	1.4
177.05452	1.0
177.09068	0.8
183.16669	0.6
187.07536	26.9
188.07896	1.0
189.09068	7.9
191.08565	1.3
196.05257	0.7
199.07556	0.8
201.03929	1.6
201.09006	1.6
203.08609	1.6
205.08571	9.3
205.10408	0.9
211.07608	1.5
217.08559	4.6
219.08022	2.3
219.10158	3.5
227.07085	0.9
231.05017	1.8
231.08022	3.3
235.09596	9.0
239.07140	1.3
240.07861	1.2
247.04533	1.6
247.07434	1.1
248.08296	2.7
255.06647	1.5
255.95923	0.7
259.07535	0.9
260.08078	0.8
261.08984	0.9
263.06866	0.7
263.10672	3.1
264.07663	0.8
270.08768	4.1
271.09595	7.4
276.07834	1.3
279.10211	2.7
283.09561	1.6
291.10144	7.4
293.11667	1.4
295.09601	1.0
296.10492	0.9
308.10504	1.4
311.12820	3.5
313.14471	1.1
323.12744	10.6
325.14426	3.0
341.13800	10.2
357.13367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
120.36021	0.3
128.04514	0.3
222.11726	0.4
223.12135	0.3
233.10854	0.4
251.11818	0.4
322.13327	0.5
370.51190	0.4
373.14447	0.6
374.15182	0.5
375.16254	1.1
375.42007	0.3
376.17093	0.5
386.16397	0.3
387.16196	0.7
388.17004	1.3
389.17599	3.8
390.18631	2.2
391.18945	1.5
401.17789	1.3
402.14099	0.5
402.18561	1.2
403.19370	5.8
404.20123	1.9
405.20801	3.4
415.19510	0.6
416.15457	1.4
416.20807	0.7
417.16278	5.4
417.21283	2.4
418.17010	2.1
418.22403	0.7
419.22519	7.1
420.23276	1.4
430.17975	1.2
431.18359	10.2
432.19138	5.0
433.20242	4.9
434.20728	0.4
444.19730	0.5
445.20203	6.7
446.20929	10.5
447.21777	10.0
448.22339	1.1
459.17416	0.9
459.21979	1.6
460.18939	1.1
461.19485	1.9
462.24588	0.6
463.21033	0.9
473.18707	0.5
473.23398	1.2
474.20337	5.8
475.21106	6.3
475.26694	0.4
476.21701	0.4
477.23364	0.9
478.23639	0.9
487.21368	2.0
488.22095	0.6
490.24002	0.7
491.19977	3.4
501.22873	1.2
502.24432	0.4
505.22345	1.1
506.23193	0.7
518.22644	0.5
519.24084	18.0
520.24054	1.1
547.23376	14.4
548.23889	0.7
551.26605	0.5
561.25043	0.5
575.22070	0.4
579.25909	5.8
589.25092	0.4
607.25458	100.0
608.25830	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	607.2547
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.01028	0.6
56.29753	0.7
67.05507	1.5
68.83070	0.6
70.08736	1.6
79.05504	0.8
81.07052	1.5
84.75084	0.6
91.05476	1.3
98.22792	0.7
105.07032	1.8
119.08570	0.9
133.10184	0.8
157.10088	0.6
157.84370	0.7
171.68427	0.7
221.10709	0.8
223.23462	0.7
314.92487	0.6
358.85602	0.7
375.16156	1.3
387.16180	0.9
388.16837	1.5
389.17673	3.5
390.18747	1.3
391.19360	1.1
401.17841	1.3
402.18860	1.4
403.15128	0.7
403.19293	6.3
404.20010	3.0
405.20798	3.6
416.16275	2.1
417.17029	4.1
417.21115	2.6
418.17267	1.1
418.22079	1.1
419.22461	7.8
420.22955	0.9
430.17816	1.9
431.18152	9.4
431.23853	0.8
432.18912	3.6
433.20221	3.6
445.20209	7.2
446.20932	8.9
447.21643	12.3
459.17380	1.5
459.22864	1.2
460.18118	1.0
461.19583	1.4
463.25018	2.0
473.18985	1.2
474.20410	11.1
475.21194	13.8
478.23834	1.0
487.21149	1.9
488.22586	0.9
490.23407	1.4
491.20178	1.9
501.22784	2.6
506.23120	0.9
519.24219	14.0
520.24255	0.8
547.23370	70.4
548.23859	3.6
549.32129	0.8
561.25201	1.0
579.26031	4.0
589.24365	1.6
601.74426	0.8
607.25452	100.0
608.25793	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	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
60.66895	0.3
67.05508	0.9
69.52430	0.8
69.52823	0.8
73.61464	0.3
79.05491	0.8
81.03438	0.7
81.07060	1.1
86.81768	0.4
91.05473	0.5
91.33176	0.3
91.97050	0.3
93.07069	1.0
125.44316	0.4
159.11707	0.5
176.85408	0.4
198.58817	0.3
249.31891	0.4
295.58508	0.4
359.59991	0.5
374.14999	0.5
375.16080	0.9
387.16025	0.8
388.16833	1.0
389.17862	2.5
390.18649	1.3
391.19406	1.8
395.12994	0.4
401.18057	0.5
402.18695	0.7
403.15775	0.6
403.19568	4.3
404.20132	1.8
405.20740	2.9
415.19556	0.6
416.16336	1.7
417.16376	4.6
417.21292	1.6
418.16830	1.8
418.22455	0.6
419.18051	0.5
419.22485	5.8
420.23047	1.1
429.16638	0.5
430.17938	1.3
431.18289	7.7
432.19052	3.3
433.20105	4.7
435.22156	0.6
445.20117	4.5
446.20993	8.1
447.21652	9.8
448.22614	0.8
459.21902	1.7
460.18845	1.3
461.19897	1.5
463.25485	0.6
473.24112	0.6
474.20251	4.9
475.20905	5.2
476.21765	0.4
477.23297	0.8
478.23575	0.7
487.21265	1.4
491.20203	2.9
501.22827	1.2
505.22604	1.1
519.24042	16.1
520.24438	1.2
547.23370	12.2
548.23834	1.2
551.26605	0.6
579.26001	5.3
580.26215	0.5
607.25476	100.0
608.25897	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	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
69.61742	7.8
72.69722	3.7
127.92815	2.6
172.19675	2.9
277.82874	3.2
317.35226	3.5
403.19348	9.4
404.19449	3.5
417.20706	11.0
418.22012	6.4
419.22412	6.7
431.18298	19.5
432.19312	4.9
433.23944	14.6
445.19772	21.6
446.20938	5.5
447.21649	6.8
459.21796	10.2
460.22565	21.9
461.23178	20.5
473.23679	5.3
487.25131	3.5
491.23730	3.5
505.22433	5.3
519.23950	4.4
547.27051	42.7
548.27521	4.1
578.25769	3.0
607.29059	100.0
608.29407	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	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.63031	0.8
81.33948	0.3
124.32643	0.3
173.98712	0.4
186.31432	0.3
202.23277	0.3
236.56973	0.3
290.49704	0.3
293.67453	0.3
387.16080	0.6
388.16876	0.9
389.17499	1.5
391.19360	0.3
401.17661	1.0
402.18488	1.3
403.19196	3.9
404.19897	1.6
405.20715	1.8
415.19540	0.7
416.20276	1.0
417.16071	0.5
417.21249	4.3
418.21808	2.3
419.22437	3.4
429.21408	0.5
430.17261	0.8
430.22311	0.6
431.18033	7.8
431.23718	0.6
432.18716	2.3
433.24039	9.7
434.24368	1.1
444.19293	0.8
445.19791	9.4
446.20645	4.0
447.21820	3.1
457.20148	0.4
459.21371	4.0
460.22516	9.7
461.23264	10.1
462.24063	0.4
473.23914	2.3
474.24023	1.1
477.22870	0.5
487.24881	1.4
488.25925	0.5
491.24759	0.5
492.24603	0.5
505.21628	1.5
506.26871	0.5
515.24762	0.5
519.24573	1.0
519.27277	1.1
532.24225	0.5
533.25305	0.4
547.26996	34.7
548.27417	2.4
575.26416	0.9
578.24396	0.4
579.29449	0.9
592.26996	0.4
607.29108	100.0
608.29492	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	608.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01872	8.9
57.03447	7.8
59.17808	7.8
67.65740	6.4
68.25180	6.4
69.03426	29.1
70.50080	7.1
73.02908	11.0
73.19051	7.0
76.09676	6.3
81.03424	27.3
81.07054	7.4
85.02909	58.4
85.92639	7.7
87.00829	27.0
95.04963	8.2
97.02885	44.9
99.04462	13.6
103.78431	6.3
105.01881	28.0
109.02873	25.6
111.96740	7.1
115.05537	6.6
122.06047	8.2
123.04429	65.9
127.03909	66.0
129.36357	7.3
135.04410	100.0
135.05374	9.7
143.04926	21.1
145.04950	33.0
145.06473	7.2
149.05975	10.5
158.18983	7.3
159.02910	12.0
161.05968	71.0
173.05948	80.2
175.07600	10.2
185.05995	30.6
191.06995	16.7
203.07066	17.0
221.08102	21.0
231.05023	11.5
231.08170	10.8
233.08138	8.6
247.07634	8.5
255.06557	16.2
265.13321	12.0
307.09689	16.7
325.10632	31.2
377.24759	8.1
485.15790	10.9
487.16983	20.8
548.19952	8.3
576.19568	12.0
608.22540	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25206	1.0
55.05501	2.0
57.07074	1.8
57.22855	1.0
61.13253	0.8
61.66290	1.0
67.05495	7.2
69.03425	2.6
69.07072	5.5
70.06603	1.3
70.47670	1.0
70.48005	1.1
74.06060	1.3
74.24757	0.9
79.05463	1.4
81.07031	4.9
83.08609	2.7
84.08123	1.2
85.02896	1.3
85.06471	1.1
85.23769	0.9
91.05466	5.2
93.07047	3.9
95.08599	15.4
95.09156	1.8
97.02878	1.6
98.22746	1.2
105.07002	9.3
107.05186	0.9
107.08584	4.9
109.10145	19.7
119.08572	38.7
120.08913	1.0
121.10157	2.5
123.08082	1.3
124.29468	0.9
127.03947	1.0
131.08560	1.8
133.10123	46.1
134.10442	1.1
135.11655	7.3
137.09612	7.6
139.91718	0.9
145.10080	2.8
147.11681	11.6
149.13258	3.5
151.14819	4.8
158.56274	0.9
160.12492	2.9
172.83585	1.0
173.13266	1.5
174.06815	0.9
175.14815	100.0
176.15175	2.0
193.15881	21.6
243.10184	1.4
265.09644	1.1
287.44333	0.9
306.63412	1.0
469.11804	1.6
476.22577	1.0
564.27521	1.2
594.50385	1.0
608.25714	4.3
608.35553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.45079	0.3
51.88797	0.3
67.05500	0.6
69.46160	1.6
73.06645	0.4
79.05506	0.5
81.07056	0.5
82.25577	0.3
82.27921	0.3
93.07040	0.8
95.08619	0.6
105.07030	0.6
107.08579	0.3
117.06856	0.3
119.94055	0.3
121.10135	0.3
126.94731	0.3
131.08566	0.6
133.10149	0.3
141.52359	0.3
145.10103	0.3
147.11662	0.4
157.69281	0.3
223.12282	0.4
245.22963	0.3
304.56656	0.3
355.07071	0.3
375.16574	0.5
376.17413	0.3
377.17645	0.6
378.18802	0.4
388.16785	0.4
389.17755	1.1
390.18579	0.6
391.19049	1.7
392.20435	0.5
402.18811	0.5
403.19455	1.6
404.15350	0.4
404.20074	1.3
405.21014	2.3
406.21442	0.8
407.22260	1.9
415.19189	1.2
416.20300	0.7
417.16803	1.4
417.21753	2.0
418.17157	0.6
418.22226	0.6
419.18112	1.1
419.23077	3.0
420.22961	1.3
429.17026	0.9
430.17917	1.3
431.18097	4.5
432.18524	1.7
432.24210	0.6
433.20163	7.5
434.21008	0.8
435.21924	1.0
443.18619	1.1
444.18845	1.9
445.19794	3.8
446.21191	3.4
447.22073	4.7
448.23035	1.6
449.23257	0.7
456.19733	0.4
457.20624	0.5
458.21002	5.7
459.21774	4.7
460.22791	3.2
461.19904	1.5
462.19946	0.6
463.21048	2.8
473.23608	0.9
475.20651	1.7
476.21753	2.1
477.22672	1.9
478.23749	0.6
487.25293	0.8
489.18549	0.5
490.23254	1.0
491.19839	0.5
503.23895	1.1
505.21762	0.8
507.24380	0.4
517.22302	0.5
518.22919	3.3
519.23907	8.4
520.24377	0.6
521.25177	2.0
531.23889	2.6
532.24731	1.3
535.23499	0.5
536.23877	0.7
548.24139	0.4
549.24896	5.2
563.25854	0.5
581.26483	0.4
591.26056	10.0
592.26691	0.9
609.26996	100.0
610.27301	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	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
91.05799	1.7
92.30695	1.2
99.68978	1.1
130.40718	1.1
133.58493	1.2
195.64590	1.3
358.18607	1.4
378.52338	1.3
391.19186	2.8
392.20261	1.7
405.20929	3.7
406.22000	1.4
407.22339	3.3
412.82196	1.5
420.23120	1.5
421.23883	4.1
422.24582	1.9
429.20679	3.5
430.22052	1.4
432.19623	1.9
447.17606	1.5
457.23868	1.5
459.21616	2.7
461.19537	5.9
462.20642	1.8
473.19699	1.4
474.20282	2.0
475.21021	10.8
476.21783	6.9
477.22830	5.5
485.23242	4.5
486.20435	2.6
487.24402	1.5
488.22336	1.9
489.22787	5.4
499.21017	4.0
500.21796	2.4
503.24759	7.2
504.24216	1.9
513.23071	1.9
515.24146	5.8
521.25079	4.0
531.24017	9.5
549.24933	2.0
550.25446	3.2
559.23193	4.5
577.24414	3.2
591.26215	14.7
592.26733	2.0
609.26996	100.0
610.27673	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
69.27161	8.7
82.08481	1.5
119.19062	1.4
159.13606	1.8
164.52596	1.8
168.94395	1.8
197.48280	1.8
345.80353	1.8
405.21005	3.0
406.21481	2.6
407.22272	2.5
415.19016	3.6
419.22604	2.4
421.24026	3.1
422.24380	1.8
429.20728	4.2
431.23099	1.9
433.24728	2.6
442.21237	1.6
444.22925	2.8
457.24063	3.9
459.21713	2.8
461.19815	6.5
463.21063	2.5
475.20877	11.5
476.21997	9.4
477.22870	7.2
485.23407	13.7
486.20306	3.2
489.23071	3.6
499.21167	2.6
500.22284	2.1
503.24268	5.3
513.22943	3.8
515.24310	10.9
531.23865	21.8
550.25586	5.9
559.23169	9.6
577.23969	2.1
591.26074	35.8
592.26123	2.6
609.26965	100.0
610.27094	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.32026	0.3
52.65882	0.3
69.97202	1.1
79.05556	0.3
94.06573	0.3
95.35934	0.4
98.22739	0.4
223.12308	0.4
261.31216	0.4
388.16864	0.6
389.17627	1.4
390.18433	0.4
391.19092	0.5
401.17691	0.7
402.18411	0.5
403.19360	2.5
404.20273	0.9
405.20865	1.2
415.19330	0.6
416.20413	0.7
417.15958	1.7
417.20944	1.8
418.22073	0.8
419.22699	4.0
420.23276	0.5
428.16156	0.6
429.16708	0.9
430.17819	1.0
431.17905	4.3
432.18951	1.8
433.20352	2.4
434.20911	0.4
435.21933	0.9
443.18817	3.8
444.18808	1.8
445.20038	7.9
446.21005	5.1
447.21811	4.9
449.23367	1.1
457.20206	0.6
458.21280	1.2
459.22229	2.4
460.23355	0.4
461.19574	1.1
462.20465	1.2
463.20892	2.5
473.23199	0.6
475.21429	1.1
476.22055	4.9
477.22839	5.3
478.23666	1.0
489.22574	0.8
491.20856	1.2
504.21594	0.4
505.21802	0.8
508.24695	0.5
519.23865	14.7
520.24359	0.7
521.21350	2.4
531.23779	0.6
549.24988	11.4
550.24927	0.4
551.27222	0.6
578.25842	0.6
579.25989	6.0
581.27570	0.5
591.25690	1.7
609.27026	100.0
610.27325	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03961	1.6
55.05508	7.8
56.77003	1.1
57.03424	1.6
61.33447	1.1
63.95526	1.1
67.05499	14.9
69.07074	6.4
69.12410	2.0
69.12809	7.5
76.52334	1.1
79.05493	12.5
81.07045	14.0
83.08608	3.8
91.05448	10.2
93.07048	10.8
95.04980	2.5
95.08596	12.2
97.06535	2.0
105.07024	11.2
106.80299	1.4
107.04980	1.3
107.08588	8.9
109.06472	1.7
109.10165	5.1
113.93888	1.2
113.94815	1.2
117.07026	6.6
119.08586	8.0
121.10157	4.7
128.06221	1.7
129.07002	4.1
131.08534	8.8
133.10083	6.5
135.11710	2.7
141.06989	2.4
143.08571	5.4
145.10123	10.4
147.11655	3.1
149.09596	1.4
149.13272	1.7
155.08530	3.3
157.10158	5.6
159.11716	7.5
159.12802	1.2
167.08513	2.6
169.10143	7.6
170.10498	1.4
171.11728	4.6
173.13281	2.9
181.10117	2.8
183.11682	5.8
185.13275	4.1
193.10086	1.5
195.11630	2.1
197.13255	3.3
199.14828	2.0
207.11569	1.8
209.13226	2.5
211.14856	1.7
223.14793	2.5
232.75543	1.2
237.16539	1.8
244.92076	1.2
257.19012	5.3
259.20599	1.4
275.20068	7.7
355.06937	2.3
377.29095	1.4
399.73666	1.3
416.20035	1.3
429.20755	1.5
433.24313	1.5
444.23206	1.9
447.21054	3.9
453.87509	1.3
459.21609	1.7
460.22726	2.5
461.23553	3.2
462.22049	2.8
468.96313	1.5
476.22098	2.6
477.23648	2.1
487.25110	2.9
493.25388	1.3
503.24399	1.5
516.38690	1.9
517.40216	4.2
521.21869	3.9
531.23938	15.2
535.41504	1.6
549.24823	10.6
550.27820	3.3
591.26025	3.2
591.43958	3.6
608.43994	13.4
609.27069	100.0
609.44659	41.6
610.27454	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.40215	0.4
55.05500	1.1
60.58036	0.3
67.05510	2.3
69.07050	0.7
69.36144	2.0
72.50867	0.4
79.05489	2.4
81.07037	2.3
83.08608	0.5
91.05427	2.1
93.07040	1.4
95.08602	1.3
97.06532	0.5
98.23523	0.4
105.07043	1.3
106.06619	0.4
107.08601	1.0
109.10184	0.7
117.07001	0.8
119.08562	1.1
121.10136	0.7
122.07224	0.4
129.07048	0.8
129.52206	0.4
131.08545	1.1
133.10173	0.7
136.07896	0.3
143.08578	0.6
145.10153	1.3
147.11705	0.8
155.08569	1.0
156.09259	0.5
159.11734	0.7
161.13306	0.5
169.10091	0.8
171.11740	0.5
173.13290	0.5
183.09142	0.5
195.11610	0.5
197.13310	0.6
207.13824	0.6
209.10701	0.7
211.12337	0.6
225.10318	0.6
251.11833	0.8
273.11169	1.4
298.13412	0.5
342.16116	0.5
355.06757	0.6
369.14240	0.6
377.17712	0.5
389.17801	0.5
391.19388	1.1
392.19754	0.6
393.20508	0.6
403.19196	1.2
404.15805	0.5
405.16571	1.1
405.21503	1.9
406.21719	0.6
407.22372	1.0
417.17139	1.3
418.17862	1.3
419.18661	2.5
419.22818	1.4
420.18985	0.8
421.24026	2.3
429.17075	0.7
431.18509	1.3
431.23032	0.9
432.19424	1.2
433.20093	4.2
434.21063	1.4
435.21719	2.1
443.18811	0.8
445.20303	3.1
446.21124	1.4
447.22781	3.4
448.23111	2.7
449.23404	3.6
450.24121	0.7
458.21240	0.8
459.21799	1.9
460.23038	0.8
461.19055	2.2
462.20148	0.8
463.21085	2.0
475.20993	1.9
475.30554	0.5
476.22006	5.4
477.22870	4.2
489.22968	1.4
492.25714	0.6
493.21997	0.7
503.24524	1.2
507.24060	0.8
517.40802	0.6
519.24030	3.1
521.22528	2.3
531.23737	1.2
549.24969	14.5
549.33398	0.8
550.24414	0.5
577.24469	0.6
579.25714	0.8
581.27759	1.1
591.26190	2.2
591.44110	0.5
592.26746	1.4
608.44189	0.5
609.27026	100.0
609.44580	4.1
610.27234	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	609.2879
Annotation	Sylviside
Peak:m/z	Relative Intensity
53.74807	0.7
55.05500	1.0
66.92462	0.6
69.38273	1.2
69.38683	2.3
91.05819	0.8
98.22716	1.5
100.11260	1.8
127.00068	0.9
139.92218	0.8
167.03206	2.5
182.15395	1.4
185.04291	1.1
227.05196	3.3
271.04233	9.3
289.05136	0.7
299.23444	2.0
343.22388	18.3
344.22769	1.1
355.06827	1.5
361.23459	33.6
362.23990	0.9
379.96414	0.8
523.28870	0.9
529.27576	1.4
547.28821	6.1
565.29694	9.4
573.26697	10.2
591.27740	52.8
592.27722	3.3
608.47028	1.2
609.28741	100.0
610.28784	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	609.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95847	0.3
63.32256	0.3
64.74891	0.3
91.05795	0.5
95.08577	0.3
104.06469	0.3
109.10144	0.3
119.01849	0.6
143.87547	0.3
175.41470	0.3
179.42818	0.3
187.00899	0.5
202.86986	0.3
203.05180	1.3
227.05257	0.9
229.03171	0.4
231.32431	0.4
245.06316	4.6
271.04190	1.1
289.05267	100.0
290.05673	2.4
343.22421	7.6
355.07047	0.5
361.23328	1.2
390.38657	0.3
420.35236	0.3
446.98685	0.4
565.29260	0.6
591.27563	0.7
609.28796	34.2
610.29089	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.5
73.04749	0.7
79.05496	2.1
81.07051	4.6
91.05824	1.2
93.07045	1.0
95.08602	1.1
107.08573	0.8
120.57088	0.5
121.10186	1.6
121.57554	0.5
131.08572	0.9
202.21701	2.6
203.05273	1.4
203.21983	1.2
227.05231	0.9
245.06348	10.8
247.35170	0.6
287.03754	0.9
289.05280	23.0
332.26520	0.6
343.22455	4.9
355.07092	1.3
361.23450	1.2
505.27731	1.1
523.28748	1.0
547.28546	3.6
565.29663	7.9
591.27661	24.7
592.27460	0.8
609.28748	100.0
610.29083	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57668	0.5
51.69318	0.5
53.03952	0.9
55.01872	1.9
55.05510	15.2
57.03434	3.5
57.07067	2.0
59.04994	0.8
65.03942	1.4
67.05504	27.0
69.07066	11.8
69.07447	0.7
71.04993	1.1
73.04759	0.7
73.66893	0.5
79.05487	16.4
81.07053	26.6
83.04998	1.0
83.08620	6.3
85.06540	1.2
91.05454	16.1
93.06446	1.0
93.07042	19.3
94.07440	0.5
95.04977	4.1
95.08604	19.4
97.06540	2.6
97.10159	3.7
103.05466	0.8
105.04527	1.1
105.07025	16.7
107.08585	11.2
109.06503	0.6
109.10149	8.4
111.08090	0.8
115.05463	1.6
117.07015	9.4
119.06129	0.5
119.08578	15.4
121.10160	7.1
123.08070	1.2
123.11697	1.4
124.83527	0.5
125.09632	0.8
128.06200	3.5
129.06998	12.9
130.07768	1.1
131.08562	13.3
132.08914	0.7
133.10121	11.3
135.06154	0.5
135.11690	5.3
137.13295	1.2
139.11151	0.9
141.06979	6.4
142.07767	2.8
143.08551	15.2
143.09621	1.0
144.09346	0.8
145.10114	13.6
147.11667	6.4
149.13297	2.0
153.07028	1.8
154.07761	2.5
155.08536	14.9
155.10536	0.6
156.09343	2.8
157.10130	15.2
158.10912	0.6
159.11691	10.3
161.13254	2.9
163.14857	1.1
165.07048	1.8
166.07692	1.2
167.08548	6.8
168.09325	2.2
169.10117	16.3
170.10873	1.3
171.11687	12.9
173.13255	6.7
174.12827	1.7
175.13217	0.9
175.14842	2.3
179.08542	2.4
180.09254	1.0
181.10115	10.2
182.10915	2.0
183.11678	14.6
184.12419	1.1
185.13239	8.9
187.14832	2.8
193.10132	2.9
194.10909	1.1
195.11670	9.0
196.12384	1.3
197.13251	11.0
199.14784	5.5
201.16457	1.2
203.18010	0.8
204.09517	0.5
205.10191	0.6
207.11711	4.2
208.12555	0.8
209.13229	7.3
210.13905	0.7
211.14748	8.0
213.14824	0.6
213.16461	4.2
219.11665	1.3
221.13225	3.4
222.13997	1.1
223.14781	5.4
225.16394	4.4
227.18102	2.6
229.19487	1.1
233.13275	1.3
235.14900	2.6
237.16345	3.5
239.09602	1.2
239.18008	3.1
241.19626	2.1
247.14896	0.7
249.16446	1.6
251.18047	3.0
253.19597	2.2
257.18936	1.4
263.17957	1.6
265.19626	1.3
267.21152	1.3
268.98041	0.8
271.20694	0.7
272.10577	1.2
273.10822	1.2
279.21030	1.6
281.22638	0.8
283.20477	0.8
285.00766	0.7
295.24298	0.7
297.21979	0.6
299.20190	0.7
299.23492	0.8
307.20731	1.1
309.21942	1.0
311.20255	1.0
311.23743	0.9
321.22162	0.8
323.23834	1.6
325.25058	0.9
327.23267	0.8
333.21878	0.7
335.23560	1.1
337.25354	1.2
339.22946	0.8
347.23199	0.6
349.25153	1.1
351.26932	1.9
353.24707	0.9
355.06973	2.1
355.26425	0.8
361.25320	0.6
365.28641	1.1
367.26285	0.7
375.26541	0.9
377.28314	1.0
379.30099	1.4
381.27872	0.7
385.50229	0.5
389.28583	0.7
391.30173	0.7
393.31616	1.3
395.29559	0.6
397.27048	0.7
409.31342	0.7
419.33154	0.6
421.30856	0.7
431.18164	0.6
433.24310	1.0
433.30078	1.0
435.32645	0.6
447.32376	1.6
449.34280	0.6
459.21695	4.8
460.22678	1.5
461.23489	0.9
499.39471	2.0
503.24527	1.6
515.38116	0.6
517.40399	14.8
518.40619	0.7
533.25562	1.9
535.41541	7.5
535.49109	1.0
539.37439	1.7
549.24744	1.5
553.41656	1.2
555.41888	0.6
573.42999	2.1
591.44098	14.4
592.26740	7.9
592.44720	0.8
593.27319	1.5
609.27014	7.7
609.45081	100.0
610.26874	0.9
610.45435	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01864	1.8
55.05507	20.3
57.03429	4.4
57.07081	3.1
65.03940	2.0
67.05500	33.1
67.36908	1.0
69.07063	14.9
69.70067	0.9
71.04990	1.9
73.14906	1.1
79.05486	21.0
81.07047	32.8
83.04973	1.4
83.08603	8.4
85.06556	2.5
91.05472	18.8
93.07040	25.7
93.07605	1.8
95.04972	3.0
95.08598	28.9
97.06549	2.7
97.10153	5.0
102.25617	0.9
105.04565	1.5
105.07021	19.5
107.08588	14.5
109.10146	15.4
111.08047	1.1
111.11735	1.4
115.05422	1.4
116.59226	0.9
117.07012	11.4
119.08571	20.0
121.10132	12.6
123.11715	3.0
125.09695	1.4
128.06241	4.1
129.06998	13.7
131.08548	19.9
133.10121	15.7
135.11684	7.4
137.13261	1.2
141.06973	7.0
142.07791	4.1
143.08553	19.8
145.10120	19.8
147.11694	8.4
149.13268	2.9
153.07013	1.1
154.07803	1.9
155.08539	14.6
156.09354	4.0
157.10098	16.6
157.11230	1.6
159.11684	14.2
161.13257	5.4
163.14810	1.4
165.07039	1.3
167.08528	6.4
168.09267	1.5
169.10115	19.1
171.11668	16.7
173.13272	10.2
175.14854	2.8
179.08626	2.9
180.09290	1.2
181.10085	12.3
182.10840	2.3
183.11670	21.8
185.13226	14.3
187.14818	6.4
189.16443	1.8
193.10202	4.4
195.11678	12.1
196.12384	1.0
197.13234	18.6
199.13214	2.1
199.14859	9.5
201.16428	2.9
205.10123	1.2
207.11740	4.0
209.13251	10.9
211.14778	10.2
213.16466	6.1
215.18033	2.0
217.67462	1.3
221.13290	3.0
223.14740	7.8
225.16399	8.5
227.17986	4.1
235.14931	3.1
237.16386	5.6
239.18008	4.1
241.19650	2.2
249.16396	1.8
251.17967	3.2
253.19676	2.1
261.16269	1.3
263.18011	1.8
265.19592	2.3
267.21204	1.1
281.22919	1.1
283.20514	1.6
293.19122	1.1
293.22617	1.3
309.22284	1.2
309.25836	0.9
311.23691	2.3
313.21707	1.6
321.21942	1.1
323.23636	1.7
335.23709	1.9
337.25211	1.6
341.24545	1.1
351.26944	3.1
363.26962	2.1
365.28351	2.4
376.76801	1.0
377.28262	1.6
391.29941	2.1
398.38727	1.0
407.29520	1.2
429.31689	1.3
433.30725	1.4
435.32510	1.1
447.32501	1.9
499.39630	2.3
517.40454	14.1
535.41431	8.1
539.37677	1.8
553.42230	1.3
573.42657	1.3
578.66705	1.2
581.45313	1.3
591.44031	12.5
592.45001	1.1
609.25928	4.0
609.45062	100.0
610.45502	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	609.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07450	0.3
53.03915	0.4
55.01875	0.4
55.05510	4.1
57.03433	0.9
57.07051	0.4
63.30183	0.3
65.03950	0.6
67.05498	6.7
69.07063	3.6
71.04988	0.5
79.05484	4.5
81.07047	7.3
81.16593	0.4
83.08604	2.1
85.06562	0.4
91.05455	4.1
93.07034	5.1
95.04935	0.6
95.08600	4.7
97.06553	0.5
97.10191	0.9
98.23426	0.8
99.08137	0.4
105.07025	4.9
107.08593	3.2
109.06518	0.3
109.10133	2.5
111.08098	0.3
117.07006	2.3
118.52309	0.4
119.08563	3.8
121.10128	2.4
123.11674	0.7
125.09582	0.3
128.06244	0.7
129.06992	3.3
131.08571	3.8
133.10115	3.0
134.13466	0.3
135.11694	1.3
137.13152	0.4
141.06987	0.8
142.07793	1.1
143.08553	4.6
145.10120	3.9
147.11684	1.7
149.13280	0.8
153.06949	0.7
155.08522	3.4
157.10117	4.9
159.11681	3.2
161.13298	1.1
167.08524	1.8
168.09326	0.6
169.10092	3.5
170.10841	0.3
171.11633	3.1
171.12766	0.3
173.13245	2.3
175.14885	0.7
179.08562	0.8
180.09421	0.3
181.10075	2.3
182.10910	0.5
183.11676	4.5
185.13219	2.1
187.14886	1.3
189.16417	0.4
191.67729	0.3
193.10149	0.7
195.11716	2.8
197.13231	3.3
199.14894	1.4
201.16327	0.6
205.10182	0.4
207.11728	1.1
209.13210	2.8
211.14752	1.8
213.16426	1.2
220.12500	0.3
221.13306	0.9
223.12866	0.4
223.14719	2.0
225.10144	0.4
225.16379	1.6
227.18028	0.8
229.84407	0.3
235.14873	0.8
237.16391	1.2
239.17903	0.8
251.17842	0.5
253.19604	0.5
267.21216	0.5
281.22873	0.3
315.23389	0.4
321.18579	0.3
327.23160	0.4
335.23831	0.4
337.25241	0.6
339.22665	0.4
349.15561	0.3
351.27188	0.5
353.19159	0.3
353.24850	0.3
355.07086	0.4
374.15283	0.4
375.15656	0.6
376.16278	0.7
377.16647	0.4
378.18140	0.4
388.16791	0.5
389.17374	1.3
390.17856	1.3
391.18509	1.8
392.19211	0.7
393.19836	0.4
401.17239	0.5
402.18704	0.4
403.19193	1.3
404.14868	0.5
404.19742	2.1
405.20300	2.9
406.20892	1.9
407.21613	1.6
416.15775	0.4
417.20572	1.1
418.16351	1.5
418.21802	0.9
419.17868	2.0
419.22845	1.9
420.17783	0.7
420.23093	2.1
421.18973	0.3
421.23218	3.5
431.18164	1.7
432.18478	2.9
433.19241	5.7
434.20081	2.5
435.20886	2.5
441.28223	0.6
445.20108	1.5
446.20905	2.6
447.21161	6.9
448.21899	6.7
449.22421	5.6
458.20935	1.2
459.21637	1.2
460.23120	0.8
461.18655	0.9
461.23227	0.6
461.33951	0.3
462.19946	0.7
463.19647	1.5
464.20749	0.4
474.20074	0.7
475.20023	2.5
476.21057	4.7
477.21719	3.3
479.23663	0.6
480.24533	0.8
489.22003	0.9
490.22644	0.6
491.20782	0.7
492.20496	0.7
493.21570	1.5
499.39063	0.6
503.23526	0.7
506.22372	0.5
507.23196	0.8
517.40338	3.1
519.23907	2.2
520.24103	2.3
521.24670	11.4
522.24890	0.4
535.41669	1.3
547.23419	0.6
548.23608	0.7
549.23956	10.3
550.25201	0.7
563.25323	0.4
580.26605	0.4
581.26501	5.1
591.25806	3.7
591.43964	3.2
592.26428	0.8
609.26215	100.0
609.35431	7.2
609.44635	23.8
610.26556	6.5
610.36523	0.8
610.45380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01869	2.1
55.05255	1.6
55.05506	20.6
57.03434	5.2
57.07068	3.0
65.03940	3.1
67.05499	38.0
69.07063	17.7
69.07439	0.9
71.05005	1.1
72.89481	0.9
77.03896	0.8
79.05487	29.6
81.07050	36.7
83.04978	2.6
83.08614	7.9
85.06533	1.6
90.96329	0.9
91.05468	27.5
93.07036	26.6
95.04991	4.8
95.08601	27.6
97.06546	2.7
97.10155	4.5
99.08109	1.2
103.05466	1.4
105.04528	2.0
105.07020	26.7
107.04948	1.1
107.08585	18.7
109.06495	1.8
109.10143	10.6
111.08093	1.9
115.05461	2.7
117.07005	14.9
117.29590	0.9
119.08571	22.3
121.10143	8.7
123.08064	0.9
123.11711	2.6
125.09612	1.5
128.06224	3.9
129.06995	17.0
130.07774	1.4
131.08559	21.1
133.10120	13.9
135.11674	6.0
137.09624	0.8
137.13219	1.8
141.06984	7.0
141.09241	0.9
142.07750	4.1
143.08546	20.2
144.09355	1.3
145.10106	18.1
147.11682	9.0
149.09650	1.2
149.13293	3.0
153.06995	2.4
154.07813	3.1
154.68742	0.8
155.08536	16.3
156.09340	2.4
157.10115	16.7
159.11665	12.0
159.12743	1.0
161.13292	4.0
165.07022	1.3
166.07739	2.3
167.08556	6.6
168.09373	2.5
169.10112	19.8
170.10834	1.0
171.11685	15.7
171.13074	1.5
173.13258	8.3
175.14819	1.9
179.08591	3.3
180.09373	1.2
181.10098	8.9
182.10841	1.6
183.11667	20.8
184.12402	1.1
185.13235	10.8
187.14813	4.8
189.16376	1.2
189.45241	0.9
193.10155	3.9
195.11693	10.3
196.12518	1.5
197.13231	13.8
199.14801	7.3
201.16391	2.2
203.17986	1.8
205.10202	1.8
207.11682	3.9
209.13231	8.4
211.14787	7.1
213.16393	4.8
221.13271	3.6
222.14076	1.0
223.14807	7.0
225.16301	4.6
227.18021	2.5
235.14819	2.3
237.16489	3.5
239.17960	3.4
241.19638	1.5
247.14616	1.0
249.16397	1.4
251.18010	2.7
253.19479	2.4
257.19067	1.1
261.16388	0.9
261.22223	1.1
265.19531	1.8
267.21051	1.7
275.20108	2.7
279.20981	1.4
281.19034	1.2
281.22699	0.9
283.20560	1.6
299.19763	1.1
309.22195	1.3
311.23618	1.1
313.25531	0.9
321.22290	1.6
323.23657	2.3
325.25165	1.2
337.25314	2.6
349.25085	1.1
363.26801	1.1
365.28497	1.3
377.17462	1.3
377.28506	1.6
391.19202	1.5
391.29895	1.2
395.29773	0.9
405.20859	1.5
406.21509	1.6
407.22403	1.8
415.19019	1.6
419.22665	1.0
421.23590	1.9
422.24615	1.1
429.20718	1.7
433.20425	1.4
441.21017	1.0
444.23520	1.1
447.17780	1.3
447.32404	2.3
457.23810	1.9
459.21863	2.0
461.19772	3.6
461.33929	0.9
462.20328	1.6
463.20981	2.0
475.21375	3.2
475.35211	1.8
476.21970	3.5
477.22763	3.8
478.04309	1.0
485.23364	4.8
486.20438	1.0
489.23047	1.6
499.21378	1.2
499.39087	1.9
501.35550	1.2
503.24301	3.2
507.24036	1.0
513.22552	1.0
515.24347	3.7
515.37732	1.1
517.40430	10.6
521.25305	1.1
527.37433	1.1
531.23889	7.1
535.23401	1.3
535.41626	5.9
539.37134	1.4
549.24799	1.5
550.25928	1.5
559.23462	3.5
577.24524	1.6
591.25946	13.8
591.43860	9.6
592.26093	2.5
592.43506	1.0
609.27325	36.4
609.45044	100.0
610.27466	6.3
610.45471	8.9
615.99524	1.0
636.47839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03933	1.1
55.05513	7.7
57.03433	2.7
57.07063	1.1
65.03933	1.0
67.05505	14.1
69.07064	6.4
70.56711	1.1
71.04987	1.0
79.05487	10.6
81.07049	13.3
83.08613	3.7
85.06497	0.9
91.05466	9.3
93.07036	10.1
95.04958	1.7
95.08594	14.2
96.87590	0.6
97.06563	1.1
97.10165	2.3
105.07023	9.6
107.08567	6.2
109.10155	5.2
115.05473	1.2
117.06990	5.6
119.08565	7.9
121.10142	4.5
123.08064	1.0
123.11696	1.8
125.09644	1.0
128.06227	2.2
129.06996	6.0
130.07814	0.8
130.57979	0.6
131.08551	7.3
131.37157	0.8
133.10106	6.7
135.11716	2.8
137.13231	1.1
140.19734	0.6
141.06985	3.2
142.07816	2.0
143.08557	8.0
145.10100	6.6
147.11665	3.3
149.13301	2.1
149.14639	0.6
154.07764	0.9
155.08536	5.1
157.10114	6.6
159.11714	5.0
161.13281	2.3
163.14786	0.9
166.07770	0.8
167.07349	0.6
167.08601	2.8
168.09326	1.1
169.10101	8.1
169.11273	0.7
170.10985	0.7
171.11673	6.8
173.13232	4.5
175.14841	2.0
176.71729	0.7
181.10094	4.3
182.10918	1.7
183.11656	6.0
185.13202	4.5
187.14836	2.1
189.16394	1.8
193.10246	1.2
195.11636	5.0
196.12527	0.8
197.13235	6.6
198.13785	0.8
199.13254	1.0
199.14807	4.8
201.16449	1.5
207.11662	1.1
209.13243	3.3
211.14809	3.5
213.16362	2.1
215.18150	0.9
219.11697	0.8
221.13287	1.9
223.14851	3.0
225.16417	2.3
227.18036	1.6
235.14891	1.3
237.16431	2.5
239.18060	2.6
241.19766	1.6
249.16423	0.9
251.18109	0.9
257.18961	0.8
265.19528	1.6
275.20187	1.6
277.19385	0.7
295.20349	0.7
297.22180	1.5
301.21802	0.7
323.23499	1.0
327.23264	0.8
337.25269	1.6
339.27170	1.0
341.24805	0.8
351.26797	1.7
379.26099	0.9
407.28754	1.0
435.32162	0.8
447.32376	1.4
449.34140	1.4
461.34140	1.2
499.39450	2.1
501.35828	1.1
517.40454	9.9
518.40674	0.8
527.37506	0.9
531.23615	0.8
535.41736	4.8
539.37195	1.9
540.37622	1.3
573.43207	1.5
591.25928	1.0
591.43689	7.2
609.27576	2.9
609.45081	100.0
610.45435	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	610.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01869	4.5
55.05505	5.1
57.03434	12.2
61.02910	4.3
67.05494	1.7
69.03421	8.4
71.01337	3.8
71.04991	22.5
73.02910	4.6
73.04756	2.9
75.04471	8.4
81.03407	3.2
83.04978	33.1
85.02902	100.0
86.03209	2.3
87.04475	3.6
91.05382	8.1
95.04955	5.5
97.02882	7.7
97.06483	1.4
99.04464	4.4
101.02381	1.4
101.06026	1.8
103.03915	4.0
107.04975	1.5
108.45642	1.4
108.77671	1.3
109.02889	3.0
111.04436	35.6
113.02366	26.2
119.04925	6.3
121.06478	2.3
123.04410	2.1
125.06037	1.4
127.03901	4.2
129.05476	19.2
131.03403	43.2
137.05971	71.0
139.03888	4.3
141.05487	1.5
143.03426	4.7
145.04950	3.4
147.06514	17.9
149.06003	3.7
151.07526	3.0
153.05434	2.4
155.07037	9.6
157.04942	13.4
161.05986	1.9
165.05463	6.9
167.07042	2.1
169.04942	2.5
173.04480	1.4
175.06033	5.7
175.07513	1.4
177.05528	2.9
179.07014	5.0
183.06537	2.8
184.47353	1.3
195.06564	2.7
197.04466	4.7
197.08257	1.6
203.06981	2.4
213.07590	10.6
215.05511	7.9
221.08083	2.5
225.04297	1.3
241.07051	15.7
245.08092	1.6
247.09567	4.0
259.08109	23.1
263.09207	4.0
265.10754	2.3
275.40353	1.3
277.09149	10.6
281.10141	1.9
285.01007	2.9
299.11282	1.6
311.11172	1.3
317.12231	2.1
355.07050	2.6
455.62698	1.4
473.83234	1.5
487.30710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
55.05499	4.8
65.58643	2.0
67.05496	6.0
69.03429	8.2
69.07045	12.3
69.19115	14.6
71.04986	6.7
71.97471	2.2
73.04746	3.1
79.05477	14.6
81.03418	4.9
81.07052	18.4
83.04511	4.1
83.04971	32.8
85.02887	14.8
85.06543	5.5
91.05431	13.6
93.07042	27.4
95.04970	14.4
97.02892	44.9
97.06530	27.3
99.04436	6.5
105.07021	33.6
107.04948	8.1
107.08587	18.3
107.86272	2.7
109.02888	3.2
109.06512	31.6
111.08124	5.4
115.05473	2.6
117.07005	9.0
119.03380	3.2
119.04915	16.1
119.08559	7.5
121.06500	27.3
121.10133	2.8
125.05972	47.7
127.03953	3.2
127.07539	7.8
128.06223	2.6
131.08578	10.2
133.06480	6.5
133.10159	3.9
135.04395	2.9
135.11710	6.6
137.05974	8.8
139.07538	16.3
143.07025	36.5
143.08549	4.7
144.09296	4.6
145.04906	3.5
145.06474	5.2
145.10103	69.0
147.11678	6.8
147.35323	2.5
149.06044	3.0
151.07527	9.3
157.08609	19.9
158.07321	4.4
159.08022	7.2
159.11685	34.5
161.13258	3.3
161.75810	2.8
163.11172	50.4
169.10139	11.1
172.08836	3.6
173.08139	4.8
173.09584	38.0
177.12733	9.5
179.08530	3.1
187.04057	2.3
187.11150	49.5
187.12674	3.8
189.12700	2.9
191.10645	24.3
197.09615	10.4
205.12196	61.8
209.11642	4.2
215.10643	74.0
223.13324	16.6
233.09334	5.3
233.11693	100.0
234.12085	3.3
251.12756	94.7
264.15421	2.2
269.13797	81.7
285.00815	3.5
287.05222	3.3
303.04922	29.7
304.05270	4.7
355.06976	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96369	0.8
53.03934	1.3
55.01881	2.0
55.05500	3.0
57.03427	2.7
61.02911	2.0
66.14616	0.7
67.05492	3.5
69.03423	4.3
69.07058	6.5
69.10674	5.9
71.00350	0.9
71.04985	13.6
73.06553	0.7
79.05470	9.6
81.03422	1.5
81.07036	5.5
83.04973	14.3
85.02407	1.5
85.02899	17.9
91.03957	0.9
91.05470	6.4
93.07043	11.1
95.04971	4.8
95.08589	3.0
97.02891	4.2
97.06528	12.4
99.04433	3.8
105.07030	17.8
107.04957	9.3
107.08589	10.9
109.02869	1.5
109.06496	5.3
111.08064	1.4
113.05962	0.8
115.05489	1.0
117.07006	4.3
119.04924	2.7
119.06162	0.8
119.08593	3.9
121.02862	1.5
121.06506	12.8
121.10135	2.7
123.08009	0.8
125.05988	24.4
127.03831	2.0
129.05469	2.9
129.06958	1.7
130.07808	2.0
131.08533	3.3
133.06482	3.6
133.10158	1.0
135.08026	2.2
135.11681	2.6
137.02339	2.7
137.05945	1.9
139.07532	3.1
141.06987	1.1
141.16026	0.7
143.05966	1.4
143.07031	22.7
143.08220	1.5
144.09183	0.9
145.04941	2.9
145.06432	2.4
145.10114	33.9
147.06534	1.3
147.08026	1.2
147.11667	5.1
149.05884	0.8
151.07561	4.4
153.01819	2.9
154.73851	0.8
155.08534	1.1
157.10262	0.9
158.07298	2.0
159.08020	3.0
159.11700	11.2
161.09570	1.0
161.13188	1.0
163.06021	1.4
163.11168	83.9
164.11542	2.1
169.10130	3.1
171.11722	1.2
172.08769	1.2
173.09608	24.9
177.12737	3.1
177.14153	0.8
181.12306	1.0
187.11160	18.4
189.12723	2.5
191.10638	15.3
197.09622	3.1
201.05444	1.3
205.12227	16.1
209.11722	3.6
215.10677	19.3
229.05009	4.9
233.11710	56.5
234.11969	1.5
251.12799	15.3
252.13052	0.9
257.04324	2.2
269.13818	12.2
280.81680	0.8
303.04956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96369	0.8
53.03934	1.3
55.01881	2.0
55.05500	3.0
57.03427	2.7
61.02911	2.0
66.14616	0.7
67.05492	3.5
69.03423	4.3
69.07058	6.5
69.10674	5.9
71.00350	0.9
71.04985	13.6
73.06553	0.7
79.05470	9.6
81.03422	1.5
81.07036	5.5
83.04973	14.3
85.02407	1.5
85.02899	17.9
91.03957	0.9
91.05470	6.4
93.07043	11.1
95.04971	4.8
95.08589	3.0
97.02891	4.2
97.06528	12.4
99.04433	3.8
105.07030	17.8
107.04957	9.3
107.08589	10.9
109.02869	1.5
109.06496	5.3
111.08064	1.4
113.05962	0.8
115.05489	1.0
117.07006	4.3
119.04924	2.7
119.06162	0.8
119.08593	3.9
121.02862	1.5
121.06506	12.8
121.10135	2.7
123.08009	0.8
125.05988	24.4
127.03831	2.0
129.05469	2.9
129.06958	1.7
130.07808	2.0
131.08533	3.3
133.06482	3.6
133.10158	1.0
135.08026	2.2
135.11681	2.6
137.02339	2.7
137.05945	1.9
139.07532	3.1
141.06987	1.1
141.16026	0.7
143.05966	1.4
143.07031	22.7
143.08220	1.5
144.09183	0.9
145.04941	2.9
145.06432	2.4
145.10114	33.9
147.06534	1.3
147.08026	1.2
147.11667	5.1
149.05884	0.8
151.07561	4.4
153.01819	2.9
154.73851	0.8
155.08534	1.1
157.10262	0.9
158.07298	2.0
159.08020	3.0
159.11700	11.2
161.09570	1.0
161.13188	1.0
163.06021	1.4
163.11168	83.9
164.11542	2.1
169.10130	3.1
171.11722	1.2
172.08769	1.2
173.09608	24.9
177.12737	3.1
177.14153	0.8
181.12306	1.0
187.11160	18.4
189.12723	2.5
191.10638	15.3
197.09622	3.1
201.05444	1.3
205.12227	16.1
209.11722	3.6
215.10677	19.3
229.05009	4.9
233.11710	56.5
234.11969	1.5
251.12799	15.3
252.13052	0.9
257.04324	2.2
269.13818	12.2
280.81680	0.8
303.04956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01853	0.4
55.05489	0.3
57.03436	1.8
61.02918	0.8
65.93076	0.2
68.99777	0.5
69.03411	1.1
69.89789	0.8
71.04989	11.4
73.02911	0.3
74.63151	0.2
75.04488	0.5
76.19999	0.2
81.03415	0.7
83.04958	0.9
83.43124	0.2
85.02898	15.6
87.04451	0.5
91.03948	0.4
91.05779	0.3
97.02879	1.3
109.02859	0.7
111.00780	0.8
111.04432	0.5
121.02822	0.7
127.03880	1.0
129.05452	3.0
137.02319	2.5
145.04976	1.2
147.06442	0.7
149.02318	0.3
153.01802	2.7
163.03915	0.6
165.01817	1.5
173.05969	0.4
183.02875	0.8
201.05478	1.2
205.05026	0.4
229.04953	3.2
247.06044	0.5
257.04410	2.0
274.04849	0.4
285.03979	1.1
287.05536	0.3
303.04959	100.0
304.05264	3.2
356.07147	0.3
465.10352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03928	0.4
54.04831	0.3
55.01868	0.4
57.03437	2.1
59.04986	0.3
60.20986	0.3
60.21661	0.3
61.02919	1.8
65.03931	0.4
68.99794	0.8
69.03415	0.6
69.07055	0.6
71.04990	10.9
71.05816	0.6
73.02901	0.4
75.04463	0.4
79.05499	1.1
81.07048	0.6
83.04967	1.4
85.02901	14.9
87.04453	0.5
87.62701	0.3
91.03951	0.7
91.05453	0.5
93.07049	0.7
94.07359	0.3
95.04955	0.6
97.02889	1.6
97.06511	0.7
105.06088	0.3
105.07011	1.4
106.07344	0.4
107.03056	0.3
107.04939	0.9
107.08581	1.3
109.02870	0.5
109.06525	0.4
111.00785	1.0
111.04425	0.5
117.40189	0.4
121.02861	0.7
121.06496	1.3
125.05977	1.9
126.06293	0.5
127.03945	0.8
129.05464	3.6
133.90190	0.3
137.02303	2.6
143.07053	2.2
144.07367	0.4
145.06448	0.5
145.10118	2.1
146.10439	0.9
147.06500	1.1
149.02341	0.5
153.01831	3.6
159.11638	0.9
163.03908	0.5
163.11168	5.8
164.11528	2.7
165.01831	2.4
173.09616	1.7
174.10002	1.1
183.02867	0.9
187.03906	0.5
187.11150	0.9
188.11607	0.7
189.12735	0.6
191.10687	1.1
192.10965	0.5
201.05484	1.4
205.12228	1.1
206.12589	0.5
215.10654	1.0
216.11078	0.8
229.04965	3.8
233.11708	3.8
234.12041	3.0
251.12823	1.2
252.13040	0.5
257.04498	2.7
269.13870	0.7
270.14090	0.8
274.04657	0.6
285.03906	1.4
303.04968	100.0
304.05328	2.8
345.06125	0.7
369.05945	0.3
465.10126	0.7
626.86365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17685	0.2
53.45710	0.2
54.28028	0.2
55.01860	0.4
55.05484	0.3
57.03431	2.2
61.02909	0.7
68.99786	0.6
69.03426	1.2
70.06580	0.5
71.01337	0.2
71.04990	10.1
73.02901	0.5
73.04729	0.3
75.04464	0.7
77.55236	0.2
81.03401	0.7
83.04958	0.8
85.02900	16.1
87.04448	0.5
91.03918	0.2
91.05830	0.2
93.03372	0.2
95.04961	0.3
97.02892	1.6
99.04466	0.4
109.02875	0.8
111.00799	0.5
111.04430	0.6
121.02854	0.7
123.04443	0.4
127.03915	1.2
129.05475	3.8
135.04486	0.2
137.02339	2.6
145.04993	0.8
147.06471	0.9
147.34796	0.2
149.02310	0.4
153.01826	3.1
155.04857	0.2
161.06001	0.2
163.03876	0.5
165.01797	1.6
167.05443	0.2
173.05989	0.4
183.02896	0.7
187.03899	0.3
191.03448	0.2
195.02805	0.2
201.05525	1.3
205.05038	0.2
219.02820	0.2
229.04962	3.8
247.06009	0.6
257.04431	2.5
257.06931	0.3
274.04681	0.6
285.03857	1.2
287.05527	0.4
303.04959	100.0
304.05310	3.8
307.49619	0.2
315.04968	0.7
327.04907	0.3
336.34830	0.2
345.05829	0.8
356.07028	0.3
387.10248	0.2
449.10361	0.3
465.10211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03938	0.2
55.01859	0.3
57.03428	0.4
61.02933	0.8
68.99788	0.4
69.03419	1.8
69.81531	0.3
69.81930	0.3
70.06579	0.3
71.04980	0.3
73.02909	0.3
73.04764	0.2
81.03407	1.3
83.01319	0.2
85.02901	5.5
86.09717	0.2
87.04488	0.2
91.03957	0.2
91.05785	0.5
95.04993	0.3
97.02885	2.1
99.04411	0.3
105.03368	0.4
107.04920	0.4
109.02878	0.6
111.00809	0.6
121.02863	2.1
127.03918	1.1
130.04970	0.4
133.02870	0.4
137.02316	0.7
145.04976	1.0
145.06631	0.2
147.04393	0.5
147.07654	0.4
153.01814	2.5
157.06526	0.3
165.01845	1.2
166.10129	0.2
171.04489	0.3
177.05479	0.2
183.02902	0.8
185.05907	0.3
193.02847	0.2
193.12215	0.2
213.05469	1.0
229.04950	0.2
231.06500	0.5
241.04802	0.8
258.05267	1.1
259.05972	0.5
265.76398	0.2
286.04691	0.2
287.05478	100.0
288.05795	2.8
303.05011	0.3
325.10315	0.2
355.06943	0.3
356.06970	0.3
449.04697	0.3
449.10794	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	611.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
59.50550	0.8
61.62177	0.8
67.05492	3.4
69.07054	1.5
69.54948	2.8
73.04745	2.0
79.05482	2.6
81.07058	2.7
83.08614	1.0
91.05799	2.9
93.07030	2.7
95.01335	0.9
95.08576	2.0
105.07045	2.2
107.08572	1.3
109.10133	1.4
117.07019	1.0
119.08607	1.0
145.10120	2.0
147.04362	1.5
167.05597	1.5
169.97565	0.8
173.13356	0.9
239.09581	1.0
303.04999	1.6
324.25977	0.9
355.07019	1.8
356.07138	2.0
377.17538	1.7
378.18124	1.1
385.00912	0.9
391.19153	7.1
392.20032	5.2
393.20724	2.5
404.19788	1.1
405.20624	7.7
406.21432	7.7
407.22372	6.8
419.22504	3.0
420.22937	2.8
421.18021	1.8
421.23825	25.3
422.24612	2.8
433.23688	2.3
434.24393	1.7
435.18384	3.2
435.25458	2.7
436.18777	1.5
437.19391	1.1
447.21408	1.4
449.19617	1.6
450.20410	3.1
451.21274	9.4
459.21365	1.0
461.23291	1.1
463.21240	1.4
464.22055	1.3
465.22806	30.3
466.23389	3.3
477.22925	1.3
478.23752	1.2
479.24377	10.2
480.24673	1.4
493.25812	4.5
494.26776	6.7
523.23267	6.6
533.23187	1.0
537.25037	3.4
538.25677	13.1
539.25409	1.4
551.26221	3.2
565.27789	4.4
567.29486	14.3
593.24127	2.5
610.45728	1.9
611.28516	100.0
612.29169	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.02225	0.9
53.03942	2.7
55.01867	2.6
55.05508	28.9
57.03435	11.2
57.07073	4.2
65.03941	3.3
66.55383	0.9
67.05502	74.8
67.66973	1.1
69.07065	29.5
70.69618	2.4
71.04981	3.3
71.08637	1.5
77.03924	2.5
79.05487	54.6
81.07052	76.5
83.04979	3.1
83.08613	15.0
85.06548	3.0
91.05470	48.0
93.07039	60.4
95.04969	8.6
95.08601	64.2
96.08942	0.9
97.06518	4.9
97.10157	6.7
99.08109	1.7
103.05489	1.2
105.04530	3.2
105.07024	51.8
105.07735	2.5
107.08589	37.6
109.06519	3.3
109.10154	27.9
111.08075	3.9
115.05483	2.8
117.07014	23.5
119.08575	47.7
119.97224	1.1
121.10135	29.5
121.10979	1.9
123.08065	2.2
123.11698	8.7
125.09655	2.0
128.06235	4.0
129.07001	14.8
130.07761	2.0
131.08554	38.6
133.10127	37.9
135.11687	20.3
137.06017	1.1
137.09607	1.8
137.13271	2.7
139.11136	1.2
141.06969	5.3
142.07782	3.7
143.08554	21.6
143.09613	1.3
144.09322	1.9
145.10114	39.5
147.11682	28.0
149.09647	1.1
149.13235	12.4
153.07079	1.0
155.08565	9.9
156.09306	1.5
157.10124	23.0
157.11404	1.6
159.11687	33.0
161.13261	17.1
163.14842	3.5
167.08592	3.0
168.09467	1.8
169.10155	11.2
171.11690	22.4
173.13266	20.1
175.11214	1.3
175.14803	8.6
177.12776	1.2
177.16386	1.8
181.10107	5.1
183.11681	14.4
185.13245	18.5
187.11079	1.3
187.14833	9.3
189.16389	3.2
193.10194	1.4
193.41740	1.2
195.11714	4.7
197.13228	11.2
199.14775	10.1
201.16377	4.5
203.18164	1.8
207.11681	1.1
209.13336	5.0
211.14738	5.3
213.16350	8.0
215.17862	2.2
217.19496	2.2
220.17766	1.1
223.14906	3.1
225.16473	3.8
227.17958	3.2
229.19571	2.7
231.21144	2.0
233.19040	1.2
235.14819	1.1
237.16403	3.2
239.17993	4.0
241.19646	9.4
243.21147	2.9
251.17984	1.8
253.19554	2.7
257.19022	5.1
259.20578	18.6
261.22098	4.9
271.20441	1.2
273.22122	1.3
285.22098	1.8
297.21967	1.9
299.23721	1.7
302.06287	1.1
313.25385	1.8
315.23337	1.9
325.25244	2.0
327.26642	1.4
333.24203	9.4
335.25772	14.3
337.27341	1.3
339.26886	1.5
351.26910	1.6
353.28174	1.7
367.30017	1.6
369.27676	1.5
449.33923	1.3
503.37341	1.7
519.41943	7.3
537.43427	4.9
541.38928	2.6
593.45685	8.4
611.46661	100.0
612.47003	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.0
52.59647	0.8
53.03949	4.3
55.01873	2.8
55.05511	35.6
56.24640	1.0
57.03443	11.9
57.07084	5.1
59.05022	0.9
65.03944	3.5
66.04716	0.8
66.92302	0.8
67.05505	86.2
69.07072	28.3
69.09301	5.2
69.09717	1.2
71.04996	3.8
71.08638	1.2
77.03947	1.9
79.05494	69.1
81.07058	83.7
83.05009	2.6
83.08624	11.4
85.06545	3.3
91.05479	59.8
93.07047	70.0
94.07408	2.0
95.04971	11.2
95.08609	60.8
97.06522	6.7
97.10154	5.8
98.22712	2.1
99.08086	2.2
103.05493	1.3
105.04539	4.8
105.07030	60.3
107.08592	37.8
109.06551	3.3
109.10155	22.8
109.10886	1.3
111.08094	2.8
115.05473	4.0
116.06271	1.9
117.07021	28.6
119.08586	45.6
121.06490	1.3
121.10146	28.4
123.08090	2.5
123.11697	7.0
125.08550	0.9
125.09651	1.5
128.06194	5.3
129.07002	17.8
130.07802	2.5
131.08572	41.3
133.10130	35.6
135.08012	1.8
135.11697	18.2
137.06017	1.4
137.09702	1.1
137.13237	2.2
139.11255	1.6
141.06982	6.7
142.07806	5.7
143.08562	26.5
144.09370	1.3
145.10121	39.6
147.11693	28.3
149.09604	1.1
149.13263	10.0
151.45618	1.2
153.07021	1.2
155.08543	9.5
156.09315	1.7
157.10129	22.7
157.11377	1.2
158.10820	1.2
159.11690	28.8
161.13255	16.7
163.11246	1.6
163.14754	4.4
167.08618	3.0
168.09357	1.6
169.10107	12.9
170.10973	1.7
171.11685	24.0
172.12424	1.2
173.13248	18.2
175.11224	1.3
175.14851	8.3
177.16435	1.6
179.08604	1.1
181.10162	6.3
182.10973	1.3
183.11685	9.8
184.12483	1.0
185.13266	15.0
187.14809	11.4
189.16443	3.0
193.10173	1.5
195.11700	5.3
197.13240	9.0
199.14854	11.2
201.12798	0.9
201.16437	6.4
203.14372	1.0
207.11656	1.1
209.13213	4.7
211.14789	6.1
213.16432	7.3
215.17958	3.1
217.19556	1.7
223.14873	3.3
225.16447	3.9
227.18063	2.9
229.19525	2.2
231.17500	1.0
231.21205	2.0
237.16512	1.9
239.17973	4.1
241.19601	9.4
243.21121	2.1
249.16492	1.0
251.17899	1.3
255.21252	1.4
257.19037	5.7
259.20560	19.2
259.23169	1.5
261.22098	5.0
263.17984	1.1
267.21313	1.1
273.22189	1.3
283.20386	1.5
283.24301	1.1
287.20233	1.0
297.22250	1.5
299.23587	1.3
309.22272	1.2
311.23822	1.7
313.25369	1.4
315.23389	1.3
317.24985	1.1
323.23871	1.1
325.09772	1.0
331.22675	1.4
333.24216	11.5
335.25787	19.9
335.29544	1.4
339.27063	1.8
353.28604	2.1
365.28497	1.1
367.26044	1.2
367.30090	1.6
397.30640	1.3
435.32672	1.1
449.34155	1.3
475.34198	1.1
501.41779	1.4
519.41907	6.8
523.37842	1.4
527.36920	1.1
529.38770	1.2
537.42914	4.4
541.39240	2.9
593.45648	7.9
611.46680	100.0
612.46594	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01849	0.8
55.05511	11.6
57.03439	3.2
57.07076	3.0
65.03952	1.2
67.05504	22.0
69.07069	10.9
69.13616	0.6
71.04575	0.6
71.04993	2.0
71.08633	0.9
73.04762	0.9
75.50536	0.6
79.05486	16.7
81.07055	24.4
83.04980	1.0
83.08623	6.4
83.85548	0.6
85.06553	1.0
91.05472	12.9
93.07046	16.6
93.07603	1.2
95.04958	2.6
95.08605	20.3
97.06552	2.1
97.10171	3.5
99.08112	1.0
103.85146	0.6
105.07029	15.1
107.08601	9.5
109.06530	1.0
109.10143	9.4
111.11741	0.8
115.05444	0.7
117.07022	9.7
119.08582	11.9
121.10145	7.7
123.11741	2.5
125.09630	1.4
128.06242	1.9
129.07004	7.1
130.07829	0.9
131.08571	14.4
133.10143	9.4
135.11685	4.6
137.13266	0.8
141.07007	3.0
141.16832	0.6
142.07744	1.0
143.08562	12.4
144.09329	0.8
145.10126	13.0
147.11679	5.5
149.13315	1.9
154.07710	0.8
155.08553	6.1
156.09373	1.6
157.10133	9.8
159.11690	8.7
161.13280	3.2
163.11241	0.7
163.14923	1.3
167.08592	2.1
169.10152	6.9
171.11700	8.4
173.13263	6.7
175.14810	1.7
177.16396	1.2
179.14323	0.9
181.10161	2.9
183.11659	6.5
185.13249	7.3
187.14821	4.2
189.16524	1.5
191.18018	0.9
195.11690	3.2
197.13239	5.3
199.14848	4.9
201.16434	2.2
203.14368	0.7
203.17969	1.0
207.11621	0.7
209.13295	2.1
211.14789	3.3
213.16508	2.6
215.18005	1.4
221.13303	1.0
223.14816	2.1
225.16408	2.1
227.18037	2.2
229.19533	1.8
237.16397	0.7
239.18111	2.3
241.19603	2.3
243.21208	1.2
249.16496	1.0
250.12367	0.6
251.17952	0.7
253.19597	1.3
255.21251	1.5
257.19122	1.3
257.22739	0.9
259.20667	0.9
265.19757	0.9
267.21268	1.5
275.20090	2.0
277.21799	1.3
295.24237	1.0
301.21326	0.7
311.23819	1.4
325.25192	0.9
327.23233	1.0
337.25049	0.7
351.27213	0.9
353.28461	1.0
367.30087	0.8
407.33374	0.8
409.31268	1.0
435.32364	0.9
449.34366	1.3
451.35873	1.0
499.34445	0.8
501.41129	2.1
513.35559	1.3
519.41968	8.7
537.43091	5.7
541.38776	1.5
575.44989	1.0
593.45557	10.1
611.46692	100.0
612.46667	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	611.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	25.3
57.03429	11.7
57.07072	6.4
59.06662	2.4
60.67164	3.0
65.03938	3.6
66.34752	2.3
67.05159	5.8
67.05500	73.3
69.07072	31.6
69.10687	21.2
71.04970	2.8
79.05486	41.4
80.95506	2.7
81.07056	75.0
83.08611	11.4
83.33140	3.2
91.05452	43.8
93.07043	52.1
95.04985	8.6
95.08601	49.7
95.40875	2.5
97.06520	3.0
97.10156	5.1
98.23457	4.3
105.04523	4.7
105.07024	46.0
107.08595	29.6
107.78551	2.7
109.10139	18.9
111.08076	3.8
117.07011	22.5
119.08575	38.2
121.10133	24.7
123.11724	4.5
128.06233	4.9
129.07018	12.3
131.08565	38.1
131.09464	3.6
133.10120	32.6
134.10512	2.7
135.11665	17.8
137.13196	3.1
141.07019	8.2
142.07819	4.7
143.08557	21.8
145.10115	26.1
147.11679	25.3
149.13266	7.1
155.08604	8.1
157.10147	21.6
159.11687	22.2
161.13295	16.3
163.14899	4.0
166.65430	2.5
169.10168	11.4
171.11646	18.2
173.13214	16.5
175.14862	10.0
181.10165	4.3
183.11700	10.9
184.12567	3.1
185.13191	13.9
187.14851	7.4
193.10175	3.7
195.11884	4.1
197.13223	6.5
199.14914	9.9
201.16441	5.1
211.14825	5.9
213.16505	4.5
225.16544	3.0
229.19452	3.0
239.09619	3.3
239.18002	3.3
241.19594	8.8
254.18202	2.6
257.19144	3.5
259.20612	17.6
261.22147	4.5
279.20828	2.6
299.06262	2.8
333.24106	13.7
335.25687	16.1
356.07242	2.8
393.20169	3.3
463.20282	5.0
477.21829	4.7
478.23013	5.7
487.24164	5.9
491.23331	4.5
517.25165	11.2
519.42004	10.9
533.24011	13.2
537.43097	3.2
561.24170	5.3
593.26868	13.8
593.45306	8.3
611.27686	55.6
611.46625	100.0
612.27814	3.4
612.46692	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	612.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01868	8.2
55.05509	1.0
56.07473	0.8
57.03431	7.5
61.02926	7.0
67.05499	1.7
68.40838	0.9
68.99795	4.5
69.03429	35.9
71.01353	1.3
71.04984	10.5
73.02917	7.3
78.91125	0.8
79.05487	1.9
81.03416	37.9
83.01352	1.4
84.75011	1.0
85.02901	100.0
87.00823	33.0
91.03973	1.9
91.05437	8.5
93.07044	20.5
95.04973	7.5
96.68602	0.9
97.02892	28.5
97.06525	3.5
99.04456	17.8
100.21842	1.0
101.02402	1.5
102.88121	0.9
103.05460	1.7
105.01865	38.0
105.04508	1.4
107.04948	1.3
109.02876	33.9
109.06526	3.0
111.04430	3.5
111.08077	4.5
115.03917	1.6
117.01852	3.4
121.06499	22.5
123.04403	6.7
125.06010	1.1
127.03911	72.5
128.04285	1.1
129.01852	3.8
131.04971	1.2
139.07544	6.5
145.04956	35.5
146.69720	0.9
147.02890	2.5
149.05980	15.3
159.02884	15.9
159.70644	1.1
165.05499	1.0
167.07028	41.2
185.08115	2.9
189.03943	3.9
191.07170	1.6
213.03888	6.5
231.04979	23.1
249.06094	4.0
355.06946	1.0
379.10074	6.2
397.11310	2.0
415.12262	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
55.01870	1.3
57.03427	1.1
65.03934	2.7
67.05495	2.4
69.03419	2.9
69.07069	1.9
69.24582	5.4
69.86465	1.0
70.06579	2.9
71.04987	2.0
78.38895	1.2
79.05507	1.4
80.61257	1.1
81.07045	2.4
83.04969	1.2
85.02900	6.4
89.03929	3.1
93.03391	5.0
93.07056	2.5
95.04974	1.7
95.08576	1.5
97.02883	100.0
97.06496	1.5
98.03224	2.3
105.06987	1.5
107.04924	1.9
107.08634	1.2
117.03368	3.9
121.02849	1.9
121.06499	1.9
123.11712	2.1
125.06012	2.0
127.03969	1.9
129.06993	6.9
135.04396	9.8
136.71606	1.3
137.02318	3.3
139.03804	1.3
139.07440	1.4
141.06941	2.4
145.02829	8.9
145.10178	2.1
147.11676	2.2
149.02272	6.0
157.06497	6.0
157.08569	1.3
163.03888	82.5
164.04239	3.0
167.03391	22.9
169.12271	1.6
173.06006	2.3
174.06805	2.0
175.07527	15.1
185.05972	10.6
187.11232	1.3
201.05502	2.8
203.06984	6.7
213.05421	7.0
215.10706	1.4
231.06526	15.5
233.11688	1.4
235.13353	1.8
253.14223	3.3
259.05933	4.6
277.07028	57.1
278.07291	1.5
288.05829	1.5
295.08032	8.8
303.04993	10.1
304.05255	12.5
415.15979	1.5
445.84250	1.2
510.99179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05220	1.2
55.01873	2.7
55.05503	4.4
57.03431	15.6
61.02927	6.1
67.05485	1.5
69.03426	27.7
70.62614	2.8
71.01361	3.3
71.04990	40.8
73.02911	46.4
75.04472	6.7
81.03411	3.0
83.04983	23.6
85.02899	100.0
87.04479	4.7
91.05508	1.7
95.04998	1.9
97.02880	25.0
97.03471	1.9
99.04453	2.7
101.06033	1.5
101.35677	1.5
103.03954	3.9
107.75517	1.4
111.04428	14.1
113.02362	3.2
113.06024	2.3
115.03918	27.3
123.04468	2.1
127.03931	5.4
129.05470	42.6
133.04965	13.4
137.05972	19.1
139.03909	6.1
143.04948	1.8
145.04926	1.9
147.05360	1.9
147.06509	32.7
149.05934	2.3
151.07527	4.2
153.05414	2.4
155.07027	4.3
157.04950	1.9
161.05930	4.0
165.05463	3.3
165.07573	2.3
167.07047	2.6
169.04999	4.2
171.06540	2.3
179.07037	9.4
189.05399	1.7
197.08026	1.9
203.07040	3.0
221.08093	3.0
225.07544	17.2
233.08136	1.8
237.07616	1.8
243.06313	2.0
243.08627	14.0
247.09641	5.9
251.09048	3.2
259.08136	2.5
261.09705	5.0
263.09042	2.2
265.10742	5.0
273.09616	3.7
279.10773	19.3
281.10309	1.4
283.11728	2.6
287.11218	2.1
309.11618	7.7
465.18570	1.4
548.05145	1.6
590.38574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01876	4.6
55.05491	1.2
57.03437	5.9
59.05001	2.2
59.89055	1.2
61.02931	5.7
67.05499	1.9
68.99770	2.1
69.03426	23.7
69.16471	4.5
69.16881	4.3
71.01362	1.6
71.04997	6.0
73.02916	4.2
75.04479	3.3
79.05483	8.2
81.03411	19.3
81.07052	13.4
83.04959	2.0
83.50287	1.1
85.02902	63.1
87.00829	26.6
91.05468	8.5
93.07041	37.7
95.04963	4.5
95.08609	7.6
97.02890	31.3
97.03489	2.1
97.06542	1.8
99.04470	9.8
105.01864	41.3
105.07016	10.3
107.08584	11.9
109.02877	41.6
109.06551	2.8
111.04437	1.6
111.08087	2.0
115.03917	1.2
119.08596	5.5
121.06522	3.4
121.10142	100.0
122.10487	1.4
123.08098	2.3
123.11698	11.4
125.05981	4.5
127.03908	49.2
129.01866	4.4
129.05453	2.0
131.08588	3.8
133.10069	1.7
139.11189	5.9
145.04955	20.4
145.10164	1.6
147.02954	1.3
147.08029	2.5
149.09608	40.1
159.02901	6.6
163.11171	1.8
167.10674	41.3
191.07027	2.1
191.10735	2.0
211.11171	1.7
213.03981	9.4
215.10785	1.7
229.12231	3.4
231.04985	20.3
233.93474	1.4
249.06029	10.1
257.11783	5.4
275.12781	4.9
303.04938	13.2
304.05313	17.5
311.15002	1.5
333.13309	1.7
343.07495	1.3
361.12927	2.5
369.15320	1.4
379.13815	6.4
393.10471	1.4
397.14948	27.5
415.16006	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01861	3.6
55.05501	0.9
57.03424	2.8
58.50030	0.9
61.02908	3.5
66.28330	0.9
67.05493	2.2
68.99773	1.2
69.03423	15.6
69.41521	4.7
70.06576	1.6
71.04968	4.8
72.08147	0.9
73.02914	2.5
79.05481	2.8
81.03407	12.2
81.07055	6.3
83.04967	2.1
85.02898	37.1
86.09657	1.1
87.00825	15.8
87.04443	1.4
89.66946	0.8
91.03970	1.9
91.05431	7.4
91.63126	0.8
93.07040	15.6
95.04974	4.9
95.08606	9.3
97.02887	15.2
97.06501	1.7
99.04430	6.3
100.63463	1.0
103.03948	1.1
103.05399	1.0
105.01857	20.7
105.07016	6.3
107.04869	0.9
107.08594	7.1
109.02869	10.6
109.06493	3.9
109.10149	2.5
111.04440	1.5
115.03909	2.2
117.01858	1.4
117.13342	0.9
119.08561	3.5
121.06499	3.2
121.10129	10.4
123.07428	0.8
123.08083	10.2
123.11666	1.6
124.60654	0.9
127.03905	24.7
129.01810	2.5
131.08548	12.9
133.06483	3.5
133.10088	3.0
134.07227	1.3
135.08043	1.5
145.04941	10.1
145.10109	5.5
147.08047	3.3
149.09607	50.3
150.09778	0.9
151.07498	2.0
151.11134	5.8
159.02876	5.7
159.08002	2.9
161.09578	2.6
163.06021	0.9
163.07452	1.0
163.11176	2.5
164.08334	1.1
165.09103	100.0
166.09390	1.8
166.70380	1.0
167.10666	14.0
173.09622	1.1
179.10704	1.8
189.04012	1.8
191.10660	4.1
209.11731	1.3
211.11203	2.0
219.05038	1.7
229.12251	1.5
231.04933	7.3
233.11765	2.1
249.06068	2.9
257.11697	4.1
275.12689	4.4
287.05463	1.3
288.05740	2.5
293.13742	2.6
311.14948	1.8
357.06802	1.1
361.12741	1.9
379.13898	9.0
397.14902	15.2
519.22168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	1.1
57.07053	1.3
59.35484	0.5
67.05488	1.2
69.52975	3.1
71.08615	1.0
73.80965	0.5
81.07035	1.1
93.06989	0.7
95.08601	0.7
98.23475	1.0
98.98444	2.2
113.93083	0.6
118.06549	5.2
119.08533	0.7
125.00005	5.4
129.33615	0.7
131.08510	0.6
131.94006	0.6
132.08051	1.5
133.08842	0.7
144.08075	13.0
146.09602	1.1
158.09642	5.1
159.10371	1.4
160.11180	1.0
162.09122	2.0
167.90184	0.7
172.11206	2.6
176.10709	1.7
176.14340	19.8
177.11424	0.8
190.12271	1.0
202.15895	90.9
203.16176	1.9
220.16953	100.0
221.17308	3.4
239.09583	0.7
272.61801	0.8
276.80569	0.6
300.13574	72.7
301.14014	1.4
374.17206	0.7
408.09930	0.6
484.24609	0.9
527.26379	1.9
569.27289	1.6
570.24677	0.9
571.25494	11.4
594.39087	7.3
612.40173	34.9
613.26508	10.5
613.40735	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05279	1.9
55.05520	10.1
57.03432	8.5
67.05161	3.3
67.05500	47.8
69.07068	11.3
69.08346	2.0
69.83369	4.3
69.83727	3.7
71.04987	2.3
79.05486	22.2
81.07057	41.1
83.04964	5.1
83.08614	4.4
85.06541	2.4
87.04486	2.0
91.05457	32.8
93.07046	27.4
95.04961	6.6
95.08601	22.4
97.06567	3.5
98.22773	4.1
105.07014	26.8
107.04904	3.4
107.08590	17.1
109.06497	3.7
109.10151	33.4
111.08031	2.4
117.07018	6.4
119.08569	9.0
121.10126	12.4
123.11713	7.1
131.08557	7.0
133.10126	49.9
135.11702	5.3
143.08522	2.2
144.08052	2.0
145.10057	3.2
147.11671	2.4
149.13254	3.7
151.11166	24.8
156.17262	2.1
159.11693	2.5
161.09607	11.6
161.13220	2.6
163.14841	3.0
169.12241	7.0
179.10605	9.8
197.11731	3.1
202.15862	17.7
215.12726	19.7
220.16888	15.1
243.20975	3.7
253.14297	15.4
261.22198	10.0
271.15338	5.7
299.14883	2.9
300.13657	12.6
317.15912	42.2
335.25781	100.0
336.26105	3.6
355.06946	1.9
357.06406	1.9
377.88559	2.3
444.54248	2.0
531.36377	3.6
577.37231	25.6
612.40033	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	612.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55046	10.2
59.94468	10.0
67.05509	78.3
69.07062	33.1
71.04981	27.4
73.04750	18.0
79.05490	50.4
81.03410	11.7
81.07063	71.1
82.05141	12.6
83.08609	18.1
83.17616	10.8
91.05467	47.2
91.05898	13.7
93.07040	38.3
95.08603	32.4
105.07028	44.9
107.08581	20.9
109.10138	25.9
119.08570	18.6
121.10167	15.9
129.06998	13.8
131.08534	13.9
133.10123	37.8
145.10112	15.6
147.11676	17.2
157.10069	13.3
159.11684	13.8
191.21992	10.6
259.20456	19.7
267.15979	14.6
301.20160	19.2
333.24149	27.3
335.25684	29.5
357.07047	16.3
357.58496	12.0
454.70087	11.4
493.22220	13.3
501.35501	48.2
525.24884	14.1
527.37299	16.4
585.27051	33.3
595.25391	20.0
612.45624	36.8
613.26678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47534	10.5
51.75319	9.5
55.05512	16.6
57.03434	12.8
58.84803	9.6
59.49769	10.5
67.05495	72.5
69.07063	15.7
69.94463	14.9
69.94826	27.8
79.05511	54.8
81.03425	94.6
81.07047	63.3
82.99358	9.2
83.08605	15.1
87.85448	9.5
91.05480	33.1
93.07040	62.1
95.04942	19.4
95.08601	26.1
105.07027	35.1
107.08562	24.8
109.10123	31.9
109.54181	10.1
111.08028	13.7
115.85283	12.6
119.08572	20.2
121.10144	12.0
131.08556	21.0
135.11668	17.5
138.59380	10.0
142.30760	10.0
147.11681	19.5
157.10078	11.7
193.12207	17.8
194.62225	10.4
202.15964	25.2
220.16930	16.8
261.21918	25.4
267.15851	99.5
335.25720	100.0
470.51529	11.5
527.37170	48.4
545.38055	16.3
594.27020	17.1
612.28107	64.9
612.46991	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	8.7
55.05501	29.2
57.03438	13.6
61.41202	9.5
67.05502	90.3
69.07081	20.8
69.62624	22.1
69.63012	15.0
74.99600	9.3
79.05499	46.5
80.05827	9.0
81.03407	44.5
81.07056	70.7
82.07391	10.8
83.08611	15.2
91.05424	40.8
91.52437	9.2
93.07042	62.7
94.07346	8.8
95.04982	20.4
95.08600	37.2
105.07008	42.4
106.07320	9.6
107.08568	30.1
109.10167	27.7
117.07024	25.1
119.08572	40.4
121.10152	21.4
121.45465	9.0
129.07016	10.8
131.08595	25.5
132.08858	9.2
133.10146	29.2
135.11757	14.2
143.08545	9.2
143.73831	8.1
145.10121	20.6
147.11752	27.2
157.10120	20.6
159.11716	14.9
161.13298	15.8
171.11732	11.7
184.10376	8.7
189.53836	9.4
193.12129	14.3
199.14737	10.0
259.20618	15.6
267.15881	37.8
335.25949	41.9
336.26151	13.0
527.37177	26.6
612.27380	16.1
612.47009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13863	1.2
55.83108	1.2
58.61095	1.2
67.05494	2.3
74.67591	1.2
79.05476	1.6
81.07063	2.2
83.16334	1.8
125.00042	1.3
144.08095	1.6
157.90562	1.2
159.67929	1.3
172.11278	1.6
176.14377	3.8
202.15900	13.8
203.16270	7.0
220.16937	13.6
221.17314	5.7
266.20511	1.2
287.99780	1.2
300.13690	10.6
301.14066	3.9
318.16281	1.4
352.18091	2.3
353.17807	2.6
366.19485	2.2
367.19525	2.4
369.21475	1.5
379.19327	2.7
380.20392	1.4
381.16797	2.1
381.21182	2.5
383.22375	3.0
393.16586	2.0
395.18793	5.4
396.19846	2.0
397.20352	3.6
409.20325	4.0
410.20786	4.6
411.21991	5.9
412.22409	2.8
422.21255	2.0
423.21805	4.9
425.19333	7.4
437.23645	2.6
438.20300	3.1
439.21298	5.2
440.22153	4.8
453.22781	3.8
454.23898	1.7
455.20038	2.2
456.21432	3.5
467.24533	1.8
469.22418	3.9
481.22391	3.0
483.24554	10.3
484.24512	5.6
496.24777	1.5
497.21515	3.0
511.23132	1.9
512.24011	2.8
527.26593	10.7
555.21265	1.4
569.27466	17.7
570.24591	11.5
571.25470	100.0
572.25775	7.6
585.27026	1.7
613.26465	65.9
613.40210	4.8
614.26837	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	613.2657
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.75726	0.6
63.10773	0.7
67.05499	1.5
69.07066	1.0
79.05503	2.2
79.16435	0.6
81.03416	0.6
81.07059	2.2
83.08640	0.8
91.05429	1.2
93.07041	1.5
95.08581	1.5
105.07033	1.5
107.08581	1.0
109.06512	2.1
109.10130	1.4
119.08585	2.0
120.08124	0.9
121.10154	1.0
133.10139	1.4
145.10075	1.1
152.24295	0.7
161.97910	0.6
165.22987	0.7
249.10878	0.7
305.13632	1.1
312.66455	0.7
338.15015	0.7
365.14117	0.9
366.14667	1.3
367.15317	0.9
367.19400	1.8
380.16290	0.8
381.17117	3.1
382.17877	0.8
393.17224	0.9
394.17880	1.2
395.18567	4.3
396.19431	4.3
397.20117	1.6
409.16473	2.1
409.20834	1.6
410.21118	1.0
411.21884	1.6
422.21002	1.0
423.17526	4.4
424.18771	3.5
437.15814	1.9
437.20627	1.1
438.20547	3.1
439.21234	5.1
444.54114	0.8
451.17212	6.5
452.18204	2.1
465.19223	2.1
466.19550	4.3
467.20847	2.8
469.23013	0.8
479.20746	4.0
482.23022	1.8
483.23874	1.3
493.22299	2.2
497.25281	1.2
506.58740	0.7
510.22498	2.0
521.21442	0.9
523.19385	0.9
525.25085	9.1
535.23511	0.8
538.22125	2.6
539.23407	0.9
553.24493	18.1
554.24377	1.4
581.23755	1.5
613.26447	100.0
614.26727	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	613.2655
Annotation	Karajinone B
Peak:m/z	Relative Intensity
52.17452	3.2
57.07043	4.0
70.06590	4.4
70.93353	6.3
80.20236	3.2
81.07072	5.4
93.07048	6.4
98.09708	12.2
105.07018	6.2
107.04663	3.4
107.08591	4.8
116.10721	10.4
124.03454	3.1
125.25961	3.6
131.08514	4.3
149.02353	4.5
149.55859	3.6
171.73338	3.2
172.45766	3.9
174.09128	7.2
223.48997	4.2
241.13263	4.4
243.11269	17.6
267.11255	5.5
269.12961	5.2
295.10742	7.7
327.13666	8.1
344.13657	4.3
348.13226	6.5
349.48398	3.5
374.14111	3.6
385.08981	5.5
409.23517	3.7
465.18893	5.4
479.20734	5.5
480.21680	6.5
481.23090	4.9
493.22577	3.8
535.23456	20.3
547.36688	3.9
552.87018	3.5
553.24420	91.9
554.24805	5.3
563.22528	7.9
581.23944	100.0
582.23987	5.2
613.17480	6.5
613.26465	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2657
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.37744	0.7
60.72269	0.7
63.06217	0.7
77.85754	0.8
78.82140	0.8
88.39675	0.9
108.08148	1.1
108.85342	0.7
119.08517	1.0
122.06075	1.1
136.07602	3.5
138.09166	1.7
144.08090	1.1
146.09665	1.0
172.07500	0.9
174.09113	7.3
176.15128	0.9
184.09995	1.1
187.12349	2.7
188.10764	3.2
197.10770	1.5
199.08733	0.8
199.12276	1.0
200.09398	1.2
211.08737	2.3
212.09470	1.6
213.10201	1.1
215.11891	3.4
217.47607	0.8
223.08496	1.0
224.09279	1.2
225.10155	4.6
226.11066	1.3
227.11781	5.1
235.08768	2.0
237.10304	2.3
239.11725	3.9
241.09906	1.1
241.13393	5.9
243.11293	20.4
249.10233	1.8
251.11865	2.3
253.09682	1.4
255.11334	1.0
265.09607	1.4
267.11322	8.9
269.12891	6.4
271.10818	1.3
275.11777	1.2
277.09668	1.7
285.12518	1.0
287.13928	4.9
291.11365	1.2
293.12851	2.0
295.10809	7.5
301.12915	0.8
309.12213	1.3
311.14020	3.4
313.12222	1.4
314.13043	2.3
315.13654	1.7
316.10785	1.4
316.14539	1.2
319.10867	1.3
327.13379	7.9
328.10767	1.8
328.14487	2.2
329.11664	2.1
330.12354	3.1
330.16080	2.2
331.13373	1.1
334.15561	1.2
342.12308	2.0
342.16138	1.1
343.13187	2.0
344.13922	3.1
344.17584	1.6
345.14777	1.3
346.15506	1.7
348.13416	3.2
348.17191	1.1
352.15323	0.9
354.12140	1.2
355.13568	1.3
356.13889	3.4
357.14883	2.3
358.15488	3.8
359.16245	1.9
360.17163	1.3
370.15692	3.6
371.16568	1.8
372.17181	5.4
373.17847	1.9
374.18619	2.3
376.16971	1.4
384.17609	1.4
386.14609	1.5
386.18741	2.8
392.13962	1.0
398.14795	1.6
400.16580	2.7
403.15854	1.2
404.17023	1.1
417.17050	1.1
418.17648	4.4
420.16629	1.1
421.17004	2.3
430.18085	1.0
432.19537	1.1
434.18506	1.3
435.18890	1.3
436.19547	1.2
437.19925	1.3
446.17001	1.1
447.17358	1.2
447.22644	1.5
449.15665	1.3
450.16751	1.3
461.18863	1.3
463.17859	1.2
463.21490	1.2
465.19354	7.5
475.21436	1.2
477.19269	1.9
478.19974	4.0
479.20569	5.4
480.21793	4.1
489.23114	2.5
490.19501	6.1
492.21921	1.9
493.22794	4.4
494.23181	1.9
507.23773	3.0
508.21024	2.3
509.25711	1.3
517.22589	2.8
520.21130	1.3
535.23401	15.5
538.22437	1.1
553.24463	80.5
554.24988	4.8
563.23236	3.4
576.20227	1.0
581.23938	55.3
582.24200	3.2
595.25037	2.0
613.26544	100.0
614.26886	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	613.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32370	1.3
55.05519	1.8
56.96562	37.1
57.71627	1.4
58.04574	1.4
67.05495	3.5
73.04739	1.6
79.05498	4.8
81.07052	4.1
81.76073	1.4
84.96025	6.4
87.51645	1.7
91.05445	2.0
93.07035	3.8
95.04965	2.7
95.08617	2.2
97.06492	1.5
98.97577	75.3
105.07028	3.9
107.08599	2.4
110.97569	4.5
112.99127	27.2
116.98618	39.7
117.07044	1.7
119.08559	2.8
121.10104	2.0
123.20724	1.5
124.99081	2.4
128.98602	7.2
131.00162	47.4
133.10152	2.4
134.99628	13.4
140.00220	2.1
140.98582	2.7
143.00177	11.8
144.08083	1.9
146.99664	4.4
149.01219	38.1
154.01730	1.7
157.01680	1.7
158.99646	36.3
160.11212	7.0
161.01195	9.2
167.02280	5.3
170.99687	3.1
172.02840	2.7
173.01176	7.4
177.00700	44.8
185.01224	4.2
189.00667	4.7
191.02248	6.0
195.01715	3.3
199.02806	10.3
200.02325	2.9
203.02251	6.9
209.01245	2.6
215.02275	3.1
217.03830	5.6
219.01805	10.5
227.02261	3.0
233.03369	4.5
237.02832	7.9
255.04007	2.1
275.04367	17.8
293.05414	53.9
311.06488	12.8
316.06979	4.9
317.17853	100.0
318.18182	2.3
334.08035	2.3
335.18912	36.7
358.20602	7.9
377.20120	10.3
408.80658	1.8
497.24390	3.5
553.26849	60.4
554.26807	3.0
614.37012	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	613.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29363	1.1
56.96286	2.4
56.96562	37.1
67.05511	2.0
69.07069	1.4
69.69011	5.1
79.05475	1.4
81.07040	2.1
84.96035	5.0
91.05475	1.2
91.05800	1.6
93.07021	1.3
97.96812	1.6
98.97576	78.3
101.92574	1.1
107.08583	2.6
110.97589	3.8
112.99126	26.7
115.97858	1.5
116.98615	37.9
116.99409	2.4
119.08573	2.5
121.10128	1.1
124.99098	2.2
128.98586	6.3
131.00156	41.6
131.08594	1.2
134.99644	11.6
140.00110	2.9
140.98596	3.2
143.00136	8.1
146.99660	6.3
149.01212	33.5
149.02252	1.6
154.01797	2.3
158.99648	34.7
161.01204	10.7
167.02287	5.5
170.99698	2.4
172.02798	1.8
173.01222	6.0
175.02798	1.4
177.00700	42.7
177.02301	2.1
185.01254	4.5
189.00661	4.1
191.02287	5.9
195.01733	4.5
199.02814	10.4
200.02336	4.0
203.02237	5.7
209.01199	2.8
214.03854	1.4
215.02254	3.7
217.03894	7.1
219.01747	10.9
227.02252	3.8
233.03287	3.3
237.02820	8.2
255.03804	1.7
275.04327	21.3
293.05408	60.0
300.28909	1.3
311.06421	10.5
316.06998	4.3
317.17856	100.0
318.18192	3.5
333.17523	1.3
334.08185	2.4
335.18924	36.8
336.19611	1.3
358.06491	1.3
358.20432	6.8
359.18793	1.6
377.19968	5.5
391.21609	3.0
403.21356	2.3
414.72055	1.3
497.24036	4.0
553.26880	46.8
554.26947	2.0
614.35181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.88752	1.4
53.15582	1.1
55.05508	19.3
57.03438	7.8
57.07079	3.7
60.05337	1.3
64.08354	1.2
65.03941	3.6
67.05501	62.6
69.07063	20.4
70.71786	2.0
71.04992	2.8
71.08610	2.0
78.29137	1.2
79.05490	28.8
81.06567	2.8
81.07052	57.5
83.04987	2.8
83.08624	9.8
85.06581	1.5
89.85114	1.3
91.05475	24.5
93.07036	39.4
93.07605	2.3
95.04962	4.3
95.08598	50.7
97.06544	3.1
97.10177	6.1
105.04485	1.5
105.07021	26.8
107.08593	27.4
109.06555	2.1
109.10148	22.0
111.11707	1.9
117.06995	12.0
119.08577	21.7
121.10128	21.9
123.11700	9.6
129.06989	3.7
131.08557	21.1
133.10129	23.8
133.55740	1.3
135.11676	16.1
137.13297	3.6
143.08585	5.4
145.10115	18.4
147.11687	17.4
149.13242	10.3
151.14812	1.7
155.08559	2.3
157.10152	5.9
159.11670	14.6
161.13268	10.0
163.14836	4.3
169.10138	2.6
171.11714	7.5
171.13173	1.4
173.13223	14.0
175.14862	5.9
183.11769	2.6
185.13280	5.6
187.14786	6.9
188.76740	1.8
189.16451	2.7
191.17929	1.8
197.13249	1.6
199.14905	3.3
201.16336	3.4
213.16385	3.2
215.17920	2.3
217.19580	3.3
221.19141	1.4
236.83560	1.4
241.19598	4.9
243.21205	3.7
259.20456	12.5
261.22156	14.4
268.78073	1.4
273.22406	1.6
299.23932	1.9
313.25378	1.6
327.23627	1.4
333.24362	5.4
335.25732	18.8
337.27362	11.7
353.27289	1.7
355.29761	1.5
369.31488	1.5
521.43683	5.3
539.44379	3.3
595.46918	12.1
596.49164	1.5
613.48218	100.0
614.48285	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	614.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
55.01866	8.1
55.05506	6.8
56.73905	2.5
56.94938	2.2
57.03431	9.5
57.07071	5.6
61.02924	9.1
67.05508	17.3
69.03425	36.2
69.07059	4.7
69.10931	10.0
69.11359	8.6
70.11295	2.2
71.05003	15.7
73.02921	5.2
79.05486	3.9
81.02950	4.4
81.03410	41.8
81.07054	76.4
83.08589	2.9
85.02902	89.9
85.06535	11.1
87.00822	47.4
91.05479	2.8
93.07039	6.6
95.04958	8.0
95.08591	14.5
97.02890	54.7
97.03493	4.5
97.10168	7.8
99.04456	15.8
105.01860	74.5
105.02540	4.5
105.07024	3.8
107.08571	3.8
109.02871	57.9
109.10150	12.0
117.01796	4.2
123.11704	68.4
127.03915	100.0
127.11163	12.6
129.01839	4.2
133.10135	4.7
145.04939	36.4
147.02844	3.8
151.11209	16.6
159.02780	11.5
169.12233	79.6
187.13287	56.0
187.14868	4.6
189.04030	3.3
191.21812	2.6
213.03944	16.3
219.52809	2.4
231.05006	37.7
249.06067	13.5
253.07086	5.5
259.13391	2.6
271.08380	4.5
277.14325	3.7
313.16437	2.4
331.17694	6.3
381.15433	2.5
399.16501	23.8
417.17450	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
55.01880	5.9
55.05510	8.7
57.03430	7.7
57.07067	3.5
61.02925	5.2
67.05498	19.0
68.99779	3.2
69.03426	29.8
69.07070	4.7
70.06580	1.9
71.04987	16.3
71.43636	1.9
73.02907	3.7
79.05492	5.5
81.03414	29.2
81.07051	88.9
83.08598	1.8
85.02898	74.6
85.03419	3.6
85.06554	6.0
87.00820	30.8
89.06039	2.2
91.05463	2.4
93.07043	13.8
95.04983	7.9
95.08598	19.3
97.02882	44.8
97.06541	2.0
97.10172	10.4
99.04455	15.2
105.01853	39.7
105.07050	1.8
107.08593	4.8
109.02871	45.2
109.06528	5.0
109.10165	6.1
111.04438	1.6
111.08107	4.0
117.01887	1.8
118.49199	1.7
121.10135	2.7
123.08095	3.0
123.11697	100.0
127.03907	64.3
129.01831	3.0
133.10124	5.6
140.87921	1.7
141.12740	3.9
141.66089	1.8
145.04945	23.1
147.02882	2.5
151.11169	31.8
156.17867	1.8
159.02888	9.5
169.12222	88.0
170.12663	2.4
181.04918	2.1
183.13422	1.6
187.13283	31.2
192.21930	1.6
207.06485	2.9
213.03896	11.2
231.04965	18.5
231.07004	1.8
249.06143	6.5
271.68259	1.7
277.14334	3.6
280.43893	1.7
287.05557	3.1
295.15356	3.4
313.16507	9.7
331.17490	65.7
361.02020	2.7
379.03928	1.8
381.15265	2.3
389.73862	1.8
391.22665	1.9
399.16428	12.6
417.17551	21.9
543.20575	3.3
579.22510	5.8
612.54272	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89515	0.5
55.05510	0.9
57.07073	6.9
58.06597	2.2
60.69614	0.5
63.22775	0.5
65.03941	0.9
66.42482	0.5
69.07066	0.6
70.06591	18.5
70.08959	0.5
71.08634	2.1
83.04988	1.5
85.10191	1.0
88.07630	21.9
91.05808	0.6
91.81047	0.5
102.09177	16.8
105.15479	0.6
121.02845	0.7
149.02335	47.9
150.02626	0.5
167.74063	0.5
167.89529	0.5
175.03908	1.1
193.04958	54.4
207.22731	0.6
219.06514	0.9
225.05502	1.1
229.36555	0.7
256.26346	45.7
257.26831	1.1
268.38150	0.5
269.04425	2.8
297.03864	3.3
298.09857	0.7
313.07306	3.4
341.06543	12.3
359.07513	6.5
385.09164	53.1
386.09525	1.8
427.15442	0.7
452.07330	0.6
472.27890	0.5
532.21606	0.9
556.51239	0.6
568.96783	0.6
614.33203	100.0
615.33441	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	614.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	2.5
55.05508	32.5
57.03440	9.6
57.07066	6.5
59.05000	3.1
65.03938	2.8
67.05502	74.5
67.38553	1.7
69.03416	2.1
69.07065	12.4
71.04997	3.3
71.08639	2.7
79.05489	36.6
81.07051	43.4
82.07350	2.1
83.08626	11.7
85.02914	9.8
85.06524	3.8
87.04453	13.3
89.06026	100.0
91.05474	18.9
93.07037	29.7
95.04960	8.2
95.08603	29.6
97.06546	3.3
97.10176	13.1
105.04539	1.9
105.07023	10.3
107.05028	2.2
107.08594	22.5
109.06493	1.8
109.10139	40.8
111.04440	1.8
111.08060	2.0
117.07015	4.7
119.08571	11.8
121.10112	13.2
123.11689	5.2
125.09606	15.2
129.31400	1.6
131.07005	2.9
131.08583	7.9
133.07591	4.2
133.08597	66.1
133.10175	5.4
135.11710	9.2
143.10628	3.2
145.10120	4.5
149.13211	3.1
155.10562	2.1
159.11755	3.9
161.13222	3.9
162.68460	2.1
163.11186	3.9
163.14795	3.2
167.10585	2.3
170.31384	2.2
173.11728	11.1
173.13029	2.0
177.11220	25.2
199.13281	10.3
221.13837	6.0
227.12755	3.1
229.14323	26.8
239.14969	3.3
243.21109	2.9
261.22043	9.2
265.16470	2.4
283.17691	3.2
301.16516	8.8
327.19778	2.0
335.25797	52.1
336.25946	1.9
371.22668	3.0
415.25253	25.0
439.21509	2.2
472.51215	1.9
477.35678	7.4
489.35602	6.2
528.27020	2.8
534.34143	1.9
561.38025	2.4
570.27808	12.5
571.25073	2.4
572.25653	21.3
614.26807	19.4
614.37531	2.9
614.48145	2.9
615.39514	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
57.07072	57.7
69.07056	6.3
71.08627	48.5
71.45750	1.8
73.06548	4.7
76.79007	1.6
83.08602	3.9
85.10172	30.2
87.04447	6.2
89.06026	100.0
97.10114	2.9
99.11723	6.3
101.83765	1.8
107.07038	3.4
111.11707	4.6
113.13277	6.3
117.09117	8.2
125.13226	2.2
127.14806	5.3
130.08661	2.2
131.06995	3.6
133.08595	65.2
144.19975	1.6
147.22929	1.7
151.70204	1.6
161.11713	2.3
175.09669	1.8
177.11217	30.5
191.94376	1.6
221.13850	6.7
221.43669	1.6
227.23720	2.4
238.30530	1.7
239.14885	2.1
264.55746	1.8
271.26233	3.0
283.17633	2.4
306.05835	1.7
315.28812	3.2
327.20044	2.9
371.22470	2.3
415.25504	7.3
486.21436	1.6
553.42969	2.8
597.46155	8.3
597.53882	1.9
614.47797	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	614.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.9
57.07071	50.6
67.05499	2.7
67.80019	1.5
69.07073	8.5
71.08627	52.1
72.71390	1.6
73.06557	4.7
85.10172	29.1
85.10639	2.6
87.04472	9.4
89.06026	100.0
95.08583	2.0
99.11724	6.5
107.07088	3.7
111.11746	3.3
113.13284	8.1
117.09156	6.1
119.09478	1.7
125.13241	2.7
127.14781	2.2
130.08650	2.1
131.07019	3.4
133.08592	60.7
177.11226	22.0
221.13785	5.7
267.29520	1.8
271.26297	4.6
283.17474	3.5
295.64923	1.8
315.28873	4.6
415.25229	5.2
579.94006	2.0
597.45483	6.1
614.47589	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	616.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.0
53.03931	4.6
55.01865	2.4
55.05489	5.0
57.03426	1.9
57.07063	1.4
61.02898	2.1
65.03924	3.4
67.05484	6.2
68.99785	1.2
69.03426	9.4
69.07061	3.7
69.33616	0.9
69.45012	2.3
69.45402	2.3
70.06574	1.4
71.04964	3.1
73.02914	2.7
77.03886	1.2
79.05488	16.7
79.05898	1.9
81.03420	9.1
81.07052	8.0
85.02901	20.2
87.00834	8.4
91.05475	19.8
93.07039	86.5
95.04961	12.8
95.08594	2.6
97.02881	10.0
97.06522	2.7
99.04438	2.5
105.01863	9.8
105.04491	4.0
105.07028	8.3
107.04886	1.0
107.08584	94.7
109.02863	7.1
109.06488	5.9
109.10137	2.6
109.38309	1.0
111.04433	1.7
117.07037	1.2
119.08559	6.0
121.10136	2.4
123.04427	5.9
124.07554	1.3
127.03903	11.9
129.01860	1.5
129.39255	1.1
131.08568	1.4
133.10117	2.6
135.11685	100.0
136.12030	1.5
140.04668	12.8
141.44548	1.2
143.08484	1.1
145.02875	1.4
145.04948	5.0
145.10144	1.6
147.67867	1.0
151.07568	1.3
153.12729	3.5
155.06978	4.4
157.10109	2.2
159.02856	3.4
159.09158	1.2
159.11700	1.9
171.06561	2.3
175.11224	1.5
179.07080	1.5
181.04941	40.5
182.05334	1.3
183.11716	1.2
197.13289	1.4
199.05992	9.4
201.12746	1.1
225.12701	1.9
231.04984	3.3
243.13806	2.1
247.24016	1.2
249.06104	1.1
322.12851	1.2
333.16913	8.1
343.89432	1.2
357.47275	1.1
418.15985	1.2
435.20840	1.3
462.20148	2.4
463.20398	2.6
477.09406	1.3
480.20306	1.9
493.21201	1.5
494.22421	3.1
495.22827	1.6
584.25903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
54.01615	0.7
55.01872	7.6
55.05507	8.5
57.03431	6.7
57.07074	9.8
60.04520	1.4
61.02923	5.9
65.29864	0.7
67.05502	3.2
68.99777	3.7
69.03427	37.8
69.07063	65.7
70.06606	1.1
71.05004	6.0
72.08163	1.1
73.02915	5.5
77.40745	0.8
79.69999	0.7
81.03411	34.3
81.07058	9.2
82.07417	0.8
83.01322	1.0
83.04993	1.3
83.08615	22.5
85.02900	100.0
86.09711	2.6
87.00825	43.9
87.05591	0.9
91.03947	2.2
93.07030	3.0
95.04983	1.2
95.08603	7.3
97.02888	48.2
97.06516	8.5
97.10133	1.6
98.93169	0.8
99.04453	15.2
105.01859	69.7
107.08598	3.6
108.04454	2.1
109.02873	54.6
109.10139	5.2
109.14224	0.8
111.04378	0.8
111.08047	1.5
111.11711	1.5
115.03956	1.2
117.01821	2.4
123.02937	0.8
123.11676	2.6
124.12056	0.9
125.13261	7.2
126.05502	1.0
127.03905	99.9
129.01848	4.1
135.11696	7.1
137.13260	1.4
141.01750	0.8
143.14349	5.6
145.04948	29.0
145.06087	1.8
147.02858	2.3
151.11197	0.9
151.93182	0.8
153.12729	30.9
159.02866	12.4
163.06102	0.8
169.12163	1.1
171.13791	70.9
172.14001	1.1
173.12885	1.6
177.05443	1.2
178.52402	0.8
187.13293	1.2
189.03877	3.2
189.14827	17.0
213.03935	15.6
231.04987	35.5
249.06007	12.4
251.16283	1.0
253.07022	2.5
267.80807	1.0
271.08038	1.8
279.15927	3.5
297.16797	1.7
308.02661	0.9
315.17804	1.3
331.09952	1.8
375.09183	1.1
383.16797	2.7
393.09930	1.3
401.18094	10.0
419.18951	4.2
617.05475	1.0
617.14667	15.7
617.24127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.7
55.01888	5.6
55.05505	8.6
57.03429	7.4
57.07077	6.4
61.02926	7.5
67.05506	4.6
69.03429	40.8
69.07063	54.8
69.38928	6.1
69.39339	7.9
71.04994	8.1
73.02916	6.3
79.05519	3.0
81.03421	34.6
81.07042	21.0
83.08611	18.2
85.02902	100.0
87.00826	36.4
91.05524	3.0
93.07034	6.5
95.08612	9.5
97.02892	42.5
97.06548	7.1
99.04464	14.7
102.46864	2.8
105.01863	43.5
107.08603	9.5
107.39814	2.6
109.02879	69.2
109.10149	5.0
111.08109	3.0
111.11720	12.5
120.53708	2.5
123.11754	2.6
125.13292	7.6
127.03905	99.5
135.11696	18.2
137.13277	3.2
143.14282	3.2
145.04964	17.2
153.12726	61.5
159.02914	9.1
171.13802	90.1
189.14886	21.6
213.03908	26.8
231.04980	34.1
249.05916	4.4
279.15930	11.9
292.12305	4.6
297.16959	5.5
308.16830	2.7
315.17953	2.5
325.74170	2.7
383.16837	9.6
401.17917	18.8
419.18976	10.6
429.83273	3.0
453.17181	8.6
454.17532	27.6
455.18292	3.9
461.61426	3.3
486.45120	2.9
545.58160	3.0
616.23083	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	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05021	1.3
56.96566	5.3
57.03434	0.4
58.06595	0.9
60.08162	6.3
66.17103	0.3
67.05506	1.9
67.40871	0.4
67.74081	0.3
69.07097	0.8
71.07371	6.8
72.08167	1.0
76.21571	0.3
79.05493	0.9
81.07036	0.9
83.08602	0.4
86.09702	21.5
91.05478	1.4
93.07048	1.5
95.04929	0.6
95.08617	1.1
97.06560	0.4
97.96812	0.4
98.97579	0.5
102.92624	1.4
104.10739	100.0
105.06989	0.7
105.11103	0.8
107.08577	0.8
110.97559	0.8
115.97835	0.4
117.28879	0.3
118.92099	1.0
119.08586	0.8
121.10142	1.2
121.81112	0.4
124.99995	1.3
128.98599	1.0
129.99098	0.4
131.08536	0.5
133.10158	0.5
136.93117	2.3
145.10069	0.4
154.94156	3.9
162.94681	1.4
167.10654	0.8
172.95233	5.9
180.95702	6.3
181.02652	0.5
184.07387	0.9
190.96228	2.8
192.95795	0.4
195.96777	0.4
198.96786	21.2
210.96838	1.5
216.95760	0.7
216.97836	11.4
221.15448	0.5
221.98380	0.5
227.09546	0.4
228.97884	3.2
233.15324	0.8
239.99602	0.5
240.09926	2.3
245.10509	0.4
254.99397	2.1
273.00406	0.6
278.00583	0.5
279.12732	0.6
282.04083	1.3
283.01932	1.0
300.05164	1.1
314.06686	0.7
317.17865	24.1
318.18182	0.9
335.18930	11.7
335.25299	0.5
358.20599	1.5
373.20749	0.7
397.14505	0.6
437.17593	1.9
441.17172	1.3
449.99152	0.4
453.17126	3.4
454.44098	0.4
471.18253	4.8
497.19769	4.8
500.24475	10.3
500.31665	0.6
556.27039	18.0
557.26935	0.5
616.29132	9.8
616.40448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16225	1.1
53.03938	5.3
55.01863	6.1
55.05501	4.4
57.03436	11.0
58.54533	1.2
61.02936	2.8
65.03930	3.5
67.05505	17.0
68.99789	2.1
69.03426	16.9
69.07071	5.7
71.04989	7.2
73.02902	3.2
79.05495	7.0
81.03413	65.8
81.07063	7.7
83.04959	4.3
83.08613	1.5
84.04430	1.1
85.02899	39.3
85.03414	2.0
87.00827	15.6
91.05466	7.9
93.07040	14.3
95.04964	68.0
95.08604	14.7
97.02882	13.2
97.06540	2.4
98.09698	1.0
99.04455	7.3
99.08082	1.4
103.74010	1.0
105.01847	12.6
105.07024	14.0
107.04945	4.2
107.08582	14.8
109.02882	16.6
109.06511	11.9
109.10161	6.6
111.04437	1.2
111.08137	1.8
117.01866	2.2
117.07015	2.6
119.04914	1.3
119.08568	23.3
121.06492	12.0
121.10133	26.7
123.04417	12.2
123.08041	7.8
123.11725	2.9
125.09662	1.4
127.03906	23.4
128.06189	1.6
129.01791	2.2
129.06990	4.2
131.04903	1.6
131.08549	7.3
133.06464	5.2
133.10135	19.8
135.08038	12.6
135.11688	11.1
137.05934	2.5
137.09604	4.9
137.13313	1.4
141.05432	1.3
142.07729	2.4
143.08565	5.5
145.04987	8.8
145.06473	13.2
145.10089	12.5
147.08054	14.9
147.11681	6.8
149.05948	1.5
149.09622	12.5
149.13248	2.3
151.07504	5.8
151.11182	2.7
155.08531	2.8
156.09344	1.8
157.06503	2.1
157.10132	6.6
159.02875	10.6
159.08073	5.4
159.11685	11.2
161.05914	1.5
161.09605	14.1
161.13213	2.8
163.07498	1.6
163.11165	21.9
165.06972	1.6
165.09061	1.1
167.08507	1.7
167.10645	1.5
169.10118	4.3
171.08008	4.1
171.11633	9.7
173.09631	5.4
173.13225	7.9
175.07559	1.9
175.11214	5.7
175.14804	19.4
177.09084	3.6
177.12650	6.6
179.06969	2.2
179.08450	2.1
181.10139	2.6
183.08058	1.9
183.11694	3.4
185.09639	6.9
185.13210	5.7
186.10411	1.9
187.11197	5.5
187.14799	5.1
189.09151	2.1
189.12738	9.5
191.10550	1.3
191.14314	2.1
193.10165	2.1
193.15862	28.5
194.10912	1.5
195.11719	3.5
197.09654	2.1
197.13239	4.5
198.10252	1.4
199.11122	9.6
200.11882	1.6
201.09030	1.7
201.12749	5.2
201.16325	1.2
203.10634	1.4
203.14305	20.1
203.16035	2.1
209.09550	1.5
209.13237	3.5
211.11241	2.5
211.14883	3.0
213.03970	1.4
213.12708	6.4
213.16272	2.4
215.14243	6.3
216.21889	1.2
221.13388	1.6
221.15366	5.4
223.11136	1.7
223.14842	1.5
225.12698	4.5
227.10684	1.7
227.14320	6.4
227.17976	1.6
229.12228	2.6
229.15865	13.9
231.04936	6.3
231.13768	1.3
237.12775	2.7
239.14333	4.7
241.15839	12.4
241.19484	1.8
243.13800	1.7
251.17960	3.4
253.15810	1.4
254.16734	1.2
255.13853	1.3
255.17378	3.1
257.15350	2.0
259.16943	8.8
269.18976	24.5
271.16852	1.6
276.25803	1.2
279.17514	8.4
287.20181	2.7
297.18469	55.9
298.18808	2.6
315.19516	100.0
316.19675	3.4
316.23276	1.2
333.20572	15.0
339.19431	2.7
357.20529	4.7
375.21469	4.6
379.72717	1.1
423.22049	1.4
545.23438	1.6
557.77118	1.3
563.24988	4.5
581.25397	1.8
608.52490	1.2
611.30927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01865	7.4
55.05505	10.9
57.03433	8.5
61.02904	3.3
65.03922	2.2
67.05492	4.6
68.99785	4.8
69.03428	29.1
69.07059	4.6
69.07424	1.4
71.04980	5.2
73.02902	5.9
74.23534	1.4
79.05047	1.9
79.05488	29.7
81.03418	36.0
81.07053	100.0
83.08595	4.4
85.02900	62.2
87.00825	22.6
91.03938	2.9
91.05462	10.9
93.07037	17.9
95.04957	5.4
95.08601	12.1
97.02892	31.8
98.33007	1.4
99.04456	12.0
101.02380	27.2
105.01854	15.5
105.04504	1.9
105.07031	16.6
107.08588	9.5
109.02870	35.4
109.06569	3.2
109.10124	3.6
117.01844	3.7
117.07019	4.6
119.03416	61.9
119.08578	14.0
121.06487	2.6
121.10146	3.1
123.11725	1.8
127.03913	63.0
128.06215	5.7
129.01819	3.7
129.06979	5.2
131.03436	1.7
131.08556	36.4
133.10153	7.8
135.11719	2.1
137.05986	3.0
139.07539	1.7
141.06961	3.4
142.07782	5.6
143.08551	20.4
144.09306	1.7
145.04953	10.2
145.10109	16.6
147.08031	1.9
147.11658	17.8
149.09619	2.5
149.13234	6.8
155.07077	1.6
155.08554	8.4
156.09285	6.6
157.10112	19.9
158.10786	2.2
159.02870	14.5
159.08076	1.8
159.11684	21.4
161.09590	4.2
161.13243	4.2
163.11209	3.5
167.08607	3.2
168.09352	3.5
169.10109	11.2
170.10944	3.1
171.11661	14.2
172.12379	2.7
173.04445	2.4
173.09593	2.3
173.13245	26.8
175.07536	9.3
175.11185	3.1
175.15108	1.6
175.16815	2.5
176.11925	3.7
177.09094	2.4
177.12666	3.3
181.10091	4.6
182.10919	2.2
183.11688	13.1
185.09593	2.6
185.13231	38.3
186.10400	3.1
187.14815	4.0
189.09157	2.2
189.12779	2.3
191.10580	2.2
193.12178	2.5
195.11670	5.5
196.12402	1.9
197.13269	11.5
199.11156	5.3
199.14812	4.9
201.09012	1.8
201.12697	3.5
203.10707	7.7
203.14330	13.6
205.12276	5.3
209.13196	4.8
210.14020	2.0
211.11249	2.8
211.14809	12.7
213.03998	1.9
213.12700	2.1
213.16432	3.3
215.10672	2.5
217.12225	39.1
220.12355	2.1
223.14839	1.9
225.16470	1.8
227.05531	2.6
227.17902	25.7
229.12204	4.6
229.15756	1.8
229.19440	1.9
231.05061	7.3
235.13271	5.6
239.17923	13.7
241.19475	6.7
245.06549	9.8
247.13307	2.6
251.17967	4.4
253.19528	25.9
257.18951	21.7
259.13217	2.1
263.07593	5.4
267.17297	5.3
269.15234	1.7
269.18982	13.9
271.20486	2.8
273.18448	2.6
279.17331	1.6
285.18466	35.7
287.20151	9.2
297.18481	15.8
303.19479	14.3
315.19498	15.7
321.20554	3.7
333.20505	2.9
387.20490	1.7
419.22821	2.1
451.22736	1.5
568.33459	1.7
643.15869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3113
Annotation	Hypaconitine
Peak:m/z	Relative Intensity
53.03958	1.7
57.79898	0.9
58.06607	1.3
62.52429	0.9
63.06702	0.9
70.06584	2.0
73.62978	1.0
75.04465	1.3
79.17965	0.9
85.02958	1.3
85.09600	1.3
88.07639	2.6
91.05482	3.0
94.06573	3.0
95.04977	6.2
98.86533	1.0
105.03388	42.0
105.04512	1.9
105.07015	2.1
108.08173	1.1
110.09708	1.5
111.78948	0.9
115.05412	1.1
117.07008	1.6
119.08557	1.9
128.06152	1.2
131.08580	1.5
140.10733	1.7
143.08569	1.1
147.04439	1.5
172.11209	1.6
174.12791	1.2
177.05443	2.5
179.08481	1.2
181.10123	1.1
182.59117	1.1
206.15477	1.5
248.95334	1.0
249.74100	1.0
263.10617	1.9
305.15192	1.3
310.17990	2.0
315.19498	1.1
338.17447	12.4
342.20697	4.0
460.21228	1.1
464.24582	2.4
492.23981	3.8
496.26849	3.1
524.26221	12.2
556.28979	12.5
584.28900	1.5
616.31104	100.0
617.31708	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	616.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
54.09538	0.9
55.01864	5.8
55.05506	7.4
57.03431	10.5
57.07068	1.4
61.02915	3.7
65.03939	1.5
67.05499	3.0
67.79214	0.9
68.12196	1.0
68.99780	2.9
69.03426	27.9
69.07061	4.3
71.04980	4.4
71.44582	1.3
73.02911	3.6
73.67498	0.9
79.05485	18.4
81.03410	33.3
81.07050	72.5
82.07359	1.4
83.05000	1.0
83.08614	8.8
85.02897	51.4
87.00824	15.7
87.04476	1.2
91.03956	1.7
91.05459	8.6
93.07040	12.2
95.04960	3.3
95.08593	7.1
97.02883	27.6
97.10161	1.8
99.04425	10.8
99.08061	1.0
100.96009	1.0
101.02368	36.8
105.01864	10.1
105.07004	12.6
107.08569	6.6
109.02870	38.4
109.10169	5.2
111.08077	1.1
115.03876	1.1
115.05446	1.4
116.97965	0.9
117.01871	2.4
117.07021	3.9
117.30492	1.0
119.03405	100.0
119.08559	8.9
119.37121	1.0
121.06483	1.7
121.10136	2.6
121.69046	1.1
127.03903	76.5
128.04198	1.3
128.06212	2.5
129.01842	2.6
129.06987	4.6
131.03349	1.6
131.08549	24.9
133.10129	4.0
135.11620	1.1
137.05977	2.7
139.07574	1.3
141.06958	2.9
142.07761	3.5
143.08545	14.5
144.09282	1.9
145.04927	11.9
145.10117	13.5
147.02919	1.8
147.11681	14.4
149.05965	1.9
149.09604	2.5
149.13235	6.2
155.08522	6.8
156.09305	3.7
157.10147	11.2
157.15924	2.3
158.10924	1.8
159.02869	10.6
159.07930	1.3
159.11667	15.4
161.04445	1.6
161.09619	3.4
161.13272	4.4
163.11171	3.5
165.09201	0.9
166.08337	1.6
167.08607	2.3
169.10101	7.2
170.10875	2.3
171.11681	9.4
172.12482	1.2
173.04451	4.1
173.13248	20.1
175.07533	6.0
175.11189	1.9
175.16928	2.9
176.11969	3.0
177.05447	0.9
177.12759	1.3
180.09285	1.0
181.10115	1.8
182.10962	1.8
183.11655	8.8
185.09685	1.3
185.13232	27.2
186.10437	1.9
186.13553	1.2
187.11166	1.3
187.14813	2.0
189.09070	1.5
189.12759	2.2
191.10693	2.1
195.11697	2.8
196.12370	1.1
197.04500	1.1
197.13196	7.2
199.11182	3.4
199.14799	3.2
201.12773	1.7
203.10654	4.1
203.14319	9.6
205.12256	2.1
209.13208	3.4
210.14003	1.2
211.11273	1.3
211.14778	7.4
213.04031	1.8
213.12781	1.3
213.16368	2.0
215.10632	1.2
217.12210	32.1
218.12613	1.4
219.07385	1.0
220.97543	1.0
221.88158	0.9
223.11182	1.5
224.15616	1.1
225.12683	1.8
225.16507	2.3
227.05373	4.8
227.14435	1.3
227.17923	21.5
229.12212	3.3
229.19485	1.2
231.05023	5.2
231.13762	1.0
233.11600	1.7
235.13277	4.4
239.17900	10.1
241.19502	4.1
245.06514	16.8
245.11681	1.3
247.13333	1.3
251.17964	4.3
253.19507	20.0
254.19753	1.7
255.17407	1.2
257.18991	17.5
259.20572	1.2
263.07608	7.5
267.17462	3.4
269.18967	10.1
271.20630	2.6
279.17365	1.5
285.18451	24.8
286.18835	1.6
287.17227	1.2
287.19980	7.7
297.18506	9.5
299.20218	1.5
303.19492	9.1
315.19531	12.5
321.20499	1.8
333.20529	2.2
369.19220	1.2
383.20599	1.4
387.20142	1.6
401.21790	1.3
419.22656	1.3
447.15982	1.4
448.83032	1.0
465.17398	2.5
483.18256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69957	0.3
69.05996	0.7
69.06402	2.0
89.37994	0.3
111.40875	0.3
137.06041	0.4
214.88895	0.4
246.63736	0.3
301.08972	2.9
339.10501	2.9
340.29385	0.3
485.16290	3.8
617.20453	100.0
618.20660	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	617.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	0.2
51.29309	0.2
62.11942	0.3
63.47069	0.3
70.70285	0.6
74.15665	0.3
74.42776	0.3
91.89048	0.3
93.20865	0.3
99.94111	0.3
120.88305	0.3
152.85388	0.3
181.03499	0.5
195.05023	0.9
237.06013	0.5
279.07260	0.3
301.08966	3.8
319.09598	0.4
339.10211	3.2
357.10358	0.8
425.12750	0.4
485.16318	2.6
617.20441	100.0
618.20605	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	617.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59137	0.9
68.11537	0.9
68.98537	1.1
68.98965	0.8
69.29366	3.5
70.06570	1.8
83.25372	0.9
94.98088	0.9
98.10938	1.1
101.00876	1.2
119.01894	2.8
121.32594	1.0
161.02988	2.3
184.31419	1.0
189.08911	1.1
202.48439	0.9
203.05276	9.3
207.09903	6.1
215.69064	1.0
245.06274	6.9
271.04355	1.7
289.05365	3.7
301.87726	1.0
369.15189	55.4
370.15454	3.1
393.15298	1.4
411.16199	21.9
434.16617	0.9
437.14438	2.3
455.15210	100.0
456.15662	3.4
573.21558	13.1
575.31659	1.2
617.20441	60.1
618.20990	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	617.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01160	0.8
56.26030	1.1
67.05495	3.4
69.46679	4.4
83.99831	1.0
94.06574	4.4
103.20764	1.1
122.06026	13.8
131.84081	1.0
134.06033	1.7
136.07559	7.2
146.05956	1.5
164.07050	6.5
166.08562	4.7
173.55966	1.0
177.05412	1.0
200.60327	0.9
221.10736	1.6
222.11440	1.9
223.08716	3.4
224.13106	1.3
225.10191	9.3
227.11786	1.2
235.08607	1.9
235.12263	1.6
236.09491	2.0
236.13004	1.4
237.10217	6.9
237.13866	4.2
238.10953	3.0
239.11757	4.3
239.15396	1.2
247.12216	1.7
248.09499	4.2
249.10191	11.3
250.10925	8.3
251.08124	4.1
251.11794	22.3
252.12347	3.7
253.13390	2.9
263.09048	1.9
263.11749	21.6
264.09586	1.9
264.12546	16.6
265.09778	5.8
265.13342	26.9
266.10425	2.5
266.13986	4.1
267.11279	2.2
267.14932	2.4
269.12823	1.1
277.09628	6.1
277.12799	0.9
278.10553	4.2
279.11264	10.1
280.11963	1.8
281.12766	3.6
283.10712	6.4
283.52316	1.0
289.79993	1.1
291.11319	3.5
292.11938	2.3
293.12735	11.7
294.13605	5.6
295.10770	5.4
295.14352	3.2
296.11536	6.7
297.12360	5.4
298.12994	1.1
309.12296	37.6
310.12881	5.2
311.13867	50.4
312.14240	3.0
319.10800	6.0
320.11554	3.3
321.12268	7.4
324.11090	5.4
325.11725	2.8
337.11789	40.1
338.12512	14.7
339.13376	71.0
340.13690	3.1
353.14850	1.3
357.14462	3.1
369.09662	2.0
369.14395	48.6
370.14972	3.8
371.15994	52.0
372.16714	2.7
376.19949	1.5
386.18707	1.3
387.16400	1.2
396.17816	1.0
414.18005	2.4
416.19620	11.6
432.19107	17.9
434.20813	1.2
436.22028	2.3
442.17523	2.3
446.20493	2.0
446.48373	1.0
460.18646	100.0
461.19058	6.4
462.20612	2.0
464.21799	59.3
465.22049	4.6
492.21271	48.5
493.21512	3.6
494.23010	2.6
567.26038	1.7
585.27032	14.4
586.27509	1.8
617.34607	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	617.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60194	0.3
55.05505	0.5
67.05489	1.0
69.03419	0.7
71.19140	0.6
73.02927	0.4
75.32880	0.4
81.07052	0.7
95.04947	0.4
97.02895	0.6
105.07051	0.7
108.08067	0.4
109.10166	0.5
119.08543	0.5
122.06078	0.5
123.11694	0.5
124.07613	0.6
135.11708	0.6
136.07526	0.6
166.08667	0.9
177.05490	0.7
235.08636	0.5
237.10344	0.7
237.13803	1.0
238.11105	0.6
239.11856	0.9
248.10756	0.5
249.10356	0.7
249.73964	0.4
250.11098	1.1
251.11781	4.0
252.12502	1.0
253.13460	0.5
263.11844	1.2
265.13391	5.0
267.14938	0.8
279.11267	1.7
281.12848	0.6
293.12906	1.8
295.14359	1.0
297.12195	0.7
309.12411	1.8
311.13907	5.3
321.12659	0.4
337.11847	1.4
338.12241	0.5
339.13397	9.4
340.13724	0.8
351.28836	0.8
357.14487	0.6
369.14404	2.7
369.29730	2.6
371.16016	25.5
372.16370	1.5
384.94925	0.4
418.93573	0.5
431.39255	0.4
460.18640	2.9
462.19931	1.0
464.21774	4.1
492.21317	1.9
513.34119	2.9
531.34973	7.2
532.36346	0.7
537.33929	0.9
555.35034	5.7
573.36084	20.9
574.36633	0.9
585.27112	1.4
599.34082	11.3
617.35046	100.0
618.35248	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36294	0.6
55.05508	1.0
56.83166	0.6
67.05521	0.7
69.07065	1.6
81.07080	0.9
83.09615	0.6
91.05515	0.5
94.06564	1.6
95.08598	0.7
98.23515	1.3
106.37147	0.5
109.10168	1.1
119.08572	0.8
122.06053	4.4
140.07054	6.8
146.06033	0.8
148.07555	7.4
167.03189	0.6
174.05518	0.6
178.01505	0.7
185.04202	1.1
190.04915	1.1
191.19000	0.5
203.05284	2.9
227.05244	1.0
227.11642	1.1
229.03102	0.7
245.06313	9.7
245.08693	0.7
271.04498	0.9
287.13892	12.2
288.14355	0.8
289.05273	27.6
331.13351	0.6
331.16956	1.4
337.28986	0.6
351.28751	6.2
358.15854	0.6
369.29755	8.9
410.77878	0.7
432.19479	1.4
475.09735	0.6
492.86063	0.6
499.76114	0.7
531.35052	2.4
555.26910	0.7
555.34680	1.2
573.27252	0.9
573.36035	14.5
599.25281	1.2
599.33881	6.1
617.35046	100.0
618.35754	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	617.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32587	1.4
55.05506	1.7
56.34367	1.2
67.05493	3.9
69.07070	2.1
71.43925	1.5
79.05482	2.1
81.07052	4.8
91.05454	2.7
93.07047	4.2
95.08587	2.0
107.08631	2.2
121.10176	2.2
122.18262	1.3
147.08176	1.3
154.91809	1.4
233.11711	1.4
283.15131	10.4
328.02951	1.2
339.17889	3.7
491.08109	1.3
617.40228	100.0
618.40668	5.7
636.76794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.05505	25.8
57.07069	25.3
59.05003	11.5
63.99946	4.9
67.05504	42.0
68.14026	5.4
69.03433	18.5
69.07076	33.7
71.04984	8.0
77.03924	8.5
79.05486	47.2
81.07053	54.0
83.04973	30.4
83.08613	19.6
85.02928	6.3
87.04452	10.4
91.05477	73.9
93.07034	89.7
94.07379	5.5
95.04967	39.9
95.08605	39.9
97.06518	29.9
105.04583	5.6
105.07026	100.0
106.68182	5.4
107.05006	6.2
107.08582	86.8
109.06531	25.5
109.10191	30.8
109.85647	5.5
111.08042	7.0
111.11713	9.0
115.05428	8.9
117.07043	26.1
117.44678	4.9
119.04888	6.3
119.06102	5.8
119.08570	72.9
121.06496	15.2
121.10142	95.9
123.08059	28.4
123.11707	19.9
125.05994	25.3
125.09629	18.2
128.06235	18.4
129.06993	22.3
130.07755	7.4
131.08542	55.4
133.10129	48.8
135.08075	20.5
135.11676	18.2
137.09625	17.0
139.11177	7.3
140.80756	7.0
141.07002	12.0
142.07768	29.2
143.08536	43.3
145.10121	74.8
147.08052	19.0
147.11682	24.3
149.09610	30.2
149.13202	8.4
151.07603	7.5
151.11122	9.7
153.07010	8.9
153.19984	5.5
155.08530	24.7
155.10579	8.1
156.09355	14.1
157.10143	50.5
159.08084	13.1
159.11694	46.5
161.09639	11.2
161.13307	17.6
163.11169	31.7
165.09142	22.7
167.08568	11.5
167.10670	90.4
168.09406	6.1
169.10120	35.6
170.10770	9.9
171.11682	35.6
173.09604	11.5
173.13272	23.1
175.11075	10.0
179.08522	10.5
180.09285	8.6
181.10168	12.5
181.12210	32.8
182.10913	14.1
183.11653	27.0
185.09541	9.9
185.13211	13.4
187.11169	10.4
187.14842	7.2
189.12791	11.2
191.14285	6.1
193.10185	13.5
194.10855	9.6
195.11670	21.1
197.13300	29.7
199.14767	11.7
200.67770	6.2
201.12798	5.8
203.14333	10.5
206.10788	7.2
207.11728	16.4
209.13264	29.9
211.14787	14.8
215.14467	9.8
220.12424	6.6
221.13249	18.8
221.15422	31.1
223.11163	5.9
223.14844	20.0
225.16388	7.6
232.12370	6.8
233.15289	33.1
234.13977	6.7
246.13879	5.1
258.14487	6.4
269.18979	11.2
299.20206	7.6
307.84485	5.5
361.25354	8.1
406.13736	6.5
599.40564	24.3
617.42255	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	618.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05454	0.4
56.05032	1.1
56.96564	4.0
58.06598	0.8
60.08163	6.7
67.05492	1.8
69.07062	0.6
71.07373	4.9
71.63844	0.5
79.05492	0.8
81.07058	1.0
86.09702	22.1
93.07049	0.6
95.04972	0.6
95.08599	1.0
102.92629	1.7
104.10739	100.0
105.07043	0.9
105.11090	0.6
107.08599	0.7
110.97550	0.5
118.92082	0.9
119.08562	0.4
125.00005	1.5
133.10034	0.4
136.93140	2.3
154.94165	4.8
161.01245	0.6
162.94743	1.2
172.95236	6.0
180.95726	5.4
190.96301	2.8
198.96786	21.7
210.96780	2.2
216.97838	14.0
221.98425	0.7
228.97882	3.4
236.98404	0.6
239.99409	0.6
240.10004	2.3
254.99400	1.9
271.46512	0.5
282.04208	0.9
297.82669	0.4
300.05093	1.1
314.06955	0.5
319.15634	0.6
319.19397	12.2
337.20477	19.6
355.21619	0.9
360.22144	1.8
439.19214	1.5
443.18756	1.7
455.18866	1.0
473.19696	6.2
499.21384	4.5
502.26001	10.1
546.18304	0.5
558.28595	14.6
559.28711	0.6
565.75104	0.6
618.30737	9.8
618.40039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.05511	10.6
57.03447	3.7
57.07073	64.9
57.07334	4.1
67.05509	21.7
69.03429	44.7
69.07077	15.9
70.68298	5.3
71.04996	5.0
71.08265	4.9
71.08630	53.2
79.05509	5.1
81.03416	84.8
81.07055	38.7
83.08617	18.4
85.02900	34.4
85.10172	24.1
87.04465	42.8
89.06049	4.3
89.90837	2.6
91.05480	4.8
93.07058	5.1
95.04974	12.3
95.08596	44.8
97.02260	4.2
97.02892	81.6
97.03490	5.5
97.10183	15.0
99.04441	18.8
99.11658	2.6
105.07030	5.8
105.62523	2.8
107.08589	5.3
109.02879	45.9
109.06532	7.4
109.10151	18.9
121.06579	3.1
121.10133	3.1
123.11729	9.3
127.03903	72.8
132.00786	2.7
137.05989	10.8
137.13239	4.9
145.04953	32.1
145.10139	3.8
147.04439	4.8
165.05475	16.8
182.37254	2.7
183.06514	5.9
202.15942	3.4
239.23685	66.3
257.24771	7.4
349.38461	2.9
362.45935	2.8
383.27905	100.0
384.28244	4.0
401.29047	41.4
542.22290	7.8
618.40546	44.2
619.37665	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52020	5.8
55.05515	41.9
57.07073	10.8
67.05509	31.8
69.03432	10.8
69.07072	22.6
75.86610	4.9
79.05492	32.4
81.07054	49.2
83.04991	15.3
83.08631	48.4
85.06570	9.2
86.09671	6.6
87.04474	6.5
89.06082	6.4
91.05476	52.4
93.07046	61.7
95.04976	33.2
95.08616	36.3
97.06524	20.5
99.04467	6.7
105.07029	100.0
107.04949	7.9
107.08598	66.6
109.06519	16.8
109.10165	21.6
113.09641	12.9
117.07014	19.7
119.08582	78.9
121.06516	12.8
121.10148	42.9
123.08063	25.7
123.11724	7.6
125.09631	16.3
128.06236	11.0
129.07008	21.3
130.07799	8.0
130.75974	5.6
131.08560	50.7
133.10146	49.9
135.08055	10.1
135.11707	8.6
139.11205	10.7
141.07021	8.2
142.07756	24.9
142.52812	5.9
143.08566	43.5
144.09306	13.3
145.10121	77.7
147.08032	15.1
147.11676	17.4
149.09637	18.1
151.07526	9.1
155.08549	19.9
155.10683	13.7
156.09315	18.9
157.10118	47.7
159.08089	18.4
159.11697	31.3
160.08859	7.7
161.09616	10.7
163.11197	9.6
163.13620	5.7
165.06996	10.0
165.09111	18.1
167.08617	10.5
167.10681	16.1
169.10115	29.4
170.10872	11.5
171.11665	29.3
172.12216	5.2
173.09737	9.9
173.13263	20.7
175.11130	13.9
179.08586	9.2
179.14319	6.4
180.09544	5.2
181.10144	14.1
181.12230	19.5
182.10982	8.7
183.11700	25.1
184.07414	11.9
184.12431	6.8
185.13243	19.3
187.11148	10.7
187.14716	6.1
193.10127	12.8
194.11053	7.0
195.11726	26.1
196.12541	7.5
197.13284	33.1
199.11218	9.5
199.14836	14.6
203.14290	7.3
207.11743	10.4
207.13756	8.3
208.12617	7.0
208.14555	10.0
209.13300	25.0
211.14815	13.2
213.12755	6.8
213.16405	8.8
215.14359	11.2
221.13362	11.1
221.15253	34.3
223.14772	15.3
225.12802	8.0
225.14894	17.7
233.15379	23.3
234.16074	10.3
235.14876	11.3
237.16504	10.8
245.13095	5.8
247.14693	9.4
247.17061	7.7
249.16336	7.5
255.17450	18.1
271.20496	6.3
275.17700	6.9
277.37314	5.4
282.19598	6.2
285.18512	8.6
287.19995	22.0
299.20221	10.7
300.29080	6.8
352.23868	34.5
365.24585	5.9
367.26740	8.3
401.92825	6.2
525.35919	7.0
538.36530	41.7
600.41406	7.9
607.04620	6.4
618.42572	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61746	1.3
53.03932	1.9
55.01862	2.2
55.05504	29.7
56.96555	4.1
57.07074	5.2
58.06582	1.2
59.04982	3.0
60.08159	7.6
65.03931	3.5
67.05501	17.2
69.03432	7.1
69.07064	10.6
69.54012	5.4
71.04988	4.8
71.07362	4.1
77.24181	1.3
79.05486	19.0
81.07049	30.7
83.04980	11.8
83.08615	37.4
85.06543	6.0
86.09704	15.5
87.04459	3.3
91.05473	31.4
93.07035	39.4
94.07345	1.6
95.04959	24.6
95.08594	18.1
97.06525	14.0
99.04430	2.8
103.01646	1.4
103.05453	3.0
104.10738	100.0
105.07022	50.6
105.10998	2.0
107.04956	4.2
107.08587	37.8
107.09254	3.0
109.06525	9.6
109.10154	15.5
111.08125	3.7
113.09636	5.0
115.05453	4.1
116.06270	1.7
117.07021	14.6
119.04971	1.4
119.08576	47.9
120.09362	1.9
121.06526	8.6
121.10132	28.4
123.08060	12.9
123.11703	4.5
125.09604	13.9
128.06204	8.0
129.07007	14.7
130.07794	7.1
131.08554	26.2
132.09338	4.7
133.06461	2.2
133.10124	26.9
133.11043	2.6
134.07266	1.6
135.08040	7.9
135.11710	4.8
136.93085	2.2
137.09598	4.3
139.11186	8.3
141.06964	7.1
142.07802	14.9
143.08551	28.9
144.09364	7.5
145.06480	4.1
145.10120	44.5
147.08038	10.2
147.11700	12.2
149.09596	8.5
149.13263	2.7
151.07512	2.1
151.11148	2.3
153.06958	2.2
153.09190	1.5
154.07822	2.2
154.94179	5.5
155.06026	1.7
155.08524	13.1
155.10577	8.1
156.09329	11.9
157.10118	34.7
158.10866	4.7
159.08040	12.2
159.11674	21.0
160.08856	6.0
161.09668	7.6
161.13216	3.3
163.11263	3.3
165.06978	2.9
165.09143	2.2
167.08553	8.1
167.10674	9.8
168.09383	3.3
169.10100	17.2
169.12357	1.6
170.10870	4.8
171.07977	1.5
171.10211	2.4
171.11649	22.3
172.12251	1.7
172.95230	3.5
173.09592	6.7
173.13226	9.7
174.10411	2.0
175.11197	6.5
179.08527	7.5
179.14310	3.8
180.09303	4.5
180.95752	4.4
181.10107	13.2
181.12248	16.2
182.10957	7.8
183.11691	16.0
183.13464	2.0
184.12405	2.5
185.09572	2.6
185.13206	13.9
186.13873	1.4
187.11229	3.8
187.14807	4.5
189.12657	3.4
190.13300	2.3
191.14287	4.4
192.09375	3.3
193.10132	8.1
194.10934	7.0
195.11691	18.7
195.13521	2.2
196.12444	6.3
197.09676	3.2
197.13239	22.4
198.13972	2.3
198.96771	13.2
199.11188	2.9
199.14842	8.2
201.12750	1.8
203.14317	3.4
205.10231	3.4
206.10931	4.1
207.11713	10.0
207.13713	2.9
208.12442	5.4
208.14561	4.1
209.13258	16.0
209.15201	2.7
210.13997	2.5
211.11183	1.6
211.14862	14.2
212.15730	1.4
213.12711	2.9
213.16405	3.9
215.14322	11.6
216.97832	8.6
218.11006	1.8
218.16537	2.0
219.11705	4.7
220.12486	4.5
221.13210	8.1
221.15369	14.3
222.13986	2.4
223.14836	10.3
225.12714	3.7
225.14867	7.4
225.16664	2.8
227.14250	2.8
229.15836	3.9
231.11748	3.4
231.13821	1.6
232.12384	1.8
233.13255	2.5
233.15327	23.4
234.13873	2.6
234.15953	2.0
235.14833	6.5
237.16388	6.8
239.14320	3.3
239.17862	1.6
243.17456	1.4
245.13303	3.5
246.13997	1.8
246.16237	2.4
247.14684	4.9
247.16995	3.0
249.16344	5.9
251.18022	3.5
253.15773	2.5
255.17416	18.1
257.18915	1.7
259.14719	3.0
261.16330	4.5
263.17957	3.6
265.19595	3.1
267.17300	2.6
269.18973	4.1
270.19760	3.7
271.17065	2.9
273.18552	3.7
277.19598	2.3
281.18997	2.6
282.19781	2.0
283.01926	3.7
283.20697	4.1
285.18637	2.3
286.19281	3.8
287.20200	2.7
289.19443	2.4
293.18762	2.0
295.20337	3.1
299.19995	4.3
311.19919	2.3
319.19290	9.4
321.21936	1.8
331.24240	1.9
334.23007	1.8
335.23904	1.5
337.20517	11.0
337.25293	3.9
345.22214	1.8
347.23773	3.2
349.25336	2.9
360.24506	1.9
365.24661	2.7
367.26031	1.8
383.25732	6.7
399.26999	1.9
414.29202	2.8
457.31195	2.9
473.19748	1.9
499.21573	2.5
502.25803	5.8
558.28870	11.7
618.29767	2.8
618.42352	5.4
619.37817	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
54.99747	2.1
55.01860	3.4
55.05513	42.9
57.07077	6.6
59.05006	3.9
59.84597	2.1
65.03943	4.8
67.05503	32.6
69.03427	15.5
69.07059	16.6
71.04986	8.1
77.03953	2.5
79.05489	34.4
81.03405	2.5
81.07053	45.6
83.04988	18.8
83.08617	59.2
85.06542	7.8
87.04496	2.8
91.05473	60.2
93.07040	66.9
95.04965	34.4
95.08603	41.3
97.06522	25.0
99.04448	5.1
99.08143	2.6
103.05477	5.6
104.10704	2.3
105.04540	4.2
105.07026	100.0
106.07884	3.2
107.04958	8.0
107.08590	62.8
109.06531	16.5
109.10156	29.8
111.08107	6.6
113.09647	8.0
115.05443	5.5
116.06224	3.9
117.07009	25.6
119.08582	79.9
121.06532	12.8
121.10149	56.3
123.08080	20.8
123.11700	7.3
124.04007	2.2
125.09616	18.6
127.11143	2.3
128.06209	13.5
129.06982	22.7
130.07784	8.4
131.08565	45.2
131.44391	2.3
132.09380	5.4
133.06485	5.4
133.10132	49.0
135.08043	14.6
135.11653	8.8
137.09624	6.6
139.11169	11.7
141.06976	13.3
142.07768	23.4
143.08562	50.8
144.09332	11.2
145.06468	6.3
145.07591	2.6
145.08968	4.4
145.10121	79.8
146.10658	2.1
147.08041	15.2
147.11674	22.2
149.09619	14.7
150.10368	2.8
151.11160	4.1
153.06953	2.7
153.09140	2.7
154.07674	4.3
155.08563	19.0
155.10637	12.0
156.09346	22.1
157.10136	63.8
158.10899	7.9
159.08099	14.2
159.11684	34.8
160.08865	15.3
161.09622	12.8
161.13283	6.5
163.11209	12.6
163.12460	2.1
165.07005	8.7
165.09116	4.2
166.07773	3.8
167.08583	10.2
167.10706	20.5
168.09293	5.4
169.10138	29.3
169.12296	2.9
170.10939	11.3
171.10231	6.1
171.11656	35.8
172.08772	2.4
172.12320	4.1
173.09627	12.7
173.13249	19.4
175.11194	10.4
175.14828	5.0
177.12784	2.7
179.08562	9.2
179.14223	5.4
180.09309	7.0
181.10150	18.2
181.12230	25.3
182.10916	13.7
183.11691	22.2
184.12469	5.6
185.09630	6.9
185.13231	21.6
186.14098	4.9
187.11206	7.9
187.14857	8.9
189.12785	6.1
190.13539	3.0
191.14323	10.4
192.09315	4.5
193.10147	13.2
194.10861	10.4
195.11711	28.1
196.12474	10.9
197.13240	40.4
198.14063	4.6
199.11235	5.6
199.14758	16.0
200.15492	2.7
201.16345	3.6
203.14270	7.0
205.10135	2.9
205.15915	2.8
206.10875	5.6
207.11693	15.7
207.13831	7.5
208.12491	8.3
208.14487	2.9
209.13246	22.3
209.15057	4.0
210.13921	4.8
211.11287	2.6
211.14815	22.2
212.15457	3.8
213.12740	8.4
213.16409	7.4
215.14349	19.1
217.15932	3.0
218.11041	2.6
218.16747	3.0
219.11787	7.9
220.12491	5.7
221.13249	15.9
221.15385	24.7
222.13899	3.2
222.15886	3.4
223.14790	18.4
225.12746	7.3
225.14870	18.0
225.16545	6.3
226.13243	2.6
227.14268	11.2
231.11652	4.8
232.12495	3.0
233.13187	8.9
233.15399	43.0
234.13972	2.9
234.16116	4.7
235.14832	12.7
235.16922	3.7
237.12659	2.6
237.16644	11.5
238.16913	2.9
239.14207	4.0
239.17967	3.3
245.13228	5.7
246.13972	3.5
247.14799	5.8
247.17000	7.2
248.15536	3.8
249.16396	8.2
250.17163	2.9
251.18059	6.7
253.16013	5.2
253.19617	4.0
255.17438	32.3
257.19034	4.6
259.14847	5.7
260.15381	2.6
261.16431	8.3
262.17096	2.5
263.18063	5.1
265.19580	4.3
267.17563	5.5
269.18936	4.2
270.19769	8.8
271.17139	3.5
271.20557	6.1
273.16144	4.4
273.18683	3.7
275.17859	3.4
277.19675	4.1
281.19006	6.3
282.19742	5.5
283.20560	4.5
286.19351	4.7
287.20337	2.7
289.19495	3.7
291.21106	3.2
294.19766	3.4
295.20532	3.8
297.18842	2.6
297.22122	3.5
298.19208	5.0
299.20160	6.7
307.20490	2.5
319.20410	2.9
331.24326	2.9
337.21591	2.8
337.25449	6.9
345.22058	4.8
347.23648	3.4
348.24524	4.0
349.25250	5.1
360.24496	3.7
365.24817	6.3
367.26413	5.8
383.25897	12.0
401.28238	2.8
414.29132	3.2
582.40070	2.8
600.41583	8.6
618.34796	5.4
618.42596	9.0
619.38300	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	619.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02352	0.9
73.32276	0.9
85.02934	1.1
86.00488	1.0
89.06192	1.1
89.63267	1.0
96.05337	1.1
119.01908	1.1
145.02864	1.2
145.23517	0.9
161.97490	1.0
163.03917	1.4
185.04211	2.1
208.32375	1.0
208.49089	1.1
209.11479	2.4
271.04221	2.4
273.85669	1.3
333.44098	1.0
371.16739	75.5
372.17154	2.0
377.50467	1.1
395.16782	1.8
413.17819	26.5
439.15698	2.7
457.16794	89.9
458.17667	2.1
460.03317	1.1
575.22992	22.7
576.23645	1.5
619.22058	100.0
620.22333	5.2
648.35510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02352	0.9
73.32276	0.9
85.02934	1.1
86.00488	1.0
89.06192	1.1
89.63267	1.0
96.05337	1.1
119.01908	1.1
145.02864	1.2
145.23517	0.9
161.97490	1.0
163.03917	1.4
185.04211	2.1
208.32375	1.0
208.49089	1.1
209.11479	2.4
271.04221	2.4
273.85669	1.3
333.44098	1.0
371.16739	75.5
372.17154	2.0
377.50467	1.1
395.16782	1.8
413.17819	26.5
439.15698	2.7
457.16794	89.9
458.17667	2.1
460.03317	1.1
575.22992	22.7
576.23645	1.5
619.22058	100.0
620.22333	5.2
648.35510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49974	1.9
56.96547	2.0
57.03435	5.4
61.02906	3.1
66.87131	1.9
68.36964	1.9
69.03426	7.2
69.72967	5.2
70.06584	4.4
73.02918	14.5
77.24251	2.0
85.02885	5.3
96.40085	2.2
97.02917	3.6
106.27457	2.2
115.03944	2.3
127.03915	2.6
136.36108	2.0
140.04692	5.9
152.69444	2.0
153.05403	4.0
171.06535	5.0
181.04948	100.0
182.23167	2.3
232.97507	2.1
271.12173	3.4
287.03592	2.6
343.10266	29.1
475.14105	3.4
621.21698	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	620.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23785	0.2
53.03940	0.3
55.01855	0.4
65.03949	1.7
67.05482	0.6
69.03417	1.3
69.07059	1.0
73.29172	0.2
81.03380	0.4
82.04192	0.4
85.02898	3.1
87.04491	0.3
91.05476	0.5
93.03401	0.5
95.04939	0.6
97.02887	3.3
97.06539	0.6
99.24001	0.2
103.05458	0.4
105.07034	0.4
108.02084	0.4
110.03644	0.9
111.04453	0.4
111.11703	0.5
115.03896	0.9
115.05373	0.5
119.04939	0.3
120.93095	0.2
121.10085	0.2
125.05980	0.7
127.03900	0.3
133.06480	0.4
137.05978	1.3
138.03131	0.7
140.04712	0.6
142.02631	0.4
145.05005	0.5
145.06412	0.5
149.88522	0.3
153.05447	3.0
160.05118	0.3
161.05989	1.2
167.07040	0.4
171.06509	3.2
177.05486	0.3
178.06233	0.4
179.07028	0.5
181.04945	100.0
182.05312	1.5
188.04735	0.4
191.06998	0.7
193.08620	0.4
206.05650	0.5
207.06526	4.6
221.08073	2.4
223.06044	1.0
224.42981	0.2
233.08049	1.3
235.05995	17.6
236.06395	0.3
249.07654	1.0
251.05441	0.6
251.09160	0.4
265.07001	0.3
266.22205	0.3
277.06989	1.9
295.08121	20.0
296.08521	0.6
313.09161	23.5
314.09619	0.5
349.49573	0.3
379.95905	0.2
553.98157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	73.6
69.07049	1.8
71.06796	1.3
71.19655	1.7
73.06541	2.6
79.05486	1.3
83.08573	1.6
87.04470	18.1
89.06028	100.0
90.06306	1.1
91.05478	9.7
91.07619	1.9
93.07056	8.0
95.04977	5.1
97.03799	1.2
98.09677	2.9
103.05448	1.8
105.04498	1.4
105.07030	3.3
107.04908	2.1
107.07095	2.5
107.08604	2.7
109.21871	1.3
113.13271	2.6
116.10722	1.7
117.07021	3.0
118.07797	4.8
119.04945	4.3
119.08611	4.9
121.06502	31.0
121.10123	1.2
130.08678	2.0
131.07037	5.0
133.08604	68.0
135.08070	5.3
147.08034	12.4
149.09602	4.5
150.06743	3.8
159.11752	2.6
163.11252	2.4
165.09106	12.7
173.09616	1.7
175.09692	4.1
177.11253	26.8
177.12737	3.3
191.10669	6.3
193.16823	1.3
209.11757	5.9
211.13283	3.6
221.13875	5.3
233.18974	19.9
235.13292	2.8
247.20872	1.3
259.20670	3.7
277.21652	30.3
303.22940	2.1
321.24152	9.8
406.29105	1.4
491.28287	9.5
588.20270	3.7
603.40961	15.4
620.43951	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28251	1.0
55.05511	1.5
57.07081	1.2
67.05500	3.2
69.07066	2.2
73.41348	1.2
79.05492	1.4
81.07057	2.8
83.08631	1.2
85.89877	1.2
91.05480	3.9
92.04748	1.1
93.07099	2.1
95.08617	1.9
105.07034	2.4
119.08559	2.1
120.08958	1.1
121.10152	1.2
130.32928	1.1
131.08575	2.4
133.10161	1.4
143.08496	1.5
145.10178	1.3
147.39793	1.2
200.25397	1.2
204.06342	1.5
209.92099	1.1
211.16866	1.2
222.07040	1.2
249.30428	1.2
273.57990	1.3
344.90118	1.1
357.43756	1.3
387.16022	1.3
389.17343	1.8
402.18518	1.3
403.19357	5.2
404.20047	1.6
405.21124	2.4
415.15305	2.0
416.15930	2.3
416.20868	1.7
417.16281	2.1
417.21719	5.4
418.21732	2.6
419.22418	4.1
430.17969	4.5
431.18399	11.1
432.19595	3.9
433.23932	3.5
444.19415	3.9
445.19986	16.4
446.21024	5.2
447.21359	5.6
457.19955	1.7
459.21848	7.6
460.22864	9.7
461.23410	9.5
477.22549	2.2
492.24374	2.0
503.20700	2.0
505.22089	10.3
517.22516	2.7
518.23090	2.2
519.24023	1.9
532.24860	1.9
533.25574	23.3
534.25781	1.6
561.24902	4.9
563.23096	4.8
564.22882	1.8
577.24786	4.2
592.26691	18.4
593.27557	30.6
594.27527	2.7
621.27063	100.0
622.27435	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63935	1.1
62.61358	1.2
69.09698	9.4
69.10059	1.2
85.21442	1.3
108.38165	1.3
113.52531	1.4
126.95914	1.3
179.97012	1.2
187.11940	1.4
209.10884	1.6
261.69159	1.3
311.42615	1.4
347.64880	1.5
375.16107	2.6
387.16125	2.9
388.17157	2.4
389.17612	9.4
390.18475	3.0
391.18994	2.7
401.17892	3.5
402.18677	2.9
403.19403	11.1
404.20068	7.4
405.20599	6.1
415.15488	1.6
416.16241	4.4
417.16135	10.8
417.21219	5.6
418.17624	4.2
418.22253	2.1
419.22318	19.6
420.22989	4.8
429.16782	1.5
430.17630	2.3
431.17938	18.6
432.18875	7.9
433.20456	8.6
445.20096	16.4
446.20856	23.3
447.21786	36.7
448.22717	1.8
458.21240	1.8
459.22937	7.9
460.22888	2.8
461.19946	4.0
473.24350	3.6
474.20413	23.0
475.21161	29.0
476.22012	3.1
487.21335	8.8
488.22061	2.8
491.19992	6.2
501.22784	7.4
505.25754	5.6
518.22992	1.6
519.20380	2.7
529.22406	2.6
533.25415	49.3
534.25726	3.9
546.21423	1.6
561.24951	60.3
562.25476	3.5
593.27698	8.2
621.27014	100.0
622.27246	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05509	0.9
67.05512	0.7
77.86610	0.6
79.05483	1.1
81.07013	0.7
91.05492	0.9
93.07011	0.7
95.04968	1.0
98.23543	1.3
105.07014	1.2
139.22018	0.7
229.60872	0.7
375.16125	1.4
388.17184	1.4
389.17691	3.9
390.18375	2.1
401.17566	1.0
403.19397	5.8
404.19962	2.4
405.20773	2.7
415.19565	0.9
416.15961	1.0
417.16156	5.2
417.21246	2.6
419.22244	9.8
430.17355	1.0
431.18018	6.9
432.18915	3.5
433.20093	3.1
445.20065	8.7
446.20996	9.6
447.21692	11.3
459.21881	3.2
460.18030	1.4
460.23334	1.1
461.19702	1.4
473.24048	1.4
474.20282	7.7
475.21222	9.4
487.21155	3.7
488.21735	1.1
501.22800	2.2
505.26129	1.2
533.25470	14.1
561.24921	22.5
562.25238	2.3
589.24500	1.4
593.27484	3.5
621.26996	100.0
622.27240	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.30901	0.7
60.57130	0.7
67.05495	0.8
70.71778	1.4
125.20648	0.7
149.74005	0.7
155.53880	0.7
163.91640	0.7
207.09163	1.2
209.10641	0.8
300.15393	0.9
373.14502	0.9
374.15549	0.9
375.16006	1.6
387.16150	1.4
388.16888	2.7
389.17609	5.6
390.18344	4.1
391.19254	1.4
401.17700	2.2
402.18411	2.6
403.19467	9.4
404.20026	4.1
405.20645	3.0
414.18546	0.8
415.19366	1.4
416.16153	2.1
416.20679	1.0
417.16971	6.9
417.20990	5.6
418.17270	1.3
418.21979	1.6
419.22287	13.4
420.22910	1.5
429.16635	0.9
429.21692	0.9
430.17911	2.9
431.17886	11.4
432.18777	4.1
433.19962	3.6
443.18500	1.2
444.19586	1.3
445.20041	12.2
446.20947	7.8
447.21762	14.8
448.22345	1.2
457.20352	1.0
458.21017	0.9
459.21841	4.8
460.23343	0.9
461.19476	1.3
473.19043	1.5
473.24371	1.1
474.20294	14.0
475.21234	20.5
476.21625	0.9
477.22888	0.9
487.21353	4.6
488.21973	1.9
501.22916	2.7
505.25702	2.6
517.22205	1.2
520.25195	0.9
533.25439	14.5
534.26080	1.1
546.22974	1.6
547.22858	0.9
561.24921	90.9
562.25220	6.9
589.24438	2.6
593.27820	5.1
614.50555	0.9
621.27008	100.0
622.27533	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	622.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01876	7.7
57.03455	4.1
63.34288	3.5
69.03423	18.0
70.38478	8.2
71.04986	8.0
73.02911	9.9
81.03404	27.9
85.02892	74.9
87.00812	23.2
91.05482	5.4
95.04943	3.1
96.24132	3.4
97.02892	43.2
99.04433	12.1
105.01826	22.4
109.02860	35.8
115.05442	14.2
117.01841	5.7
117.07014	4.5
123.04374	3.4
127.03899	55.0
128.06279	3.7
129.07011	9.1
130.37225	3.8
131.04865	6.4
133.35681	3.3
133.67744	3.0
135.04410	97.5
136.04776	3.4
137.05952	71.1
143.04904	33.2
145.04979	33.7
145.06317	17.4
157.06485	10.5
159.02890	24.1
159.04314	6.0
160.05161	8.6
161.06058	5.6
173.05962	100.0
175.07529	56.0
185.05960	46.4
187.07539	29.9
189.09109	6.7
203.07037	38.0
205.08572	15.3
215.07083	4.1
217.08664	6.6
231.05000	9.0
231.07976	7.1
233.08058	55.1
235.09596	14.1
263.10724	4.0
268.07257	4.8
269.08038	13.4
277.08591	3.8
289.08652	7.4
291.09891	3.5
309.11124	5.3
313.84888	3.6
321.11176	16.6
323.12976	4.5
339.12167	30.3
467.05441	4.3
472.83432	3.7
578.26727	3.7
607.18494	3.7
622.25293	14.0
622.34680	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	622.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.07066	6.0
58.06591	1.1
62.06081	4.7
63.78450	0.5
67.05486	0.8
69.53059	2.4
71.08627	3.2
80.29215	0.5
84.96210	0.5
85.10162	1.0
92.76612	0.5
97.80276	0.5
98.23387	1.1
135.15021	0.5
136.06223	0.7
143.35716	0.5
161.63789	0.5
166.95706	0.5
173.61388	0.4
212.23705	3.0
230.24767	100.0
231.25128	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29604	0.7
55.01859	1.2
55.05500	5.1
55.62271	0.7
57.03412	1.1
61.02475	0.8
67.05499	8.8
69.07051	4.1
69.76224	2.4
79.05486	8.6
81.03422	1.2
81.07048	7.0
83.08619	2.0
91.05474	7.3
93.07037	6.9
95.04932	1.9
95.08600	5.4
97.10149	2.7
98.23388	1.5
104.26745	0.7
104.51698	0.7
105.07023	6.2
107.04907	1.2
107.08598	4.0
109.06490	1.3
109.10135	2.5
115.05421	0.7
117.07008	2.6
119.08574	5.2
121.06488	0.7
121.10143	1.8
125.09583	1.5
129.06973	2.1
131.08510	3.5
133.10109	3.2
135.11682	1.1
141.06935	2.3
143.08539	2.9
145.10143	4.1
147.11658	1.1
149.09605	0.9
155.08521	2.9
157.10092	2.1
159.07932	1.0
159.11699	1.5
161.09656	1.2
163.11232	0.8
165.06946	1.0
167.08549	1.6
169.10039	2.2
171.11632	1.4
173.83257	0.8
179.08459	1.1
181.10075	1.1
183.11658	2.3
185.13234	1.5
195.09154	1.1
195.11613	2.1
197.13242	1.3
207.09207	0.9
209.10616	0.7
209.13174	1.4
211.08389	0.8
215.14400	0.8
223.14728	0.9
225.16505	1.0
227.12570	0.7
235.12294	1.1
237.13878	1.3
257.18768	0.8
275.20139	1.5
287.11795	1.0
291.19272	1.9
299.23972	0.9
326.83868	0.7
363.16217	1.2
369.09299	0.9
375.16470	1.2
376.16785	1.2
377.17633	3.9
386.15302	1.1
387.15836	1.5
389.17456	2.6
390.18869	1.3
391.19293	5.2
392.19833	3.0
393.20511	2.6
399.15942	2.8
400.16794	2.4
401.17783	6.1
402.18301	1.6
403.19061	3.4
404.15848	1.2
405.16483	2.5
405.20596	3.1
406.21600	1.2
407.22275	5.2
411.16263	1.5
413.17545	2.8
414.18924	3.6
415.19501	8.1
416.19751	2.4
417.20279	2.7
418.17361	1.2
419.18265	4.5
420.18686	0.9
421.19888	2.9
425.17557	1.2
427.19333	2.0
428.20654	3.9
429.15921	1.7
429.21487	6.3
430.21991	4.8
431.18439	3.1
432.19437	2.0
433.15540	1.1
433.24268	1.6
435.21674	3.5
436.22330	0.8
443.17316	1.4
443.22177	5.0
444.18994	6.8
445.19611	2.6
445.24390	1.7
446.20859	1.5
447.16977	4.1
448.18533	1.6
449.19455	2.2
456.19247	2.2
457.20035	2.7
458.20779	3.7
459.17535	2.0
461.19070	5.3
462.20358	5.4
463.21109	5.8
471.22360	10.1
472.22412	2.4
473.18228	4.0
473.23718	2.4
474.20218	2.5
475.16202	1.1
475.20911	5.5
476.22440	1.0
477.22336	4.7
479.24686	1.4
484.18808	2.0
485.19528	3.5
486.20377	5.9
487.24655	2.4
489.23630	8.8
490.19254	5.8
491.19489	4.0
499.21259	20.8
500.17334	1.8
501.23242	8.5
502.19720	1.8
503.20355	6.6
507.23422	3.3
508.24377	1.4
511.21292	1.9
513.19025	2.5
517.22284	14.6
518.23035	1.5
521.22070	1.2
523.27209	0.9
527.20648	3.0
529.22211	12.6
531.20721	1.0
535.23016	5.2
536.23895	1.1
545.21692	56.8
546.21893	3.0
547.27185	4.2
549.24933	5.3
550.25769	7.0
555.19647	2.1
559.22296	0.9
563.22119	4.4
564.23065	2.2
573.21204	15.5
579.29413	2.9
591.26459	4.1
595.25140	2.0
605.23816	100.0
605.40955	3.8
606.24060	6.3
623.24860	90.1
623.41846	16.0
624.25323	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	623.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01031	0.5
55.05502	0.9
56.29842	0.5
62.20022	0.6
67.05501	1.8
69.07058	0.7
69.23066	1.5
69.23482	1.5
79.05486	2.2
81.07055	1.8
91.05484	1.2
93.07028	1.4
95.04966	0.9
95.08605	0.8
105.07033	1.7
107.08601	1.0
109.06475	0.6
117.06966	0.9
119.08609	0.9
129.07002	0.6
131.08574	0.7
133.10118	0.7
139.94260	0.5
143.08504	0.5
145.10133	0.7
159.11673	0.6
190.20049	0.5
195.09215	0.5
198.09009	0.7
208.14005	0.6
217.12016	0.5
221.10672	0.7
249.10208	0.6
275.20081	2.0
340.10510	0.7
362.16043	0.6
375.16739	1.0
376.17020	1.1
377.17618	2.0
378.18280	0.8
387.15848	1.1
388.17551	0.6
389.17917	1.4
390.18671	0.8
391.14755	0.6
391.19263	3.6
392.19751	2.4
393.20691	1.9
399.16196	1.3
400.17020	1.3
401.17667	3.0
402.18506	1.7
403.19046	1.0
405.20679	2.2
407.22256	3.0
409.40530	0.7
413.17676	1.4
413.64917	0.6
414.18597	1.5
415.19473	3.3
416.20187	1.3
418.18045	1.0
419.18628	3.1
421.20200	1.3
427.19388	1.1
428.20319	1.2
429.16385	1.0
429.21527	1.1
430.21979	0.9
431.18704	2.2
432.19543	1.1
433.15857	1.3
433.20883	1.2
434.20880	1.0
435.21823	2.6
443.17896	1.1
443.23343	1.0
444.19623	2.7
445.20285	1.4
446.20670	2.0
447.17471	3.4
448.18958	2.0
457.20941	0.9
458.21054	1.9
459.17477	1.6
459.23199	0.7
460.18826	0.9
461.19406	4.2
462.20517	2.2
463.20853	3.0
468.04300	0.6
471.22327	5.0
472.18411	0.6
472.23129	0.7
473.19122	3.9
474.20331	2.6
475.17181	1.8
475.21616	2.2
476.17786	0.7
483.22012	0.8
485.19522	3.1
486.20483	3.6
488.21933	0.6
489.22720	6.0
490.19202	4.8
491.20389	4.2
493.22284	1.2
499.21472	9.6
500.17859	1.1
501.23502	3.6
502.20013	1.0
503.20535	4.7
507.23874	2.2
508.25073	0.8
511.21094	1.0
513.19318	4.1
514.19922	1.3
516.21503	1.4
517.22363	15.6
518.23358	0.9
519.20496	0.7
527.21082	1.6
529.22479	7.1
531.20245	2.5
535.23328	3.5
536.24072	1.1
545.21790	23.6
546.22070	2.0
563.22479	2.9
564.22992	3.2
573.21295	8.7
574.21454	1.0
577.24420	4.1
591.22406	5.2
595.25525	1.0
605.23883	51.2
606.24017	3.3
623.24927	100.0
623.42505	3.5
624.25159	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43780	0.7
51.51824	0.6
52.32633	0.5
58.49454	0.6
69.73055	1.7
69.73393	0.7
81.07035	0.9
98.22693	0.9
198.50090	0.6
223.12323	0.8
261.13806	0.6
262.75909	0.6
371.59598	0.7
375.16534	0.7
390.18463	0.8
391.19266	1.5
392.19583	1.1
400.16943	0.8
401.17868	1.1
402.18604	0.8
403.19366	1.5
404.20621	1.3
405.20718	4.2
406.21155	1.6
406.41507	0.7
414.18695	0.8
415.19183	3.8
417.21039	1.3
419.17758	1.1
419.22324	2.0
420.23184	2.1
421.24045	3.0
427.19186	0.8
429.20798	3.6
430.21802	1.8
431.22693	1.0
433.19293	3.4
433.25168	1.0
440.20117	0.7
442.21622	1.0
443.22461	1.0
444.23276	1.8
445.19894	3.3
446.20889	1.2
447.18246	3.6
448.22659	1.1
457.23923	2.7
459.21796	3.1
460.22662	4.9
461.19382	12.5
462.20334	1.1
470.21118	0.9
472.22464	1.1
473.19412	1.6
474.20285	0.8
475.20535	3.9
476.21927	9.6
477.21774	1.0
485.23538	8.3
486.20663	2.6
488.22104	2.5
489.22931	1.9
497.23700	0.9
500.21927	1.0
503.24487	8.3
504.25107	0.8
513.22443	0.9
515.24500	6.7
521.25494	7.2
531.23889	16.8
531.31677	1.2
532.24231	1.0
535.23462	1.7
541.22388	0.9
545.25519	1.2
549.24896	11.2
550.25043	0.8
559.23303	6.5
563.26062	2.7
591.25977	43.5
592.26331	3.5
623.28540	100.0
624.28967	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02669	0.7
77.45144	0.5
94.96131	0.6
95.18559	0.6
98.23495	1.5
153.80991	0.7
164.55240	0.6
167.91135	0.7
185.08992	0.6
195.80009	0.7
209.10680	0.8
209.32133	0.6
210.11516	0.8
221.10719	0.8
222.11365	0.6
225.13776	0.7
241.19121	0.6
251.15457	0.7
259.12228	0.7
273.13803	0.9
286.36414	0.7
287.15543	0.6
312.14883	0.8
373.15570	0.7
374.16452	1.1
375.17316	0.6
376.17044	1.9
377.17706	2.6
378.18546	1.8
379.19092	1.0
385.14554	1.0
387.16107	1.3
388.17786	1.4
389.18295	2.4
390.18484	2.8
391.19138	6.5
392.19836	6.3
393.20935	2.6
394.21396	0.9
398.15973	0.6
399.16177	2.5
400.16910	3.0
401.17764	3.7
402.19135	1.6
403.19626	2.2
404.20477	3.2
405.20825	9.4
406.21420	7.8
407.22253	23.3
408.22559	0.8
412.17517	1.4
413.17645	5.1
414.18347	6.0
415.14792	0.7
415.19324	8.1
416.19922	1.9
417.20898	2.4
419.17752	1.4
419.23083	3.5
420.23206	4.9
421.23859	18.9
422.24649	5.4
427.19202	3.6
428.20142	6.1
429.20908	21.7
430.21802	6.3
431.17734	1.5
431.22513	1.8
432.18991	1.5
433.19772	2.5
433.24094	2.9
441.16528	0.9
441.21692	1.1
442.21884	3.8
443.22577	14.3
444.23471	9.6
445.19739	4.2
447.18195	3.6
449.23187	1.9
455.18802	2.5
456.19266	2.7
457.23853	6.8
458.25049	12.8
459.21713	12.4
460.22647	5.3
461.18762	8.2
462.20456	3.7
463.21289	2.3
470.21323	3.5
471.22418	4.0
472.22745	12.1
473.19092	2.0
473.23410	3.3
474.20428	1.4
475.20993	9.5
476.21555	7.9
477.22440	5.4
483.18237	1.4
484.18463	1.2
485.23483	22.8
486.20639	3.1
486.23969	4.5
487.21027	2.6
487.25793	0.7
488.21887	2.7
489.22876	5.6
490.23901	1.0
493.26297	1.1
499.21307	6.8
500.21976	4.2
501.22717	2.1
502.23792	1.7
503.24390	14.1
504.24832	1.3
507.24307	1.2
508.28204	1.5
513.22919	6.4
514.23456	2.4
515.24384	1.7
517.26270	12.8
518.23779	0.9
521.25500	2.8
529.25983	2.8
531.23859	2.1
535.26984	6.7
545.25458	100.0
546.25568	6.5
562.26068	0.9
563.26453	1.0
564.27136	2.8
573.24860	24.5
574.25098	2.3
591.25854	1.8
605.27576	64.9
606.27966	3.9
623.28583	56.8
624.28888	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78688	1.1
71.21450	1.5
81.07041	1.3
85.20400	1.1
98.17249	1.1
118.99067	1.3
147.50299	1.2
169.84601	1.2
211.12454	2.1
223.12355	1.7
224.13135	2.0
237.10182	1.3
269.44913	1.4
371.64325	1.4
410.84302	1.3
417.17300	1.9
419.18591	2.0
432.19522	1.8
433.20169	4.3
446.17264	1.7
447.21802	2.6
448.22357	2.4
459.22089	2.0
475.21292	5.0
476.22141	9.9
485.85773	1.4
489.22638	3.1
503.24316	2.5
521.22607	1.3
531.24042	2.6
533.21893	1.9
535.23505	3.4
540.63306	1.4
548.24109	5.9
549.25372	6.7
552.94641	1.5
563.26514	3.1
565.24719	1.9
591.26123	2.0
608.26324	2.6
623.28540	100.0
624.29053	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17673	0.7
95.08636	0.9
124.14257	0.8
200.75151	0.7
229.98576	0.7
253.13475	0.7
339.13370	0.8
370.64655	0.7
389.18494	0.8
391.19382	0.7
404.21027	1.3
405.20929	2.4
415.19354	2.4
417.21133	0.9
419.22699	0.9
420.23392	1.4
421.23825	1.9
428.20490	0.7
429.20816	2.8
430.21973	1.8
433.19479	1.1
434.24899	1.0
440.21109	0.9
443.22827	1.1
444.23428	1.7
445.20364	1.7
447.18222	2.5
448.22723	1.6
456.19724	1.1
457.24152	3.5
459.21555	3.1
460.22836	4.1
461.19308	9.9
472.22778	2.3
473.19617	0.7
475.21460	2.3
476.21951	14.3
477.21988	1.0
477.27374	1.0
485.23465	9.7
486.20743	2.5
487.21399	0.6
487.25674	1.0
488.22165	1.8
489.23019	2.1
491.20609	1.3
493.26157	0.8
500.22281	1.3
503.24506	11.3
505.22314	1.0
513.22919	1.6
515.24438	8.5
521.25458	9.5
529.22247	0.8
531.23944	21.2
532.24255	1.4
535.23547	1.7
536.23883	2.6
541.22040	0.9
545.25836	1.0
549.24927	14.9
550.25555	0.9
559.23346	7.3
563.26263	3.4
564.26874	1.5
573.21387	0.8
591.26105	49.6
592.26471	2.1
605.24017	0.8
623.28552	100.0
624.28693	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
67.05502	1.1
79.05500	1.3
81.07073	1.3
91.05505	1.3
92.72540	0.3
93.07050	1.3
95.08618	1.2
105.07023	1.8
107.08557	0.8
109.06460	0.4
109.10212	0.6
111.99326	0.3
117.07068	0.5
119.08607	0.5
123.11787	0.3
127.34410	0.4
131.08551	0.7
133.10184	0.7
135.11803	0.6
143.08556	0.5
145.10135	0.6
147.11754	0.5
149.09621	0.4
169.10069	0.3
180.61278	0.4
183.11726	0.4
189.07193	0.4
197.13333	0.4
275.20209	1.1
375.16452	0.5
387.16373	0.7
388.16910	0.8
389.17685	1.5
390.18369	0.7
391.19333	0.4
395.47336	0.5
401.17920	1.1
402.18774	0.5
403.19702	2.4
404.20239	0.7
405.20856	1.4
415.19690	0.8
416.19824	1.3
417.16895	1.5
417.21652	2.4
418.17261	0.7
418.22079	0.7
419.22559	4.4
420.23093	0.6
429.16837	0.7
430.17896	1.2
431.18729	3.3
431.22946	2.1
432.19595	1.6
433.20383	2.3
435.21951	0.6
443.18576	3.6
444.19547	1.3
445.20078	9.0
446.20898	5.0
447.22086	5.5
449.23422	1.7
450.23737	0.4
456.19330	0.5
457.20428	1.1
458.21088	1.3
459.21948	3.3
460.22559	1.3
461.19867	1.3
462.20300	2.2
463.21069	2.8
473.23450	0.7
475.21417	2.6
476.22000	5.2
477.22955	6.2
489.23193	1.8
490.23557	0.9
491.20126	0.8
503.25104	0.8
505.22263	0.7
505.25909	0.6
508.24866	0.4
521.21985	0.7
533.25439	13.9
533.33191	0.8
534.25507	0.7
535.23785	0.8
536.24353	0.5
545.25464	1.3
549.25201	0.4
563.26599	17.0
564.27142	0.8
565.28076	0.5
591.24420	0.5
592.26801	0.6
593.27637	3.6
605.26672	1.4
605.42023	0.7
623.28613	100.0
624.28857	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
67.05508	0.9
69.15119	0.7
69.66947	1.9
79.05499	0.7
81.07056	1.1
91.05481	0.9
93.07033	0.7
98.23431	0.6
105.07001	1.1
105.12032	0.6
146.92946	0.6
182.79742	0.6
239.52919	0.6
377.17572	1.4
389.17914	1.4
391.19208	1.3
401.17780	1.2
402.18338	1.1
403.19269	2.5
404.20200	1.4
405.21106	3.2
406.21451	0.8
407.22382	0.7
413.17508	0.8
415.19272	2.0
416.20242	0.9
417.16876	2.2
417.20938	2.6
418.17566	1.2
419.22900	3.6
420.23117	0.9
429.21326	1.0
430.17999	2.2
431.18091	4.3
432.19131	1.7
433.20139	5.8
434.20691	1.1
435.21918	1.3
443.18124	3.0
444.19092	3.0
445.20047	6.3
446.21030	2.7
447.21881	5.0
448.22791	1.3
449.23370	1.0
457.20663	0.8
458.20834	6.7
459.21695	6.1
460.22910	4.5
461.19226	1.1
462.20029	0.9
463.21384	2.2
473.23608	1.2
475.21472	2.0
476.22134	1.9
477.22986	2.3
491.24893	1.2
518.22986	4.4
519.24115	1.4
521.22571	0.9
532.24579	0.8
533.25507	6.4
535.24023	0.8
537.97455	0.7
545.25702	2.2
546.26447	1.1
563.26294	4.8
591.25830	2.3
605.27441	8.9
623.28577	100.0
624.28766	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47214	0.5
53.92582	0.6
54.08399	0.5
59.13123	0.6
60.41830	0.5
69.07055	0.7
69.85172	1.9
79.05489	1.1
81.07049	0.9
91.05472	1.3
93.07059	0.9
105.07017	0.9
106.06590	0.6
119.08591	1.1
121.10164	0.6
389.17624	1.3
391.19220	2.1
392.20093	0.8
402.18817	0.6
403.19241	1.6
404.20084	1.0
405.20807	2.3
406.21524	1.3
407.22348	1.0
415.19571	1.0
417.16672	1.5
417.21576	0.9
419.18707	2.6
419.22842	2.3
421.24326	1.5
431.18066	1.6
431.23300	1.1
432.19415	1.1
433.19489	3.6
434.21219	1.7
435.21820	0.8
443.18555	1.2
444.19452	0.9
445.20181	4.3
446.21106	1.6
447.22455	3.2
448.22803	1.6
449.23560	3.9
458.20895	1.8
459.22171	4.3
461.19931	2.9
462.20224	1.1
463.21542	1.8
475.21292	2.3
476.21771	4.6
477.22858	3.4
489.22873	1.9
490.23840	1.0
503.23944	0.9
519.23761	1.3
521.22260	1.3
533.25415	3.1
535.27240	3.4
545.25421	1.7
547.27185	1.4
560.54321	0.7
563.26550	15.4
564.26965	1.4
591.26025	1.9
605.26855	2.7
606.28308	8.7
607.29218	0.8
623.28607	100.0
624.28967	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01858	3.6
55.05509	23.3
57.03423	9.7
57.07085	2.2
61.02927	33.7
65.00825	2.2
66.38997	1.8
67.05156	3.5
67.05502	44.4
69.03426	7.2
69.07066	12.0
69.84762	6.1
71.04996	5.3
73.02921	7.2
79.05487	38.2
81.03409	5.4
81.07054	40.6
83.04982	4.2
83.08598	9.9
85.02899	25.5
85.06545	3.1
91.03961	16.8
91.05476	50.9
93.07039	36.6
95.04971	9.4
95.08604	27.2
95.91382	2.2
97.02901	15.4
97.06518	5.8
97.10168	3.2
103.05459	2.4
105.04522	3.1
105.07024	38.0
107.04948	7.2
107.08581	15.2
109.06522	6.1
109.10169	12.7
111.08056	4.1
115.05451	6.3
116.06162	2.1
117.07018	30.3
119.08561	25.1
121.06492	5.6
121.10136	10.3
123.08055	4.0
127.03924	3.6
128.06216	8.7
129.07008	39.2
131.04881	2.4
131.08565	43.4
133.06467	6.4
133.10109	11.5
135.08069	3.2
135.11700	5.7
137.09653	2.5
141.06958	16.9
142.07784	5.1
143.08554	29.4
145.06456	5.8
145.10109	17.3
147.08058	8.3
147.11693	6.0
149.09601	5.8
153.07056	3.3
155.08559	26.7
157.06499	4.5
157.10133	17.0
159.08075	6.6
159.10429	2.4
159.11617	11.7
161.09618	6.2
163.11246	4.3
165.06993	4.0
165.12703	2.2
167.08559	13.5
169.10100	14.8
171.11711	11.0
173.09619	4.5
173.13210	4.4
175.11163	3.6
177.12778	3.7
179.08566	6.9
181.10127	9.5
183.11702	9.0
185.09651	4.9
185.13326	7.0
187.11224	2.4
187.14754	3.6
190.98740	2.3
191.38780	2.5
193.10132	5.9
195.11688	16.6
197.09683	2.8
197.13271	8.1
199.11243	3.6
199.14857	5.0
201.12712	2.6
207.11769	5.1
209.13268	11.1
211.11160	2.5
211.14890	2.4
213.12698	6.1
215.14333	7.6
221.13255	11.5
223.14809	8.5
225.12666	3.5
227.14278	3.0
233.13240	2.9
235.14868	4.8
239.14328	5.9
241.15967	4.5
243.13853	2.5
245.15332	2.3
249.16556	3.0
253.15799	5.4
257.15320	5.0
267.17361	2.6
271.16882	6.1
285.18405	3.7
305.22446	2.9
315.20990	3.4
323.23563	5.9
333.22061	21.7
341.24591	8.8
351.23160	53.5
369.24200	36.4
387.25314	18.2
425.26779	9.0
433.29358	3.2
443.27914	100.0
444.28162	8.4
461.28946	65.3
462.29224	3.9
605.32733	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84229	1.3
53.03956	1.5
54.84861	1.3
54.95808	1.3
55.01871	5.4
55.05508	17.8
57.03436	5.2
61.02922	21.3
65.03947	3.6
67.05506	35.4
69.03426	6.3
69.07059	10.5
69.73872	5.4
71.04980	3.2
73.02921	4.9
77.40952	1.4
79.05489	31.7
81.03417	6.5
81.07054	32.0
81.07513	2.8
83.04971	3.9
83.08621	9.5
85.02894	13.4
85.06539	3.9
91.03966	6.2
91.05474	39.8
93.07036	27.5
94.76776	1.4
95.04963	9.0
95.08599	19.7
97.02888	9.6
97.06524	3.9
97.10167	4.0
99.04470	1.8
103.05473	3.5
105.04486	2.6
105.07021	34.9
107.04963	6.9
107.08593	10.8
109.06531	6.6
109.10165	9.1
111.08116	2.8
111.11729	1.6
115.05457	4.9
117.07011	20.6
119.08574	17.8
121.06512	4.5
121.10150	9.9
121.74879	1.6
123.08098	2.8
123.11719	2.9
127.03909	3.4
128.06265	6.2
129.07001	27.5
130.07805	1.8
131.04900	1.5
131.08560	35.7
133.06468	6.8
133.10124	8.9
135.08035	5.9
135.11682	3.8
137.09550	3.0
141.06972	9.8
142.07787	4.0
143.08542	25.4
145.06526	7.4
145.10110	14.7
147.08028	7.4
147.11699	4.9
149.09610	5.1
153.06982	2.1
155.08534	21.6
156.09227	1.6
157.06602	3.0
157.10143	16.0
159.08060	5.1
159.11667	12.2
161.09616	3.0
163.11206	4.9
165.06970	2.4
167.08501	8.3
169.10132	10.1
171.07986	2.6
171.11674	9.6
173.09622	1.4
173.13281	4.4
175.11212	3.8
177.12740	5.3
179.08591	4.5
181.10126	10.9
183.08060	3.0
183.11658	9.6
185.09589	3.1
185.13211	6.6
187.11185	2.0
187.14818	2.3
189.12805	1.9
193.10152	6.0
195.11697	8.1
197.09604	3.4
197.13235	5.6
199.11307	1.9
199.14819	4.7
201.12662	2.6
203.14352	2.6
207.11716	5.0
209.13289	5.7
211.11195	1.9
211.14809	3.6
213.12740	4.9
215.14256	4.0
217.15913	3.4
221.13278	6.2
223.14832	6.1
225.12717	3.4
225.16371	2.7
227.14314	3.3
227.53546	1.4
231.13815	2.0
233.13158	2.1
235.14761	4.5
237.16382	1.8
239.14296	5.0
243.13837	2.3
245.15663	1.8
249.16484	2.3
253.15799	2.7
257.15460	3.3
259.17078	2.6
271.16852	5.0
275.16449	2.0
315.21091	1.8
323.23730	5.2
333.22198	11.2
341.24646	5.2
351.23193	31.7
352.23795	1.5
369.24225	33.2
387.25269	18.0
389.24939	1.5
393.23990	1.5
425.26761	4.9
443.27884	100.0
444.28195	5.5
448.09195	1.5
461.28961	56.2
462.29181	2.9
551.29559	1.9
575.94672	1.5
623.34448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01871	5.9
55.05511	15.1
57.03437	11.7
57.07064	2.3
65.03935	4.6
66.11223	1.1
66.49158	1.0
67.05503	62.4
69.07066	12.3
71.04984	3.6
77.03911	2.3
79.05495	39.9
80.06239	1.2
81.03409	5.4
81.07055	43.6
83.04974	5.8
83.08626	7.6
85.06530	7.1
91.05480	46.7
92.07542	1.2
93.07043	37.9
95.01360	2.2
95.04966	65.0
95.08606	28.7
97.06521	8.4
97.10172	2.9
99.08112	2.1
103.05450	2.3
105.07023	41.9
107.04954	9.3
107.08593	20.1
109.06513	35.6
109.10150	9.1
111.08068	3.4
113.06001	16.2
115.05450	3.8
117.07006	20.7
119.07757	1.3
119.08581	21.0
121.06492	6.7
121.10139	10.0
123.08067	5.9
123.11669	2.5
125.09617	1.9
128.06206	4.0
129.06998	14.0
130.07710	1.7
131.08560	28.6
131.44691	1.2
133.06474	4.4
133.10124	21.8
135.08038	19.4
135.11681	10.6
137.05977	1.8
137.09608	2.9
137.13255	1.4
141.06996	4.8
142.07747	2.0
143.08562	16.2
144.09367	1.8
145.06453	5.0
145.10126	21.5
147.08020	5.0
147.11687	10.8
149.09599	4.5
149.13248	6.3
151.11096	1.5
154.07726	1.5
155.08542	7.2
156.09341	1.8
157.10129	12.1
159.08104	2.6
159.11694	13.6
161.09607	5.6
161.13275	8.0
163.11166	3.6
165.06996	1.7
167.08511	2.9
168.09326	1.3
169.10103	10.3
171.11681	12.5
173.09607	3.6
173.13275	8.5
175.11134	3.0
175.14787	3.7
177.12744	4.5
179.08505	2.2
181.10081	7.3
183.11671	5.5
185.13248	8.8
187.11194	5.1
187.14830	3.4
189.16356	1.5
193.10078	2.9
195.11708	5.2
197.13260	3.1
199.11211	1.4
199.14824	4.6
201.12816	1.3
201.16316	1.6
203.14337	2.2
207.11662	2.6
209.13193	3.1
211.14774	3.5
213.12686	2.6
213.16357	3.1
215.18013	2.6
217.15979	6.1
221.13234	2.3
223.14790	3.3
225.16315	2.2
227.17944	3.1
229.19508	2.2
235.14807	1.7
237.16380	3.7
241.14278	3.0
241.19568	2.7
245.19003	1.8
247.14954	1.5
249.16466	1.5
255.17433	2.5
257.19049	4.4
259.20621	8.3
262.33221	1.5
273.18512	27.2
275.20068	2.5
279.15857	9.1
283.20520	1.6
289.17838	1.4
291.19534	28.9
311.23975	1.8
315.23230	3.8
325.25275	1.7
327.26752	5.1
333.24283	7.9
337.25482	1.3
347.22165	10.5
365.23538	1.8
405.20575	2.3
433.19739	2.6
513.36462	2.8
519.23615	5.1
531.38062	5.2
549.39044	4.0
563.26172	5.5
565.38556	2.1
574.12604	1.4
595.43286	2.1
605.41876	21.3
623.28040	34.1
623.42780	100.0
624.28619	3.1
624.43134	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.8
55.01864	5.8
55.05505	37.8
56.32874	3.1
57.03436	32.2
57.03907	3.5
67.05502	65.2
69.07061	27.2
69.43078	13.1
79.05486	53.0
81.07058	68.8
83.04988	7.4
83.08625	13.5
85.06538	5.7
91.05474	66.4
93.07041	45.0
94.60255	3.6
95.04964	14.6
95.08601	44.0
97.06538	8.2
97.10167	7.3
105.07020	47.9
107.04995	5.8
107.08580	36.1
109.06534	22.3
109.10178	18.4
110.36806	3.7
111.08047	6.2
115.05459	5.0
117.07010	33.6
119.08568	36.3
121.10174	19.8
125.09668	5.9
128.06223	6.7
129.06973	25.5
131.08578	38.9
133.10133	26.6
135.08130	6.8
135.11714	11.1
137.09665	4.6
141.06963	18.1
142.07767	8.2
143.08537	31.7
145.10115	26.0
147.08093	4.9
147.11714	11.4
153.06993	5.4
155.08574	31.6
157.10100	30.8
159.08049	7.9
159.11708	20.7
161.09680	4.7
161.13228	8.1
163.11157	5.0
165.06982	6.6
167.08580	20.8
168.09319	6.8
169.10109	35.7
171.11671	19.9
173.13188	9.0
179.08560	13.7
180.09315	6.5
181.10143	26.9
183.11638	21.6
185.13275	18.4
193.10124	15.8
194.10800	4.5
195.11725	29.5
197.13286	21.7
199.14799	9.3
207.11676	17.5
209.13266	23.5
211.14847	13.3
213.16437	3.7
219.17474	5.0
221.13219	13.2
223.14874	14.3
225.16435	4.3
233.13316	8.3
235.14815	9.4
237.16309	8.9
239.17941	6.0
243.17406	3.8
245.19231	4.0
247.14883	6.2
249.16451	5.1
251.17918	4.6
257.19083	6.9
275.20160	7.8
335.23715	4.0
349.25269	7.5
351.23187	4.2
459.32419	5.1
473.34235	6.8
475.35587	8.0
490.19385	4.0
513.37073	11.9
531.38611	20.2
545.21606	5.9
549.39221	14.2
563.25537	7.6
605.24591	8.1
605.42041	48.0
623.28021	32.2
623.42944	100.0
624.26416	4.1
624.42816	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	624.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27224	2.2
52.86625	2.5
53.03955	3.0
54.08778	2.5
55.01877	2.5
55.05508	13.6
57.03431	6.3
61.02925	3.6
67.05502	8.2
69.03424	33.0
69.07052	3.0
69.08915	11.3
69.09318	5.6
79.05492	8.1
81.03417	9.6
81.07059	14.2
83.04966	15.6
83.08612	9.9
85.02901	31.8
85.06580	3.2
87.00829	15.6
87.04459	7.1
91.05486	5.2
93.07038	9.7
95.04977	12.2
95.08620	5.8
97.02890	36.4
97.06541	5.7
97.10139	2.8
98.23589	2.7
99.04461	10.0
105.01868	21.9
105.07019	10.1
107.08601	17.0
109.02894	12.0
109.06537	14.4
109.10140	24.3
111.08118	4.9
115.03926	11.9
119.08573	5.5
121.10141	16.4
123.08032	5.7
123.11732	5.5
125.09618	4.2
127.03925	28.0
129.05443	2.8
131.08565	6.3
133.04929	3.1
133.10118	34.7
135.08061	6.1
135.11752	3.6
145.04958	8.7
145.10155	3.6
147.11699	8.3
149.13266	8.8
149.94307	2.4
150.07697	2.5
151.11180	12.5
153.09085	7.3
158.10938	4.7
159.02887	3.6
163.14822	3.8
165.12672	4.1
167.14320	15.9
173.13258	21.1
177.05464	3.8
191.14281	27.6
205.04990	2.7
209.15361	100.0
210.15785	3.4
216.63870	2.1
223.05954	2.5
227.16486	16.0
231.05000	6.6
241.07104	2.6
308.44107	2.4
318.43103	2.9
327.07104	4.8
345.08136	6.9
464.39114	2.6
624.22784	3.2
642.16467	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03917	0.3
53.17521	0.3
55.05504	0.8
57.03431	2.1
57.32654	0.3
61.02929	0.6
68.25995	0.3
69.03415	1.6
70.06586	0.4
71.04988	12.8
71.40352	0.3
71.44514	0.4
73.02905	0.6
75.04443	0.6
81.03393	0.7
83.04958	0.9
84.96013	0.6
85.02897	17.0
92.02622	0.6
93.03397	0.9
97.02876	1.2
98.97582	0.4
100.11244	0.7
108.87313	0.3
109.02958	0.4
111.00841	0.5
111.04430	1.0
121.36433	0.4
127.03901	1.1
128.06987	0.5
128.98546	0.3
129.05476	3.3
139.03874	0.6
145.02844	0.4
145.04979	0.7
147.06526	1.2
151.03914	0.4
153.01816	5.1
163.03882	1.3
165.01793	0.5
170.19168	0.4
182.15404	1.0
184.89142	0.3
201.05484	0.5
203.03458	0.5
205.12502	0.4
210.14841	1.1
217.05109	0.4
218.05815	0.4
228.04167	0.8
229.04926	2.0
241.03746	0.5
245.04439	1.2
246.05217	1.1
257.04437	2.1
273.03979	1.8
274.04718	3.6
284.03104	0.5
285.03860	3.8
289.71313	0.5
301.03488	0.5
302.04172	9.8
310.62497	0.4
315.84265	0.3
317.06522	100.0
318.06863	3.4
445.07727	0.4
445.20126	0.4
625.42859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
57.03436	1.5
58.87476	0.2
63.02363	0.3
69.03439	2.0
69.47489	1.1
71.04990	8.8
75.04456	0.3
79.05472	0.7
81.03405	0.7
83.04964	0.5
85.02901	9.3
85.03415	0.5
89.03906	4.7
91.05437	0.3
97.02894	3.5
99.04452	0.3
102.72682	0.2
105.07030	0.3
105.48337	0.2
107.04966	1.6
111.04458	0.5
117.03381	5.6
123.04411	0.3
127.03915	0.6
129.05475	3.1
135.04408	11.3
137.05954	0.3
144.09645	0.3
145.02837	9.1
147.04442	0.3
147.06494	1.1
149.05974	0.6
151.07507	0.4
157.06473	0.3
161.05980	0.4
163.03893	100.0
164.04297	1.7
165.05501	1.3
179.06964	0.8
180.76659	0.2
181.04915	1.3
190.31313	0.2
203.06969	0.4
221.08119	0.3
245.07976	0.3
247.09605	0.4
263.09076	0.6
265.07159	0.5
273.07315	0.3
291.08496	0.4
307.07983	0.4
309.09906	1.3
325.09171	11.1
394.19684	0.2
452.74078	0.3
474.12515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58669	0.3
65.35695	0.3
68.41929	0.4
69.85048	1.0
100.39386	0.3
110.77367	0.3
114.03135	0.3
115.21160	0.3
181.05028	0.7
279.11459	0.6
313.16153	0.6
315.07010	0.5
335.07388	0.6
377.22842	0.4
485.15848	0.5
513.12085	19.6
514.12482	0.7
515.13745	0.9
581.29144	0.5
625.24585	100.0
626.24963	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52578	0.4
55.05507	1.0
67.05491	1.6
69.07056	0.8
79.05499	1.4
81.07056	1.1
84.87309	0.4
88.07213	0.4
91.05471	0.4
93.07035	1.1
95.08565	0.8
105.07012	0.8
107.08601	0.7
107.53468	0.5
109.10137	0.5
112.41796	0.4
119.08556	1.0
131.08524	0.5
143.08611	0.5
222.11479	0.5
223.12498	0.4
231.26465	0.4
273.18478	0.6
291.19550	0.9
310.13531	0.5
314.16727	0.7
324.14929	0.5
364.17999	0.5
375.16071	0.6
376.17032	0.6
377.17725	1.9
378.18637	1.2
379.19312	0.4
389.18250	1.8
390.18417	2.1
391.19092	4.2
392.19870	3.1
393.21088	0.8
403.19394	1.9
404.20108	2.1
405.20703	11.4
406.21478	3.5
407.22278	6.6
417.20901	1.2
418.21481	1.5
419.22437	5.2
420.23068	5.9
421.16476	0.9
421.23862	8.5
422.17529	1.7
422.24368	0.9
429.21030	0.7
431.23227	0.5
433.24435	2.8
434.24734	2.6
435.18167	2.2
435.25229	1.2
436.19012	1.3
437.19830	0.8
445.20209	1.0
447.21884	1.6
448.19110	0.5
449.19510	2.5
450.20419	2.2
451.21249	19.1
452.22037	2.1
460.22879	0.8
461.23553	1.0
463.21371	2.1
464.22122	2.3
465.22876	14.8
466.23621	3.4
473.19724	1.0
475.20590	0.6
475.25839	0.8
477.22116	0.5
477.27100	0.9
478.23633	1.5
479.24368	2.9
487.21228	1.1
488.21991	1.0
491.20996	1.1
492.21820	1.7
493.25986	11.3
494.26517	2.3
501.22739	0.9
503.24390	5.9
504.24750	0.9
509.21921	3.0
521.25421	8.6
522.25336	0.8
523.23334	8.4
524.23785	1.0
537.24933	6.6
538.25690	23.0
539.26038	0.9
547.23517	2.6
549.25244	0.6
565.24414	11.2
566.25238	3.7
579.25690	0.7
581.27618	8.5
607.25494	7.9
608.25232	0.5
624.43652	1.0
625.26495	100.0
626.26843	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26826	0.5
55.01884	0.5
55.05501	1.0
57.30063	0.5
67.05498	3.0
69.07064	2.0
79.05503	2.7
80.10098	0.5
81.07069	2.8
82.49315	0.5
83.08635	0.7
91.05475	2.7
93.07041	2.1
93.16827	0.6
95.04968	0.8
95.08599	2.8
97.06533	0.8
98.50254	0.5
105.06982	2.6
107.08598	1.9
109.06527	0.8
109.10172	0.9
117.07009	1.4
119.08576	1.6
121.10172	0.7
129.06976	0.9
131.08556	1.7
133.10156	0.8
135.11699	1.0
141.06958	0.5
143.08539	1.1
145.10127	1.0
147.11691	1.3
154.07933	0.5
157.10088	1.0
159.11711	1.3
171.11693	0.8
181.10110	0.5
197.13336	0.6
223.15039	0.6
273.18536	0.9
275.20117	1.3
299.65439	0.6
300.79636	0.5
333.24271	0.7
351.15536	0.5
376.16934	0.7
377.17767	1.5
389.17831	0.9
390.18695	0.9
391.19168	2.1
392.19925	0.9
393.20505	0.6
405.16794	1.2
405.21335	0.9
406.17715	0.7
407.22400	2.9
419.18430	1.4
421.16193	0.8
423.18262	1.0
431.19162	0.8
432.19284	0.8
433.20255	4.5
435.17886	1.7
436.19125	2.1
437.19946	1.9
445.16180	0.8
448.14926	1.0
449.15601	5.1
450.16293	0.8
451.21436	6.7
452.22058	1.0
463.16870	5.0
464.17792	2.9
465.19449	1.9
477.18713	3.2
478.19879	9.3
479.20599	10.1
480.21463	0.7
489.22421	0.7
491.21112	4.2
492.21506	1.6
505.22491	2.2
506.22922	0.7
521.25439	2.4
523.19849	1.0
527.37024	0.7
537.24738	2.4
550.21375	0.7
565.24432	29.4
566.24725	1.8
593.24048	1.0
607.25250	0.8
607.43488	1.8
625.26495	100.0
625.43951	4.3
626.26910	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21774	0.4
55.01873	0.5
55.05512	3.0
57.03440	0.9
58.51698	0.4
58.53694	0.4
62.38395	0.4
67.05505	3.5
69.07067	1.5
69.30509	2.1
76.34316	0.4
79.05491	3.1
81.07055	3.6
83.08614	1.0
84.27428	0.4
86.41151	0.4
91.05470	2.8
93.07021	2.9
95.04971	0.7
95.08601	3.1
97.06557	0.6
103.99513	0.4
105.07037	2.1
107.08609	1.8
109.10162	1.6
117.07029	1.4
119.08594	1.5
121.10136	0.7
125.09615	0.8
128.06198	0.5
129.07025	1.4
131.08582	1.4
133.10117	1.2
135.11737	0.5
137.30959	0.4
141.06941	0.6
143.08594	1.3
145.10115	2.0
145.93028	0.4
147.11700	1.4
155.08582	1.2
157.10188	1.3
159.11732	1.1
164.10747	1.5
167.08554	0.8
169.10150	1.7
171.11749	1.3
173.13263	0.8
181.10075	0.7
183.11705	1.1
185.13260	0.9
195.11710	0.9
197.13306	0.9
197.69165	0.4
209.13280	0.5
210.11469	0.6
211.12405	0.6
211.14873	0.8
225.13884	0.4
235.12375	0.4
237.13930	0.8
238.14746	0.6
243.15903	0.5
249.12790	0.4
263.14346	0.5
264.15030	0.5
286.13651	0.6
288.15115	0.6
292.14398	0.6
300.15118	0.5
302.12885	0.5
307.16864	0.6
314.13068	0.9
328.14459	0.6
331.16528	0.5
355.09387	0.6
365.28363	0.4
370.11923	0.5
371.12100	0.5
377.17950	0.7
390.18689	0.6
405.17096	1.4
406.17261	0.5
407.18237	1.0
407.22925	0.7
414.11069	1.1
417.16574	0.5
418.17529	0.9
419.18851	2.3
421.20529	3.5
422.21106	0.8
423.22046	0.7
431.18860	1.0
433.20480	4.1
434.21390	2.7
435.17346	0.9
435.21893	2.0
436.23154	0.9
447.17941	0.8
448.19235	1.4
449.19431	5.3
450.20169	1.0
459.17783	0.6
462.16870	1.2
463.21704	3.1
464.22296	3.1
465.23334	0.7
473.23495	1.1
474.20465	0.6
475.21292	0.9
477.18588	3.2
478.20016	1.8
479.20721	1.5
491.20856	1.8
492.21167	2.3
493.22223	1.9
494.22662	0.6
495.23657	0.6
503.23209	0.5
505.22147	1.3
506.22610	0.6
507.24310	4.2
515.38428	0.7
519.19989	0.6
521.21582	1.4
523.23236	1.7
531.24030	1.7
532.22516	1.0
533.40863	0.6
535.20050	0.6
536.24030	0.6
537.25604	0.9
547.23340	1.8
549.24823	0.6
550.21814	2.6
551.22565	2.1
553.39105	1.3
558.19794	0.5
565.24609	7.0
566.24945	1.2
567.25720	0.9
575.22754	4.0
576.21539	1.8
579.22406	0.6
581.23706	1.7
582.24713	0.9
593.23828	6.3
596.25360	0.6
607.25446	12.7
607.43353	3.7
608.24487	2.6
610.23926	3.1
625.26508	100.0
625.44171	6.9
626.26654	7.4
652.58044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01875	3.8
55.05507	18.6
55.62942	1.1
57.03433	3.0
57.07084	1.3
59.04994	1.5
60.94761	1.0
65.03926	1.6
67.05502	29.3
69.03425	1.7
69.07060	10.9
69.55762	3.3
71.05009	1.7
71.88714	0.9
76.60407	1.0
79.05489	19.6
81.07053	29.6
83.04987	2.9
83.08617	8.5
85.06514	1.6
91.05476	21.7
93.07036	22.0
93.07597	1.5
95.04974	4.5
95.08603	17.3
97.06525	3.6
97.10162	6.9
99.08115	1.5
105.04506	1.3
105.07020	18.5
107.04951	1.4
107.08585	11.8
109.06531	1.8
109.10133	11.0
111.08087	2.5
115.05467	1.8
117.07024	11.2
119.08567	14.3
119.77390	0.9
121.10130	6.1
122.09666	0.9
123.08028	1.2
123.11724	5.4
125.09612	6.1
128.06248	2.9
128.13969	0.9
129.07004	9.1
130.07800	1.6
130.45554	0.9
131.08549	13.0
133.10124	11.2
135.08057	2.1
135.11697	3.6
141.06981	3.6
142.07800	2.3
143.08548	10.7
145.06541	1.1
145.10115	13.8
146.09689	1.7
147.11710	5.8
149.09586	1.6
149.13255	2.7
153.06973	2.2
154.07764	1.3
155.08531	7.9
157.10081	9.9
159.11691	8.6
161.09512	1.1
161.13310	3.0
161.93056	1.0
163.11057	1.5
164.10658	5.5
165.07024	1.0
165.56383	0.9
167.08611	2.8
168.09386	2.1
169.10115	9.9
171.11650	8.6
173.11995	1.2
173.13243	5.1
175.11069	1.2
175.14880	1.9
179.08575	1.8
181.10149	4.6
182.10887	1.3
183.11667	8.7
185.13271	7.3
187.11153	1.9
187.13283	1.1
187.14827	1.8
189.11211	3.4
193.10109	1.3
195.11761	4.1
197.13266	9.2
199.14806	5.8
201.16397	2.2
209.13295	3.5
211.14854	5.4
213.16417	3.3
221.13301	1.6
221.27063	1.3
223.12399	2.9
223.14882	4.3
225.16464	3.5
227.12859	2.9
227.18132	2.1
233.10928	1.1
237.13921	3.6
237.16479	3.5
238.14606	5.8
239.18066	2.3
241.19662	1.7
243.15923	1.9
247.12532	1.9
251.15608	1.3
251.17969	2.3
253.19775	1.1
255.18011	1.0
255.21190	1.4
257.19037	1.5
259.20505	1.9
262.13422	1.5
264.12219	1.0
264.15024	4.4
265.19559	1.3
267.21088	1.4
272.11813	1.5
273.18741	1.2
275.20047	2.6
276.15002	1.7
286.13449	1.5
287.14349	1.3
297.22122	1.3
307.16864	1.9
309.22375	1.2
314.12921	1.8
342.12509	1.4
355.09427	2.3
363.26807	1.7
365.28577	4.6
369.28473	1.2
370.11728	1.3
376.17648	1.5
379.30243	1.6
381.31668	1.7
391.19611	1.5
403.19345	2.1
405.21417	1.3
414.10721	7.3
415.11917	2.1
417.21616	1.2
421.31000	1.4
430.13742	1.7
431.18869	2.3
439.32294	2.3
445.20212	2.9
446.13617	2.9
446.19693	1.1
449.19504	2.2
457.16101	1.4
458.21225	1.3
460.22653	2.2
461.23172	3.6
462.16769	3.9
464.22095	1.6
473.23749	13.3
474.20575	3.4
475.25549	2.6
479.24390	3.6
486.20593	2.0
487.21222	3.2
488.22122	4.4
489.22528	3.0
491.20523	1.4
501.23010	6.7
502.21170	1.2
503.24670	5.6
506.21542	1.4
507.23981	17.3
513.35846	4.8
515.38867	3.8
519.23987	2.2
527.37366	3.2
529.22406	2.4
531.24158	8.9
532.21967	2.5
533.22205	3.6
533.39819	5.1
534.21021	1.3
540.21448	2.2
547.23901	5.7
548.24005	3.3
549.24969	3.4
550.21759	2.7
551.23059	1.6
551.40875	3.7
555.36554	1.6
557.21661	2.0
558.20276	1.9
559.19525	1.3
563.19098	1.3
565.23260	3.7
575.22882	29.2
576.21552	10.1
577.21185	2.2
579.22595	3.0
580.21869	2.1
589.24548	2.3
589.42230	2.2
593.23914	28.6
594.24139	2.1
597.23187	1.9
600.80225	1.4
607.25500	100.0
607.43036	23.8
608.24817	14.1
624.42853	1.7
625.26587	97.6
625.44312	54.9
626.26746	5.9
626.44220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01875	3.8
55.05507	18.6
55.62942	1.1
57.03433	3.0
57.07084	1.3
59.04994	1.5
60.94761	1.0
65.03926	1.6
67.05502	29.3
69.03425	1.7
69.07060	10.9
69.55762	3.3
71.05009	1.7
71.88714	0.9
76.60407	1.0
79.05489	19.6
81.07053	29.6
83.04987	2.9
83.08617	8.5
85.06514	1.6
91.05476	21.7
93.07036	22.0
93.07597	1.5
95.04974	4.5
95.08603	17.3
97.06525	3.6
97.10162	6.9
99.08115	1.5
105.04506	1.3
105.07020	18.5
107.04951	1.4
107.08585	11.8
109.06531	1.8
109.10133	11.0
111.08087	2.5
115.05467	1.8
117.07024	11.2
119.08567	14.3
119.77390	0.9
121.10130	6.1
122.09666	0.9
123.08028	1.2
123.11724	5.4
125.09612	6.1
128.06248	2.9
128.13969	0.9
129.07004	9.1
130.07800	1.6
130.45554	0.9
131.08549	13.0
133.10124	11.2
135.08057	2.1
135.11697	3.6
141.06981	3.6
142.07800	2.3
143.08548	10.7
145.06541	1.1
145.10115	13.8
146.09689	1.7
147.11710	5.8
149.09586	1.6
149.13255	2.7
153.06973	2.2
154.07764	1.3
155.08531	7.9
157.10081	9.9
159.11691	8.6
161.09512	1.1
161.13310	3.0
161.93056	1.0
163.11057	1.5
164.10658	5.5
165.07024	1.0
165.56383	0.9
167.08611	2.8
168.09386	2.1
169.10115	9.9
171.11650	8.6
173.11995	1.2
173.13243	5.1
175.11069	1.2
175.14880	1.9
179.08575	1.8
181.10149	4.6
182.10887	1.3
183.11667	8.7
185.13271	7.3
187.11153	1.9
187.13283	1.1
187.14827	1.8
189.11211	3.4
193.10109	1.3
195.11761	4.1
197.13266	9.2
199.14806	5.8
201.16397	2.2
209.13295	3.5
211.14854	5.4
213.16417	3.3
221.13301	1.6
221.27063	1.3
223.12399	2.9
223.14882	4.3
225.16464	3.5
227.12859	2.9
227.18132	2.1
233.10928	1.1
237.13921	3.6
237.16479	3.5
238.14606	5.8
239.18066	2.3
241.19662	1.7
243.15923	1.9
247.12532	1.9
251.15608	1.3
251.17969	2.3
253.19775	1.1
255.18011	1.0
255.21190	1.4
257.19037	1.5
259.20505	1.9
262.13422	1.5
264.12219	1.0
264.15024	4.4
265.19559	1.3
267.21088	1.4
272.11813	1.5
273.18741	1.2
275.20047	2.6
276.15002	1.7
286.13449	1.5
287.14349	1.3
297.22122	1.3
307.16864	1.9
309.22375	1.2
314.12921	1.8
342.12509	1.4
355.09427	2.3
363.26807	1.7
365.28577	4.6
369.28473	1.2
370.11728	1.3
376.17648	1.5
379.30243	1.6
381.31668	1.7
391.19611	1.5
403.19345	2.1
405.21417	1.3
414.10721	7.3
415.11917	2.1
417.21616	1.2
421.31000	1.4
430.13742	1.7
431.18869	2.3
439.32294	2.3
445.20212	2.9
446.13617	2.9
446.19693	1.1
449.19504	2.2
457.16101	1.4
458.21225	1.3
460.22653	2.2
461.23172	3.6
462.16769	3.9
464.22095	1.6
473.23749	13.3
474.20575	3.4
475.25549	2.6
479.24390	3.6
486.20593	2.0
487.21222	3.2
488.22122	4.4
489.22528	3.0
491.20523	1.4
501.23010	6.7
502.21170	1.2
503.24670	5.6
506.21542	1.4
507.23981	17.3
513.35846	4.8
515.38867	3.8
519.23987	2.2
527.37366	3.2
529.22406	2.4
531.24158	8.9
532.21967	2.5
533.22205	3.6
533.39819	5.1
534.21021	1.3
540.21448	2.2
547.23901	5.7
548.24005	3.3
549.24969	3.4
550.21759	2.7
551.23059	1.6
551.40875	3.7
555.36554	1.6
557.21661	2.0
558.20276	1.9
559.19525	1.3
563.19098	1.3
565.23260	3.7
575.22882	29.2
576.21552	10.1
577.21185	2.2
579.22595	3.0
580.21869	2.1
589.24548	2.3
589.42230	2.2
593.23914	28.6
594.24139	2.1
597.23187	1.9
600.80225	1.4
607.25500	100.0
607.43036	23.8
608.24817	14.1
624.42853	1.7
625.26587	97.6
625.44312	54.9
626.26746	5.9
626.44220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76797	0.6
55.01858	0.9
55.05513	4.6
57.03443	1.2
59.05004	3.1
60.44010	0.5
65.03924	0.7
67.05499	9.2
69.07070	2.9
69.43244	3.5
71.05039	0.7
79.05492	10.2
79.05946	0.8
81.03410	1.1
81.07050	11.4
83.04977	1.0
83.08620	2.8
89.24001	0.8
91.05472	10.5
93.07048	9.9
95.04970	2.3
95.08601	7.6
97.06563	0.9
97.10174	1.3
103.05449	0.7
105.07034	8.2
107.04955	1.0
107.08601	5.3
109.06535	2.0
109.10171	2.7
111.08109	0.7
115.05486	1.6
117.07028	5.7
119.08575	6.4
121.06527	1.2
121.10121	3.8
123.08035	0.9
123.11774	0.6
128.06252	2.1
129.06995	3.3
130.07741	1.3
131.08545	9.4
133.06506	0.9
133.10153	3.3
135.08044	1.0
135.11710	1.9
143.08546	7.2
144.45627	0.7
145.10123	9.6
147.08099	1.1
147.11719	2.4
149.09669	1.1
155.08623	1.4
157.10123	3.2
159.08060	0.9
159.11707	2.8
161.09665	1.5
161.13275	0.8
163.11223	1.0
167.08588	0.8
169.10158	2.1
171.11734	2.5
173.13326	1.4
175.11276	1.3
181.10191	0.8
183.11726	1.7
185.13286	1.5
195.11699	2.5
197.13252	0.8
199.14874	0.9
200.96198	0.7
201.16293	0.8
227.18166	0.7
237.16411	1.3
245.19160	1.0
255.17543	2.3
261.22351	0.9
273.18500	8.2
275.20120	1.3
291.19635	1.7
335.25748	6.8
347.22342	1.9
349.24130	0.7
377.18051	0.9
391.19159	1.2
405.16742	1.1
407.22519	1.5
419.18414	1.7
419.23074	1.0
420.19171	1.2
431.18668	1.5
432.19019	0.8
433.20267	2.7
434.20477	3.0
435.21664	3.8
445.20392	1.3
446.21204	1.8
447.21893	2.9
460.22504	2.8
461.23749	3.8
463.21094	1.5
477.22678	1.4
479.24384	2.2
491.24451	1.4
492.25146	3.1
493.26184	2.6
507.23889	7.9
519.24219	0.9
533.25500	5.3
534.26013	1.3
535.23822	1.0
537.24976	2.1
538.45465	0.7
565.28131	11.8
567.26166	2.2
593.27625	4.5
595.25616	1.3
607.43719	3.7
625.30188	100.0
625.44562	4.4
626.30701	6.3
636.67072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01867	2.1
55.05510	9.6
57.03445	3.8
59.65136	1.9
67.05503	29.9
69.03421	2.2
69.07060	11.1
79.05486	21.0
81.07054	30.1
83.08623	5.7
91.05474	28.2
93.07028	20.5
95.04942	4.6
95.08598	18.2
97.06525	4.0
105.07031	30.2
107.04962	2.1
107.08579	10.9
109.06524	4.1
109.10170	7.7
115.05414	2.4
115.70310	1.7
117.07018	17.3
119.08577	20.2
120.52946	1.8
121.06515	3.3
121.10146	6.2
128.09706	2.0
129.06999	11.9
131.08566	24.4
133.06519	2.3
133.10129	10.8
135.08003	2.1
135.11687	2.9
137.60045	2.0
141.07019	5.4
143.08577	8.8
145.10115	17.0
146.65332	2.0
147.08055	2.9
147.11690	2.7
149.09622	3.2
155.08569	6.1
157.10155	8.7
159.08070	1.8
159.11641	4.7
161.13243	2.4
167.08546	3.0
169.10139	5.3
171.11656	5.6
173.13258	2.8
181.10039	2.7
183.11737	4.7
195.11690	3.1
197.13234	4.1
199.14873	2.4
211.14951	3.3
264.21063	2.0
271.72696	2.0
316.95129	2.2
335.23557	2.6
343.26321	2.9
353.24744	12.3
371.25845	14.6
389.26715	18.2
431.18253	2.3
445.29477	100.0
446.29855	6.1
463.20218	2.5
463.30789	41.0
464.30371	2.0
625.33148	3.7
625.44391	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.9
55.05506	8.9
62.38004	3.1
67.05510	27.9
69.07067	9.4
79.05480	22.6
81.07048	21.6
83.08634	5.3
91.05473	22.9
93.07046	20.4
95.04972	5.3
95.08604	16.4
98.22637	7.5
105.07024	24.6
107.08607	12.7
109.10149	6.1
117.07014	11.6
119.08575	14.2
121.06497	6.6
121.10170	5.8
127.06113	2.6
129.07016	8.3
131.08568	18.0
133.10117	12.3
139.33382	2.9
143.08574	9.1
145.10143	9.6
147.11671	4.6
149.09634	3.3
155.08627	3.9
157.10130	7.2
159.11728	4.9
167.08638	3.5
169.10095	4.9
171.11676	5.9
180.11426	3.0
181.10103	3.7
183.11758	4.5
190.08653	4.7
196.11943	3.1
250.05971	2.9
288.06161	11.2
353.24713	13.6
371.26001	8.5
389.26855	12.5
445.29495	100.0
463.30661	18.1
625.25726	19.1
625.43982	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
55.05510	46.9
57.03426	10.2
65.03937	7.9
67.05500	83.5
69.07066	23.9
69.89520	7.4
71.04984	5.1
79.05486	70.7
81.07054	73.2
83.04970	6.4
83.08601	11.7
85.06518	6.7
91.04940	7.1
91.05474	81.6
93.07041	68.5
95.04948	21.9
95.08595	56.7
97.10156	11.3
103.05464	5.5
105.07021	70.7
107.04934	5.2
107.08587	27.8
109.06507	10.5
109.10142	20.4
115.05463	11.6
117.07009	53.8
119.08580	43.8
121.06514	7.2
121.10146	24.2
123.08070	6.3
123.11651	3.7
128.06224	18.9
129.07001	24.1
130.07742	7.6
131.08560	73.6
133.06445	10.4
133.10115	25.4
133.68752	3.2
134.45557	3.7
135.08078	6.2
135.11684	13.5
141.06990	9.3
142.07800	5.6
143.07426	5.3
143.08554	82.4
145.10114	99.2
147.08052	6.6
147.11684	11.9
147.49402	4.2
149.09584	6.0
149.13295	7.3
151.18172	4.5
155.08548	7.6
157.10098	37.1
159.08067	5.3
159.11678	26.4
161.09607	14.5
161.13260	4.6
167.08514	5.3
169.10114	13.7
171.11693	20.2
173.09515	4.4
173.13307	11.7
175.11185	10.4
175.14851	3.7
177.12756	4.2
181.10095	14.7
183.11667	8.5
185.13248	10.1
187.11136	4.6
193.10170	4.1
195.11658	29.5
199.11060	4.6
199.14697	3.7
208.79749	3.2
213.12895	4.3
227.17926	9.8
237.16391	26.0
245.19037	7.7
255.17413	25.3
273.18472	96.1
329.21194	5.0
335.25766	100.0
347.22214	34.3
586.51813	3.5
607.43329	23.1
625.27985	5.7
625.44092	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01866	11.5
55.05515	37.4
57.03431	8.4
57.07080	4.3
65.03968	3.9
66.31318	3.4
67.05502	67.7
69.03423	4.5
69.07062	31.3
69.40153	18.3
71.05003	5.1
73.54069	3.7
76.02485	3.2
79.05492	43.7
81.07053	59.5
83.04979	4.3
83.08625	18.1
85.06534	4.9
91.05478	43.6
93.07047	44.5
95.04963	11.1
95.08600	43.7
97.06530	13.7
97.10177	15.8
98.30574	3.8
103.05454	3.6
105.07032	39.7
105.46206	4.3
107.04968	7.6
107.08593	34.4
109.10144	23.7
115.46871	3.5
117.06981	24.0
119.08578	28.0
121.10150	16.6
123.08040	4.3
123.11704	11.6
123.16026	3.7
125.09613	12.0
128.06223	4.4
129.07005	24.4
131.08557	37.9
133.10126	32.5
135.08116	5.0
135.11667	11.8
141.07036	6.2
142.07774	6.4
143.08571	25.5
145.10139	29.8
147.11688	16.4
147.46123	3.3
149.09700	8.4
155.08524	14.4
156.09268	5.6
157.10141	18.8
159.11687	24.1
161.13280	8.6
167.08530	9.6
169.10162	14.2
171.11664	24.7
173.13225	18.9
179.08543	4.3
181.10078	8.5
183.11723	24.1
185.13171	17.0
187.14822	5.2
193.10249	4.6
195.11676	13.3
197.13271	13.7
198.97476	5.1
199.14850	10.6
207.11743	7.6
209.13272	10.5
211.14786	11.6
213.16316	11.7
221.13280	6.1
223.14740	9.1
225.16406	7.3
227.12715	9.0
227.17932	4.7
237.16347	6.9
241.19427	5.3
251.17805	5.2
253.19577	4.4
257.18961	6.0
259.20490	8.8
273.18506	3.9
275.20044	11.0
281.47919	3.9
333.24030	3.8
349.23801	8.3
365.28476	10.0
381.31805	4.4
383.29352	4.2
421.30783	5.1
433.20636	4.4
466.08423	4.2
513.35858	23.3
515.38708	7.9
527.37213	9.4
533.39661	11.8
551.40753	6.7
589.42419	5.4
607.25775	8.4
607.43750	45.2
625.27057	35.4
625.44617	100.0
626.44537	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96019	1.4
51.01714	1.5
51.05770	1.5
53.03116	1.5
53.03933	3.2
55.01866	7.4
55.05508	31.9
57.03431	7.1
57.07072	3.4
58.22988	1.7
59.05012	2.6
59.84077	1.4
65.03929	2.8
67.05501	61.7
69.03422	2.4
69.07066	25.4
69.10480	8.3
69.10887	3.0
71.04991	4.1
71.30318	1.8
77.03951	1.9
79.05492	34.4
81.07054	50.6
83.05013	3.4
83.08607	15.1
85.06529	3.4
91.05477	32.3
93.07045	36.2
95.04966	8.9
95.08604	35.7
97.06516	10.4
97.10165	10.3
98.85255	2.0
105.07024	33.1
107.04936	4.9
107.08577	27.5
109.06540	6.6
109.10155	21.8
111.08101	2.3
115.05470	2.7
117.07022	21.0
119.08578	29.8
121.06506	2.7
121.10130	15.6
123.08112	5.3
123.11732	7.8
125.09637	8.5
125.16082	1.5
128.06236	5.0
129.06982	16.9
131.08572	25.6
133.10143	21.5
135.08049	5.3
135.11710	7.5
137.09610	3.5
141.07014	4.7
142.07813	4.9
143.08577	18.8
145.06509	2.0
145.10117	25.5
145.56230	1.9
147.08090	2.4
147.11664	11.8
149.09633	3.2
149.13298	4.8
155.08569	14.1
157.10133	19.5
159.11703	21.2
161.09497	1.8
161.13319	5.5
163.11226	3.6
163.14841	2.3
164.23868	1.7
165.07007	1.7
167.08562	4.2
168.09402	2.3
169.10118	15.4
171.11647	19.4
173.11810	3.1
173.13184	10.8
175.11183	1.7
175.14880	4.3
179.08536	2.2
180.09399	2.1
181.10130	8.6
182.10860	1.9
183.11682	14.1
184.12473	2.1
185.13249	14.3
187.13315	3.5
187.14868	5.5
189.11238	3.6
189.16420	2.4
193.10228	3.5
195.11757	11.4
197.13306	11.1
199.14847	8.7
201.16420	4.6
203.56242	1.7
207.11774	2.1
209.13298	7.4
211.14815	6.6
213.16449	6.1
215.14270	2.2
217.15808	2.1
221.13292	5.4
223.14868	5.6
225.16466	5.8
227.12735	4.6
227.17960	3.7
229.14322	2.4
235.14865	3.2
237.16438	4.6
239.17986	6.7
241.19577	4.2
245.18985	1.7
251.17961	3.2
253.19556	4.3
257.19147	4.1
259.20587	5.8
261.21979	1.9
265.19751	2.3
267.17456	1.9
267.21341	1.7
273.18549	4.0
275.20084	7.7
277.21814	2.4
297.22125	3.5
309.22171	1.7
321.21964	2.5
323.23862	2.7
333.24350	3.0
349.24023	5.3
365.28537	4.9
379.29971	3.0
381.31540	3.1
403.30121	2.8
421.31284	4.3
439.31946	2.8
495.34808	2.8
497.36264	2.1
513.35931	16.8
515.38818	7.6
527.37469	4.3
533.39825	7.2
537.36444	2.2
551.40790	8.9
556.37500	1.9
589.41809	2.2
597.45166	2.2
607.43579	45.7
608.43286	2.6
625.44562	100.0
626.44696	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01864	5.7
55.05506	31.1
57.03427	8.3
57.07064	2.9
59.04992	2.1
65.03925	2.7
67.05499	51.3
69.03431	2.2
69.07063	20.2
69.80615	4.5
69.80973	1.4
71.04993	6.3
71.91089	1.3
73.31255	1.2
79.05043	2.4
79.05487	36.2
81.03413	1.4
81.07050	51.0
83.04971	3.9
83.08607	16.0
85.06516	3.6
85.89275	1.2
91.05470	31.0
93.07037	37.1
95.04970	8.0
95.08597	33.8
95.09212	1.6
97.06524	7.9
97.10163	13.4
98.22742	2.6
105.04494	1.1
105.07024	33.6
105.07727	1.8
106.07362	1.5
107.04963	2.6
107.08588	25.5
109.06506	6.8
109.10160	18.6
111.08065	5.4
115.05457	2.7
117.07006	18.1
119.08578	25.3
121.10118	11.2
123.08051	3.4
123.11710	11.6
125.09622	11.6
128.06226	5.6
129.06998	19.4
130.07794	2.1
131.08553	23.0
133.10103	21.3
135.08067	6.2
135.11722	7.6
137.09575	1.3
141.07007	8.1
142.07764	5.8
143.08557	22.7
144.09312	1.8
145.10110	23.1
147.08057	1.9
147.11653	10.1
148.69470	1.3
149.13251	3.5
151.11134	1.6
153.07008	1.8
154.07739	2.5
155.08534	13.6
156.09348	3.3
157.10107	19.4
159.08076	1.6
159.11681	12.9
161.09550	2.4
161.13283	6.0
163.14876	1.6
164.59016	1.4
165.07057	1.6
167.08592	5.7
168.09279	2.5
169.10110	18.9
170.10759	1.7
171.11662	18.2
173.09619	1.6
173.13240	9.1
175.14835	4.0
179.08556	1.7
181.10104	10.1
182.10928	2.6
183.11696	19.1
185.13235	15.2
187.13260	4.2
187.14847	5.2
189.11238	4.6
193.10011	2.7
195.11688	8.7
197.08115	1.3
197.13278	14.1
197.15004	2.5
199.14876	11.6
201.16371	4.0
207.11697	3.3
209.13199	9.1
211.14799	10.3
213.16446	6.7
215.17899	1.7
219.11919	1.5
219.17476	2.6
221.13240	4.0
223.14824	5.4
225.16385	8.2
227.12732	9.3
227.17921	3.0
229.19493	1.5
233.13332	1.6
235.14824	2.4
237.14169	1.6
237.16418	5.6
239.15685	1.9
239.17995	5.1
241.05797	1.6
241.19608	2.9
243.15941	4.9
249.16423	2.7
251.18094	3.8
253.19437	4.0
257.19022	2.2
259.20627	3.6
263.17896	1.6
265.13272	1.6
265.19589	2.9
267.21072	1.9
273.18484	3.8
275.20062	4.3
283.20752	1.7
291.19711	1.5
297.22299	1.5
311.20374	1.7
311.23660	1.6
315.23053	1.6
323.23947	2.0
333.24524	1.2
337.25339	1.7
340.14236	1.5
349.24005	1.9
365.28503	9.1
381.31638	4.0
383.29547	5.5
407.29626	1.7
409.31177	1.5
421.31122	1.7
439.32111	3.8
475.21326	1.8
505.22238	5.0
513.35712	6.2
515.38971	7.8
533.39764	9.0
534.22125	1.6
539.36957	1.6
543.37512	1.4
547.23389	4.7
549.25208	3.4
551.40894	6.0
553.39014	2.1
581.27582	5.7
589.42773	2.2
593.23621	2.4
607.25195	5.8
607.43536	34.3
608.43799	3.3
625.26917	37.7
625.44440	100.0
626.26849	5.0
626.44751	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	626.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14640	0.6
52.31725	0.7
57.03422	2.3
61.87222	0.8
68.99773	1.5
70.06586	2.8
70.56021	1.0
70.56363	1.0
71.04988	17.1
74.25916	0.6
83.01311	1.0
83.04974	1.5
85.02900	19.5
102.71957	0.8
129.05484	6.0
137.02359	0.8
147.06529	1.9
153.01891	0.7
161.89890	0.7
163.03932	0.9
171.04636	0.7
189.05450	2.5
194.05103	0.8
217.04933	13.4
245.04440	16.7
273.03912	38.7
274.04272	1.5
301.03409	100.0
302.03787	2.9
303.04901	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	626.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
55.05501	3.4
57.03437	15.1
57.55031	0.8
59.04994	1.4
59.75445	0.7
61.02932	6.9
65.03945	0.8
67.05494	0.8
69.03427	31.3
69.03804	1.6
69.48236	3.7
71.01342	3.7
71.04991	43.0
71.35683	0.7
73.02914	48.3
75.04481	8.4
80.29465	0.8
81.03426	4.0
83.04981	21.2
85.02901	100.0
86.03241	1.1
87.04460	3.7
91.05472	5.9
93.07051	1.6
94.04907	0.9
94.30933	0.8
95.04961	3.5
97.02889	30.1
98.23473	1.6
99.04433	2.2
101.06023	1.2
103.03955	3.8
105.07034	1.4
109.02886	1.1
111.04440	18.8
112.66992	0.8
113.02351	2.6
113.05983	2.5
115.03928	26.1
119.04945	4.5
121.06512	2.9
123.04429	0.9
127.03892	6.0
129.05475	38.8
131.04935	1.4
133.04967	11.7
133.06476	1.7
139.03856	6.6
143.04962	0.8
145.04942	3.5
147.06519	31.1
149.04446	1.3
149.05946	1.5
151.03894	1.9
151.07538	41.2
152.07921	0.9
153.05490	1.2
157.04997	2.0
161.05969	2.4
163.06029	2.3
163.07544	3.0
163.12924	0.8
165.05417	0.8
165.07635	2.6
165.09126	6.2
166.70711	0.7
169.04941	3.1
169.08560	7.5
171.06538	3.5
171.07895	0.9
175.07504	1.1
179.07039	3.6
181.08618	8.2
183.06593	0.8
187.05991	1.7
189.09117	0.9
193.08580	10.2
195.06523	1.6
199.06033	1.7
203.06937	0.9
205.08603	1.3
207.06584	2.0
217.06895	0.9
217.08789	1.0
223.09566	1.2
225.07536	15.8
235.09666	2.9
237.07573	1.0
243.08649	11.1
247.09608	2.7
255.08607	2.8
261.11258	6.8
265.10602	3.8
273.09677	2.6
277.10703	2.3
279.10361	14.1
281.64951	0.8
295.11752	1.6
309.11734	5.0
634.03351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01857	0.4
57.03421	0.5
58.52702	0.1
61.02929	0.9
68.57769	0.2
68.99797	0.4
69.03423	2.1
70.06586	0.2
71.04982	0.3
71.37265	0.1
71.43224	0.1
73.02900	0.3
81.03408	1.4
84.09356	0.1
84.16097	0.2
85.02901	5.5
87.04408	0.2
91.03939	0.4
93.03391	0.4
97.02893	1.9
99.04438	0.3
104.94329	0.2
109.02871	0.9
111.00770	0.7
121.02909	0.8
127.03905	1.6
137.02327	3.1
145.04958	0.7
149.02330	0.5
153.01808	3.2
161.06027	0.2
163.03912	0.6
165.01843	2.1
166.02690	0.3
173.05943	0.4
177.05450	0.2
181.04967	0.5
181.08601	0.2
182.05269	0.2
183.02870	0.8
183.04280	0.3
187.03937	0.2
195.02818	0.2
201.05484	1.4
213.05489	0.2
219.06436	0.3
221.77899	0.2
229.04941	3.9
247.05992	0.7
257.04395	2.8
261.04147	0.2
274.04800	0.8
285.03946	1.2
303.04959	100.0
304.05328	2.5
345.05722	0.3
465.10260	6.1
513.92316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Quercetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
51.19806	0.5
53.03937	0.7
55.01874	0.9
57.03420	1.4
61.02929	3.4
69.03422	4.3
71.05000	0.5
71.06407	0.6
72.36480	0.4
73.02916	1.0
81.03387	2.3
85.02899	18.8
91.03932	1.8
97.02887	6.1
99.04443	0.9
109.02876	2.1
111.00803	0.6
116.27291	0.5
116.28111	0.6
121.02887	0.5
127.03918	4.3
137.02339	3.1
145.04942	5.5
149.02379	0.6
153.01810	3.0
163.03847	0.5
163.06004	0.9
165.01834	1.7
168.25085	0.4
170.74919	0.4
173.05931	0.6
183.02905	1.0
201.05476	1.3
229.04912	3.9
247.05962	0.7
257.04456	2.4
274.04672	0.7
285.03928	1.6
303.04962	100.0
304.05219	2.3
345.06073	0.7
596.91968	0.5
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
53.03938	0.3
53.80864	0.1
55.01869	0.4
57.03426	0.6
58.42797	0.1
61.02923	0.9
62.02976	0.1
65.03933	0.1
68.99802	0.5
69.03423	2.1
69.18253	0.9
70.06582	0.2
71.04979	0.2
73.02908	0.4
74.08955	0.1
74.81281	0.1
81.03410	1.3
82.87453	0.1
84.08129	0.3
85.02902	7.2
91.03931	0.3
93.03380	0.2
95.04938	0.2
97.02887	2.6
98.23512	0.3
99.04452	0.3
106.47655	0.1
109.02876	0.9
111.00797	0.9
119.04977	0.2
120.08123	0.2
121.02853	1.1
127.03899	1.2
135.04446	0.2
137.02336	3.3
137.03381	0.3
137.52928	0.1
143.21046	0.1
145.04951	1.2
149.02327	0.4
153.01810	3.5
159.04416	0.1
161.05972	0.3
162.12991	0.1
163.03902	0.6
165.01852	2.2
166.02647	0.3
171.02878	0.1
173.05991	0.4
177.05473	0.2
183.02896	0.9
183.04375	0.3
187.03853	0.2
195.02803	0.3
201.05466	1.6
219.02844	0.3
219.06532	0.3
228.04163	0.2
229.04958	4.4
239.03560	0.2
247.05890	0.7
257.04431	3.0
274.04666	0.8
275.05423	0.2
285.03925	1.2
286.04584	0.2
303.04959	100.0
304.05365	2.4
329.36322	0.2
345.05893	0.2
465.10284	6.2
466.10095	0.2
524.90942	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.7
68.05012	1.4
69.03423	3.3
69.82825	1.2
69.91583	5.0
70.13296	1.1
75.02065	1.4
82.06569	5.0
84.04495	12.4
85.02899	5.8
86.06046	5.2
91.05479	3.6
94.06551	5.0
96.04465	2.2
97.02881	6.2
98.06045	8.4
98.95756	1.4
102.05517	4.9
103.05413	1.5
105.07019	4.0
108.04517	2.0
108.08147	1.9
115.05440	4.4
117.07011	8.4
118.06526	1.8
120.08089	8.8
121.06489	1.8
122.05980	1.8
128.06262	3.2
129.06973	4.5
130.04993	19.4
132.05682	2.9
133.06459	4.5
135.04407	2.6
136.07602	1.9
145.06474	22.8
146.05998	3.0
147.04417	1.6
147.08005	10.0
148.07533	5.8
151.08614	1.5
155.08501	2.9
159.04451	1.6
160.05165	3.9
161.05959	9.0
164.07060	4.3
165.10208	3.2
167.83305	1.4
173.05965	46.3
174.06657	2.1
175.07532	2.1
182.07231	2.4
183.08022	4.6
184.11209	8.5
185.05943	1.7
187.07550	2.9
194.08070	4.2
195.07988	4.9
197.08183	2.5
197.09781	2.9
198.06912	1.6
198.09123	6.2
199.07454	4.9
209.09737	2.9
210.09122	1.6
211.07527	6.2
211.09633	2.3
212.10680	100.0
213.09109	8.2
213.10921	2.7
219.08015	2.2
220.06050	2.6
221.91345	1.4
223.10010	1.4
224.08575	2.7
224.10608	13.7
225.09160	19.5
225.11272	2.5
226.10013	3.0
233.09410	1.6
234.08975	1.7
235.24786	1.5
236.10751	3.9
237.11241	1.7
238.09874	1.5
238.12239	4.0
239.07043	1.6
240.10178	20.3
242.11723	3.4
243.12408	1.7
248.10664	3.0
250.12181	6.4
251.09590	1.9
252.10176	3.8
253.08246	1.9
254.11818	3.6
262.12347	2.6
264.10156	3.2
266.11642	2.5
278.11728	6.7
280.13333	3.8
289.11993	1.4
293.11743	2.0
296.12695	12.0
305.11557	1.6
306.11148	4.1
307.14313	2.4
308.12698	5.9
309.13116	1.7
317.11353	1.6
323.13855	3.3
324.12259	23.4
325.12149	2.5
325.15530	10.2
327.13620	2.0
336.12335	3.0
341.14890	13.5
352.11719	6.0
353.15012	9.1
355.13043	3.7
355.16711	2.7
356.13657	3.1
369.14420	65.6
370.15109	9.1
384.13559	4.3
390.77267	1.6
407.15884	2.0
413.13831	2.8
444.37463	1.6
452.18399	2.6
475.18018	1.5
480.18292	2.1
481.16373	1.6
485.20407	1.7
512.19250	5.7
513.19427	2.4
530.20300	7.7
548.20618	2.3
565.23163	2.4
581.22748	8.4
583.24237	3.4
609.21985	4.9
627.23297	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	627.281
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
77.72940	0.2
81.89246	0.2
123.25529	0.2
302.12881	0.3
328.14276	0.3
330.16171	0.2
377.17813	0.9
378.18372	0.5
379.19131	0.8
380.20041	0.4
390.18756	0.4
391.19415	1.3
392.20166	0.4
393.20877	2.1
394.21393	0.3
395.22693	0.4
404.20380	0.3
405.16638	2.3
405.21719	0.3
406.17358	1.8
406.22269	0.5
407.18671	0.6
407.22754	3.7
408.23108	1.0
417.17252	0.3
419.18317	3.9
420.19330	2.0
421.15497	0.3
421.20264	4.8
421.24988	0.4
422.21008	0.6
423.22098	1.3
433.20322	4.0
433.24741	0.3
434.21298	3.8
435.21985	5.7
436.22437	0.9
437.23935	0.4
447.22629	1.1
448.18079	0.4
448.23276	0.4
449.19443	7.2
450.19717	0.4
451.21292	0.5
461.23862	0.4
462.20651	0.5
463.20850	2.8
464.22125	2.0
465.19376	1.0
466.24109	0.6
467.24542	0.9
475.21521	0.5
476.22086	0.6
477.22784	0.7
479.20297	2.8
480.21698	0.9
481.22330	2.5
483.24353	0.3
491.24387	0.3
493.22134	1.8
494.22992	3.4
495.23843	2.9
496.24374	0.4
507.24048	10.1
508.24377	0.8
509.25513	0.7
510.26373	0.5
511.23862	0.3
520.25525	0.2
521.21106	0.7
525.24524	0.4
526.25629	0.3
535.24084	0.5
536.23901	0.6
537.25812	0.4
539.22345	2.4
549.24744	1.7
553.24237	0.7
567.26044	18.7
568.26532	1.4
581.24353	0.4
595.25433	0.4
598.24524	0.4
609.27008	0.5
627.28076	100.0
628.28412	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	627.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71189	1.0
55.05526	2.0
67.05502	2.7
69.45373	2.8
69.45767	2.0
71.05073	1.0
78.75256	0.9
79.05510	1.7
81.07066	2.2
91.05487	1.4
93.07049	1.2
98.22709	1.7
105.07007	1.2
119.08574	1.3
120.04506	1.2
133.10164	1.0
136.07611	1.3
138.09201	1.4
145.10127	1.1
145.51967	0.9
146.09512	1.2
148.07532	1.1
159.09267	1.2
174.09172	4.3
176.92366	1.5
187.12320	5.5
188.10774	2.5
194.93474	2.0
197.10637	1.2
200.09508	1.1
210.11311	1.9
211.08670	2.1
215.11917	3.0
222.14345	1.3
225.10330	3.9
227.11929	3.0
235.08725	2.0
239.11858	3.3
241.13425	2.5
241.47934	1.0
243.11299	22.8
249.10283	1.6
250.96069	1.2
253.09918	2.8
253.13159	1.5
255.11469	1.2
263.12152	1.3
267.11298	5.3
274.96286	1.1
277.09814	2.4
279.11475	1.3
285.12451	3.4
291.11346	1.2
295.10797	2.8
301.15710	1.8
314.12988	2.1
316.10876	2.2
325.15448	9.9
327.13599	4.6
328.10770	2.7
328.14505	1.4
330.12320	3.1
330.15897	1.5
332.13574	1.1
333.11444	1.2
334.15479	1.7
342.12460	4.1
342.16174	1.4
343.13187	3.1
344.14047	4.6
345.14969	1.6
346.15518	2.6
348.13330	4.8
356.13867	2.9
358.15524	4.9
370.15686	2.5
371.16351	1.5
372.17310	4.7
374.14999	1.9
398.15234	1.2
400.16544	3.1
403.16086	1.4
407.15366	1.2
412.16983	1.7
420.16110	1.4
422.17908	1.5
432.19171	3.4
433.20764	1.2
435.14438	2.7
436.19412	1.4
437.19861	2.9
447.22412	1.9
450.16400	2.2
460.18484	1.3
461.24161	2.1
462.24390	2.9
463.21033	3.0
464.18234	1.9
465.18768	14.6
478.20044	3.5
479.20395	6.5
480.21475	4.8
481.22537	3.9
492.21353	2.2
493.22372	3.8
507.24078	5.1
508.20844	2.3
509.76270	1.4
535.23279	8.4
549.24957	11.9
552.23615	1.6
553.24469	2.2
567.26099	86.2
568.26727	5.2
577.24890	2.8
595.25482	100.0
596.25989	4.1
609.26770	2.2
627.28070	42.5
628.28339	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	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05513	0.7
58.56758	0.7
67.05497	2.1
69.21924	4.7
79.05514	1.6
81.07053	1.5
91.05470	2.1
92.05089	0.7
92.29002	0.7
93.07079	1.4
95.08594	1.2
98.23536	1.2
106.06557	0.8
118.06571	3.2
120.08125	1.0
122.36936	0.8
129.07030	0.8
132.08104	0.8
133.10185	0.9
146.09604	0.8
151.32918	0.7
159.09172	0.7
162.09149	2.5
173.10756	0.9
182.09688	0.8
183.09224	1.0
185.10753	1.1
188.03426	1.3
195.09132	0.8
197.10715	1.1
207.09164	1.0
208.11237	1.0
209.10728	1.7
210.11575	2.5
211.12300	1.7
222.11409	0.7
223.12340	2.8
224.13156	2.8
225.13866	3.8
227.11806	1.6
230.13438	0.7
230.15334	4.1
235.12416	0.8
237.10249	0.8
237.13940	2.4
238.14687	2.1
239.11774	1.7
239.15424	4.3
253.13556	0.9
263.15289	1.0
264.08902	0.9
274.13428	1.1
276.14908	1.3
277.16849	1.0
279.11023	0.8
290.13434	1.1
290.16620	2.1
292.19009	9.9
293.19382	2.8
299.14005	1.8
304.14780	1.1
304.18213	2.7
305.15338	0.7
305.18909	1.1
307.10855	1.0
314.16644	0.8
317.16229	1.5
318.15994	1.4
319.16821	1.8
325.11853	0.8
332.17673	2.1
334.19247	1.2
344.17606	1.2
345.18488	1.1
346.19089	1.3
348.21573	1.3
358.19290	0.9
360.17163	1.0
370.15610	1.2
374.17758	0.8
375.19623	1.3
378.18298	2.3
379.19095	1.4
384.17178	2.6
388.20422	1.6
389.21329	1.9
391.19345	1.8
392.19724	3.6
393.20709	4.7
403.19296	1.4
404.19843	1.0
405.20724	3.2
406.21408	3.1
407.22275	6.3
408.22800	8.8
412.16492	2.0
417.20889	2.1
418.21512	1.8
420.23007	6.4
421.24057	3.6
426.18216	1.4
433.16177	1.1
433.24393	1.4
434.16916	0.9
444.19180	3.1
445.20245	1.5
447.21997	1.0
449.23734	1.0
452.22104	2.8
453.23468	1.0
458.20596	1.4
459.21744	3.1
460.23404	1.4
461.19324	1.2
462.19571	1.6
463.21091	10.1
473.23706	1.5
474.24313	1.3
475.21353	2.7
476.21423	3.6
477.22714	4.7
480.25085	3.2
481.25916	2.5
487.25204	1.7
489.22708	0.9
491.24359	3.2
492.25302	1.3
494.22253	0.8
503.20929	1.1
504.22137	1.3
505.26285	1.4
506.19147	1.6
508.22894	2.3
509.25656	3.5
517.22113	1.5
518.23206	2.1
519.20795	0.8
521.21661	1.7
531.23755	3.9
533.17944	0.8
533.25562	13.4
534.25116	1.0
535.23389	19.4
536.24005	5.8
547.19922	2.2
549.25000	8.9
550.25586	1.7
551.26648	3.9
559.23248	2.1
562.21790	0.9
565.27979	3.5
577.24420	55.1
578.24561	3.2
579.23242	1.0
580.22412	0.9
581.27576	2.1
591.25757	6.3
592.25531	1.0
595.25433	13.2
609.27026	100.0
610.27753	4.8
612.24353	1.1
626.44269	8.4
627.28278	11.5
627.44653	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	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.94205	0.9
53.94476	0.7
55.05510	0.8
66.76187	0.7
67.05496	1.2
69.75345	2.5
71.86377	0.7
79.05512	1.0
79.49696	0.7
91.05501	1.6
94.06560	0.8
122.76624	0.7
130.06503	0.7
131.07346	1.7
132.04498	0.9
136.07584	1.7
138.09117	0.9
140.13454	0.9
146.09651	1.3
158.08549	1.0
174.09114	5.1
182.09689	0.8
183.04669	0.7
184.07715	0.7
187.08754	1.1
187.12343	5.1
188.10707	1.8
199.12335	1.0
200.09355	1.2
209.10870	0.8
211.08751	2.5
212.09494	1.2
215.11887	3.5
216.12402	1.0
223.08696	1.2
224.09468	2.2
225.10226	3.8
227.11829	4.3
235.08810	2.1
237.10246	1.4
239.11955	2.8
241.13396	3.1
243.11299	26.8
249.10220	2.1
250.08794	1.0
251.11714	1.2
253.09688	1.8
263.11703	1.2
265.09726	1.6
267.11285	9.1
269.12909	2.5
277.09805	2.4
285.12439	3.0
291.11047	1.3
293.12775	1.0
295.10815	3.2
299.13919	1.4
301.12534	0.9
301.15637	2.1
302.12991	1.0
304.14603	1.0
309.12387	0.8
311.13852	1.0
314.13022	1.9
315.13675	1.1
316.10898	2.0
316.14383	1.3
318.12372	1.2
319.10739	1.3
320.13953	0.9
323.13989	1.1
325.15564	8.8
327.13400	8.3
328.10846	1.9
328.14496	2.4
330.12271	3.0
330.15982	1.5
334.15598	1.7
342.12527	3.8
342.15982	1.0
343.13065	3.8
344.13916	4.3
345.14819	1.9
346.15622	3.1
348.13339	3.7
353.14941	1.3
354.12302	1.7
355.13101	1.5
356.13892	4.5
357.14871	1.7
358.15601	3.0
359.16177	1.2
360.17233	1.1
370.15625	3.2
371.16690	1.4
372.17157	4.0
374.15100	1.6
384.13174	1.5
386.14890	2.7
386.18930	2.5
393.17212	0.9
398.15054	1.5
400.16733	3.6
403.16135	2.2
412.16946	1.0
418.18259	1.5
419.18564	1.5
420.16629	1.0
421.17062	1.2
423.18292	0.9
430.17862	2.0
431.18762	2.3
432.18994	3.4
435.14008	1.6
435.19281	1.6
436.14850	0.9
437.19781	2.0
444.19373	1.1
445.20190	1.2
447.21887	3.5
449.15326	1.2
450.16507	1.6
451.17581	2.7
452.22256	1.0
460.18805	2.7
461.23303	1.8
462.25125	3.6
463.21646	2.4
464.18524	1.6
465.18918	14.1
466.19498	1.9
476.20013	1.3
477.19376	1.6
478.20169	1.8
479.20425	7.3
480.21576	4.3
481.22491	3.4
489.22720	1.0
490.22012	1.0
491.20978	1.1
492.21646	4.1
493.22961	4.1
495.16623	1.5
503.20731	1.5
504.21182	2.9
505.20398	0.7
506.23264	1.4
507.23834	5.7
508.22336	0.9
517.22296	2.2
520.21155	1.4
535.23450	6.4
549.24982	14.5
550.24988	1.1
553.24017	1.4
563.23700	1.1
567.18719	5.0
567.26086	73.0
568.26764	3.7
577.24414	2.1
585.19312	1.1
595.25464	52.3
596.25946	3.3
609.26862	1.4
627.28088	100.0
628.20306	1.5
628.29773	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	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.4
56.96500	13.8
56.96811	1.5
58.95028	0.3
64.51227	0.3
67.05455	0.7
71.95203	0.8
74.97560	0.6
79.05452	0.8
81.06990	0.9
84.95963	0.9
84.96453	0.3
91.05394	0.5
93.06980	0.4
93.42033	0.3
97.96778	2.7
98.22673	0.5
98.97535	0.6
105.00072	0.4
105.06935	0.4
110.97561	4.3
115.97868	2.1
116.98562	0.5
119.08475	0.3
123.01067	1.0
128.98608	7.5
133.98820	0.7
137.02681	0.7
141.02153	0.5
143.00131	0.7
146.99648	5.4
152.00119	0.6
155.03746	0.7
161.01155	1.6
161.04724	0.4
161.85078	0.4
165.00664	1.0
169.05293	0.4
170.01173	0.3
171.03194	1.1
175.02679	0.7
176.03545	0.5
176.74232	0.3
185.04773	1.1
189.04321	1.6
190.05035	1.0
195.06906	0.5
203.05850	0.6
208.06165	0.6
209.04913	0.4
213.08014	0.4
216.96941	0.3
222.07854	0.3
223.10028	0.5
225.07863	0.6
227.09550	0.5
237.10048	0.4
241.11111	0.8
244.09862	0.5
245.10562	0.8
252.10309	0.6
255.12820	0.6
259.12125	1.4
263.09543	2.4
264.10141	0.6
265.11136	0.7
277.11057	1.0
281.10706	0.8
283.11862	0.4
289.11069	0.5
303.12634	1.8
311.26834	0.4
313.14481	0.6
315.16272	45.5
316.16690	1.8
317.14136	0.6
321.13733	0.6
331.15588	2.3
333.17337	100.0
334.17667	3.2
351.18393	20.8
352.18558	0.7
356.18961	7.6
374.20016	2.8
567.18677	0.4
627.28351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96462	14.1
56.96778	4.0
67.05416	0.4
69.56274	1.4
71.95139	1.0
71.95516	0.4
72.95949	0.5
74.97543	0.5
77.54989	0.3
81.06940	0.3
84.95954	0.6
85.59581	0.3
88.12232	0.3
97.96682	3.2
98.97505	0.7
105.00097	0.4
110.97557	6.3
115.97826	2.1
116.98474	0.8
123.01130	0.7
128.98605	9.5
129.07889	0.3
133.98737	1.3
137.02647	0.8
143.00020	1.2
146.99654	7.5
148.00169	0.4
151.04184	0.5
154.90297	0.4
155.03761	0.5
161.01227	1.7
161.04755	0.5
165.00565	1.2
167.03754	0.7
169.01566	0.4
169.05281	0.5
170.01129	0.3
171.03183	1.0
173.02426	0.4
175.02682	0.7
176.03447	0.5
181.05183	0.4
185.04784	0.9
185.06403	0.3
189.04378	1.5
190.05096	1.8
190.07434	0.3
191.05823	0.4
193.03737	0.5
194.04619	0.5
199.06306	0.6
201.04361	0.4
203.05713	1.3
204.06683	0.8
208.06079	0.7
209.06627	0.4
209.08426	0.4
219.06729	0.4
222.07571	0.5
227.09567	0.4
231.06561	0.4
235.06441	0.5
235.10152	0.4
240.10304	0.5
241.11110	1.6
245.10547	0.6
252.10196	1.4
255.12495	0.5
259.12195	1.6
263.09558	4.0
264.10248	0.8
265.11005	0.5
270.11267	1.1
277.10992	0.8
281.10574	0.7
283.12088	0.4
289.10898	0.4
291.12659	0.4
303.12640	1.6
303.15692	0.4
313.14819	1.0
315.16263	43.8
316.16519	1.7
321.13766	0.6
331.15857	2.5
333.17337	100.0
334.17752	3.5
351.18402	50.7
352.18723	1.4
356.14569	0.5
356.18954	7.8
369.19366	1.3
374.19913	3.9
390.19592	0.4
560.88568	0.4
567.18512	0.6
567.26587	0.7
591.37421	1.2
595.25983	0.4
627.27728	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01862	1.2
55.05507	2.1
57.03438	8.5
57.07051	1.9
61.02917	1.5
67.05511	6.4
68.99776	4.7
69.03425	15.7
69.07047	2.1
69.75069	2.1
69.75459	2.8
70.21380	1.0
71.04987	6.7
73.02893	2.0
77.63719	1.0
78.97984	1.0
79.05476	3.7
81.03411	18.8
81.06564	1.6
81.07049	30.6
83.08636	1.2
85.02895	20.3
85.06533	7.9
87.00814	1.7
89.06015	1.3
91.05495	1.0
93.07051	3.0
95.04977	3.5
95.08595	6.8
97.02882	25.1
97.10159	1.9
99.04452	5.8
99.08073	1.3
101.02373	67.7
105.07050	1.2
107.08601	1.6
108.04498	1.4
109.02863	30.3
109.06488	1.1
109.10145	10.7
111.04442	1.4
111.08062	1.2
114.30404	1.1
115.03884	1.1
119.03407	100.0
119.37615	0.9
120.08923	0.9
121.10084	1.0
123.11698	24.0
127.03902	38.0
127.11174	11.3
128.04195	0.9
131.03401	4.5
133.10080	1.8
137.06026	2.6
145.02782	1.2
145.04967	7.4
151.11130	6.2
161.04449	2.6
166.56773	1.1
169.12245	21.3
173.04462	5.0
180.08662	1.2
187.13260	14.0
188.11264	1.2
197.04520	1.9
227.05489	8.4
245.06531	10.8
249.14886	1.3
259.13141	1.5
263.07584	5.9
269.17398	1.5
277.14236	3.2
313.16415	2.7
367.12869	1.2
413.17990	16.5
431.19009	16.9
623.45142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
55.38684	0.3
57.05811	0.3
58.05862	0.3
58.06149	0.4
58.06594	8.2
67.04227	0.3
70.55293	0.5
71.04969	0.3
82.06573	4.6
83.07353	15.1
88.07614	1.7
88.17699	0.3
89.05967	0.3
98.09684	65.9
99.10022	0.8
116.10720	100.0
117.11071	1.3
136.93173	0.4
139.55887	0.3
151.33302	0.3
154.94142	0.9
172.95218	1.5
181.44475	0.3
190.96239	0.7
210.96730	0.6
225.09048	0.3
228.97914	1.1
252.03142	0.4
252.09962	1.3
294.04083	0.6
312.05130	1.1
312.53949	0.3
317.17828	0.8
320.80380	0.3
326.06631	0.4
440.53076	0.3
453.17102	2.1
471.18103	3.1
474.10306	0.4
512.24500	6.9
552.30933	0.4
557.00446	0.3
568.27051	11.7
568.35938	0.7
569.27753	0.8
628.29248	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	628.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05521	2.1
57.03437	3.5
57.07080	0.7
61.02634	0.5
61.02925	5.5
67.05505	16.2
69.03445	1.1
69.07062	5.3
71.04990	1.1
73.02538	0.4
73.02898	2.4
79.05492	8.8
81.03399	0.9
81.07056	21.0
83.04977	1.9
83.08619	4.3
85.02905	7.6
85.06532	1.9
91.03953	5.4
91.05469	4.2
93.07044	16.1
94.07378	0.6
95.04980	2.0
95.08611	5.5
97.02892	3.4
97.06521	4.0
97.10158	0.5
99.04433	0.5
99.08086	1.6
100.57996	0.4
105.07027	1.6
107.08588	8.4
109.06530	1.1
109.10181	0.8
111.08051	2.2
113.09617	0.6
115.03899	0.5
117.07005	2.3
119.08557	0.8
121.06575	0.4
121.10138	6.0
127.03875	2.0
131.08543	2.5
133.10126	2.7
135.11696	2.6
139.11237	0.5
145.04961	2.0
147.11749	0.5
149.09595	0.5
149.13260	14.3
159.11679	6.0
163.03845	1.2
163.05989	2.5
167.14333	0.7
177.12753	3.7
179.14334	0.6
195.13786	5.0
196.05998	0.5
213.14807	0.6
269.17468	100.0
270.17877	2.1
276.89761	0.5
287.18515	1.7
402.28052	0.4
442.54837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29058	0.6
55.05503	2.5
57.03235	0.5
57.03436	5.8
57.07066	0.9
61.02921	5.4
65.07408	0.6
67.05164	0.8
67.05499	13.7
69.03410	0.9
69.07056	5.2
69.10718	4.8
71.04985	1.3
73.02895	1.9
79.05481	7.6
81.03411	0.7
81.07049	19.6
83.04970	2.4
83.08607	3.9
85.02889	5.2
85.06534	1.4
91.03938	4.2
91.05471	3.8
93.07031	13.3
95.04944	1.3
95.08595	3.9
97.02853	2.3
97.06512	4.3
97.10167	0.8
99.08109	1.1
104.42998	0.6
105.07021	1.6
107.08578	9.0
109.10156	0.8
111.08067	2.9
111.11662	0.6
113.05979	0.7
117.06998	1.9
121.10114	4.5
127.03888	1.6
127.87863	0.7
130.92709	0.6
131.08508	2.0
133.10135	2.5
135.11674	2.9
139.11198	1.0
145.04947	2.3
149.13237	11.8
159.11644	5.8
163.03915	0.8
163.05937	3.4
173.13058	0.8
177.12704	3.8
179.14262	0.7
195.13748	3.9
269.17444	100.0
270.17773	2.7
300.78290	0.6
353.19183	0.7
403.19351	0.6
413.21658	0.9
416.33575	0.7
431.22693	2.3
446.13522	0.9
493.63351	0.8
507.40985	0.7
507.86731	0.7
542.17871	0.6
584.18372	1.3
628.16931	2.3
628.30322	1.1
629.30206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
56.96562	9.4
57.53485	1.3
58.03976	1.3
64.55182	1.2
71.42242	1.5
79.05502	1.5
81.07056	3.0
83.04954	2.4
91.05473	1.4
93.07071	2.2
95.08629	3.8
98.97575	18.7
105.07023	3.9
107.08601	4.1
109.10126	1.5
116.98620	13.5
119.08568	5.1
121.10135	4.6
123.11716	2.6
133.10117	4.7
134.99658	8.1
145.10101	3.0
153.00732	1.5
159.11668	2.9
177.81392	1.1
187.14996	1.8
189.16412	2.2
201.16472	2.4
222.56908	1.4
305.50253	1.3
311.15500	1.5
314.10101	1.3
322.26785	1.4
327.14847	3.5
329.16165	2.3
341.16418	1.6
344.40033	1.4
479.28232	5.3
497.29309	3.8
509.29257	3.5
515.30640	8.5
527.30560	12.1
528.30695	1.7
543.33978	2.1
545.31573	10.6
561.34375	4.1
563.32281	2.6
587.32458	27.0
605.33563	100.0
606.33826	7.8
623.34808	1.6
628.35022	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	628.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92617	1.9
53.03939	2.1
54.77850	2.2
55.01869	4.8
55.05507	15.1
57.03432	6.8
57.07061	3.4
65.03928	3.1
67.05502	73.1
69.03426	3.5
69.07069	22.2
71.04993	34.1
74.28828	2.1
79.05490	44.3
79.82233	1.7
81.03400	3.8
81.07054	100.0
83.04968	11.5
83.08607	10.9
85.06548	7.8
91.05476	46.0
93.07049	43.1
95.04955	11.0
95.08608	25.2
97.06526	9.7
97.10184	3.9
99.08120	2.5
103.05415	2.2
105.04506	3.2
105.07017	29.1
107.04927	4.6
107.08594	27.5
109.06493	5.1
109.10149	11.3
111.08072	3.0
115.05450	1.9
117.06997	12.9
119.08576	17.5
121.06477	4.1
121.10177	12.7
122.38402	2.0
123.08057	3.7
123.11700	13.1
129.07028	3.6
131.08563	13.2
133.10138	24.8
135.08115	5.0
135.11688	10.1
137.09605	3.9
143.08635	2.2
145.10143	6.0
147.11739	4.7
149.09665	6.4
149.13268	12.1
151.11172	7.9
157.10129	4.8
159.11688	8.8
162.09096	2.9
163.11215	3.2
171.11845	2.4
173.13284	2.8
177.05513	2.9
177.12796	4.8
179.14322	2.5
183.11653	2.0
183.13870	5.5
187.13303	5.4
195.13826	6.6
197.36165	2.0
243.15944	3.0
255.15938	3.0
257.17184	2.5
261.58401	2.3
269.17477	9.6
275.20074	14.9
292.19067	8.6
301.20087	18.3
349.23712	12.0
423.27023	11.0
437.29053	14.9
449.29062	10.5
451.30475	14.4
463.30591	10.4
481.31494	6.2
495.33145	40.4
517.35364	28.0
543.36920	4.4
575.39532	5.6
588.89978	2.4
628.28101	3.2
628.45984	11.2
629.22620	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	629.2087
Annotation	Piloside A
Peak:m/z	Relative Intensity
85.02831	0.6
93.05725	0.6
96.99024	0.7
100.11252	1.5
101.29034	0.7
171.42488	0.6
176.49965	0.5
409.15265	3.5
410.14713	0.7
449.14456	3.4
467.15579	38.3
468.15750	2.2
571.20416	3.0
628.44141	1.3
629.20813	100.0
630.20868	8.5
630.29938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2244
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
63.09042	0.3
70.92898	0.6
81.59553	0.4
95.97330	0.3
119.67573	0.4
151.07762	0.4
152.71722	0.4
173.77414	0.4
244.11740	0.5
305.13419	0.4
384.12125	0.4
396.12418	1.6
397.13004	2.5
398.14014	1.3
399.14615	1.1
400.15469	0.7
410.13593	3.3
411.14481	7.1
412.15253	4.5
413.16174	3.2
414.16666	0.8
423.15250	2.0
424.16003	2.8
425.16232	16.4
426.16867	8.4
427.17810	3.0
428.18481	2.5
437.11749	0.6
437.16669	0.7
438.13321	3.7
439.13568	16.4
440.14154	1.5
440.19131	7.1
441.19299	32.2
442.19601	2.7
443.17804	0.6
451.13516	0.6
451.18381	0.6
452.14539	3.8
453.15274	19.0
454.15646	5.1
455.21912	0.5
456.17847	1.5
458.19931	0.5
459.20523	0.5
465.15714	0.5
466.16934	0.5
467.17181	23.9
468.17816	17.7
469.18814	9.9
471.16705	1.1
477.15625	0.6
478.16330	0.6
480.16809	0.5
481.14713	11.1
482.14972	2.7
483.16690	0.4
484.21585	3.0
485.18317	1.5
486.19000	0.8
494.16602	0.5
495.15857	2.3
496.17154	10.4
497.17264	2.0
498.18890	1.8
499.20255	0.5
500.20670	3.3
509.18555	0.9
510.19052	0.5
512.21289	2.4
513.21716	5.0
523.19666	1.6
526.18329	0.9
528.20093	1.0
538.20209	0.4
541.20831	31.7
542.21216	3.5
553.20868	1.1
569.20233	100.0
570.20532	9.3
572.19086	0.9
573.23810	2.2
587.19757	0.5
597.19647	24.4
598.20093	2.1
600.22150	1.4
601.22949	11.6
602.22980	1.3
629.22205	60.3
630.22540	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	629.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23736	1.8
55.05497	4.2
59.54784	1.9
67.05497	5.2
69.07072	3.9
69.24357	12.8
79.05471	4.5
81.07043	7.0
89.20792	2.9
91.05436	2.9
93.07035	4.2
95.08602	2.5
105.07030	2.8
119.08565	3.5
128.21413	1.8
131.60008	1.9
132.08153	2.4
145.10059	3.8
169.88931	1.9
198.55351	2.1
209.10704	2.7
223.12328	3.2
247.12389	2.8
249.13718	2.7
260.11609	3.9
263.11606	2.4
302.12781	2.0
304.14291	3.5
310.39612	2.2
318.16046	4.1
328.18173	2.4
332.17627	2.6
353.17734	3.2
365.18042	3.1
381.21069	2.3
394.17017	2.7
395.18552	5.6
409.20074	12.5
410.20868	5.7
412.20111	3.1
421.20639	2.7
422.17349	2.4
423.21805	4.3
429.20401	4.2
433.19574	3.1
437.23618	2.5
451.21198	2.6
452.22119	2.5
455.24008	4.4
465.22968	3.8
467.20486	5.7
469.22360	3.6
481.26044	4.2
482.23050	7.6
483.24210	10.4
497.25961	10.0
498.25635	6.8
507.24158	2.8
510.21683	2.2
513.24719	3.8
524.21906	2.7
525.24713	31.9
541.24536	2.9
542.24896	3.0
543.25409	6.0
553.22253	79.8
554.22717	6.8
567.25800	4.0
568.24683	2.5
569.23303	3.8
583.25403	3.1
585.27063	100.0
586.26929	9.0
587.25055	13.6
599.99622	2.3
611.24774	7.9
628.45673	2.3
629.26239	27.1
629.36102	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	630.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44383	0.8
67.05498	1.7
69.07053	1.8
79.05493	1.6
81.03407	1.0
81.04535	4.7
81.07060	2.2
83.90649	0.9
91.05499	2.9
93.04534	9.8
93.07044	1.8
95.02441	2.4
95.04963	1.5
95.08622	0.9
103.05448	6.8
105.04530	3.8
105.07033	2.4
106.51080	0.8
107.02477	1.2
107.08604	1.1
109.04002	4.1
113.03500	4.0
117.06985	1.3
118.04050	2.4
119.08613	1.1
120.51607	0.8
121.03989	2.0
121.10185	1.5
129.07066	1.0
131.04916	16.0
133.03992	1.3
133.10132	1.1
149.02354	4.0
149.09547	1.2
153.01833	4.5
153.02951	2.4
159.04317	2.5
160.05061	1.1
161.03528	2.1
166.01350	1.0
166.99762	1.9
167.02155	2.4
174.03023	1.4
177.02901	5.2
178.01338	11.8
179.03387	2.1
187.03821	1.7
189.02948	38.6
189.04654	2.0
190.01398	2.3
193.05035	3.9
197.13391	0.9
201.02904	5.7
208.02510	3.8
214.02457	7.9
215.03282	1.7
217.02438	93.0
218.00856	3.6
218.02931	2.3
221.02135	1.0
225.05519	2.7
228.04088	2.8
229.02420	9.9
235.03461	1.3
240.04065	1.1
242.01933	11.6
242.05653	1.1
243.02542	5.4
254.05591	1.6
255.06581	2.6
256.03610	3.6
257.02023	1.6
257.07990	4.9
261.03702	4.1
268.03503	2.8
270.05023	8.7
282.04993	1.6
282.07675	8.2
294.07785	1.6
296.03125	1.3
298.04657	2.2
302.04172	1.0
308.02991	1.2
322.07297	1.2
324.02524	1.2
326.04034	4.1
338.04016	4.3
344.10400	1.6
348.02664	1.2
349.99231	0.9
366.03629	4.4
372.09946	3.2
374.11493	2.6
385.08975	5.3
386.11581	1.9
394.03030	16.5
394.07657	1.4
400.09384	3.3
412.09369	1.3
430.10532	7.0
434.83350	1.2
442.10297	4.1
456.08401	1.7
469.09149	1.3
470.09677	4.9
481.06570	1.5
493.83606	1.0
498.09323	88.9
499.09778	4.2
516.10211	4.5
526.08820	12.0
527.08966	1.3
544.09851	1.7
602.15552	94.4
603.15924	8.0
630.15033	100.0
631.15405	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	630.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01863	3.1
57.03447	5.2
61.02933	2.2
61.09268	1.0
65.03954	1.7
66.89088	1.0
67.05499	15.2
69.03436	11.0
71.04972	2.6
71.69504	1.0
79.05497	1.4
81.03417	57.6
81.07054	2.4
83.04980	2.2
85.02899	16.5
87.00838	9.0
91.05476	2.9
93.07047	3.2
95.04968	100.0
95.08616	1.5
96.05307	1.4
97.02892	8.4
99.04441	3.7
100.69955	1.0
103.96412	1.0
105.01843	5.2
105.07041	4.9
107.08614	2.4
109.02882	6.7
109.06532	5.0
109.10165	1.5
109.18604	1.0
117.01841	1.1
117.07044	1.8
119.04931	1.3
119.08585	6.5
121.06507	5.9
121.10151	2.5
123.04425	18.0
123.08085	6.3
125.09633	1.4
127.03925	9.3
129.07016	1.2
131.08575	3.3
133.06511	1.8
133.10144	3.7
135.08054	5.4
137.05975	2.2
137.09612	2.7
141.05492	3.1
143.08574	1.4
145.04962	4.3
145.06499	4.4
145.10156	2.3
147.03023	1.3
147.04381	1.8
147.08066	4.5
147.11691	4.1
149.09651	3.4
159.02930	2.6
159.08052	3.8
159.11731	2.3
161.09650	4.0
161.13257	6.0
163.03914	1.2
163.07556	1.6
163.11101	1.1
165.05515	1.5
165.06877	1.1
165.09035	5.0
171.08040	1.3
171.11681	2.2
173.09630	2.2
175.11165	2.6
177.09077	2.3
181.10023	1.2
187.11166	3.0
189.05539	1.2
189.09180	1.2
189.12740	22.7
189.14340	2.0
199.11247	1.6
201.12701	1.5
205.12277	4.0
207.13800	18.3
223.11237	1.3
225.12767	1.5
227.14281	1.4
231.04997	1.2
237.12692	2.2
243.13890	1.7
255.13779	7.5
265.16006	1.5
271.19333	1.3
283.16895	6.2
293.15378	3.1
294.83783	1.0
299.16516	6.7
301.18060	3.2
311.16367	30.4
317.17462	4.5
329.17459	63.0
330.17822	2.4
347.18524	69.6
348.18970	2.5
359.12164	3.7
371.18481	3.0
389.19266	1.4
455.20688	1.6
475.13522	9.5
476.13852	1.2
495.11041	1.1
507.15961	2.0
623.38031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51752	0.3
57.05819	0.4
58.06597	7.8
62.78427	0.3
65.96992	0.3
68.05051	0.4
69.35208	1.7
70.06603	0.4
74.80454	0.3
79.86958	0.3
82.06582	3.8
83.07355	13.8
88.07635	1.7
96.08132	0.7
98.09688	63.4
99.10014	1.0
115.69141	0.3
116.10722	100.0
117.11079	1.1
119.31410	0.3
128.41678	0.4
136.93132	0.7
154.94141	0.8
160.97079	0.4
172.95213	1.1
210.96729	0.8
228.97855	0.8
252.02991	0.4
252.09892	1.7
270.04047	0.6
294.04050	0.4
312.05090	0.6
326.06955	0.5
337.20523	0.7
368.41049	0.4
455.18579	0.8
473.19669	3.8
514.26019	7.4
570.28650	10.7
571.28357	0.5
630.30731	10.0
631.30725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
57.07072	32.8
59.05000	0.8
67.05518	1.0
67.49515	0.9
69.07062	1.2
70.56422	1.4
70.56779	1.1
71.08630	22.6
73.06547	8.2
81.07114	0.8
83.08615	2.1
85.10180	20.0
87.04458	8.6
89.06025	100.0
91.07625	1.1
97.10176	3.4
99.11724	4.9
107.07050	2.2
111.11777	0.9
113.13300	2.1
117.09132	7.7
120.78545	1.0
130.08647	1.1
131.07074	2.6
133.08595	51.3
155.17986	5.8
161.11710	1.8
177.11211	25.1
199.20546	4.3
221.13791	4.5
235.43907	0.8
243.23166	8.4
263.14035	1.0
265.16586	1.0
283.17584	1.3
287.25800	4.7
320.03741	0.9
327.20178	1.0
371.22260	0.9
395.03741	1.1
459.28076	2.2
513.60931	0.9
568.05542	1.0
613.44867	4.8
630.48267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94293	0.8
58.30692	0.8
85.02928	2.7
115.28790	0.9
138.40414	0.8
147.06502	0.8
149.05934	1.1
174.92613	1.0
186.11963	0.9
631.16412	100.0
632.16675	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	631.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71765	0.3
70.06581	0.5
85.02901	0.4
98.22720	1.2
99.16522	0.3
115.02110	0.4
151.07625	0.5
155.03253	0.3
177.05507	0.4
213.50764	0.3
251.07838	0.3
277.92084	0.3
301.08911	2.8
306.09720	0.3
338.08752	0.5
353.12057	5.3
371.11884	0.4
499.17758	4.7
505.44876	0.4
605.35815	0.3
631.22028	100.0
632.22144	6.3
650.36359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18156	0.9
67.05483	1.8
69.07055	3.1
69.23435	0.9
69.73131	1.0
70.58174	1.8
72.09068	1.0
75.01616	0.8
76.79381	0.8
94.06575	6.6
94.88976	1.1
96.19495	0.9
108.08081	1.2
112.07632	1.8
116.05035	1.1
118.69143	1.0
122.06013	18.9
124.07547	1.0
134.05988	1.6
140.07057	29.5
144.04453	2.9
144.95439	1.1
145.05264	1.0
146.06007	11.7
148.07545	1.6
150.99643	1.0
162.05502	2.9
163.06216	1.4
164.54619	0.9
167.03627	1.0
172.03958	16.5
173.04677	3.3
174.05481	13.7
176.07045	5.1
182.23450	1.0
190.04965	3.1
191.05693	1.9
197.10709	1.0
199.12337	1.5
204.06560	34.3
206.08124	12.1
209.10800	1.5
211.08670	1.7
225.10251	4.2
227.11768	12.7
237.10161	1.6
238.11021	1.8
239.11812	3.5
241.09776	1.3
249.10191	2.1
251.07883	1.1
251.11816	3.1
252.08907	1.0
253.09709	2.9
263.08151	1.5
265.09683	2.3
267.11218	2.1
269.12762	9.6
271.10800	4.7
283.10779	7.7
284.11526	4.4
285.12195	6.3
287.13889	27.7
295.10794	1.4
297.12344	2.8
300.12109	1.4
301.12082	4.3
301.15579	1.0
313.11789	34.4
314.12500	4.2
315.13959	1.4
316.14352	3.1
324.11020	1.2
327.17545	1.2
328.14343	2.5
329.11511	2.4
329.15231	1.8
330.12381	2.0
330.15921	5.0
331.12817	8.7
331.16766	7.0
332.17297	1.5
342.12292	5.2
343.13104	4.0
344.13837	2.3
344.17560	4.9
345.14444	23.8
355.13437	1.2
356.13974	4.7
357.14859	3.0
358.15482	4.8
365.11432	1.5
370.11502	1.6
370.15555	1.9
372.16971	4.5
382.11853	3.3
383.12582	2.7
384.13370	10.3
385.14078	3.7
386.14789	4.3
386.19098	2.4
388.16699	1.3
390.18259	5.7
398.14902	12.6
399.15765	21.5
400.16531	29.6
400.21542	2.3
402.14267	1.9
412.16660	2.0
414.18091	5.6
415.18692	1.7
416.16003	2.3
417.16809	6.4
418.17496	8.0
430.17691	2.2
431.18021	1.8
440.16089	2.8
444.15903	1.3
458.17117	32.3
459.17770	21.6
460.18750	4.8
490.19693	3.4
491.20236	4.3
557.23743	2.9
581.24005	7.3
599.24969	100.0
600.25348	9.2
631.27136	2.4
631.36969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65171	0.7
66.15253	1.0
67.05506	1.9
68.05013	1.4
69.07051	5.5
69.12356	6.1
79.05490	1.2
93.05802	1.4
94.06557	8.9
95.04967	1.8
106.06564	1.0
108.08121	2.1
110.06016	0.9
112.07614	2.1
116.04981	2.2
118.06557	2.1
120.04472	1.1
120.08109	1.0
121.05236	1.0
122.06021	29.4
124.07534	1.0
134.06017	3.4
136.07622	1.0
140.07050	47.9
141.51927	0.8
144.04449	3.9
145.05261	1.6
146.05989	17.5
148.07518	4.7
150.68234	0.9
152.07155	1.2
152.29237	0.8
162.05498	2.8
170.09735	0.9
172.02437	1.3
172.03918	25.3
173.04742	4.2
174.05492	25.1
174.06979	1.6
176.07065	8.2
180.08122	1.2
181.04979	1.5
186.09126	1.8
190.04985	6.3
191.05728	2.5
192.06499	1.5
197.10687	2.2
199.08617	1.1
199.12315	3.8
204.06543	43.1
205.06926	1.6
206.08112	18.8
206.09940	1.1
209.10791	1.7
211.08685	3.4
212.09482	2.8
213.10161	1.7
216.10277	1.4
222.11607	0.9
223.08696	1.1
223.12160	0.8
224.09387	2.5
225.10208	8.1
226.10893	2.2
227.11768	18.2
227.14011	1.2
235.08580	0.8
237.10277	3.6
238.10934	2.0
238.93402	0.8
239.11772	5.2
241.09811	2.7
241.13379	1.7
249.10181	2.8
250.11176	1.0
250.78772	0.9
251.08047	1.3
251.11777	4.5
252.08972	1.0
253.09731	3.2
255.11215	1.9
261.12421	2.8
263.08197	2.0
263.11780	2.7
264.09082	2.1
265.09753	3.9
267.11386	2.6
269.12814	17.4
271.10767	6.6
277.09595	2.1
279.11212	2.7
283.10727	14.6
284.11520	8.1
285.12271	8.4
286.13159	1.1
287.10703	1.9
287.13870	37.2
289.12994	1.0
289.60471	1.0
291.11362	1.4
295.10831	2.3
296.11572	1.2
297.12384	5.4
300.12042	1.6
301.12152	4.8
302.12766	1.5
302.16733	1.0
309.12512	2.0
310.13297	1.1
311.14664	1.1
312.15247	1.3
313.11783	46.5
314.12885	4.5
315.13840	2.7
316.14450	7.1
317.15161	1.0
321.12247	1.3
323.10275	2.4
324.11075	1.6
326.16431	1.6
327.13852	1.4
328.10886	1.8
328.14563	3.2
329.11465	4.3
329.15225	3.6
330.12280	3.6
330.16016	7.7
331.12860	7.3
331.16779	9.2
332.17578	1.2
336.11401	1.4
337.11636	1.3
341.11981	1.1
342.12329	7.5
342.15878	1.0
343.13235	4.3
344.13907	2.1
344.17554	9.1
345.14453	20.4
346.15076	1.2
346.19202	1.0
354.16037	2.4
355.13766	2.0
356.13831	6.5
356.17755	0.9
357.14957	3.8
358.15414	11.3
359.16022	1.1
365.11658	1.4
367.13138	1.1
368.13995	1.4
370.11484	1.8
370.15549	4.4
371.16464	1.5
372.17209	6.7
374.18555	2.0
380.13873	2.1
382.11581	4.1
382.16022	1.4
383.12772	3.4
384.13327	14.3
384.17667	1.1
385.13901	5.7
386.14575	6.0
386.18835	3.0
388.16483	3.3
390.18176	7.6
391.18665	1.5
397.15024	1.1
398.14948	17.0
399.15756	30.7
400.16519	43.0
401.16873	2.5
402.14441	3.5
412.16452	3.0
414.18362	7.3
415.18564	2.4
416.15924	2.8
417.16922	10.4
418.17529	13.4
430.17386	4.4
431.18298	2.7
440.16074	5.0
441.16379	1.2
442.17548	1.4
444.15274	1.9
458.17081	47.5
459.17795	29.1
460.18631	7.9
473.68411	0.9
490.19711	8.8
491.20328	3.1
539.22723	1.6
555.25952	2.4
557.23749	5.1
558.24518	1.1
581.24066	9.0
582.23334	1.5
599.24927	100.0
600.25269	8.4
614.23920	1.0
631.26892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87934	0.9
62.26110	1.1
67.05505	3.7
69.03414	1.3
69.07063	4.5
70.06588	1.2
70.73057	0.9
76.05701	1.1
76.85574	0.9
91.05510	1.6
94.06565	9.2
97.06521	1.4
99.09768	0.9
107.08569	1.3
108.08142	2.4
112.07611	2.3
116.05010	1.6
118.06553	1.5
122.06023	22.3
134.05992	4.2
136.07581	1.6
140.07056	33.3
144.04460	4.4
144.08070	1.5
146.05991	17.6
148.07594	3.8
152.07045	1.3
162.05505	3.9
163.03868	2.0
163.06313	2.0
172.02432	1.9
172.03925	34.5
172.07605	1.9
173.04390	1.2
174.05476	12.3
176.07033	9.7
177.05382	1.2
178.08640	2.0
181.04953	3.7
186.09142	1.5
190.04999	3.2
197.10719	1.9
199.08667	1.1
199.12317	2.8
204.06551	60.8
205.07010	2.3
206.08110	25.1
209.10828	1.3
210.09409	1.5
210.11516	2.2
211.08702	3.3
212.09229	1.9
213.10138	1.4
223.08627	1.3
224.09383	2.2
225.10149	6.1
226.10982	1.6
227.11737	14.1
236.09384	1.2
237.10237	4.0
238.11014	2.3
239.11740	6.6
241.09735	3.2
249.10312	2.0
250.11133	1.3
251.08154	1.9
251.11780	4.4
253.09695	3.4
261.12460	2.4
263.11740	2.8
265.09781	3.4
267.11255	2.6
269.12866	11.5
271.10709	5.3
277.09799	2.2
279.11258	4.3
279.32925	1.1
283.10797	12.8
284.11520	8.6
285.12119	5.3
287.13855	32.8
288.14667	2.4
291.10974	1.6
295.10898	2.0
296.11389	1.4
297.12146	5.2
300.11978	1.8
301.12161	4.9
302.13055	1.2
309.12357	1.6
312.15146	2.0
313.11783	16.4
314.13144	2.6
315.13678	3.2
316.14499	9.9
323.10236	1.7
324.11194	2.0
326.16449	1.8
327.13748	1.5
327.17328	2.0
328.14508	4.9
329.11603	2.9
329.15219	3.4
330.12445	3.4
330.16058	7.5
331.12823	7.8
331.16800	10.5
332.17471	1.8
337.11844	1.5
342.12390	8.1
342.15979	2.2
343.13123	6.2
344.13779	3.0
344.17578	7.0
345.14444	25.0
345.18527	1.7
346.14737	1.7
354.16144	1.6
355.13846	2.4
356.13873	8.1
356.17636	1.2
357.14780	3.5
358.15533	9.6
359.15829	1.1
363.15329	1.8
367.13052	3.1
368.13763	1.7
369.14853	1.7
370.11713	2.8
370.15488	4.5
371.16425	1.6
372.17096	6.5
380.14020	1.2
382.11508	6.1
383.12790	2.8
383.27689	1.6
384.13284	15.9
385.14032	4.3
386.14868	4.5
386.18735	4.4
388.16629	2.8
390.18042	9.3
396.17337	1.3
397.14951	1.2
398.14972	15.6
399.15741	29.3
399.20731	2.0
400.16547	37.0
401.16608	3.0
402.14398	3.4
412.16541	3.1
414.18118	7.8
415.18716	3.4
416.16049	3.0
417.16821	9.8
418.17572	14.4
430.17572	3.3
431.17984	1.2
440.15863	4.9
441.16733	1.9
444.15549	3.1
458.17099	52.7
459.17816	29.2
460.18619	7.7
490.19751	11.5
491.20593	8.3
508.21106	1.5
545.32935	3.2
555.26056	2.5
557.23865	6.2
569.32574	1.2
581.23944	10.1
587.34015	8.6
599.24951	100.0
600.25671	7.2
613.32062	1.9
631.26123	8.4
631.32776	24.6
632.27649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.7
60.19402	0.5
60.96627	0.5
62.17252	0.5
67.05499	1.7
67.55465	0.5
70.06574	1.6
88.07622	2.6
91.05473	1.1
93.07034	1.1
95.04963	1.0
97.20232	0.6
102.09204	1.3
108.08154	1.2
109.06543	0.6
109.43851	0.5
121.10164	1.0
122.06025	2.1
124.07544	0.7
131.08524	0.5
136.07565	1.5
138.09103	1.6
146.06004	1.2
147.04422	0.8
147.11565	0.7
148.07579	0.9
149.02327	3.3
150.02692	1.2
157.16678	0.5
172.03940	1.0
180.10135	3.3
190.05002	0.9
193.05025	3.5
194.05382	1.6
196.67755	0.6
204.06570	0.9
210.11485	0.6
222.11598	0.9
223.08716	1.1
223.12328	2.0
225.10286	2.3
225.13788	0.7
228.23260	3.7
229.23587	2.4
235.08771	1.6
236.09338	1.7
237.07751	0.8
237.10181	2.3
237.13913	2.0
238.08922	0.7
238.10907	3.6
239.11749	4.2
248.09204	0.6
248.10936	1.2
248.13011	1.0
249.10265	3.1
250.11002	5.8
251.08189	1.7
251.11784	21.8
252.12579	4.1
253.13219	1.4
263.11713	4.7
264.12601	1.6
265.09830	1.5
265.13345	17.8
266.10565	2.3
266.14032	2.0
267.11435	0.7
273.69397	0.6
275.11795	0.8
276.10010	0.9
277.09857	1.0
278.10440	3.1
279.11331	6.7
280.12036	0.9
281.12759	0.8
283.10751	1.6
283.14023	0.7
291.11209	1.5
292.12045	1.2
293.12814	9.0
297.12305	0.9
298.13086	1.2
310.13156	2.6
311.13821	4.5
321.12216	1.6
323.13934	6.9
324.14258	1.0
325.15457	47.9
326.15839	3.3
338.12888	0.8
342.07120	0.7
351.13303	4.7
352.14072	1.3
353.14917	40.9
354.15286	2.6
371.16101	2.1
383.15967	12.6
384.16617	0.9
385.17572	100.0
386.09442	1.4
386.17957	4.5
429.11902	1.3
430.12076	2.2
446.20343	2.9
450.24164	0.7
474.20285	8.1
478.23303	10.5
506.22864	20.5
507.23315	1.4
509.24072	0.7
510.25845	1.8
599.28461	2.8
631.32867	12.9
636.76636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3062
Annotation	Mesaconitine
Peak:m/z	Relative Intensity
50.99334	0.6
51.01518	1.0
53.03942	1.3
56.51647	0.8
69.03424	1.1
70.06587	2.0
71.05002	1.3
71.08652	0.8
75.04469	1.5
77.03912	1.1
79.05480	0.9
85.02910	2.7
86.30379	0.8
91.05486	2.1
95.04963	7.7
97.02865	1.5
97.06512	1.0
98.23504	2.0
105.03392	52.3
105.04412	3.9
105.07016	1.5
109.06555	1.0
111.08073	1.2
111.69374	0.8
117.07016	1.8
127.03909	1.8
128.06230	0.9
131.08551	1.7
132.08078	1.2
134.09645	0.9
138.09164	1.2
144.08115	0.9
147.04454	1.2
160.07549	1.8
161.02444	1.0
165.06987	1.0
178.07710	0.9
179.08549	0.9
190.07684	0.9
193.10292	0.9
204.13818	0.9
205.10181	1.0
217.10155	0.9
222.08473	0.8
233.09680	1.8
245.11929	1.0
263.10791	1.2
354.16922	6.7
358.20303	1.3
390.22733	1.0
462.22821	1.0
480.23755	1.8
490.22363	1.6
508.23584	3.0
512.26740	3.2
522.24860	2.8
540.26001	3.5
572.28461	14.6
632.30615	100.0
633.30981	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	633.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87913	0.7
69.53835	3.6
79.58480	0.8
98.22722	0.9
109.78049	0.8
112.36728	0.6
130.08655	1.2
157.86595	0.7
186.91666	1.0
281.46103	0.8
308.71176	0.7
633.17810	100.0
634.18268	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	633.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01853	0.4
51.54787	0.4
67.05487	0.5
70.06586	0.5
85.02917	0.4
87.89516	0.4
95.04977	0.5
105.03397	1.3
107.08645	0.4
115.23241	0.3
122.06046	1.0
124.07602	0.4
185.04070	0.4
195.33263	0.4
203.05295	1.3
215.11905	0.5
225.10353	0.4
239.11572	0.5
243.11163	1.9
251.11758	0.8
255.11270	0.6
259.07904	1.5
265.13446	1.2
279.11215	0.7
283.10666	0.6
285.12350	2.8
293.12726	0.6
303.13321	2.3
304.37695	0.4
307.10605	0.5
309.12463	1.1
309.16705	1.5
311.13959	1.3
313.12100	0.4
321.12192	0.6
337.11792	1.1
339.13403	2.4
347.09457	1.1
365.10403	3.2
369.14539	1.1
371.16031	3.1
375.12268	0.4
416.19687	0.4
421.13120	1.2
460.18658	2.5
471.21964	19.6
480.21136	1.4
492.21280	1.4
601.26483	0.5
633.27185	100.0
634.27606	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	633.2922
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
57.45303	0.6
59.69317	0.5
63.61425	0.6
66.16859	0.7
67.05499	3.6
69.07061	1.3
91.05495	1.0
94.06538	3.3
94.89684	0.7
95.08599	1.1
108.08076	0.9
122.06027	9.8
122.06850	0.8
134.06041	1.2
136.07582	5.6
138.09154	1.0
140.07080	1.4
148.07607	1.1
163.03902	1.4
164.07077	5.1
166.08617	3.3
172.07574	0.8
211.12335	0.7
221.10635	0.9
222.11412	1.4
223.08638	4.1
223.12376	1.9
224.13017	0.7
225.10204	8.4
227.11641	0.6
230.50352	0.6
235.08717	2.3
235.12270	1.1
236.09392	1.3
237.10263	3.9
237.13789	2.8
238.10986	3.1
239.11819	5.1
247.12421	0.8
248.09576	2.3
249.10210	4.7
249.13910	0.9
250.10938	8.8
251.08226	3.3
251.11783	17.5
251.14220	1.1
252.12560	3.5
253.09843	0.7
253.13385	1.8
262.11072	0.8
263.11792	14.1
264.12558	4.8
265.09851	2.6
265.13321	20.4
266.10556	1.8
266.14099	2.8
267.11710	1.2
267.14978	3.2
275.11798	0.8
277.09769	1.9
277.13263	1.3
278.10342	2.9
279.11243	8.5
280.11920	1.7
281.12802	3.7
283.10739	5.1
283.14026	0.9
291.11264	2.1
292.12030	0.9
293.12906	6.1
294.13623	1.9
295.10797	2.0
295.14444	1.7
296.11551	6.2
297.12122	3.3
298.13278	1.2
309.12314	23.4
309.15924	1.2
310.12949	2.8
311.13879	29.9
312.14545	1.5
319.10690	1.7
319.91776	0.6
321.12280	3.1
323.10309	0.7
323.13934	0.7
324.11221	1.7
325.11740	1.3
337.11765	12.6
337.15488	1.0
338.12552	3.3
339.13382	20.1
340.14273	1.0
353.14703	0.8
356.94940	0.6
357.14551	1.4
369.14438	44.3
370.15118	4.6
371.16003	60.9
372.16431	2.6
414.18076	1.2
416.19864	3.1
432.19156	6.4
442.18069	1.1
460.18658	24.4
461.19031	1.9
462.20151	1.4
471.21893	1.6
474.20105	1.0
478.19986	2.1
480.21320	15.5
481.21365	1.1
492.21283	100.0
493.21741	6.2
494.22958	0.7
510.22018	1.1
511.23077	1.7
512.23767	2.3
589.35516	0.8
601.26526	5.7
633.25891	7.9
633.35260	4.1
634.28857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2919
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
67.05481	0.5
68.56890	0.2
69.07039	0.2
70.00053	0.4
70.00375	0.2
78.17183	0.2
91.05442	0.3
93.07048	0.2
94.06538	0.5
95.04913	0.2
95.08600	0.4
98.23328	0.2
108.08112	1.0
109.06479	0.1
119.08629	0.2
120.08088	0.5
122.06014	1.6
124.07551	0.3
136.07574	1.4
138.09155	0.9
140.07065	0.8
146.05988	0.6
148.07544	0.6
152.06975	0.2
163.03915	0.4
164.07033	1.6
166.08629	2.5
172.03938	0.5
172.07651	0.2
173.07109	0.2
174.05505	0.5
176.07188	0.2
182.09547	0.2
190.05022	0.3
191.61139	0.2
197.10631	0.3
198.09157	0.3
204.06593	0.4
210.09267	0.3
211.08464	0.3
211.12148	0.3
221.10692	0.4
222.11205	1.0
223.08627	0.5
223.12227	0.8
224.10936	0.3
224.13040	0.7
225.10228	0.5
225.13812	0.5
226.08670	0.4
233.08458	0.3
234.09196	0.2
234.11345	0.3
235.08380	1.1
235.12277	0.4
236.09293	1.0
236.13086	0.2
237.10228	1.9
237.13844	2.3
238.10919	2.9
239.11749	2.7
239.15404	0.4
240.12518	0.3
241.85295	0.2
243.11246	1.2
247.12271	0.3
248.10614	1.0
248.13011	0.3
249.10231	1.9
249.13840	0.4
250.10925	5.2
251.08263	0.9
251.11760	12.9
252.10054	0.2
252.12471	2.7
253.10934	0.2
253.13281	0.9
255.11266	0.3
262.11142	0.3
263.11801	2.0
264.08994	0.3
264.12509	0.8
265.09946	0.9
265.13330	18.7
266.10501	1.9
266.13901	1.5
267.11316	1.0
267.14905	2.7
268.11871	0.2
269.12958	0.3
275.11835	0.4
276.10077	0.4
276.12711	0.3
277.09705	0.9
277.13257	0.6
278.10309	1.3
279.11206	3.9
279.14075	0.2
280.11899	0.9
281.12823	1.3
282.13632	0.3
283.10791	0.7
283.14041	0.3
284.11575	0.6
285.12338	1.0
287.13931	0.2
291.11194	0.5
292.11893	0.3
293.12796	6.9
294.10925	0.4
294.13675	0.6
295.10837	0.7
295.14392	3.5
296.11469	1.7
296.14432	0.2
297.12332	1.3
298.10342	1.0
303.13474	1.0
309.12311	3.5
309.15817	0.2
310.12955	0.5
311.13858	25.3
312.14337	1.1
313.11798	0.7
319.10760	0.4
321.12274	3.4
322.12930	0.3
324.11066	0.6
325.11774	0.3
331.12714	0.2
337.11777	5.9
338.12552	1.4
339.13351	37.8
340.13840	1.9
345.14285	0.3
353.15024	0.3
357.14395	1.7
369.14413	6.1
370.15060	0.6
371.15967	100.0
372.16299	3.7
416.19650	1.0
432.19058	0.8
436.22318	0.4
438.19907	0.2
442.17380	0.3
460.18637	4.6
461.18915	0.4
462.20111	0.6
478.19604	2.3
479.20132	0.4
480.21243	11.7
481.21512	0.7
492.21204	3.9
493.21570	0.4
510.22229	1.4
511.22778	0.8
512.16870	0.2
512.23816	1.6
583.25433	0.7
601.17865	0.2
601.26434	3.8
602.27167	0.3
633.27136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17184	0.2
54.48127	0.3
70.06589	100.0
70.15086	0.3
71.06927	0.6
72.04503	0.3
85.02908	0.2
91.05476	2.0
96.08127	0.4
98.06070	0.8
103.05477	0.9
105.07064	0.3
107.04971	0.3
111.09238	0.4
115.08703	2.2
119.04924	1.5
120.08099	22.4
121.06445	0.3
121.08470	0.5
125.07066	0.2
125.10785	0.4
126.05501	0.5
127.08673	12.0
136.07570	14.7
137.07977	0.2
139.08662	0.3
139.99382	0.2
141.10217	21.9
142.06624	0.3
142.10637	0.5
146.09642	1.2
148.07600	0.9
153.10240	0.7
155.08144	27.5
156.08562	0.3
162.09151	0.6
163.03937	0.5
168.11459	0.3
169.09721	23.8
170.09741	0.7
172.10989	5.3
174.22510	0.3
177.10278	1.1
181.09743	1.1
186.09224	0.9
186.12370	4.8
188.10701	3.8
203.11905	0.4
207.11322	0.8
217.13342	1.3
226.11917	1.0
233.12810	1.2
243.14973	1.6
245.12926	2.7
252.13539	1.1
259.14447	0.6
261.12363	1.2
271.14493	1.0
273.12390	2.1
274.15466	5.2
283.14838	0.3
287.13956	0.6
295.14435	0.5
300.17221	0.4
302.14990	8.0
303.15451	0.4
304.16519	1.7
316.16635	0.5
318.14557	1.0
322.33487	0.2
323.17105	0.6
328.16684	0.5
332.16022	10.3
333.16113	0.3
335.17221	0.5
344.15952	0.3
345.19168	0.5
371.20844	1.0
399.20343	1.0
420.19189	1.7
429.21310	0.3
434.20630	2.0
437.21857	2.4
442.24487	2.7
451.23300	0.6
458.24081	0.7
465.21100	1.6
470.23972	8.5
471.24353	0.4
479.23096	0.8
486.23456	2.7
491.23050	1.0
508.25790	0.9
517.23993	0.4
536.25153	1.3
588.28046	1.7
605.30798	17.6
606.31183	1.2
609.72351	0.3
615.30139	0.6
633.30334	18.4
634.30164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.2
60.79268	0.2
65.65543	0.2
67.05491	0.6
69.03437	0.2
69.06931	1.2
70.06571	0.4
79.05472	0.5
79.45727	0.2
79.48326	0.1
81.03383	0.2
81.07035	0.7
83.78491	0.1
84.21726	0.2
89.06020	0.2
91.05466	0.5
93.07011	0.5
95.04974	0.3
95.08585	0.3
98.98457	2.6
105.07018	0.5
107.08545	0.2
109.10152	0.3
117.06963	0.2
118.06544	1.4
119.08571	0.3
121.10203	0.2
123.07972	0.2
124.99998	7.3
131.08600	0.2
132.08086	0.6
133.08749	0.2
133.10143	0.2
144.08073	10.1
145.08926	0.4
145.10135	0.2
146.09628	0.3
147.11656	0.2
158.09628	4.0
159.10437	1.6
159.11632	0.3
160.11197	0.5
162.09087	0.3
168.87556	0.2
172.11179	3.3
173.11942	0.4
174.12814	0.2
176.14333	10.4
177.14703	0.3
186.12726	0.2
187.13391	0.2
202.15887	92.2
203.16273	2.1
220.16953	9.7
221.17303	0.2
300.13559	100.0
301.13913	3.1
316.70352	0.2
616.37769	0.9
617.37061	0.2
634.38684	2.8
634.47180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
57.07047	0.6
63.04770	0.4
67.05492	0.9
69.07039	0.4
70.55934	0.5
70.56271	0.6
71.08591	1.3
75.71843	0.5
78.20952	0.4
79.05471	1.0
81.07024	1.3
89.06026	2.3
91.05463	1.1
93.07044	0.7
95.04994	0.5
95.08611	0.7
98.98439	1.7
104.84190	0.4
105.06993	0.7
107.08555	0.9
109.10158	0.9
118.06543	5.7
119.08548	0.8
121.06506	0.7
124.99997	7.3
132.08110	1.0
133.08655	2.0
144.08081	14.1
146.09610	1.3
149.09653	0.5
158.09639	4.9
159.10439	2.9
160.11229	0.9
162.09109	2.3
171.23868	0.4
172.11229	3.5
176.10654	1.2
176.14339	20.8
177.11368	1.2
177.14682	0.5
190.12201	0.9
202.15898	100.0
203.16272	2.4
215.91173	0.5
220.16956	76.1
221.17258	1.6
291.23419	0.9
300.13583	69.5
301.13901	2.0
374.17166	0.8
531.08698	0.5
548.48083	0.5
601.40234	0.5
601.50732	0.5
616.37555	4.0
634.38635	21.0
635.39252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.03418	0.8
63.02356	0.3
64.58562	0.2
69.03423	4.0
69.39015	0.2
69.41532	0.9
70.06573	0.4
71.01338	0.5
71.04976	0.4
77.03886	0.2
79.05496	1.0
81.03413	1.5
85.02891	2.0
86.09726	0.2
89.03904	6.0
91.05488	0.2
97.02248	0.4
97.02882	8.5
99.04424	0.6
101.02377	0.4
107.04927	1.9
109.01083	0.3
109.02848	0.7
112.70328	0.3
117.03364	7.2
117.05670	0.2
121.00975	0.2
123.75161	0.3
127.03906	0.9
130.51605	0.2
134.05986	2.2
135.04399	15.2
136.04674	0.3
137.92728	0.2
145.02832	13.0
146.06029	0.5
150.03693	2.0
157.05193	1.1
159.06790	0.5
162.03717	1.5
163.03883	100.0
164.01628	0.8
164.04218	1.5
175.00809	0.3
175.06264	0.8
177.02406	3.1
178.03192	28.5
179.03537	0.6
181.04906	2.5
190.03189	15.3
191.03589	0.3
192.04782	1.1
193.04172	0.2
204.04744	0.4
208.04248	64.8
209.04799	2.1
210.05812	2.4
232.04262	0.6
236.03729	2.4
254.04787	5.7
256.79422	0.2
265.06418	3.8
292.83624	0.2
293.05911	1.1
307.08008	1.5
311.06909	69.9
312.07199	1.3
325.09134	11.8
326.09442	0.3
335.07068	0.2
353.08017	0.5
461.18994	0.4
473.12283	0.3
481.21381	0.3
493.21420	0.3
514.45245	0.2
625.80414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28271	0.9
63.53988	0.8
67.05500	0.9
77.56148	0.9
80.81881	0.9
81.01094	0.8
81.07048	1.3
85.89503	0.8
90.33123	0.9
107.08598	1.1
126.51779	1.0
141.20197	0.8
176.14381	1.0
202.15884	6.9
220.16985	2.5
240.15958	1.0
300.13721	5.4
401.17664	1.8
402.18085	1.2
409.86237	0.9
415.19086	4.1
416.19971	5.9
417.20920	4.8
429.21051	2.2
430.21698	4.8
431.22470	8.9
433.24304	2.3
443.18570	1.1
444.23404	1.8
445.19113	2.7
445.23831	5.3
446.24512	2.6
446.71524	1.0
457.20294	1.2
459.21121	4.2
460.21585	1.8
461.27985	4.5
468.32257	1.0
473.23322	24.0
474.24112	3.6
477.25998	1.1
486.20560	1.1
487.24887	3.5
501.22726	1.4
503.23859	1.5
515.24548	5.3
548.30396	6.0
576.29675	100.0
577.30090	8.4
604.29156	52.4
605.29602	4.2
636.32300	4.3
636.41052	1.6
637.26501	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	636.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
67.05488	0.5
69.07061	0.2
69.86861	0.4
69.87186	0.2
81.07029	0.4
91.05466	0.2
95.08594	0.3
98.23385	0.2
98.98452	2.3
99.14450	0.2
105.06966	0.2
118.06493	1.0
124.99993	5.9
132.08051	0.4
133.08801	0.3
144.08072	8.4
145.08830	0.4
146.09592	0.6
158.09647	3.3
159.10451	1.5
160.11252	0.4
172.11200	2.5
173.11963	0.3
176.14325	10.7
177.14761	0.2
186.12735	0.2
202.15886	86.5
203.16252	1.9
220.16949	9.5
220.19173	0.3
300.13556	100.0
301.13882	2.7
618.39099	1.0
636.40210	2.4
637.26025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98516	0.4
55.05475	0.6
67.05490	0.7
69.07024	0.4
81.07003	1.0
91.69761	0.4
93.07049	0.5
95.04919	0.5
98.98428	1.8
118.06525	3.9
124.99992	6.7
132.08078	1.7
133.08743	0.9
134.79831	0.4
144.08070	11.4
145.08788	0.4
146.09607	1.4
158.09639	4.2
159.10384	2.2
160.11255	1.0
162.09113	1.7
172.11192	3.1
173.11972	0.6
176.10687	1.7
176.14337	20.7
177.11459	0.6
186.12651	0.5
190.12241	1.1
202.15887	100.0
203.16214	2.1
220.16946	76.6
221.17329	1.7
271.18320	0.5
300.13559	70.1
301.14059	2.3
326.88428	0.4
605.23474	0.6
618.39172	5.1
623.99573	0.4
636.40198	21.5
637.40594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.58155	0.4
54.31963	0.3
69.66801	0.8
69.67190	0.7
70.06580	0.7
75.51957	0.3
80.25090	0.3
80.54334	0.3
89.14214	0.3
105.07084	0.4
114.77304	0.3
142.68558	0.3
204.17458	1.1
235.08739	0.3
302.15146	1.1
303.15439	0.5
312.14728	0.5
373.14856	0.6
375.16177	0.6
381.74368	0.4
387.16367	1.1
388.16882	1.1
389.17691	2.0
390.18353	0.7
391.19144	0.4
401.17722	1.2
402.18616	1.3
403.19492	2.8
404.19968	1.3
405.20859	1.1
415.15475	1.1
415.19873	0.6
416.15811	0.8
416.20218	1.1
417.16879	1.9
417.21841	2.3
418.21930	0.7
419.22433	4.0
429.17166	1.4
430.17715	1.0
431.18231	3.6
432.19565	1.0
433.15778	0.5
433.20630	0.7
443.18826	0.6
444.19275	0.6
445.20142	5.0
446.21051	2.8
447.22473	2.6
448.19022	0.4
449.19946	0.9
457.16486	0.5
459.21857	1.2
461.15231	1.9
462.16672	0.4
463.21616	3.5
464.22009	0.6
473.19611	0.4
475.17697	1.7
475.22620	0.5
476.18469	1.4
477.19177	2.1
489.18298	2.0
490.19916	7.5
490.26437	0.6
491.20706	10.9
492.20883	0.5
503.20734	4.2
504.21518	1.5
505.26624	0.6
517.22485	2.1
518.22876	0.7
521.22296	0.4
533.25525	6.6
535.19476	0.9
536.24249	0.4
545.21918	1.0
549.22034	1.3
549.24731	1.5
577.24390	25.2
578.24945	1.5
593.27344	1.1
605.23962	1.2
619.25555	0.9
637.26514	100.0
638.26892	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33033	1.3
58.53907	1.3
69.32053	8.0
79.88805	1.4
97.50443	1.4
265.93381	1.6
393.20874	2.6
400.16830	4.3
401.17545	4.1
407.22397	3.3
413.17850	2.7
414.18323	7.5
415.19278	10.8
416.20050	1.7
417.20920	2.9
421.20587	1.7
425.17657	2.8
428.20197	2.8
429.20981	10.0
430.21954	2.0
431.18637	2.7
442.17783	1.5
443.18271	4.7
443.23157	2.9
444.19241	4.6
445.20242	2.3
457.20215	5.1
458.20856	5.0
471.22455	8.0
472.22510	4.8
473.19608	5.2
474.20493	2.3
484.18896	2.0
485.19879	4.0
486.20590	6.6
487.21368	2.8
488.21921	1.8
490.20380	1.9
499.21375	10.8
500.22003	2.8
503.24377	4.3
516.21362	2.0
517.22284	3.5
527.20746	2.2
528.21112	2.4
531.23877	10.2
543.23834	3.1
559.23401	100.0
560.23669	6.3
587.22809	16.2
619.25476	98.0
620.25696	7.7
637.26447	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32820	0.7
54.92217	0.8
59.90339	0.8
60.08787	0.7
66.39725	0.7
67.05505	1.1
83.09232	0.8
98.22704	2.1
104.05670	0.7
120.08136	0.8
121.68047	0.9
127.29807	0.7
181.56296	0.8
239.08836	0.8
309.17361	1.0
353.66302	0.9
375.16284	1.2
376.17316	1.0
377.17651	2.2
378.18607	1.4
389.18048	1.5
390.18408	1.1
391.19196	3.3
392.19983	2.9
393.20596	4.2
399.16220	1.9
400.16986	3.0
401.17584	3.0
403.19669	1.5
405.20868	2.7
406.21817	1.2
407.22375	7.1
412.17844	0.9
413.17590	2.7
414.18765	4.0
415.19360	9.0
417.20547	2.5
419.18674	1.5
421.20151	5.9
425.17746	1.1
427.19501	2.4
428.20157	3.0
428.75339	0.8
429.21558	5.1
430.21637	2.5
431.18555	1.8
433.20462	1.2
434.21439	1.2
435.21616	6.6
436.22745	2.2
442.17712	1.7
443.18448	3.8
443.22751	3.3
444.18777	3.9
445.20532	4.3
447.18005	2.6
448.18845	1.3
456.19730	1.6
457.20609	4.8
458.21268	5.3
459.22107	1.4
461.19626	2.4
462.20563	1.8
463.21127	1.2
469.15982	1.4
470.17542	1.1
471.22293	9.0
472.23294	4.2
473.19452	4.1
474.20535	4.2
475.16742	1.5
475.22226	1.3
484.19144	1.7
485.19977	4.3
486.20596	7.7
487.22098	4.0
488.21820	1.5
489.18576	2.3
489.22653	5.0
490.19687	5.4
491.20834	3.0
499.21320	11.2
500.22806	3.7
502.19946	1.3
503.24115	3.5
507.23410	1.0
513.19116	9.0
514.19818	1.9
515.20343	1.0
516.21613	2.7
517.22357	18.4
518.23376	0.9
521.25378	2.6
527.20959	2.4
529.22693	2.3
531.24347	13.5
543.24030	1.8
545.21667	2.5
549.24915	8.7
559.23340	82.6
560.23932	4.1
573.21625	1.2
577.24292	2.9
587.22864	14.8
591.25848	5.1
605.23962	7.2
619.25458	72.2
620.25995	4.5
637.26508	100.0
638.27087	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	637.2657
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03931	6.1
57.91006	4.1
70.65931	10.1
72.43636	4.4
79.05476	13.6
91.92924	4.9
94.06560	8.0
95.04966	8.1
104.04977	6.1
134.06012	21.7
170.08347	4.8
172.03983	10.9
178.04953	24.0
182.37259	4.7
199.82770	4.2
204.06538	9.5
235.08667	10.1
236.09377	5.9
237.10153	5.4
249.10204	16.8
251.08290	5.5
251.11766	6.4
253.13281	6.3
277.09778	7.6
285.12512	6.3
309.56775	5.3
312.11255	5.0
324.11322	8.3
325.11984	5.6
326.12723	12.0
337.11743	22.4
340.14554	8.4
352.10648	6.4
354.12189	8.9
366.12454	6.7
368.13785	7.2
404.16226	4.6
417.17361	6.1
461.19876	8.3
470.17310	11.5
503.20483	8.6
535.23395	27.1
564.08148	5.0
577.24109	40.8
595.25189	11.7
605.24036	59.0
637.26581	100.0
638.27112	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59777	1.0
67.36487	1.3
78.92857	1.1
105.01530	1.1
105.51949	1.1
126.90405	1.2
176.83202	1.5
177.28006	1.1
230.89038	1.2
294.66580	1.4
388.17194	1.2
389.18497	1.4
390.18805	1.3
391.19189	2.8
392.19974	2.7
399.16061	2.4
400.16776	2.0
401.18143	2.3
405.20853	5.5
406.21622	6.3
407.22214	1.9
413.17706	3.3
414.18454	4.0
415.19269	4.8
416.19791	1.6
417.21259	1.7
418.21744	1.3
419.22379	3.5
420.22925	7.8
421.23831	10.3
427.19534	1.9
428.20041	4.0
429.20819	13.9
430.21451	4.3
433.19885	3.2
434.24490	3.4
441.16681	1.8
442.21735	1.7
443.22571	7.8
444.23309	7.7
445.20267	4.1
447.17877	2.2
456.19598	1.6
457.24042	4.7
458.24872	7.7
459.21750	8.8
460.22781	6.4
461.19339	10.1
471.22174	1.9
472.22577	8.4
473.19162	2.4
474.20068	1.8
475.21289	3.7
476.22079	4.5
485.23441	14.3
486.19720	1.6
486.24609	3.6
487.22336	1.4
488.22165	6.1
491.23755	1.6
499.21414	1.5
500.22287	2.4
502.24243	1.7
503.24344	23.9
513.22681	3.5
517.26025	9.4
529.26068	1.8
535.27014	23.1
545.19031	1.3
545.25403	84.8
546.25720	7.0
563.26190	6.8
573.24762	18.4
605.27551	85.1
606.27679	6.4
623.68597	1.4
637.30115	100.0
638.30566	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	638.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01855	3.0
56.05030	2.8
67.05511	1.6
69.03423	5.4
81.03415	7.5
85.02902	9.1
86.09692	1.9
87.00816	5.1
91.05475	3.5
94.04200	2.5
97.02894	4.5
99.04435	1.7
103.05491	8.3
104.05305	3.2
105.01861	1.8
105.07024	3.2
109.02870	5.7
109.06478	2.1
115.05410	1.8
117.06983	2.1
119.04883	1.9
120.08080	1.7
122.03650	6.9
127.03910	7.0
128.06238	1.6
129.07018	7.9
131.04938	17.1
133.06499	2.9
133.10139	1.8
135.04292	1.6
135.08083	1.6
137.05975	100.0
138.06313	2.5
143.04887	2.4
144.05771	1.7
145.04990	2.9
145.06470	2.5
147.04393	3.1
151.03917	9.7
155.04929	12.1
157.06493	5.3
159.02914	2.1
160.05193	2.4
161.05928	6.8
163.07558	24.8
171.04353	1.4
172.05177	4.7
173.05922	3.7
175.04056	1.7
175.07579	2.1
183.04407	11.3
187.04037	1.7
187.07547	7.5
189.05525	10.1
200.04713	13.3
201.05437	9.8
203.07008	2.6
205.06581	3.2
205.08383	1.6
207.06517	25.3
208.07120	1.8
215.07016	56.7
216.07397	1.6
219.06558	1.8
222.06778	2.1
224.74547	1.4
233.06075	3.7
233.08075	62.5
234.06555	2.8
237.09111	5.4
248.08224	1.8
250.06204	4.0
262.06308	2.3
264.07849	2.1
265.08597	11.4
266.09439	2.1
277.05032	1.5
277.08554	4.2
278.05560	1.9
290.05704	5.4
292.07379	4.0
293.08105	8.8
297.11108	6.9
303.35635	1.3
305.08185	9.7
307.09644	8.3
310.08115	1.8
321.11182	3.5
323.09235	3.9
325.10696	21.0
337.10706	18.9
339.12247	44.5
343.11746	9.9
355.11850	9.5
357.13321	4.1
415.11832	2.2
546.72089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34853	0.4
55.01872	0.7
57.03436	3.0
61.02908	1.9
61.96400	0.4
69.03424	4.5
70.50853	0.7
71.01347	0.9
71.04993	5.7
73.02915	13.9
81.03403	0.7
83.04972	3.9
85.02901	11.9
87.04465	0.6
89.03908	2.2
94.15936	0.4
97.02889	8.3
98.22777	0.5
99.04458	0.9
103.03868	0.6
107.04942	0.9
111.04468	2.2
113.05930	0.5
115.03905	3.3
117.03367	3.5
121.54739	0.4
127.03877	0.7
129.05441	3.0
133.04938	2.0
135.04416	8.2
145.02844	7.5
145.03944	0.8
146.03214	0.4
146.59773	0.4
147.06534	2.3
163.03894	100.0
164.04198	2.1
165.96063	0.4
181.04918	3.9
185.70244	0.4
205.13017	0.4
223.78130	0.4
225.07555	1.2
243.08791	0.5
307.08087	1.4
309.09662	0.5
325.09161	24.3
326.09543	0.6
556.02545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01852	2.8
55.05499	7.0
57.03422	3.4
57.07053	2.6
59.04992	1.4
61.02909	3.9
67.05496	12.8
68.99778	2.0
69.03421	22.3
69.07062	3.7
70.06567	0.9
71.01335	0.7
71.04985	9.6
71.44613	0.9
73.02902	2.2
79.05482	4.9
81.03411	18.8
81.07048	71.2
82.07383	0.9
83.08594	2.7
83.15152	0.7
85.02895	43.3
85.06522	3.4
86.42223	0.8
87.00819	22.2
89.06011	2.4
91.03950	1.1
91.05453	1.4
93.07032	8.0
95.01317	11.2
95.04971	3.8
95.08595	17.3
96.36228	0.7
97.02882	36.3
97.06501	1.0
97.10162	9.8
97.25594	0.7
99.04442	8.5
99.08085	1.7
105.01852	21.1
105.07027	2.1
107.04929	1.3
107.08598	3.7
109.02869	30.7
109.06528	3.4
109.10141	2.8
111.08083	3.6
113.02357	8.4
113.05972	1.1
115.03934	1.1
117.01808	1.7
119.08532	1.2
121.10119	1.7
123.00790	13.9
123.08102	1.2
123.11693	76.1
124.12003	1.8
125.02363	4.0
127.03905	42.0
129.01825	4.0
129.42969	0.7
133.10127	5.3
135.04419	1.0
141.01823	7.3
141.12758	3.4
141.64523	0.8
143.03407	3.6
145.04922	8.8
147.02846	1.8
151.10030	1.3
151.11159	15.8
159.02892	6.8
169.01291	5.5
169.12222	72.2
170.12581	1.5
175.14804	2.4
181.04872	1.0
187.02385	1.9
187.13274	100.0
188.13618	2.4
195.02856	1.8
212.21521	0.8
213.03914	10.0
231.04974	10.8
231.13745	1.6
249.06042	2.8
249.14900	1.0
277.14325	1.9
295.15463	1.4
297.82129	0.7
313.16489	2.0
325.10712	2.5
343.11499	0.9
353.15604	0.8
363.14081	0.8
381.15106	3.3
399.16449	34.9
400.16754	2.0
408.98224	0.6
417.17490	44.9
418.17691	2.4
427.15668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.22102	0.2
55.01865	0.8
55.05501	1.6
57.03431	0.5
57.07063	0.2
61.02911	0.4
67.05505	0.4
68.99782	0.3
69.03423	1.9
69.06713	0.3
69.07065	4.9
69.47336	0.8
70.06587	0.3
71.04974	0.3
72.08170	0.2
73.02902	0.5
74.03096	0.2
76.26873	0.2
79.05491	0.7
81.03418	1.9
81.07052	1.3
83.08617	1.1
85.02410	0.3
85.02901	5.2
87.00813	2.7
91.05477	1.9
93.07033	1.6
95.04955	0.4
95.08603	3.8
97.02897	2.1
98.65670	0.2
98.77036	0.2
99.04474	1.1
105.01871	2.3
105.07025	5.2
107.04955	3.5
107.08586	2.2
109.02882	2.1
109.10149	1.6
115.03876	0.4
117.01839	0.3
117.07007	0.8
119.08574	24.5
120.08903	0.6
121.10135	2.0
127.03909	3.3
131.08566	0.8
133.10123	20.6
135.11687	0.9
137.09604	0.6
145.04950	1.5
145.10127	1.7
146.10904	0.3
147.02831	0.2
147.11665	3.9
159.02892	0.9
160.12450	0.9
165.09106	0.2
173.13266	0.7
175.14810	100.0
176.15158	2.6
177.16371	2.3
187.14684	0.3
193.15887	4.8
231.05025	1.2
249.06017	0.5
277.01361	0.2
423.19980	0.3
638.22192	0.3
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
53.03950	0.6
55.05506	3.2
57.03431	0.5
57.07072	0.8
67.05502	2.4
69.03423	1.3
69.07069	7.7
69.59528	0.8
69.59919	0.7
70.06591	0.6
71.04993	1.2
72.08155	0.6
77.03963	0.3
79.05475	1.0
81.03415	0.6
81.07050	4.5
83.04987	0.6
83.08622	1.9
85.02898	3.5
86.68246	0.4
87.00849	0.5
91.05475	5.1
93.07034	2.5
95.04968	0.5
95.08604	8.5
97.02891	1.4
105.01837	0.6
105.07027	11.4
107.08591	6.5
109.02879	0.8
109.10150	5.9
115.05299	0.3
117.07040	1.7
119.08575	49.3
120.08900	0.5
121.10171	2.5
123.08085	0.5
123.11697	1.0
127.03901	1.0
131.08574	1.2
133.10124	29.3
134.10455	0.6
135.11674	2.8
137.09627	2.1
145.04951	1.3
145.10106	1.3
147.11681	4.8
149.13347	0.4
151.14795	0.5
159.11653	0.3
160.12474	1.2
169.01294	0.4
173.13242	1.0
175.14813	100.0
176.15182	2.1
177.16360	0.7
181.04936	0.7
193.15886	14.5
205.84175	0.3
209.15453	0.5
215.14156	0.3
231.04866	0.4
233.10182	0.5
255.85970	0.3
355.13797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11918	0.9
53.03931	1.9
55.01871	2.8
55.05508	2.9
57.03432	2.9
57.07092	1.1
58.49648	0.9
59.04980	1.0
61.02929	3.3
67.05499	2.6
69.03430	14.5
69.07064	7.0
69.19450	6.2
70.06583	1.2
71.04987	4.2
73.02905	2.9
79.00443	1.0
79.05494	1.5
81.03419	8.8
81.07050	6.3
83.08604	5.2
84.55389	0.9
85.02904	43.4
85.06525	1.5
87.00826	19.0
91.05488	1.2
93.07039	6.5
95.04956	2.7
95.08603	10.7
97.02888	15.1
97.06532	14.1
99.04429	4.7
99.08118	1.2
103.03961	1.2
105.01871	31.6
105.07054	4.7
107.08573	6.2
109.02877	13.1
109.06522	10.8
109.10153	4.1
111.04438	1.0
111.08102	2.6
111.11727	1.9
115.07550	1.6
119.08570	13.7
121.10145	5.0
123.08054	8.9
123.11721	6.7
127.03910	28.0
129.01802	1.0
133.10124	25.9
135.11697	19.2
137.09631	5.8
137.10497	1.0
141.12781	1.1
145.04936	7.9
147.04477	1.1
147.11610	1.2
149.13272	13.9
151.11232	1.0
153.12759	3.5
159.02921	3.0
163.03961	2.2
165.12778	2.2
175.14821	36.5
181.04828	1.0
189.03784	1.3
193.15881	65.2
194.16269	2.0
209.15329	1.7
211.16928	100.0
212.17244	2.3
213.03937	2.5
231.05029	8.8
249.05981	5.0
253.17957	3.2
328.13690	1.1
339.04349	1.0
375.09268	1.4
409.85367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04104	0.5
67.05503	0.8
69.17525	3.2
70.55802	0.5
73.87777	0.5
79.05477	0.8
81.07082	0.5
86.48220	0.5
91.05523	0.9
98.23421	1.2
105.50082	0.6
117.05757	0.7
118.06544	0.7
119.08516	0.6
120.08130	1.4
122.60989	0.5
144.08052	0.6
196.09814	0.6
197.10744	0.8
204.06638	1.0
207.09219	1.2
209.09032	0.6
209.10684	2.6
210.11586	1.4
211.12378	1.2
212.12978	0.8
221.10776	1.7
222.11517	1.3
223.12379	1.9
224.13174	0.9
225.10240	0.9
225.13956	3.2
226.14673	0.8
233.10934	0.7
234.11552	0.6
235.08679	1.0
235.12357	1.6
236.09180	0.6
237.10301	1.3
237.13876	3.6
238.14626	1.0
239.15401	1.6
247.12393	0.7
249.10315	3.2
249.13901	1.2
250.10817	0.5
251.08133	0.8
251.11803	1.4
251.15456	0.5
259.12286	0.7
261.14044	0.7
263.08069	0.6
263.11963	0.8
265.13409	1.0
269.12885	1.0
275.15390	0.6
276.16040	0.7
277.09702	0.7
281.09198	0.5
293.12619	0.6
295.10800	0.8
300.11569	0.6
300.15207	0.6
314.13159	0.6
316.14246	0.5
323.10214	0.9
338.12894	2.1
339.13370	0.9
350.12750	0.9
352.14487	1.6
354.12274	0.7
366.16193	1.1
368.17758	1.1
382.15634	0.7
387.16504	0.6
389.17709	0.8
394.15378	1.0
399.16782	0.6
402.18588	0.7
403.19418	1.5
411.15549	0.8
412.16745	1.0
415.15231	0.7
415.19946	0.7
416.16040	0.7
417.16980	1.7
417.21509	0.8
426.18100	0.6
427.15884	0.5
429.17209	1.7
430.18198	1.2
431.18475	3.1
433.20306	0.8
443.18927	1.8
445.20609	3.8
446.21341	2.7
447.21732	3.7
448.22696	0.9
454.17667	1.4
456.15588	0.6
457.20517	0.8
458.21497	0.8
459.17438	1.0
459.22760	0.9
460.22656	0.7
461.24234	0.7
472.18991	1.6
473.19278	0.9
473.24405	0.7
474.20282	3.0
475.21008	3.8
476.21420	0.8
477.23431	0.7
487.21466	2.6
488.22266	0.9
489.23154	0.8
501.23270	2.3
502.20407	0.9
503.24817	1.1
505.18915	0.7
507.24042	0.8
509.25861	0.7
515.20697	1.6
517.18347	0.6
519.24213	3.2
529.22766	1.1
531.24127	0.8
533.21313	0.7
534.22760	1.1
537.25238	0.9
547.23407	20.6
548.23669	1.7
563.26807	0.8
565.24500	1.2
569.27686	0.8
575.22803	5.1
579.25470	1.2
597.27240	6.3
598.26672	0.6
607.25470	100.0
608.25812	7.1
621.26520	1.0
639.26044	8.2
639.40179	4.9
640.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08941	0.4
56.59685	0.4
61.91090	0.4
67.05498	0.6
68.39104	0.3
69.07077	0.4
79.05509	0.8
83.92111	0.4
91.05499	0.6
94.06555	0.6
94.48497	0.3
98.23532	0.9
105.07034	0.8
106.06559	0.5
117.00369	0.4
118.06531	1.0
120.08062	0.8
134.06009	1.3
138.87086	0.4
144.08089	0.5
159.09155	0.5
168.08031	0.8
172.03976	0.7
173.10849	0.5
178.28804	0.4
195.09180	0.8
196.09906	0.4
197.10834	0.9
198.47331	0.4
204.06586	1.7
207.09245	1.2
208.09999	1.2
209.10710	2.6
210.11429	1.9
211.08665	0.4
211.12355	1.1
212.13101	1.0
220.09880	0.7
221.10780	1.6
222.11526	1.3
223.08725	1.0
223.12251	3.0
224.13077	1.7
225.10272	1.5
225.13857	4.1
226.14575	2.0
233.10716	0.5
234.07924	0.7
234.11470	0.7
235.08717	1.2
235.12328	1.6
236.09480	1.0
236.12965	0.6
237.10297	2.1
237.13907	3.9
238.14604	0.9
239.15469	1.6
247.12274	0.7
248.13002	0.5
249.10167	3.6
249.13908	1.6
251.08186	1.7
251.11801	1.3
260.13248	0.4
261.10205	0.5
263.11975	0.7
264.12488	0.5
265.09824	1.0
265.13412	1.5
267.11301	0.4
269.12891	2.0
270.13635	1.2
273.14044	0.7
274.14612	0.4
275.15479	1.2
277.09796	1.8
283.14453	0.8
293.09229	0.8
293.12860	0.7
295.10760	0.6
298.13318	0.8
305.09338	0.5
313.15640	0.5
314.12961	1.0
316.14453	0.5
322.09756	0.5
323.10397	0.5
324.11377	0.6
324.15057	0.9
325.12122	1.0
326.12851	0.5
328.14523	0.6
336.11526	0.6
337.12051	1.8
338.12845	3.2
339.13657	1.7
340.14474	0.5
342.15891	0.6
350.12949	0.6
351.13593	0.9
352.14496	1.1
354.12305	0.7
354.16257	1.0
356.17737	0.7
362.12720	0.4
365.15311	0.5
366.12100	0.7
366.16089	1.6
368.13724	0.8
368.17670	1.7
370.15375	0.8
375.16068	0.7
380.13992	0.5
382.15591	0.7
384.17044	0.5
386.15643	0.5
387.16586	0.6
388.17050	0.6
389.17831	1.2
390.18372	0.6
394.15530	0.8
396.13480	1.3
396.17920	0.6
400.17517	0.5
401.18277	0.9
402.14261	0.5
402.18973	0.9
403.19147	1.5
410.15125	0.7
411.15613	0.6
412.16553	1.4
415.15430	1.4
416.16406	1.6
417.16449	3.0
418.17538	0.8
419.18436	0.5
424.13016	0.6
427.16037	0.5
429.16901	2.9
430.17938	1.7
431.18277	4.1
432.19513	1.6
433.20297	1.1
443.18906	2.3
444.19577	1.4
445.20352	4.8
446.21106	5.3
447.21719	5.3
448.22214	0.7
454.17532	2.2
457.20709	0.6
458.21735	0.9
459.23056	2.7
460.22781	0.8
461.19336	0.5
461.23761	0.6
471.17944	1.1
472.18658	2.0
473.18750	0.8
473.23730	1.4
474.20322	3.7
475.20737	4.6
476.21912	1.3
477.22925	0.5
487.21539	4.6
488.21814	1.1
489.23254	0.8
492.21573	0.7
501.22958	3.2
502.20041	0.6
503.24750	0.9
504.21381	0.6
505.22147	1.9
506.23004	0.7
515.20593	1.6
516.21765	0.7
519.24042	4.6
529.22449	1.7
531.24188	1.0
532.20935	0.9
533.21985	0.7
534.22638	1.6
535.22791	0.5
537.21411	0.6
547.23413	23.8
548.23297	2.6
557.22174	0.7
561.25006	4.4
562.25769	0.7
565.24524	0.9
575.22913	4.8
579.25922	0.8
589.24524	1.8
607.25470	100.0
608.25836	7.7
610.31824	0.4
621.27051	6.3
639.27966	2.8
639.40179	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01877	0.3
62.17089	0.2
67.05510	0.7
69.07072	0.4
69.76345	0.4
69.76752	0.7
73.74788	0.2
79.05479	0.9
79.75547	0.2
81.07038	0.6
91.05511	1.0
93.07067	0.7
94.06567	0.2
95.04987	0.5
95.08616	0.5
97.10148	0.3
99.56480	0.2
105.07023	0.6
107.04970	0.2
107.08606	0.3
109.06522	0.5
117.07036	0.4
119.08579	0.7
120.08176	0.2
131.08582	0.3
133.10139	0.3
135.08118	0.4
143.08575	0.3
145.10129	0.4
155.11882	0.2
157.10162	0.3
158.93401	0.2
162.49901	0.2
163.11220	0.3
165.58090	0.2
168.08081	0.3
173.13231	0.3
180.10287	0.2
182.85582	0.3
199.02817	0.2
204.06549	0.5
209.10701	0.3
213.10315	0.5
223.08798	0.4
225.10236	0.6
235.12361	0.3
237.10423	0.3
239.11818	0.5
249.10278	0.7
251.07924	0.3
251.11761	0.3
263.35040	0.3
273.18536	0.4
277.09732	0.3
291.19531	0.5
299.81140	0.2
311.14294	0.3
312.11365	0.2
316.14404	0.4
326.12888	0.4
328.14575	0.4
340.14603	0.3
379.19370	0.5
386.14352	0.3
391.15439	0.7
392.16449	0.7
393.17178	1.0
393.21161	0.7
402.18289	0.3
405.17166	1.0
406.17944	1.0
407.18408	2.4
408.19391	0.6
417.16821	0.5
418.18170	0.3
419.14398	0.7
419.19528	1.4
420.15442	0.8
420.19760	1.0
421.20480	5.6
422.21027	1.9
423.21585	0.6
431.18970	0.7
432.19623	0.7
433.16162	0.8
433.20364	1.3
434.16678	1.7
435.17267	2.7
436.23029	2.6
437.23288	0.6
445.16516	0.8
446.16949	0.4
447.21890	1.6
448.18509	3.2
449.19641	10.2
450.20471	3.4
451.21234	0.6
459.18149	0.9
460.18719	0.5
461.19519	1.4
462.20447	0.7
463.21640	5.6
464.22098	6.7
465.22708	1.1
473.19598	0.6
474.20847	0.8
475.21707	2.0
476.22803	0.3
477.18777	6.5
478.19833	2.7
479.20575	1.1
491.20874	0.8
492.21616	1.3
493.22537	1.4
495.24362	0.6
503.20465	0.4
504.21313	0.4
505.22214	1.0
506.22610	0.3
507.24844	1.5
509.21634	0.5
509.25247	0.3
519.23511	0.3
521.22119	0.9
522.26501	0.3
523.23096	2.2
533.21149	1.5
535.23615	4.0
536.24176	1.3
537.22467	1.0
547.23206	0.3
549.20923	0.6
550.25867	1.4
551.26660	3.0
561.25018	3.7
562.24622	0.4
563.23102	0.7
564.23627	4.3
565.24463	2.6
567.25745	0.8
579.25989	7.1
580.26428	0.7
581.24182	0.7
592.23242	0.4
593.26917	0.3
595.25452	2.5
596.26123	1.0
597.26929	0.8
607.25470	1.2
610.27710	1.0
611.28558	0.6
621.27167	3.5
622.26678	0.5
624.25696	4.9
639.28082	100.0
640.28394	9.5
640.39288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19559	1.0
55.01878	1.6
55.05508	4.1
57.03442	2.7
61.72422	1.1
67.05506	6.7
69.07078	2.9
69.50891	1.1
79.05491	5.3
81.07050	5.9
83.08637	1.6
85.06583	1.3
91.05473	4.6
93.07054	5.0
95.04980	3.7
95.08588	3.9
97.06524	1.6
97.10145	1.7
105.07040	4.2
107.04944	1.3
107.08611	4.3
109.06531	2.2
109.10178	1.8
113.06005	1.8
115.05444	1.4
117.07024	3.2
119.08581	4.0
120.08131	1.3
120.61864	1.1
121.10159	1.9
129.07062	2.0
131.08549	3.5
133.10149	2.6
135.08041	2.1
145.10120	2.0
147.08121	1.5
147.11641	1.6
157.10085	1.6
163.11255	1.5
169.10138	2.0
195.09132	1.4
207.11595	1.4
223.12331	2.6
237.13928	2.0
238.14610	3.6
264.08859	1.2
273.18216	1.9
275.19910	1.5
291.19415	5.8
307.41333	1.3
340.14578	1.3
387.15967	1.4
391.19138	1.4
403.19019	3.2
405.20956	1.9
416.19748	1.8
420.23438	1.7
431.18307	2.1
432.19080	1.4
433.20432	1.9
443.18594	2.3
445.19614	3.0
446.20932	2.3
447.21902	1.4
449.19797	2.4
459.21643	2.2
460.22318	2.6
461.23468	2.8
463.21268	2.3
473.23691	16.7
474.23480	1.4
475.25262	1.4
479.24353	4.3
487.21259	1.7
488.22137	2.8
489.23132	3.4
501.23303	5.7
503.24350	3.8
505.22229	2.4
507.23969	17.1
519.24292	3.1
523.24005	2.0
529.22577	1.8
531.23676	6.3
533.22083	1.7
547.23358	3.8
548.24176	3.7
551.26227	2.3
557.21985	2.0
561.24731	3.8
575.22858	22.9
576.23334	1.8
579.26611	7.4
589.24487	2.9
597.27197	6.3
607.25482	100.0
608.25647	11.4
621.26794	5.0
621.41333	1.9
639.27686	28.7
639.40613	11.6
640.28278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01864	4.3
55.05500	5.8
67.05492	6.5
69.03416	10.0
69.07058	24.4
69.46294	6.5
69.46678	3.6
70.06583	2.1
71.04984	6.2
73.06554	3.3
79.05489	18.7
81.03405	3.9
81.07056	6.6
83.04976	71.5
85.02900	3.5
88.25109	1.6
91.05462	13.6
93.07021	11.4
95.04948	7.8
97.02899	3.5
97.06522	55.2
99.04431	14.3
101.05978	3.5
105.07020	49.3
107.04910	8.1
107.08578	10.4
109.06512	9.0
111.04446	2.2
112.80020	1.6
113.06001	2.6
113.66731	1.8
115.05534	1.9
117.06989	8.7
119.04931	2.3
119.08570	9.1
121.06497	30.6
121.07327	2.5
121.10126	2.3
125.05981	100.0
126.06398	2.2
127.03915	1.7
128.06207	2.0
129.06989	4.7
130.07803	3.2
131.08560	16.4
133.06482	7.4
133.10132	3.0
135.08028	2.7
135.11719	4.1
137.05963	6.2
141.07013	2.3
143.07021	74.6
143.08528	6.7
144.09311	2.0
145.06479	9.9
145.10109	80.9
146.10432	3.1
147.08075	4.7
147.11729	4.0
151.07529	14.8
154.07768	3.8
155.08524	4.9
158.07239	8.4
159.08046	9.1
159.11685	34.4
159.12949	2.5
160.64107	1.9
161.09663	1.8
161.13312	2.3
163.03938	6.8
163.11137	13.8
167.92165	1.7
169.10158	8.0
171.11592	1.8
172.08850	4.7
173.09613	71.2
174.09933	1.9
177.12732	13.6
187.11160	61.7
189.12743	4.9
191.10657	27.2
197.09639	7.8
205.12210	60.6
209.11761	6.0
215.10649	62.9
215.33878	1.6
216.11009	2.6
233.09372	3.0
233.11707	52.7
235.09410	1.6
249.48280	1.8
251.12805	19.2
306.07733	2.2
441.23514	1.6
445.62317	2.4
449.48279	1.9
464.58981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88950	1.2
55.01875	2.1
55.05506	9.6
57.03414	1.8
58.92361	1.2
59.39481	1.0
67.05505	6.2
69.03426	10.9
69.06702	1.8
69.07061	20.3
69.29198	6.6
70.06581	1.3
70.67559	1.1
71.01347	1.7
71.04981	4.0
73.06546	2.0
79.05486	15.4
79.37229	1.2
81.03400	3.2
81.07049	12.2
83.04971	32.7
83.05438	2.1
84.04513	1.1
85.02881	8.9
85.06496	1.0
89.02389	1.9
89.72130	1.1
91.05472	20.7
93.07040	39.7
95.04944	6.1
95.08603	9.2
97.02895	2.8
97.06522	31.5
99.04455	2.9
99.62470	1.3
101.06013	2.4
103.05485	1.3
105.04530	2.7
105.07019	63.2
107.04973	1.7
107.08583	20.7
109.06504	5.6
109.10164	3.0
117.07042	6.0
117.95282	1.2
119.08574	39.4
121.06474	3.5
121.10134	60.0
123.08051	2.3
123.11697	1.6
124.26516	1.2
125.05981	62.8
127.03887	2.3
128.06232	3.0
129.05452	3.3
129.06987	3.3
130.07729	2.8
131.08536	10.1
133.10110	18.0
135.11673	6.1
137.05956	3.1
139.07507	5.6
142.07726	5.4
143.07024	78.7
143.08545	13.5
144.07301	1.4
144.09180	1.2
145.04984	2.8
145.10107	24.6
147.11671	100.0
148.12067	1.6
149.09595	8.1
149.13254	1.4
151.07498	2.3
155.08484	2.0
156.09331	3.2
157.08734	1.5
157.10110	29.3
159.11691	11.4
161.09608	2.7
161.13196	2.4
163.03938	1.4
163.11192	1.4
165.09082	2.3
169.08653	2.3
169.10040	1.7
170.08058	1.4
170.10861	3.3
171.11621	5.6
173.13252	3.0
175.11131	2.9
175.14807	3.8
183.10156	3.0
183.11703	2.5
185.13237	23.9
187.11035	2.5
187.14796	4.7
189.09038	1.6
197.13046	1.1
199.11165	1.2
199.14793	10.5
199.51663	1.3
201.12794	1.4
201.16391	2.1
203.10692	6.1
203.14217	5.4
205.12262	2.4
217.12242	1.5
217.15880	3.4
219.13724	5.8
219.17355	1.7
227.14313	4.3
229.15680	1.8
237.14801	1.6
245.15350	60.7
246.15631	2.1
247.16850	6.3
262.11417	1.3
263.16400	68.8
264.16534	1.5
265.17841	1.1
266.16382	1.1
275.16583	1.3
287.16437	1.4
389.19019	1.6
588.83954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
53.56048	1.8
55.01875	8.5
55.05510	28.1
57.03437	8.0
57.07080	6.7
65.03925	5.9
67.05505	83.4
69.03432	39.3
69.07069	26.2
70.11819	4.4
70.12152	4.5
71.01358	3.7
71.04985	7.8
73.02919	3.5
79.05490	65.5
81.03413	57.2
81.07055	95.1
83.04987	12.6
83.08613	15.5
85.02905	20.7
85.06573	2.2
88.07658	2.8
91.05480	59.6
93.07044	70.4
94.47957	2.3
95.04970	33.9
95.08604	60.1
95.09210	3.4
97.02906	26.9
97.06544	5.3
97.10166	5.9
99.04465	8.5
99.08119	5.0
103.03926	3.5
105.04546	3.2
105.07030	43.9
107.04965	8.7
107.08590	39.4
107.09270	4.0
108.04454	3.9
109.02886	15.8
109.06520	23.7
109.10155	29.1
111.04459	9.3
111.08090	2.1
111.11732	3.0
113.06055	2.7
115.03928	3.1
115.56553	2.3
117.07018	27.9
119.04929	6.2
119.08571	37.3
121.06501	5.4
121.10132	32.1
123.04420	4.5
123.08050	7.5
123.11694	11.5
125.09674	2.8
127.03939	11.3
128.06215	2.7
129.05478	3.9
129.07001	15.0
131.04921	2.9
131.08562	31.5
133.06482	2.9
133.10133	27.9
135.08023	6.3
135.11690	21.3
137.05981	25.0
137.09622	4.2
137.13318	2.3
141.07019	6.1
142.07855	2.8
143.08563	13.7
145.06497	4.9
145.10121	29.2
147.04437	6.3
147.08066	6.1
147.11646	16.9
149.09608	5.3
149.13249	13.8
151.07513	7.5
151.11203	2.5
153.07037	3.6
155.08580	8.2
157.10167	15.6
159.08086	4.3
159.11697	20.7
161.09630	5.6
161.13246	9.3
163.11194	5.6
163.14819	4.5
165.05472	22.4
167.08575	3.2
169.10103	6.4
171.08008	3.4
171.11623	11.5
172.12042	2.2
173.13235	13.8
175.11124	4.6
175.14861	7.6
177.12904	2.9
181.10081	3.6
183.06566	12.3
183.08000	2.6
183.11717	6.7
185.09734	2.3
185.13254	9.0
187.11189	3.7
187.14812	7.0
189.12874	2.2
195.11685	4.9
197.09665	2.8
197.13353	4.0
199.14813	6.3
201.12727	5.1
201.16393	2.6
211.14931	3.2
213.12764	3.9
235.13339	5.5
239.14200	3.4
243.21097	5.5
249.14975	4.2
249.18506	2.3
256.26520	2.4
259.20618	5.9
261.22079	15.5
273.22122	6.1
275.20126	4.6
277.14273	5.4
277.21713	3.7
285.22153	3.8
289.21664	3.9
291.23212	8.1
295.15430	3.8
297.22070	3.1
301.21533	7.0
303.23267	11.6
315.23169	5.7
317.17313	2.7
319.22821	3.3
327.23248	6.9
341.24689	7.6
345.24289	3.9
351.23157	13.1
359.25632	2.7
369.24231	31.9
387.25201	34.2
394.74631	2.2
405.26318	24.2
406.26810	2.7
411.10638	3.0
411.54303	2.5
421.12866	4.5
422.13666	7.8
423.14850	4.8
423.27261	4.9
435.14377	5.4
436.15326	8.7
437.16251	13.1
441.15384	4.0
449.16104	4.3
450.17062	3.7
451.18127	5.3
464.14444	3.8
465.15012	4.8
466.16916	2.5
478.16617	3.9
479.17419	4.7
480.17810	7.1
493.18530	7.1
494.15179	3.1
495.16553	7.1
507.16144	2.8
508.17239	9.1
509.18256	6.8
512.16797	4.3
521.18097	15.9
522.15686	4.4
553.20752	3.2
581.20233	71.6
599.21191	16.3
640.42828	6.6
641.22095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60402	1.0
56.58223	1.0
67.05494	2.0
70.06575	1.9
71.44444	1.4
75.52071	1.0
77.25867	1.0
79.05482	3.2
81.07043	2.8
85.02888	1.4
91.05464	3.2
93.07031	3.3
95.08605	1.6
97.02889	2.1
98.09597	1.0
127.03855	1.6
147.04480	1.2
147.11635	1.3
162.02174	2.3
163.03867	2.5
177.05637	1.1
184.87425	1.2
224.52325	1.1
225.10960	4.4
261.12589	2.8
262.10947	1.1
281.17447	9.8
282.17728	5.3
393.22375	3.7
529.09180	2.3
597.27374	1.4
641.21680	100.0
642.22235	5.6
653.74426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82988	1.0
55.01872	1.7
55.05510	1.7
67.05487	4.2
69.07063	2.7
69.48668	2.6
69.49030	4.6
79.05493	3.2
81.07055	4.0
86.09702	3.0
91.05477	3.1
91.23855	1.3
93.07036	3.6
95.04961	1.4
95.08597	2.3
104.10743	7.3
105.07034	3.7
107.08598	2.8
112.06411	1.1
114.78216	1.3
119.08590	1.6
149.09674	1.8
167.08524	1.3
180.06558	2.1
183.09172	1.8
184.09932	4.9
195.09146	3.3
196.09901	2.7
197.10689	3.4
198.11444	1.5
199.12358	2.8
207.09253	1.4
209.07133	1.7
209.10777	2.2
210.07712	2.7
211.08690	4.8
211.12149	1.5
212.09425	4.7
213.13866	2.0
214.12283	3.5
221.07115	1.5
222.07872	3.9
223.08673	6.1
225.10168	7.0
226.10910	10.7
227.11771	73.8
228.08965	3.6
228.12486	11.3
235.08730	1.9
237.06572	4.0
237.10254	9.9
238.07300	4.8
238.10954	3.0
239.07974	2.4
239.11798	3.1
241.09694	12.7
241.13286	8.3
242.14035	3.3
243.14922	25.8
249.10266	1.6
251.08156	12.5
252.09004	2.5
253.05922	3.1
253.09703	6.4
264.08832	1.4
265.06168	2.3
265.09717	14.4
266.07025	6.7
266.10284	6.7
267.07758	11.7
267.10971	9.4
269.05542	1.7
269.09567	2.2
269.12827	37.1
271.10718	6.0
275.19955	2.8
277.09775	2.3
279.07678	9.7
280.08411	1.7
281.09109	2.0
284.11533	7.7
285.12323	1.6
286.99091	2.2
293.05920	1.9
293.09152	13.3
294.06357	5.0
294.09976	24.2
295.10782	8.1
297.08661	3.7
305.09320	1.4
307.07153	20.2
311.10394	6.0
321.08649	6.2
323.10211	7.1
324.07462	2.7
325.08276	1.9
326.08957	1.8
339.09744	100.0
340.10086	4.7
349.08167	5.0
367.09250	94.2
368.09509	5.6
385.10257	52.4
399.11743	5.4
421.19934	1.9
422.20679	2.5
465.19894	2.0
504.21097	3.8
538.19257	4.1
581.24292	3.7
609.23291	33.5
610.23572	3.4
623.25189	1.7
623.42908	2.3
641.27032	21.6
641.43671	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.7
69.18851	0.9
69.19251	2.0
70.06549	0.5
74.26022	0.4
79.05492	0.5
81.07068	0.9
84.25825	0.4
91.05470	0.6
93.07063	0.7
95.08595	0.4
98.23499	0.9
102.54224	0.4
105.07047	0.6
107.38345	0.4
119.08591	0.6
120.08131	0.4
133.10114	0.5
209.75162	0.4
221.68425	0.4
239.11823	0.5
255.11165	0.5
376.16727	0.5
377.17682	1.3
386.18463	0.9
389.17847	0.6
390.18729	0.7
391.19217	1.5
392.20074	1.1
393.20993	0.8
393.73709	0.4
404.16010	0.8
405.16461	2.8
405.21597	1.0
406.17450	1.0
406.22296	0.7
407.22565	3.1
407.46649	0.5
418.17957	1.4
419.18460	4.8
420.19223	2.3
421.20007	2.0
431.18350	0.5
433.20428	9.3
434.21207	6.2
435.21829	5.5
436.22452	0.7
437.20206	0.5
447.17953	1.6
447.22769	1.1
448.18665	0.6
449.19760	1.4
461.19406	0.9
462.20270	3.1
463.21396	2.4
465.19254	1.6
475.21567	0.9
477.19214	0.8
479.20123	2.2
490.19717	0.8
491.20926	1.5
492.20892	0.6
493.22440	1.4
503.20874	0.5
505.22339	0.7
506.23065	1.5
507.24155	7.8
534.22357	0.7
535.23486	9.8
536.23822	0.7
537.20892	0.4
538.22028	0.5
551.23206	1.3
563.22864	7.0
564.22974	0.5
565.20959	0.9
566.25128	2.5
567.26099	2.0
581.23804	3.7
595.25372	3.9
623.24963	9.9
624.24835	0.6
641.26019	100.0
642.26331	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	641.2608
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
67.05508	2.0
69.98550	4.5
74.26662	1.4
79.05492	1.8
81.07053	1.8
93.07017	1.5
95.08601	1.5
98.22704	2.0
105.07018	1.6
107.57903	1.5
120.08012	1.5
133.10231	1.8
154.39726	1.7
164.66286	1.4
209.10724	4.5
211.12245	3.3
221.10782	3.3
222.11548	2.5
223.12259	10.0
224.13092	2.2
225.13858	3.6
227.11897	2.1
234.11456	1.5
235.12358	5.5
236.13188	3.9
237.13882	7.9
238.14711	9.5
239.15410	4.2
247.12263	2.5
249.10338	2.5
249.13878	4.6
250.14700	2.4
251.15378	8.7
252.16103	1.8
253.09714	1.8
261.13812	3.0
262.14728	2.4
263.11880	1.8
264.12607	4.2
265.09778	1.8
265.13293	3.0
277.13376	3.4
278.14154	2.1
283.14520	3.2
313.15552	2.1
314.16519	3.5
324.14932	1.8
326.12854	2.2
326.16483	2.3
328.18253	4.0
330.19809	1.9
336.14865	1.6
338.16690	4.8
339.17429	1.8
340.18097	2.2
341.15424	2.0
342.16083	2.7
344.05142	1.7
344.13745	2.0
352.17923	3.5
353.18951	5.2
356.17587	3.8
372.17053	2.3
373.17709	1.8
386.18533	4.6
386.22791	3.7
388.20129	1.8
389.21033	1.9
396.17020	8.1
400.20544	2.6
404.23117	2.6
405.17010	2.4
412.20197	11.0
414.18158	5.3
419.18335	3.2
430.21292	36.1
445.20758	1.8
446.17950	2.2
447.18332	3.7
448.18665	2.0
463.21417	3.6
464.22815	2.0
475.21445	1.8
476.18448	2.9
477.23160	2.3
489.19241	4.7
490.19839	2.1
491.20828	9.3
492.23917	1.6
493.22504	2.0
495.24371	2.4
503.20987	3.5
504.21790	3.4
505.22119	5.9
506.22525	2.9
519.23712	2.7
521.22327	3.5
531.20660	2.7
537.25482	13.9
547.23206	4.7
548.20825	3.3
549.21527	4.5
550.21924	6.3
551.26392	3.9
553.27966	2.0
563.22388	2.8
565.24481	41.5
566.24121	2.5
577.24756	2.6
579.25952	9.2
580.22864	11.3
581.23718	6.0
591.22101	8.5
595.25867	7.6
597.27094	50.5
598.26849	4.8
609.23083	6.9
623.24982	69.5
624.25000	6.3
641.25934	100.0
642.26324	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05509	0.3
59.15488	0.3
63.14772	0.3
67.05502	0.5
79.05513	0.7
81.07064	0.5
82.02980	0.3
91.05486	1.0
93.07066	0.6
94.06565	0.3
95.08595	0.3
105.07031	0.6
107.08622	0.4
111.54298	0.3
114.29604	0.3
119.08621	0.4
125.45551	0.3
129.05420	0.3
131.08626	0.3
146.53557	0.3
211.12561	0.4
223.08743	0.3
229.43564	0.5
229.67145	0.3
275.20230	0.4
315.13568	0.4
363.16251	0.4
377.17615	0.8
378.18518	0.4
379.19293	0.5
390.18140	0.6
391.19318	1.1
392.20123	0.6
393.20871	2.5
395.22464	0.3
401.67639	0.3
405.16467	2.4
405.21429	0.9
406.17123	1.5
407.18445	1.0
407.22748	4.6
408.23251	0.7
419.18213	2.7
420.19211	2.5
421.20264	5.2
422.20688	0.7
423.21799	1.1
432.19464	0.6
433.20288	5.0
434.21259	3.8
435.16785	0.4
435.21921	6.8
436.22543	1.6
447.21829	1.3
448.23230	0.6
449.19516	8.0
450.20154	1.1
451.21625	0.4
461.24329	0.6
462.20282	0.8
463.21045	3.5
464.22180	2.4
465.18555	0.6
467.24313	0.6
476.22623	0.4
477.23007	1.0
479.20465	0.9
479.25375	0.4
480.21741	0.5
481.21945	2.3
489.23105	0.4
492.22147	0.4
493.21548	2.1
494.23007	3.1
495.23767	3.1
504.15045	0.3
507.24484	1.4
509.25305	0.4
521.25684	10.0
522.25739	0.6
523.27386	0.8
526.25641	0.5
535.23981	0.6
539.23120	1.0
549.24872	0.9
553.25067	0.6
563.26581	0.7
580.26337	0.3
581.27643	17.9
582.28137	1.7
609.27020	0.5
623.27716	0.3
626.26752	0.4
641.29663	100.0
642.29724	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	641.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12803	0.4
55.05511	0.9
57.03421	0.6
64.52110	0.4
67.05508	0.9
69.07067	0.5
79.05495	1.9
81.07068	1.4
82.25999	0.4
89.21106	0.5
91.05489	1.2
93.07056	1.1
95.04967	1.2
95.08627	1.1
97.06516	0.5
98.23424	1.4
105.07047	0.9
107.08606	0.9
109.06525	0.9
113.06020	1.3
119.08605	1.0
120.08172	0.4
129.05659	0.4
131.08560	0.7
135.08087	0.5
145.10155	0.6
157.10161	0.6
184.09966	0.5
185.13313	0.5
204.06602	0.6
211.08713	0.5
211.12395	0.6
223.12405	1.3
224.13327	0.7
225.10187	0.6
227.11871	0.7
237.10258	0.7
237.13875	1.1
238.14729	0.9
247.12572	0.5
249.10353	0.7
251.15553	0.9
263.11639	0.8
264.12683	0.6
265.13446	0.6
269.12811	0.7
275.20187	0.6
300.15091	0.5
325.15460	0.7
326.12567	0.5
326.16519	0.5
327.13702	0.6
329.15207	0.5
329.18787	0.7
330.16019	0.6
338.16769	0.5
339.09729	1.2
342.16025	0.6
352.18161	0.5
353.18582	0.5
358.19037	0.6
367.09415	0.7
385.10382	1.0
386.18405	0.8
387.19360	0.5
391.19513	0.7
396.17157	1.7
401.17184	0.6
403.15555	0.6
404.15759	0.7
405.16757	0.7
405.21265	0.6
406.21558	1.2
412.20386	1.0
414.18359	1.4
415.19119	0.7
418.18076	1.9
419.18204	2.3
420.19077	0.8
421.24448	0.6
423.21732	0.5
430.21347	6.4
432.19873	0.7
433.20651	4.2
434.21011	1.8
435.22162	1.1
436.18750	0.5
445.20276	0.6
445.29361	0.8
446.17316	0.8
447.18079	1.9
447.22772	1.2
448.23303	0.9
449.23712	1.3
450.20547	0.5
451.21780	0.6
452.22226	0.5
459.17902	0.6
460.23102	0.6
461.19547	9.5
462.20322	4.0
463.21576	1.3
465.19321	1.5
467.24420	1.7
475.21497	2.1
476.22021	2.0
477.23248	2.6
478.22452	0.7
479.20493	1.1
480.21558	1.3
489.22522	0.8
490.19550	0.6
491.20895	1.3
493.22430	1.7
494.22803	3.6
495.23993	2.0
505.22330	0.8
507.24008	1.4
520.25256	1.0
521.22357	2.0
523.23273	0.6
533.22314	0.8
535.26788	0.9
537.24628	1.3
548.23993	2.6
549.24756	1.6
553.27979	1.7
563.26733	4.3
564.26746	1.0
565.24921	3.2
577.24628	0.6
579.25342	0.7
580.23627	0.9
581.27582	10.7
591.22699	1.3
593.23694	0.6
595.26263	0.9
596.26862	0.5
597.26935	1.4
608.26733	1.6
609.23676	4.1
623.25116	4.7
623.42657	0.9
624.26373	0.7
626.26959	0.7
641.29626	100.0
642.30054	7.0
653.34369	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05509	5.0
57.03439	2.2
65.03917	0.8
67.05505	8.0
69.03419	0.7
69.07065	3.8
71.04998	0.9
79.05487	7.0
81.03431	0.8
81.07056	9.0
83.04966	0.8
83.08615	1.8
85.06529	0.9
90.26672	0.6
91.05471	7.7
93.07043	7.7
95.04435	0.6
95.04988	2.4
95.08604	5.5
95.09069	0.6
97.02782	0.6
97.06538	2.3
97.10181	1.3
98.22703	1.3
103.05509	0.6
105.07034	6.4
107.04964	1.7
107.08595	4.2
108.84093	0.6
109.06535	2.8
109.10176	2.1
111.08063	0.6
115.05335	0.6
117.07044	3.4
119.08581	4.5
120.04409	0.6
121.10126	2.1
122.09693	0.9
125.09645	2.1
128.06232	0.8
129.07039	1.8
131.07188	0.6
131.08571	3.8
133.10121	3.7
135.08037	1.0
135.11732	2.0
136.07568	0.9
141.06958	0.8
143.08574	2.6
145.06540	0.8
145.10121	3.4
147.08058	0.8
147.11691	2.8
149.09621	2.1
149.13290	1.1
151.11195	0.7
155.08601	1.5
157.08957	0.8
157.10139	2.3
159.11685	2.1
161.13266	0.9
163.11320	0.9
168.08057	0.8
169.10141	1.6
171.11725	1.7
173.13254	1.5
175.11244	0.9
181.10252	1.0
183.11752	1.3
184.07668	0.7
184.09911	0.7
185.10750	1.3
185.13318	1.0
188.03435	0.8
189.11226	0.7
195.09184	0.7
196.09827	0.9
197.10783	2.1
197.13303	1.0
199.12369	0.8
209.10635	1.6
210.11438	1.4
211.08885	0.9
211.12341	2.0
211.14835	0.6
212.13086	0.7
221.10872	0.8
221.13283	0.9
223.12376	2.1
224.13138	2.4
225.10432	1.3
225.13884	3.6
227.11836	1.4
230.04231	0.6
234.11464	0.7
235.12360	1.3
237.13890	2.7
238.14639	1.6
239.11871	2.1
239.15532	3.1
240.16191	1.2
247.12430	1.3
249.13821	0.8
250.14885	0.7
251.11714	1.1
251.15514	1.5
252.16396	0.8
253.17058	0.7
257.19022	0.9
259.20670	0.8
261.14044	0.7
263.15634	0.8
264.15198	1.0
265.13501	0.7
265.17178	0.7
267.14966	1.1
269.12976	0.9
273.18390	0.7
274.13599	0.7
275.15158	0.7
275.20059	4.1
276.15076	1.1
277.15826	1.2
279.11243	0.8
281.12744	1.3
286.13327	0.9
288.15210	1.2
290.16434	1.6
291.19617	1.8
292.18182	1.7
300.15265	0.9
302.16885	0.6
304.14621	1.6
304.18253	2.9
305.15549	1.1
305.18909	1.9
307.10727	1.0
312.14963	1.1
313.15582	2.4
314.16528	1.2
315.17648	0.9
316.14792	0.8
318.16180	2.0
319.16849	1.9
321.12421	1.0
330.16025	1.0
331.17081	1.4
332.17722	1.9
333.18372	1.3
333.24271	1.0
334.19110	1.1
341.15445	1.0
342.15921	0.7
343.17761	1.2
344.17679	1.8
346.19110	1.5
349.23792	2.0
353.15063	0.9
354.12491	1.5
356.13730	0.7
365.23160	0.9
369.14706	0.9
373.19141	1.3
374.18552	1.5
375.19357	0.9
377.17807	1.0
378.18524	0.8
379.19339	1.0
384.17065	3.3
391.19388	1.8
392.19943	4.2
393.20575	2.5
401.17685	1.1
402.18134	0.8
403.19565	1.2
404.20212	1.3
405.21262	3.2
406.21466	5.6
407.22083	8.3
408.22916	1.7
412.16577	3.4
415.19229	2.3
416.20181	1.1
417.21152	2.0
418.21854	1.5
419.22491	3.8
420.23297	3.8
421.23825	8.9
422.24387	10.7
426.18323	1.6
427.19098	1.1
429.21054	1.7
430.21689	1.4
431.22479	1.7
433.24054	2.7
434.18335	1.0
434.24472	8.3
435.22073	2.1
437.20084	1.0
443.22372	1.1
444.18802	5.7
445.24261	1.4
448.19485	1.9
449.23520	1.3
451.21030	0.9
458.20529	0.8
459.21817	2.6
460.22870	1.5
461.19131	1.2
461.24063	1.1
462.19846	3.2
463.21118	11.4
464.21387	0.9
473.23483	1.6
475.21411	4.7
476.20877	2.4
477.23071	6.2
478.23367	0.8
485.23245	1.0
487.25079	2.2
489.23322	1.3
490.23291	1.2
491.24878	3.8
494.27069	3.5
495.27423	2.8
503.20654	0.6
503.24554	0.7
505.26270	1.3
506.26871	1.1
508.22403	3.0
515.24658	1.0
517.22345	1.5
518.23584	1.0
520.20990	1.5
521.22369	1.1
522.26678	1.1
523.27094	1.9
531.24188	1.1
532.24072	1.9
533.21942	1.4
534.22583	1.3
535.23706	1.1
545.25482	8.5
546.25842	0.8
547.19604	1.2
547.27142	10.3
549.24945	19.1
550.25519	6.6
561.21307	1.6
563.26709	7.7
564.26971	2.0
565.27582	1.7
576.23236	1.1
577.24854	1.0
579.30133	3.3
581.27173	3.1
591.25952	55.5
592.26465	4.2
595.29321	1.2
597.26978	1.0
599.27631	0.7
605.27686	8.2
608.26306	1.0
609.27008	19.1
610.27472	1.7
623.28577	100.0
623.42883	4.5
624.28931	8.0
626.27545	0.9
641.28967	14.9
641.43872	4.9
642.30328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44598	0.4
55.05507	1.7
57.03452	0.9
67.05501	3.9
69.07065	1.2
69.83990	1.5
71.04972	0.6
75.04443	0.5
79.05508	2.5
81.07059	3.3
85.03851	0.4
91.05486	2.5
93.07044	2.4
95.04963	1.0
95.08618	1.6
97.06525	0.8
99.08087	1.0
105.07026	2.2
107.08624	1.0
109.06509	0.7
109.10175	1.2
115.07575	0.5
117.07050	1.2
119.08609	1.4
121.10142	0.9
129.07016	0.9
131.08586	1.7
133.10130	0.9
135.08008	0.5
142.07719	0.5
143.08621	0.9
145.06409	0.4
145.10147	1.5
147.11708	0.9
149.09564	0.5
155.08603	0.6
157.10162	0.9
159.11737	0.9
163.11092	0.4
167.08571	0.4
169.10094	0.9
170.55087	0.4
171.11742	0.7
183.11755	0.5
185.13277	0.7
195.11765	0.4
197.13373	0.8
199.58203	0.4
215.93698	0.5
243.01166	0.5
245.27998	0.4
252.46158	0.4
275.20227	0.7
286.99026	1.1
303.81934	0.5
377.17523	0.7
379.19138	0.7
390.18491	0.5
391.19299	1.2
392.19949	0.8
393.20862	1.3
405.16718	2.5
405.21622	0.9
406.17468	0.9
407.22641	4.1
408.23166	0.9
419.18503	3.0
420.19467	1.4
421.20212	2.8
422.21082	0.5
423.22058	0.9
433.20547	5.4
434.21097	3.8
435.21756	7.1
435.26535	0.6
436.22675	1.0
446.21509	0.5
447.17432	1.1
447.22232	1.9
448.18765	1.3
449.19681	5.2
461.19388	0.7
462.20291	3.5
463.21164	3.8
464.22269	1.1
476.22006	1.0
477.23163	1.0
478.23825	0.6
479.21014	1.5
480.21027	0.5
493.22482	1.5
494.23083	1.6
495.23740	1.9
507.24323	7.3
508.24698	1.9
509.25766	1.0
521.26062	3.2
522.26080	0.5
531.38513	0.8
533.25470	0.5
535.23401	11.1
536.23724	0.8
549.25311	2.4
550.26239	1.0
551.36993	0.4
553.24896	1.4
563.24506	0.6
567.26093	3.4
567.39600	0.6
581.27679	15.5
582.27942	1.0
595.25543	10.4
596.26001	0.9
605.41895	0.7
609.26923	1.4
613.29620	0.6
623.25317	0.6
623.43054	2.4
641.29663	100.0
641.43878	2.9
642.30023	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	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28338	0.2
54.58082	0.3
55.01883	0.3
55.05511	0.9
67.05499	0.9
69.07073	0.5
69.20792	1.9
75.04470	0.5
75.31378	0.4
79.05493	1.1
81.07069	0.9
91.05491	0.3
93.07048	0.4
95.04952	0.4
95.08618	0.8
97.10197	0.3
99.10567	0.3
105.07026	0.5
107.08606	0.3
108.51834	0.3
109.10174	0.3
119.08622	0.5
121.10155	0.4
124.93759	0.5
125.09692	0.4
129.07024	0.3
133.10158	0.7
145.10194	0.3
147.11749	0.3
169.06693	0.3
275.20001	0.6
286.98987	4.0
349.23849	0.7
377.17554	0.5
381.67822	0.4
391.19299	1.4
392.19992	0.6
393.20746	0.9
405.16602	2.2
405.21542	0.5
406.17285	0.5
406.21899	0.7
407.22592	3.3
408.23386	0.5
419.18277	2.8
420.18768	1.5
421.20374	1.2
422.21259	0.3
423.21655	0.4
432.19354	0.3
433.15637	0.7
433.20746	4.2
434.21268	4.8
435.21750	6.5
436.22598	0.9
447.18060	1.7
447.22473	1.1
448.18918	1.3
448.23642	0.5
449.19211	2.4
451.21069	0.3
461.18787	1.4
462.20386	4.9
463.21198	4.1
464.21631	0.4
475.21536	1.0
476.22025	0.8
477.22986	1.3
478.23706	0.6
479.20975	1.6
489.23193	0.6
492.21844	0.3
493.22095	0.9
494.23450	0.6
495.24170	1.1
507.24301	11.0
508.24725	2.3
509.25116	1.4
521.21985	0.9
533.25415	0.4
535.23364	15.0
536.24072	0.9
549.25049	3.2
550.25714	0.9
553.24310	1.5
563.23334	0.5
566.24347	0.4
567.26038	3.7
581.27673	9.0
582.27612	0.6
593.27222	0.6
595.25482	14.4
596.26385	0.8
609.27307	1.8
610.27429	0.3
611.27515	0.4
623.42896	0.5
641.29651	100.0
642.29919	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	641.2968
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
50.78640	0.7
50.98054	0.5
55.01868	0.9
55.05516	1.4
55.77975	0.6
57.03438	1.1
67.05500	4.0
69.07045	1.1
79.05489	3.7
81.07059	3.9
81.38274	0.5
85.06497	0.5
89.53274	0.5
91.05459	3.7
92.40889	0.5
93.07034	3.0
95.04964	1.6
95.08604	1.8
97.06557	0.6
97.10178	0.6
105.07048	2.5
107.04954	0.9
107.08604	1.5
109.06453	0.8
109.10183	1.3
109.46202	0.6
113.06009	0.8
117.06985	1.1
119.08598	2.0
120.04476	0.6
121.10164	1.1
123.08091	0.7
129.07004	0.6
131.08580	1.9
133.10133	1.4
135.11714	0.9
143.08559	0.7
145.10156	0.9
147.11685	1.1
152.91309	0.5
157.10083	0.8
159.11694	0.6
171.11749	0.8
186.11580	0.6
197.10719	0.9
210.11501	0.7
211.12300	1.3
221.10805	0.7
223.12314	1.0
224.13152	1.3
225.13847	1.6
227.11734	1.2
235.12506	0.7
237.10304	0.7
237.13943	0.8
238.14774	0.9
239.11807	1.2
239.15515	1.7
249.13934	0.6
261.10510	0.6
261.14160	0.9
271.12427	0.5
275.20090	2.0
281.13098	0.6
300.14804	1.0
301.16190	0.6
304.18121	0.7
305.18848	0.6
307.10764	0.7
311.14343	0.7
313.15839	1.3
314.16837	0.7
316.14594	0.7
318.16019	1.1
319.16956	1.6
328.18304	0.7
330.16104	1.1
332.17630	0.8
334.19174	1.6
344.17719	0.8
346.19232	0.8
348.20438	0.6
349.23798	1.1
354.12384	0.7
355.13135	0.9
356.17551	0.9
369.14581	0.7
373.18973	0.6
374.19009	1.0
384.17117	1.7
389.17322	1.1
391.19073	0.8
392.19891	2.1
393.20615	0.8
400.16589	0.7
401.17578	1.4
402.18295	1.3
403.19257	2.2
404.19919	2.0
405.20831	2.2
406.21671	2.8
407.22247	5.0
412.16693	1.8
415.19180	2.2
416.20230	2.7
417.21002	4.5
418.21460	2.9
419.22321	1.7
420.23096	2.2
421.23904	4.7
422.24374	6.4
427.19089	1.1
428.20578	0.7
429.21109	2.8
430.22134	1.3
431.22791	3.7
432.23438	1.3
433.24078	6.1
434.24503	6.4
435.21826	1.7
443.22424	1.1
444.19373	2.5
445.24738	4.5
446.17386	0.8
446.24881	1.4
447.25592	1.8
448.18463	1.1
449.23541	1.0
458.25012	1.0
459.20950	3.5
460.22577	2.6
461.20032	1.8
462.20230	2.9
463.21503	3.6
472.22696	1.6
473.23669	3.9
474.17126	1.1
474.24045	2.8
475.21152	4.2
476.21570	1.3
477.22879	15.7
478.23419	1.0
485.23495	1.1
486.23895	0.9
487.24988	6.0
489.23047	1.4
490.23663	1.1
491.24411	5.4
492.24374	0.8
503.24527	1.0
504.25052	0.7
505.26111	1.8
506.26569	3.6
515.24341	2.1
517.21783	0.8
519.27344	2.3
521.21637	1.0
523.26874	1.1
532.24683	1.2
535.22467	2.9
545.25323	9.2
546.26489	1.6
547.27026	14.2
548.27441	0.9
549.25031	11.1
550.25690	15.1
551.25879	1.4
563.26465	3.5
564.27002	3.4
565.27917	0.8
577.28546	1.2
579.29468	7.7
580.30066	0.8
581.23962	1.3
591.25952	13.8
592.26141	1.8
605.27551	19.5
606.27838	1.4
609.27234	10.3
610.27405	0.9
623.28589	100.0
624.28967	6.4
641.29083	6.3
641.43378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17115	0.9
55.01870	3.4
55.05511	10.4
57.03426	3.7
57.07071	1.0
67.05501	17.1
69.03422	1.5
69.07060	9.0
69.58958	4.0
71.04991	2.6
71.88439	0.8
79.05488	17.6
81.03414	1.3
81.07056	17.3
83.04984	1.9
83.08621	4.6
85.06534	1.4
91.05473	14.5
93.07040	15.0
95.04943	4.7
95.08608	10.2
96.61301	0.8
97.06535	4.1
97.10165	4.4
98.22832	1.7
103.05518	0.9
105.07031	13.4
107.04949	2.1
107.08592	9.3
109.06496	3.0
109.10162	5.9
111.08058	2.4
111.30883	0.8
115.05489	1.1
117.07021	5.3
119.08585	11.5
119.74550	0.8
121.06506	1.1
121.10126	5.6
123.08031	1.7
123.11687	2.0
125.09624	3.3
128.06210	1.7
129.06989	5.6
131.08542	9.0
133.10120	8.0
135.08032	2.0
135.11714	2.2
137.09654	1.4
141.06985	2.0
141.09175	0.9
143.08553	4.3
145.10086	6.1
147.08102	1.1
147.11674	5.9
149.09602	2.6
149.13202	2.1
155.08583	2.4
157.10124	4.1
159.08031	1.2
159.11693	4.9
161.09628	1.8
161.13286	5.0
163.11189	1.5
169.10141	2.1
171.11688	3.9
173.13284	3.0
175.14755	2.0
181.10092	1.9
183.11711	3.1
185.13260	2.5
187.14857	1.3
189.11235	2.7
193.10147	1.0
195.11763	1.6
197.13281	2.0
198.95760	0.8
199.14842	2.6
205.12343	0.9
207.04227	1.0
207.35468	0.9
209.13304	1.5
213.16380	1.8
215.14415	1.0
221.13222	1.1
223.15048	1.4
227.12766	3.5
231.21149	1.2
237.16188	1.1
239.17970	0.9
241.19519	3.6
257.19086	1.7
259.20566	5.9
273.18585	2.0
275.20038	5.9
291.19482	8.1
333.24219	4.7
344.20868	0.8
349.23834	2.1
365.23172	3.8
374.74051	0.9
390.18655	1.0
391.19128	1.3
401.17850	1.3
403.18875	2.9
404.19904	1.4
405.20844	1.7
407.22272	2.0
415.19003	3.4
416.19809	2.7
417.20767	2.8
418.21866	2.1
421.23779	2.6
422.24649	1.1
429.20667	3.1
430.21786	1.5
431.22406	3.2
432.23151	1.1
433.16489	1.0
433.24057	5.0
434.24536	1.6
435.21310	1.0
443.22333	1.2
444.23526	1.5
445.23706	3.1
446.24597	1.8
447.25916	1.8
449.23291	1.4
459.20963	4.1
460.22455	2.5
461.19504	2.6
462.20309	4.9
463.21060	4.8
469.85123	0.9
473.22986	3.2
474.23999	2.9
475.21362	6.0
476.21786	2.5
477.22882	15.5
485.23785	1.2
486.23865	1.2
487.24820	5.6
489.22733	1.9
490.23322	1.5
491.24600	5.0
503.24042	1.6
505.25824	2.2
506.26834	1.8
511.34027	1.2
515.24731	2.0
517.22107	1.2
519.27319	2.0
529.34949	1.2
532.24603	1.3
535.23694	2.7
543.36865	1.0
545.25549	7.4
547.27057	17.0
548.27069	1.1
549.24982	13.8
549.38849	1.7
550.25647	19.8
551.26501	1.2
563.26373	5.2
564.26971	3.1
577.27759	2.9
579.29620	9.5
591.17023	1.0
591.25952	18.1
592.26874	1.0
605.27490	22.5
605.42145	2.6
606.26813	1.7
609.26068	1.9
623.28558	100.0
623.42847	12.0
624.29016	7.6
641.27087	5.2
641.44067	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	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01868	7.3
55.05508	18.8
57.03432	30.8
65.03928	5.5
67.05499	64.8
69.07056	15.1
69.26749	12.2
71.04967	5.3
79.05486	38.9
81.03423	5.5
81.07047	47.0
81.07498	2.4
83.04990	4.9
83.08621	7.5
85.06546	29.1
86.77365	2.1
90.35500	1.9
91.05473	45.9
93.07041	41.8
94.56273	1.7
95.04964	54.4
95.08600	37.4
97.06545	6.7
97.10194	2.1
105.07027	39.7
107.04958	12.0
107.08585	21.3
109.06506	31.8
109.09488	2.2
109.10150	8.6
111.08138	2.9
113.05995	100.0
115.05405	2.9
115.64349	2.2
117.07013	21.3
118.97141	2.1
119.08572	29.5
121.06481	6.1
121.10193	12.4
123.08056	9.0
123.11720	4.6
125.09613	4.9
128.06238	4.4
129.05553	2.2
129.06985	16.1
131.08557	27.1
133.06500	3.7
133.10127	18.1
135.08057	22.7
135.11679	12.7
137.09648	2.9
141.07027	4.4
141.09123	3.9
142.07748	2.2
143.08572	15.5
145.06503	3.4
145.10107	23.7
147.08014	5.3
147.11676	15.4
149.09618	6.7
149.13219	6.4
155.08575	8.1
157.10138	13.8
159.08098	3.0
159.11694	20.5
161.09657	4.7
161.13263	14.0
163.11221	3.7
167.08609	4.3
169.10071	9.3
171.11662	15.4
173.09637	2.3
173.13272	9.5
175.11130	2.4
175.14851	6.6
177.12714	5.5
181.10107	4.7
183.11716	6.2
185.13268	8.7
187.11179	3.2
187.14824	5.8
192.63947	1.9
195.11768	3.7
197.13268	5.2
199.14839	8.0
201.12856	2.3
201.16402	3.7
209.13208	4.1
211.14848	5.1
213.16385	3.4
215.17957	3.3
217.15871	6.2
221.13286	2.7
223.14890	4.0
231.21121	2.3
237.16452	3.4
241.19478	5.3
257.19016	3.3
259.20465	9.5
273.18518	13.0
275.20132	4.4
279.15933	8.4
289.17953	4.7
291.19525	32.2
315.23157	2.7
327.26880	3.1
333.24307	19.2
335.25595	3.1
347.22260	2.8
365.23239	7.6
511.37796	3.7
513.36517	4.3
531.38354	4.7
543.36798	2.2
549.39087	3.5
567.40070	4.0
605.41479	6.6
623.43018	51.6
624.42743	4.6
641.27588	4.5
641.43951	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05507	0.7
56.05027	0.6
57.03430	2.1
63.63634	0.6
69.03412	2.6
70.06579	0.6
70.23112	0.5
71.04984	10.0
75.04489	0.7
77.37522	0.6
78.27177	0.5
78.41680	0.6
81.03408	1.9
83.04942	0.6
84.04495	9.9
85.02901	12.8
85.04852	1.0
85.79051	0.5
87.00817	1.1
89.03915	2.0
96.08103	1.5
97.02886	4.2
98.23549	0.9
99.04437	0.9
101.07145	0.9
105.01815	0.9
109.02862	1.7
111.04417	0.8
117.03393	3.5
124.07591	1.1
127.03848	1.3
128.04231	0.6
128.06180	0.8
129.05460	4.0
130.04990	11.0
131.05313	1.5
135.04398	7.8
137.05946	0.6
142.08615	1.5
145.02817	7.9
145.04889	0.9
145.06407	0.7
147.06520	1.3
147.07600	6.5
148.06047	0.6
158.27603	0.7
163.03888	100.0
164.04202	2.3
169.16693	0.6
170.08113	5.5
171.08273	1.7
174.05508	2.2
175.65594	0.6
181.04932	1.6
187.10750	9.9
188.09140	2.8
188.11122	4.7
212.27916	0.6
245.08160	0.6
283.10657	1.7
290.06519	0.5
301.11862	3.1
307.08105	0.9
309.09769	0.9
318.14511	3.2
325.09180	16.4
358.81534	0.6
579.26697	0.8
642.25537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01866	0.2
55.05503	0.3
56.05058	0.1
57.03436	1.2
61.02924	0.2
62.56993	0.1
63.02375	0.2
63.13008	0.2
69.03416	1.1
71.04989	8.3
71.42000	0.2
73.02905	0.4
74.64429	0.2
75.04471	0.2
78.37632	0.2
79.05482	0.5
81.03404	0.7
83.04985	1.2
84.04504	2.9
85.02901	10.6
85.04812	0.3
86.03249	0.2
87.00818	0.2
87.04469	0.3
89.03911	3.0
91.05443	0.2
93.90077	0.2
95.04942	0.2
96.08127	0.6
97.02893	1.8
99.04453	0.7
101.02348	0.2
101.07152	0.2
102.05530	0.3
104.25253	0.2
105.01844	0.3
105.07054	0.2
107.04947	1.0
109.02876	0.3
111.04443	0.7
117.03382	4.0
121.02838	0.2
121.45907	0.2
124.07593	0.3
127.03906	0.7
128.06218	0.2
129.05469	2.6
130.05002	2.3
131.05296	0.4
133.06534	0.2
135.04413	9.0
136.04646	0.2
137.05991	0.5
145.02843	8.8
145.06531	0.3
146.03146	0.2
146.08076	0.7
147.06497	1.1
147.07657	1.7
148.07996	0.3
151.03886	0.7
157.06404	0.2
159.07950	0.2
161.05997	0.2
163.03896	100.0
164.04211	1.6
164.09247	1.0
165.05524	0.2
170.08115	1.4
171.08408	0.8
177.05505	0.3
177.59821	0.2
179.07001	0.3
181.04947	1.4
187.10771	3.4
188.03635	0.2
188.09149	0.4
188.11099	1.2
199.11212	0.3
203.07027	0.3
205.04985	0.2
213.05453	0.2
213.63239	0.2
227.10628	0.6
245.08061	0.2
245.11786	1.4
247.09731	0.2
255.08707	0.2
263.09073	0.3
273.07565	0.6
291.08743	0.3
307.08093	0.3
309.09625	1.2
325.09171	4.5
326.09531	0.2
482.96936	0.2
508.11609	0.2
598.24982	0.2
641.53668	0.2
642.24933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33739	0.8
53.03936	0.9
55.01868	3.5
55.05510	2.5
57.03430	11.8
59.05006	1.8
61.02923	6.1
69.03423	18.1
69.55519	3.8
70.06588	1.3
71.01350	3.2
71.04989	34.8
73.02493	1.2
73.02913	35.6
75.04469	5.1
79.05492	4.3
81.03405	4.2
83.04981	19.5
85.02899	100.0
86.03214	0.8
87.04469	4.3
91.03957	3.1
91.05482	1.8
91.70894	0.9
95.04972	2.4
97.02891	21.2
97.06575	0.8
99.04452	3.3
101.02390	1.1
101.05987	1.1
103.03938	3.1
107.04948	13.1
109.02872	2.6
111.04436	15.0
113.02367	1.5
113.06009	1.3
115.03926	14.5
119.04932	1.4
123.04427	3.6
127.03908	9.2
129.05470	29.2
129.10265	1.1
133.04970	5.5
135.04388	20.2
135.05341	1.6
137.05972	8.6
139.03889	3.7
145.04950	14.4
146.30379	0.9
147.06511	21.7
147.07645	1.5
149.05978	3.8
151.03885	2.0
151.07585	1.4
153.05457	47.1
157.04958	1.7
159.04497	1.0
161.06009	1.4
163.06023	4.1
163.07285	0.9
165.05473	3.0
165.07483	1.0
167.07036	2.0
167.90965	0.8
169.04956	2.8
171.06496	2.4
177.05412	4.1
179.06996	3.2
183.06543	1.9
187.06007	1.0
187.07561	1.2
189.05403	1.2
195.06503	1.4
201.05508	1.1
203.07042	1.1
207.06563	1.2
213.07397	1.0
219.06461	1.6
225.07512	9.0
237.07559	2.1
243.08611	6.1
247.09726	2.2
255.08614	2.5
259.08017	1.3
261.09775	1.7
263.09052	1.3
265.10745	1.2
273.09729	1.5
279.08173	1.3
279.10883	6.5
281.01740	0.8
281.10159	1.7
297.09659	5.4
309.11789	3.1
315.10593	1.3
466.91156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50547	0.5
54.86399	0.6
55.01855	1.2
55.05494	1.7
57.03440	7.8
59.04986	1.1
61.02922	3.8
62.80938	0.6
68.53125	0.5
69.03424	10.5
71.01341	2.4
71.04993	19.7
73.02915	26.6
75.04470	2.1
81.03411	1.2
83.04980	10.6
85.02903	44.7
87.04459	2.2
91.05484	4.1
95.04958	0.8
97.02889	11.7
99.04445	1.4
99.72560	0.5
101.03403	0.6
101.15823	0.6
103.03926	1.1
108.64909	0.5
109.02860	1.0
111.04439	9.0
113.02386	1.1
113.06017	1.1
114.00050	0.6
115.03929	13.9
119.04913	1.3
121.06498	4.1
126.79957	0.6
127.03909	2.6
129.05475	17.8
133.04971	6.0
135.04375	0.7
137.05942	2.1
139.03909	3.4
139.07533	0.7
145.04930	1.6
147.06522	13.2
149.05992	3.8
151.03900	1.3
152.04672	9.9
153.05389	1.0
157.04948	1.0
161.06012	0.8
163.03798	0.6
165.05510	1.1
165.07547	1.1
167.07030	100.0
168.07375	2.0
169.04996	1.9
171.06546	1.4
173.06010	0.7
177.40123	0.6
179.07010	0.7
183.06537	2.3
184.83290	0.6
185.08089	27.7
187.05991	0.7
191.06975	0.9
195.06631	1.6
209.08086	2.2
225.07581	7.0
243.08656	6.6
245.08034	0.8
255.08609	1.0
259.07901	0.8
261.09656	2.5
266.24963	0.8
273.09772	1.2
279.10715	8.0
295.11691	0.8
299.11371	0.9
309.11816	2.0
313.12711	1.5
329.12503	1.3
341.86887	0.6
371.87384	0.6
636.34473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05511	3.4
57.03434	12.1
59.05007	1.9
61.02929	2.1
67.05495	1.1
69.03430	16.6
70.01527	1.9
70.01909	1.8
71.01354	2.5
71.04994	38.1
73.02915	4.4
73.11980	0.9
75.04477	6.5
79.05505	1.6
81.03424	3.8
83.04982	30.0
85.02903	100.0
86.03273	0.9
87.04484	2.7
87.62713	1.0
91.05488	3.2
95.04982	1.6
97.02881	7.7
97.06572	1.4
98.23485	1.0
99.04460	16.4
103.03960	3.4
107.04987	0.9
109.02881	1.9
109.06458	0.8
111.04446	16.1
111.05168	1.2
113.02367	8.7
113.02985	0.9
114.25914	0.8
115.03936	1.7
117.05473	1.5
119.05003	2.2
121.05074	0.9
121.06509	1.5
123.04453	2.7
127.03909	11.6
129.05472	33.7
131.03401	13.4
135.04459	2.0
137.05969	23.7
139.03940	1.5
145.04962	7.5
147.05367	1.1
147.06520	21.5
147.07642	1.7
149.06007	3.4
151.07578	4.9
153.05505	1.6
155.07051	2.9
157.04973	17.0
157.06288	0.8
161.06004	3.1
163.03888	1.1
163.06035	3.0
165.05464	8.5
167.07039	2.7
171.06590	1.8
175.06046	8.5
175.07556	2.8
179.07007	7.5
183.06525	1.6
189.05695	0.9
191.05544	1.2
191.07095	1.7
195.06546	1.9
197.07986	0.9
203.06963	4.0
207.06453	1.5
213.07542	5.8
217.08614	1.5
221.08069	8.9
237.07648	1.7
241.07069	4.7
245.08142	2.3
247.09659	10.4
255.08629	3.6
259.08127	14.6
263.09186	3.0
265.10681	6.7
273.09766	6.3
277.09116	8.9
281.10220	2.4
283.08429	1.1
283.11563	1.3
291.10764	1.3
301.12827	0.9
309.11823	5.6
311.11349	3.5
317.12354	2.1
319.10309	4.2
389.19110	1.2
399.75217	1.0
643.17603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05503	3.8
57.03439	12.2
59.05005	0.8
61.02929	2.2
64.28829	0.6
67.05511	1.0
67.07076	0.6
69.03426	15.5
70.06603	1.1
71.01352	3.2
71.04991	30.3
73.02915	5.5
74.27695	0.9
75.04482	6.3
79.05504	1.5
81.03414	4.2
81.07061	0.9
83.04981	27.1
85.02903	100.0
85.77037	0.9
86.03249	1.1
87.04464	1.9
91.05478	6.5
91.76672	0.7
93.07050	1.8
95.04970	5.4
97.02888	7.2
97.06525	2.0
98.23427	2.2
99.04458	5.3
101.02364	1.0
101.06013	1.2
103.03948	6.2
103.05511	0.8
105.07082	1.2
107.04957	1.7
107.60381	0.9
109.02883	2.1
109.06554	1.3
111.04445	21.8
113.02364	12.4
113.06010	1.2
115.03934	1.1
119.04955	5.5
121.02892	2.6
121.06519	2.9
123.04436	2.4
123.08042	0.8
125.02316	0.7
125.05988	2.1
127.03925	6.2
129.05479	26.7
131.03404	20.1
131.04901	1.0
131.69659	0.8
135.04453	1.9
136.05109	0.9
137.05995	2.6
139.03952	2.3
145.04979	6.5
147.02916	1.0
147.06522	21.7
149.05994	2.6
151.07538	45.9
152.07817	1.2
153.05478	2.7
157.04958	12.8
163.06027	2.8
163.07555	2.2
165.07790	1.0
165.09103	3.5
166.70552	0.7
169.04921	1.3
169.08607	11.6
171.06528	2.2
173.04526	0.9
175.06049	6.8
175.07471	1.4
177.05524	1.3
179.07036	8.4
181.08588	4.8
183.06587	0.9
185.04446	1.4
187.10793	1.7
189.09113	0.9
193.08618	6.5
195.06592	1.5
197.04420	1.3
199.06013	1.2
205.08594	0.7
213.07556	4.7
215.05551	1.6
217.08635	1.4
223.05890	1.1
225.07549	0.8
229.07274	0.7
235.09560	3.5
237.07625	1.1
241.07062	9.8
255.08699	1.7
259.08078	24.9
261.11237	6.8
273.09552	1.7
277.08865	10.6
279.12375	3.6
283.08124	2.2
295.11725	2.3
309.11780	3.6
312.12894	1.2
319.10324	2.4
325.12823	1.0
402.66354	0.9
435.94150	0.8
437.18689	0.7
621.19714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06570	1.9
53.03934	9.5
54.08097	1.7
55.01867	8.2
55.05505	31.0
57.03431	7.2
57.07079	6.3
65.03941	7.0
67.05497	91.0
69.03426	29.6
69.07063	33.8
71.01343	3.5
71.04982	9.3
71.08618	4.3
73.02908	2.9
79.05487	47.4
81.03411	62.5
81.07049	100.0
83.04954	11.1
83.08624	21.1
85.02895	20.6
85.06523	4.9
86.19692	2.3
91.05473	44.6
93.07037	45.9
95.04966	25.5
95.08600	73.4
96.08936	1.9
97.02885	30.0
97.06532	11.4
97.10164	12.1
98.22698	5.0
99.04456	6.4
99.08099	7.5
103.05482	2.9
105.07015	38.5
107.04964	7.4
107.08575	27.3
107.60087	1.9
109.02878	12.1
109.06509	17.9
109.10144	27.9
111.04444	8.6
111.08072	4.0
113.09644	2.6
115.03957	2.7
117.06974	13.8
119.04908	2.2
119.08563	26.4
121.06509	8.5
121.10123	24.1
123.04436	4.6
123.08047	3.8
123.11713	13.8
125.09615	4.6
127.03897	13.6
128.06149	2.5
129.05473	4.6
129.07001	9.2
131.04913	3.1
131.08542	25.2
133.06467	4.8
133.10124	20.3
135.08075	3.6
135.11673	15.6
137.05951	20.6
137.09639	4.0
137.13245	7.1
139.11134	3.3
141.06961	3.1
143.08588	12.3
145.04970	4.5
145.06412	2.1
145.10127	14.0
147.04407	6.4
147.08020	3.4
147.11684	16.8
149.09686	2.4
149.13240	13.3
151.07518	2.8
151.11234	3.9
151.14815	4.9
153.12720	3.0
155.08528	5.1
157.10144	6.7
159.08083	3.4
159.11720	8.2
161.09558	2.1
161.13278	13.7
163.11168	2.9
163.14845	6.9
165.05447	23.2
165.12799	4.3
169.10118	4.6
171.08008	3.3
171.11748	7.0
173.13271	7.6
175.14813	8.1
177.12762	3.4
179.14349	5.0
181.12251	2.4
183.06516	10.5
183.11703	3.4
185.09659	2.2
185.13260	3.3
187.14830	2.5
189.12708	2.4
189.16397	3.5
191.14316	2.6
193.15862	3.1
195.11699	3.1
197.13235	3.0
199.11125	2.1
199.14842	2.8
201.16328	2.6
203.14281	3.1
205.12279	2.4
205.15994	2.6
207.13771	3.1
209.15208	2.0
213.16425	4.6
215.14389	2.8
215.17978	2.9
217.15804	3.0
221.15446	4.4
233.15247	2.4
235.13254	3.5
241.15860	2.2
243.21031	2.6
245.22697	9.5
259.20551	2.7
261.22098	5.9
263.23706	17.1
273.18353	3.2
275.20013	5.4
275.23819	3.8
276.20407	3.6
277.14413	5.6
279.23108	4.6
291.19775	2.3
291.23123	5.2
293.24710	9.2
295.15378	2.9
299.23727	2.3
303.23178	8.2
305.24780	9.2
312.35336	2.0
317.24673	7.8
321.24301	5.6
325.25403	3.4
329.24786	7.8
333.24280	3.5
336.04361	1.9
343.26273	7.7
345.24561	3.0
350.24149	2.2
353.24619	12.4
361.27328	5.7
371.25769	35.5
389.26819	41.3
407.27826	32.6
425.28925	5.2
480.74780	2.1
583.21631	2.5
624.43439	4.5
625.44049	3.1
642.26086	2.8
642.43604	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
53.30262	1.1
55.01870	1.5
55.05511	7.6
57.03431	2.7
57.07071	2.9
58.06615	1.6
61.02925	2.8
67.05504	19.9
67.44752	1.0
69.07074	7.6
69.50826	2.9
70.06606	3.9
76.24283	1.0
79.05494	13.9
81.07066	17.0
83.04973	2.0
83.08620	3.8
85.02917	1.9
86.09710	2.4
88.07635	4.8
91.03967	1.0
91.05477	16.9
93.07041	15.2
95.04966	4.2
95.08596	12.4
97.02901	1.6
97.06535	2.1
97.10175	2.4
102.09174	4.0
104.10737	5.6
105.04575	0.9
105.07033	18.4
107.04949	2.6
107.08601	6.7
109.06532	2.0
109.10149	6.1
111.08089	1.2
117.07043	9.0
119.08586	11.2
121.06509	4.2
121.10133	6.8
123.08059	2.1
125.06050	0.8
125.09597	1.0
128.06232	1.2
129.06993	8.4
131.08571	17.4
131.82104	0.9
133.06519	1.7
133.10135	7.6
134.38667	1.0
135.08023	1.1
135.11684	3.0
137.09660	1.3
141.06996	4.0
143.08527	6.2
145.06499	1.6
145.10124	9.6
146.98148	1.5
147.08049	2.8
147.11647	2.6
149.02336	8.3
149.05859	1.1
151.11218	1.2
155.08507	4.6
157.10088	4.8
159.08115	1.6
159.11713	2.9
167.08543	2.0
169.10094	4.0
171.11676	2.1
173.09569	1.3
173.13242	3.0
181.10150	1.9
183.11664	3.0
185.13263	2.3
193.04996	10.7
193.12323	1.1
195.11720	1.8
197.13203	1.3
199.14841	1.8
211.14777	1.5
213.14668	1.1
215.14372	1.7
223.14818	1.9
225.16364	1.2
226.10982	1.0
233.15450	1.3
261.18457	1.3
275.19952	1.1
284.29575	7.7
296.41373	1.1
305.98093	5.0
325.25253	1.6
335.23694	2.4
341.06485	1.7
343.26385	2.9
353.24850	7.5
359.08167	1.2
371.25833	8.3
380.63300	1.1
385.09064	9.7
389.26837	4.1
427.28305	2.8
445.29495	100.0
446.29877	7.8
463.30536	42.7
463.37222	1.8
464.30896	2.9
467.97681	1.1
519.09711	1.1
553.34943	1.2
642.27808	4.1
642.37567	15.2
643.26758	1.5
643.36444	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	642.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05504	7.3
57.03428	1.9
57.66476	0.8
59.04312	0.9
61.02924	2.6
62.10356	0.8
64.67485	0.8
67.05504	15.5
69.03408	1.2
69.07069	4.0
69.52390	2.7
71.05028	1.3
79.05492	11.7
81.03460	1.1
81.07053	15.4
83.04990	1.0
83.08627	3.0
85.02887	1.8
85.06538	1.6
91.05480	15.8
93.07049	12.1
95.04967	3.2
95.08594	9.2
95.19882	0.8
97.02898	1.4
97.06544	1.7
97.10168	2.1
98.22594	1.0
105.07028	16.5
107.08586	7.0
109.06550	1.6
109.10162	3.2
111.08101	1.5
117.07011	10.2
119.08577	10.2
121.06484	0.9
121.10143	4.3
123.08055	1.0
129.07025	6.3
131.08560	14.3
133.06471	1.6
133.10095	6.1
135.08046	1.7
135.11688	1.4
141.06995	2.3
142.07813	1.0
143.08557	6.2
143.64211	0.9
145.06413	1.0
145.10110	9.2
147.08025	1.4
147.11703	1.7
149.09618	1.4
149.13217	1.6
155.08546	2.9
157.10115	4.7
159.11685	4.2
161.09682	1.3
161.13152	1.0
163.66383	1.1
169.10139	3.7
171.11725	2.6
173.13264	2.5
175.11279	1.6
181.10162	2.3
183.11681	1.6
185.13330	1.6
197.13348	2.6
199.14883	1.4
209.13228	1.3
211.14935	1.8
223.15045	1.0
225.16525	1.3
259.16974	1.1
275.20032	1.0
325.25589	1.1
335.23398	1.2
353.24698	4.2
371.25842	6.0
389.26834	6.3
427.28302	1.4
445.29468	100.0
446.29822	4.9
463.30490	24.6
464.30658	1.1
551.25580	1.2
642.27722	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	643.1844
Annotation	Anacarduflavanone
Peak:m/z	Relative Intensity
56.84625	0.4
57.03430	0.6
64.53641	0.4
69.03419	0.8
71.04999	1.3
73.02901	1.0
83.04971	1.5
85.02898	4.6
86.03192	0.7
88.63019	0.4
91.72852	0.4
97.02904	0.6
99.04459	0.7
111.04454	1.0
125.06026	0.5
127.03949	0.5
129.05478	1.1
133.54805	0.4
135.04419	0.9
137.05988	1.1
138.06276	0.5
147.06505	0.6
153.05502	0.5
154.05930	0.4
155.03207	0.4
157.04964	0.8
163.03995	1.0
164.04340	0.4
167.07088	0.5
168.03940	0.7
169.04758	0.5
170.08150	0.8
171.06554	0.5
173.55330	0.4
183.06615	0.5
185.04317	0.5
187.10800	1.0
275.07727	0.6
299.05692	0.5
301.08893	10.5
319.10034	1.3
365.08508	3.8
463.14072	0.9
511.14148	2.3
643.18353	100.0
644.18481	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50911	0.9
67.05520	0.9
69.03429	1.8
71.42181	0.9
81.03411	2.1
82.30653	0.9
85.02900	4.3
87.00825	1.2
91.05446	1.2
96.34190	0.9
97.02882	2.8
105.01900	2.6
109.02911	2.7
123.08063	1.4
127.03929	3.0
128.22546	0.9
147.04439	3.2
151.03909	18.5
151.05016	1.3
189.03940	0.9
273.05997	1.1
289.57062	0.9
557.23505	22.5
558.24713	1.1
599.24524	25.6
600.25287	1.6
643.23535	100.0
644.24457	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05450	0.4
77.94680	0.3
81.07026	0.7
88.03817	0.3
91.05446	0.6
91.08457	0.3
93.06973	0.5
96.56908	0.3
98.22713	1.0
105.06983	0.3
123.27995	0.3
129.72369	0.3
138.45042	0.3
260.51135	0.3
265.67322	0.3
297.98352	0.3
376.46249	0.3
396.12158	1.1
397.13092	1.6
398.14008	0.8
399.14322	0.5
409.13025	1.1
410.13641	2.3
411.14444	7.0
412.15176	4.7
413.16019	2.1
422.13480	0.6
423.14529	1.4
424.11185	1.4
424.15298	2.5
425.16177	12.3
426.16895	8.9
427.17596	2.1
428.18820	1.6
437.11542	0.6
437.16611	0.7
438.12302	3.3
439.13528	14.0
440.13263	0.5
440.19073	5.3
441.19263	36.6
442.19736	3.4
443.17139	0.4
451.13657	0.8
452.14246	3.8
453.15286	15.9
454.15854	4.6
456.13821	0.4
457.14883	0.5
463.13556	0.7
465.15634	1.0
466.11871	0.5
466.17218	0.5
467.17102	26.2
468.17828	15.1
469.18729	13.4
470.18796	0.9
471.16754	0.9
478.16006	0.4
479.16910	0.5
480.17935	0.4
481.14658	15.1
482.15442	4.0
485.18158	0.9
487.19806	0.4
494.42062	0.3
495.16962	3.0
495.26636	0.4
496.17172	14.3
497.17758	3.3
498.19165	0.5
499.19916	0.9
508.18826	0.5
509.18307	2.8
510.18616	0.7
512.20758	1.5
513.21301	0.6
514.22662	2.1
523.19659	1.3
524.20563	0.9
526.19165	0.4
527.23444	2.5
528.23462	0.5
537.18732	0.5
539.19037	0.6
540.19897	0.9
542.21759	0.7
545.23877	0.4
551.19299	0.4
555.22412	25.4
556.22668	2.4
568.19635	0.4
583.21851	100.0
584.22070	7.9
586.21198	0.5
587.24866	1.6
611.21106	1.4
614.23450	0.7
615.24512	9.9
616.24530	0.8
643.23877	56.7
644.24127	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	643.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98915	0.5
103.75309	0.3
105.11636	0.3
107.08620	0.3
113.04723	0.3
114.21130	0.3
123.08118	1.0
127.55668	0.4
140.67346	0.4
146.89026	0.3
147.04411	0.8
151.03893	1.8
169.04732	0.8
178.03062	0.3
181.04980	0.4
185.04292	0.8
193.15846	0.4
233.15125	0.6
287.07428	0.5
347.09430	1.0
365.10764	0.4
377.19388	1.2
389.10492	1.9
395.20352	13.7
396.20905	0.6
407.11743	0.7
423.19778	5.1
437.21527	0.6
539.24255	1.9
557.25665	20.2
558.26068	1.4
581.25714	0.7
599.26678	32.7
600.26843	2.7
617.86230	0.4
643.25616	100.0
644.26007	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33416	0.5
52.52060	0.5
69.03438	0.5
72.58583	0.7
79.79272	0.6
81.03448	0.7
85.02915	1.4
95.01106	0.8
96.01891	0.8
97.02850	0.7
98.23453	1.2
104.27010	0.6
109.02882	0.6
113.02174	1.2
123.08109	1.8
137.09624	0.6
139.03708	1.6
141.05254	0.8
151.03900	9.2
151.05016	1.2
169.04790	1.2
170.20885	0.5
185.04242	0.8
186.05183	0.7
227.05363	0.8
233.15216	1.4
245.06297	3.9
261.14767	0.7
273.06158	0.9
275.16232	0.7
316.16422	0.5
318.17651	0.6
331.09979	1.3
347.09616	1.6
377.19199	4.2
389.10526	2.8
395.20465	2.5
437.21414	8.6
539.24841	7.6
545.09949	0.6
557.25659	20.4
557.34265	1.0
558.26123	1.6
599.26733	95.0
600.27161	6.1
643.25665	100.0
644.26111	6.8
658.68359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05504	5.5
57.03433	2.0
60.05605	1.7
67.05507	11.0
69.06025	14.0
69.07055	3.3
72.29707	1.8
79.05483	8.2
81.07054	11.8
83.08619	3.5
91.05480	8.6
93.07045	6.2
93.83267	1.9
95.04963	4.3
95.08596	7.6
105.07023	7.7
107.08569	4.2
109.06522	2.9
109.10155	3.1
117.07004	3.3
119.08575	6.8
121.10175	2.6
125.09640	2.0
126.88345	1.7
131.08569	5.3
132.08087	2.2
133.10130	2.1
135.08025	3.3
135.11790	3.0
137.09456	1.9
140.04443	1.9
145.10075	2.6
157.10098	2.1
159.11681	1.9
175.14810	2.2
209.10695	2.3
221.10744	2.6
225.13954	2.7
235.12196	2.1
237.13646	2.2
249.13857	2.2
252.43950	1.8
261.13892	1.9
273.18488	3.3
291.19553	9.4
304.13962	2.4
312.12497	2.0
314.16296	2.2
335.25790	3.2
338.16470	2.8
340.18134	3.4
350.16357	2.6
352.17957	4.0
363.16074	2.3
364.17987	2.5
365.17953	3.5
365.23212	2.3
366.19247	2.0
379.19504	5.3
381.21234	2.1
391.19711	3.1
392.20557	3.9
393.16830	3.9
393.21323	4.2
407.18567	5.2
408.19406	3.9
409.20132	7.3
421.20282	9.2
422.21365	5.5
423.22043	19.1
424.22388	3.1
435.22150	9.5
436.22473	6.4
437.23950	9.3
440.74313	2.1
446.21002	3.2
450.24734	2.4
451.25018	7.3
461.23218	7.2
464.22260	2.7
465.22635	6.7
467.20767	3.1
479.24142	8.4
480.23502	3.0
481.22305	16.3
482.23218	3.6
494.23294	13.6
495.23642	7.7
496.24982	9.8
497.25409	9.6
507.23798	3.9
509.21384	3.8
511.26834	5.4
512.27307	4.0
523.23535	18.4
524.24213	11.6
539.26416	16.1
541.24817	4.9
551.22644	4.2
556.26123	3.3
567.25970	26.0
568.25702	3.3
569.24048	9.0
581.27734	3.2
583.25531	53.6
584.25714	10.8
599.28595	92.8
600.28082	6.5
601.26587	3.3
611.24945	100.0
612.25366	5.8
624.43158	3.7
625.43823	3.4
643.27380	10.6
673.32184	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01866	9.2
55.05513	35.4
57.03441	15.0
57.07068	6.8
59.81408	2.1
65.03938	4.0
67.05169	4.4
67.05508	77.3
69.03426	4.8
69.07069	32.2
69.09183	20.5
71.04982	7.3
79.05493	74.6
81.03396	6.1
81.07059	100.0
83.04959	11.3
83.08614	16.5
85.06536	7.6
91.05479	65.8
93.07042	75.6
95.04972	20.2
95.08611	62.3
97.06528	12.2
97.10172	6.0
99.08074	6.5
103.22321	2.5
105.04517	4.3
105.07027	65.8
107.04942	8.8
107.08585	44.3
109.06507	9.9
109.10159	25.6
111.08105	6.4
115.05371	3.9
117.07024	25.2
119.08589	54.2
121.10150	32.2
123.08087	6.7
123.11676	7.9
124.04500	2.7
127.65284	2.1
128.06252	3.2
129.07011	16.0
131.08566	33.2
133.06410	2.5
133.10129	35.6
135.08037	5.3
135.11690	22.9
137.09647	7.6
139.11180	3.0
143.08551	14.5
145.10115	31.7
147.11678	31.1
149.09674	5.9
149.13246	12.3
151.11191	4.9
155.08582	4.9
157.10159	12.2
159.11719	21.5
161.09555	2.4
161.13274	20.4
163.11215	8.3
163.14745	2.7
169.10101	6.4
171.11699	16.2
173.13264	10.3
175.11153	4.9
175.14795	9.2
177.12711	5.0
181.10086	2.7
183.11707	9.2
185.04808	2.7
185.13254	10.3
187.14821	7.7
191.10725	2.8
195.11652	3.7
197.13261	5.8
199.14818	4.9
202.90817	2.4
207.11656	3.4
211.34483	2.6
213.12602	2.3
213.16435	3.1
227.12862	5.8
231.17224	2.9
231.20943	3.1
239.17996	5.4
241.19568	15.4
247.20525	3.3
257.19019	7.9
259.20575	29.0
261.22156	4.9
263.20020	5.3
267.15979	3.1
271.20541	2.5
273.18420	6.8
275.20078	28.1
289.21622	8.6
291.19476	3.8
333.24188	27.3
335.25906	6.6
347.21982	3.3
349.23654	9.8
363.25589	3.7
365.23172	4.4
367.24664	7.1
419.89471	2.5
515.37238	6.0
527.37299	4.2
545.23840	3.2
545.38409	5.7
551.40564	4.3
607.43359	8.5
625.44714	29.8
643.45239	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61399	2.2
53.03941	6.7
55.01866	12.2
55.05506	34.0
57.03429	12.1
57.07064	4.5
67.05162	4.2
67.05501	68.9
69.03418	3.5
69.07064	29.8
69.20213	14.1
71.04971	5.3
79.05492	62.1
81.03415	3.9
81.07056	100.0
83.04974	10.7
83.08614	19.8
85.06531	3.4
91.05472	53.5
93.07043	62.3
95.04967	15.5
95.08602	53.4
97.06548	13.7
97.10203	6.3
99.08098	3.0
105.04533	3.8
105.07030	62.9
105.07714	4.0
107.04949	6.0
107.08598	43.4
109.06508	10.0
109.10154	23.6
111.08140	4.5
113.05974	3.0
117.07018	22.9
119.08577	49.4
121.06523	3.5
121.10139	30.0
123.08038	8.2
123.11686	10.1
125.09628	6.7
128.06284	3.8
129.07034	12.8
131.08560	38.3
133.10104	37.5
135.08064	6.8
135.11670	22.0
135.55089	2.6
143.08588	12.2
145.10106	30.5
147.08055	5.0
147.11690	33.9
149.09625	10.3
149.13243	16.0
151.11177	5.6
155.08582	4.0
157.10146	13.0
159.11688	25.3
161.13277	19.8
163.11192	7.3
163.14824	4.1
165.12740	3.2
169.10144	5.9
171.11722	12.2
173.13298	13.9
175.11220	3.1
175.14812	9.7
181.10231	4.2
183.11681	8.3
185.13248	10.6
187.14705	6.3
189.16345	3.1
195.11655	3.9
197.13266	6.7
199.14883	8.3
201.12842	3.6
209.13313	2.9
227.12885	3.4
227.18025	2.7
235.14700	3.8
239.18176	3.7
241.19585	14.5
243.52699	3.2
257.19067	8.1
259.20560	19.8
261.22083	7.7
263.20184	7.7
269.17392	3.9
273.18561	9.7
275.20026	24.9
277.21704	4.3
289.18372	3.5
289.21399	14.6
291.19540	8.6
293.21216	3.0
315.23242	4.0
333.24252	24.3
335.25885	12.8
337.23615	4.9
349.23715	8.7
363.25302	4.9
365.23196	7.3
367.24863	8.2
513.35522	3.4
515.37598	7.8
527.37256	8.8
533.39758	5.3
545.37994	4.0
551.40668	4.4
588.54694	3.0
599.28326	3.4
607.43286	15.0
625.44574	40.1
643.27008	4.8
643.45837	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	644.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05510	11.0
55.20340	0.7
57.03426	1.9
57.07067	4.1
59.04986	1.2
61.02916	2.1
65.03915	0.9
67.05500	17.7
69.03409	5.0
69.07067	5.0
69.50182	0.7
70.06601	0.8
71.04990	10.0
71.43209	1.0
73.02901	1.8
76.37797	0.8
79.05485	8.1
81.03400	1.3
81.07050	99.8
82.07393	0.9
83.08627	2.7
85.02897	12.1
85.06533	6.4
89.06016	2.9
91.03959	2.2
91.05453	2.1
93.06515	1.3
93.07040	12.3
95.04955	7.1
95.08597	26.1
96.08951	1.0
97.02859	4.6
97.06512	1.2
97.10162	11.3
99.04437	2.2
99.08068	2.9
105.07010	3.5
107.08590	6.0
109.02842	1.3
109.06506	4.4
109.10145	4.8
111.08054	3.4
113.06009	1.7
121.10136	4.9
123.08079	1.8
123.11697	100.0
124.12029	1.9
127.03899	2.4
133.10120	5.6
141.12714	4.3
145.04936	3.1
149.09639	0.9
151.11159	21.3
152.11549	1.0
162.50362	0.9
163.05949	1.9
169.12225	97.6
170.12511	1.5
187.13280	67.5
213.29156	0.7
257.13889	0.9
285.13135	1.1
303.14334	12.9
361.14792	1.1
464.15314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
55.01860	6.0
57.03434	5.7
60.54372	1.4
61.02915	6.4
67.05495	3.6
68.99789	6.2
69.03423	44.8
69.26652	9.2
71.01364	3.8
71.04978	7.4
73.02911	5.7
81.03409	41.7
83.01353	2.1
83.04974	9.3
85.02895	99.3
87.00818	44.8
92.37167	1.3
95.04963	6.0
97.02882	43.0
97.03490	2.6
98.22726	3.3
99.04441	16.5
101.02401	2.4
103.03922	7.5
105.01853	41.1
107.04927	2.0
109.02868	57.0
111.04396	8.8
113.02316	1.4
117.01854	2.4
123.04421	7.3
125.02353	4.1
125.63799	1.5
127.03897	100.0
129.01868	4.5
132.88326	1.4
138.89464	1.5
139.03906	3.1
141.05449	1.8
145.04942	23.7
147.02864	3.1
151.03908	11.4
159.02855	11.5
163.03922	2.3
165.05501	4.1
169.04921	12.5
171.02824	2.4
187.05984	9.1
189.03877	21.9
189.05418	2.6
193.04947	8.8
200.68907	1.5
213.03958	17.2
217.04997	2.0
231.04958	25.0
231.07047	2.3
233.06459	3.5
235.06039	6.0
249.06044	6.1
253.06982	2.8
255.05026	4.0
269.06726	2.3
273.06012	52.8
297.06003	2.0
315.07114	7.2
321.05795	2.1
339.07016	10.3
357.08084	8.0
396.20596	3.4
443.08179	7.1
461.09158	11.0
479.10349	2.1
494.79904	1.7
497.72824	1.7
521.77734	1.7
558.26117	11.1
600.26941	20.3
624.88782	1.7
628.45667	1.5
644.25940	42.4
645.26099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55225	0.7
53.03941	4.7
55.01871	4.0
55.05503	7.7
57.03434	3.5
57.07071	12.7
59.04986	3.3
61.02921	3.7
68.99785	1.1
69.03419	19.0
69.07061	66.6
71.04986	8.5
71.08620	12.1
73.02901	3.4
73.06543	10.3
81.03408	14.7
83.01357	0.8
83.08628	2.1
85.02894	54.1
85.10159	5.2
87.00820	29.5
89.06023	36.9
91.03950	1.0
91.05424	0.8
92.76266	0.8
97.02884	24.9
99.04454	6.7
99.11735	1.7
105.01858	44.0
109.02869	21.5
111.11707	94.1
112.12045	2.1
115.03923	1.2
117.01853	1.3
121.65307	0.8
127.03902	43.2
127.21351	0.7
129.01804	1.8
129.12738	100.0
130.13106	1.0
145.04941	17.7
159.02834	6.5
189.03860	1.3
199.16905	16.5
213.03905	6.3
217.17952	13.1
231.04968	20.0
249.06046	6.9
253.06979	1.8
275.08765	0.7
320.25000	0.9
320.38632	0.8
342.35373	0.8
393.10495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01868	3.4
55.05503	7.4
55.71975	0.9
57.03418	2.7
57.07071	11.6
59.04985	2.7
61.02922	3.5
63.49747	0.8
68.99799	1.6
69.03062	1.6
69.03424	19.5
69.07063	48.7
69.66201	3.8
71.04996	5.2
71.08632	7.5
73.02914	3.5
73.06550	8.8
79.69073	0.9
81.03415	14.7
81.07056	1.1
83.04972	1.1
83.08606	1.1
85.02900	47.1
85.10172	3.9
86.03268	1.0
87.00825	29.0
87.04485	0.9
89.06023	24.7
95.08597	1.0
97.02889	29.6
99.04446	7.0
99.11735	0.9
103.03928	0.8
105.01861	44.5
109.02877	16.1
109.10156	1.4
111.04456	1.3
111.11711	72.9
115.03932	1.4
117.01922	1.0
121.10116	1.0
127.03905	44.5
129.01825	2.2
129.12744	100.0
130.13094	2.2
142.24297	0.9
145.04939	19.6
147.02954	0.9
159.02899	5.7
163.03928	1.1
171.02887	0.9
199.16940	16.3
213.03880	3.2
217.17982	27.6
218.18288	1.0
231.04976	16.9
233.81963	0.9
249.06120	7.1
323.15222	1.0
359.16895	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	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
53.87533	0.6
55.01871	1.8
55.05507	5.1
57.03425	4.0
57.07078	1.0
59.04976	0.6
61.02924	6.2
65.03927	0.8
65.45964	0.5
65.46313	0.5
67.05498	9.6
69.03430	4.0
69.07057	2.9
69.33796	2.9
71.04984	3.0
73.02913	2.7
79.05482	8.8
81.03412	25.3
81.07053	23.9
83.04977	4.7
83.08615	9.5
85.02900	18.2
85.06526	2.0
86.51288	0.6
87.00820	1.3
91.03941	5.2
91.04938	0.8
91.05474	9.5
93.07047	8.0
95.04961	11.3
95.08608	7.9
97.02885	6.1
97.06493	1.5
97.10152	3.4
99.04429	1.1
105.01828	0.6
105.07024	7.2
107.04935	2.6
107.08577	3.9
109.02866	2.4
109.06501	2.3
109.10164	1.1
111.04472	0.8
111.08092	5.1
113.05969	0.9
117.06989	0.8
119.08577	6.6
119.22748	0.6
121.06494	0.9
121.10151	4.8
123.08036	1.0
123.11698	16.1
124.03896	0.6
125.09665	0.8
127.03902	4.8
127.07521	0.6
129.06992	3.1
131.08542	4.1
133.06448	0.9
133.10123	5.1
137.09599	0.6
141.12733	0.7
142.07791	0.8
145.04910	2.7
145.10103	0.7
147.08034	0.9
147.11665	6.5
149.09579	2.3
151.11168	4.2
157.10110	6.1
163.06007	3.6
165.12735	1.0
169.12222	11.8
175.11163	7.5
187.13289	5.8
191.61124	0.6
193.12231	24.3
209.64677	0.5
211.13278	16.7
213.04004	0.7
218.49217	0.6
267.15875	7.0
285.16943	100.0
286.17255	2.5
343.13770	0.9
361.14899	9.2
393.18951	0.7
396.78290	0.6
399.16980	0.7
411.20181	0.7
417.17392	0.8
429.21201	1.6
447.22302	2.4
464.15521	0.8
475.90912	0.6
666.68634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.5
57.07074	29.9
61.39237	1.4
67.05506	6.6
68.80872	1.5
69.07069	4.0
71.08631	28.5
71.43732	2.1
73.06552	7.6
75.13499	1.6
79.05495	4.8
81.03425	2.6
81.07056	5.3
83.08607	3.5
85.10179	17.6
87.04478	6.7
89.06029	100.0
91.05463	2.0
91.07595	1.9
93.07050	3.2
94.86935	1.4
95.05003	3.5
95.08607	2.9
97.10162	4.7
99.11745	3.6
105.07054	3.1
107.07055	2.5
107.08598	1.8
111.11742	3.9
113.13290	3.4
117.09126	7.6
119.08575	1.7
131.07060	4.0
131.08539	1.6
133.08600	53.0
161.11771	2.1
169.19565	2.9
177.11220	20.9
197.43137	1.4
213.22153	3.5
221.13855	4.4
239.14787	1.5
257.24716	8.2
265.16183	1.5
301.27411	4.0
330.45685	1.9
340.18842	1.6
459.27878	3.0
529.38672	4.8
627.46704	5.2
644.48926	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	645.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42674	0.6
83.57433	0.4
85.02893	0.9
99.32351	0.4
104.01911	0.4
119.08553	0.5
122.62328	0.4
151.03912	1.5
181.05009	2.0
185.04225	1.0
201.03745	0.7
203.05238	5.0
204.08965	0.4
258.06213	0.5
259.07925	0.8
285.14691	0.9
287.15790	0.5
297.16733	0.5
303.15570	1.2
366.16400	0.8
407.17181	0.4
421.21967	7.9
456.03967	0.4
465.20761	3.3
467.22537	0.5
483.21964	8.5
645.27222	100.0
646.27869	5.0
650.93756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92928	0.4
61.75144	0.4
65.03955	0.9
66.26971	0.4
67.05512	0.6
69.07069	1.9
69.64561	1.7
70.06594	1.2
74.20209	0.4
79.05513	0.5
88.07642	1.5
94.06572	2.8
95.04956	0.6
102.09237	0.5
106.75725	0.4
108.08101	1.1
116.04977	1.0
119.36639	0.5
120.08077	0.6
122.06024	7.8
122.06844	0.6
124.07581	0.8
138.35924	0.4
140.07048	9.0
140.08136	0.5
144.04456	1.2
145.05225	0.9
146.05986	5.5
147.06821	0.5
148.07600	1.1
149.02361	3.8
149.03455	0.7
151.37106	0.5
162.05502	1.1
163.06348	0.8
170.09709	0.5
172.03926	6.5
173.04640	1.0
174.05478	5.6
176.07027	2.8
182.09715	0.8
186.09312	0.7
190.04996	1.3
191.05698	0.5
193.04997	1.7
193.06650	0.5
196.44783	0.5
197.10788	1.9
198.09129	2.3
200.20067	3.6
204.06569	8.2
206.08156	3.3
209.10748	0.8
210.07840	0.7
211.08702	1.9
211.12157	0.5
212.09244	0.8
213.10182	0.7
215.11890	1.8
223.08650	0.6
224.09241	1.0
225.10210	6.7
226.08693	1.0
226.10837	0.8
227.11765	5.7
237.10127	2.1
238.11063	1.2
239.11690	3.2
240.08701	0.6
241.09663	0.6
241.13350	0.5
243.11267	9.5
249.10294	1.5
250.11197	0.6
251.08029	0.8
251.11911	1.6
253.09631	2.6
255.11375	2.0
261.12347	1.6
261.68039	0.5
263.08145	0.9
264.08893	0.8
265.09668	4.0
266.10464	0.6
267.11383	1.9
269.12991	1.0
271.10797	0.9
277.09814	1.6
278.10477	0.9
279.11304	1.4
284.11630	0.9
285.12323	17.2
286.12991	0.7
289.13391	0.6
291.11316	0.7
297.12238	4.5
298.13199	3.9
299.14102	2.1
300.11789	0.5
300.14966	0.6
301.12091	3.1
301.15558	8.8
302.12857	0.8
309.12317	1.2
311.13980	3.1
312.14859	1.6
313.11826	7.3
314.12830	2.6
315.13779	2.4
316.11340	0.6
316.14450	3.8
317.14948	8.3
318.15677	0.6
327.13577	2.2
327.17261	1.0
328.11035	0.8
328.14496	2.3
329.11581	1.5
329.15347	3.3
330.12323	2.1
330.16089	4.3
331.12888	1.9
331.16812	5.2
332.17584	1.1
335.10376	0.7
337.11880	1.3
338.12888	0.9
340.14590	0.9
341.11990	1.0
341.18912	0.5
342.12369	6.3
342.16080	1.2
343.13107	4.0
343.16522	0.5
344.13882	1.1
344.17651	5.2
345.14420	4.3
352.14438	0.9
354.12347	0.7
354.16269	1.0
355.13971	2.0
356.13837	4.5
356.17389	0.5
357.14951	3.2
358.15359	7.6
367.13184	0.6
368.14230	0.6
369.11023	1.0
370.11697	1.6
370.15619	3.9
371.12329	0.9
371.16382	1.5
372.17096	2.8
380.14023	1.2
381.14343	0.7
382.11530	4.2
382.15842	1.7
383.12317	2.4
384.13318	15.5
385.13947	4.5
386.14761	5.3
386.18936	1.1
394.15530	1.1
397.14297	0.7
398.14951	15.7
399.15750	23.3
400.16446	42.3
401.16861	2.6
402.18448	0.9
403.10196	1.0
404.19699	4.0
405.20615	0.7
412.16714	1.5
413.17090	0.7
414.18179	1.9
416.16119	1.9
417.20761	0.9
422.14853	0.8
426.18460	0.8
428.19672	2.2
429.20651	0.6
430.17532	2.7
431.18378	6.2
432.19070	4.8
432.24435	0.7
440.15906	1.2
444.19269	2.3
445.20001	1.6
454.17642	2.8
455.18054	0.8
456.19312	0.6
458.17065	1.9
462.19424	0.5
472.18637	31.8
473.12830	1.1
473.19370	17.4
474.20148	4.9
504.21265	4.9
505.21960	3.4
539.23187	0.7
569.27582	1.1
571.25476	3.6
595.25641	4.1
596.23944	0.6
613.26501	100.0
614.26764	7.8
645.29364	3.2
646.32245	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.6
62.65435	1.9
67.05504	12.9
69.07072	8.5
79.05493	7.8
81.07059	15.8
83.08633	3.0
91.05473	11.0
93.07019	10.0
94.06564	3.6
95.08606	8.0
95.15469	1.8
97.10168	2.4
98.23420	6.2
105.07057	12.1
107.08585	5.6
109.10155	3.9
117.07042	4.3
118.24003	2.1
119.08591	6.8
121.10130	6.6
122.06020	12.3
124.07549	2.0
129.07007	4.7
131.08588	7.2
133.10138	7.3
135.11690	3.8
140.07043	15.6
143.08533	4.5
144.04393	2.5
145.10112	5.6
146.06015	7.9
147.11720	2.4
155.08601	2.4
157.10155	3.4
159.11656	3.3
162.05536	3.2
171.11667	2.7
172.03928	21.2
174.05470	4.7
176.07057	2.4
198.09132	6.2
204.06578	36.7
206.08131	12.7
211.08540	2.2
213.10138	2.7
215.11783	7.9
225.10248	5.8
227.11742	14.7
237.10367	2.9
239.11777	5.0
243.11281	36.1
251.07948	2.2
255.11340	5.4
257.12830	2.5
265.09775	5.4
285.12308	39.2
286.12799	2.5
293.68933	2.1
297.12387	4.5
298.12970	3.9
301.12411	3.8
301.15439	23.1
313.11749	5.8
315.13632	4.8
316.14203	4.1
317.14948	27.0
328.14395	3.6
330.15912	6.9
331.12851	4.8
331.16650	5.7
337.24927	3.0
339.13458	4.5
342.12628	6.1
343.13245	3.9
344.17593	7.5
345.14374	14.2
349.16769	5.2
355.26196	5.8
356.13983	3.2
357.14777	2.3
358.15518	6.0
370.15579	3.1
372.17148	2.7
382.11636	3.0
383.12357	2.9
384.13422	11.9
385.14001	2.9
386.15137	6.7
398.15039	15.5
399.15662	39.5
400.16464	39.0
401.76132	2.1
404.19550	4.1
414.18332	2.7
427.46176	2.6
429.29672	6.0
431.18469	4.1
432.19168	4.6
447.31042	30.3
454.18033	2.5
465.32114	11.1
472.18768	30.4
473.19421	18.6
474.20471	3.6
504.21039	4.7
512.13861	6.4
551.18536	2.8
555.18799	3.4
561.68811	2.2
571.25232	3.8
613.26575	100.0
614.26538	9.4
645.19110	6.8
645.33325	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47292	0.5
55.05514	0.6
67.05509	1.8
69.70758	2.1
79.05486	1.0
81.07063	1.4
81.66700	0.6
91.05450	1.0
93.07052	1.0
95.08624	1.0
98.23407	0.8
109.10110	0.9
121.10142	0.9
122.90199	0.6
131.08611	0.7
193.63971	0.6
209.55458	0.6
223.05817	1.7
273.41599	0.5
397.87491	0.6
399.54120	0.6
463.26544	3.2
545.30591	0.6
569.21637	1.0
645.32385	100.0
646.32886	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	646.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
59.90509	1.0
61.02904	1.1
65.03946	1.3
66.18171	1.1
67.05493	5.9
69.03423	4.1
69.70019	3.6
69.70366	1.5
70.06590	1.2
81.03422	1.8
81.07042	1.0
85.02898	5.9
88.77048	1.1
91.05486	2.5
93.07027	2.2
94.06561	7.2
95.08620	1.3
97.02895	7.0
108.08091	3.6
109.02892	2.0
120.04510	1.3
122.02380	2.0
122.06019	14.2
123.11651	1.2
127.03923	2.5
135.04486	1.1
136.07574	7.7
140.07050	1.3
146.06007	2.9
147.04387	6.2
148.07573	2.1
150.09047	2.0
151.11172	1.4
160.07574	4.3
161.08365	1.5
162.09079	2.8
163.03891	6.3
164.07097	1.9
166.08615	6.6
169.12187	1.2
171.09068	1.2
173.10747	1.9
174.09109	3.9
187.08650	2.8
188.06946	2.2
197.10730	2.3
198.09108	6.7
199.08655	4.2
199.12209	1.5
200.09262	1.8
200.10867	1.8
201.10233	13.4
202.08685	1.6
204.06589	2.4
206.08119	1.6
208.09883	1.2
211.08641	3.1
212.10835	1.9
213.06705	1.4
213.10222	6.1
214.08812	1.3
214.10884	1.3
215.08194	6.4
215.11794	8.6
216.08731	1.4
217.09726	1.6
218.11618	1.2
220.09648	9.8
223.08755	1.7
225.10287	3.1
226.08725	3.1
227.08020	5.9
227.11696	1.6
229.09717	12.3
230.10460	2.7
231.11328	2.8
237.10297	2.9
239.08121	5.6
239.11839	3.8
240.08641	2.9
241.09694	9.5
242.10580	4.1
243.07591	2.7
243.08745	1.9
243.11272	33.1
244.09457	1.4
244.11874	1.6
245.12891	3.2
246.07646	6.4
247.10808	2.5
248.09045	1.8
251.08177	1.8
253.09769	5.4
254.10605	1.5
255.07596	1.3
255.11261	4.8
256.12088	3.3
257.09113	6.7
257.12863	7.3
258.09982	7.1
259.10742	12.5
261.08707	1.2
261.09296	1.5
261.12247	12.5
264.08597	2.0
265.09689	4.4
267.11319	3.3
268.09589	2.9
269.09216	10.7
269.12683	2.7
271.10754	17.7
273.08865	1.6
273.12280	2.0
275.10385	1.2
283.10703	7.8
285.12283	23.1
286.13168	13.4
287.10236	16.0
287.13834	6.7
288.10834	1.9
289.11780	18.1
289.15121	2.1
295.10861	1.5
301.11780	29.8
302.12506	2.2
303.13342	40.5
305.11295	1.2
311.10168	9.1
313.11832	14.1
315.09824	3.2
317.11319	2.7
319.12805	5.8
321.14435	8.4
329.11273	57.4
330.11932	8.3
331.12842	38.0
347.12436	2.0
361.13885	51.8
362.14413	3.2
363.15475	20.1
373.13870	1.4
391.16513	1.4
406.17749	1.7
408.19318	10.4
410.16867	2.6
434.17194	2.3
442.19626	11.5
452.18118	100.0
453.18347	3.0
466.19620	1.3
484.20749	61.5
485.21027	3.3
489.18600	3.0
505.17755	1.5
578.21313	1.4
628.24268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	32.6
57.03428	12.1
67.05502	97.9
69.07062	26.7
69.11459	31.3
69.11884	49.7
71.08743	11.2
79.05491	70.7
81.07054	79.5
83.08598	12.6
91.05475	80.9
93.07043	90.1
95.04935	21.9
95.08588	45.2
101.09186	9.7
102.22976	11.3
105.07020	100.0
107.08604	53.3
109.10136	22.9
117.07018	22.5
119.08601	70.8
121.10152	39.5
131.08585	25.2
133.10127	33.7
135.11659	13.0
141.92053	10.5
145.10132	21.1
147.11650	30.1
159.11620	12.6
223.44478	11.9
259.20502	29.6
335.25787	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	647.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62904	0.7
69.07056	2.0
70.06593	0.9
70.80798	0.9
78.12617	0.7
82.26778	0.7
91.05487	0.9
93.06998	0.8
94.06551	5.5
110.06040	1.6
112.07589	0.9
120.04391	0.8
122.06020	13.9
123.04360	0.9
136.07564	2.4
140.07059	15.5
144.04445	2.2
144.08061	0.8
145.05215	1.3
146.06003	13.8
150.05486	1.0
162.09126	2.4
163.03922	0.7
169.08813	1.0
170.09676	2.9
172.03920	12.1
172.07530	1.0
172.11285	1.0
173.04758	2.0
174.05516	9.5
175.08635	1.9
178.08629	1.3
180.10098	1.2
181.08713	0.8
184.11279	0.8
186.09152	1.1
187.12262	4.1
188.10725	0.8
189.07945	0.8
191.05687	1.6
192.06540	0.8
197.08423	0.9
198.09129	23.6
200.09328	1.9
200.10931	1.4
204.06546	19.8
206.08134	11.3
208.09708	3.4
210.09114	0.9
212.10779	5.3
215.11766	20.3
225.10196	1.5
226.08672	6.4
227.08257	2.4
227.11832	4.9
228.08745	1.8
229.13359	1.5
231.11246	1.2
239.11888	1.3
240.08763	0.7
240.10216	2.4
241.09737	2.9
241.13393	1.5
242.10469	2.7
243.11261	95.0
244.11497	1.4
255.11269	21.9
256.11871	2.0
257.12817	6.9
267.11276	0.9
269.09326	1.4
283.10739	2.2
284.11517	1.4
285.12305	100.0
286.12659	1.7
287.10269	2.1
301.11804	12.8
302.12720	1.3
303.13364	94.5
304.13626	2.5
311.10449	0.9
313.11758	9.6
331.12997	1.8
345.14374	5.5
429.14532	1.3
430.17688	1.4
456.15512	1.5
471.17798	2.1
474.16479	6.7
489.19571	1.7
492.17151	1.9
506.19632	1.0
571.24951	1.0
597.22992	1.7
615.24402	6.9
629.17987	0.8
629.26178	8.8
647.27893	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	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10732	0.6
52.74957	0.5
53.03928	0.8
53.87107	0.6
54.33031	0.5
63.36237	0.6
65.03910	0.7
67.05471	1.0
69.03403	1.0
69.07023	2.2
70.06591	1.0
81.03390	0.7
81.07069	0.7
84.08137	0.9
85.02896	1.0
94.06571	5.8
95.04961	1.1
97.06454	0.9
105.07008	0.7
109.02819	0.7
110.06002	1.3
113.73276	0.6
116.05030	0.9
118.06529	0.8
122.06026	14.9
136.07552	2.4
140.06030	1.2
140.07059	17.3
143.08543	0.9
144.04408	2.4
145.02756	0.6
145.05246	1.1
146.04904	1.1
146.06003	16.0
148.07564	1.0
150.05464	1.4
155.08524	0.8
157.08920	0.8
161.07071	0.7
162.05489	2.2
163.03918	1.1
170.09676	3.5
172.03932	13.7
172.07573	0.8
172.09871	1.2
172.11177	0.9
173.04665	2.0
174.05499	8.0
174.09100	0.9
175.08676	1.1
177.05551	1.3
183.06694	1.0
184.07568	0.7
184.11317	0.6
186.09111	0.9
187.12292	5.5
190.04970	0.7
191.05753	2.8
192.06590	1.3
197.08418	1.1
197.10748	0.7
198.09129	23.1
199.12180	0.9
200.09383	2.5
200.10947	1.3
201.13831	0.7
204.06564	20.2
206.08116	10.4
210.09122	1.4
212.10802	5.5
213.10101	1.1
215.11792	19.8
225.10158	0.8
226.08653	7.2
227.08279	0.9
227.11766	7.0
228.09027	0.9
229.09628	0.8
229.13373	1.3
231.11177	1.5
237.10202	1.1
239.11717	1.0
240.08655	0.8
240.10213	2.2
241.09694	2.2
241.13338	1.4
242.10471	2.6
243.11272	100.0
244.11617	2.4
255.11267	20.7
256.11984	1.7
257.12778	5.4
267.11240	0.9
283.10727	2.0
284.11649	1.4
285.12323	98.7
286.12677	2.6
293.09219	0.9
294.41089	0.6
301.11813	14.3
302.12451	1.3
303.13373	99.4
304.13657	2.6
313.11780	9.0
331.12881	2.6
345.14508	4.9
347.16071	0.9
367.14273	0.8
384.17065	0.7
399.19916	0.8
412.16620	0.9
429.14664	2.0
430.17603	1.7
446.17484	0.7
456.15570	1.5
471.17841	1.7
474.16443	6.6
488.18320	0.7
489.19260	1.3
506.18985	1.4
571.25696	1.2
597.23376	1.3
615.24597	6.8
629.26270	10.5
647.18524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74010	0.3
60.49047	0.2
67.05462	0.4
69.85437	0.9
89.37863	0.3
94.06526	0.5
98.22691	0.3
108.08046	0.5
120.08109	0.4
122.06034	2.0
122.09611	0.3
136.07533	0.4
138.09091	1.1
140.07031	0.7
144.04449	0.5
146.05991	0.8
148.07599	0.7
172.03918	0.4
172.07491	0.3
175.18382	0.3
180.10191	2.4
184.22620	0.3
184.54488	0.3
185.27716	0.3
190.04852	1.5
204.06514	0.7
208.09761	0.3
209.10695	0.3
211.08684	0.4
212.67876	0.2
221.10947	0.3
222.11563	0.8
223.08690	0.3
223.12231	1.7
224.10831	0.3
224.12956	0.8
225.10199	0.7
225.13803	0.7
233.08197	0.3
235.08598	1.0
236.09483	0.8
237.10233	1.6
237.13750	2.5
238.10966	3.9
238.14677	0.5
239.11752	3.3
240.12567	0.4
247.12274	0.4
248.10706	0.8
249.10052	1.9
250.10966	3.9
251.08073	0.7
251.11772	17.1
252.12473	3.2
253.09615	0.4
253.13351	1.4
263.11682	2.2
264.08902	0.6
264.12576	0.9
265.10034	0.6
265.13333	14.6
266.10455	2.2
266.13980	1.4
267.11078	1.0
267.14969	0.7
275.11774	0.7
276.10123	0.5
277.09851	0.7
277.13290	0.5
278.10364	2.3
279.11288	3.9
280.12039	0.6
281.12869	0.9
283.10776	1.0
283.13995	0.3
292.12045	0.4
293.12830	6.7
294.13440	0.4
297.15741	0.3
298.12997	0.8
306.09546	0.4
310.12930	2.2
311.13895	2.3
312.12286	0.8
319.10605	0.5
321.12335	1.9
323.13876	3.5
324.14493	0.4
325.15433	47.3
326.15955	3.2
338.12531	0.5
339.13196	0.3
345.14285	0.3
351.13370	3.6
352.14078	0.9
353.14926	37.6
354.15546	3.3
358.15973	0.3
371.16211	1.4
372.16693	0.3
383.16025	6.4
385.17545	100.0
386.17947	4.1
400.16116	0.8
401.16708	0.6
402.17087	0.5
411.26859	0.3
446.20703	1.6
457.16861	0.4
462.20236	0.4
473.18802	0.5
474.20120	6.6
475.20419	1.0
492.21225	0.7
494.22806	8.1
506.22809	7.3
507.23047	0.6
518.84583	0.3
525.24695	0.5
526.25183	0.9
532.19574	0.3
558.70941	0.4
597.26703	0.5
615.27539	4.6
647.30029	0.5
674.10162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52325	0.2
66.77557	0.2
67.05485	0.4
69.92909	0.9
73.18340	0.2
93.07021	0.2
94.06529	0.7
106.06556	0.4
108.08070	0.5
111.13737	0.2
116.04926	0.3
120.04415	0.4
120.08069	0.5
122.06025	1.8
125.73060	0.3
136.07558	1.0
138.09152	1.4
140.07030	0.6
144.04385	0.4
146.06017	0.9
148.07457	0.6
172.03868	0.5
174.05435	0.3
178.08481	0.4
180.10175	3.0
190.04996	1.5
197.07027	0.3
204.06577	1.3
208.09709	0.4
209.10796	0.3
210.11414	0.5
211.08549	0.3
213.42834	0.2
222.11417	0.6
223.08824	0.6
223.12239	1.5
224.13046	0.8
225.10114	1.2
225.13817	0.3
226.11018	0.4
235.08525	1.5
235.12230	0.5
236.09201	1.4
237.10049	1.9
237.13727	1.9
238.10947	4.0
238.14517	0.6
239.11722	3.5
240.12332	0.3
243.88739	0.3
247.12357	0.4
248.10582	1.4
248.13068	0.6
249.10139	2.3
250.08624	0.5
250.10968	4.4
251.08177	1.0
251.11768	17.0
252.12473	3.3
253.13301	1.4
255.11111	0.3
263.08179	0.3
263.08853	0.4
263.11734	2.9
263.31863	0.3
264.08954	0.3
264.12390	1.0
265.09830	1.4
265.13321	15.6
266.10498	2.1
266.13907	2.0
267.11182	1.0
275.11752	0.5
276.10178	0.7
277.09732	0.8
278.10345	2.6
278.22678	0.3
279.11249	4.4
280.12045	0.6
281.12805	0.7
282.13507	0.3
283.10657	1.0
283.14233	0.6
291.11316	0.5
293.12827	8.4
294.13162	0.3
295.10611	0.4
295.14359	0.5
297.12384	0.5
297.15811	0.4
297.39996	0.2
298.13101	0.8
310.13000	2.3
311.13885	3.2
312.12210	0.7
319.10754	0.4
321.12335	2.0
323.13843	4.7
324.14539	0.9
325.15427	47.3
326.15918	3.5
338.12610	0.7
339.13409	0.5
344.13748	0.5
351.13315	3.7
352.14099	1.3
353.14926	41.6
354.15463	2.8
358.15259	0.5
359.16281	0.3
371.16196	1.6
383.16010	8.0
383.20804	0.5
384.16751	0.5
385.17535	100.0
386.17874	5.2
446.20670	2.1
454.24033	0.3
456.18893	0.3
464.21738	0.4
466.23141	0.3
474.20212	7.8
475.20865	1.0
482.15854	0.6
486.53091	0.3
492.21295	1.1
494.22784	8.2
495.23053	0.4
497.18338	1.4
506.22778	5.6
507.23047	0.5
526.25323	1.7
556.19489	1.5
615.27954	2.9
629.22266	0.5
647.30994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72980	0.8
67.05489	3.3
69.66699	2.2
91.03598	0.9
94.06551	3.6
95.44881	0.8
98.22816	1.2
108.08096	0.8
122.06011	10.1
134.05991	1.5
136.07590	2.1
138.09128	1.7
140.07059	1.3
180.10199	3.9
208.51765	0.8
211.08549	1.1
222.11481	1.8
222.78938	0.9
223.08569	4.1
223.12158	1.2
225.10242	9.2
235.12247	1.8
236.09396	2.2
237.10274	4.4
237.13925	2.1
238.10991	3.6
239.11809	2.6
248.09500	3.6
249.10176	4.8
250.11017	8.5
251.08130	4.4
251.11771	22.6
252.12477	3.8
253.13319	1.1
262.11035	1.1
263.11780	17.2
264.12433	3.9
265.10031	1.8
265.13339	19.5
266.10513	1.5
266.13898	2.6
267.11478	1.2
277.09683	1.7
278.10443	4.1
279.11273	9.1
281.12817	1.2
283.10806	5.2
291.11154	4.3
293.12747	8.7
297.12338	2.2
298.12961	2.1
308.11649	0.9
309.12369	2.1
310.13141	6.3
311.13818	6.8
319.10522	1.4
323.13858	30.0
324.14627	3.9
325.15430	40.8
326.15866	2.2
350.16269	1.1
351.13312	8.2
352.14063	2.7
353.14920	8.8
360.16742	0.9
370.15244	1.4
372.17056	2.4
383.15964	42.0
384.16431	4.7
385.17532	54.1
386.18011	3.6
414.17889	1.3
418.21097	1.0
418.51999	0.9
446.20712	24.2
447.20996	1.1
474.20200	19.8
475.20322	1.0
479.12302	1.1
494.22821	3.1
506.22824	100.0
507.23233	7.3
525.24432	1.6
615.28326	0.9
678.68561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89977	0.5
67.05498	2.9
71.43865	0.5
72.47806	0.5
74.73779	0.4
75.76218	0.5
82.19712	0.4
91.05469	0.6
93.07044	0.8
94.06567	3.5
98.97585	0.6
108.08096	1.1
116.98632	0.9
120.08071	1.2
122.06027	9.3
134.06023	0.8
134.99744	0.5
136.07587	2.6
138.09079	1.2
140.07004	0.9
148.07547	0.9
180.10184	3.4
183.81221	0.5
204.06552	0.7
208.09692	1.3
209.10663	0.7
211.08540	0.5
220.09926	0.6
222.11473	1.6
223.08611	4.8
223.12259	1.6
225.10204	9.2
227.11884	0.9
230.62889	0.5
235.08670	1.7
235.12271	1.4
236.09447	2.3
237.10239	4.4
237.13814	2.4
238.10986	4.1
239.11765	3.0
240.12537	0.6
241.62453	0.5
248.09334	3.0
248.13194	0.5
249.10185	5.5
250.10924	6.9
250.12915	0.5
251.08113	4.2
251.11784	19.7
252.12460	2.4
253.13356	0.7
262.10892	1.0
263.11786	18.7
264.09909	0.5
264.12515	4.0
265.09781	3.2
265.13373	14.6
265.36682	0.5
266.10501	0.8
266.14087	2.2
267.11319	0.8
267.14807	0.5
269.12936	0.8
274.97504	1.1
275.11755	0.6
277.09711	1.3
277.13171	0.7
278.10464	4.5
279.11252	8.4
280.12140	0.8
281.12830	1.5
283.10812	5.8
283.13940	1.0
285.12402	0.8
291.11261	3.5
292.11819	0.7
293.12839	6.6
295.14310	1.1
296.11752	0.7
297.12308	2.5
298.13095	1.7
307.10721	0.8
309.12198	0.9
310.13007	6.1
311.13788	6.7
312.14426	0.9
319.10742	0.7
321.12366	1.6
323.13873	27.8
324.14505	4.0
325.15436	39.4
326.15991	1.9
337.12048	0.5
339.13342	0.8
344.13589	0.9
351.13388	8.2
352.14163	2.4
353.14893	5.6
355.16574	0.7
383.15991	45.5
384.16632	6.3
385.17548	43.7
386.18085	2.6
424.76794	0.5
432.19220	0.7
442.17285	0.7
446.20758	8.4
474.20276	11.0
475.19995	0.6
493.21988	0.6
494.22729	2.0
506.22836	100.0
507.23151	5.7
525.24829	1.0
526.25458	1.0
548.90503	0.6
615.26996	1.5
647.30615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94831	0.6
55.40857	0.5
55.59763	0.5
57.03047	0.6
64.57079	0.5
69.03432	0.9
69.07055	0.9
80.54225	0.6
81.03429	0.7
92.72835	0.6
98.23450	1.2
141.05176	0.6
148.07535	1.1
151.07396	0.5
163.03966	0.8
166.08704	0.7
169.04637	0.6
185.04277	0.9
227.05292	0.9
233.58395	0.7
236.15984	0.5
287.07318	2.2
287.10077	0.6
295.15277	0.8
313.16055	3.6
331.44696	0.5
347.09540	2.1
365.10617	1.9
383.20087	0.7
389.10507	3.9
401.21490	3.7
405.09979	0.6
407.11642	4.8
429.21097	1.4
433.09485	1.5
457.20612	0.9
475.21475	13.4
486.29410	0.6
499.21698	1.1
517.22522	18.1
545.25940	0.7
561.21613	1.3
563.26624	7.4
587.26501	0.9
605.27716	61.9
606.28027	3.7
649.26709	100.0
650.27081	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	649.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05503	0.9
57.03429	0.7
65.03946	0.7
67.05501	3.2
69.03418	4.7
69.07045	0.7
69.79702	2.2
71.04964	0.6
77.03922	0.8
79.05485	1.0
81.03400	1.7
85.02889	1.7
86.28831	0.5
88.88416	0.6
89.03915	6.0
90.90093	0.6
91.05479	8.2
93.07031	7.3
94.06565	3.2
95.04971	3.8
95.08566	0.8
95.59129	0.5
97.02887	8.1
98.22751	0.9
105.04478	1.4
105.07019	0.6
106.06536	0.8
107.08597	1.2
108.08086	1.9
109.02850	0.9
109.06512	0.6
111.08060	5.0
117.02557	1.2
117.03376	19.5
117.07015	1.6
119.08569	1.3
120.08051	1.0
121.06516	1.6
122.06030	6.4
122.09617	1.0
127.03893	0.6
132.04388	0.6
132.08041	1.2
134.03647	0.7
134.06009	2.2
134.09654	4.9
135.04399	1.8
135.08037	2.2
136.07549	7.0
137.05966	1.1
138.09137	1.2
140.03432	0.7
140.07007	0.9
144.08115	0.9
145.02840	48.8
146.03139	1.1
146.05954	1.0
146.09685	0.7
147.06656	0.7
147.11700	0.9
148.07558	0.8
149.05975	6.5
150.03703	1.8
150.09114	1.9
152.10721	3.3
154.04999	1.1
154.08612	0.8
159.09137	0.8
162.03754	0.9
162.09135	33.4
163.03889	5.1
163.07521	2.2
164.07057	1.7
166.08615	3.8
170.09697	0.6
171.09164	0.9
172.07539	1.4
173.10783	1.6
174.09158	1.3
175.06374	1.1
177.02402	2.9
177.05461	100.0
178.03207	31.2
178.05521	3.1
180.10187	27.0
181.04857	0.7
186.05424	0.9
186.09206	1.2
187.08643	2.5
188.09311	0.9
189.10260	1.4
190.03210	15.5
190.08549	4.3
195.06546	2.5
197.10773	0.7
198.09155	1.0
199.08676	2.5
200.10794	1.0
201.06535	1.1
201.10226	7.9
202.11018	0.6
203.11845	0.8
207.13918	0.7
208.04263	71.5
208.09668	53.0
209.04817	2.9
209.09990	1.0
210.05852	2.3
212.09312	0.9
213.06590	0.8
213.10245	3.1
214.11028	1.1
215.08142	8.1
215.11703	4.7
216.08890	5.1
218.11656	0.8
220.09843	0.8
225.10283	1.7
226.08650	1.4
227.08099	5.7
227.11815	1.7
228.10339	1.0
229.09752	6.9
230.10457	0.7
231.11273	1.5
233.12860	2.1
236.03746	2.4
239.11861	1.0
241.09723	5.0
242.10518	0.8
243.11302	7.4
244.12088	2.6
245.09239	0.8
245.12798	3.5
246.07635	1.1
247.10788	2.6
253.09692	2.1
254.04822	6.7
255.11292	1.4
257.09125	0.8
259.10785	20.4
260.11322	1.2
261.12317	12.1
263.11768	1.0
265.06433	4.2
265.09164	0.8
267.11343	2.2
269.09256	2.8
269.13058	0.7
271.10770	5.9
280.86185	0.5
281.09744	0.7
283.10699	1.5
285.12466	1.6
287.10251	25.1
287.13605	1.6
288.10999	2.7
289.11816	28.7
293.06064	0.9
293.12769	0.6
295.10989	1.2
303.13535	0.7
309.12320	1.8
311.06934	72.7
312.07346	2.5
313.11728	3.9
315.13446	1.0
319.12881	33.4
320.13611	2.4
321.10330	1.2
321.14462	16.4
323.10214	0.8
327.13608	0.8
337.11148	0.7
339.10608	15.6
341.11340	1.4
343.12921	1.1
345.14340	1.8
347.16119	1.2
355.12784	1.0
357.14679	0.9
366.18100	1.6
369.14459	1.6
371.12186	1.3
371.16214	1.2
373.14120	2.1
375.15161	0.7
387.15604	1.0
410.17072	13.0
432.19186	1.0
442.19727	79.5
443.20132	2.8
450.19839	0.8
460.18951	1.9
468.21359	0.8
476.18222	1.7
478.19769	2.6
484.20563	0.8
492.21188	2.3
494.19305	2.0
496.20853	1.5
508.20773	1.6
509.20584	1.1
510.22195	1.9
526.21851	2.6
528.23627	0.8
599.25244	1.5
617.25995	5.1
631.27673	3.3
649.28503	10.9
650.26971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01109	3.1
67.05498	0.7
69.03412	0.7
71.04981	1.1
71.42722	0.6
71.73502	0.6
73.02914	1.7
73.04755	6.4
73.06540	1.8
75.02671	0.9
77.00597	28.2
79.02158	2.6
81.33241	0.6
87.04453	2.3
89.06024	17.5
91.05270	1.1
91.05792	15.2
93.03745	1.2
95.01634	92.7
96.99562	0.8
97.02028	0.7
99.02615	1.2
103.02142	1.6
105.07041	0.8
113.02668	3.3
114.07337	1.3
117.03683	1.5
117.07335	5.2
117.09126	1.6
117.23443	0.7
118.03188	6.8
118.28473	0.6
119.01618	3.9
121.03166	9.7
121.10075	0.7
133.08559	5.3
135.04745	0.7
145.06786	17.7
146.09576	0.6
147.04704	100.0
148.04770	1.2
159.10106	0.6
161.09898	3.1
161.11865	0.6
165.05775	16.4
167.05554	1.4
169.03432	3.0
177.11188	1.2
188.07333	1.3
189.09398	9.1
191.07321	33.7
192.07663	0.7
195.05000	0.8
221.08398	0.8
233.12030	2.0
235.09930	10.1
239.09457	14.9
265.11075	0.8
277.14844	0.8
279.12534	2.2
309.13663	1.0
314.15308	0.6
453.25018	5.1
528.55682	0.6
575.20233	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	651.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96912	0.3
69.07069	0.4
71.44051	0.4
79.81362	0.3
86.09697	100.0
86.30434	0.2
87.10041	0.8
93.07045	0.3
132.10191	4.0
167.06914	0.3
177.05424	0.4
196.17641	0.3
199.18021	1.6
217.10776	0.3
227.17531	0.5
245.18581	54.3
246.18915	1.2
261.00323	0.3
598.71967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80334	0.3
55.01868	0.8
55.05502	0.7
57.03428	3.1
59.05014	0.4
61.02917	2.2
69.03423	5.8
70.06601	0.3
71.01341	1.1
71.04986	6.6
73.02913	13.8
75.04466	0.8
81.03387	1.3
83.04974	3.6
85.02899	14.1
87.00807	0.3
87.04450	0.7
89.03906	2.3
97.02888	8.6
98.97596	1.3
99.04425	1.1
101.02378	0.5
103.03925	0.3
109.02889	0.7
111.04427	2.6
115.03928	3.0
116.98632	0.6
117.03368	7.4
117.74789	0.3
121.06525	0.3
127.03888	1.1
129.05457	3.7
130.04984	0.3
133.04918	1.8
133.06520	0.4
134.03555	0.5
135.04401	0.7
139.03893	0.3
145.02837	33.5
146.03200	0.6
147.06447	1.5
149.05965	3.3
153.05466	0.4
158.99632	1.2
160.27811	0.3
162.03140	0.3
162.99461	0.3
163.03874	1.6
169.04953	0.5
175.06007	0.4
177.00879	1.4
177.05450	100.0
178.05806	2.5
183.06535	0.3
186.05457	0.3
195.06509	4.3
207.06468	0.3
219.01717	0.3
220.01833	0.3
225.07558	0.9
243.08488	0.6
261.09689	0.6
279.08347	0.3
305.10419	0.4
309.09579	0.7
321.09610	1.0
323.11191	0.6
339.10712	28.6
340.10983	0.9
411.09485	0.3
412.10300	0.3
489.06641	0.3
532.14117	1.3
562.80255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17410	0.8
71.26833	0.8
98.22613	1.5
120.08091	1.0
127.64388	1.0
178.32327	0.8
197.10754	0.8
203.89151	0.8
206.01994	1.0
209.10747	1.8
210.11513	1.2
221.10750	1.6
222.11525	1.1
223.12262	2.3
225.10240	1.0
225.13815	4.7
226.14558	1.4
235.12257	1.7
237.13882	2.3
249.10178	0.8
249.13803	2.0
251.11774	1.6
277.09741	1.0
292.65756	1.1
337.11697	1.4
351.13785	1.1
352.14487	1.7
366.16052	1.3
401.17844	1.3
403.19629	1.1
414.14484	1.1
415.15131	1.9
416.15860	1.3
417.16736	1.2
417.21432	1.3
429.17004	2.0
430.17740	1.1
431.17624	4.3
431.23462	1.4
443.18756	2.5
444.19641	1.9
445.20062	3.3
446.20938	2.0
447.21597	3.0
454.17697	1.2
457.16101	1.2
458.21243	1.7
459.21664	3.6
460.22507	1.7
472.18478	1.3
474.20612	1.3
475.20938	2.7
487.21396	6.8
488.21878	2.1
501.22781	2.3
503.20743	1.2
515.20850	1.8
519.23505	2.1
521.25470	1.3
529.22156	2.7
532.24152	1.8
533.25220	3.9
534.22412	2.1
547.22955	2.1
561.24951	97.0
562.24969	5.3
581.24847	1.0
589.24323	8.4
592.26355	5.9
593.31201	1.4
621.27020	100.0
622.27185	6.4
637.30090	1.5
653.33295	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45878	1.1
61.81917	0.9
69.15154	7.4
99.39048	1.1
112.79365	1.0
120.08112	1.4
141.37682	1.0
209.10680	1.2
210.11429	1.5
211.08440	1.1
211.12201	1.1
220.10020	1.2
223.12253	2.0
225.13808	3.9
237.10175	1.1
237.13812	2.1
249.10236	1.9
249.13908	1.9
277.09631	1.9
310.52151	1.2
349.44022	1.2
366.15909	2.1
401.17557	1.3
415.15317	1.8
416.20203	1.7
417.21133	2.1
429.17062	2.1
430.17807	2.6
431.18610	3.2
443.19080	1.9
444.19336	1.7
445.20108	3.4
446.20505	1.5
447.21774	3.0
453.75479	1.1
457.15991	1.3
459.22589	5.2
460.22723	1.9
471.18158	1.4
475.21194	1.7
487.21356	8.4
501.22733	2.9
515.20660	1.8
519.23987	2.3
529.21960	2.1
533.25171	3.9
534.22888	2.2
535.23309	1.4
547.23474	1.4
561.24915	100.0
562.25275	6.3
589.24194	7.3
621.26959	90.4
621.35614	1.4
622.27313	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	654.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	0.9
55.05500	0.9
57.03435	3.0
57.57999	0.4
61.02910	0.7
65.66946	0.4
67.98737	0.4
69.03417	3.3
70.13393	1.3
71.01337	1.1
71.04997	7.5
73.02909	3.0
75.04454	1.0
79.05476	0.4
81.03410	1.6
81.83171	0.4
83.04977	5.0
83.78303	0.4
85.02901	23.5
87.00819	0.6
87.04482	0.9
89.03913	1.4
95.04959	0.6
97.02888	6.6
99.04458	1.7
103.03928	2.3
107.04945	0.8
109.02848	0.8
111.04440	4.8
113.02353	2.1
115.03912	1.0
117.03365	3.1
125.05984	0.6
127.03884	1.3
129.05457	4.8
131.03391	4.7
132.59091	0.4
133.02849	0.5
135.04405	6.0
139.03876	0.6
145.02840	6.6
145.04994	0.4
147.06503	3.9
151.03915	0.6
153.05457	0.6
157.04951	1.1
162.02159	0.4
163.03893	100.0
164.04199	1.6
171.06512	0.6
175.06012	1.2
181.04968	3.8
183.06497	0.4
208.58798	0.4
213.07547	0.6
225.07501	0.5
241.07091	0.8
259.08072	2.2
277.09070	1.0
307.08008	1.2
325.09155	24.5
326.09598	0.9
512.71851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39490	0.6
53.03931	3.0
53.70001	0.7
55.01868	4.7
57.03425	2.1
61.02913	1.9
65.03921	0.9
67.05515	0.6
68.99758	1.1
69.03420	9.9
70.06579	1.6
71.05004	1.1
73.02903	2.3
78.04711	1.3
79.05486	5.1
81.03410	12.3
81.07043	2.1
85.02407	1.2
85.02901	21.2
87.00835	9.8
89.89620	0.6
91.05479	7.7
93.07058	0.9
95.04956	2.2
97.02889	10.0
99.04447	5.0
103.05449	3.4
104.06226	1.4
105.01864	5.6
105.07018	13.3
107.04955	8.2
107.08591	0.9
108.04495	1.8
109.02869	10.4
115.05446	7.8
117.01845	1.7
117.03357	0.8
117.07005	5.7
118.04153	1.7
119.08562	7.7
121.06480	1.2
122.03611	1.4
123.04411	3.6
124.05180	1.9
125.05939	0.8
127.03918	13.8
128.06194	3.8
129.01831	1.7
129.07005	6.3
131.04926	4.6
131.08662	0.9
132.05702	6.4
133.06471	12.5
134.03625	0.8
137.05962	18.9
141.06967	2.4
143.04915	2.2
143.05952	0.8
144.05643	1.4
145.02867	0.8
145.04932	6.0
145.06485	6.7
147.02930	0.8
147.04349	1.6
147.08037	9.3
148.05194	1.4
149.05974	1.1
151.03925	1.0
152.04666	1.8
153.05553	0.9
153.11598	0.8
155.04845	0.8
155.06015	1.6
156.05724	1.4
157.06512	2.0
159.02908	6.2
159.04175	1.2
159.08015	4.0
160.05176	8.7
161.05975	13.9
163.03908	2.6
163.07518	3.2
167.07024	62.2
168.07396	0.9
169.06436	4.1
172.05147	2.0
173.05974	9.7
174.06691	1.4
175.07532	100.0
176.04665	0.9
176.07837	2.0
177.05447	2.4
179.06995	1.0
181.08432	0.9
184.05296	0.8
187.07545	15.7
189.09120	3.2
190.06267	4.2
191.07001	6.6
193.08592	47.9
194.08920	1.3
199.07515	5.0
201.09103	4.9
203.06821	1.4
203.08655	1.2
205.08577	20.7
205.10445	1.3
215.08617	1.6
217.06613	1.4
217.08549	9.2
218.07207	2.6
219.08069	1.5
219.10107	2.3
221.09608	2.1
223.09700	0.8
231.04910	2.7
231.08031	1.4
233.09599	3.0
234.06708	1.4
235.07457	2.1
235.09552	10.3
245.05978	0.8
246.06693	1.6
247.07443	1.3
247.09749	2.2
248.08128	1.2
249.09085	2.2
250.09836	1.0
251.06987	0.8
252.07779	1.0
260.08337	1.5
261.09161	5.1
263.07074	1.9
265.08386	1.1
265.10690	7.2
266.09402	0.8
274.06238	0.9
276.07840	0.9
277.08569	2.6
278.09357	2.4
281.11676	3.3
285.07581	1.6
289.08475	4.0
290.09241	1.5
291.06775	0.7
291.10104	2.1
293.07724	0.8
293.11664	2.3
294.08908	1.3
300.09930	2.2
301.10587	2.1
303.10022	0.9
306.08789	1.3
307.09634	1.4
309.11124	4.3
313.03763	0.7
321.11200	7.4
322.11804	1.7
326.11356	1.2
338.11331	1.1
339.12225	1.1
341.13788	14.3
343.15149	1.5
347.94766	0.8
352.45847	0.8
353.13794	22.9
355.15399	14.3
365.13766	1.0
371.14932	10.6
437.21335	0.8
473.49606	0.8
519.10461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01874	3.2
57.03436	1.2
58.03345	0.9
63.52820	0.9
67.05521	0.9
68.99783	1.2
69.03424	10.3
69.65468	2.7
70.06585	1.2
71.05007	1.3
73.02907	2.6
73.49154	0.8
74.84769	0.9
79.05499	5.5
81.03415	15.2
85.02900	23.1
87.00827	11.0
90.74667	1.0
91.05462	5.5
92.35681	0.9
92.65089	0.9
93.19741	0.9
95.04978	1.6
95.08598	1.1
97.02888	10.3
99.04462	3.7
103.05481	4.1
105.01875	6.7
105.07030	14.0
107.04951	8.9
109.02883	10.3
115.03931	1.0
115.05452	8.6
117.07010	5.6
119.04946	1.2
119.08589	5.9
121.06471	0.9
122.03658	1.2
123.04434	3.5
124.05221	3.3
127.03927	14.5
128.06238	3.9
129.01868	1.9
129.07002	5.9
131.04921	4.9
131.08578	1.4
132.05688	5.8
133.06477	10.4
137.05969	20.7
141.07001	2.4
143.04967	2.6
144.05652	1.1
145.04985	5.8
145.06477	8.7
147.08057	9.0
149.06059	1.2
151.07565	1.2
152.04715	1.6
155.06007	1.5
157.06520	3.4
159.02847	5.4
159.08044	3.8
160.05194	7.5
161.05983	11.5
163.04008	1.1
163.07555	3.6
167.07031	60.9
169.06447	3.1
171.08020	1.0
172.05186	1.9
173.05968	13.0
174.06862	1.2
175.07536	100.0
176.07903	2.2
177.05455	2.6
181.05042	1.0
184.05144	1.1
185.55994	1.0
186.06757	1.2
187.07526	14.7
189.09120	4.7
190.06149	4.4
191.06944	6.5
193.08592	52.2
194.08995	1.4
199.07512	6.6
201.09102	3.8
203.06985	2.0
205.08582	23.8
205.10410	1.8
206.07138	1.1
217.08556	13.5
218.07286	2.7
221.09676	1.9
231.05022	3.6
233.09583	3.1
234.06761	2.3
235.07545	1.3
235.09608	11.3
246.06812	1.2
247.09683	2.4
249.09090	1.3
250.09749	1.2
259.07513	1.7
261.09094	4.3
263.07047	1.7
265.08395	1.5
265.10773	10.9
277.08548	2.1
278.09479	2.2
281.11755	3.2
289.08630	4.6
291.10083	1.1
293.11737	2.5
294.09076	1.1
300.09940	3.0
306.08807	1.6
307.09702	2.3
309.11227	3.2
321.11090	8.5
322.11813	1.3
323.08658	1.3
326.11313	1.5
341.13821	12.4
353.13803	24.1
355.15356	12.2
356.15701	1.4
369.41718	1.1
371.14908	11.6
407.94016	1.1
529.17920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48719	2.7
53.03934	2.9
55.01855	2.9
55.83638	2.4
57.03429	6.0
67.80978	2.3
68.17384	2.1
68.84704	2.1
69.03426	20.4
69.07062	4.0
69.84172	8.4
71.04994	7.8
73.02908	4.7
76.07411	2.3
76.80791	2.2
81.03419	15.0
81.07034	6.3
83.04991	8.0
83.08620	3.8
85.02897	55.5
87.00813	22.6
91.05476	4.2
93.07040	9.1
93.91087	2.8
95.08628	2.6
97.02879	26.5
97.06542	5.4
98.23391	3.5
99.04459	9.5
105.01857	37.6
105.07022	4.8
107.08601	13.9
109.02870	13.8
109.10188	6.9
121.06537	3.9
121.10162	10.6
123.08070	10.3
124.00074	2.2
127.03909	37.1
129.05357	2.3
131.08551	4.2
133.10126	27.3
135.04437	9.9
135.07971	2.8
135.11705	5.9
136.07565	3.2
139.11189	3.4
145.02853	8.7
145.04927	11.3
147.11694	8.8
149.13266	4.3
151.06346	12.1
151.07451	4.2
151.11188	3.2
152.07027	2.8
153.08992	2.8
159.02927	4.6
161.77571	2.2
163.03891	87.6
163.14890	5.5
164.04288	6.8
164.07079	7.0
166.08618	14.6
173.13199	15.7
180.10262	2.4
182.08090	2.8
183.08986	2.8
184.09677	71.1
184.11258	5.0
190.08612	12.4
191.14294	24.1
196.09637	2.9
208.09680	7.6
209.15340	100.0
210.15738	3.4
227.16379	20.8
231.05011	16.4
232.09650	4.6
249.06108	7.7
250.10718	6.6
269.17453	2.7
271.08313	2.8
292.11853	3.1
312.14410	5.3
320.99683	2.7
325.09076	14.1
330.15479	8.3
508.17609	3.2
600.94745	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	654.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98722	1.0
53.03952	5.2
53.88852	1.1
55.01646	1.0
55.01862	5.8
55.05510	1.8
57.03432	5.8
59.04993	0.9
61.02921	7.6
67.05502	3.3
68.99799	2.0
69.03426	37.7
69.07056	2.4
69.50306	3.2
69.50707	1.7
71.04977	8.4
73.02914	5.3
79.05487	3.2
81.03413	24.7
81.07051	9.3
82.78178	0.9
83.04974	8.6
83.08591	1.6
85.02899	95.4
85.06531	1.3
87.00822	47.3
87.04506	1.4
91.03988	1.7
91.05478	5.3
93.07051	12.6
95.04964	1.6
95.08592	6.3
97.02888	46.5
97.06526	4.4
98.23417	1.5
99.04449	19.6
99.08095	1.8
101.02370	1.1
101.06019	3.5
105.01859	94.6
105.07024	11.1
107.08587	17.8
109.02869	41.1
109.06530	3.4
109.10122	9.3
109.96823	1.1
111.08067	2.7
113.28778	1.0
115.03918	1.4
117.01854	1.5
117.07013	1.5
119.08550	5.7
121.06501	1.7
121.10144	11.8
123.08067	6.9
123.11691	2.6
127.03906	100.0
127.07581	1.5
128.04327	1.5
129.01881	2.5
131.08556	9.4
133.10120	49.8
135.08049	12.9
135.11684	8.9
137.09604	1.5
137.13266	1.7
139.11157	4.7
145.04945	45.3
145.10120	3.7
147.02875	2.6
147.11659	12.2
149.09721	1.6
149.13239	9.6
151.11165	6.9
153.09073	1.1
158.10889	2.0
159.02885	12.0
163.03908	2.1
163.14769	7.6
165.04340	1.3
165.12721	3.5
167.14264	1.5
173.13240	21.0
174.13702	1.1
175.89894	1.0
177.05402	1.3
177.60757	1.1
189.03925	3.7
191.14290	30.0
209.15355	65.6
210.15732	2.0
213.03932	11.0
227.16380	14.2
231.04985	42.8
249.06030	23.5
253.07060	3.8
271.08115	3.6
357.08060	1.3
375.08994	1.2
393.10226	3.5
410.33865	1.4
490.46057	1.1
583.92847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01858	1.0
57.03425	3.1
61.02900	2.5
67.05495	2.8
68.99789	1.2
69.03423	11.0
69.07056	1.8
70.95258	1.1
70.95587	0.9
71.04973	2.7
73.02902	1.0
81.03410	7.5
81.07047	7.1
83.04963	1.1
83.08596	1.0
85.02898	31.9
87.00823	14.3
91.05455	2.1
93.07039	11.4
95.04949	1.4
95.08598	7.5
97.02888	10.8
97.06547	1.7
97.10153	1.1
99.04428	4.0
105.01858	19.3
105.07010	4.5
107.08592	6.0
109.02867	11.1
109.06497	3.6
109.10159	6.6
119.08570	4.5
121.10131	3.1
123.08051	4.6
123.11687	3.8
127.03907	19.5
129.01877	1.5
131.08614	2.1
133.10129	9.3
135.11671	1.2
139.11192	4.2
145.04929	6.6
147.02823	1.0
147.11693	4.2
149.09613	1.3
149.13222	3.3
151.11166	100.0
152.11496	2.6
153.05417	1.0
159.02844	2.9
161.13268	9.9
163.03923	2.4
163.14713	1.4
165.12714	3.5
173.13249	2.4
179.14281	3.8
183.13670	1.0
191.14294	8.8
200.55199	0.9
207.13844	1.4
209.15352	38.5
213.03944	1.9
225.14897	1.6
227.16405	19.3
231.04977	7.5
249.06041	2.6
269.17542	1.2
337.78363	0.9
354.99289	0.9
439.19421	1.1
457.20432	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	654.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
56.05022	0.6
57.03411	1.3
57.07052	0.5
67.05499	5.2
69.07046	1.9
70.06565	0.8
72.10970	0.4
79.05480	4.8
81.07047	6.6
82.06554	1.7
83.08575	1.3
91.05477	2.8
93.07040	5.5
93.16927	0.5
94.06542	1.0
95.08603	4.2
96.08130	1.1
104.10714	0.9
105.07015	1.8
106.06525	1.8
107.07334	5.7
107.08562	2.9
108.08131	6.5
109.10161	1.1
110.09627	0.9
117.07014	0.7
119.08569	1.4
120.08079	0.9
121.08837	0.7
121.10106	1.1
122.09637	1.8
123.10413	0.8
124.11258	2.3
124.99978	1.8
131.08539	0.7
133.10123	1.5
134.09631	7.8
135.10425	36.4
135.11591	2.0
136.11275	2.3
137.12035	0.6
137.13280	0.5
148.11209	1.5
149.12018	3.4
149.13156	0.8
150.12776	3.8
151.13503	0.6
152.14357	3.0
161.13185	0.6
167.09402	0.6
168.04161	0.6
176.14326	1.0
178.15891	47.9
179.16216	0.7
180.17461	13.3
196.16928	2.6
217.04454	0.5
222.08838	1.4
222.18510	5.5
224.62051	0.5
238.78606	0.4
240.19525	1.8
276.13568	75.9
277.13882	1.1
278.15085	1.4
320.16174	100.0
321.16486	1.7
335.25821	4.9
512.25806	0.5
523.17169	0.6
577.25537	0.6
592.37134	1.3
604.19781	0.5
610.38721	3.0
636.39636	1.6
643.43262	0.5
654.30499	0.7
654.40967	5.4
655.27551	2.2
655.41174	0.8
663.34283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2762
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
57.03432	0.6
67.05511	1.8
69.11858	2.1
69.12286	1.6
79.05505	0.6
81.07056	1.8
91.05476	1.7
93.07029	1.1
95.05006	1.3
95.12608	0.5
98.23521	1.0
101.13920	0.6
105.07045	0.9
107.08556	0.6
109.06525	1.1
119.08578	1.4
131.08627	0.7
135.08086	1.3
144.04387	0.6
260.36139	0.6
273.18469	0.8
283.10837	0.6
291.19565	1.0
299.14273	0.5
377.17667	0.9
390.18771	0.7
391.15085	1.2
391.19272	2.3
392.20264	1.1
393.21011	1.3
403.19321	0.9
404.16061	1.3
405.16403	3.0
405.21518	1.3
406.21774	1.0
407.22543	4.1
408.22833	0.8
419.18430	6.2
420.19376	1.8
421.20306	2.3
432.19849	0.8
433.20480	11.8
434.21112	6.3
435.21854	7.7
445.20261	0.7
447.18036	2.1
447.22711	1.0
449.19818	1.9
450.20096	0.8
461.19479	1.3
462.20642	3.8
463.21249	3.6
465.19238	1.6
475.21750	0.9
479.20334	1.2
489.22910	0.8
490.19730	1.1
491.20773	1.5
493.22192	1.4
505.21872	0.7
507.24203	0.8
517.22327	0.7
520.25000	1.3
521.25659	9.9
549.24915	13.3
550.25568	0.6
552.24097	1.0
563.22992	0.7
565.24481	1.9
577.24359	10.7
578.24786	1.1
579.22333	0.7
580.26636	1.1
581.27582	1.9
595.25629	4.5
605.23877	1.1
609.26752	4.0
623.25122	1.0
637.16125	0.5
637.26593	11.0
655.27600	100.0
656.27606	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	655.2763
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
61.22749	1.1
65.87990	1.3
67.05492	3.7
69.07049	2.6
69.32903	2.0
69.33321	6.7
79.05471	3.2
81.07053	3.1
91.05470	3.7
93.07046	2.8
95.08613	1.5
97.12492	1.1
98.22721	2.8
105.07024	2.3
106.82434	1.2
109.10116	2.3
112.44083	1.4
117.07048	1.5
118.06495	1.6
119.08549	2.0
133.10165	1.6
145.10019	1.9
166.08731	1.3
175.93834	1.3
184.30206	1.3
197.10757	1.2
207.09140	1.4
221.10593	3.2
222.11389	1.4
223.12277	4.1
237.13843	2.4
238.14603	2.7
239.15567	1.8
247.12305	2.3
249.13777	2.2
251.15416	2.5
261.13916	1.3
273.18579	1.5
293.09207	1.3
293.12537	1.4
302.17410	4.4
303.17871	1.5
312.15195	1.5
320.15643	1.8
324.15091	2.0
328.18036	3.1
340.18298	1.8
342.19522	1.6
343.20346	1.6
353.18909	2.0
357.18411	1.7
370.19254	1.3
386.18320	2.0
386.22849	2.0
393.41574	1.4
396.17032	3.8
412.20135	5.1
414.17770	2.3
415.19073	1.9
419.18451	1.5
430.21310	21.3
435.21344	2.2
448.18109	1.5
462.20230	1.6
463.20947	1.7
475.21472	1.6
487.20953	3.5
489.18896	3.0
499.21161	2.0
502.21542	1.8
503.20633	4.6
519.23590	4.0
521.21497	1.8
529.23267	2.7
530.21588	1.7
531.19891	2.2
535.23456	1.8
547.23706	7.3
548.21454	4.6
551.25818	2.6
562.22528	1.9
563.22357	2.6
573.20886	3.4
576.19501	2.3
579.26385	6.2
591.22327	39.0
592.21985	3.1
594.25922	7.8
595.26819	1.4
605.23920	9.0
606.22906	5.8
611.28351	2.8
623.24963	100.0
624.25000	6.3
637.26434	20.6
638.25555	2.7
654.42914	2.1
655.27979	22.6
655.39581	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	655.2759
Annotation	Karajinone A
Peak:m/z	Relative Intensity
51.72884	0.9
55.05480	1.6
57.07066	1.9
57.59449	0.9
67.05505	1.2
70.61197	1.7
83.04971	6.5
91.05509	2.0
93.07082	1.1
128.60872	1.1
157.07498	1.3
171.09111	1.6
172.57065	0.9
175.01564	4.7
181.02609	4.8
201.49319	1.0
207.09103	1.1
209.10652	1.3
210.11421	1.1
221.10657	1.4
222.11407	1.2
223.12309	3.5
224.13167	2.5
225.13860	3.4
227.04805	1.5
231.07837	1.2
235.12337	2.8
236.12971	3.0
237.13800	6.7
238.14693	3.5
239.04587	1.0
239.15361	1.8
246.11534	1.6
247.12445	1.0
249.13855	3.6
251.15500	6.9
252.16235	1.1
253.17007	3.9
261.13898	7.9
262.14447	3.0
275.15106	1.4
279.15005	1.9
313.11951	3.3
338.16211	1.3
340.18091	1.6
352.17801	1.8
353.17725	1.7
366.19226	2.5
367.19293	4.3
369.18024	1.0
377.17661	4.5
378.18793	1.7
379.15164	1.3
379.19254	2.7
380.16193	1.5
383.22134	1.7
391.19577	2.5
393.20895	2.8
394.17715	1.4
395.18497	4.1
400.20215	1.3
405.17050	1.8
407.18539	3.3
409.20099	2.1
420.19299	1.9
421.20142	3.7
422.21301	2.0
423.17703	1.8
424.19946	1.3
425.19492	1.5
429.17557	1.2
435.18008	3.8
437.19702	3.1
438.20901	2.0
439.21085	2.8
448.18835	2.7
449.19589	3.4
450.20633	3.4
451.21640	1.5
453.22815	1.8
454.24094	1.9
461.19595	1.3
463.21268	1.9
465.18735	7.2
466.19302	1.9
467.20438	1.7
469.26340	2.0
475.21271	1.1
476.18381	3.1
477.18542	1.4
479.24338	3.2
480.21313	2.2
481.22266	2.7
482.23065	3.1
483.19717	2.0
492.21448	1.5
493.22556	1.3
497.25580	7.9
498.25211	1.4
507.23541	5.6
508.21439	4.1
509.21713	1.9
510.22513	3.6
511.23029	1.7
514.25739	6.1
524.23981	1.8
525.25104	8.9
526.24988	1.3
529.28528	6.7
535.23145	2.7
536.23212	1.6
541.27802	2.2
542.25061	2.4
543.18744	1.1
552.23535	1.6
553.24408	5.3
557.27173	3.7
563.22723	2.1
567.25848	6.4
569.26953	1.8
581.23547	4.5
585.27124	22.0
586.27649	1.2
591.21936	1.1
595.25458	100.0
596.25677	6.3
599.25305	5.8
609.27783	1.4
613.26514	92.1
614.26770	7.1
623.24530	4.3
655.30133	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	655.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21802	1.3
55.05500	2.0
57.03430	1.4
67.05499	4.2
71.43510	1.2
79.05512	1.3
81.07056	2.2
84.31110	1.4
90.72626	1.1
91.05493	2.9
93.07042	3.2
95.08604	1.6
95.21023	1.1
107.04996	1.4
107.07343	1.7
107.08569	1.7
108.08125	1.1
109.06472	1.4
109.96588	1.2
119.08622	2.1
135.10416	5.3
146.06001	2.2
159.11716	1.3
172.04015	2.1
178.15929	3.5
180.17380	1.9
195.09247	2.0
196.06039	1.7
196.09825	1.6
196.16861	1.6
197.10747	2.0
204.06531	1.7
207.09161	1.7
209.10759	2.2
210.11502	3.6
211.08653	1.7
211.12248	3.5
212.09406	2.2
221.10649	2.0
222.07886	1.3
223.08632	1.9
223.12253	1.4
224.09332	1.8
225.10223	5.2
225.13879	5.4
226.10956	1.3
227.11766	1.9
229.95654	1.3
235.08621	4.1
236.09401	1.9
237.10226	4.5
238.11018	3.8
239.11781	5.5
240.12581	3.8
241.13426	3.6
249.10213	9.8
251.08281	2.8
251.11742	8.5
252.12480	1.7
253.13322	23.4
255.14824	3.3
263.08112	1.6
263.11893	1.2
274.52890	1.3
276.13690	2.1
277.09647	9.2
279.11322	5.0
288.11472	1.5
290.12888	1.4
300.11523	1.7
302.13092	1.5
305.09125	2.2
307.10751	1.9
311.10223	1.3
315.13727	1.4
316.14392	2.3
323.10162	9.7
326.12949	2.6
327.13614	1.8
328.14285	2.5
340.10638	1.7
349.08405	1.9
354.12146	2.1
360.16861	1.7
368.13669	2.0
369.14713	2.4
381.10938	2.4
384.17004	2.7
386.18683	5.2
388.16595	3.2
397.14108	4.5
412.11563	2.0
412.16525	22.8
413.16956	1.9
414.14365	5.6
417.17261	1.7
418.14026	2.6
419.18741	3.9
424.93909	1.4
429.16776	1.6
430.17523	2.1
431.14868	4.0
432.15793	5.3
433.16373	4.2
444.19220	22.9
445.12097	1.9
446.17542	1.9
447.17944	10.5
448.18597	1.9
459.18781	3.0
461.20517	8.0
462.20615	7.0
463.20700	1.6
474.17188	1.4
475.16385	6.2
476.21762	4.4
488.18088	1.6
489.18536	3.6
490.20004	2.7
491.24710	2.3
495.23373	1.3
501.21332	1.3
503.20584	3.9
505.18784	2.3
517.22668	2.7
519.23657	5.0
520.21368	2.0
529.22351	2.5
531.20129	3.6
533.18384	2.3
534.18512	2.0
535.23615	10.7
545.21936	8.1
547.23486	9.0
549.21527	4.6
550.22150	1.7
561.24707	1.6
563.22858	70.4
564.22949	4.7
573.21313	5.6
577.24310	4.1
579.25995	6.8
581.23682	3.6
591.22339	61.7
592.22278	3.5
595.25262	3.7
605.23767	13.7
609.23242	4.1
623.24951	100.0
624.25330	6.7
637.25934	2.6
637.40295	1.7
655.27728	18.8
655.39673	3.8
656.27893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Cryptophycin 327
Peak:m/z	Relative Intensity
52.67700	0.4
81.07059	0.6
93.07020	0.6
94.06576	0.5
108.25152	0.5
113.37944	0.5
128.71535	0.4
136.53474	0.5
199.33604	0.5
225.10295	0.9
228.06897	0.5
246.63409	0.5
269.46744	0.6
283.37244	0.6
288.41556	0.5
377.17703	1.1
379.19290	0.9
391.19547	1.1
393.20956	2.3
405.17267	2.2
406.17679	0.8
407.18341	2.5
409.20236	0.5
417.16928	0.7
419.18573	3.3
420.19507	1.9
421.20120	5.0
422.21152	1.0
433.15707	0.8
433.20657	1.6
434.21213	1.0
435.17633	3.5
435.23276	0.6
437.19583	0.5
444.19376	0.7
447.18408	1.7
448.19153	1.4
449.19522	3.2
450.20505	1.6
461.20047	1.0
462.20743	1.2
463.16833	4.2
471.00781	0.6
473.19873	1.4
474.20523	0.6
475.21454	1.5
477.19379	2.0
478.20197	1.4
481.22385	1.1
491.20657	0.8
492.21783	0.6
493.22598	1.5
495.21432	0.6
503.20602	0.8
507.24399	4.1
508.21280	0.6
509.20636	1.0
521.21698	3.0
535.23486	3.8
549.23291	2.2
559.23535	1.3
563.22711	0.9
567.26038	5.0
577.24738	3.3
581.24170	1.9
595.25452	8.2
596.25946	0.6
609.23578	1.0
619.25232	0.6
623.24841	1.0
627.28192	2.8
637.25269	0.7
655.27600	100.0
656.27899	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	655.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05500	3.9
55.36214	2.1
67.05487	4.1
69.55581	2.4
79.05458	2.5
81.07053	4.5
87.89445	2.2
90.02259	2.2
91.05502	2.3
93.07052	3.7
105.07002	3.3
117.07067	3.1
131.08589	3.0
159.11642	2.3
178.15820	4.5
202.15892	3.4
221.10921	2.9
231.75534	2.6
254.59302	2.5
261.13757	3.0
276.13544	3.9
320.16269	4.3
401.17612	2.5
402.18234	2.5
405.20709	3.7
427.19388	3.0
430.17764	4.7
431.18759	8.8
443.18518	3.6
444.19315	5.1
445.20270	16.0
446.21008	4.4
447.17355	3.4
447.22668	3.2
449.23227	3.7
459.21881	5.6
460.22696	24.3
461.19580	3.7
462.20465	5.4
472.22336	3.7
473.23520	21.6
474.24310	5.9
475.25537	12.2
476.21613	6.6
477.22678	5.1
485.23303	3.3
486.20419	5.8
487.21127	2.8
488.22577	3.4
489.22794	4.8
491.24664	5.6
493.22147	3.8
501.23135	14.8
503.24539	19.8
504.21463	5.6
517.22125	10.1
518.19293	17.2
519.24640	12.4
529.22229	9.5
532.20074	3.0
535.23047	7.2
547.23364	100.0
548.23895	4.8
561.24646	3.2
563.22919	3.9
573.21021	4.9
577.24445	3.0
579.25781	9.5
591.22382	78.1
592.22290	4.4
595.25653	17.8
605.24103	13.8
623.24994	58.2
624.25110	4.7
637.27094	2.7
655.28021	21.0
655.39532	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	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15178	0.3
65.51144	0.3
69.36352	1.8
75.04474	0.5
98.23478	0.6
102.04992	0.4
131.04779	0.4
137.14200	0.3
144.01347	0.3
167.30043	0.3
276.13885	0.4
343.41718	0.3
377.17804	0.6
379.19196	0.6
389.18008	0.4
391.19281	1.2
392.20020	0.6
403.19147	0.4
405.16196	1.8
405.21387	0.9
406.21848	0.7
407.22409	5.2
408.23300	0.5
418.17682	0.8
419.18164	3.2
420.18832	1.9
421.19989	1.7
431.18140	0.4
432.19553	0.5
433.20633	5.8
434.21008	5.4
435.21878	8.9
436.22488	1.1
446.21222	0.6
447.17551	1.4
447.21957	2.3
448.18665	1.2
448.22916	1.1
449.18930	1.9
451.21066	0.5
461.19806	1.8
461.24341	0.6
462.20270	5.7
463.21213	5.2
464.22134	0.4
466.62711	0.3
474.20905	0.4
475.21072	2.5
476.22150	1.3
477.22827	1.7
479.20935	1.0
481.22070	0.4
489.22766	1.3
490.23758	0.7
491.24930	0.6
493.21347	1.7
494.22916	0.6
495.23972	1.2
506.22833	0.4
507.19534	0.4
507.24329	1.1
508.24988	2.1
509.25455	2.6
520.24585	0.4
521.25629	13.1
522.25940	1.0
535.26947	1.0
536.24713	0.4
540.28033	0.3
549.24945	21.0
550.25293	1.6
553.24854	1.2
554.21429	0.6
563.26843	3.2
564.26776	1.1
577.24664	0.8
580.26648	0.4
581.27386	3.1
595.29260	10.0
596.29718	0.9
607.29138	0.8
609.27002	11.5
610.27295	1.4
623.28131	1.4
655.31152	100.0
656.31537	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	656.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.5
58.32890	0.8
69.03410	1.7
69.35769	2.2
69.36179	1.8
71.01326	0.7
71.04987	18.7
81.03402	1.5
83.04982	1.1
84.05915	0.7
85.02396	1.3
85.02895	19.9
87.00824	0.9
89.03904	5.6
95.04930	1.3
97.02888	4.8
99.04438	1.3
99.33939	0.7
101.05923	0.7
105.01858	1.2
109.02856	1.4
109.10139	2.3
111.04493	0.8
115.87790	0.7
117.03371	11.7
119.08451	1.2
127.03923	2.2
129.05458	5.6
135.04411	8.5
135.11681	2.0
137.88976	0.7
141.11697	0.8
145.02827	37.4
146.03223	0.7
146.08084	1.0
147.06491	1.9
149.05962	3.0
151.07629	1.3
158.02785	0.7
163.03886	100.0
164.04236	1.5
175.07616	0.7
175.14799	2.6
177.05444	80.7
178.05841	1.4
181.04947	1.8
181.08531	0.7
193.15894	2.5
211.16908	3.9
215.81084	0.8
285.66464	1.0
307.08035	1.1
309.09711	1.7
323.11472	1.6
325.09134	16.3
339.10843	4.3
349.55951	0.8
688.64502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34336	0.5
50.48852	0.4
50.88344	0.5
53.03919	1.0
55.01863	0.6
55.05518	2.8
57.03438	9.4
59.05005	0.7
61.02931	2.6
65.03934	0.7
69.03429	15.8
69.03805	0.8
69.91802	1.0
70.06584	1.0
71.01348	0.7
71.04993	53.2
72.05312	0.6
73.02914	3.3
75.04485	7.0
79.05487	0.6
81.03439	2.6
83.04984	12.7
85.02906	100.0
86.03214	0.7
87.04472	2.9
89.00107	0.4
91.03951	1.1
91.05480	7.9
92.66866	0.5
93.07045	1.5
95.04979	2.1
97.02894	9.9
98.22753	0.9
99.04468	1.6
101.06021	1.0
101.28210	0.4
103.03949	1.4
103.05482	0.7
105.07035	1.5
107.08613	0.6
109.02876	1.9
111.04449	8.2
117.07008	0.5
119.04936	6.9
121.06531	2.4
127.03910	8.5
129.05478	37.2
131.04990	1.0
133.06506	1.5
135.04404	0.7
135.08098	0.9
136.05235	0.6
137.05989	1.3
143.04959	0.5
145.04951	6.7
147.06525	26.1
149.05984	1.8
150.06830	0.6
151.07544	46.3
157.06477	0.7
160.05132	0.6
161.06024	1.2
163.06033	2.3
163.07555	3.1
164.09230	0.6
165.07666	1.0
165.09129	4.4
169.08603	9.6
175.07590	1.1
177.05496	0.7
179.07059	1.9
181.08591	8.6
189.09154	1.3
193.08594	8.7
199.06134	0.5
203.07198	0.8
205.08669	0.9
217.08655	0.8
225.07588	1.2
235.09702	2.3
237.07686	1.6
255.08659	4.4
259.09821	1.1
261.11230	7.7
273.09705	4.3
277.10742	3.6
279.12292	5.1
281.04990	0.5
291.10626	0.5
295.11835	2.2
297.09924	0.8
297.13400	0.9
307.42139	0.5
309.11801	6.7
514.76282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97903	2.8
55.01857	4.8
55.05511	34.3
57.03431	6.2
61.02913	5.7
65.24319	2.6
67.05500	26.2
69.03426	5.8
69.07050	10.1
71.42678	2.8
73.02927	3.1
79.05486	23.4
79.49418	2.3
80.33086	2.9
81.03417	7.6
81.07059	23.4
83.04979	3.8
83.08628	17.4
83.65771	2.9
85.02897	9.7
85.06474	2.7
91.03963	3.4
91.05479	28.3
93.07037	13.2
95.04967	9.0
95.08583	8.0
97.02859	7.3
97.10168	37.3
103.05467	17.9
105.04507	2.6
105.07028	21.7
107.04932	5.1
107.08587	11.9
109.02876	3.8
109.06548	2.9
109.10161	6.8
115.05470	9.9
117.07012	49.2
119.08575	7.7
121.10107	4.1
125.09626	32.2
128.06236	7.0
129.06996	23.4
131.08566	23.6
133.06473	4.7
133.10098	5.1
135.08061	4.5
137.09581	3.0
141.06969	11.4
143.08549	11.2
145.06496	7.8
145.10112	7.1
149.09680	4.8
153.09068	3.1
155.08559	13.4
157.10164	3.5
159.08029	3.5
167.08565	6.9
169.10089	6.3
171.11732	3.5
179.08609	4.1
181.10074	6.9
185.09711	3.4
187.14789	9.9
189.11252	17.0
195.08055	3.9
195.11765	4.7
197.13213	14.8
213.12727	6.7
215.14297	40.6
227.12607	20.8
239.14079	2.9
241.12369	3.4
245.13779	5.1
271.17023	4.0
305.15186	3.5
323.16431	8.1
349.39310	3.3
367.22534	8.7
385.23651	6.8
403.24564	4.0
441.26340	73.4
442.26776	5.4
459.27390	100.0
460.27826	7.1
567.29132	11.5
585.30157	8.9
603.31299	10.6
621.33600	3.1
657.30060	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	656.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	3.1
56.05025	0.6
57.03431	1.9
57.07074	0.5
67.05504	7.1
69.07068	3.8
70.06564	0.4
78.12789	0.4
79.04232	0.4
79.05495	3.9
81.07048	7.3
82.06563	1.7
83.08619	1.9
91.05471	1.7
92.04995	0.4
93.07029	5.5
94.06554	1.4
95.04951	0.6
95.07343	0.5
95.08604	5.6
96.08130	0.5
97.10146	0.6
98.22617	0.8
98.98458	0.5
105.07035	1.6
105.62261	0.4
106.06530	1.9
107.07349	5.5
107.08569	3.1
108.08115	7.0
109.06456	0.5
109.08922	0.6
109.10147	2.3
110.09665	1.2
119.08591	1.6
120.08067	0.4
121.08874	1.3
121.10137	0.8
122.09622	2.3
123.11678	0.4
124.11195	2.8
125.00008	2.4
126.12828	0.4
133.10114	1.4
134.09651	7.7
135.10428	35.3
135.11620	1.9
136.11226	3.3
137.11996	0.6
137.13174	0.4
144.08127	0.6
147.11607	0.4
148.11205	1.5
149.11977	3.1
149.13063	0.5
150.12775	4.9
151.13596	0.6
152.14348	4.1
161.13275	0.7
167.09332	1.1
176.14322	1.1
178.15897	52.8
179.16211	0.9
180.17465	16.0
196.16948	3.9
202.15921	2.3
204.04164	0.7
222.08961	2.0
222.18513	7.4
239.38962	0.4
240.19525	2.6
276.13571	81.0
277.13950	1.5
278.15170	2.7
302.14908	0.5
320.16180	100.0
321.16498	2.8
337.27396	6.2
504.24686	0.4
548.23706	1.4
592.22461	0.8
594.38916	1.0
612.40088	4.1
624.25006	0.9
638.41278	1.5
656.28119	2.0
656.43042	6.1
657.42609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13355	0.5
55.05514	0.7
67.05499	1.8
69.07040	1.0
71.14955	0.6
79.05486	1.4
81.07047	2.4
91.05479	0.9
93.07044	1.5
95.08633	1.1
96.49631	0.6
109.10132	0.9
115.40635	0.6
119.02612	0.7
134.09666	1.1
135.10394	3.3
178.15833	4.5
179.16270	1.9
180.17378	0.7
237.13998	0.7
238.14609	0.9
240.19341	0.7
276.13519	5.7
277.13971	2.2
291.19504	0.7
320.16202	6.8
321.16467	2.8
352.17453	0.7
367.19116	2.0
377.17545	0.9
393.20346	0.8
395.18698	1.5
406.21783	0.8
407.17795	0.8
407.22565	1.0
408.22949	0.8
409.20370	1.0
410.21021	1.0
419.18866	1.2
421.19864	2.2
423.17542	0.9
433.19901	1.1
434.21002	1.3
435.21671	1.9
436.22220	2.0
437.23196	2.3
438.20093	3.2
439.21194	1.5
440.22327	1.1
446.20499	0.8
447.22073	1.7
448.22681	1.1
449.23798	1.5
451.21548	0.9
453.22885	6.8
455.24475	1.5
457.16577	0.7
460.22495	2.1
461.19437	1.3
462.20316	2.2
463.21112	1.8
464.21448	2.2
465.22354	2.2
469.22003	1.9
475.25299	1.2
476.21417	3.1
477.22849	3.1
478.23535	0.9
479.20633	1.5
483.23618	3.6
492.21198	0.9
493.21967	1.1
496.24493	0.8
497.25497	1.0
498.26111	3.8
501.22830	1.9
503.21011	1.0
506.23029	1.1
508.24701	0.8
509.25626	0.9
511.23492	3.2
519.23877	1.1
521.25720	1.7
522.24329	0.7
523.19360	1.0
523.25836	2.1
524.23822	2.9
526.25604	8.9
527.25781	1.3
531.23895	4.7
532.23993	0.8
537.24854	2.1
547.23285	1.6
549.25244	4.3
550.23053	0.7
551.25317	4.0
565.25055	1.8
575.23254	1.0
579.26007	1.7
581.27814	0.9
593.23431	1.8
597.27661	4.9
607.23907	0.9
611.27307	2.9
625.26349	9.6
657.29437	100.0
658.29535	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23489	0.7
55.05502	2.3
55.61425	0.8
61.64207	0.7
65.42953	0.7
67.05503	3.6
69.07054	1.5
71.47318	0.8
71.48389	0.7
73.56689	0.8
79.05511	3.0
81.07060	3.7
91.05490	3.0
93.07056	3.5
95.04979	1.7
95.08627	2.9
105.07038	3.3
107.08598	1.5
109.10166	1.4
117.06996	1.1
119.08599	2.8
121.10164	1.0
131.08575	1.4
133.10049	1.0
144.08090	1.0
145.10156	1.9
157.10120	0.9
162.22913	1.1
167.34526	1.0
180.81976	0.8
187.72601	0.8
192.64323	1.0
197.12970	1.0
202.15770	4.1
225.13765	1.6
227.12866	1.0
237.13829	1.3
275.20132	1.2
287.15811	1.1
288.00769	1.0
349.23782	1.2
367.19232	1.9
381.17093	1.0
395.18680	1.1
403.19409	0.9
409.20432	1.5
422.21008	1.1
425.23486	1.2
431.19113	1.3
436.23138	1.0
437.23508	1.6
438.20709	2.8
440.22256	1.4
447.21725	1.8
448.22702	1.1
449.19067	1.4
453.22873	6.5
455.24652	2.3
457.17133	1.6
460.22559	1.9
461.23325	1.3
462.20258	1.2
465.22906	1.9
472.18677	1.6
473.23553	0.9
476.22083	1.3
477.23056	1.7
479.20853	1.1
483.23935	3.6
486.21024	1.5
498.26434	3.4
501.23019	4.4
503.24869	1.7
509.26120	1.1
511.23251	3.2
519.23926	1.1
524.24237	2.6
526.25739	11.2
531.23914	10.5
537.24957	1.4
547.23334	1.9
549.24890	1.6
565.24707	1.5
575.22791	5.0
579.26807	1.4
581.27826	1.2
593.23590	1.9
597.27136	4.3
607.25391	3.7
625.26373	8.3
639.28180	4.2
657.29156	100.0
658.29517	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	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55585	1.3
56.58433	1.5
67.05501	1.5
69.12852	8.0
78.14522	1.3
84.58915	1.3
131.78899	1.4
172.07510	1.6
220.09901	1.5
221.10558	1.7
235.12299	1.7
245.10713	1.8
247.12437	2.2
249.13979	2.1
261.13705	2.9
271.12317	1.8
275.15274	2.2
288.15805	1.6
328.18109	1.5
332.17700	1.7
337.15564	2.4
352.17648	1.7
364.17657	3.2
365.17487	2.8
366.19205	1.8
367.20151	2.2
375.16025	3.6
377.17935	3.4
378.18506	1.9
379.19171	5.0
381.20868	3.1
390.18396	1.6
391.19113	5.2
393.17023	4.9
393.21222	2.6
394.17865	2.1
405.21185	3.1
406.21890	2.9
407.18030	2.9
407.22531	4.4
408.19315	4.4
409.20337	7.3
417.17523	1.8
419.18326	3.5
420.19205	3.2
421.19839	7.0
422.21005	7.5
423.21741	22.1
424.22366	2.8
434.21155	3.4
435.22220	11.7
436.22665	4.4
437.23279	4.8
439.21310	1.9
446.20987	1.9
447.21686	2.7
449.24161	2.9
450.24121	3.2
451.21191	5.9
452.22766	1.8
454.20306	2.2
456.22864	1.9
461.23291	6.2
462.21014	4.1
463.21237	2.8
465.22906	4.5
467.24680	5.4
468.24954	2.6
476.21954	2.4
477.22729	4.7
478.23630	4.2
479.24210	6.1
480.21890	2.4
481.22195	3.9
482.23157	1.8
493.21478	3.4
494.26157	5.2
495.23260	11.2
496.24380	7.0
505.22885	1.8
507.23700	2.3
508.24759	16.4
509.25681	11.6
510.26526	10.2
511.27234	12.0
512.27942	1.8
516.24976	3.1
519.24030	2.8
521.25165	5.7
522.25800	3.3
523.23517	2.7
525.28204	2.4
526.29407	3.3
537.24890	15.4
538.25720	8.3
539.26794	1.7
549.25195	1.7
551.22455	2.0
553.29053	8.6
565.24481	4.8
566.24884	1.6
570.28265	4.9
581.27582	26.9
582.27460	3.1
583.25470	8.6
596.27686	1.9
597.27069	56.3
598.27484	9.1
613.30139	79.5
614.30658	7.0
618.02777	1.6
622.08069	1.9
625.26514	100.0
626.26788	9.4
657.29663	7.5
666.57678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01868	7.7
55.05501	1.3
55.92373	0.9
57.03435	7.2
59.55602	0.9
61.02920	4.4
67.05498	2.8
68.99794	3.9
69.03423	44.2
69.03802	2.2
70.49561	1.5
70.49892	1.0
71.01350	2.4
71.04990	4.5
72.32098	0.9
73.02914	5.9
73.95846	0.8
81.03410	41.7
83.01321	2.1
83.04982	8.1
85.02897	97.9
86.03232	1.2
87.00819	40.8
87.04465	1.6
91.05496	1.3
95.04969	4.6
97.02884	37.4
99.04450	16.4
101.02394	2.7
103.03925	7.4
105.01859	40.6
109.02868	59.6
109.06464	1.0
109.14911	1.0
111.00711	1.2
111.04434	6.9
113.02330	2.1
115.03921	2.2
117.01841	2.8
119.04938	1.6
123.04423	7.3
125.02324	6.4
127.03903	100.0
129.01854	4.8
129.05470	1.4
135.04401	1.8
137.05888	1.6
139.03914	3.8
141.05499	1.6
145.04955	19.3
147.02876	4.4
147.04399	1.2
147.06500	0.9
151.03871	7.2
159.02895	8.1
165.05457	3.3
169.04953	12.5
171.02881	3.0
175.03938	2.1
181.04984	1.4
187.06030	5.8
189.03914	17.3
189.05423	1.8
193.04898	5.7
195.02879	1.5
211.06035	2.4
213.03906	20.6
213.05807	1.8
215.05530	1.4
217.05028	2.2
231.04974	28.0
233.06577	2.8
235.05937	4.5
247.04662	1.2
249.05994	7.6
253.07062	3.4
255.05035	3.3
269.06683	1.5
273.06018	58.3
274.06473	2.3
285.05963	0.9
291.07205	1.5
296.84421	0.9
297.06079	2.1
315.07089	6.7
321.06046	2.5
333.07938	1.6
339.07034	9.6
340.07721	1.2
357.08109	6.3
385.66373	1.0
443.08273	5.4
461.09277	9.4
479.10004	2.1
595.60474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01868	6.3
55.05509	2.4
57.03434	13.0
57.03684	2.0
58.14094	2.0
61.02934	4.4
67.05193	3.2
67.05508	20.4
69.03427	19.2
69.07062	4.5
69.82003	8.8
71.04984	2.7
73.02911	5.1
79.05493	7.7
81.03416	62.8
81.07064	9.1
83.04995	5.0
83.08598	2.9
85.02902	40.6
87.00842	17.5
91.05486	7.5
93.07050	14.5
95.04966	73.2
95.08596	13.5
96.18937	2.1
97.02888	14.5
99.04469	3.9
103.05468	2.8
104.46415	2.3
105.01900	10.4
105.07029	16.0
107.04937	4.3
107.08583	18.6
109.02887	17.8
109.06529	16.4
109.10166	7.4
117.07013	3.3
119.08563	15.7
121.06509	12.1
121.10146	35.0
123.04432	17.9
123.08067	12.3
123.11726	6.6
125.09624	4.5
127.03903	27.1
129.01830	4.2
131.04886	2.5
131.08588	9.6
132.93875	2.1
133.06503	4.2
133.10126	15.8
135.08098	8.9
135.11671	10.8
135.33673	2.5
137.05998	4.9
137.09607	4.4
142.07851	2.8
143.08553	3.2
144.09297	2.4
145.04921	11.3
145.06497	10.5
145.10161	8.9
147.04329	2.4
147.07994	13.7
147.11699	4.5
149.09625	8.4
149.13252	4.1
151.07584	3.8
151.11324	2.6
157.10152	7.6
159.02882	11.6
159.08133	7.2
159.11731	10.0
161.06070	4.9
161.09636	11.5
161.13254	2.8
163.11182	29.3
169.10046	3.1
171.08049	2.6
171.11664	6.4
173.09570	5.5
173.13316	5.4
175.11162	5.3
175.14810	14.7
177.12720	6.1
179.27167	2.4
181.12230	2.3
183.11690	3.7
185.09598	7.0
185.13309	2.9
187.11201	3.4
189.03954	2.6
189.05554	3.8
189.12776	6.9
193.12370	2.6
193.15909	21.5
195.11761	3.5
197.13309	6.7
199.11171	5.6
201.12819	4.4
203.14305	13.8
205.12279	2.7
207.13788	3.2
209.13235	5.2
211.14766	2.9
213.12752	4.7
213.16571	2.9
215.14362	7.5
221.15359	5.4
225.12775	2.9
229.15875	16.5
231.04967	2.7
237.12776	4.1
239.14291	4.3
241.15874	8.2
243.13805	2.3
246.24350	6.8
247.24657	6.0
255.13750	2.9
255.17474	3.2
257.15308	3.2
259.17029	5.8
265.30997	2.3
269.18893	10.5
279.17401	11.4
287.20020	3.7
297.18430	59.3
315.19531	100.0
316.19946	4.3
333.20575	23.1
339.19495	5.4
357.20679	8.1
375.21585	9.8
423.21857	2.7
507.71555	2.9
545.23639	8.3
563.24365	7.8
658.30682	9.6
659.32153	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	658.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01857	6.7
55.05506	4.1
57.03428	7.3
65.03939	2.5
67.05505	15.2
68.99789	2.5
69.03423	15.6
69.07066	2.4
71.04977	2.2
73.02908	3.4
79.05485	5.9
81.03415	58.0
81.07055	5.1
83.04964	2.1
85.02901	31.7
86.65125	1.6
87.00828	12.8
91.05484	6.7
93.07047	7.3
95.04964	59.5
95.08607	9.9
97.02896	17.1
97.06505	2.7
99.04460	6.0
105.01849	11.0
105.06998	10.6
107.04944	1.8
107.08614	12.6
109.02868	14.6
109.06509	8.9
109.10149	5.0
109.28654	1.5
111.08105	1.8
117.07041	2.1
119.08580	16.9
120.08929	1.7
121.06491	8.4
121.10140	25.9
123.04425	20.4
123.08041	6.4
123.11703	2.6
127.03915	26.3
129.01816	2.5
129.06938	1.9
131.04907	2.7
131.08546	7.6
133.06485	5.2
133.10118	18.1
135.08032	9.0
135.11687	6.8
137.05981	2.5
137.09598	6.0
141.06996	2.2
142.07788	2.3
143.08563	5.4
145.04985	8.4
145.06480	8.7
145.10104	10.8
147.04356	2.3
147.08051	8.4
147.11671	6.8
149.09595	6.7
151.07504	2.3
155.08615	2.4
156.09340	2.5
157.10103	6.4
159.02884	8.0
159.08061	4.4
159.11632	8.9
161.09624	15.3
161.13312	2.2
163.07599	1.8
163.11168	16.3
169.10190	2.9
171.08041	4.0
171.11652	6.4
173.09605	5.9
173.13214	9.9
175.11159	5.9
175.14835	13.7
177.12769	6.7
181.10020	2.8
183.08038	2.0
183.11681	4.4
185.09625	11.6
185.13232	6.3
187.11121	6.1
187.14838	3.6
188.11928	2.5
189.05545	2.2
189.09111	2.7
189.12807	7.7
189.40086	1.7
193.15862	10.7
195.11707	3.6
196.08807	1.8
197.09637	2.4
197.13242	6.3
199.11154	7.5
201.09163	2.1
201.12804	4.4
203.14319	26.4
209.09593	2.0
209.13284	3.2
211.11176	7.2
211.14793	2.3
213.12689	3.4
215.14340	6.9
221.15373	5.6
225.12747	5.4
227.10672	3.4
227.14334	11.4
229.12198	5.1
229.15837	7.7
231.04996	5.0
236.11801	1.8
237.12729	2.3
239.14313	5.2
241.12331	2.6
241.15866	6.6
243.13765	4.5
253.15826	2.9
254.16624	1.9
255.17538	3.2
259.16846	4.6
269.19031	15.8
279.17465	13.3
281.18707	1.7
297.18475	68.5
298.18918	2.2
315.19534	100.0
316.19980	5.8
333.20493	6.9
339.19556	4.0
346.76196	1.8
357.20566	13.1
375.21683	9.9
420.74695	2.3
545.23535	2.9
563.24628	7.6
650.64197	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14154	1.2
53.03938	5.5
55.01874	5.5
57.03441	9.5
61.02932	2.4
65.03922	2.1
67.05503	12.3
69.03424	14.0
69.07066	3.0
69.42687	2.3
69.43082	3.8
70.06577	10.6
71.04980	10.9
73.02911	2.8
79.05490	4.9
81.03411	57.7
81.07056	7.5
83.04963	4.2
83.08630	2.3
85.02900	32.7
87.00820	10.6
87.91139	1.3
91.05476	14.2
93.07048	10.3
95.04962	48.6
95.08582	8.0
97.02880	15.1
97.06544	4.1
98.22622	1.4
99.04465	7.0
103.05521	2.2
105.01850	7.3
105.07014	12.0
107.04951	2.9
107.08569	10.5
109.02873	19.4
109.06522	9.6
109.10150	5.0
111.08057	2.5
119.04935	17.8
119.08569	18.0
120.08105	4.7
121.06507	11.2
121.10145	20.5
123.04416	15.5
123.08051	6.5
123.11755	1.5
127.03912	25.3
128.06187	1.9
131.04918	2.8
131.08571	4.8
133.06490	4.3
133.10133	20.0
135.08032	9.4
135.11702	6.5
137.06009	4.1
137.09622	2.8
142.07816	3.4
143.08586	3.1
145.04924	7.1
145.06509	5.5
145.10159	8.3
146.59047	1.6
147.04396	100.0
147.08035	7.8
147.11682	4.8
148.04649	2.2
149.09634	6.2
151.07565	2.6
151.11160	2.8
155.08484	2.7
157.10155	4.9
159.02867	8.0
159.08075	3.6
159.11688	8.0
161.05965	1.8
161.09605	14.1
161.13278	2.3
163.11185	15.7
165.05470	6.3
169.10110	3.2
171.08040	3.3
171.11682	6.3
173.09633	5.7
173.13298	6.0
175.07706	1.6
175.11221	2.7
175.14795	12.7
177.09183	1.8
177.12744	7.9
181.08549	5.4
181.10051	2.8
183.08076	1.9
183.11668	3.4
185.09560	7.6
185.13277	4.5
187.11198	4.9
187.14825	1.8
189.09084	2.5
189.12799	5.3
191.14282	2.8
193.10130	1.6
193.12212	1.6
193.15897	11.8
195.11748	2.0
197.09618	2.8
197.13258	5.1
199.11174	5.0
199.14764	1.8
201.12703	3.5
203.10606	2.4
203.14281	17.9
209.09653	2.3
209.13322	1.7
211.11133	8.3
211.14709	2.2
213.12718	4.2
214.13319	1.6
215.10767	2.3
215.14378	7.4
217.12399	1.4
221.15302	6.9
223.11168	2.4
225.12755	2.8
226.13487	1.8
227.10765	1.9
227.14256	14.5
229.12225	4.2
229.15836	8.4
231.05017	4.2
233.11676	1.8
237.12743	3.5
239.14275	4.2
241.12280	1.9
241.15884	7.3
243.13802	3.6
253.15804	3.1
254.16681	2.3
255.17578	2.3
259.16913	4.9
269.19037	11.9
271.17133	2.3
279.17435	12.1
287.20215	1.6
297.18466	79.4
298.18845	2.3
315.19516	94.9
316.19937	4.0
329.20975	1.9
333.20560	7.9
339.19635	6.8
353.03592	1.6
357.20532	16.2
375.21497	8.8
395.09695	26.7
405.20435	2.0
545.23553	3.0
563.24750	7.0
581.25397	1.8
658.30585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01859	5.5
55.05498	3.9
55.44075	1.5
55.90176	1.9
57.03441	9.5
59.41652	1.5
65.03938	2.8
65.80760	1.6
67.05515	8.4
67.29282	1.6
68.99780	3.5
69.03432	13.3
69.07055	2.6
69.69568	7.3
70.06583	10.5
71.01228	1.6
71.04980	12.5
73.02890	2.1
74.08591	1.5
79.05478	6.4
81.03410	52.3
81.07038	5.0
82.20419	1.7
83.04978	2.0
85.02899	35.4
87.00834	9.1
91.05463	10.4
93.07040	7.5
95.04967	43.3
95.08609	6.3
97.02873	15.1
99.04453	7.0
99.08083	2.6
105.01851	7.6
105.07015	9.5
107.04939	5.7
107.08572	10.2
109.02856	15.8
109.06513	7.8
109.10123	4.1
111.04489	2.3
111.08062	2.0
119.04939	15.9
119.08572	15.6
120.08109	3.0
121.06511	8.8
121.10129	19.9
123.04418	17.2
123.08044	7.3
123.11633	2.5
125.09552	2.2
127.03903	29.6
129.01834	3.2
129.07013	3.8
131.04904	3.6
131.08580	4.0
133.06476	4.7
133.10112	16.1
135.08043	9.3
135.11621	4.5
137.05910	2.7
137.09605	4.1
138.72623	1.8
143.08571	2.2
144.09254	1.8
145.04967	6.7
145.06497	8.4
145.10112	7.6
147.04395	100.0
147.08029	9.7
147.11665	3.7
148.04750	1.8
149.09592	7.9
151.07503	2.5
157.10123	5.6
159.02878	5.1
159.08052	4.8
159.11681	4.8
161.09599	9.8
161.13220	2.4
162.40442	1.7
163.07381	1.7
163.11145	16.0
164.02478	1.9
165.05521	6.5
165.06842	1.9
169.10117	2.7
171.08017	3.9
171.11687	4.7
173.09612	5.4
173.13275	5.1
175.07576	2.5
175.11188	4.2
175.14809	13.8
177.12775	5.1
181.08607	4.4
181.10120	2.5
183.07982	2.5
183.11673	2.7
185.09521	8.0
185.13240	5.0
187.11203	5.2
187.14815	3.5
189.12790	6.8
193.15839	7.8
193.59894	1.8
195.11464	2.1
197.13306	5.2
199.11198	4.1
199.14757	2.2
201.12755	5.2
203.14322	21.5
211.11153	5.7
211.14819	2.7
213.12738	2.6
215.14284	5.0
221.15446	4.9
225.12833	2.8
226.13611	2.1
227.10715	2.7
227.14326	12.3
229.12219	6.1
229.15894	7.7
231.04982	5.5
233.11584	2.4
239.14375	3.1
240.30788	2.0
241.15857	7.2
243.13777	3.4
259.16891	4.4
269.18906	12.3
273.18530	1.9
279.17398	11.0
297.18448	74.5
298.18945	3.3
315.19516	89.8
329.21390	2.6
333.20648	8.7
339.19574	7.3
357.20642	12.7
375.21658	11.2
395.09702	25.5
545.23145	1.8
553.21442	2.0
563.24847	4.4
658.30756	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	658.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04218	0.5
55.05518	0.5
57.07076	7.8
57.26579	0.5
58.06594	2.0
58.97134	0.5
65.03924	0.6
68.05031	0.8
69.03434	0.5
70.06590	19.6
70.14452	1.0
71.08632	2.4
72.08150	0.8
81.07096	0.6
85.02886	0.5
85.10195	0.6
88.07626	22.5
91.03965	0.5
97.02878	0.4
102.09174	16.1
105.03429	0.6
131.04929	1.0
132.10196	0.6
146.11781	0.8
147.56659	0.4
149.02333	41.4
175.03979	1.4
177.05508	1.3
191.07005	0.5
193.04951	51.1
194.05307	1.2
212.23802	0.7
219.06578	1.5
225.05373	0.8
237.07567	15.1
256.26334	43.4
257.26669	1.3
269.04483	1.6
297.03952	3.0
300.28976	2.3
313.07013	3.4
341.06543	11.3
341.10495	0.8
343.08548	0.6
353.88788	0.5
359.07614	8.1
385.09131	24.5
386.09097	0.7
429.11792	28.0
430.12305	1.4
516.96149	0.5
640.34155	0.8
658.35779	100.0
659.35992	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	659.2348
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
67.05498	2.2
70.44641	0.9
76.17733	1.0
79.05486	1.8
81.07058	2.5
91.05464	1.7
93.06998	1.6
95.08588	1.7
105.07046	1.2
145.10060	1.0
225.13843	1.2
237.13925	1.8
347.81012	1.2
399.14505	2.7
400.15353	5.3
401.15771	1.5
410.14413	1.5
413.16025	1.4
414.16574	4.2
421.13187	3.1
422.14008	5.7
423.14426	4.6
424.15131	1.1
427.17923	1.8
428.17950	1.8
429.19348	1.8
435.14731	2.6
436.15079	5.0
437.16214	10.5
438.16879	2.9
439.17529	1.5
441.15298	1.6
442.16382	1.4
449.15915	1.9
450.16846	4.0
451.17474	5.2
452.18295	3.7
454.16324	1.4
455.16901	1.9
456.17981	1.3
463.13617	1.5
464.14624	4.0
465.15134	3.8
465.20285	1.5
466.15860	1.5
467.17157	3.5
478.16351	3.6
479.17029	4.4
480.18112	5.4
481.18741	1.6
482.15570	2.2
483.16711	4.1
484.16669	1.8
493.19037	10.6
494.16162	3.4
495.16617	5.0
496.16983	2.0
498.15253	1.4
507.16971	2.4
508.17578	6.6
509.17920	3.7
511.19766	1.5
512.16492	8.0
516.23877	1.6
521.18286	12.6
522.15906	3.6
522.17902	3.6
523.19464	1.6
524.16321	1.6
525.19116	1.6
537.17633	1.6
539.19232	3.2
540.19598	5.6
543.22705	2.5
549.18201	1.2
553.20929	14.1
571.21594	2.7
572.21906	4.8
579.00616	1.1
581.20245	48.5
582.20282	4.5
587.28046	1.5
588.38306	1.1
597.26794	1.9
599.21082	25.1
600.21106	6.2
609.20001	1.8
613.22815	16.7
614.22968	1.5
615.27936	7.5
622.23096	3.3
627.21704	1.9
631.24188	3.5
641.22394	100.0
642.22577	9.6
659.23352	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	659.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54723	0.5
55.05497	1.0
67.05495	1.2
70.02539	1.1
70.02910	0.8
70.34834	0.5
79.05499	0.7
81.07064	1.1
87.92787	0.4
91.05485	0.7
93.07033	1.1
95.08596	1.1
97.06542	0.5
103.10090	0.5
105.07020	0.9
107.08588	0.7
109.10150	0.4
111.04509	0.5
117.07005	0.6
119.08561	0.6
129.93518	0.5
131.08571	0.7
133.10158	1.0
166.08702	0.6
182.30252	0.6
183.60124	0.5
217.92709	0.5
233.12090	0.5
247.04337	0.5
299.14175	0.5
313.15607	1.0
341.15100	1.7
373.17908	2.5
383.16196	1.0
385.18152	0.5
387.25412	0.5
396.51978	0.6
436.14996	0.5
437.16559	0.6
443.27728	1.3
444.28250	1.3
451.18057	0.7
452.14493	0.7
453.15317	0.7
461.29117	1.8
462.29233	0.5
465.15524	1.1
466.16476	1.8
467.16992	2.3
477.15442	0.5
479.17505	0.5
480.18381	1.1
481.18826	2.1
482.19598	1.4
484.17053	0.6
490.16571	0.7
493.14874	1.3
494.15741	1.4
495.16223	4.6
496.17203	1.9
497.18283	2.6
498.19037	1.7
506.22687	1.0
507.16522	3.0
508.17288	2.5
509.18240	14.5
510.18857	8.1
511.16492	0.9
512.17316	0.9
513.18115	0.7
521.18402	1.4
522.18829	1.9
523.19836	14.6
524.20538	12.7
525.18799	1.9
526.18500	3.5
527.18616	0.9
537.22180	8.3
541.21259	2.9
551.19379	1.4
553.17371	1.0
554.18103	0.7
555.18579	0.8
556.19580	1.3
565.20642	0.7
567.19141	0.7
568.19489	2.2
569.20331	25.1
570.20294	2.6
582.20892	3.1
582.50879	0.5
583.22083	1.4
586.20422	1.0
587.21381	10.7
588.21674	1.1
600.21637	1.1
610.22375	0.7
612.17712	0.8
613.19110	0.8
627.20496	2.4
628.21533	13.4
629.20990	1.7
641.22430	4.0
645.21661	0.6
646.22711	1.3
659.23431	100.0
660.23834	9.0
677.24463	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	659.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06464	0.4
71.43643	0.4
95.01019	0.6
95.97417	0.4
96.01772	0.7
97.02573	0.8
107.08562	0.4
113.02077	0.8
114.70086	0.4
121.09997	0.3
123.07964	1.6
125.02013	0.6
135.04350	0.6
139.03668	1.7
141.05157	1.1
151.03674	0.4
155.17862	0.4
163.03888	2.5
164.04166	0.8
169.04611	1.7
185.04089	1.6
186.04916	0.5
191.02983	0.3
201.03558	0.4
209.08002	0.7
209.15244	0.4
245.06300	3.4
249.14537	0.9
273.05829	0.5
277.13986	0.7
285.09225	0.5
329.08350	0.4
331.09897	1.3
335.18137	0.5
347.09357	1.5
358.11716	0.4
377.19128	0.4
389.10464	2.9
393.18781	4.6
407.11526	0.9
411.19675	2.7
433.09473	0.5
453.20856	7.8
555.24115	7.3
566.16223	0.5
573.25110	22.1
574.25555	1.3
597.24695	0.4
615.26147	94.1
616.26447	5.3
659.25116	100.0
660.25452	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	659.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57769	0.4
69.42747	2.3
83.26213	0.4
85.02835	0.7
95.01022	1.0
96.01801	1.0
105.06953	0.6
106.08995	0.4
113.02007	0.8
123.08013	1.2
125.02047	0.6
139.03683	2.2
141.05162	0.6
147.11598	0.6
157.04660	0.8
163.03818	1.3
164.04160	0.6
169.04640	1.4
178.61113	0.5
185.04118	1.8
186.04871	0.6
209.93799	0.4
245.06297	3.7
249.14543	0.6
273.47073	0.5
316.79947	0.5
331.09842	1.2
335.18182	0.7
347.09302	1.9
389.10745	2.4
393.18771	5.4
407.11707	0.8
411.19952	2.5
447.91138	0.5
453.20837	6.6
555.23981	6.8
556.24805	0.7
573.25146	23.1
574.26129	0.8
615.26160	100.0
616.26691	5.5
659.25128	98.4
660.25397	6.1
667.26135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20458	0.4
70.48180	0.4
79.42364	0.4
98.23524	0.9
123.08062	1.0
149.03409	0.4
156.01056	0.4
168.41193	0.4
169.04785	0.6
185.04311	0.6
249.14856	0.5
287.07373	0.5
347.09610	0.6
389.10513	2.1
393.18863	0.9
407.11646	0.7
411.19870	10.7
411.24969	0.8
439.19525	4.6
451.11157	0.6
453.20633	0.8
555.24164	1.6
573.25159	16.5
574.25830	1.0
597.24847	0.6
615.26196	28.2
616.26367	1.8
659.25140	100.0
660.25391	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05510	8.3
57.03437	8.2
57.07078	2.7
61.02929	7.8
65.03948	1.3
67.05502	38.0
69.03422	2.3
69.07069	12.2
69.25155	2.6
69.25561	2.3
70.06585	1.3
71.05000	3.5
73.02916	3.1
79.05492	22.9
80.05810	0.9
81.03427	4.2
81.07056	49.9
83.04988	3.1
83.08622	10.4
85.02908	8.0
85.06555	2.5
86.03239	1.3
88.07625	1.7
91.03949	4.1
91.05476	13.9
93.07043	33.1
95.04974	3.1
95.08606	12.3
97.02882	5.9
97.06535	5.6
97.10182	1.4
98.03257	0.9
99.04459	1.3
99.08087	1.1
101.68528	0.8
102.09178	0.8
103.03954	0.8
105.04533	1.6
105.07021	5.0
107.08590	19.1
107.09260	1.4
109.02921	1.8
109.06538	1.9
109.10181	2.3
111.08089	3.8
111.93980	0.9
117.06979	4.4
119.08611	2.3
121.06551	1.8
121.10141	10.0
123.11699	2.2
124.77669	0.8
127.03921	2.2
130.05916	0.8
131.08543	5.5
133.10127	7.5
135.08105	1.1
135.11653	5.7
145.04930	1.1
147.11705	1.0
149.02390	1.3
149.13246	16.2
151.11159	1.4
154.65062	0.8
159.11702	7.8
166.98616	0.8
177.12785	2.5
193.04939	1.9
195.13779	9.6
213.14807	0.9
251.16479	1.1
256.26407	1.5
257.26736	1.5
269.17459	48.6
270.17923	1.1
335.25717	1.9
336.26300	2.8
386.09720	1.0
431.12317	0.9
463.30530	100.0
464.30844	5.3
502.14209	0.8
590.35999	0.8
607.34741	1.6
660.36224	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01877	1.2
55.05510	7.9
57.03436	4.2
57.07069	0.6
61.02913	2.4
62.55856	0.5
65.03942	1.0
67.05499	28.2
69.03413	1.0
69.07061	9.5
69.71052	1.0
71.04974	2.3
71.08624	0.6
73.02908	0.7
79.05489	16.8
81.03410	1.8
81.07053	39.9
82.07391	1.1
83.04980	2.9
83.08611	8.7
85.02885	2.3
85.06542	1.8
91.03948	1.2
91.05471	12.4
93.07040	28.9
95.04971	4.5
95.08593	11.8
97.02882	1.1
97.06517	5.2
97.10169	1.7
98.22749	1.0
99.08093	1.8
105.04536	0.8
105.07030	6.8
107.04978	1.1
107.08585	16.1
109.06512	1.5
109.10143	2.0
111.08069	2.9
117.07015	6.6
119.08560	3.3
121.06511	1.2
121.10139	8.0
123.11701	2.0
129.07007	1.7
131.08560	7.5
133.10114	7.6
135.08052	1.2
135.11681	5.9
141.07033	0.7
143.08545	1.5
144.33012	0.6
145.10110	2.2
147.11635	1.2
149.09579	0.9
149.13245	11.2
151.11168	1.2
155.08501	0.9
157.10156	1.4
159.11682	6.4
169.10161	0.8
177.05455	1.1
177.12724	2.4
181.10110	0.5
183.11765	1.0
186.27780	0.6
195.13774	7.4
204.93756	0.6
213.14731	0.9
251.16537	1.3
269.17459	25.8
273.18539	0.5
309.58792	0.5
353.24786	1.8
371.25797	1.5
389.26996	1.3
427.28116	0.9
445.29459	11.7
446.29581	0.8
463.30518	100.0
464.30820	6.4
481.31470	0.8
607.34583	2.1
661.31866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06284	0.8
53.03937	0.9
55.01882	1.1
55.05506	6.3
57.03437	4.9
59.65127	0.8
61.02927	3.0
65.03941	1.7
65.32785	0.9
67.05502	31.5
69.03426	1.2
69.07064	10.8
69.88059	1.1
69.88390	1.8
71.04996	2.0
73.02900	1.1
77.03960	1.1
79.05493	18.7
81.03417	1.9
81.07056	43.1
83.04974	2.8
83.08625	9.8
85.02901	3.1
85.06545	1.4
91.03977	1.2
91.05479	15.8
93.07046	28.5
95.04970	4.6
95.08599	12.5
97.02890	2.1
97.06522	5.8
97.10191	1.4
98.36080	0.8
99.08082	1.4
105.07036	7.8
106.61191	0.9
107.04942	1.4
107.08586	15.0
109.10138	3.6
111.08078	3.9
117.07006	6.3
119.08576	3.8
121.06475	2.1
121.10139	9.9
123.08108	1.8
123.11710	2.3
129.06967	2.4
131.08553	10.3
133.10130	8.4
135.08058	1.2
135.11711	6.8
135.28499	0.8
141.06969	1.2
143.08514	2.1
145.10100	3.3
147.11679	1.4
149.13261	12.1
149.29066	0.9
151.11169	1.4
155.08493	0.9
157.10135	1.2
159.11678	7.1
177.12764	1.9
183.11626	1.1
195.13814	5.7
223.14790	0.9
237.07486	1.8
247.11984	0.7
251.16451	2.8
257.18884	0.9
269.17471	27.2
270.18030	1.3
312.17770	0.9
353.24762	2.3
371.25763	2.6
389.26678	1.4
417.95319	1.0
427.28607	1.0
445.29480	19.6
446.22516	0.8
463.30530	100.0
464.30859	5.6
481.31241	1.9
511.93546	0.9
590.89093	0.9
607.34900	5.1
661.14954	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
53.68352	0.8
55.01868	1.0
55.05511	8.5
57.03425	5.0
61.02914	2.6
67.05500	25.7
69.07057	8.6
71.04985	2.9
77.03922	1.3
78.55558	0.8
79.05486	19.9
80.56695	0.8
81.03399	1.8
81.07052	35.4
83.04971	3.2
83.08614	6.2
85.02911	3.0
85.06544	2.0
91.03960	1.0
91.05474	13.0
93.07036	25.9
95.04974	4.5
95.05503	1.0
95.08597	12.2
97.02884	1.1
97.06539	4.0
99.08080	1.0
101.97263	0.8
105.07037	10.1
106.46728	0.9
107.04955	1.2
107.08580	15.6
109.06524	2.1
109.10172	4.1
111.08068	3.3
117.07011	6.4
119.08578	7.1
121.06516	1.3
121.10139	7.9
123.11687	2.6
129.06970	3.0
131.08545	9.2
132.86467	0.8
133.10118	6.9
134.26364	0.8
135.08092	1.0
135.11705	4.1
143.08585	1.9
145.10104	2.6
147.07976	1.0
147.11688	1.6
149.13248	10.0
149.19350	0.8
155.08560	1.5
155.46013	0.9
157.10141	2.1
159.11668	6.2
169.10081	1.5
171.11761	0.9
173.13252	1.0
175.04951	0.8
177.12753	2.2
181.44887	0.8
182.30672	0.9
185.13245	1.2
195.13799	6.6
197.13219	1.4
202.57121	0.8
209.13268	1.4
251.16316	1.7
269.17487	19.9
270.17740	1.0
271.15109	0.9
330.68091	0.9
343.26270	1.0
352.51382	0.8
353.24744	2.8
371.25650	3.3
389.26810	3.1
427.27985	1.1
445.29361	13.7
446.29672	1.0
463.30533	100.0
464.30908	6.4
481.31061	0.9
607.34357	3.3
626.84735	0.8
642.26166	0.8
661.31885	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01866	1.1
55.05512	8.4
57.03437	7.2
57.07067	1.8
61.02923	4.4
64.17282	0.8
65.03935	1.1
67.05504	35.8
67.58837	0.7
69.03436	1.1
69.07068	12.3
71.04976	3.0
73.02939	0.9
76.13264	0.7
77.03888	1.1
77.20151	0.8
79.05042	1.6
79.05492	22.8
81.03420	2.3
81.07056	54.0
81.66814	0.7
83.04974	3.3
83.08619	12.7
85.02897	3.4
85.06528	2.8
86.09704	2.8
91.03959	1.0
91.05482	16.7
93.07043	31.6
95.04964	4.8
95.08602	11.1
97.02895	1.9
97.06533	5.7
97.10171	1.8
99.08101	1.7
104.10748	0.8
105.04527	1.4
105.07021	5.5
107.08591	22.0
109.06556	1.0
109.10138	2.2
111.08069	2.7
117.07006	7.5
119.08573	1.7
121.06527	2.3
121.10155	8.3
123.11716	4.3
126.78329	0.8
131.08545	6.3
133.10132	10.5
135.08032	1.8
135.11693	7.4
146.98198	2.6
149.02362	1.2
149.13258	11.9
151.11209	1.1
159.11679	6.6
167.14246	1.1
177.12714	3.0
194.05243	0.9
194.65793	0.8
195.13791	12.0
213.14844	1.3
233.15363	0.7
251.16470	2.7
252.07397	0.7
257.87610	0.7
269.17462	63.1
270.17831	2.1
376.26245	0.8
445.29645	1.6
463.30527	100.0
464.30853	8.3
481.23383	2.0
535.04663	0.9
540.30670	4.0
589.23340	0.9
607.34766	1.3
613.65106	0.8
660.35602	3.8
661.31140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29801	0.3
62.22916	0.3
66.38176	0.3
70.78146	0.4
86.90949	0.3
93.07018	0.3
93.99248	0.3
138.54153	0.3
149.52380	0.3
206.92979	0.3
359.06143	0.5
400.16116	0.4
411.14496	0.8
412.15274	1.0
413.16290	0.9
414.17557	0.4
415.13699	0.5
424.15302	0.4
425.16367	2.1
426.17029	2.7
427.17993	0.6
429.15512	0.5
439.13821	1.1
439.18436	0.7
440.14157	1.4
440.18542	2.7
441.15567	1.4
441.20090	1.0
442.16229	0.7
443.17197	1.4
444.18033	0.7
452.14105	0.7
453.15643	4.8
454.16278	3.5
455.16849	2.3
456.18246	2.7
457.19247	2.0
458.20398	0.5
466.16489	0.7
467.12506	0.7
467.18265	3.3
468.18826	6.4
469.14059	1.3
469.18729	4.8
470.20374	1.7
471.20270	1.5
472.17163	0.6
480.14206	0.8
481.14175	2.9
482.15271	7.1
483.16061	5.3
485.18979	0.6
494.16257	0.7
495.16757	4.1
496.17459	10.3
497.18115	23.4
498.18756	4.4
499.16235	1.1
500.16782	0.8
509.15015	1.2
510.18851	1.4
511.19443	2.0
513.17560	2.8
514.18408	4.4
515.19128	3.5
522.15387	0.5
523.14990	0.6
524.16663	8.0
525.17896	1.4
526.17810	0.4
527.18213	0.4
528.20349	4.3
529.20898	3.6
530.21344	1.6
537.18311	0.4
538.18872	0.6
541.16974	0.6
542.18121	0.6
553.20728	1.4
554.18262	0.4
555.18750	3.0
556.19489	6.8
557.19531	2.9
569.20215	4.2
570.20953	1.2
571.18420	0.5
585.23267	1.8
587.21387	1.4
597.19861	7.4
598.19861	1.1
601.22656	1.7
602.22314	0.4
611.20880	0.6
629.22400	37.6
630.22760	4.3
631.19336	0.5
643.24268	0.8
646.22949	0.6
647.23596	1.2
661.24951	100.0
662.25171	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	661.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.05514	0.2
55.01867	0.9
55.05494	0.7
57.03434	3.9
59.04980	0.3
61.02921	2.2
66.01507	0.2
66.75979	0.2
69.03067	0.3
69.03423	5.3
71.01346	1.3
71.04988	7.6
73.02910	16.3
75.04467	0.8
79.05484	0.4
81.03404	0.8
83.04976	5.0
85.02898	15.8
87.04453	0.9
95.04964	0.3
95.63286	0.2
97.02883	4.6
99.04442	0.8
101.06075	0.2
102.82249	0.2
103.03930	0.5
106.06541	1.6
107.08866	0.2
109.02895	0.2
109.06550	0.2
111.04442	3.4
113.02330	0.2
115.03928	4.5
122.05999	0.6
125.05965	0.3
127.03896	1.1
129.05467	4.5
132.04457	0.4
133.04939	2.6
133.07588	0.7
134.05995	0.8
139.03893	0.4
143.03389	0.2
145.05016	0.3
146.06042	0.4
147.06511	2.1
151.03886	0.4
160.31638	0.2
161.07092	2.5
163.03918	0.2
165.05373	0.2
169.04933	0.3
171.06549	0.3
175.08578	1.1
176.07086	0.5
177.05475	0.5
179.06743	0.3
179.08154	2.4
187.08614	0.3
188.09427	1.1
190.10973	1.9
195.06535	0.3
201.10349	0.4
202.11101	0.9
203.11774	23.5
204.12149	0.7
206.10463	2.5
213.10240	0.3
215.11806	0.4
221.12825	100.0
222.13159	2.0
225.07582	1.2
239.11815	0.2
243.08580	0.7
245.12839	1.6
261.09595	0.3
263.13873	3.0
269.12888	0.2
287.13797	0.2
299.13959	0.3
329.14883	0.2
331.16611	0.4
347.15964	0.4
349.17404	0.6
353.17047	1.0
365.16672	0.4
367.18646	3.6
382.93167	0.2
383.18091	15.3
384.18372	0.6
393.69989	0.2
395.18088	0.6
499.22806	1.6
515.22119	0.5
529.23895	3.5
661.27258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77159	0.4
63.68464	0.3
64.06005	0.3
67.05491	0.3
69.43330	0.3
69.67227	1.0
72.02202	0.3
79.38309	0.3
87.56851	0.3
91.05457	0.6
93.07037	0.6
107.08599	1.2
107.83734	0.3
119.80353	0.3
134.05981	0.4
135.11728	0.4
140.07262	0.3
140.93330	0.3
152.07031	0.8
166.08688	0.5
181.04893	0.3
184.09457	0.4
192.06563	0.4
194.08136	1.4
221.10852	0.4
223.12292	0.6
235.08684	0.7
236.09387	0.4
237.10225	1.8
243.74995	0.3
249.10207	5.5
250.10953	2.4
251.08182	1.6
251.11786	3.8
252.12469	0.5
252.32483	0.3
254.10477	0.3
261.10245	0.9
262.10965	0.5
263.08176	1.1
263.11850	1.0
264.08929	1.0
265.09686	8.0
265.13123	0.4
265.13596	0.4
266.10358	0.3
277.09671	3.6
278.10464	6.3
279.07663	7.9
279.11258	9.6
280.11954	0.9
282.10001	1.3
293.09238	1.5
293.12769	8.2
294.10019	0.3
294.13440	0.4
295.10718	0.8
295.14215	0.4
296.11548	0.9
297.12253	0.8
305.09186	1.5
306.10083	0.9
307.10748	2.8
308.11444	0.9
309.09033	0.4
309.12122	1.7
310.09399	0.4
311.10297	5.6
311.13824	0.6
317.14807	0.4
321.12393	1.1
322.13083	0.4
323.10239	0.5
323.13959	0.6
324.10974	1.4
325.11752	3.9
326.12524	0.7
333.08713	1.8
334.08972	0.4
338.12708	0.8
339.13376	29.9
340.13828	1.6
341.11444	0.4
342.12454	0.5
349.11798	0.4
351.09744	4.5
352.10388	2.0
353.14899	3.1
354.12427	1.0
355.12848	0.9
356.13794	1.8
366.12088	3.8
366.16257	0.4
367.12814	6.4
367.17001	0.6
368.13788	0.6
369.14417	2.0
370.15576	1.1
371.16110	0.5
380.14066	0.4
383.12387	1.0
384.13126	2.3
384.16821	0.4
385.17868	0.4
396.13394	0.4
397.13718	0.7
398.14645	4.6
398.18652	0.5
399.15475	100.0
400.15814	5.0
401.13553	1.0
412.16632	0.5
416.15735	0.5
429.16776	0.6
430.17548	0.4
438.14417	0.5
444.19244	1.2
456.15707	0.7
457.16165	3.4
458.17242	2.1
488.18149	1.2
489.11765	0.6
489.18906	10.0
490.19589	3.1
538.21783	22.0
539.22504	5.4
597.23639	1.7
629.26221	2.2
661.33307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17324	0.3
67.05475	1.1
69.03369	0.4
69.07034	1.6
69.67554	1.5
81.03389	0.9
86.11385	0.4
94.06081	0.4
94.06569	4.6
95.04961	0.6
98.23459	0.4
108.04466	0.6
108.08099	0.5
110.06055	0.6
112.07578	0.6
116.04967	0.7
122.06013	12.2
136.07539	2.7
140.07050	12.1
140.07904	0.2
140.08144	0.4
144.04414	1.1
144.08075	0.5
145.02852	0.7
145.05206	0.9
146.05992	9.9
148.07416	0.4
150.05504	1.8
154.06529	0.4
155.07320	0.5
155.08524	0.6
158.06027	0.6
160.07516	0.8
161.07048	0.6
162.05479	1.2
163.03712	0.5
170.09648	3.1
171.10387	0.6
172.03926	10.0
172.07561	1.0
172.09901	0.9
172.11188	1.2
173.04706	1.5
174.05476	6.6
174.09123	1.2
175.08652	1.3
177.05443	0.6
184.07541	0.6
184.11151	0.9
185.08267	0.5
186.09143	0.9
187.08629	0.6
187.12279	4.5
188.07007	0.6
191.05792	1.8
192.06595	0.5
197.08377	0.8
198.09119	20.5
199.12189	0.8
200.09160	2.2
200.10782	1.3
201.10039	0.4
201.13943	0.6
204.06537	12.8
205.07346	0.4
206.08107	6.8
210.09154	1.5
212.08891	0.4
212.10829	5.0
213.10164	0.7
214.10843	0.7
215.11775	17.6
216.12253	0.4
225.10146	1.0
226.08656	6.8
226.10774	0.4
227.08186	0.9
227.11761	5.2
228.08908	1.1
229.09564	0.5
229.13361	1.1
231.11215	0.7
239.11723	0.6
240.08604	1.2
240.10149	2.4
241.09657	2.0
241.13324	0.9
242.10284	2.5
243.11261	100.0
244.11610	2.6
253.09653	0.4
255.11269	20.5
256.11761	2.0
257.12805	6.1
267.11246	0.9
277.09775	0.4
283.10724	3.0
284.11435	0.9
285.12305	97.7
286.12582	3.5
313.08469	0.7
313.11786	7.4
315.13342	9.4
316.13950	1.5
317.14920	91.5
318.15277	2.9
331.12854	0.8
337.11780	0.6
339.13174	0.4
345.14355	3.0
383.13986	0.4
385.14383	0.4
399.15594	0.4
428.16165	0.6
443.15817	1.3
444.19543	2.2
445.19839	0.6
456.15646	0.7
471.17761	1.1
488.18130	6.3
503.20413	1.6
537.65955	0.4
585.26868	1.3
597.23120	0.9
601.26733	0.4
611.25140	0.5
615.28143	0.4
629.26086	4.8
630.26154	0.6
643.27417	4.3
650.17511	0.4
652.70178	0.5
661.32996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
67.05477	0.8
69.07050	0.8
69.09647	1.0
69.10051	2.5
81.03361	0.4
81.07028	0.5
85.47929	0.4
85.82278	0.4
91.05423	0.5
94.06555	2.1
97.06506	0.8
98.23425	1.2
112.77755	0.4
113.01492	0.4
116.04990	0.5
117.03433	0.5
119.04975	0.7
122.06022	7.0
136.07544	2.2
140.07063	5.3
143.08510	0.5
144.04413	1.4
145.02779	0.8
146.05989	6.2
147.04393	3.0
148.04735	0.9
150.05492	1.6
155.07315	0.6
155.08472	0.9
160.07590	0.7
161.07062	0.6
162.05469	1.2
170.09639	2.9
172.03894	6.5
172.07587	0.6
172.09909	0.8
172.11192	1.1
174.05458	2.6
174.09100	1.1
175.08629	0.9
177.05453	1.2
181.04953	0.9
183.06699	0.7
186.09203	0.8
187.12283	4.5
191.05702	0.7
198.09120	21.8
199.08737	0.6
200.09094	2.2
200.10754	1.5
204.06532	9.6
205.07079	0.7
206.08096	5.6
212.10739	4.5
214.08665	0.6
215.11780	18.9
225.10208	1.1
226.08676	5.4
227.08243	0.6
227.11752	2.3
228.08878	1.3
229.09564	1.0
229.13399	0.9
231.11270	1.2
240.10397	3.1
241.09651	1.1
241.13292	1.8
242.10379	1.6
243.11259	100.0
244.11578	2.9
255.11270	9.0
256.11951	0.9
257.12811	5.7
267.11316	1.0
283.10773	1.5
284.11282	0.8
285.12305	99.6
286.12631	3.6
313.11783	0.9
315.13348	6.3
316.14053	0.7
317.14923	94.6
318.15305	2.9
331.12842	1.2
345.14459	2.7
357.11984	0.5
385.13742	0.4
444.19403	0.9
456.15524	0.6
456.21591	0.9
488.18109	4.0
569.23541	0.5
585.27063	1.7
597.23169	0.6
629.26013	6.0
661.27899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.2
81.07071	0.6
85.02892	0.5
91.05489	0.5
95.08633	0.5
125.14772	0.5
138.26624	0.5
148.72623	0.5
177.05499	0.6
221.77858	0.4
243.08395	1.2
245.68546	0.5
443.24005	2.4
463.30591	0.9
464.30841	1.0
499.20096	0.6
499.26379	3.1
559.21735	0.9
619.23981	1.6
629.22473	1.3
633.32385	1.6
661.31995	100.0
662.32501	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	661.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11158	1.4
69.11578	1.7
83.14129	0.4
95.04967	0.7
96.39722	0.4
103.19030	0.4
107.08597	0.5
109.30867	0.5
125.09736	0.5
143.51151	0.4
154.05132	0.5
164.75539	0.4
208.09769	0.5
243.08582	0.9
243.11351	0.5
279.48334	0.4
285.12375	1.0
313.42090	0.5
317.15088	0.9
364.30112	0.4
382.95288	0.5
405.57697	0.4
425.23141	0.7
443.23990	3.5
454.20190	0.5
481.25613	0.7
499.26645	4.8
555.10138	0.5
633.32782	0.5
643.20367	1.2
643.30640	0.8
661.31897	100.0
662.32422	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	662.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	1.2
55.01867	1.0
55.05502	4.0
57.03431	5.6
57.07069	0.8
59.04975	0.8
61.02917	2.7
65.03931	3.0
66.03025	0.5
67.05505	3.4
69.03429	9.6
69.07060	2.8
70.20689	1.2
71.01346	1.0
71.04989	0.6
73.02913	11.6
73.03292	1.0
77.03918	1.9
77.28497	0.5
79.05489	14.8
81.03407	1.7
81.07050	5.3
83.04977	1.2
85.02896	12.5
85.51719	0.5
90.52586	0.5
91.05476	17.5
93.03420	0.6
93.07037	82.2
94.07371	1.4
95.04961	11.4
95.08612	4.2
97.02881	12.7
97.03480	0.7
97.06519	4.4
99.04441	0.8
105.04511	2.3
105.07024	6.3
107.08584	100.0
108.08916	2.2
109.02860	1.6
109.06519	3.3
109.10145	3.3
110.03643	0.8
111.04440	1.2
111.08055	0.7
115.03924	8.4
119.06071	1.9
119.08578	2.4
121.06561	0.8
121.10136	1.3
123.04429	3.5
125.02333	1.0
125.05950	0.8
127.03894	4.8
131.08536	0.9
133.04987	2.7
133.10114	1.6
135.11679	90.7
136.12032	2.4
140.04666	19.6
141.04961	0.5
145.04913	3.7
147.11678	2.0
153.05449	1.7
153.12724	5.7
155.07043	9.9
155.08383	0.9
157.10147	0.9
157.12268	0.8
159.11693	1.0
163.06000	1.5
171.06503	1.6
171.11613	0.6
173.08139	0.8
177.12695	1.0
181.04936	39.5
182.05234	0.8
199.06003	18.6
200.06487	0.7
211.05873	0.7
223.06010	0.9
231.13736	1.0
241.07040	1.4
249.14871	0.9
259.08133	1.6
261.14728	1.1
267.15753	1.2
279.15607	0.6
295.10471	0.7
297.16803	0.7
315.17853	1.0
319.22589	0.7
333.16895	9.3
334.16898	0.8
400.15543	0.5
470.64548	0.6
662.26477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	33.5
57.03435	13.1
57.07090	7.3
67.05503	100.0
69.07064	42.0
70.66954	7.2
77.03905	7.5
79.05487	84.3
81.07051	88.4
83.04971	12.0
83.08615	16.4
87.04485	10.1
91.05477	60.7
93.07043	79.0
94.92221	6.3
95.04972	12.7
95.08587	52.6
97.06517	12.3
97.10155	19.9
105.07020	59.8
107.08578	52.3
109.10145	32.5
110.13341	8.0
111.06621	7.2
117.07051	16.1
119.08557	38.6
121.10151	39.3
125.09688	10.2
131.08566	32.6
133.10152	27.3
135.11763	17.1
145.10139	21.2
147.11668	17.3
149.09593	12.2
149.13272	12.0
159.11714	15.4
161.13303	12.7
163.11099	6.7
171.41730	9.0
173.13319	14.0
179.14162	6.9
189.11238	7.8
190.07478	6.7
227.12772	19.0
237.15891	7.0
239.17940	6.9
261.22144	9.4
275.19922	40.0
335.25748	75.3
349.23669	32.9
353.94250	6.4
450.22769	9.1
489.35757	15.3
505.35367	8.6
601.91595	7.4
609.44727	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54375	1.9
53.03943	3.4
53.93161	2.3
55.01869	5.5
55.05255	3.7
55.05509	28.5
57.03442	13.1
57.07072	4.6
65.03935	4.6
67.05500	100.0
69.03421	3.5
69.07069	24.9
71.04974	5.1
79.05490	87.9
81.03426	3.4
81.07053	91.9
83.04982	7.4
83.08611	14.0
85.06560	3.2
87.04488	6.5
91.05479	65.9
93.07040	80.5
95.04970	15.9
95.08604	54.4
97.06530	10.1
97.10159	4.4
99.08141	2.7
105.04522	5.3
105.07027	44.2
107.04937	5.5
107.08582	43.6
109.06501	5.2
109.10129	21.1
109.10658	1.8
111.08092	2.8
115.68610	2.3
117.07008	18.9
119.08573	30.5
121.10132	25.4
123.08060	4.4
123.11726	6.9
125.09631	2.3
129.07051	3.2
131.08569	23.3
133.10104	24.0
135.08026	2.6
135.11674	18.7
137.09595	4.0
143.08536	2.7
144.09351	2.7
145.10115	18.9
147.11707	11.0
149.09650	5.1
149.13231	11.9
159.11641	13.3
161.13292	4.3
163.11140	3.5
163.14682	2.7
169.10103	2.5
171.11832	3.3
173.13287	7.6
185.13208	3.8
195.13750	5.3
239.18057	2.9
247.20581	2.7
255.15831	5.7
257.19012	6.2
261.22061	5.1
269.17413	8.5
275.20062	16.4
335.25772	59.6
349.23770	11.9
515.37714	12.9
529.38824	50.8
530.38837	2.7
569.41876	7.9
609.44971	8.8
627.45758	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05508	54.3
57.03434	10.6
57.41058	3.0
67.05505	73.9
69.03431	3.7
69.07071	20.4
69.16614	15.7
69.17018	5.2
79.05486	72.7
81.07054	57.0
83.08605	24.9
87.04446	7.9
91.05467	35.8
93.07050	51.4
95.04955	3.9
95.08604	34.1
97.10162	52.0
101.09676	3.7
105.07037	33.9
107.08588	61.6
109.06476	6.3
109.10160	13.3
117.07034	8.7
119.08590	21.6
121.10104	16.6
123.11696	6.0
125.09631	44.1
131.08549	12.0
133.10104	20.2
135.08061	8.9
135.11700	16.0
145.10107	16.9
147.11716	14.7
149.09671	4.8
149.13275	6.1
159.11748	9.8
171.11571	4.6
173.13280	4.8
189.11197	28.2
195.39896	3.8
227.12781	100.0
233.19276	3.6
257.18930	9.4
261.22208	11.4
275.20084	27.5
335.25748	38.3
349.23584	30.3
375.93842	3.5
505.34979	10.4
609.45129	26.6
610.44629	3.7
662.23651	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	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96425	1.0
63.23433	1.2
65.79288	1.0
67.05492	3.9
69.31553	1.1
70.50333	1.7
81.03388	1.4
82.91607	1.2
91.05476	9.3
93.07066	5.8
94.06557	3.9
95.04971	3.9
95.08610	2.0
105.04488	2.2
105.07018	2.6
108.08095	2.2
111.08076	5.4
120.08095	1.6
121.06515	2.5
122.02337	2.0
122.06006	7.4
124.07554	1.3
134.09637	3.9
134.92902	1.1
135.08061	2.7
136.07578	6.1
137.05957	1.2
140.07048	1.6
148.07526	1.4
151.70082	1.0
152.10706	2.1
154.04997	2.6
158.09706	1.2
160.07501	2.0
162.09142	37.7
171.09145	1.6
173.10750	1.4
175.08705	1.3
180.10190	28.0
181.10608	1.0
187.08612	2.3
188.09293	1.5
189.10231	1.7
190.08629	4.2
197.10672	1.4
199.08685	3.4
201.06561	1.7
201.10223	11.7
201.45210	1.2
203.06700	1.9
204.06563	2.0
206.08272	1.6
208.09680	47.9
209.10237	1.6
211.08669	1.4
213.10246	3.9
214.10913	1.5
215.08168	10.3
215.11743	2.7
216.08885	6.0
223.08617	1.4
225.10251	4.4
227.08144	5.4
227.11726	1.9
228.08652	1.8
229.09708	12.4
237.10138	1.8
239.11903	1.5
241.09709	7.3
241.13489	1.4
243.11377	5.6
251.08267	1.6
251.11780	3.6
253.09702	5.0
255.11247	2.3
261.12326	3.1
263.11813	1.8
265.09683	4.6
267.11331	3.1
269.09109	1.3
269.12909	2.2
271.10678	2.8
273.12323	28.8
275.13870	10.4
278.10434	1.7
279.11157	2.9
283.10767	1.7
285.12256	1.6
289.11890	1.4
293.09082	3.2
293.12427	1.6
294.09811	1.8
295.10709	2.6
297.12256	3.4
299.13843	2.2
301.11887	12.2
301.15170	1.4
302.12482	4.2
303.13367	27.2
309.12366	3.4
313.11905	2.7
317.15320	1.3
323.13940	2.3
325.11920	2.7
325.15485	1.7
327.13361	11.0
328.14026	2.1
331.13025	1.4
333.14386	32.4
334.15039	2.6
335.15982	18.7
339.13315	15.1
355.13101	1.6
359.15924	1.6
367.12827	9.8
368.13303	1.9
369.14508	4.4
371.16010	1.3
385.13647	1.3
387.15695	2.4
399.15494	4.4
400.16327	3.2
401.17209	1.4
424.18536	7.5
456.21268	100.0
457.21686	6.9
458.16959	1.7
459.17682	1.9
465.13840	1.1
482.23386	1.2
490.19662	1.4
492.21307	2.7
506.22897	4.2
508.20718	14.3
509.20871	1.5
510.21805	2.2
517.16711	3.1
517.23798	1.5
522.22205	1.6
523.21368	2.0
524.23499	3.3
540.23492	13.0
559.24951	6.5
599.24792	8.7
603.24133	5.3
613.26514	2.0
619.23511	5.0
631.27124	3.2
645.29797	5.5
663.31317	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	663.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29049	0.3
60.40334	0.3
60.49898	0.2
69.08335	2.0
69.08664	0.4
71.84105	0.2
71.84613	0.2
88.03761	0.3
98.23432	0.5
149.02412	0.3
153.00465	0.2
175.96471	0.2
190.31371	0.2
209.23170	0.3
217.20174	0.3
243.08450	0.7
309.58823	0.3
413.17776	0.4
445.25558	1.2
491.22302	0.3
501.28241	2.3
631.21997	0.5
635.34058	0.6
663.33441	100.0
664.33801	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	664.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.07075	66.0
67.05506	2.1
69.03416	1.0
69.07058	0.9
71.04993	7.2
71.08618	1.4
73.02914	1.2
73.06555	2.7
73.87366	0.7
79.05476	2.0
81.07045	0.8
83.08644	0.9
87.04469	21.1
89.06030	100.0
91.05473	7.7
92.93549	0.8
93.07041	7.2
95.04976	4.2
95.08598	1.8
96.08110	0.9
103.05462	2.0
104.63686	0.7
105.04517	1.2
105.07022	3.2
107.04945	1.2
107.07063	1.8
107.08615	3.5
109.06518	1.7
111.68290	0.7
112.07635	1.2
113.13293	1.6
117.07006	2.7
117.09149	1.5
118.07807	5.6
119.04959	4.2
119.08580	5.2
120.31655	0.8
121.06505	24.8
121.10126	1.9
123.08070	1.7
130.08630	1.2
131.07027	9.1
133.08600	65.7
133.10172	1.7
135.08061	5.0
135.11714	1.8
140.06110	0.9
144.09337	0.8
145.10159	1.4
147.08041	12.9
149.09584	5.1
150.06732	4.2
159.11705	2.1
161.09537	1.0
163.07518	1.1
163.11205	2.5
165.09109	10.8
167.10664	2.4
173.09674	0.9
175.09686	5.6
175.11020	1.3
177.11224	26.7
177.12708	2.6
191.10579	4.1
193.12183	1.0
209.11679	4.6
211.13322	3.2
217.12085	0.8
219.12233	1.1
221.13844	6.0
231.17314	1.0
233.18982	20.2
235.13359	3.0
239.14786	1.2
253.14403	1.5
255.15880	2.5
259.20660	3.4
265.16556	1.2
277.10593	0.7
277.21622	32.7
279.15829	1.0
283.17490	1.8
299.18326	1.1
303.23221	2.7
309.19199	0.9
321.24207	8.6
327.20004	1.0
330.14008	0.8
335.25748	1.1
359.20474	0.8
414.01825	0.8
535.31396	4.7
647.43488	12.0
664.45355	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	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00136	0.2
52.64870	0.2
53.03932	0.3
55.01856	0.4
55.05507	1.1
57.03433	1.3
59.25655	0.2
61.02927	3.4
67.05503	4.1
69.03426	2.2
69.07063	1.6
71.04984	0.7
73.02911	2.7
79.05477	2.0
81.03410	1.3
81.07054	6.2
83.04971	0.4
83.08607	1.3
84.11115	0.3
85.02905	4.0
85.06551	0.4
91.03944	2.2
91.05499	1.2
93.07032	4.5
93.10825	0.3
95.04983	0.8
95.08617	1.4
97.02886	3.0
97.06527	1.0
99.04451	0.8
101.02372	1.9
105.07040	0.5
107.08572	2.5
109.02878	0.6
109.06525	0.6
109.10168	0.4
111.08073	0.6
111.11716	0.3
115.03947	0.3
117.07021	0.7
117.27198	0.3
119.08624	0.3
121.06513	0.3
121.10135	2.0
127.03911	1.4
131.08591	1.0
133.10144	0.7
135.11713	1.0
145.10106	0.3
149.13252	3.0
159.11719	1.6
177.12849	0.6
185.04268	0.4
195.13782	0.7
198.83948	0.2
203.05397	0.3
203.59795	0.2
235.13089	1.5
243.08377	1.7
269.17615	0.8
277.47855	0.3
291.15768	0.9
453.20972	13.9
454.21396	0.8
567.97662	0.3
585.34857	0.3
665.34991	100.0
666.35406	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.03435	1.7
61.02931	4.4
67.05502	5.0
69.03428	2.9
69.07067	1.8
69.24052	0.7
69.24467	2.3
71.01354	0.5
71.04980	0.6
73.02917	3.5
79.05494	2.3
81.03421	1.7
81.07060	7.2
82.00591	0.4
83.05009	0.6
83.08619	1.3
85.02905	5.4
91.03954	3.3
91.05478	1.9
93.07044	5.1
95.04995	1.3
95.08606	1.9
97.02892	3.7
97.06544	0.8
99.04459	1.0
101.02381	1.8
103.03970	0.5
105.07042	1.4
107.08582	3.5
109.10138	0.7
117.07033	1.0
119.08572	0.8
119.99676	0.4
121.10153	1.7
123.11736	0.7
127.03918	1.4
128.35960	0.4
131.08569	0.9
133.10121	1.7
133.98981	0.4
135.11716	1.4
145.10196	0.5
147.08035	0.4
149.13258	2.0
159.11707	1.2
167.10689	0.4
185.04291	0.6
195.13864	1.7
206.73267	0.4
221.15190	0.6
235.13132	1.8
243.08414	2.6
257.07312	0.4
269.17502	0.8
291.15833	0.5
453.20975	16.0
454.20819	0.7
461.70520	0.4
547.91669	0.5
665.35010	100.0
666.35321	9.4
666.45850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68269	0.3
55.01874	0.4
55.05510	1.2
57.03436	1.3
61.02923	4.6
67.05500	5.7
69.03431	2.3
69.07063	1.7
71.04993	0.8
73.02921	2.9
79.05493	2.9
81.03404	1.6
81.07057	6.7
83.04974	0.6
83.08629	1.2
85.02901	4.3
91.03945	2.5
91.05481	2.1
93.07039	5.1
95.04998	1.0
95.08589	1.6
97.02899	3.7
97.06525	0.8
99.04463	1.0
99.08131	0.4
101.02380	1.4
105.07028	0.8
107.08595	2.7
109.02868	0.6
109.10178	0.6
111.08109	0.7
117.07024	1.2
119.08561	0.4
121.06548	0.4
121.10160	1.3
123.08108	0.5
123.11720	0.5
127.03932	1.4
131.08583	1.3
133.10135	1.2
135.11731	0.8
143.08652	0.4
149.13234	2.2
151.11174	0.4
159.11752	1.3
177.12769	0.4
185.04173	0.5
195.13875	1.1
203.05336	0.4
207.13820	0.4
235.13074	1.9
243.08398	1.7
269.17548	0.7
291.15735	0.5
296.55823	0.4
453.14575	0.7
453.20938	13.6
454.21219	0.8
480.40198	0.3
652.71368	0.3
665.34998	100.0
666.35321	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	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85967	0.3
53.03955	0.3
54.08467	0.2
54.93222	0.2
55.05504	0.8
57.03445	1.5
61.02927	3.4
63.64985	0.3
67.05505	2.8
69.03436	1.9
69.07057	0.9
71.01337	0.4
71.04993	0.5
71.42470	0.3
73.02911	2.8
79.05482	2.3
81.03425	1.2
81.07054	4.7
83.04990	0.5
83.08612	1.3
85.02896	3.1
85.06545	0.4
87.04477	0.3
91.03947	2.5
91.05487	2.0
93.07036	3.3
94.87485	0.3
95.04958	0.5
95.08598	1.4
97.02888	2.8
97.06528	0.4
99.04449	0.8
101.02385	1.3
102.97595	0.2
103.03939	0.6
105.07022	0.8
107.08578	1.9
109.02889	0.5
109.06537	0.5
109.10158	0.4
111.08089	0.8
117.05526	0.3
117.07021	0.8
119.08578	0.3
121.10120	1.4
123.11656	0.3
127.03892	1.3
131.08588	0.9
133.10123	1.2
135.11713	1.0
145.04919	0.3
147.11734	0.2
149.13261	1.9
159.11754	0.8
177.12794	0.6
185.04224	0.8
195.13905	1.6
199.67767	0.2
203.05162	0.5
235.13046	2.2
243.08328	2.1
269.17419	1.6
291.15662	0.9
294.73053	0.3
319.18130	0.2
404.22552	0.3
421.87451	0.3
453.20932	17.5
454.21289	1.0
503.29675	1.2
665.34985	100.0
666.35388	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	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05511	0.7
55.91282	0.3
57.03435	0.8
61.02929	2.6
67.05507	2.7
69.03426	1.9
69.07060	0.9
69.95760	0.8
71.04984	0.4
73.02899	1.9
74.86028	0.3
79.05492	1.8
81.03413	0.4
81.07047	3.5
83.08623	0.7
85.02904	2.5
91.03952	1.5
91.05476	1.1
93.07043	2.7
95.04948	0.5
95.08607	1.0
97.02891	2.2
97.06541	0.6
99.04459	0.4
99.39303	0.3
101.02382	0.7
103.03934	0.6
105.07027	0.4
107.08617	1.4
108.11082	0.4
109.02882	0.4
109.06513	0.6
109.80956	0.4
117.07057	0.6
119.08624	0.6
121.06526	0.4
121.10125	0.8
127.03953	0.8
131.08557	0.5
133.10159	0.6
135.11656	0.8
149.13275	1.5
159.11716	0.7
185.04303	0.5
195.13818	1.1
202.35043	0.3
207.11632	0.3
235.13089	1.5
243.08327	2.0
269.17563	1.1
291.15750	0.5
453.14569	0.8
453.20880	12.7
454.21390	0.9
503.29855	0.9
665.34991	100.0
666.35352	6.7
667.36096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05517	0.5
57.03426	0.8
65.03947	0.7
67.01861	0.6
69.03421	2.3
69.32445	2.3
70.06574	2.3
71.04991	9.0
81.03418	3.5
81.07058	0.6
81.62975	0.5
83.04967	0.6
85.02894	11.2
86.09686	0.5
87.00827	1.2
91.05474	12.2
95.08582	0.9
97.02882	4.5
99.04439	1.1
105.01853	0.8
105.07061	0.5
107.08589	0.7
109.02872	5.7
109.10126	0.8
109.88368	0.5
111.04389	0.9
119.04935	17.1
121.02837	1.6
127.03905	5.2
129.05463	1.9
132.08098	0.5
137.22093	0.5
146.08076	0.6
146.84349	0.5
147.04391	100.0
148.04720	1.7
152.09029	0.5
159.09093	0.7
165.05467	6.8
169.01839	0.5
209.09563	1.0
213.03947	0.9
231.05003	0.8
239.16307	0.7
255.06439	0.9
273.07434	0.7
291.08704	1.2
385.30063	0.6
395.09705	24.8
396.10086	1.1
485.14612	1.1
541.15155	0.7
666.36499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01872	3.1
55.05509	10.8
57.03439	3.0
57.07069	3.5
65.03938	1.8
67.05501	36.6
69.03421	12.7
69.07071	7.2
69.65740	5.1
71.04992	14.7
79.05492	27.3
81.03407	17.9
81.07049	27.0
83.04977	6.0
83.08633	3.1
85.02891	8.6
85.06537	63.0
88.33978	1.4
91.05476	24.3
93.07034	30.2
95.04967	9.0
95.08611	15.4
97.02879	7.4
97.06510	3.6
99.08072	4.0
105.07015	23.3
107.04955	5.6
107.08597	20.9
109.02888	4.6
109.06513	2.8
109.10159	7.3
111.04430	6.2
117.06995	9.2
119.08594	13.9
121.06489	6.2
121.10135	18.6
123.04377	2.1
123.08022	1.8
123.11671	3.5
125.06009	2.9
127.03916	2.8
128.06198	2.0
129.07008	6.3
130.07782	1.6
131.08565	38.7
133.06523	1.6
133.10136	8.5
135.04475	1.4
135.08009	2.0
135.11682	7.0
137.09654	3.1
142.76183	1.6
143.07054	1.8
143.08585	4.2
145.06580	1.7
145.10112	24.8
147.08040	6.0
147.11720	4.8
149.05998	1.4
149.09608	29.2
149.13194	2.2
151.07585	1.9
155.07095	1.6
155.08557	3.8
157.10117	3.3
159.11703	4.9
161.13292	3.5
162.72621	1.5
163.07553	1.9
163.11189	12.5
163.14742	1.7
165.09099	6.9
166.22701	1.3
167.10648	20.7
169.10167	2.1
171.11690	1.7
173.09610	4.5
173.13242	3.7
178.46826	1.3
183.11717	1.5
185.13184	1.9
187.14833	2.0
191.10664	46.3
209.11699	72.3
227.12755	100.0
228.13171	2.4
246.53935	1.4
261.22186	3.3
273.22437	1.9
277.21625	2.0
301.21603	2.6
303.23340	3.3
317.13770	2.6
369.24316	6.2
387.25204	6.6
405.26108	5.3
648.45074	1.9
666.33337	2.9
666.45514	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	667.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44452	0.7
53.21050	0.6
57.03443	1.2
67.05495	0.7
67.94061	0.6
69.03420	0.7
69.58106	3.3
70.06567	0.6
73.02908	0.8
79.05489	1.3
81.03391	0.9
81.07059	1.1
82.26201	0.6
83.39733	0.6
85.02901	2.1
93.07030	1.8
95.04948	0.6
95.08591	0.9
97.02911	1.2
97.06520	0.8
98.23434	0.7
99.13689	0.6
105.01880	1.0
105.07003	1.0
107.08593	1.1
121.10122	0.7
127.03934	1.1
201.03760	0.9
203.05299	1.2
226.95853	0.7
230.82846	0.7
260.09940	0.8
306.34109	0.7
317.08551	1.2
333.07904	71.9
334.08218	0.9
335.09433	16.4
335.13275	1.1
457.01230	0.8
469.20477	9.4
518.44623	0.7
524.92957	0.7
666.38672	3.3
667.25641	100.0
667.37915	3.5
668.26239	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	667.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
63.55274	0.4
67.05485	2.3
69.07077	0.7
70.69545	0.6
74.30943	0.7
78.03482	0.5
79.05484	2.7
81.07047	2.5
91.05495	2.3
93.07032	2.9
95.04967	0.6
95.08646	1.2
105.07038	1.3
107.08604	1.2
119.08611	1.2
131.08633	0.6
133.10133	0.9
176.11571	0.6
177.49977	0.5
197.94460	0.5
288.67838	0.5
295.00912	0.5
299.19989	0.6
317.20908	4.6
373.23489	5.2
382.63745	0.6
398.89243	0.6
445.26016	0.7
462.92081	0.5
667.45380	100.0
668.45764	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	668.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.7
70.06594	1.5
70.55900	2.3
70.56237	1.2
81.03412	1.7
84.76114	1.0
85.02917	5.4
85.59045	1.0
86.09697	1.8
91.05483	2.9
94.04202	1.3
97.02907	2.4
103.05476	3.9
105.07037	3.4
109.06500	1.2
115.05456	1.5
118.82032	1.0
119.04959	4.0
122.03666	2.7
123.04372	1.2
131.04904	6.5
133.06491	2.4
133.10094	1.4
137.05972	77.9
138.06348	1.3
145.06429	1.3
147.04410	6.5
148.04938	1.1
149.05933	1.9
150.06763	1.3
151.03911	13.7
151.05025	1.7
155.04916	2.7
158.03654	1.8
161.05963	9.2
162.06718	1.6
163.03923	2.8
163.07532	5.1
173.05928	2.9
175.03835	1.7
177.05533	2.4
177.07043	2.3
181.04912	1.6
183.04454	1.9
186.03139	4.4
187.07581	1.3
189.05464	12.0
189.06996	2.0
194.07204	1.8
198.70293	1.1
200.04686	3.8
201.05444	37.9
203.06987	1.6
205.06442	8.8
206.07329	2.5
207.06516	8.8
210.26404	1.1
213.05461	3.7
215.07013	14.5
217.06458	2.4
218.07153	1.4
219.08051	1.3
222.06779	4.2
223.07439	1.1
231.06422	2.2
233.05971	9.4
234.06776	11.9
235.07521	2.6
237.09128	8.0
245.05930	2.2
246.06810	2.9
247.07555	2.3
248.08441	1.1
249.05486	1.3
249.09145	3.8
250.06265	6.8
251.06924	2.2
257.05737	1.2
261.05331	2.4
261.09189	2.7
262.06284	11.5
263.06995	2.5
264.07819	2.9
265.08575	18.1
266.09271	2.6
267.06424	1.9
273.05490	2.6
274.06418	2.5
276.07883	1.5
277.04565	1.3
277.05618	1.6
277.08575	13.3
278.05768	3.2
278.09244	1.9
279.06427	2.7
279.10126	2.3
282.08875	2.4
287.06921	1.4
289.08578	1.7
290.05701	19.0
292.07297	8.1
293.08041	19.4
294.08850	3.7
295.06018	1.6
297.07910	1.2
297.11206	4.3
305.08054	32.6
305.11642	1.5
306.08527	1.9
307.06247	1.7
307.09613	24.7
309.11185	2.0
310.08405	1.7
311.12839	1.5
319.09708	2.3
321.11234	9.7
322.08353	4.2
323.07733	5.2
325.10681	100.0
326.10999	6.1
337.10672	64.2
338.10858	3.1
339.12268	40.3
339.16513	1.4
355.11746	27.8
356.12274	2.1
517.16583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08463	3.0
76.71609	0.3
133.98433	0.4
197.43066	0.4
315.13678	0.4
377.17676	0.9
378.18253	0.5
379.19159	1.0
390.18146	0.6
391.19382	1.9
392.20108	1.1
393.20911	1.8
404.20673	0.5
405.16437	2.6
405.21713	0.7
406.17767	1.3
407.17908	0.9
407.22742	4.9
408.22983	0.8
418.17410	0.8
419.18353	3.7
420.18970	2.2
421.20224	4.0
423.21542	1.0
433.15628	0.9
433.20685	4.3
434.21286	4.0
435.21887	9.3
436.22665	0.8
447.18112	2.5
447.22870	1.1
448.18652	1.3
449.19681	5.9
459.21881	0.8
461.19040	0.8
462.20319	3.3
463.21262	4.2
464.22086	1.3
475.21405	2.1
479.20807	0.5
481.21259	0.5
489.22833	1.1
491.20807	0.5
493.22406	0.5
507.19958	0.8
509.21619	0.8
521.25787	10.3
522.23199	1.2
535.23181	1.0
547.27197	0.9
549.24921	23.1
550.25391	1.7
567.22705	0.6
577.24615	0.9
581.27753	4.5
582.28137	0.6
605.23938	0.8
609.26996	14.5
610.27252	1.4
669.29126	100.0
670.29462	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	669.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66570	0.9
53.10812	1.1
67.05500	1.5
69.61288	1.0
71.43116	1.0
94.06525	1.1
98.30389	1.1
111.44165	1.0
146.06029	1.2
166.04979	2.0
166.77110	1.3
172.03993	2.1
178.05032	1.8
196.06056	3.8
204.06580	2.0
206.08290	1.1
210.07664	3.2
210.11433	2.2
212.09439	1.6
223.08618	1.3
224.09479	2.0
225.10239	2.4
225.13890	4.4
235.08611	4.5
235.12358	1.6
236.09453	2.0
237.10304	4.1
238.11015	3.4
239.11832	4.0
240.12564	3.5
241.13454	1.4
249.10211	9.4
250.10989	1.4
251.08209	2.2
251.11844	3.4
253.13365	14.6
265.09717	1.9
268.12216	1.2
277.06909	2.1
277.09589	7.6
278.10455	2.6
279.11307	2.1
290.12527	1.4
305.09131	3.1
310.12900	1.4
313.12073	1.3
314.12759	1.2
327.13770	2.2
334.23776	1.9
337.11731	14.3
340.10788	2.1
340.14417	1.6
354.12329	2.2
360.17017	1.8
368.13983	2.0
369.14716	2.4
382.11679	1.3
384.17078	3.2
386.18625	3.7
389.13882	1.1
390.14343	1.3
397.13934	3.5
398.06415	1.3
400.16730	1.6
402.18097	2.6
405.16895	2.1
412.16528	28.4
417.12708	1.8
419.18896	2.3
428.15860	3.7
430.17700	2.3
431.14981	2.9
432.15741	5.1
433.16504	3.6
434.21143	1.5
444.19174	34.2
447.18018	7.4
459.18466	1.8
461.20303	6.0
462.20587	6.2
463.21255	2.1
473.15729	2.4
475.17352	4.5
475.22098	2.8
476.22211	5.6
487.17419	3.0
488.18042	2.0
489.18533	3.0
490.20142	2.3
491.20877	1.7
501.15393	1.6
502.19766	3.3
503.20853	5.9
507.20078	1.4
515.17010	1.5
517.22083	4.9
519.20325	1.7
530.19293	2.3
531.20728	1.5
534.23053	2.4
545.21649	5.6
547.19647	3.7
548.20514	2.3
549.25281	9.2
562.22015	1.7
577.24432	100.0
578.24725	7.3
587.22198	1.5
593.27228	2.5
595.25446	3.2
605.23914	66.8
606.24414	5.1
609.26947	4.7
619.25568	1.4
623.25000	1.5
637.26550	76.4
638.26636	6.6
651.27234	1.2
669.29230	28.5
670.29828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2916
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.85457	0.6
67.05518	1.0
68.86540	0.7
70.06573	1.1
71.43079	0.5
74.81367	0.5
75.04488	0.7
77.93197	0.5
79.05528	0.6
81.07052	0.7
86.06055	1.1
88.81593	0.6
93.07040	0.6
96.42728	0.6
98.06078	0.9
116.82777	0.7
140.47092	0.5
142.40108	0.5
151.60437	0.6
178.72000	0.6
185.53047	0.5
191.25310	0.5
234.12531	0.5
377.17719	1.1
391.19699	0.9
392.20041	0.8
393.20770	3.6
401.17715	0.7
405.17133	1.8
406.17596	0.8
407.18723	0.8
418.17709	0.8
419.18515	4.1
420.19467	3.0
421.20200	5.2
432.19315	0.6
433.21021	2.9
434.21542	0.8
435.17816	1.0
445.20285	1.2
446.17020	0.7
447.17535	2.8
448.18497	2.9
449.19641	5.3
461.19775	2.4
462.20590	1.2
463.21552	1.6
473.19998	1.2
475.21619	1.0
476.18396	1.7
477.19025	2.7
489.18848	1.1
490.19934	0.9
491.20847	2.0
503.20871	1.9
507.24548	4.9
509.21866	0.9
521.25916	0.7
522.22333	1.1
535.23364	10.8
536.23969	1.0
549.25122	3.5
550.25781	0.7
559.23810	1.6
563.22821	16.0
564.23395	1.2
567.26550	0.8
577.24347	3.9
578.25415	1.1
579.25909	1.5
581.27576	1.5
593.46063	0.7
595.25647	3.6
609.26953	5.2
619.25000	0.8
623.24915	5.7
637.26697	3.3
641.29614	2.1
650.46082	0.8
669.29114	100.0
670.29480	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	669.2917
Annotation	Agrimol G
Peak:m/z	Relative Intensity
67.05510	0.6
70.06584	0.6
80.30053	0.5
91.05497	0.5
149.72345	0.5
177.10841	0.5
181.39238	0.5
271.04904	0.6
320.30164	0.5
377.17493	0.9
379.19315	0.6
391.19226	1.3
392.20279	1.1
393.20972	1.1
403.19058	0.6
404.20850	0.5
405.16489	2.7
406.17352	0.6
406.22086	0.9
407.22662	3.5
408.22568	0.5
418.17712	1.4
419.18054	3.9
419.23557	0.8
420.19717	1.7
421.20410	3.5
433.20276	12.0
434.21063	5.0
435.21909	5.9
436.22656	1.7
446.21426	1.2
447.21808	2.0
448.22729	0.9
449.19620	6.3
450.20267	0.8
461.19171	0.7
462.20190	1.2
463.21176	4.5
464.21930	0.9
475.21579	1.2
493.22855	2.3
495.23749	1.1
496.25183	0.6
505.22849	1.1
507.19946	1.1
508.22198	0.7
509.21741	1.3
520.25000	1.1
521.26050	7.0
522.22351	3.8
523.23041	3.6
535.23529	1.5
549.25018	5.3
565.24677	1.2
567.22900	1.5
577.24078	1.2
579.26288	0.7
580.27112	1.4
581.26910	2.2
591.26331	0.6
609.27026	15.8
610.27191	0.9
637.26678	2.8
669.29126	100.0
670.29480	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	669.292
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08113	0.5
67.05498	0.8
71.43571	0.5
71.44035	0.6
79.05511	0.5
83.08617	0.7
132.76041	0.5
153.40372	0.6
166.93445	0.5
265.09708	0.6
283.18521	0.6
377.17645	1.1
390.18860	0.6
391.14819	0.7
391.19376	1.3
392.19785	0.8
393.21185	0.9
405.16998	2.2
405.21066	1.8
406.17627	1.0
407.17987	0.6
407.22623	4.0
418.17783	1.3
419.18506	3.7
420.19537	1.9
421.20370	3.1
423.21567	0.8
433.20364	13.3
434.21240	5.2
435.21875	5.8
436.22336	0.8
446.21472	0.9
447.22052	1.7
448.18799	0.8
449.19550	6.7
462.20413	0.8
463.21396	3.2
464.22116	1.2
465.23123	0.9
473.19763	0.6
493.22656	1.1
495.23895	1.0
499.51306	0.6
505.22333	1.1
506.23080	0.6
507.20090	0.9
508.21136	0.7
509.21533	1.2
520.25085	0.9
521.26263	6.0
522.22247	3.4
523.23199	2.8
535.23627	2.0
536.24133	0.7
549.24835	4.0
550.24860	0.7
565.24567	0.7
567.22943	1.1
577.24066	1.1
579.25983	0.7
580.26617	1.2
581.27252	1.8
594.23395	0.7
609.27057	14.9
609.36920	0.7
610.27289	1.6
637.26544	5.1
669.29114	100.0
670.29645	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	670.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01870	8.9
55.05510	2.8
57.03437	7.7
61.02916	6.4
67.05497	3.1
68.99789	5.7
69.03425	41.2
69.15369	1.2
69.15779	3.0
71.01373	3.3
71.01704	0.7
71.04987	4.5
73.02911	6.0
75.04456	0.7
79.05489	1.7
81.03412	44.7
83.01346	2.1
83.04978	9.1
85.02899	93.0
86.03201	0.9
87.00824	38.1
87.04443	1.2
91.03928	1.7
91.05485	1.3
95.01300	1.2
95.04958	5.1
97.02888	44.6
98.23419	1.6
99.00874	0.7
99.04457	15.3
101.02377	2.1
103.03938	7.2
103.14020	0.8
105.01860	38.0
108.04498	0.7
109.02872	62.9
111.00809	1.1
111.04440	8.1
113.02341	1.8
115.03919	2.0
117.01840	2.4
118.02234	0.7
119.04968	0.8
121.06477	1.5
121.72723	0.8
123.04436	8.5
125.02348	5.8
127.03906	100.0
128.04225	1.1
129.01830	4.4
129.05496	1.7
135.04422	1.1
137.05920	1.4
139.03891	3.3
141.05405	1.0
145.04947	20.1
147.02895	3.4
147.04405	2.3
147.06497	1.7
149.02351	1.0
150.73070	0.9
151.03894	9.3
151.11104	0.8
153.01801	1.2
159.02885	9.8
161.05901	0.8
163.03899	1.9
164.04694	1.0
165.05452	4.4
169.04956	13.0
171.02863	4.5
175.03922	2.1
177.03955	1.0
177.05440	0.7
181.04935	2.0
187.06000	9.4
189.02306	1.3
189.03931	19.8
189.05466	1.1
193.04951	9.7
195.02811	0.9
202.49744	0.7
205.05055	0.8
211.05968	3.3
213.03929	17.3
215.05359	1.1
217.04942	2.6
229.03429	1.1
229.07042	1.3
231.04977	26.2
233.06516	2.7
235.06061	5.4
245.06619	1.1
249.06050	5.9
253.07011	3.2
255.04997	5.4
269.06668	0.9
273.06024	57.9
274.06342	1.9
285.06021	1.2
291.07159	1.7
297.05972	2.9
315.07080	7.9
321.05939	2.3
333.08115	1.4
339.06989	7.8
339.10724	1.0
357.08051	5.5
375.09003	0.9
425.06857	0.9
443.08176	6.1
461.09177	5.6
479.09897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89294	3.2
55.05505	29.4
57.03426	10.7
57.07072	18.0
61.02922	36.9
67.05507	42.9
67.53509	3.2
67.86011	3.3
68.45444	3.1
69.03417	4.0
69.07063	50.7
71.04987	3.9
71.08617	7.6
71.43549	3.1
73.02901	12.2
73.31010	3.0
79.05482	24.4
81.07050	50.1
83.08620	32.6
85.02895	34.1
91.03960	23.5
93.07043	27.1
95.08594	39.0
97.02883	15.4
97.06518	14.4
97.10178	24.7
100.88457	4.0
105.30862	3.1
107.08575	22.6
107.75602	3.4
109.10143	16.6
111.08074	6.1
111.11681	6.0
121.10142	52.9
123.11674	16.0
125.09618	4.3
127.03889	11.0
135.11691	38.0
137.13264	11.1
145.04930	16.3
148.24890	3.4
149.13261	14.3
151.14886	4.1
163.06004	24.6
163.14821	5.5
196.64809	3.5
219.21077	45.5
237.22113	97.8
238.22281	5.1
255.23149	25.4
259.19370	4.1
296.43198	3.8
311.25769	100.0
329.26828	73.0
473.30841	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05260	2.6
55.05510	30.0
57.03434	8.0
57.07069	13.7
61.02634	2.7
61.02925	33.3
67.05161	2.6
67.05502	39.8
69.03432	3.6
69.06712	2.8
69.07065	42.2
71.04986	3.7
71.08631	9.1
73.02923	10.3
75.04463	3.2
79.05487	17.0
81.03440	1.8
81.07055	52.3
83.08617	41.0
84.05776	1.5
85.02901	36.2
85.06551	3.9
85.10181	4.1
88.58632	1.8
91.03949	29.0
91.05473	2.5
93.05481	1.5
93.07037	22.0
95.04961	1.7
95.08605	37.2
97.02888	18.3
97.06517	10.5
97.10166	21.0
99.04414	3.0
107.08582	20.0
109.02866	2.0
109.10143	14.2
110.84231	1.6
111.08085	6.1
111.11717	7.2
115.03947	3.4
121.10135	41.2
123.11717	15.4
125.09558	2.3
127.03901	11.4
135.11685	38.3
135.28654	1.5
137.13271	10.5
139.11220	3.8
145.04944	17.4
149.13261	12.1
150.13757	1.6
151.14745	2.7
153.12679	1.7
157.12177	1.9
163.04784	2.7
163.06004	24.6
163.14769	8.3
167.14113	1.4
177.16385	1.8
219.21072	41.7
223.99585	1.7
237.22107	100.0
238.22452	3.0
255.23213	22.1
311.25784	83.6
312.26038	2.4
329.26846	70.7
330.27200	2.8
473.31339	1.8
561.47925	1.9
639.23969	2.6
670.25635	5.4
670.37799	1.7
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
50.05986	0.5
55.05517	0.5
62.37019	0.5
64.73547	0.5
67.05505	2.0
69.41780	1.4
69.42165	1.3
73.11287	0.5
73.35175	0.5
74.55148	0.6
78.89650	0.6
81.07054	1.1
81.22234	0.6
93.07059	1.2
95.08600	3.4
98.22765	0.8
107.08601	0.7
109.10192	0.6
122.09702	0.8
122.69151	0.6
146.98387	0.5
154.89331	0.6
164.76089	0.5
207.09227	0.7
209.10774	0.8
215.12814	1.2
220.10106	0.7
221.10732	0.9
222.11440	1.2
223.12354	1.6
224.13075	1.2
225.13896	1.2
235.12321	2.2
236.13087	0.9
237.13962	2.1
238.14740	1.8
239.15543	0.7
245.10814	0.6
247.12283	0.9
249.14015	2.1
251.15492	2.0
261.13791	0.9
263.11957	0.7
263.15424	0.7
274.13486	1.0
277.13376	0.7
335.25894	1.1
352.18155	0.8
354.19611	0.6
363.16064	0.6
364.17807	0.9
365.17914	2.0
366.19666	0.8
377.17578	0.9
378.18756	0.8
379.19263	1.7
380.20389	1.5
381.20700	1.9
393.16705	1.0
393.21069	2.2
394.21967	1.2
395.22266	1.8
396.17252	0.7
405.42126	0.6
406.18393	1.0
407.18607	1.9
408.22949	0.7
417.16870	0.8
419.22739	0.8
421.20422	2.1
422.20941	0.8
423.21982	1.6
425.19879	1.7
426.20865	0.7
433.20981	1.3
435.22205	1.8
436.22797	1.9
437.24197	3.1
439.21466	1.9
444.38959	0.6
445.15823	0.7
447.21881	1.8
449.20007	1.3
450.20609	0.9
451.21411	1.3
452.22229	0.7
453.23557	3.7
454.23672	2.7
460.19351	0.7
463.21658	1.8
465.23346	2.7
466.23257	0.7
467.20804	1.3
473.20029	1.1
475.21436	1.8
477.19418	1.9
478.19351	0.7
479.20361	0.8
480.21469	0.8
481.22168	2.2
482.22949	8.0
483.23407	0.7
487.17538	0.9
491.20834	1.1
492.21552	0.9
493.23288	0.8
503.20663	0.7
505.19287	0.8
507.20273	0.8
509.21854	2.3
510.22678	1.3
519.20453	1.7
521.21759	0.9
523.23236	1.8
524.24176	1.2
533.21851	0.9
537.21234	2.1
541.23920	1.2
547.19519	0.7
551.23090	2.5
554.21472	1.2
569.23859	14.3
570.24469	1.0
579.23004	2.3
595.25476	1.4
597.23297	11.3
598.23798	1.0
599.56635	0.7
607.25256	0.7
612.25793	1.3
621.23486	2.6
639.24725	1.9
653.26007	2.1
670.51172	0.9
671.27051	100.0
672.27448	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21622	2.6
57.07093	3.0
57.11364	3.1
67.05508	14.3
69.07068	5.2
69.25809	13.5
79.05489	5.5
81.03423	6.0
81.07054	12.5
83.08665	3.2
91.05491	9.1
93.07056	6.5
95.04989	8.9
95.08606	7.2
98.23408	5.0
105.07024	4.7
107.08606	2.9
109.10193	3.8
117.07041	3.8
118.06490	3.7
119.08620	4.6
129.07004	2.8
129.91457	2.4
145.10156	4.6
148.07588	3.7
171.44141	2.4
211.12367	3.8
221.10742	3.0
222.11444	3.0
223.12216	5.7
224.04010	2.6
225.07193	2.9
225.13901	6.4
235.12311	7.7
236.13115	7.0
237.13889	11.2
238.14732	6.5
247.12218	4.0
249.10219	8.1
249.13956	5.9
251.11900	3.1
251.15382	5.6
261.14005	4.3
264.12643	10.1
265.13242	4.0
273.14777	3.7
277.13367	7.2
279.14935	6.1
313.27283	3.9
319.20187	2.7
331.28479	3.4
338.16455	3.4
351.17645	3.6
352.18079	3.2
361.15402	4.4
366.19876	5.1
376.18250	4.9
380.21548	3.7
390.15723	3.9
390.20117	3.8
391.20181	3.1
392.17419	4.5
394.19031	5.9
400.17807	4.3
406.19080	4.4
408.20895	3.9
418.19284	5.2
421.17944	4.8
422.18671	3.9
432.17004	4.3
434.19101	3.5
436.19989	6.8
437.20853	6.5
445.20059	3.3
446.19315	4.4
449.17331	5.2
452.19946	3.2
462.17804	4.9
464.20200	4.1
466.19818	3.3
477.18988	3.0
480.19415	3.7
481.19769	3.5
482.20282	3.7
485.84006	2.9
488.19824	4.1
489.19370	4.3
491.20288	4.3
492.19962	4.2
493.20477	3.0
502.17426	4.6
503.20212	7.4
504.19806	3.1
505.19830	5.8
507.20892	3.1
509.19470	3.2
510.20734	3.0
516.19318	5.5
518.19910	4.2
522.20618	3.9
523.21167	3.7
533.20721	3.7
534.21448	2.9
545.21124	3.3
546.19977	10.4
547.19434	5.5
548.18365	4.4
551.21222	4.6
552.21753	3.2
562.19708	7.5
566.20215	5.0
572.18011	10.9
577.24347	12.1
578.23102	21.0
579.21704	3.8
580.20496	3.8
582.25671	3.6
589.20801	16.0
590.19012	27.9
593.22589	3.9
594.22491	8.2
595.25647	4.3
596.23492	4.1
598.97040	2.9
603.22382	9.9
604.20654	8.2
607.21796	22.7
609.27380	4.3
610.25580	3.6
611.25336	6.3
621.23431	85.4
622.21863	100.0
623.21826	8.1
626.24756	8.9
627.27948	3.2
635.38776	3.4
639.24512	49.9
640.24146	3.0
648.70197	4.0
653.26166	36.6
653.42108	3.2
654.24420	55.9
655.24365	3.5
670.44952	4.0
671.27417	31.2
671.41730	10.8
672.27283	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07609	0.8
79.05511	0.8
88.62531	0.9
122.38379	0.8
132.22113	0.8
143.81493	0.8
183.34035	0.8
205.12495	0.9
235.86815	0.9
251.67145	0.9
341.23795	1.1
410.21075	1.6
436.22620	1.2
437.23407	1.3
438.20651	2.3
439.21396	1.6
453.22897	5.5
460.22705	1.2
461.23877	1.1
462.20233	0.9
465.01627	0.9
469.26425	1.2
474.24097	1.1
476.22205	1.7
477.23050	2.0
479.20679	1.6
497.25467	4.9
502.23764	1.4
512.27753	2.8
525.25153	2.6
533.25562	1.1
537.25659	1.1
538.25616	2.2
539.26202	1.1
540.27057	7.7
545.25781	1.4
551.26367	3.0
561.25000	2.3
563.26794	1.5
579.26019	1.5
589.24438	2.6
593.28210	1.5
607.25574	1.5
611.28809	3.3
639.28259	10.3
671.30688	100.0
672.31146	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35944	0.7
55.20638	0.8
56.25883	0.8
63.76318	0.7
69.07397	5.5
85.50254	0.6
94.19041	0.7
98.22679	1.3
132.08080	0.8
162.24174	0.7
208.10071	0.7
211.12541	0.7
217.95410	0.7
223.12267	1.2
237.10330	1.0
243.11377	1.2
249.13971	0.9
251.11565	1.0
318.16089	0.9
367.19611	0.9
379.19064	1.0
388.17361	0.8
395.18600	1.4
403.19162	0.9
407.18689	1.3
410.20956	1.0
411.22031	0.8
425.23367	1.9
436.18011	0.9
437.19763	1.3
438.20645	2.2
439.21414	2.0
446.21246	1.1
447.21985	0.8
449.19104	0.8
451.21390	1.6
453.22894	5.3
460.22705	1.3
461.23569	1.2
465.22882	1.1
469.25711	1.0
474.24423	2.3
475.21362	1.3
476.22287	1.2
477.23068	1.2
483.23944	1.2
493.21921	1.1
497.25467	3.1
502.24390	1.5
503.20496	1.6
507.24042	1.6
512.27631	3.2
522.23181	1.6
523.22205	1.0
524.24316	2.1
525.25073	2.8
530.23157	0.9
533.25592	1.5
536.25684	0.8
538.25482	1.7
539.26770	0.9
540.27350	6.9
545.25446	2.0
551.22565	4.0
552.24060	1.2
561.24994	2.2
563.26361	2.0
589.24280	4.7
593.27808	1.2
607.25372	1.8
611.24780	12.1
612.25000	1.3
621.26910	1.3
627.28107	3.0
639.26874	13.8
640.25592	0.9
653.29590	1.9
671.30652	100.0
672.30859	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	672.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
69.03414	0.9
69.28970	0.9
69.29382	1.4
71.04984	10.7
79.05469	0.9
81.03387	0.7
83.04974	1.0
84.04483	0.8
85.02406	0.9
85.02898	11.6
87.04465	0.5
89.03899	2.5
97.02885	4.1
99.04453	0.6
107.04937	2.1
109.02840	0.5
111.04469	0.7
117.03366	3.1
123.04387	0.7
127.03884	0.7
129.05478	3.8
135.04405	10.0
137.05954	0.7
145.02815	6.9
147.06482	1.4
153.05411	2.5
161.06035	0.7
163.03886	100.0
164.04222	1.8
177.05467	1.3
181.04939	2.2
225.09053	0.8
243.10052	1.2
267.06363	0.5
309.09595	1.0
325.09152	14.4
326.09311	0.5
363.27780	0.4
498.43515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08014	0.7
55.05511	5.1
57.03440	3.7
57.07073	37.3
60.54895	0.6
60.90931	0.6
61.02637	1.0
61.02923	14.3
67.05502	10.3
69.03412	1.9
69.07070	7.7
71.08627	29.2
71.45489	0.8
73.02906	5.6
75.04455	2.2
78.28728	0.6
81.03429	1.4
81.07051	15.0
83.08614	12.1
83.74446	0.6
85.02903	17.9
85.06569	0.7
85.10175	16.1
89.06022	1.8
91.03951	14.9
93.07018	0.7
95.08598	25.6
96.86580	0.7
97.02882	8.8
97.10160	5.8
98.09689	0.9
99.04432	0.8
99.11746	1.7
103.07552	1.0
104.10773	0.7
109.10149	11.8
109.94641	0.9
111.11715	0.8
115.03893	0.9
116.10732	1.1
123.10913	0.9
123.11681	4.6
125.13269	1.2
127.03913	4.3
131.95979	0.7
137.13258	2.0
139.14848	0.8
145.04939	8.4
151.14819	1.2
154.02466	0.7
163.06015	12.7
239.23676	23.7
240.24101	0.8
257.24609	3.7
313.27341	100.0
314.27649	3.8
321.95389	1.2
331.28415	34.6
332.28769	1.3
405.96512	0.8
515.19232	0.7
537.18762	0.8
612.59613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
56.41993	0.5
57.03436	3.9
57.07074	41.8
60.21037	0.6
60.46687	0.5
61.02924	12.3
62.40494	0.5
67.05499	9.5
69.03431	1.5
69.07059	5.7
71.08627	29.4
73.02911	4.8
75.04469	2.3
81.03405	0.9
81.07054	13.4
83.08617	10.2
83.74348	0.6
85.02902	17.0
85.10178	19.8
89.06025	1.3
89.25788	0.5
91.03950	10.9
93.07050	1.1
95.08601	21.2
97.02883	7.0
97.10168	5.6
99.04459	0.8
99.11700	1.3
107.08629	0.6
109.10149	10.2
111.11700	1.8
115.03932	0.6
123.11702	4.3
125.13229	0.9
127.03902	4.4
137.13237	2.2
145.04945	5.8
151.14821	1.0
163.06018	10.5
166.21021	0.6
195.69141	0.7
221.22591	1.2
228.03166	0.7
239.23677	21.8
240.24115	0.7
257.24786	4.0
302.29764	0.6
310.03870	0.7
313.27344	100.0
314.27582	2.6
314.33508	0.9
331.28421	29.6
358.19235	0.6
475.32947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05508	9.1
57.03427	8.4
57.07062	1.2
61.02913	2.9
65.03943	1.5
67.05499	39.3
68.66057	0.6
69.07059	9.1
69.42236	2.0
69.42640	1.4
71.04990	1.5
71.57024	0.7
73.02924	1.2
77.03914	0.8
78.00632	0.6
79.05037	1.3
79.05487	17.1
81.03416	1.5
81.07050	24.0
83.08623	2.4
85.02888	2.8
91.03967	1.4
91.05470	9.7
93.06450	1.2
93.07039	22.6
95.04950	3.2
95.08597	100.0
96.08936	1.3
97.02879	1.3
97.06527	2.8
97.10145	1.8
98.14211	0.6
105.03373	9.4
105.04481	1.3
105.07019	7.4
107.08588	9.0
107.98000	0.6
109.06490	0.8
109.10148	7.7
111.08059	1.0
117.07008	2.6
117.95309	0.6
119.08568	4.8
121.10140	8.4
123.08038	3.2
123.11663	3.6
131.08575	5.3
133.10126	4.4
135.11667	5.3
140.08212	0.7
140.48663	0.6
141.08154	0.9
141.09061	3.8
145.10078	3.3
147.11679	3.6
149.05966	13.7
149.13202	4.3
150.06355	1.0
157.08472	0.6
159.10168	10.3
159.11687	2.6
161.13237	1.8
163.14828	1.1
173.13275	2.6
175.09637	1.4
187.14844	1.5
211.48370	0.6
213.11232	3.0
215.12764	54.1
216.13095	1.8
243.21091	4.4
246.82953	0.7
247.68071	0.7
261.22104	16.7
263.23853	0.7
317.24686	3.2
323.52890	0.7
335.25778	52.1
336.26056	1.8
341.10251	1.4
365.28271	1.4
383.28946	0.8
475.34186	31.7
476.34473	2.7
493.34930	2.3
533.14178	2.9
580.23438	0.8
641.25739	0.8
672.27344	1.5
673.28699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.06585	0.7
54.71315	0.7
55.01880	0.7
55.05508	5.0
57.03437	8.3
61.02915	2.4
65.03945	0.9
67.05504	34.1
67.05865	1.8
69.07071	7.5
73.02912	1.3
79.05489	11.6
81.03396	1.0
81.07055	21.0
83.08627	3.0
85.02882	2.0
91.05470	7.6
93.07038	18.7
95.04953	1.6
95.08602	100.0
96.08970	1.8
97.02879	1.3
97.06526	2.9
97.10116	0.7
97.89529	0.8
98.20834	0.7
105.07011	6.3
107.08594	7.2
109.10149	5.3
117.07023	1.3
119.08559	3.6
121.10139	6.1
123.08080	2.5
123.11735	2.4
131.08556	4.7
133.10138	3.1
135.11710	4.3
137.13304	1.1
141.09091	3.9
145.10146	2.4
147.11737	2.0
149.13272	3.4
154.65024	0.8
159.10164	11.0
159.11647	3.2
159.28424	0.8
161.13243	1.6
163.14868	1.3
165.08806	1.0
173.13275	3.0
175.14981	0.9
177.16353	1.1
213.11212	3.6
215.12776	59.6
216.13167	2.0
233.22675	0.8
243.21051	4.5
261.22156	11.2
317.24768	1.7
335.25778	43.0
336.26242	1.8
383.29324	1.0
475.34155	17.0
476.34586	1.4
598.23706	1.5
672.27515	11.0
673.28204	1.3
673.40381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02995	2.1
55.05501	3.7
56.78176	1.9
57.07073	42.1
66.70934	1.8
69.07048	2.5
69.33562	4.1
69.33972	7.4
71.08628	38.9
73.06564	10.0
83.08600	4.2
85.10181	18.7
87.04452	6.1
89.06026	100.0
91.33907	1.9
97.10143	4.0
100.12037	2.3
111.11689	2.7
117.09099	4.6
131.06935	2.0
133.08594	41.1
177.11165	15.0
197.22647	2.4
285.27768	4.9
329.30386	3.4
434.86200	2.4
459.27609	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	673.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.7
79.05491	1.4
81.07050	1.3
91.05451	1.5
93.07053	1.6
105.07016	1.0
152.88223	0.8
184.43729	1.0
197.10690	1.7
199.08722	1.2
209.10687	5.6
210.11497	2.5
211.12299	2.9
213.06546	2.0
222.11299	1.2
223.08704	2.8
223.12065	5.0
224.13036	6.5
225.10237	1.5
225.13892	4.5
227.08022	1.1
236.13004	1.3
237.10249	3.3
237.13829	11.7
238.14546	6.6
239.15407	5.0
251.08073	1.3
251.11859	1.9
253.13426	3.4
255.11261	1.2
259.10925	1.6
264.23877	1.0
265.13333	7.9
266.14001	4.1
267.14890	4.4
269.09082	1.2
283.10629	1.1
297.12299	1.2
301.11789	2.3
305.89178	1.0
316.18109	1.1
325.15445	7.9
327.17062	3.7
340.14688	1.1
355.16605	1.2
358.15271	1.2
372.17044	2.0
373.17889	1.1
374.18777	1.1
382.58368	0.9
386.14606	1.7
387.19485	1.0
390.22028	1.3
400.16205	1.2
405.16809	1.3
407.18719	1.5
419.18436	1.2
423.22125	1.5
477.22614	1.8
479.20795	1.2
483.23676	1.6
493.22079	1.8
507.24066	1.9
510.23007	1.5
511.23383	3.9
525.25024	1.4
535.23401	2.2
536.23212	1.1
539.22620	1.8
553.24048	3.2
579.25732	1.2
581.23730	3.3
591.21643	1.3
595.25464	8.1
597.26526	3.8
605.23560	3.2
613.26532	26.4
614.26001	1.6
623.24683	4.1
641.25995	100.0
642.26538	7.6
673.28308	5.1
673.38977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
63.04088	1.4
67.05512	3.2
69.88868	3.2
69.89257	3.0
79.05494	1.6
81.07061	3.8
86.09712	4.9
89.77285	1.5
89.95038	1.7
91.05470	2.8
93.07053	1.9
95.04905	1.8
95.08611	3.9
102.75042	1.5
103.66433	1.6
107.08635	1.5
121.10108	2.2
125.00020	4.7
140.77779	1.6
184.07343	19.2
199.58400	1.4
223.12390	1.7
241.04034	1.8
251.36555	1.6
261.55215	1.5
276.15146	2.2
353.17468	1.8
354.19424	2.2
361.40817	1.6
366.18341	2.3
367.19339	5.0
368.20303	2.1
370.19330	1.8
377.17950	2.2
379.19626	2.5
381.16754	2.3
381.21118	2.4
391.19553	3.8
393.21335	2.4
395.18582	3.3
396.20248	2.7
405.17181	5.4
409.20230	8.6
410.20929	4.7
411.21664	8.2
420.19489	3.8
421.20447	3.0
422.21399	3.2
423.22018	4.6
437.23920	2.5
438.24017	3.1
439.25430	2.0
448.18869	15.8
449.23849	2.7
454.23764	6.1
465.23505	2.6
466.23593	5.2
469.22382	3.3
475.17542	6.4
476.18704	2.3
480.21603	18.3
481.26572	3.2
482.23300	4.6
483.24011	7.1
484.24692	13.1
486.11346	1.7
493.18097	2.9
498.26135	2.0
508.21149	3.8
510.22897	4.0
511.23260	10.3
520.21191	2.9
525.24902	4.2
526.25806	7.9
538.22217	2.6
539.23016	5.6
540.23975	2.0
549.21667	4.7
553.24701	8.8
566.21136	2.3
567.22760	2.3
570.24579	6.6
571.25238	13.4
580.23157	22.7
581.23724	5.8
585.27136	5.0
598.24109	35.2
599.25189	9.4
613.26593	43.1
614.27283	3.4
623.24756	5.3
641.26031	62.9
642.26147	6.5
655.31104	2.2
672.37122	2.2
673.28613	100.0
673.38416	6.1
674.28735	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	673.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
60.08154	5.8
67.05492	4.0
69.07096	1.9
79.05462	1.9
81.07039	3.3
86.09692	20.8
87.10036	2.0
89.90456	1.2
91.05485	2.2
93.07063	2.5
95.08580	2.8
97.54758	1.2
98.22615	3.2
98.98443	3.0
109.10131	1.5
113.36045	1.4
124.99989	14.3
131.57426	1.3
139.69803	1.3
168.72743	1.3
184.07333	73.7
185.07710	7.1
196.09938	1.8
209.10654	1.9
210.11409	2.6
212.09692	1.4
223.37070	1.5
224.09343	2.8
225.10179	4.3
225.13872	6.1
226.10986	2.2
227.08104	3.6
227.11743	2.0
235.08760	1.5
237.06622	1.4
237.10262	4.9
238.10951	3.4
239.08107	3.4
239.11719	6.3
241.13329	3.2
251.11800	2.2
253.09677	2.5
253.13353	29.7
263.11728	1.7
279.11362	1.9
281.09134	4.5
302.09323	1.9
304.10785	1.6
309.08704	1.8
313.11823	2.7
314.12646	2.0
328.10922	1.7
341.11679	2.1
342.12473	1.6
356.13953	1.8
360.13477	2.5
372.17133	3.1
374.15067	8.0
379.57819	1.6
383.12308	1.5
388.16483	3.0
389.17267	4.4
400.16760	7.0
404.19690	19.4
406.15100	1.4
408.16190	1.5
421.12497	2.8
425.04910	1.4
432.19061	7.8
435.14105	1.9
436.15024	2.4
437.16003	3.8
449.16150	1.5
451.17645	4.5
460.18390	4.4
466.20056	2.7
467.20822	4.2
475.21964	2.1
476.18704	2.0
477.15381	1.7
481.22189	1.7
491.20575	3.9
492.21292	35.9
493.21835	5.2
497.18011	2.2
503.20569	4.8
504.19077	1.9
507.20123	5.8
511.19543	3.2
521.21912	8.3
525.21149	2.0
531.20209	2.0
539.22577	6.1
549.21497	7.6
550.08716	1.8
553.24127	6.2
554.24982	3.3
563.22662	3.4
580.24152	2.4
581.23926	12.0
591.22571	2.5
609.22815	2.5
613.26495	45.4
614.26550	2.6
619.23755	1.6
623.25055	7.4
641.26019	100.0
642.25848	5.8
655.27301	4.5
673.28400	14.8
673.40540	2.8
674.29541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51526	0.5
65.03917	1.7
70.06573	0.5
70.81730	0.9
71.30824	0.5
76.10311	0.5
76.89659	0.5
80.53816	0.6
88.07635	2.7
88.48479	0.5
105.03351	0.5
121.02821	0.6
131.04901	1.2
137.25600	0.5
143.62617	0.6
147.04376	1.0
149.02332	56.6
149.03397	2.5
150.02675	1.5
175.03917	1.6
177.05461	1.4
193.04948	77.6
194.05269	1.5
219.06575	1.4
224.63063	0.5
225.05458	1.1
237.07564	21.4
242.24937	0.7
253.88667	0.5
269.04361	2.6
297.03940	4.0
313.06900	3.1
341.06561	15.5
343.08279	0.8
359.03247	0.7
359.07593	11.4
385.09134	33.1
386.09662	2.4
394.69376	0.5
403.10358	0.8
429.11780	100.0
430.12170	4.4
506.16885	0.8
674.35260	30.4
675.16736	1.3
675.35266	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95603	0.4
55.05495	0.9
59.76575	0.4
63.32725	0.5
67.05502	1.3
68.05008	0.4
68.51195	0.4
69.03429	0.7
69.07069	2.6
70.06592	100.0
71.06936	0.6
72.08142	0.5
81.03394	0.6
81.07059	4.8
85.02882	0.5
86.02427	0.5
86.09706	33.1
87.10074	0.6
88.45027	0.4
91.05466	1.0
93.07064	0.9
95.04987	0.8
95.08608	1.8
97.02892	0.7
97.10146	0.8
98.93771	0.4
101.07150	1.1
101.88166	0.4
103.05451	1.6
107.08581	0.5
109.02866	0.7
109.10190	0.7
120.08101	62.7
121.08464	1.0
123.11700	2.9
127.03951	1.1
127.08676	17.7
127.09624	0.9
129.06593	0.9
132.10205	1.7
145.02864	0.5
147.04422	2.2
151.11137	0.7
155.08144	41.7
156.08554	0.6
163.03900	1.8
169.12233	1.3
172.10745	2.4
177.10231	9.0
181.04980	0.6
187.13274	2.3
196.14439	0.5
205.09734	3.2
226.11833	1.2
231.11299	1.0
233.16542	0.7
242.15009	1.6
274.15488	1.5
274.65640	0.5
279.17007	8.5
283.14059	1.0
290.25394	0.6
295.15521	0.8
302.14966	14.0
311.20706	1.3
313.16483	0.6
320.15985	1.5
331.17490	3.0
336.19113	1.9
339.20291	1.4
368.22906	0.5
373.18585	1.1
387.23953	1.2
396.22333	1.3
402.21216	0.8
415.23459	1.6
426.20340	0.7
430.20950	2.9
433.24460	90.8
434.24786	4.2
515.29675	3.6
525.28308	0.6
543.29224	5.9
544.29010	0.5
546.32782	1.3
642.21552	1.3
674.38708	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	674.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.07072	34.7
71.08629	23.0
71.43217	1.1
73.06548	8.5
83.08601	2.2
85.10168	21.0
87.04460	9.2
89.06023	100.0
97.10160	2.6
99.11742	5.6
99.42528	1.3
107.07079	2.7
117.09138	10.3
130.08673	2.8
131.07034	3.7
133.08592	50.5
155.17911	5.5
155.28165	1.1
161.11812	2.7
175.09630	1.3
177.11197	22.5
199.20560	4.1
221.13831	4.3
239.14809	1.6
243.23206	9.1
283.17438	2.2
287.25858	5.1
324.40814	1.2
503.30267	1.6
657.47583	3.8
674.50037	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.21
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01600	5.3
83.05000	3.6
85.02903	5.3
98.23537	8.6
102.74154	3.1
107.55798	3.5
110.27051	3.5
127.00077	4.1
167.03171	5.2
169.04738	5.2
210.39400	3.6
227.05301	11.8
271.04114	4.8
280.25943	3.3
312.96698	3.5
371.09357	11.2
389.10651	24.0
413.10300	6.7
431.11523	57.4
433.09344	10.2
457.09662	6.4
475.10507	66.6
519.09454	83.2
520.09851	5.8
545.21832	4.6
587.22827	34.3
589.21191	4.5
631.21899	49.6
675.20898	100.0
675.31940	4.7
676.21265	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61340	0.4
69.76517	0.4
70.70386	0.8
88.54366	0.4
97.10320	0.4
108.61998	0.4
155.59393	0.4
273.45132	0.5
440.14667	0.6
453.15845	1.0
454.16595	1.2
455.13110	0.6
467.12732	0.7
467.18085	0.5
468.13828	3.5
469.14795	8.4
470.15805	1.6
471.16925	0.7
481.14722	2.3
482.15796	10.6
483.16544	10.4
484.17331	1.8
495.16672	1.2
496.17371	6.2
497.18198	44.6
498.18573	6.2
499.19897	1.0
500.17160	0.5
501.17593	0.7
510.19125	2.1
511.19751	6.0
512.20844	2.2
515.19537	2.4
523.16663	0.6
528.16235	3.0
529.16779	0.9
541.17334	1.6
542.17834	2.3
555.19000	1.4
556.19537	4.1
557.20471	2.6
569.20349	0.7
594.90649	0.5
616.21918	1.8
629.22388	1.2
643.23938	7.3
644.24695	10.0
645.25134	1.1
657.25476	7.1
675.26575	100.0
676.26666	9.2
689.62219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
61.13852	0.4
67.05510	0.7
69.07100	0.7
78.88979	0.5
81.07059	1.0
84.29929	0.4
91.05437	0.4
107.08595	0.5
116.62562	0.4
141.38525	0.4
147.11732	0.4
148.90027	0.4
158.92451	0.4
178.91245	0.4
180.21735	0.5
197.99196	0.4
243.90913	0.5
267.15927	0.6
305.94714	0.5
334.11844	0.5
383.89191	0.5
453.15759	1.0
454.16669	1.5
455.13239	0.6
467.12799	0.8
468.14209	2.7
469.14758	8.6
470.15717	2.3
472.18216	0.6
481.14618	3.0
482.15799	13.0
483.16562	11.5
484.17249	2.4
495.16690	1.7
495.29489	0.6
496.17557	6.7
497.18182	46.2
498.18927	5.7
499.19409	1.3
500.16907	0.6
510.19037	2.0
511.19809	5.9
512.20044	2.1
515.19226	1.9
523.16138	0.5
527.15759	1.0
528.16254	2.5
529.16541	0.6
538.19391	0.8
539.19989	0.6
541.16901	1.0
542.17828	2.3
555.18463	2.2
556.19653	4.1
557.20422	3.3
569.20728	0.8
571.22076	0.6
616.21570	1.0
617.21515	0.6
643.23859	7.0
644.24640	8.4
645.24860	1.6
657.25409	9.2
660.24713	0.6
675.26587	100.0
676.26855	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	675.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73533	1.9
53.78128	1.8
56.07412	1.9
56.27288	1.9
65.73132	2.1
67.05519	4.6
70.93176	2.1
79.05488	2.0
81.07065	4.2
91.05473	3.1
93.07051	3.4
95.05006	2.2
105.06992	2.8
116.14478	1.9
119.08594	2.0
149.02345	4.0
216.06865	1.8
231.17874	2.1
243.59865	2.1
267.21072	2.4
315.86047	2.1
365.10367	2.3
429.11829	3.7
430.12329	4.2
513.30353	18.3
558.17059	2.1
571.31604	2.2
588.61096	2.2
675.35602	100.0
676.35962	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	675.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07982	0.4
61.10927	0.3
62.91764	0.3
67.05492	0.7
68.71021	0.3
77.27597	0.3
79.05476	0.3
95.08618	0.3
96.02053	0.3
97.63900	0.3
105.29450	0.3
110.12461	0.3
123.14487	0.3
161.62825	0.3
185.04169	0.5
212.85159	0.3
234.07712	0.3
347.09570	1.2
351.25146	0.3
513.30292	18.1
514.30804	1.0
659.58356	0.4
675.35529	100.0
676.35870	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	676.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01856	6.0
55.05498	1.4
57.03442	6.8
61.02919	2.4
65.03938	1.4
67.05500	11.2
67.94535	1.0
68.99778	1.7
69.03421	15.3
69.07052	3.0
70.06586	9.5
70.42645	1.0
71.04977	3.2
71.06917	2.4
73.02908	2.7
79.05473	5.3
81.03413	48.9
81.07056	6.4
83.04980	2.1
83.08604	1.3
85.02898	25.9
86.09691	3.5
87.00824	12.2
91.05478	6.5
92.20424	1.2
93.07043	8.1
95.04962	38.1
95.08611	7.6
97.02897	11.8
99.04456	7.7
105.01846	7.6
105.07011	10.2
107.04938	3.0
107.08578	8.7
109.02869	14.7
109.06513	7.9
109.10149	4.6
111.04371	1.2
111.08057	3.7
117.06998	2.8
119.04877	1.4
119.08573	16.3
119.73328	1.0
120.08080	3.5
121.06506	8.7
121.08424	2.1
121.10136	19.6
123.04418	15.7
123.08054	7.8
123.11716	3.2
125.09586	2.1
127.03904	21.9
129.01794	2.3
131.04901	1.3
131.08583	5.4
133.06499	3.1
133.10107	17.0
135.04343	1.1
135.08020	8.1
135.11687	6.0
137.05972	3.0
137.09612	3.9
141.05420	2.4
142.07771	1.6
143.08513	3.3
145.04944	6.2
145.06464	5.8
145.10121	8.4
147.04404	2.5
147.08035	7.2
147.11639	3.4
149.05963	1.5
149.09598	5.0
151.07507	2.8
151.11169	1.3
155.08150	3.2
157.10138	6.2
158.10803	1.3
159.02873	7.5
159.08069	3.6
159.11694	7.8
161.09619	11.0
161.13246	3.9
163.03865	3.1
163.11153	13.7
165.09125	3.4
167.08508	1.3
169.10114	3.6
170.10863	1.7
171.08026	3.8
171.11621	6.6
173.09605	4.9
173.13190	4.8
175.11194	4.2
175.14824	11.4
177.05553	1.1
177.09059	1.9
177.12717	4.9
179.10645	1.3
181.10112	1.9
181.12254	1.8
182.10863	1.6
183.08052	1.6
183.11678	4.5
185.09621	6.4
185.13216	5.6
187.11169	4.6
187.14798	3.5
189.12737	6.0
191.14354	2.4
193.10118	1.6
193.15894	5.4
195.11650	2.2
197.09586	2.0
197.13275	9.0
199.11101	5.7
199.14818	2.6
200.11844	1.4
201.12769	3.0
201.16333	2.1
203.10533	3.0
203.14293	17.8
205.12317	1.2
207.11786	1.8
207.13733	1.6
209.13193	2.5
211.11194	5.3
211.14630	2.6
213.12720	3.8
213.16411	2.3
215.10721	1.6
215.14293	4.1
219.13730	1.2
221.13301	1.8
221.15341	4.6
223.11093	3.0
223.14798	2.0
225.12740	4.5
227.10643	2.5
227.14211	9.6
229.12219	3.9
229.15796	7.1
231.04985	5.0
237.12766	2.2
237.16350	1.3
239.14262	4.0
241.15880	7.1
243.13783	3.5
250.13580	1.3
251.18040	1.2
253.15764	2.4
255.13684	1.5
255.17343	3.6
257.15353	1.3
259.16870	4.2
261.16348	1.5
269.18958	12.0
271.16852	2.3
279.17401	12.8
287.20108	2.4
291.07047	2.5
297.18448	76.4
298.18710	2.7
299.59525	1.2
309.33472	1.1
315.19513	100.0
316.19876	4.7
329.21091	1.5
333.20456	9.2
339.19531	6.6
357.20575	18.5
371.28091	1.1
375.21573	16.9
401.00726	1.1
423.21210	1.6
433.24411	1.7
434.24673	5.0
435.24268	2.6
517.30396	1.3
533.07507	1.3
534.51575	1.2
545.23511	4.4
563.24823	19.4
564.25134	1.5
581.25366	2.0
599.26819	1.9
676.23199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54745	12.5
55.05494	19.5
55.81637	11.7
58.08291	11.7
67.05026	12.0
67.05499	51.4
69.07063	28.0
79.05495	38.4
81.07066	37.2
86.09712	30.9
91.05481	44.8
93.07054	45.8
95.08614	19.2
105.07024	42.8
107.08604	23.4
119.08562	40.0
125.00049	24.9
125.09618	15.1
125.14530	13.6
129.07053	13.0
133.10152	27.2
136.06137	61.7
143.08559	18.3
147.11716	18.3
184.07384	100.0
188.51097	13.3
217.08630	14.6
217.14246	13.7
241.19455	15.9
255.24304	15.0
259.20535	15.9
291.19611	69.1
333.24197	20.8
365.23114	15.0
623.42371	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	677.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17160	2.9
51.67095	2.1
52.19371	2.4
52.81207	2.1
54.27995	2.4
54.81870	2.9
69.41983	10.5
81.07036	2.4
84.19888	2.3
124.07568	2.4
125.97645	2.3
152.07089	3.3
154.05031	2.9
278.90417	3.2
375.94650	2.7
399.87488	2.6
400.14905	3.5
413.16367	3.1
414.17459	3.9
426.16766	7.4
428.14664	5.1
430.16373	3.2
439.17953	3.0
440.18570	5.4
441.19824	3.9
442.16107	7.9
443.16983	6.3
444.17914	5.7
453.15314	5.8
455.20883	5.6
456.18539	6.5
457.18484	9.7
458.19290	10.1
463.16745	3.3
467.16721	3.9
468.17688	6.8
469.18924	5.9
470.11945	4.9
470.19412	3.3
471.20923	16.0
474.16357	2.9
479.13022	3.9
480.17929	5.7
482.15817	5.6
483.12708	7.2
484.12744	12.0
485.18002	5.2
494.15091	3.7
495.20230	14.7
496.13907	3.8
496.20935	5.8
497.18738	33.8
498.16492	4.2
499.15784	4.3
506.19586	4.5
507.16772	4.7
508.17584	4.1
509.18073	7.9
511.16165	12.3
512.16315	15.0
513.17316	16.7
514.21759	9.3
521.18164	7.8
522.17987	3.1
523.20270	26.4
524.16840	3.8
525.17700	38.8
526.18243	5.7
527.19299	21.6
530.21417	19.4
539.18939	7.3
542.65491	2.8
554.17810	5.0
555.18457	23.0
556.19049	6.0
567.18317	7.0
573.19928	4.2
585.19696	4.8
586.20093	4.5
599.21204	30.4
601.22870	38.2
602.22858	4.7
609.20331	4.8
617.22400	67.0
618.22229	6.0
627.20807	100.0
628.20813	10.5
645.22003	51.4
646.21698	8.0
663.22809	6.7
676.40448	14.9
677.23932	17.6
677.31921	11.4
677.41125	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	677.2454
Annotation	Granatumin F
Peak:m/z	Relative Intensity
53.38847	1.5
64.43761	1.6
69.57651	5.0
74.06248	1.6
81.07027	2.0
84.33237	1.4
84.51124	1.5
97.00985	1.5
97.50186	1.5
98.22759	3.8
149.62932	1.6
234.58806	1.6
339.08319	2.1
382.19641	1.7
400.15610	4.6
412.15683	2.7
426.17014	3.0
427.18201	2.8
428.14493	4.1
429.15244	3.1
430.16513	2.5
437.15857	1.9
438.17337	2.2
441.19724	2.4
442.16312	5.7
443.17096	5.5
444.18158	3.0
453.15671	4.9
454.16620	3.5
455.21570	3.2
456.18118	4.7
457.18793	9.5
458.19699	4.5
459.20377	1.7
468.18439	3.4
469.18823	3.9
470.16022	3.1
471.20718	13.0
472.17236	1.6
480.17865	4.1
480.57138	1.7
481.18896	3.5
482.15881	3.3
483.12451	2.5
484.13901	8.5
485.18445	2.1
494.15927	5.7
495.20456	11.9
497.18671	23.1
498.14993	3.6
499.19473	3.0
501.22162	2.0
507.16571	5.0
511.16162	5.4
512.17169	6.1
513.17535	18.9
514.21783	5.6
516.19897	2.1
521.18359	10.5
522.18793	3.3
523.20618	13.8
524.19769	1.9
525.17676	18.8
526.18555	4.6
527.19049	6.8
530.21954	12.4
531.18634	2.1
536.16919	2.4
538.18170	4.9
539.19843	7.9
541.20807	2.1
549.17236	2.4
550.18402	3.2
551.19336	19.9
552.19714	3.2
554.18085	2.4
555.18744	11.3
556.19629	2.6
558.20453	2.5
567.19061	4.4
568.19452	5.8
572.19128	4.0
583.21667	11.6
585.20013	2.5
586.20435	3.6
587.21027	3.5
595.18256	12.9
599.21307	13.1
601.22717	6.7
609.19495	2.5
613.19110	4.0
617.22418	38.1
618.22247	2.7
627.20758	48.9
628.21246	3.9
635.23022	2.7
645.21796	62.3
646.21716	4.1
659.23083	9.1
676.40137	3.8
677.24353	100.0
677.42181	3.9
678.24615	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	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12733	0.4
55.16306	0.4
65.95455	0.4
70.87141	0.7
73.56324	0.4
83.56207	0.4
90.12464	0.5
111.44908	0.5
120.36407	0.4
130.40634	0.5
149.09988	0.6
172.54494	0.5
185.04201	0.9
185.32915	0.4
200.95134	0.5
235.90613	0.5
297.27710	0.4
347.09634	1.0
515.31915	24.1
516.32233	1.0
518.56885	0.5
560.90906	0.5
677.37115	100.0
678.37427	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90913	0.3
134.24397	0.3
134.62025	0.2
140.75401	0.3
185.04245	0.8
185.58130	0.3
203.05246	1.9
259.07935	1.7
347.09457	1.5
365.10519	3.9
387.13696	0.4
401.15039	0.4
402.15695	0.4
415.33731	0.3
421.13159	1.0
431.19028	0.5
446.14349	0.4
515.31897	24.5
516.32300	1.1
573.21503	0.5
590.22076	1.1
677.37122	100.0
678.37250	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
50.48001	0.5
52.15401	0.5
53.03946	1.3
55.01865	1.0
55.05507	12.9
57.03437	5.9
57.07071	4.2
61.02925	25.0
65.03939	2.2
67.05502	70.9
68.05845	0.8
69.03426	4.0
69.07066	12.0
70.27241	0.7
70.27555	0.9
71.04992	3.7
71.08616	1.1
73.02915	10.8
75.04465	0.8
77.03929	1.3
79.05489	45.4
80.05836	0.7
81.03407	1.7
81.07053	80.8
82.07392	1.1
83.04991	1.5
83.08620	7.5
85.02905	24.8
85.06534	2.3
87.04456	0.7
87.83275	0.5
91.03955	27.7
91.05474	24.9
93.07041	60.3
94.07333	0.7
95.04964	5.8
95.08604	59.0
96.08944	0.9
97.02885	12.2
97.06519	3.5
97.10166	3.0
99.04464	1.4
99.08076	2.4
105.04543	1.4
105.07025	18.1
107.04932	0.6
107.08589	39.0
108.08913	0.6
109.02843	1.3
109.06501	1.9
109.10152	34.0
111.08078	2.2
113.09621	1.5
115.03915	1.7
117.07017	9.8
119.08578	17.6
121.10140	35.7
122.10482	0.8
123.08065	1.7
123.11698	17.2
125.09641	1.6
126.65669	0.6
127.03914	9.2
127.11213	1.0
127.67423	0.6
129.06989	1.0
130.07770	0.8
131.08554	20.0
133.10124	15.0
135.11687	29.9
137.09608	1.6
137.13235	6.4
139.11198	1.9
143.08554	0.6
145.04953	12.4
145.10126	16.0
147.10559	1.0
147.11684	12.5
148.17812	0.5
149.09602	1.0
149.13251	21.7
149.14456	1.0
151.11183	2.0
151.14793	2.3
153.12715	1.9
159.11684	12.6
161.13264	10.4
163.04634	0.7
163.06007	15.8
163.11147	1.5
163.14815	17.0
165.12764	2.5
165.16444	0.7
173.13232	15.6
174.13617	0.7
175.14803	3.8
177.12723	1.2
177.16394	7.5
179.14299	2.2
187.14799	9.9
189.16505	0.6
191.14299	1.6
193.15849	0.8
195.13730	0.6
197.47189	0.5
201.16365	3.2
203.17926	0.9
205.15880	1.8
215.17940	1.9
219.17436	1.4
233.22598	4.0
243.21069	31.9
244.21568	1.0
256.35492	0.6
261.22122	100.0
262.22519	4.2
263.23636	1.8
279.23306	2.7
326.76068	0.6
335.25787	14.5
336.26056	1.1
353.26831	30.2
354.27148	1.3
430.40631	0.5
479.29431	0.7
488.12231	0.6
497.31006	1.2
527.01465	0.5
540.82361	0.7
565.72522	0.5
601.23767	0.8
617.22070	0.9
643.35358	0.6
645.22247	0.9
677.25037	7.2
677.35602	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	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68613	1.9
53.03944	4.6
55.05508	10.2
56.97369	1.9
57.03428	7.6
57.07072	5.1
61.02920	19.7
62.61532	1.9
63.38213	2.4
65.03968	3.4
67.05499	88.9
69.03439	2.4
69.07073	12.3
69.24902	13.7
71.04998	3.0
71.08642	2.3
73.02914	7.6
79.05485	46.0
81.03415	3.0
81.07053	100.0
83.04958	2.7
83.08607	9.1
85.02906	20.6
85.06535	2.5
91.03956	19.3
91.05470	25.7
93.07038	57.7
93.07602	3.8
95.04946	6.4
95.08601	72.4
96.04848	2.5
97.02897	9.9
97.06529	4.6
97.10138	2.4
105.07018	20.9
107.08589	41.8
109.10147	36.0
117.07028	8.1
119.08574	16.6
121.10136	37.0
123.11706	19.6
125.09708	3.3
127.03886	5.6
129.55658	2.3
131.08539	18.7
133.10089	13.5
135.11684	32.9
137.09590	2.5
137.13264	7.1
145.04935	7.9
145.10107	14.2
147.11671	14.2
149.13257	22.4
151.11064	2.0
151.14833	3.1
156.88834	2.4
159.11734	12.9
161.13240	11.8
163.06027	9.6
163.14822	16.4
173.13249	14.3
175.14742	4.5
177.12720	2.7
177.16426	5.8
179.14320	3.6
187.14842	8.6
191.14326	4.0
201.16394	4.6
205.15941	3.8
218.35529	2.2
219.17458	3.1
233.22609	5.8
243.21106	33.8
244.21310	2.1
244.52255	2.4
261.22107	91.7
262.22424	2.4
268.43137	2.2
279.23126	4.7
310.59521	2.1
318.31308	2.0
328.37326	2.0
335.25751	35.3
353.26779	31.4
364.71539	1.9
446.34454	2.4
475.60660	2.3
497.31036	7.0
542.68268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.03431	2.0
57.07067	0.8
61.02924	5.8
66.39580	0.5
67.05499	5.4
68.29249	0.5
69.03432	2.8
69.06639	3.1
69.07061	1.9
70.06554	0.5
71.04991	1.0
73.02916	3.9
79.05502	2.1
81.03422	2.0
81.07059	3.5
85.02908	4.2
89.06033	0.8
91.03967	2.8
91.05489	1.8
93.07059	3.2
95.08602	8.2
97.02893	4.7
99.04482	0.8
101.02380	1.8
103.03947	0.8
105.07015	0.8
107.08623	1.3
109.10147	1.3
117.07034	0.7
119.08549	0.9
121.06570	0.5
121.10163	1.0
127.03931	1.5
131.08583	0.6
133.08636	0.7
133.10118	0.8
135.11723	1.2
145.10254	0.5
149.05898	0.6
159.10219	0.8
161.13181	0.5
181.08389	0.6
184.07423	1.1
243.08452	1.7
291.23029	0.6
335.25827	1.3
342.24188	1.0
399.16074	3.3
445.33923	0.7
519.29236	9.4
520.30182	0.6
635.79626	0.6
677.38629	100.0
678.39160	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	678.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85395	0.6
53.03961	0.8
55.01897	0.8
57.09552	0.6
65.03937	8.3
65.04216	0.6
67.05502	3.3
69.03449	0.7
82.04214	2.2
85.02901	3.6
86.32103	0.6
89.09032	0.6
93.03403	1.5
95.04970	2.2
97.02910	0.7
97.06557	1.4
105.04530	1.2
108.02094	3.3
110.03667	2.1
111.04434	4.0
121.02856	52.3
121.03927	2.0
122.03197	0.9
125.05971	1.7
138.03093	1.6
141.05484	1.9
142.02586	0.9
143.08534	0.7
145.02782	0.6
149.44403	0.6
151.03897	88.7
151.04993	7.9
152.04240	0.9
153.05438	4.3
171.06517	5.9
181.04938	100.0
182.05280	2.2
200.23088	0.6
204.92670	0.5
233.15332	0.6
238.63988	0.6
295.04443	1.1
297.05902	1.5
325.05466	1.1
523.10577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.0
55.01845	1.0
55.05507	5.5
57.03436	5.7
61.02881	1.2
65.03892	0.7
65.86717	0.6
67.05501	25.3
67.05830	1.2
69.03387	1.2
69.07069	7.7
71.04928	3.0
71.42750	0.8
73.02868	1.0
79.05491	14.3
81.03363	2.3
81.07053	38.6
83.04988	3.0
83.08613	7.5
85.02843	1.9
85.06483	2.6
91.05476	12.1
93.07039	25.3
95.04981	4.1
95.08600	10.5
97.02832	1.3
97.06525	5.1
97.10139	0.8
99.08033	1.7
103.03860	0.7
105.04506	0.8
105.07031	6.5
107.04934	1.0
107.08591	13.8
109.06480	1.6
109.10136	3.5
111.08059	3.5
113.09487	0.7
117.07019	7.8
119.08586	3.6
121.06477	1.0
121.09407	0.6
121.10144	7.6
123.11637	2.7
125.53120	0.7
129.06926	0.9
131.08548	6.7
133.10120	9.4
135.07979	1.7
135.11673	6.0
139.11110	0.8
143.08517	1.5
145.10060	2.1
147.11629	1.3
149.09583	1.1
149.13258	15.4
150.13554	0.7
151.11104	1.0
157.10081	1.4
159.10355	1.2
159.11674	15.3
161.13280	1.5
163.43533	0.6
171.11665	1.7
173.13205	0.8
177.12721	16.7
179.14328	4.9
187.14809	0.8
195.11885	0.8
195.13770	13.1
213.14833	2.8
217.68602	0.6
230.33629	0.7
233.15381	2.0
237.81659	0.8
251.16486	5.1
261.66068	0.8
269.17450	100.0
270.17825	2.8
353.24939	1.0
357.19382	0.9
371.25793	1.9
377.19662	1.1
389.26941	1.1
413.21698	1.5
431.22919	1.3
437.29196	0.9
445.29749	1.1
463.30478	13.9
464.31149	0.7
474.96356	0.8
481.31628	7.8
678.31824	33.5
678.41663	1.9
679.32367	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	678.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.0
55.01845	1.0
55.05507	5.5
57.03436	5.7
61.02881	1.2
65.03892	0.7
65.86717	0.6
67.05501	25.3
67.05830	1.2
69.03387	1.2
69.07069	7.7
71.04928	3.0
71.42750	0.8
73.02868	1.0
79.05491	14.3
81.03363	2.3
81.07053	38.6
83.04988	3.0
83.08613	7.5
85.02843	1.9
85.06483	2.6
91.05476	12.1
93.07039	25.3
95.04981	4.1
95.08600	10.5
97.02832	1.3
97.06525	5.1
97.10139	0.8
99.08033	1.7
103.03860	0.7
105.04506	0.8
105.07031	6.5
107.04934	1.0
107.08591	13.8
109.06480	1.6
109.10136	3.5
111.08059	3.5
113.09487	0.7
117.07019	7.8
119.08586	3.6
121.06477	1.0
121.09407	0.6
121.10144	7.6
123.11637	2.7
125.53120	0.7
129.06926	0.9
131.08548	6.7
133.10120	9.4
135.07979	1.7
135.11673	6.0
139.11110	0.8
143.08517	1.5
145.10060	2.1
147.11629	1.3
149.09583	1.1
149.13258	15.4
150.13554	0.7
151.11104	1.0
157.10081	1.4
159.10355	1.2
159.11674	15.3
161.13280	1.5
163.43533	0.6
171.11665	1.7
173.13205	0.8
177.12721	16.7
179.14328	4.9
187.14809	0.8
195.11885	0.8
195.13770	13.1
213.14833	2.8
217.68602	0.6
230.33629	0.7
233.15381	2.0
237.81659	0.8
251.16486	5.1
261.66068	0.8
269.17450	100.0
270.17825	2.8
353.24939	1.0
357.19382	0.9
371.25793	1.9
377.19662	1.1
389.26941	1.1
413.21698	1.5
431.22919	1.3
437.29196	0.9
445.29749	1.1
463.30478	13.9
464.31149	0.7
474.96356	0.8
481.31628	7.8
678.31824	33.5
678.41663	1.9
679.32367	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01869	11.3
55.05508	36.0
57.03436	12.0
57.07067	10.1
65.03934	4.9
67.05502	100.0
69.03419	5.4
69.07049	29.6
69.84473	10.7
69.84856	12.6
71.05015	8.9
71.08609	11.0
73.35318	4.4
73.78140	4.4
79.05485	85.1
81.03428	7.3
81.07045	88.9
83.08591	24.0
85.06543	6.8
89.06018	21.5
91.05474	96.5
93.07039	88.7
95.04967	20.6
95.08601	55.5
97.06532	8.0
97.10167	7.0
99.53774	4.8
103.05437	4.7
105.07018	81.6
107.04937	5.9
107.08596	42.7
109.06518	8.2
109.10168	19.8
111.08080	8.8
115.05516	7.5
116.50452	5.1
117.06306	5.0
117.07001	31.4
119.08569	68.7
119.32743	5.2
121.06481	4.8
121.10140	21.7
123.11729	7.9
125.09601	7.2
129.06990	23.2
131.08540	30.5
133.06523	5.6
133.08612	12.6
133.10130	55.3
135.11667	23.8
143.08556	19.3
145.10106	37.7
147.08061	6.2
147.11661	37.4
149.09550	6.6
149.13278	13.9
155.08568	7.8
157.10147	24.3
159.11707	22.4
161.13249	18.4
163.11066	7.5
169.10136	11.1
171.11681	14.7
173.13252	11.0
183.11652	8.0
185.13245	9.8
187.14810	10.1
195.11783	5.1
197.13226	6.8
199.14877	7.1
209.13268	5.0
241.19562	11.8
255.15846	7.7
257.19199	7.6
259.20584	39.5
269.17633	6.8
275.20068	13.8
291.23322	6.7
333.24182	31.8
349.23758	6.4
489.35074	5.1
513.35663	14.9
527.36969	20.8
678.29279	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21932	5.2
55.01884	7.5
55.05514	51.3
57.03442	20.1
57.07076	6.4
67.05506	99.9
69.07074	31.2
69.07597	14.8
69.08013	27.1
71.05008	5.8
79.05496	95.2
81.07059	100.0
81.07510	8.5
83.04993	15.3
83.08630	27.1
89.06051	9.2
91.05487	94.1
93.07040	97.0
95.04984	22.7
95.08603	72.8
97.06556	17.1
97.10162	8.5
99.08119	5.1
105.07032	85.2
107.08611	45.3
109.06489	8.4
109.10149	25.8
111.08046	8.0
117.07024	37.6
119.08582	64.2
121.06544	9.0
121.10140	28.2
123.08058	5.7
123.11713	10.8
128.06168	5.8
129.07014	20.9
131.08572	52.5
133.08611	6.9
133.10144	41.2
135.11736	25.3
137.09621	6.2
141.07004	6.2
142.07837	6.8
143.08577	22.3
145.10133	38.7
147.11688	44.6
149.09676	5.2
149.13257	20.0
155.08531	13.1
157.10158	31.7
159.11725	29.5
161.13280	27.9
163.11205	8.6
169.10129	14.2
171.11705	21.7
173.13274	22.5
175.14903	7.4
181.10181	7.5
183.11761	20.1
184.07396	14.9
185.13281	16.7
187.14766	6.8
197.13309	11.5
199.14796	6.4
215.17780	7.9
223.14940	5.6
241.19594	18.5
255.15883	12.8
259.20596	34.6
269.17447	14.8
275.20053	23.8
281.19235	5.1
333.24216	32.8
406.96622	5.6
513.35699	17.2
527.37482	27.3
607.43298	19.8
625.44037	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
53.30972	3.2
53.52933	2.8
55.01865	4.5
55.05511	25.7
57.03436	15.6
57.07060	6.7
65.03928	5.4
67.05502	93.1
69.03390	4.9
69.06709	5.0
69.07068	66.6
69.44285	15.9
69.44566	3.0
71.04995	26.0
71.08635	3.7
73.02916	5.8
79.05048	5.2
79.05495	91.9
81.03417	10.1
81.06572	5.2
81.07057	100.0
83.04963	13.9
83.08615	17.6
85.06549	4.4
88.29957	2.9
89.06032	7.3
91.05477	62.0
93.07044	89.4
95.04973	25.6
95.08604	61.1
97.06525	82.4
97.10181	5.6
99.08111	4.7
105.04484	5.6
105.07040	39.0
107.04952	11.0
107.08580	46.9
109.06535	17.0
109.10137	25.0
111.08036	4.1
115.07574	29.1
117.07017	20.4
119.08572	33.3
121.06508	7.2
121.10144	30.6
123.08051	3.4
123.11725	9.3
129.06979	12.9
131.08566	33.2
133.08598	3.4
133.10120	30.0
135.08028	10.2
135.11679	18.1
137.09671	3.3
142.07796	3.8
143.08563	8.5
145.10124	19.7
147.08026	5.3
147.11679	11.1
149.09630	3.5
149.13240	10.2
151.11214	5.4
157.10153	8.5
159.11678	14.3
161.09595	5.4
161.13333	5.2
161.59491	3.4
163.11133	5.4
171.11647	8.6
173.13298	5.0
177.12691	5.4
177.37898	2.7
184.07350	6.7
185.13297	5.9
186.71448	3.6
210.32462	3.1
217.15768	3.5
261.22089	4.5
267.16190	4.3
273.18466	8.8
291.19415	5.8
316.96066	3.2
335.25748	23.8
337.37900	3.0
347.22260	3.5
363.25235	6.0
529.38837	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52711	8.2
53.03959	8.7
53.69165	7.9
54.01490	9.7
55.05507	44.6
57.03431	11.5
57.07060	12.2
59.57621	7.4
65.03927	8.8
67.05502	100.0
68.79601	8.4
69.07075	43.0
69.08600	11.6
69.09013	50.7
71.08610	14.0
71.49752	7.2
79.05491	79.1
81.07043	87.9
83.08614	25.5
89.06023	28.3
91.05470	88.5
93.07047	83.2
95.04969	19.2
95.08596	63.5
97.06544	12.3
97.10146	12.1
98.23431	20.0
105.04466	9.5
105.07029	87.4
107.08572	51.1
109.10148	34.9
112.13160	8.2
116.58045	8.4
117.07008	34.9
118.35135	8.3
119.08570	61.2
120.54959	7.9
121.06540	10.4
121.10126	28.7
129.07013	19.1
131.08549	40.0
133.08572	23.9
133.10085	45.6
135.08076	11.8
135.11687	23.1
137.09601	9.0
143.08574	28.0
145.10135	35.9
147.11690	28.7
148.58887	8.2
149.09605	10.1
149.13348	11.0
155.08536	9.4
157.10127	18.9
159.11659	28.9
161.13165	11.3
169.10152	11.0
171.11696	28.4
173.13278	15.3
177.12668	9.2
181.10023	13.3
183.11655	15.4
190.54510	7.7
195.11685	13.4
211.14792	9.2
227.12663	15.2
241.19518	17.3
259.20590	28.0
275.19885	16.2
333.24228	24.6
349.23917	9.7
409.17410	11.0
410.17746	24.4
494.93225	8.5
513.35162	15.9
527.37225	18.9
607.43317	18.8
625.44128	15.3
632.50122	10.0
678.30054	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.9
55.05513	55.0
57.03431	16.8
67.05503	91.3
69.07064	31.1
71.08637	21.1
71.42763	10.9
79.05488	88.1
81.07064	79.9
83.08619	31.7
85.10166	17.4
87.04447	22.7
89.06030	73.5
91.05474	83.3
93.06538	14.3
93.07041	77.8
95.04951	16.7
95.08604	66.8
97.10152	64.7
102.34270	11.0
105.07031	83.0
107.04933	11.9
107.08584	81.5
109.10168	38.0
117.07024	24.3
119.08554	57.3
121.06503	21.2
121.10158	31.6
123.11715	17.7
124.08562	11.6
125.09627	52.6
129.07010	20.2
131.08595	42.0
133.08620	52.3
133.10138	46.5
135.08063	16.0
135.11710	17.9
143.08551	21.0
145.10115	36.5
145.75578	11.4
147.11667	40.2
149.09608	19.4
155.08540	16.8
157.10120	26.1
159.11685	36.8
161.13269	23.4
166.44084	13.6
169.10178	13.7
171.11711	29.9
173.13272	20.1
175.14726	12.9
177.11211	15.9
185.13289	18.9
187.13208	11.4
189.11235	17.6
197.13271	16.3
199.14830	16.3
227.12776	54.9
240.14403	14.7
241.19627	21.6
242.96541	12.5
243.15997	12.0
247.20647	15.5
259.20645	23.7
275.20062	23.8
291.23114	30.3
365.28333	13.7
381.31702	16.2
383.29395	12.9
414.79507	13.6
457.91528	13.6
507.23523	13.9
515.38251	17.4
607.43683	43.5
625.44916	100.0
676.38788	15.6
678.50751	15.3
679.41388	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	679.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94067	0.5
67.05495	2.0
69.07047	0.9
69.81080	1.6
73.02940	0.5
79.05495	1.0
81.07054	2.5
85.02879	0.6
91.05468	1.3
93.07048	1.8
95.04918	0.5
95.08611	0.9
100.11246	0.7
107.08604	0.9
119.83076	0.5
121.10144	0.6
121.50428	0.4
130.37183	0.5
133.10132	0.7
135.23872	0.4
148.62970	0.5
149.13266	0.8
159.11650	0.5
240.51382	0.5
269.17474	3.0
270.17792	1.2
272.00674	0.5
274.39621	0.4
296.79596	0.5
314.39832	0.5
356.80115	0.5
464.31039	0.7
679.31079	100.0
680.31183	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	679.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05508	3.5
57.03428	1.4
61.02931	5.8
67.05500	4.7
69.03426	3.2
71.43108	0.9
73.02909	5.0
74.39462	0.9
78.47897	0.8
79.05490	3.0
80.72220	0.9
81.03419	1.4
81.07050	4.6
83.08660	0.9
85.02911	6.3
87.04472	1.0
89.06057	1.3
91.03954	3.6
91.05470	1.8
93.07053	3.9
95.08620	3.8
97.02874	5.0
97.10165	2.1
99.04469	1.0
100.11242	1.5
100.38425	0.9
105.07054	1.1
107.08598	2.4
109.10146	1.0
115.15627	0.8
119.08576	1.7
119.14888	0.8
120.79386	0.9
121.10187	1.7
122.42773	1.1
125.09652	1.4
127.03900	2.1
135.11746	1.4
143.08525	1.0
234.14955	0.9
243.08504	1.6
288.37766	0.9
401.17673	4.9
458.12421	0.9
503.63800	0.9
519.29224	8.6
639.48755	1.0
679.40204	100.0
680.40698	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	680.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
53.31189	0.2
55.01868	0.5
55.05497	0.5
55.33057	0.2
57.03436	1.7
59.04976	0.2
61.02926	1.0
62.38124	0.2
69.03426	3.0
69.37307	0.8
71.01343	0.5
71.04992	2.9
73.02916	5.8
73.03336	0.3
75.04472	0.3
76.89216	0.2
79.05489	0.4
79.67978	0.2
81.03428	0.9
83.04983	2.3
85.02898	6.6
87.04463	0.3
89.03914	2.5
89.67448	0.2
95.04965	0.4
95.27283	0.2
97.02887	7.1
99.04472	0.4
100.11932	0.2
101.05968	0.2
107.04948	0.9
108.93858	0.2
109.02884	0.4
111.04459	1.7
115.03935	1.7
117.03374	3.4
127.03928	1.7
129.05441	1.2
133.04953	0.8
135.04407	8.1
136.04774	0.3
137.06021	0.4
139.03906	0.5
145.02846	8.0
147.06514	0.7
157.04974	0.2
163.03893	100.0
164.04245	2.3
169.04929	0.5
181.04915	1.5
217.25600	0.2
223.06039	0.8
225.07529	0.4
243.08652	0.3
247.06085	0.3
265.07056	0.7
266.36172	0.2
276.08459	0.4
283.08023	0.6
307.08099	0.4
325.09140	4.8
326.09198	0.3
349.09128	0.8
367.10223	3.9
368.10785	0.2
385.11243	4.1
386.11691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04826	1.4
55.05509	10.5
57.03434	1.9
57.07069	2.0
67.05504	6.9
69.03414	3.7
69.07063	17.6
69.88808	3.7
69.89157	2.3
79.05479	5.7
81.03397	1.8
81.07050	27.9
83.08626	3.0
84.28679	1.2
85.02894	20.3
91.05474	5.6
92.03786	1.3
93.07044	8.5
94.80313	1.5
95.08603	25.1
95.83480	1.7
97.02894	4.0
97.10159	4.0
100.11267	2.6
105.07027	17.7
107.08573	14.9
109.02875	2.5
109.10153	40.4
111.11710	6.3
119.08575	22.9
121.10126	13.8
123.11691	10.7
127.03897	6.1
131.08559	4.3
133.10118	18.2
135.11668	11.7
135.67445	1.4
139.11172	1.5
145.04958	10.9
145.10100	10.3
147.11674	48.8
147.12856	2.5
149.13246	17.4
151.11092	1.5
159.11703	19.7
161.11900	1.9
161.13243	35.0
163.06015	7.4
163.14832	3.5
165.12685	3.4
173.13235	19.1
175.14816	21.5
177.16406	2.8
179.10657	4.0
187.14801	13.3
189.16406	2.9
193.12233	53.8
198.76280	1.3
199.14638	1.6
201.16364	14.3
205.12221	4.8
206.93604	1.4
207.13795	23.1
215.17928	5.3
219.13783	8.3
221.15396	13.0
233.15356	1.9
245.22620	3.1
247.16862	2.8
257.22623	100.0
258.22946	3.1
267.20953	1.5
275.23691	3.7
285.22214	6.8
291.23154	6.1
303.23154	99.6
304.23404	4.1
325.11459	2.7
542.07166	1.4
543.68024	1.7
680.51184	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	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05511	15.2
57.03440	2.0
57.07059	2.5
61.02932	2.3
61.32312	1.3
61.41786	1.4
67.05503	10.6
69.03428	4.3
69.07067	17.6
69.07961	6.2
69.08380	4.4
78.16988	1.5
79.05490	6.9
81.03408	2.8
81.07053	44.0
83.08627	5.9
85.02901	23.6
86.47401	1.4
91.05486	5.4
93.07034	13.1
95.08024	2.3
95.08605	37.2
97.02893	4.8
97.10186	9.9
100.07610	1.8
100.11255	9.7
105.07018	18.9
107.08586	18.5
109.10152	33.4
111.11752	8.3
117.07054	2.4
119.08587	31.2
121.10146	16.6
123.11690	10.6
127.03912	4.4
131.08638	7.0
133.10124	20.7
135.11699	13.4
137.13271	3.0
140.07027	1.8
145.04959	12.0
145.10123	17.1
146.26904	1.7
147.11682	49.9
149.13237	16.1
151.11105	1.8
152.07071	2.6
157.10077	1.8
159.11699	21.8
161.13263	42.4
162.18068	1.3
163.03911	1.7
163.06001	5.2
163.07480	1.8
163.14830	6.1
165.12737	2.5
173.13255	24.3
173.14601	2.9
175.14810	36.4
177.16371	3.4
179.10660	3.8
182.15338	4.3
183.15707	2.0
187.14832	14.0
189.16403	2.6
193.12244	40.4
193.15923	2.2
194.08263	1.9
195.13771	1.6
201.16364	14.2
204.06627	2.5
205.12267	4.3
207.13808	27.8
209.16475	4.5
210.14935	4.1
215.17973	5.2
219.13843	7.6
221.15373	24.7
233.15385	5.4
245.22731	5.5
247.16988	3.5
249.76714	1.5
257.22647	100.0
258.22995	6.7
275.23730	9.0
285.22101	8.8
291.23218	6.7
303.23187	95.2
304.23630	3.6
325.11511	2.5
380.86713	1.7
419.27780	2.6
641.47266	1.5
662.49207	2.4
679.50842	4.7
680.51154	11.6
681.25409	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	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05503	11.1
57.07074	1.7
59.89563	1.1
67.05499	11.0
69.03423	4.7
69.07069	18.0
69.54468	4.6
70.06587	1.2
71.04984	1.2
71.05531	0.9
71.89274	1.0
74.45102	1.1
77.03945	1.1
79.05486	8.3
81.03443	1.7
81.07056	46.6
83.08603	6.9
85.02899	18.0
85.06554	1.2
91.03947	1.3
91.05473	5.7
93.07049	11.4
95.04954	2.3
95.08601	32.0
97.02885	7.3
97.10168	7.3
98.22703	1.1
100.07606	1.9
100.11254	9.1
105.07023	18.6
107.08586	18.7
107.49813	1.2
109.02882	2.6
109.06532	1.2
109.10154	41.3
110.06113	1.2
111.04447	1.3
111.11720	9.5
117.07037	2.5
119.08578	27.9
121.10146	16.1
123.11707	14.7
127.03893	7.5
128.07080	1.4
131.08534	6.8
133.10112	23.6
135.11703	11.6
137.05959	1.0
137.13164	2.3
140.07080	4.6
143.08533	1.2
145.04982	7.5
145.10110	16.3
147.11682	55.0
147.98755	1.0
149.13249	17.5
151.11191	1.4
157.10188	1.3
159.11693	20.1
161.13257	42.1
163.06055	6.3
163.07408	1.2
163.14810	8.8
165.12775	4.4
171.11707	1.4
173.13249	17.7
175.14816	31.5
177.16415	3.4
179.10696	3.8
182.08206	1.7
182.15440	3.4
187.14806	19.1
188.48195	1.1
189.16377	6.2
193.12227	56.8
199.14761	1.3
201.16376	16.5
205.12247	4.3
207.13799	29.7
209.16553	2.6
210.14903	4.3
211.15146	1.1
215.18001	5.0
219.13786	8.5
221.15363	23.6
224.09235	3.0
233.15370	6.2
235.16936	2.6
245.22653	2.3
247.17021	3.3
257.22629	100.0
258.22992	4.8
267.21164	1.5
275.23672	4.4
285.22165	7.9
291.23145	3.5
303.23169	89.1
304.23441	3.8
325.11432	1.9
419.27881	2.3
447.27524	1.5
680.36017	5.0
680.49933	12.9
681.37775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.5
57.03430	10.8
65.03926	6.2
67.05509	83.3
69.07067	28.6
69.12049	45.3
79.05489	38.3
81.07056	65.3
83.04971	10.4
83.08652	12.9
88.46265	5.7
91.05482	25.3
93.07048	53.9
95.08593	48.3
97.06527	7.1
105.07030	20.7
107.08602	36.9
107.47411	6.0
109.10158	46.1
117.07034	7.4
119.08566	17.7
121.10133	18.2
123.11689	9.4
131.08594	14.3
133.10124	12.7
135.11736	13.9
145.10130	13.5
149.13304	8.0
159.11601	6.7
173.11652	17.2
227.12888	9.7
229.14313	35.3
243.59523	6.6
257.19067	6.5
261.22214	11.3
262.37228	5.7
269.17194	6.6
275.20108	11.3
335.25790	100.0
336.26016	6.9
349.23627	15.1
377.54831	6.5
489.35684	25.0
529.39020	14.8
609.44592	19.0
627.46057	9.8
637.30090	6.4
681.43500	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	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01886	3.3
55.05511	34.3
57.03430	13.5
57.07055	2.5
59.04991	3.3
65.03926	2.4
67.05502	100.0
69.07064	27.9
70.56405	4.2
71.05035	2.9
71.82435	2.2
79.05490	60.3
81.06565	4.4
81.07050	90.8
83.04982	3.8
83.08617	17.6
85.06543	3.7
91.05481	37.2
93.07041	63.2
95.04964	10.4
95.08600	50.3
97.06549	7.8
97.10174	9.4
99.08106	3.6
103.98621	2.2
105.04549	3.0
105.07013	27.5
107.04932	4.4
107.08583	39.6
107.09248	3.0
109.06519	4.2
109.10150	37.0
111.08118	4.3
114.54830	2.2
117.07011	9.4
119.08559	23.4
121.10143	28.5
123.08089	3.7
123.11694	6.3
125.09625	7.3
129.07077	2.5
131.08548	16.1
133.10127	19.1
135.08051	5.3
135.11700	15.5
137.09666	2.8
143.08577	4.3
145.10091	16.5
147.11696	10.9
148.82025	2.4
149.09636	7.7
149.13217	12.5
157.10060	3.0
159.11702	12.0
161.13260	5.1
163.11169	3.7
163.14767	4.2
171.11653	4.0
173.11746	6.8
173.13290	6.5
179.14362	2.5
187.14807	3.0
189.11253	5.0
193.68605	2.1
215.90999	2.7
218.72859	2.5
227.12755	12.8
229.14267	28.1
229.15961	2.5
237.38596	2.3
243.21077	5.5
257.19077	4.9
261.22192	16.1
269.17441	26.4
275.20038	31.6
293.21191	3.8
317.24780	3.2
335.25793	90.3
336.26215	7.1
349.23706	20.6
367.24762	11.0
396.12033	2.3
489.35596	28.6
529.38855	43.8
530.39142	2.6
542.50037	2.8
569.42029	2.9
596.40399	2.6
609.45007	17.9
627.46173	12.9
681.43152	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	681.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84985	0.5
67.05486	0.9
69.20385	0.5
69.95129	0.8
69.95468	1.1
72.88132	0.5
79.05501	0.5
81.07059	0.6
93.07081	0.5
101.26778	0.6
105.07056	0.7
133.10129	0.5
142.30450	0.5
204.10895	0.5
231.09122	0.5
269.10532	1.1
287.11877	0.7
487.18759	1.3
661.10779	0.5
681.32452	100.0
682.32874	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	681.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84985	0.5
67.05486	0.9
69.20385	0.5
69.95129	0.8
69.95468	1.1
72.88132	0.5
79.05501	0.5
81.07059	0.6
93.07081	0.5
101.26778	0.6
105.07056	0.7
133.10129	0.5
142.30450	0.5
204.10895	0.5
231.09122	0.5
269.10532	1.1
287.11877	0.7
487.18759	1.3
661.10779	0.5
681.32452	100.0
682.32874	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	681.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
57.03432	1.6
64.44756	0.7
65.33204	0.9
67.05495	3.1
69.07056	1.6
69.21270	4.2
71.00881	0.6
79.05493	3.7
81.07046	2.3
83.08613	0.7
91.05482	2.3
93.07024	2.7
95.08600	1.1
98.23532	1.2
105.07047	1.9
107.08574	1.3
110.39485	0.7
113.06034	1.6
117.07072	0.8
119.08608	1.6
121.10104	1.0
131.08537	0.8
133.10114	2.1
136.06178	1.7
159.11665	1.0
167.28270	0.7
209.01045	0.9
276.31650	0.8
331.18768	11.7
373.23309	1.1
387.21487	5.3
624.33942	0.8
681.43262	100.0
682.43695	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	681.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
67.05514	3.3
69.07071	2.4
69.07839	7.2
69.08243	1.9
79.05486	2.8
81.07067	3.4
91.05470	2.7
93.07047	4.3
95.08625	3.7
105.07027	1.9
105.65797	1.5
107.08624	2.6
119.08610	1.3
125.73580	1.3
160.43689	1.5
219.44858	1.3
219.83138	1.2
261.99069	1.9
331.18753	7.9
373.23581	1.9
387.21448	1.9
454.48422	1.4
484.45126	1.6
592.37933	1.3
681.43286	100.0
682.43573	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	682.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03936	8.4
55.01866	7.0
55.05511	1.6
56.10670	0.8
57.03439	8.2
61.02918	5.4
65.03935	1.0
67.01895	1.0
67.05212	0.9
67.05500	5.2
68.99786	6.7
69.03426	45.5
69.07068	10.2
69.22586	5.7
71.01351	2.9
71.04990	5.3
73.02917	7.2
75.04469	0.9
79.05482	1.6
81.03416	43.8
81.07066	3.1
83.01338	2.3
83.04973	9.6
85.02903	87.9
87.00828	40.8
91.03949	1.1
91.05476	3.1
92.05039	2.4
93.03426	1.0
94.06561	0.9
95.04966	6.3
95.08604	1.0
97.02888	50.3
99.04459	14.5
101.02387	2.8
103.03936	5.5
105.01862	35.7
109.02876	63.1
109.10163	1.5
111.04436	11.4
113.02398	2.4
115.03954	1.7
117.01852	2.1
118.06532	6.3
119.04980	1.9
120.08125	1.2
121.02859	1.7
123.04460	7.0
123.11745	3.5
125.02338	6.3
127.03909	100.0
129.01834	4.8
129.05536	2.2
135.04434	1.2
137.05988	1.8
139.03952	3.5
141.05457	2.1
145.02922	2.5
145.04965	17.7
147.02931	2.3
147.04456	2.7
147.06602	1.7
149.02419	1.0
149.06039	1.4
151.03864	9.4
151.11201	6.4
153.01877	1.7
159.02882	9.7
159.56047	0.9
161.06071	1.4
162.09142	8.1
163.03915	1.3
163.09967	2.3
165.05502	3.9
167.03464	2.9
169.04956	12.8
171.02887	4.7
175.03938	2.3
177.05470	7.2
181.04994	2.9
187.06012	10.0
189.03940	17.5
189.05502	1.8
193.04964	9.6
195.02980	1.7
202.16025	1.5
207.06525	1.6
211.06033	4.4
213.03923	15.5
213.05757	1.0
229.03439	1.3
230.15395	13.4
231.04990	25.2
233.06485	4.2
235.05888	4.9
249.06052	5.4
253.07092	4.0
255.05025	3.9
269.06580	2.0
273.06012	58.2
274.06348	1.7
292.19034	33.7
297.06192	3.1
315.07037	7.6
321.06094	1.7
339.07095	7.5
348.21600	1.0
357.08139	6.3
425.07233	1.2
443.08057	5.8
461.09192	6.6
504.93735	0.9
510.26828	2.0
520.32788	1.8
681.50793	0.9
682.37921	49.1
683.23547	1.4
683.38470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3614
Annotation	Lehualide K
Peak:m/z	Relative Intensity
67.05457	1.0
70.39517	1.1
81.06998	0.9
91.05762	0.7
119.08445	0.6
120.82241	0.5
126.35011	0.4
147.04344	0.9
156.80861	0.5
185.04187	0.7
188.22395	0.5
203.05174	1.4
259.07928	1.3
299.69333	0.5
308.92767	0.5
309.16666	3.9
310.28674	0.5
427.19446	0.6
429.08600	0.8
453.20871	1.5
471.22003	100.0
472.22339	4.4
475.31104	0.7
638.67828	0.5
639.34167	0.6
665.34961	0.9
683.36060	85.2
684.36383	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	683.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24469	3.9
59.01886	4.1
61.23373	4.5
81.07023	6.4
98.23425	11.1
98.91646	4.5
127.56586	4.1
174.17705	4.2
245.53249	3.9
260.66763	4.6
344.14896	3.9
651.27252	5.0
683.43060	100.0
684.42596	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	683.449
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05504	0.7
67.05508	1.5
69.07072	0.9
70.58828	0.4
70.62683	0.6
74.51905	0.4
79.05490	2.3
81.07059	1.5
81.59585	0.5
91.05448	0.8
93.07047	1.7
95.04988	0.8
95.08606	1.0
105.07033	0.8
107.08599	1.1
109.10165	0.4
119.08565	0.7
121.10094	0.4
125.47617	0.3
133.10106	0.8
135.11745	0.5
194.23627	0.4
215.86403	0.4
242.70691	0.4
317.20969	1.2
333.20328	4.0
333.23929	0.5
355.06329	0.4
373.23755	1.7
389.22919	4.3
596.41858	0.4
683.44867	100.0
684.45026	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	684.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70682	0.9
55.01860	2.2
57.03442	4.1
61.02929	35.3
69.03436	10.7
70.06094	1.5
71.04984	1.6
72.83657	0.9
73.02917	13.0
78.49265	0.9
81.03429	3.1
85.02902	79.2
86.03234	1.3
87.04464	1.2
91.03955	47.8
97.02889	28.6
97.03490	1.8
97.19386	0.9
99.04461	5.4
103.03957	3.1
109.02854	5.0
109.75710	0.9
115.03934	2.6
117.05534	1.4
127.03914	37.9
145.04955	44.1
163.06015	100.0
164.06406	1.8
226.80363	0.9
289.09021	1.7
307.10236	1.0
325.11261	25.2
347.01807	1.0
439.24686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62836	0.7
55.01871	2.1
57.03430	4.9
57.37144	0.7
61.02925	35.0
68.30653	1.0
69.03432	11.2
69.54536	0.8
69.54870	3.5
71.05000	1.5
73.02917	14.7
78.42863	0.8
81.03425	3.6
85.02904	82.7
86.03225	0.8
87.04475	0.9
91.03952	54.2
97.02892	30.5
97.03421	0.5
99.04477	4.7
101.02394	1.5
103.03949	2.6
109.02890	6.2
113.60986	0.7
115.03941	4.1
117.05511	0.9
127.03912	37.9
145.04959	49.7
154.75592	0.8
163.06013	100.0
164.06346	1.3
221.24948	0.7
228.64510	0.8
289.09259	1.4
325.11276	27.9
326.11475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01883	1.2
55.05506	9.4
57.03443	1.7
57.07076	2.9
58.84679	0.8
59.04992	0.9
60.11780	0.8
61.02921	3.0
65.03953	1.3
67.05500	9.6
69.03432	6.9
69.07063	13.2
70.03741	0.9
70.06598	1.2
70.93755	1.4
71.04591	1.1
71.04987	16.7
73.02911	1.9
73.04755	1.2
73.06551	1.7
77.03946	1.2
79.05485	16.5
81.03414	4.7
81.07053	85.8
82.07372	1.3
83.04986	1.6
83.08614	6.0
85.02901	22.9
85.06541	2.7
87.00824	7.7
88.95543	0.9
91.03980	1.2
91.05427	10.1
91.06357	1.0
93.07040	30.4
93.07600	1.7
94.07388	1.2
95.04975	3.7
95.08599	26.4
96.08953	0.9
97.02892	6.8
97.06521	2.5
97.10179	3.2
99.04440	2.6
99.08096	4.1
100.11253	6.6
101.11591	3.2
103.05450	1.2
105.01853	12.2
105.04521	0.9
105.07023	38.6
106.07349	1.0
107.08588	45.9
109.02885	4.1
109.06509	1.1
109.10144	29.8
111.11755	1.4
113.09653	1.2
117.07031	3.2
119.08570	66.9
120.08927	1.2
121.06500	1.0
121.10168	8.4
123.11703	19.6
125.09645	7.3
126.08072	1.0
127.03904	8.8
127.11185	25.7
127.12072	1.6
131.08603	1.8
133.10120	33.3
135.04320	1.1
135.11687	89.5
136.12013	2.0
137.06041	1.3
137.09523	1.1
137.13219	5.9
139.11172	1.9
139.25723	0.8
143.04831	1.0
143.10661	31.3
144.11005	1.0
145.04962	5.1
145.10168	2.5
147.04393	1.0
147.11674	23.2
149.13272	7.1
151.11157	1.9
153.12656	4.7
157.12234	1.6
159.11713	3.1
161.05986	1.8
161.13248	16.6
163.03935	1.0
163.06052	3.9
163.14803	4.7
165.12827	1.3
173.06100	1.9
175.14851	3.3
177.16370	2.4
178.29402	0.8
182.15450	1.5
183.15758	1.0
189.04022	1.1
193.19563	1.3
203.17946	70.2
204.18279	3.0
205.19565	1.6
210.14931	1.4
210.16843	1.5
211.15298	1.1
213.03899	1.0
221.18983	100.0
222.19435	3.2
231.05051	3.2
239.20053	5.3
249.06059	4.3
329.21210	1.3
347.21954	1.3
359.02905	2.0
665.51111	1.5
683.52246	10.6
684.52472	7.5
685.51788	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	685.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01775	0.4
62.84171	0.5
69.07099	0.6
70.06599	1.0
70.16901	1.5
70.28745	0.5
79.05490	0.9
79.68509	0.4
81.07081	1.1
85.02897	0.7
89.03899	0.5
91.05794	0.8
92.64185	0.5
95.08606	0.8
117.03355	0.5
135.04430	0.8
147.04413	0.9
163.03879	2.4
176.31552	0.6
181.04932	7.8
185.04301	0.7
201.03828	0.7
203.05263	12.5
203.78012	0.5
217.86803	0.6
325.21390	0.6
343.22430	5.1
361.23404	0.5
461.28839	7.3
505.27722	4.9
523.28760	60.3
524.29285	3.5
561.83215	0.5
685.34015	100.0
686.34222	6.6
691.48914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26810	0.9
67.05508	4.7
69.07089	1.4
69.09348	5.1
69.09745	2.0
79.05482	2.6
81.07053	2.9
87.86854	0.9
93.07054	2.6
95.08609	3.8
105.07021	1.0
107.08578	1.5
117.79866	1.0
119.08585	2.0
125.70915	0.9
230.18820	0.9
333.20349	1.7
335.22147	1.2
351.21252	6.6
407.23975	3.6
437.55695	1.1
685.27637	2.8
685.46405	100.0
686.46765	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	685.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.4
67.05505	2.5
69.07117	0.9
69.07532	3.3
73.04758	0.4
79.05495	1.2
81.07072	2.5
83.08628	0.5
91.05450	0.5
93.07042	1.4
95.08606	1.6
105.07052	0.6
107.08624	0.7
109.10182	0.9
119.08638	0.6
121.10125	0.7
138.39503	0.4
173.19421	0.4
229.92278	0.4
290.60666	0.4
321.44968	0.4
351.21408	6.4
406.31369	0.4
407.24005	4.2
520.68201	0.4
601.95776	0.5
685.46411	100.0
686.46844	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51265	0.6
53.03939	1.4
55.01875	0.9
55.05507	12.3
57.03436	11.5
57.07065	1.6
57.21013	0.5
59.04993	3.5
59.45334	0.7
61.02932	4.7
62.96924	0.5
63.33759	0.5
63.44104	0.6
65.03939	2.5
67.05501	100.0
69.03427	1.9
69.07058	6.9
71.05002	2.4
71.07410	0.6
73.02958	0.6
75.77970	0.6
79.05486	19.3
81.03436	1.1
81.07053	32.8
83.08626	7.0
85.02906	3.7
85.06546	2.2
91.03982	1.6
91.05476	11.6
93.07037	22.1
93.90422	0.6
95.04971	2.5
95.08602	21.9
95.09213	1.2
97.02898	2.5
97.06531	0.9
97.10170	1.7
98.22679	1.4
105.07039	5.9
107.08588	13.4
107.09264	1.1
109.10147	68.7
111.08072	3.6
117.07021	2.4
119.08558	9.6
121.10136	8.9
123.11703	3.2
125.09657	1.3
131.08557	4.7
133.10117	3.7
135.11685	5.7
137.09596	3.0
137.13232	0.9
143.08572	0.7
145.10133	3.5
147.11646	3.0
149.13261	3.7
155.10651	7.3
159.11662	3.0
161.13281	2.3
163.14833	2.0
173.11772	13.6
173.13269	2.7
175.14838	1.1
187.14842	0.8
201.16280	0.8
227.12816	2.6
229.14334	59.4
230.14754	2.1
233.22664	0.9
243.21150	3.0
261.22147	10.1
317.24750	2.2
335.25781	43.1
336.26144	1.6
351.24927	0.6
379.30258	0.9
397.30759	0.7
415.31982	1.2
453.51718	0.7
471.35132	0.9
489.35706	24.8
490.36102	1.8
507.36569	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.05508	13.1
57.03430	14.1
57.07063	2.1
59.04996	4.2
61.02922	4.4
65.03930	2.2
67.05499	100.0
68.05807	0.9
68.95303	0.9
69.03433	1.8
69.07064	9.0
69.73060	2.4
69.73444	1.3
71.04996	3.6
73.02905	0.8
79.05486	24.9
81.03403	0.9
81.07050	39.1
83.04979	1.3
83.08606	8.8
85.02890	4.5
85.06537	2.2
91.03952	1.2
91.05470	14.6
93.07037	26.4
95.04964	2.3
95.08595	29.0
97.02892	2.8
97.06532	1.6
97.10183	1.7
98.23493	0.9
105.07013	7.6
107.08578	14.4
109.06483	0.8
109.10145	67.7
110.10482	1.4
111.08078	3.4
117.07023	3.1
119.08567	9.4
121.10141	12.8
123.11729	3.2
125.09597	1.4
131.08559	5.9
133.10135	4.8
135.11671	7.7
137.09636	2.7
145.10112	5.1
147.11713	3.3
149.13264	3.6
155.10640	7.8
159.11682	3.1
159.91504	0.7
161.13255	2.6
163.14793	2.5
164.21480	0.7
173.11751	18.5
173.13242	3.8
175.14806	1.4
187.14806	2.3
189.11259	1.0
227.12790	3.6
229.14325	90.0
230.14697	2.5
243.21016	4.3
261.22159	16.9
279.23267	0.9
311.52219	1.0
317.24741	3.2
335.25766	79.6
336.26053	3.4
397.30554	1.0
415.31866	1.3
471.34860	1.2
489.35730	56.0
490.36011	2.7
507.36655	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	687.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05529	0.6
69.66138	1.9
73.04787	0.7
79.05508	0.4
81.18150	0.5
93.95786	0.4
95.08608	0.5
97.02429	0.5
98.23405	0.8
108.08120	0.6
120.08150	0.8
131.42188	0.5
144.08092	0.7
145.57748	0.5
160.07599	0.5
172.07576	0.7
183.09273	0.6
185.10765	1.0
188.07191	0.5
194.09766	0.7
195.09163	1.3
196.09923	0.7
197.10756	1.4
199.08722	1.5
207.09058	0.6
208.09900	1.6
209.10718	6.6
210.11591	1.9
211.08713	0.6
211.12323	2.4
212.09521	0.5
213.06689	1.3
221.10791	1.2
222.11555	2.0
223.08701	1.8
223.12202	6.1
224.09511	1.0
224.13069	4.0
225.06633	0.6
225.10339	0.6
225.13794	3.3
226.14658	0.5
227.08188	1.5
229.09784	0.6
232.09796	0.9
234.11407	0.7
235.12340	1.8
236.13147	1.2
237.10292	2.5
237.13861	14.1
238.14612	7.8
239.08186	0.7
239.11859	0.9
239.15396	3.1
241.09845	1.5
248.09283	0.6
249.13908	0.8
250.10985	0.8
251.08263	1.1
251.11957	1.5
253.13406	1.7
255.07524	1.1
255.11375	0.8
263.11819	0.6
265.13336	9.3
266.14096	3.0
267.12048	0.6
267.14948	3.9
269.09171	1.2
273.12469	1.8
282.13678	0.8
287.14014	0.7
293.12778	0.9
297.12277	2.6
298.13370	0.6
299.10446	1.0
300.11414	0.6
300.15054	1.2
301.11838	0.9
301.16019	0.6
309.12280	0.8
309.15930	1.1
311.14462	0.5
313.11868	0.7
313.15619	0.8
314.12958	0.8
314.16571	1.3
315.13519	2.7
315.17035	0.6
316.14645	0.7
325.15488	8.3
326.16367	1.1
327.17014	3.3
328.14603	0.9
328.18219	1.6
335.14041	1.4
336.14709	1.1
340.14386	1.1
341.11588	0.7
341.15268	0.7
342.15970	0.9
343.13168	1.4
361.15475	0.5
372.17386	0.8
374.18790	0.9
376.20389	0.7
377.17432	0.6
382.15305	0.6
386.19019	1.2
387.19711	0.8
388.20340	1.5
390.17691	0.6
393.17328	0.9
394.18152	0.7
395.18851	1.1
400.16187	1.1
400.20728	1.0
401.21091	1.2
402.21826	1.5
404.17267	0.7
404.23508	1.8
407.18777	0.8
408.19971	0.6
409.20532	1.2
414.17813	1.1
418.18115	0.8
419.18829	1.4
420.18973	0.5
423.18045	1.8
430.21271	0.8
432.19513	1.8
433.20074	1.5
434.20288	0.7
437.19501	1.1
438.20529	0.8
449.23608	0.8
450.21155	0.6
451.21747	1.0
453.22815	0.6
460.18393	0.8
462.19629	0.7
469.21512	0.8
481.22388	0.7
482.23123	1.9
490.23230	1.8
491.24915	2.6
492.21539	0.8
494.23538	0.6
497.26071	2.8
506.23355	1.2
507.23993	3.2
508.23114	1.0
509.21991	1.2
510.22723	1.6
511.23291	1.0
517.22571	1.0
521.25208	1.4
522.25555	0.9
523.24481	0.9
524.24304	1.4
525.25012	5.0
535.23419	0.8
537.22577	0.7
539.26141	1.7
540.27112	1.2
549.25000	2.7
552.23663	0.9
553.24310	1.5
567.26129	3.8
568.26416	1.4
577.24487	0.7
579.25806	1.9
585.27368	0.9
595.25592	3.6
609.27008	12.2
610.26990	1.0
611.28638	1.3
613.26654	1.7
623.24817	0.7
627.28088	33.1
628.28461	2.3
637.26721	4.9
655.27582	100.0
656.27844	8.7
687.29999	3.9
687.40979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
57.03434	5.5
61.02930	1.9
65.03943	2.0
67.05503	50.6
68.05842	3.7
69.07069	3.4
70.82853	1.6
70.83193	2.1
71.05000	1.6
79.05478	12.9
81.07061	16.4
82.07389	2.6
83.08633	5.1
85.02890	1.5
85.06526	2.2
91.05455	7.1
93.07045	14.4
94.07373	1.2
95.04971	1.8
95.08609	12.2
105.07035	4.2
107.08591	7.0
109.10159	36.4
110.10501	4.8
110.11242	1.1
111.08125	1.5
117.07017	1.4
119.08555	6.6
121.10141	6.0
121.94370	1.1
131.08603	2.9
133.10138	2.2
135.11702	4.0
137.09641	1.5
145.10175	2.0
147.11705	1.4
149.13287	2.1
155.10725	2.6
161.13156	1.6
163.11292	1.2
173.11771	9.4
173.13165	1.9
174.90559	1.2
192.04749	1.1
197.10757	1.0
209.10728	1.3
225.13873	1.8
227.12903	2.2
229.14343	38.8
230.14653	10.1
238.14732	1.7
243.21170	2.6
261.19836	1.2
261.22131	6.4
262.22607	2.9
276.15115	1.7
326.16321	1.6
335.25787	22.8
336.26114	11.3
344.47485	1.3
367.19116	2.9
376.16544	2.3
377.18027	1.4
379.19388	2.3
380.20300	1.5
381.20911	3.6
395.18524	2.0
397.20218	1.6
405.17105	3.4
407.18399	2.6
408.19330	1.6
409.20306	4.6
410.20914	3.5
411.21768	5.8
420.19742	2.2
421.20322	2.6
422.21118	2.4
423.22003	5.0
424.22415	1.9
437.24091	3.0
438.24399	2.3
439.21667	1.9
447.22144	1.9
448.18744	11.2
449.19376	2.4
452.22641	1.8
453.23291	3.0
461.19684	2.0
465.23752	2.3
468.25748	6.6
475.18024	4.9
477.18744	2.2
480.21371	11.4
481.22278	2.8
483.23630	1.6
489.35641	13.1
490.36038	11.2
493.18372	1.9
496.25339	6.4
497.25510	10.3
498.26251	13.1
506.19583	1.4
507.19955	2.0
508.21967	2.7
511.27130	2.0
512.28046	2.0
524.24805	2.9
525.25323	5.7
526.26044	1.5
534.23181	2.0
535.23431	1.9
539.26489	3.6
540.27258	5.4
553.23724	2.0
563.22998	5.6
566.25629	1.9
567.26355	7.3
580.23328	2.9
584.26428	4.9
585.27118	9.0
594.24768	13.5
595.25232	3.5
597.27087	2.2
599.28595	4.8
609.27045	1.8
612.25732	22.8
613.26282	8.0
623.24304	3.1
627.28076	29.6
628.27966	2.3
637.27185	6.1
655.27521	44.8
656.28229	5.1
687.30225	100.0
688.30164	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	687.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	2.2
55.05499	0.9
56.05041	0.3
58.30410	0.3
69.03406	0.8
69.14586	2.0
70.06562	0.6
71.04960	0.3
72.05621	0.9
72.08153	23.1
72.93887	0.3
73.02870	0.3
79.05474	1.2
81.03400	0.7
81.07045	1.5
85.02874	1.3
85.06525	0.3
93.07004	0.4
94.04189	0.3
95.04942	0.6
95.08582	0.4
97.02892	0.8
97.07647	13.1
105.01852	0.5
108.05784	0.3
109.02859	0.8
109.06506	0.9
114.10284	25.8
117.03362	0.4
119.04965	0.5
122.03639	0.6
124.05182	1.1
127.03903	1.0
137.05933	0.9
139.07538	2.4
145.02803	0.7
145.04916	0.4
147.04381	1.7
151.03981	0.4
152.04655	2.8
154.06252	0.4
163.03891	0.8
167.07043	2.0
169.08623	0.5
177.05438	1.2
185.08124	0.7
194.08128	0.6
195.06512	76.4
196.06862	2.1
208.76627	0.3
212.07155	0.3
212.09207	0.4
233.26329	0.4
245.04411	0.3
301.03583	0.4
309.14328	0.9
309.18021	0.3
311.18271	0.4
313.03622	0.8
326.17072	100.0
327.17346	4.1
353.02798	0.4
449.09006	0.3
613.30975	0.4
660.25708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12041	1.1
53.03934	2.3
55.01864	4.6
57.03425	3.6
61.02907	4.3
65.03946	1.2
67.05493	1.8
68.99790	1.4
69.03424	18.9
69.06586	1.9
69.06988	7.0
71.04962	1.2
73.02905	3.5
79.05502	1.4
81.03408	14.0
83.02158	1.1
85.02898	30.6
87.00807	7.3
91.03954	2.1
91.05462	1.8
91.36082	1.0
95.04971	13.2
97.02886	11.8
99.04454	4.3
103.03934	2.7
105.01868	7.1
105.07008	1.7
107.04939	1.2
109.02883	11.3
109.06487	1.3
117.98927	1.0
121.06505	3.5
123.04451	1.7
127.03900	20.1
129.01851	1.9
129.07034	1.2
131.08562	1.8
133.06483	2.8
135.04448	1.5
137.05946	3.2
145.04933	5.8
145.06421	1.2
154.07800	1.3
155.08562	1.4
157.06439	1.4
158.07256	1.9
159.02878	4.5
159.08034	1.8
159.11613	1.6
161.05952	10.5
163.06030	1.5
169.10089	3.7
172.08847	3.4
173.09532	2.6
175.07524	4.0
179.08543	3.3
182.07271	3.9
185.05943	2.1
185.09531	1.7
187.07541	2.9
187.11111	2.4
197.09607	6.5
198.06703	2.6
199.07515	2.1
200.08328	3.2
201.09087	5.0
203.07097	1.5
205.93230	1.1
210.06787	1.2
212.08275	1.4
213.09108	4.5
215.07245	1.1
215.10654	19.9
215.12560	1.8
225.09088	8.5
226.09795	1.9
227.10670	1.3
228.07745	5.4
229.12204	1.1
231.04927	2.4
239.10582	2.6
241.08525	6.0
242.09099	1.6
243.10149	100.0
244.10507	3.2
255.10182	7.1
257.11716	3.5
267.10223	2.8
285.11203	13.6
297.11288	1.4
309.11169	1.3
343.10361	1.0
351.12000	1.5
387.14111	2.0
405.15320	4.2
447.16599	17.0
455.13321	2.1
473.14252	2.1
491.15466	70.4
492.15768	4.4
609.20642	1.6
653.20569	12.0
689.20435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43192	0.4
55.01865	0.9
55.05502	0.9
57.03411	1.7
60.34491	0.4
61.02905	0.9
68.09136	0.4
69.03416	2.1
69.68285	0.3
71.01337	0.9
71.04993	2.9
73.02893	1.2
75.04474	0.4
76.72984	0.5
81.03396	0.8
83.04976	3.6
85.02412	0.7
85.02902	14.1
85.44925	0.3
95.04934	0.6
97.02861	1.0
99.04428	0.4
103.03948	0.8
106.06516	0.4
109.02851	1.0
111.04444	3.9
113.02368	3.1
123.04411	0.5
123.96413	0.4
127.03873	1.3
129.05466	1.8
131.03383	4.4
135.04422	0.5
143.03352	0.5
145.07568	0.5
147.06502	0.6
151.08679	2.9
157.05046	0.9
160.06273	0.6
163.03911	1.8
173.04544	0.5
173.07094	7.1
187.08650	1.6
191.08139	50.2
192.08444	1.1
195.06560	0.5
205.09721	2.2
215.05351	0.6
215.08144	2.2
215.10332	0.7
228.07816	0.7
232.10823	6.1
233.09189	60.0
234.09479	1.5
243.10152	3.9
250.11848	100.0
251.12273	2.1
261.11218	0.5
275.10345	0.6
292.12900	0.7
365.10599	1.1
379.15903	0.7
380.16415	0.6
412.17154	10.8
422.15515	0.8
491.15381	1.8
501.90295	0.5
526.20117	1.9
527.15845	2.6
542.99780	0.4
623.81927	0.5
653.20660	0.5
688.25085	0.9
689.20911	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	688.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01866	1.1
55.05497	1.0
57.03421	1.1
57.07071	0.6
57.27392	0.2
61.02914	1.0
62.05535	0.3
63.02374	0.3
67.05510	0.3
68.99771	0.4
69.03063	0.4
69.03427	6.5
69.07061	0.8
70.62209	0.4
71.04973	0.8
73.02906	0.9
77.03941	0.3
79.05487	1.4
81.02959	0.5
81.03410	7.0
81.07056	1.5
83.01328	0.3
83.08610	3.7
85.02901	13.6
87.00825	6.3
87.17303	0.3
89.03905	3.6
91.05480	0.7
93.07035	1.5
95.04984	0.4
95.08571	0.6
97.02885	5.8
97.10152	0.4
99.04448	2.1
103.03938	0.3
105.01154	0.4
105.01862	6.2
105.07021	0.8
107.04937	1.0
107.08570	1.1
109.02875	7.9
117.01910	0.3
117.03367	4.9
121.10139	5.4
123.11668	0.4
127.03909	14.4
129.01814	0.4
135.04413	12.3
139.11192	0.3
139.14799	0.3
145.02844	11.2
145.03951	0.7
145.04900	3.2
146.03151	0.3
147.02873	0.4
149.09593	3.1
157.15863	1.7
159.02934	1.8
163.03893	100.0
164.04239	1.3
167.06978	0.7
167.10680	1.3
169.04971	0.3
175.16888	1.9
181.04947	4.8
189.03963	0.5
213.03940	3.1
223.06097	0.3
231.04967	6.9
231.07379	0.4
249.06068	1.9
265.18015	0.6
273.06116	1.7
283.13251	0.5
283.19244	0.4
289.07056	0.7
307.08252	2.4
311.12363	0.4
325.09128	6.9
326.17062	0.4
339.07236	0.4
343.20892	0.3
357.08167	0.4
369.19000	1.1
387.20050	1.1
400.85040	0.3
405.21204	0.9
406.37662	0.3
436.89941	0.3
443.08594	0.4
461.09216	0.4
473.17990	1.2
479.10223	0.5
491.19217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01860	1.2
55.05511	1.0
57.03436	3.0
57.07080	0.9
57.61485	0.5
59.04987	1.7
59.43243	0.8
61.02922	7.2
67.05496	1.3
69.03069	0.8
69.03425	10.8
70.06565	0.7
70.98154	0.6
71.05005	0.8
73.02911	4.4
75.04482	1.1
78.05574	0.6
79.05493	7.4
81.03418	3.8
81.07053	19.5
82.07412	0.6
85.02901	46.5
86.03195	0.6
87.04457	1.5
91.03944	7.4
91.05476	2.8
93.03016	0.6
93.07036	18.7
95.04962	2.2
95.08598	11.6
97.02883	14.6
97.06514	2.1
99.04462	2.4
105.07029	5.3
107.04964	1.4
107.08595	5.6
108.79686	0.6
109.02863	3.9
109.06483	1.2
111.04408	1.2
111.08089	1.9
113.69562	0.7
115.03951	1.2
117.03375	1.0
118.25141	0.7
119.08587	1.6
120.46690	0.7
121.06516	1.3
121.10138	100.0
122.10490	2.2
123.08094	1.5
123.11704	19.2
125.05962	5.8
127.03896	13.8
133.10016	0.7
135.04384	2.2
139.11168	12.2
145.02890	1.8
145.04944	21.7
147.07990	0.8
149.09602	13.1
150.09973	0.6
163.03917	16.0
163.06000	19.2
167.10667	74.0
168.11028	1.5
181.04903	0.9
185.11723	6.5
265.14084	0.8
275.12964	0.6
283.15457	1.4
289.09244	1.0
293.13846	1.2
311.14838	7.1
325.11523	4.4
329.15894	6.8
366.72549	0.6
481.37720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
51.41797	0.5
53.03937	5.7
55.01868	5.4
55.05508	5.4
55.50111	0.6
57.03433	5.7
57.07074	4.7
59.27600	0.5
60.60495	0.7
61.02925	4.8
67.05504	1.5
68.99780	3.4
69.03425	35.5
69.07059	5.0
69.16408	1.3
69.16817	2.3
71.01344	0.8
71.04989	4.6
73.02907	4.0
73.47066	0.6
77.03935	0.7
79.05493	1.5
79.64752	0.6
81.03410	28.3
81.07043	3.7
83.04993	1.3
83.08611	19.6
84.27095	0.6
85.02898	70.6
86.03254	0.6
87.00822	31.7
89.03906	3.2
91.03957	1.2
93.07046	1.6
95.04977	1.6
95.08584	1.7
97.02886	26.3
97.10156	3.9
99.04448	11.4
100.11235	0.9
103.03965	1.1
105.01856	31.8
105.07058	1.0
107.04938	1.7
107.08604	0.9
109.02870	50.7
110.03198	1.1
111.04434	1.5
115.03951	0.8
117.01855	2.7
117.03377	5.0
121.10136	6.4
123.04425	1.3
123.11677	0.7
125.02350	0.7
127.03905	85.8
127.36621	0.6
128.04240	0.8
129.01811	2.6
133.06474	0.8
133.10115	0.7
135.04404	12.1
135.05365	1.1
137.13231	1.6
139.14774	1.6
140.32300	0.6
145.02859	10.1
145.04938	15.0
147.02885	1.9
147.04459	0.8
149.09618	3.0
151.03911	2.0
157.15848	9.5
159.02864	9.8
163.03888	100.0
164.04305	2.0
167.10721	1.1
169.04955	2.3
171.02821	1.5
175.16928	13.8
177.05405	1.1
178.90845	0.6
181.04948	5.6
183.02850	0.7
187.05949	1.4
189.03929	3.8
189.05447	0.9
193.04950	1.3
213.03926	17.5
229.14583	0.8
231.04970	43.8
232.05307	0.9
235.05942	0.7
249.06021	6.9
253.07043	1.0
265.17993	1.9
273.06006	9.8
283.18973	2.2
289.07080	1.1
297.06003	0.8
307.08047	2.8
313.11676	0.7
315.06967	1.8
325.09006	6.1
326.17172	0.6
332.43100	0.7
339.07098	3.9
343.21033	2.7
357.08142	2.2
369.19138	6.7
387.20111	10.8
405.21347	4.7
423.23242	1.3
425.07275	0.7
425.25229	0.8
443.07959	2.3
461.09195	3.8
469.37189	0.6
473.18207	1.3
479.10287	1.3
490.15405	1.0
689.29089	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	688.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19458	0.7
52.96702	0.7
53.03944	5.6
55.01869	5.1
55.05515	1.6
57.03429	10.9
61.02922	8.1
68.99777	1.8
69.03423	37.7
69.07066	5.4
70.06573	1.2
71.01344	1.6
71.04987	5.7
73.02910	16.1
79.05482	1.9
81.03413	30.3
81.07070	1.0
83.04955	0.8
85.02898	97.8
87.00821	48.4
87.04441	1.4
91.03948	1.9
91.05463	1.7
93.07029	7.8
95.04968	1.5
95.08589	1.1
97.02885	54.9
97.06516	1.2
98.10333	0.7
99.04449	14.8
101.02385	1.0
103.03956	1.5
105.01858	100.0
105.07025	1.5
107.08565	2.0
109.02871	43.4
111.04434	0.8
115.03930	3.0
117.01833	2.7
117.03318	1.4
119.08543	1.2
121.06492	1.4
121.10139	7.7
123.04426	0.7
125.02366	1.4
127.03904	95.5
128.04265	1.4
129.01791	3.5
135.04408	1.7
135.08038	0.7
137.06003	0.8
139.03920	0.8
143.33521	0.8
145.02858	2.5
145.04945	37.8
147.02890	2.5
147.11679	2.6
148.11975	1.6
149.09575	2.8
151.03964	0.8
159.02875	12.9
162.39261	0.8
163.03885	14.6
163.05998	1.0
167.10681	2.4
169.04959	1.5
171.02876	1.5
177.04044	0.9
177.05482	2.5
181.04924	1.0
189.03969	4.3
191.14290	5.7
192.14603	3.1
195.06566	0.8
199.04195	0.7
199.05974	0.9
213.03903	15.3
223.05986	1.4
231.04982	46.9
241.06975	0.8
249.06017	28.1
250.06346	0.9
253.07144	5.7
271.08057	4.1
273.06021	2.2
311.14932	1.7
325.09036	1.0
327.06812	0.8
357.08224	3.8
375.09045	3.2
393.10294	5.1
411.11139	1.5
687.47040	1.1
688.28241	1.3
688.47437	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	688.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.07073	33.9
59.04991	0.8
62.41859	0.6
69.07063	2.4
71.08629	26.4
71.45448	0.9
73.02932	0.9
73.06548	9.1
75.40532	0.6
83.08596	1.7
85.10175	17.6
87.04460	9.3
89.06024	100.0
90.06349	0.8
97.10167	3.5
98.09674	1.0
99.11727	4.0
107.07064	2.7
111.11714	2.7
113.13264	2.3
117.09124	7.8
123.63361	0.6
130.08606	1.4
131.07091	2.2
133.08595	46.3
135.10127	1.1
139.99384	0.6
161.11732	1.7
169.19524	2.8
172.84590	0.6
175.09671	1.5
177.11217	17.9
179.12703	0.9
196.07227	1.0
213.22127	2.8
221.13847	3.9
223.15369	0.8
239.14972	1.3
257.24725	6.4
257.33917	0.7
283.17471	1.0
301.27362	4.6
304.01971	0.7
304.42505	0.7
327.20044	0.8
341.27985	0.6
361.48425	0.7
391.84930	0.7
442.04379	0.8
447.87369	0.6
447.94849	0.8
503.30313	1.5
527.15540	1.4
539.01105	0.7
671.49200	2.1
688.52130	1.5
689.20490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67638	0.5
73.02877	0.5
82.87963	0.4
82.99812	1.0
94.99844	0.6
101.00857	3.5
113.00821	1.1
119.01904	6.2
122.01250	0.5
127.02354	1.3
131.01901	2.8
133.03426	0.6
137.01855	0.6
139.02322	0.9
143.01892	12.8
145.03452	6.7
147.01305	1.2
155.01880	29.5
156.01973	1.1
157.03458	3.9
158.02356	0.5
161.02969	10.1
164.02408	1.4
167.01874	2.6
169.03456	6.5
171.01340	0.9
173.02950	29.0
173.52983	0.7
174.03108	0.8
175.04398	0.9
181.03392	0.7
182.03432	0.6
183.04996	1.1
185.02950	15.9
186.03133	1.0
187.04536	4.7
191.04047	0.7
194.03452	0.6
197.02921	6.2
198.31932	0.6
199.04453	2.0
203.03958	11.7
209.02931	1.8
211.04478	1.1
215.03996	6.7
221.04979	0.6
224.04407	1.9
227.03928	3.8
229.05530	1.5
230.04510	0.7
233.05075	0.8
245.05035	22.5
246.05235	0.8
254.05472	0.9
255.01814	0.5
257.05048	8.3
257.07611	1.0
261.05441	0.5
262.05328	0.6
262.55399	0.5
263.06100	4.8
269.05127	1.2
275.06104	3.9
280.35718	0.5
287.06113	5.2
293.07153	2.3
296.06564	1.2
305.07111	6.4
308.19983	0.5
317.07361	1.1
323.08154	1.3
326.07755	1.0
329.07101	1.1
347.08194	30.7
348.08548	1.8
365.09442	20.0
366.09531	0.9
377.09412	0.7
383.10513	0.7
407.10315	100.0
407.60507	1.7
408.10577	6.3
422.11261	1.2
425.11557	0.7
437.11487	6.8
437.61761	0.9
467.12537	13.4
467.63016	0.6
468.13171	0.9
509.14294	1.5
527.15778	25.9
528.16669	0.6
610.94666	0.6
629.15491	0.7
689.20990	23.4
690.21313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2069
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
52.17271	1.0
73.02908	1.1
80.03094	0.8
85.02898	1.8
97.02908	1.0
101.00889	2.3
111.04465	0.9
119.01920	5.2
120.08109	3.3
127.02419	0.9
131.01932	3.0
143.01877	10.7
145.03482	5.1
155.01883	26.3
157.03387	4.4
161.02974	10.3
166.08536	3.4
167.01926	2.1
169.03430	5.1
171.05063	0.9
173.02959	30.5
173.04402	2.0
179.02013	1.4
185.02928	13.8
185.04214	1.3
187.04514	4.9
193.50032	1.0
196.04672	0.9
197.02917	5.6
199.04550	1.3
203.03845	9.3
209.02971	1.9
211.04565	1.4
215.04018	7.0
227.04018	4.4
229.05528	1.0
239.03926	0.9
245.05043	17.9
245.07269	1.3
246.05298	1.1
257.05060	8.0
263.06110	4.7
275.06329	2.7
287.06042	5.8
293.07333	1.7
305.07138	6.9
323.08203	1.4
347.08209	30.9
348.08417	2.0
365.10150	31.8
366.10010	0.8
383.10257	0.9
407.10342	100.0
408.10464	6.5
437.11789	5.3
467.12729	13.0
467.62067	1.0
509.14474	2.9
527.15808	98.0
528.15930	4.1
689.21045	86.3
690.21478	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	689.2106
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
53.25883	0.7
69.34531	4.2
81.95512	0.7
112.19729	0.7
185.04245	1.4
202.11896	0.7
203.05162	2.6
209.04666	0.8
305.08209	1.5
347.09384	6.7
365.10532	24.8
407.10834	3.1
437.12646	1.3
467.13660	3.5
509.14667	3.7
527.15796	100.0
528.16187	4.5
564.57324	0.9
635.24591	1.0
689.21027	91.7
690.21509	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	689.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40284	0.6
70.05394	1.9
98.23450	0.6
98.53017	0.6
101.00809	0.6
119.01880	0.9
119.66091	0.5
131.01784	0.6
143.01825	2.3
145.03366	0.9
155.01900	5.8
157.03424	1.1
161.02885	1.3
169.03433	0.7
173.02945	6.1
185.02849	3.2
185.04301	0.8
187.04422	0.9
203.03847	1.9
203.05377	1.6
227.04013	0.7
245.05032	3.2
257.05038	1.2
304.25003	0.7
305.08118	0.9
336.52820	0.6
347.08661	6.2
365.10516	22.3
407.10324	20.4
407.60294	0.7
408.10797	0.9
437.11887	1.5
467.13098	5.4
509.14749	2.5
527.15820	90.4
528.16284	4.4
689.21045	100.0
690.21594	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	689.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
67.05499	4.0
76.28631	1.4
77.28627	1.0
79.05483	3.6
81.03417	3.2
81.07042	3.9
83.08621	1.9
83.43628	1.2
89.06045	1.3
91.05454	2.7
93.07033	3.5
95.08610	2.7
105.06998	2.6
107.08590	2.1
109.10156	1.4
117.07037	1.5
119.08575	1.8
131.08557	2.5
133.10098	1.8
145.10066	2.4
157.64653	1.3
159.11592	1.3
235.06519	1.3
235.93967	1.0
335.25534	1.7
362.96417	1.2
384.11984	3.0
385.12894	5.1
386.13510	1.4
398.13605	11.1
399.14493	17.8
400.15298	21.9
401.15994	2.4
411.14566	2.5
412.15295	11.8
413.10901	2.1
413.16040	24.5
414.16940	12.6
415.17035	2.5
416.14993	2.2
418.17639	2.0
424.15384	2.0
425.16342	1.9
426.16718	4.8
427.12759	2.2
427.18243	20.5
428.18634	19.5
429.19397	14.2
440.15054	1.4
441.14914	10.6
442.16312	14.9
443.16818	1.5
446.17007	1.8
455.17111	44.3
456.17722	21.4
457.18539	2.1
458.15866	4.3
459.16174	2.8
469.14923	3.4
472.17368	2.6
481.14935	3.3
482.15646	1.8
483.16599	28.4
484.16705	6.2
486.18948	2.2
487.15942	1.4
487.19760	1.9
495.16638	2.5
499.15976	10.3
500.17007	1.4
501.17310	1.3
511.19598	4.3
515.18982	2.8
523.16077	3.4
527.15552	31.6
527.37067	2.8
528.15796	8.4
529.15363	1.6
537.16254	1.4
538.18207	1.5
539.19281	11.3
541.20221	1.3
543.22443	23.5
544.22101	1.9
555.18427	3.3
571.21820	100.0
572.22046	10.6
574.24231	9.1
587.20959	3.4
601.22998	10.0
602.14093	2.4
602.23694	44.1
603.23969	5.4
615.21057	4.2
617.25586	4.1
629.22333	35.8
630.13678	2.0
630.22852	28.1
631.22852	3.7
633.25275	1.4
643.23761	2.0
657.21844	62.0
658.22510	8.3
661.25208	8.9
689.24493	20.1
689.41785	1.6
690.24304	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	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67186	0.9
62.56468	0.8
67.05509	3.1
69.07043	1.0
78.21860	0.8
79.05505	2.5
79.29561	0.7
81.03403	1.5
81.07037	2.1
91.05486	1.1
93.07046	2.0
95.05009	1.1
95.08634	2.2
98.23515	1.5
105.07028	1.5
105.09564	0.9
111.05524	1.1
119.08548	1.0
121.10165	1.3
133.08568	0.8
135.08054	0.9
135.19118	0.9
173.04349	1.1
187.55496	0.9
257.43988	0.9
366.11096	1.0
383.86661	0.9
385.14169	1.2
397.13120	2.1
398.13766	7.1
399.14404	4.6
400.16397	8.1
411.14526	1.8
412.15298	9.4
413.15991	13.1
414.16669	2.3
416.15021	2.7
418.17514	2.6
424.15436	1.1
425.11560	1.0
425.16666	1.3
426.16785	3.7
427.12747	1.2
427.17792	16.4
428.18600	16.0
429.18851	3.5
430.16571	1.1
440.14825	3.0
441.15576	3.6
443.13373	1.4
445.19156	2.2
446.17236	1.5
455.17139	51.9
456.17661	9.2
457.14865	1.5
458.15802	7.2
459.16721	4.2
469.15088	3.7
471.16849	3.6
472.17020	3.1
473.18198	1.7
483.16647	37.5
484.16754	4.2
486.18738	2.7
487.20059	9.0
488.16147	1.0
501.17520	1.7
515.19263	5.8
516.20142	2.2
523.16138	2.9
527.15131	8.9
537.17743	1.3
538.18109	1.2
555.18713	4.0
569.20807	1.2
570.20630	3.0
574.24194	14.2
575.24042	1.4
587.20795	1.9
597.20148	1.1
601.22852	8.3
602.23688	100.0
603.23975	10.0
629.22412	25.0
630.22760	4.3
633.25476	4.7
643.24341	5.7
657.21826	16.4
658.22021	1.2
661.24951	4.6
689.24597	6.0
689.41028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13379	1.2
53.20361	1.1
54.37252	1.2
55.05495	3.2
56.91233	1.2
62.81746	1.2
67.05507	3.5
69.41434	5.9
79.05492	4.5
81.03416	2.0
81.07070	4.6
81.87724	1.2
85.44200	1.3
90.68293	1.2
91.05482	2.8
93.07022	3.0
95.05006	2.1
95.08598	2.8
97.06577	1.4
105.07010	2.0
107.08618	1.6
119.08624	2.0
131.08553	1.8
135.11719	1.6
145.10092	1.5
159.11667	1.6
164.10765	1.9
183.01836	1.4
187.10329	1.3
196.48373	1.9
225.13857	2.0
238.14886	1.7
249.13733	1.5
261.10220	1.5
263.11890	1.5
269.43460	1.4
306.12473	1.6
310.23877	2.2
314.16382	2.0
316.14435	1.9
318.15836	2.3
323.14157	2.1
342.19894	2.0
364.18124	1.4
365.17801	1.6
366.18793	1.6
367.19498	2.4
379.19083	2.5
381.20911	3.9
393.21396	2.3
394.17709	7.9
395.18390	3.8
397.20099	1.9
407.22675	2.1
408.19464	2.1
409.20197	39.4
410.20770	5.0
421.20157	2.5
423.21811	14.6
424.22586	18.7
425.23355	1.9
429.20493	4.9
435.21765	3.3
437.23929	2.2
439.17581	3.7
449.19815	2.0
451.21518	4.4
453.18811	9.4
454.19907	3.7
455.24225	2.5
463.21500	2.1
465.23294	2.0
467.21176	4.4
468.21515	2.1
469.22205	2.9
481.22546	5.3
482.22876	3.2
483.23813	5.1
492.21649	1.7
493.17770	2.2
493.22928	2.3
495.24420	2.3
496.25345	1.9
497.25534	27.7
498.26096	6.0
509.22018	4.1
511.22650	1.8
525.25275	2.5
526.22430	1.8
527.22827	5.1
527.36981	1.3
537.21667	2.7
540.23535	2.2
541.24323	32.6
542.25214	9.0
553.20459	6.5
554.21967	1.8
567.26343	5.2
568.23254	3.6
569.23718	4.9
579.22589	4.4
584.26270	22.8
585.26758	3.1
586.27649	3.6
587.25427	1.8
596.23083	1.7
597.23712	1.6
611.25195	11.3
612.25366	2.4
628.25055	3.8
629.25958	8.9
630.26245	3.6
639.24512	18.6
640.24457	1.6
644.48499	3.0
657.23560	2.5
671.27100	96.1
672.27252	6.0
688.51416	4.4
689.28162	100.0
690.28613	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	689.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03678	1.1
61.25277	1.1
67.05479	2.4
69.07053	2.1
71.37910	1.1
78.97034	0.9
81.07037	2.7
91.05481	1.7
93.07053	1.5
95.08620	2.6
95.44704	1.0
95.79712	1.0
98.23438	2.6
100.11362	1.3
105.07000	2.0
107.08619	1.6
145.10139	1.4
145.33237	1.4
147.11703	1.2
149.63988	1.2
184.07358	1.4
195.09200	2.1
196.09985	1.6
197.10689	1.2
202.56110	1.1
208.09904	1.7
209.10742	5.3
210.11464	2.6
211.12328	2.3
221.10854	1.5
222.11401	2.6
223.08769	2.4
223.12167	6.9
224.09389	1.7
224.13087	4.8
225.06747	1.7
225.10260	1.3
225.13887	5.6
226.14568	1.5
227.08325	1.2
235.12198	1.5
237.10287	1.8
237.13876	13.3
238.14671	6.7
239.08226	4.1
239.15428	2.3
251.11896	2.7
252.12793	1.4
253.13333	3.0
265.13284	5.6
266.14166	2.7
267.07700	2.1
271.11118	1.5
281.09235	2.5
285.08865	2.8
297.12250	1.5
299.10373	1.7
325.15527	3.9
326.16171	1.7
327.09769	8.4
366.65948	1.2
407.18674	1.9
421.19992	2.3
448.20206	1.6
449.19897	2.4
463.21542	1.5
477.18893	2.8
491.20706	2.6
493.22638	2.6
494.19336	1.5
509.21625	2.4
519.20050	2.7
527.36694	1.7
536.20618	1.3
537.21228	3.3
550.30225	1.3
551.22455	3.6
552.23425	3.2
561.21161	1.6
579.22235	10.1
589.20880	1.3
595.25079	1.4
597.23212	2.8
607.21344	1.5
611.23737	4.1
621.23364	4.4
625.28436	1.5
639.24457	100.0
640.24579	6.6
671.27271	13.0
688.54016	3.2
689.40869	2.8
714.81824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28819	1.0
69.54071	2.4
74.00629	0.8
88.91695	1.0
95.22104	0.8
98.22755	1.8
98.66074	0.9
112.73405	0.9
172.93333	0.8
198.40540	0.9
199.62021	0.9
364.15747	1.0
441.20966	1.1
445.20520	1.0
454.18140	1.3
455.18140	1.1
457.19617	1.2
459.21948	4.4
460.22714	1.3
469.19858	4.4
470.21097	2.6
471.22119	1.6
482.21323	1.2
483.21768	14.7
484.22571	8.3
485.23499	4.7
499.25046	1.5
519.23828	1.2
527.23950	1.5
533.25427	3.2
543.23859	3.0
556.24890	2.1
557.25287	2.1
585.25464	1.2
587.26862	1.4
592.26862	3.5
601.28314	1.0
616.26807	14.6
617.27435	7.5
629.31329	3.1
631.28973	2.5
671.31799	1.0
688.47711	1.0
689.33295	100.0
690.33777	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	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05515	1.5
57.03437	1.3
61.02927	3.3
67.05502	4.6
68.17486	0.6
69.03423	2.0
69.07069	0.8
69.65987	2.6
73.02863	3.3
79.05491	7.2
81.03438	1.9
81.07054	4.9
83.05015	1.0
83.08597	0.8
85.02929	2.8
91.03960	1.6
91.05476	5.0
93.07041	5.7
95.04990	1.6
95.08611	3.5
97.02898	3.6
99.04470	1.1
100.11285	0.9
101.02391	1.6
105.07026	4.7
107.04958	0.6
107.08633	1.9
109.06527	0.7
117.07025	1.4
119.08611	2.7
121.10155	0.7
123.08048	0.7
127.03975	1.9
129.07033	2.4
131.08620	1.5
133.10155	1.7
143.08572	1.3
145.10202	0.9
147.11682	3.1
157.04724	0.6
170.77885	0.6
171.11757	2.4
189.12761	0.7
211.12277	0.8
212.12952	0.7
223.12354	0.9
224.13081	1.1
225.13948	2.1
237.13850	3.2
238.14737	1.8
239.15511	1.9
242.98376	0.7
243.08519	2.0
247.13104	1.5
253.13277	1.0
258.71194	0.7
261.08795	1.3
265.13422	1.5
266.14264	0.8
267.14975	1.4
281.17572	0.8
289.09067	0.6
303.09680	0.8
303.15775	1.0
314.16907	1.0
323.47189	0.7
325.15399	1.0
327.17081	1.0
346.15790	0.7
353.24969	0.8
390.22150	0.9
427.21588	0.8
445.29358	3.3
465.20929	13.3
465.27112	1.1
466.21414	0.9
468.21918	0.7
499.23578	1.1
500.24698	1.2
509.22125	0.9
527.22888	1.0
528.23779	1.2
537.21851	0.9
587.25623	2.0
597.23718	3.1
613.26514	1.0
615.24640	3.4
629.26050	4.3
647.27612	2.3
657.25476	21.2
658.25989	1.6
688.55737	1.3
689.35223	100.0
690.35974	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03434	0.5
61.02928	4.7
67.05505	0.8
69.03424	1.2
73.02917	1.8
79.05490	2.1
81.03416	1.4
81.07060	4.1
83.04971	0.9
85.02903	9.4
85.03418	0.5
91.03954	6.2
91.05471	4.5
91.05991	0.5
93.07047	1.5
95.04963	1.9
95.08614	2.8
97.02885	3.7
99.04421	0.4
103.05456	8.0
103.06104	0.5
105.04533	0.5
105.07046	2.2
107.04963	1.7
109.02891	0.6
109.06524	2.1
119.04935	5.0
120.08100	100.0
121.02870	0.6
121.08456	1.5
123.08059	6.7
125.05957	0.7
127.03912	3.3
131.04910	2.1
133.06483	4.2
135.04410	0.4
137.05966	4.1
145.04956	5.4
147.04391	5.6
149.05940	2.0
151.07526	7.1
163.06013	9.8
165.04074	0.4
165.05476	7.4
166.08621	45.8
167.08983	1.2
169.08629	3.4
173.04428	0.5
183.06508	1.1
191.08162	0.3
250.11833	0.5
313.12540	0.6
325.11249	2.7
348.08499	0.5
366.10712	0.5
407.10400	0.7
408.10437	1.0
453.05258	0.3
527.15656	0.8
528.15906	2.3
529.16577	0.3
690.21210	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	690.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05496	0.6
57.03438	3.0
57.39029	0.4
61.02911	1.5
69.03419	2.8
71.01337	0.9
71.04987	4.3
73.02913	11.5
75.04430	0.4
81.03405	1.0
83.04973	2.7
83.85757	0.4
85.02898	10.9
87.04441	0.7
97.02888	3.0
98.23437	1.0
99.04436	0.6
106.06509	0.5
109.02872	0.8
111.04428	1.7
115.03884	2.3
124.59208	0.4
127.03923	1.2
129.05464	1.6
133.05037	0.7
147.06575	0.9
151.08630	2.5
160.06221	0.6
161.07050	0.8
173.07104	7.6
187.08644	1.1
191.08138	54.1
192.08458	1.3
195.06577	0.4
205.09732	2.2
209.66731	0.4
215.08139	2.3
232.10802	5.5
233.09186	62.2
234.09531	2.8
250.11845	100.0
251.12236	3.2
257.09204	0.9
261.09711	0.4
274.11942	0.6
275.10233	1.4
292.12875	1.5
365.13348	0.5
379.14975	0.5
382.16083	1.1
396.17569	3.3
412.17126	29.8
413.17239	1.4
528.21930	0.5
544.20502	0.6
558.22699	2.7
626.99762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.03431	3.7
58.48754	1.1
61.02927	39.0
67.05512	6.1
69.03436	8.5
70.82095	2.1
73.02914	18.4
73.40426	1.0
79.05476	9.3
81.03430	6.7
81.07058	17.0
83.04967	7.0
85.02903	67.5
86.03231	1.5
87.91351	1.4
87.98280	1.1
88.54021	1.2
91.03379	2.9
91.03953	60.0
91.05450	7.2
93.07035	5.4
95.04958	2.7
95.08598	26.8
97.02884	26.3
97.89013	1.1
99.04448	3.5
103.03941	2.2
103.05462	8.6
105.07031	24.9
105.09601	1.2
107.04962	4.3
107.08579	1.5
109.02909	3.0
109.06512	8.2
111.04412	1.3
115.03919	4.5
119.04933	4.7
120.08100	100.0
121.06504	1.8
121.08459	1.9
123.08064	64.8
125.06004	6.0
127.03912	23.4
131.04921	3.3
133.06485	48.1
137.05980	4.2
145.04953	40.1
147.04399	4.8
149.05986	2.2
151.07538	73.2
163.06015	96.8
165.05455	12.0
166.08629	56.4
167.08939	1.8
169.08588	37.5
175.07510	1.6
183.06494	2.4
193.08589	2.2
268.77994	1.3
295.11716	2.6
307.10138	1.9
313.12848	7.9
325.11273	28.2
377.47650	1.2
528.15961	1.6
690.21710	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	690.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.05598	0.2
57.07057	0.3
61.56546	0.3
67.05505	1.7
69.03416	1.0
69.07046	0.5
69.65764	0.2
70.06555	0.4
71.04979	0.3
73.02899	0.4
77.98405	0.3
79.05482	0.5
81.03410	1.7
81.07056	3.6
85.02889	2.0
85.06541	1.8
87.00805	0.4
89.03908	3.4
93.07044	0.6
95.04950	1.0
95.08599	1.3
97.02889	1.4
99.04462	0.6
105.01832	0.5
107.04948	1.0
107.08605	0.4
109.02886	1.7
109.06501	0.3
109.10155	2.0
117.03359	5.0
121.73907	0.3
123.11716	2.4
127.03858	1.3
127.11179	2.7
133.02858	0.3
133.15660	0.3
135.04407	10.9
137.09616	0.3
145.01680	0.6
145.02841	9.8
145.04895	0.4
147.51804	0.3
151.11153	0.5
163.03889	100.0
164.04225	2.3
169.12219	4.6
177.05478	0.5
181.04938	7.3
187.13376	0.3
271.98599	0.3
281.10101	0.5
289.07193	1.1
295.15244	0.3
297.13010	0.3
299.11447	0.3
307.08026	2.1
315.14322	0.5
325.09091	6.2
347.18610	0.4
444.75223	0.3
457.18466	0.3
475.20038	0.3
493.20673	1.7
559.38348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03947	1.7
55.01874	1.0
55.05498	0.8
57.76091	0.7
61.67129	0.7
64.14595	0.7
67.05492	1.1
68.31374	0.8
70.06589	8.9
70.37904	1.2
71.04997	0.9
75.04476	3.4
77.03935	0.9
79.05476	2.0
79.35246	0.7
81.03422	1.8
81.07059	1.9
82.06589	0.7
85.02884	1.1
91.05482	2.3
93.07078	0.8
94.06562	2.0
95.04956	10.0
95.05530	0.8
105.03386	65.8
105.04412	4.8
105.07062	1.8
106.03705	1.8
108.08114	4.3
109.06503	1.0
111.08092	0.9
115.05560	1.0
117.06998	1.1
119.08594	0.8
120.08189	1.4
121.02926	0.6
121.06448	0.6
127.03915	1.4
129.06993	2.3
130.86563	0.8
131.04915	0.8
131.07289	1.2
131.08524	1.1
132.08060	1.3
137.05952	0.9
138.09181	2.5
143.08687	0.9
144.08083	2.1
145.08835	0.8
146.06009	0.8
146.09654	2.5
147.04372	1.3
147.08017	1.0
148.07674	1.2
149.06024	1.2
157.06450	1.2
158.09680	1.0
159.08110	1.5
160.07584	3.1
161.09718	0.7
162.09135	1.4
163.03900	1.3
167.08614	1.1
170.09654	1.7
176.07098	0.7
176.10689	1.2
177.05602	0.8
179.08588	1.9
188.07028	0.8
191.08553	1.4
193.10188	2.4
202.07802	0.7
203.08588	2.5
205.10130	1.6
206.11983	0.7
207.08107	3.1
209.09598	1.0
215.08774	0.9
219.08153	1.2
220.13428	1.0
221.09679	2.4
223.07590	1.1
231.08115	1.7
233.05949	0.8
233.09711	1.0
235.07527	2.0
235.11223	1.6
237.09138	0.9
247.07494	1.1
249.09097	2.7
263.10812	1.7
267.10425	1.4
277.08594	1.8
278.11832	0.9
279.10184	0.9
282.14847	0.8
294.10992	1.0
324.15878	0.9
352.15405	1.5
356.18405	1.7
388.21121	0.8
412.17636	1.9
412.60660	0.7
416.20358	1.3
478.22147	1.9
493.86166	1.0
506.21768	2.5
510.25076	1.4
538.24139	3.5
566.23956	0.9
570.26959	2.5
571.27435	0.8
598.26923	3.5
630.29041	9.8
631.29077	0.8
690.31006	100.0
691.31042	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	690.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01859	1.5
55.05502	6.1
57.03424	3.9
57.07079	3.1
59.04998	1.4
61.02922	10.9
62.72816	0.6
65.03934	0.7
67.05497	13.0
68.53983	0.6
69.03425	13.1
69.07056	5.4
69.16402	3.7
70.06585	4.5
71.04986	6.6
73.02905	4.8
79.05490	3.5
81.03418	5.1
81.07052	60.4
82.07397	1.2
83.08616	2.5
84.08129	2.4
85.02898	65.2
85.06535	11.4
87.04440	1.1
89.06010	1.7
91.03953	7.2
91.05457	2.0
92.04324	0.7
93.07017	6.7
95.04961	6.4
95.08015	1.1
95.08596	12.8
97.02255	1.1
97.02883	20.4
97.10162	8.1
98.23510	1.2
99.04451	2.8
99.08089	1.6
100.29659	0.6
103.03969	0.7
104.70542	0.8
105.07009	2.6
107.08592	3.5
109.02865	6.0
109.06509	2.0
109.10152	12.0
111.08064	1.7
112.07584	1.8
113.06007	1.1
115.03946	1.0
121.10165	1.9
123.08061	1.1
123.11696	58.5
124.12048	1.4
125.09602	1.9
127.03909	17.7
127.04864	1.0
127.11189	13.4
129.10190	1.0
133.10101	3.7
140.07074	1.3
141.12767	3.0
145.04948	26.2
151.11168	16.3
151.12164	0.4
151.12392	0.7
158.45972	0.7
162.09076	1.5
163.05998	21.0
169.12221	92.6
170.12602	1.6
177.05428	0.6
177.67076	0.6
187.13277	100.0
188.13666	1.8
214.59471	0.7
230.15413	1.5
262.80017	0.7
292.18997	3.5
313.16266	1.3
325.11221	5.7
331.17484	10.8
367.09302	0.8
528.28174	1.0
546.92938	0.8
689.87189	1.3
690.33160	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	690.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05514	9.4
57.03441	2.6
57.07071	3.0
59.04996	0.9
61.02920	2.1
64.17068	0.8
65.03935	0.8
67.05501	16.9
69.03430	8.4
69.07054	4.2
70.42854	1.4
70.43160	1.1
71.04983	8.1
73.02901	1.0
79.05482	4.5
81.03417	6.8
81.07053	93.6
83.08627	2.8
85.02903	16.9
85.06522	8.0
89.06004	2.0
91.03970	1.1
91.05505	1.2
93.07030	9.2
95.04955	5.4
95.08601	16.2
96.25674	0.8
97.02889	7.6
97.06525	1.3
97.10160	11.7
99.04436	4.4
105.07027	2.7
107.08601	5.0
109.02869	8.5
109.06519	3.2
109.10173	5.8
111.08077	3.3
113.05958	1.2
121.10136	2.1
122.02859	1.1
123.08046	1.1
123.11700	86.8
124.12106	2.1
127.03912	14.5
127.11200	2.6
133.10118	6.5
135.28192	1.0
141.12749	3.8
145.04988	3.9
151.11183	18.6
163.03928	1.8
163.06071	3.4
169.12225	50.6
177.05400	1.1
181.04936	2.4
187.13287	40.8
188.13704	1.5
194.15521	1.0
229.14366	3.7
234.25674	0.9
249.14922	1.1
277.14307	5.5
295.15375	17.3
296.15707	1.1
313.16510	9.1
331.17484	100.0
332.17877	3.8
528.11652	1.2
628.60120	1.1
690.33417	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56915	0.5
52.58054	0.5
67.05508	1.0
70.79054	0.7
79.05511	0.8
86.92287	0.5
86.95879	0.5
93.07083	0.8
96.88659	0.5
119.08609	0.6
122.87054	0.5
136.95924	0.5
160.77403	0.5
219.17467	1.0
221.61819	0.5
250.29556	0.5
283.36502	0.6
349.23856	0.8
428.14697	1.1
429.15512	0.9
430.16238	0.9
441.15570	1.2
442.16611	0.8
443.17139	1.2
444.18195	1.0
452.15302	0.7
456.14075	0.8
457.19110	3.9
458.19449	0.8
458.25464	0.6
467.17395	1.0
470.12372	1.8
483.12579	4.7
484.13748	9.9
485.14282	2.1
495.16858	0.7
497.13721	5.4
498.15137	8.0
499.15762	3.0
500.16602	0.7
508.13864	0.6
511.15921	3.2
512.16956	6.7
513.17645	24.1
514.18256	7.1
515.19574	0.9
523.16138	8.9
524.16614	1.6
525.17938	1.4
526.18567	2.7
527.19385	6.5
528.20282	0.8
531.18890	1.4
545.23779	0.8
555.19147	2.3
571.18726	0.7
599.21661	1.8
600.22101	1.7
601.22882	4.5
602.21765	0.8
614.23688	1.3
632.23700	0.6
659.23517	1.7
660.24103	4.2
673.24731	1.9
691.26068	100.0
692.26227	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	691.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.10019	0.2
57.03431	0.7
61.59987	0.2
69.03423	1.6
71.04991	3.6
73.02898	0.3
75.04485	0.2
79.05487	0.6
81.03417	0.9
83.04961	0.2
85.02896	4.1
89.03918	1.4
94.06551	0.4
97.02884	3.7
99.04455	0.3
100.11244	0.7
106.06541	1.8
107.04951	0.5
109.02908	0.3
111.04427	0.4
114.82200	0.2
117.03379	1.6
122.06001	0.5
127.03902	0.4
129.05458	0.4
132.04413	0.3
133.07578	0.7
134.06000	0.8
135.04407	4.0
145.02843	3.9
146.05992	0.4
148.06328	0.3
148.07492	0.2
151.03857	0.3
154.12331	0.3
158.05908	0.3
158.09622	0.2
161.07091	3.0
163.03893	32.2
164.04237	0.6
175.08635	1.5
176.07100	0.3
179.08122	2.6
181.04988	1.2
182.15430	0.3
187.08653	0.6
188.09445	1.2
190.10992	2.3
202.10995	1.1
203.11780	23.0
204.12109	0.7
206.10490	2.7
210.14760	0.5
213.10233	0.4
215.11813	0.6
221.12834	100.0
222.13162	2.7
245.12843	1.2
263.13928	2.3
269.12820	0.4
281.12720	0.4
283.14148	0.3
287.13898	0.7
299.13800	0.5
307.08032	0.6
311.13858	0.3
313.15549	0.3
325.09155	7.0
326.09720	0.3
326.13403	0.2
329.15005	1.0
331.16534	0.5
347.15945	2.5
349.17447	0.6
367.18625	2.8
383.18161	0.9
491.38211	0.2
522.58398	0.2
525.53668	0.2
545.21265	8.4
546.21399	0.6
634.87036	0.2
691.50610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03437	2.0
58.51389	0.6
61.02919	7.4
65.03955	0.6
67.05499	10.4
69.03436	3.3
69.07063	1.6
69.41059	2.0
69.41486	1.0
71.01373	0.8
71.04985	1.0
73.02918	5.0
79.05487	3.8
81.03414	2.1
81.07052	5.6
83.08609	0.9
85.02894	6.4
89.42796	0.5
91.03952	3.6
91.05490	2.2
93.07039	3.7
95.04957	0.6
95.08600	3.5
97.02895	5.4
99.04481	0.8
101.02398	2.5
105.07023	0.6
107.08612	1.6
109.02890	0.7
109.10159	6.2
115.42227	0.6
116.46432	0.7
119.08585	1.4
121.10168	1.5
127.03931	1.5
131.08598	0.9
133.10268	0.6
135.11679	0.7
160.52092	0.6
173.11772	1.3
185.04265	0.9
195.09938	1.3
195.16638	0.6
229.14444	0.8
243.08507	1.7
261.22223	0.6
335.25659	0.5
400.98248	0.6
413.17853	5.3
517.73950	0.6
519.29199	8.3
519.36285	0.7
626.28314	0.7
691.40210	100.0
692.40594	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05507	1.5
57.03440	2.6
57.07075	0.6
61.02926	6.4
67.05505	9.9
69.03429	3.8
69.07058	1.8
69.08265	3.6
71.04978	0.8
72.84717	0.5
73.02916	4.6
79.05493	3.0
81.03423	1.8
81.07051	5.5
83.08601	0.7
85.02901	5.9
87.04449	0.7
91.03948	4.2
91.05457	2.6
93.07038	3.8
95.08604	3.9
97.02886	5.2
99.04460	1.7
101.02400	2.7
105.07026	1.5
107.08604	1.9
109.02915	0.5
109.10164	8.7
117.07028	0.6
119.08572	1.8
121.10155	1.4
127.03944	1.6
131.08617	1.2
133.10133	2.1
135.11740	0.7
145.10158	1.0
145.90002	0.5
147.11702	0.6
159.11703	0.6
168.88197	0.5
173.11755	2.2
173.13095	0.6
181.05356	0.6
185.04248	1.1
195.09947	1.0
229.14452	0.8
239.69592	0.5
243.08495	2.1
335.25876	0.6
413.17828	8.4
519.29401	6.1
691.40240	100.0
692.40656	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	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05498	0.9
57.03436	1.7
61.02925	5.2
62.42464	0.3
66.45744	0.4
67.05499	9.6
69.03427	3.3
69.07064	0.7
69.41099	1.2
69.41507	0.7
71.01363	0.5
71.04961	0.3
73.02919	3.6
79.05499	1.9
81.03416	1.3
81.07049	3.7
83.08617	0.7
85.02905	4.9
85.06567	0.4
87.04459	0.5
87.22629	0.3
91.03948	2.5
91.05492	1.3
93.07045	2.6
95.08614	1.9
97.02885	3.6
99.04434	0.8
101.02379	2.1
105.07026	0.9
107.08587	1.1
109.02851	0.7
109.10155	7.7
109.10889	0.5
115.03959	0.5
119.08595	1.0
121.10175	1.1
127.03921	1.9
131.08556	0.5
135.11679	0.6
137.09642	0.4
155.10651	0.8
159.11671	0.3
165.93834	0.3
173.11775	1.7
173.76961	0.4
195.09935	0.6
229.14442	1.1
243.08443	2.3
251.26456	0.4
291.19476	0.4
316.43973	0.4
335.25836	0.5
393.51297	0.4
413.17776	8.6
519.29254	4.9
691.40222	100.0
692.40479	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01874	6.5
55.04745	1.5
55.05254	2.9
55.05509	34.7
57.03429	21.0
57.07085	3.2
59.04999	3.6
61.02923	5.7
65.03935	4.1
67.05505	100.0
69.03444	4.4
69.07075	18.1
69.21175	2.8
69.21456	10.3
71.01325	2.0
71.04989	7.8
73.02927	9.4
79.05036	3.5
79.05492	45.0
81.03419	14.2
81.07059	76.3
83.04984	10.2
83.08616	22.8
85.02901	17.7
85.06551	4.9
87.04474	6.3
91.03964	3.1
91.05475	27.4
93.07052	37.2
95.04967	8.2
95.08611	20.2
97.02898	8.0
97.06518	9.8
97.10174	15.8
99.08093	1.8
105.04493	3.7
105.07037	12.1
107.04955	2.5
107.08595	31.5
108.09038	1.7
109.06543	3.3
109.10159	52.3
111.08093	7.0
117.07013	7.3
119.08579	10.3
121.06482	3.5
121.10143	9.6
123.08083	3.8
125.09626	13.7
127.03908	2.0
129.05499	4.6
131.08569	10.7
133.10141	13.5
135.08102	1.7
135.11682	11.2
137.09589	2.8
143.10701	2.5
145.10080	4.5
147.11644	4.8
149.13248	12.5
153.12773	2.9
155.10661	5.9
157.10175	1.7
159.11682	7.6
163.11214	10.0
173.09605	2.1
173.11729	16.4
175.11131	1.9
177.12743	3.1
181.12196	3.6
184.03751	1.6
189.11206	1.7
191.10683	5.4
193.12259	4.5
195.13811	12.0
199.13310	7.3
209.11707	7.4
211.13315	2.8
227.12791	7.7
229.14357	44.1
239.16393	3.1
261.35803	2.0
267.15884	7.1
269.17465	59.8
283.15347	5.7
288.28253	2.1
301.16422	17.6
411.27283	6.0
423.27377	30.4
424.27771	2.6
431.27939	3.4
449.28284	2.0
477.28305	2.9
495.22556	3.6
495.29507	57.2
496.29623	3.5
513.30560	24.6
514.31555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01859	2.7
55.05511	21.0
57.03435	8.8
57.07060	1.7
59.04990	1.8
61.02914	4.9
65.03939	2.3
67.05503	73.2
69.03430	3.0
69.07067	16.3
71.04994	17.1
73.02905	1.8
77.86478	1.1
79.05041	2.4
79.05491	30.5
81.03396	3.4
81.07055	98.3
83.04975	6.8
83.08614	13.0
85.02914	6.1
85.06532	7.0
87.04440	1.4
91.03967	2.2
91.05479	23.8
93.07041	44.0
95.04964	6.8
95.08598	17.7
97.02879	2.9
97.06524	9.0
97.10139	4.0
99.08065	2.6
105.07031	10.9
107.08590	27.7
109.06496	3.7
109.10156	15.8
111.08057	5.2
117.07013	7.0
119.08585	2.9
121.06564	1.7
121.10148	15.1
123.11687	8.4
125.09614	4.7
129.05495	1.4
131.08551	8.2
133.10110	14.1
135.08101	1.4
135.11688	5.6
139.11154	2.1
147.11687	1.4
149.13249	22.0
151.11145	4.1
159.11681	8.4
163.11253	2.1
167.14259	1.3
169.53712	1.1
173.11795	2.7
177.12732	3.4
183.13818	1.5
187.13280	3.6
195.13753	9.7
199.13242	1.7
227.12692	1.8
228.82991	1.3
229.14276	10.7
269.17471	33.7
301.16425	4.7
301.20120	7.3
308.12607	1.2
423.27371	11.6
437.28949	46.4
438.29251	2.5
451.30411	7.2
463.30524	100.0
464.30756	5.2
495.33572	34.0
513.30280	4.0
632.87775	1.6
637.20013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.1
67.27444	1.5
69.37824	1.4
69.55019	6.7
83.83365	1.4
84.96040	3.5
92.91032	1.7
98.97572	22.2
99.49712	1.6
110.97565	9.4
116.26659	1.5
116.98622	11.6
128.98615	13.6
134.78282	1.7
134.99678	2.9
140.98619	2.0
143.00131	2.5
144.98080	2.4
146.99672	7.2
148.65550	1.4
158.99596	4.9
161.01271	4.2
162.99117	2.0
165.00775	1.6
170.99658	4.3
177.00731	6.6
179.00148	6.0
189.00714	5.3
193.01744	2.8
197.01282	9.3
199.02895	3.7
200.35023	1.6
201.00694	2.9
203.02362	2.2
211.02780	7.5
219.01698	18.2
227.02252	2.6
229.03842	15.1
234.34589	1.6
237.02806	27.0
239.02319	2.0
241.03880	2.3
247.04924	2.9
253.03802	9.8
257.03192	3.4
271.04938	13.0
283.04868	1.7
295.04880	6.0
307.04865	1.8
325.05939	1.8
355.06976	39.7
373.08066	52.8
384.32144	1.6
400.33768	1.6
472.65887	1.6
483.11533	2.6
501.12518	11.3
554.34790	1.7
610.69257	1.7
611.65491	1.7
633.16968	100.0
634.16785	5.2
649.20367	4.1
675.18445	2.6
685.25787	1.8
693.19965	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	693.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01867	0.6
55.05507	2.9
56.05888	0.4
57.03436	1.7
61.02926	3.9
63.28113	0.4
67.05507	2.6
69.03429	3.1
69.07092	0.9
70.00820	1.4
73.02905	2.8
74.17251	0.4
76.67464	0.4
79.05499	2.6
81.03408	2.7
81.07063	2.6
83.04987	0.7
83.08620	2.4
85.02908	4.6
85.06567	0.6
86.48299	0.4
91.03955	2.3
91.05482	3.2
93.07062	2.2
95.04942	1.1
95.08617	1.3
97.02898	3.3
97.09630	0.6
97.10178	4.1
99.04427	0.5
99.57279	0.4
101.02393	1.5
105.07032	1.8
107.04991	1.0
107.08609	1.9
108.29437	0.4
109.06497	0.6
109.10177	0.6
111.08037	0.6
117.06993	1.4
119.08620	0.6
121.06515	0.9
125.09612	4.1
127.03936	1.4
131.04918	1.8
131.08566	0.9
135.08006	0.5
145.04926	0.5
152.31729	0.4
155.08528	0.6
157.10129	0.7
185.04242	0.7
189.11240	3.1
195.09891	0.8
201.12817	0.5
202.31747	0.5
203.05316	1.2
211.09421	2.1
229.12231	0.7
241.88847	0.4
243.08449	1.8
245.13763	1.2
247.13124	0.5
267.15784	0.7
269.11325	0.5
269.17444	0.7
271.25439	0.5
285.17084	0.7
287.12509	0.9
290.25577	0.5
361.23465	0.7
363.25137	3.4
385.78043	0.6
429.17352	12.6
430.17847	0.6
435.19666	0.5
461.28879	1.3
477.21194	0.7
477.28214	0.6
478.28973	1.1
496.29916	1.0
498.43912	0.5
501.19131	0.9
505.20496	2.9
513.35480	1.6
515.37280	1.1
637.36096	0.5
647.30933	0.6
665.30908	1.0
675.29663	1.7
693.30481	100.0
693.41711	22.9
694.31171	7.3
694.41956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84417	0.3
67.05516	0.4
67.08550	0.3
69.07054	0.4
72.73695	0.3
73.02930	0.5
79.05509	0.4
80.02448	0.4
81.07067	0.7
85.10110	0.3
91.05495	0.7
95.08595	0.4
105.07050	0.6
107.08641	0.3
119.08586	0.3
124.04964	1.8
125.09576	0.4
131.08501	0.4
135.07819	0.5
151.07391	0.4
165.08856	0.5
166.90500	0.3
193.12276	0.3
195.09911	2.1
203.05211	2.7
209.11531	1.2
211.13368	0.4
213.30354	0.3
219.13731	0.4
225.10962	5.7
238.30391	0.3
277.73364	0.3
278.18665	0.7
345.24292	0.4
346.29550	0.3
361.23334	2.2
363.25006	8.5
364.25488	0.4
369.15298	0.5
375.25223	0.4
391.29465	0.3
429.17255	0.7
475.89975	0.4
491.30130	0.5
495.34534	3.8
496.29376	0.5
497.36008	1.3
505.20242	0.6
513.35425	6.5
513.42212	0.5
514.35779	0.5
515.37097	3.7
601.62231	0.4
646.13104	0.4
665.30353	0.4
693.31836	4.5
693.41766	100.0
694.31366	0.6
694.42090	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01853	1.1
55.05505	9.9
57.03435	5.2
57.07061	3.4
61.02922	29.7
65.03941	2.5
67.05498	66.4
69.03417	3.1
69.07060	10.8
69.68515	2.6
71.04955	2.0
71.08620	1.5
73.02911	10.6
75.04458	1.4
77.03902	1.0
79.05486	43.3
79.48051	0.7
81.03418	1.4
81.07048	70.9
82.07382	0.9
83.04953	0.8
83.08614	6.7
85.02895	34.7
85.06534	2.9
90.63123	0.7
91.03951	26.9
91.04935	1.4
91.05472	20.9
93.07036	57.1
94.07345	0.8
95.04926	4.1
95.08595	54.6
96.08910	0.8
97.02260	1.1
97.02879	16.3
97.06512	3.3
97.10173	3.5
98.09708	1.1
99.04428	2.2
99.08068	3.0
103.03936	0.7
105.04507	1.3
105.07018	18.3
107.08585	34.8
109.02859	1.0
109.06493	2.3
109.10147	29.5
109.10890	1.5
110.10458	0.8
111.08061	2.1
111.11724	0.7
113.09621	1.3
115.03931	1.9
117.07005	8.5
119.08571	15.4
121.10133	31.9
123.08050	1.0
123.11697	14.5
125.09625	1.6
127.03902	10.7
127.39170	0.7
131.08557	18.7
132.70531	0.7
133.10104	14.6
135.11681	29.4
137.09599	2.6
137.13225	6.0
139.11156	1.9
145.04951	15.0
145.10121	16.0
147.11678	11.1
149.09682	0.8
149.13246	21.6
151.11174	2.0
151.14786	2.4
153.12727	1.0
159.11697	14.7
161.13234	9.3
163.06003	22.7
163.11205	1.3
163.14813	15.8
165.12718	2.8
165.16312	1.0
173.13237	17.1
175.14803	4.1
177.12750	1.7
177.16377	5.7
179.14319	2.0
187.14810	7.7
189.16370	1.1
191.14334	1.9
201.16443	3.3
205.15881	2.5
215.17949	1.4
219.17444	1.2
233.19063	0.7
233.22707	3.7
243.21051	32.4
244.21304	1.0
255.05368	0.8
261.22110	100.0
262.22485	3.7
263.23669	2.5
279.23221	2.3
335.25778	18.9
353.26822	49.8
354.27191	1.9
472.98099	0.8
497.30786	1.1
624.68335	0.8
627.16089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
58.02794	0.4
61.01119	3.4
65.24267	0.4
67.05507	0.8
69.07054	0.5
69.12119	3.4
71.04993	1.1
73.02911	2.9
73.04754	10.4
73.06547	3.3
75.02680	1.3
77.00600	28.9
79.02159	2.7
79.05471	0.8
80.21925	0.4
81.07064	1.1
83.08612	0.5
87.04444	3.6
89.06029	19.3
91.05275	0.8
91.05799	14.9
93.03716	1.0
93.07023	0.7
95.01637	80.3
95.08587	0.6
96.99576	0.6
97.02029	0.7
99.02649	1.9
101.04218	0.6
103.01580	0.5
103.02158	2.0
105.07041	1.3
112.09497	0.5
113.02670	3.7
113.05972	0.5
114.07357	1.2
115.02248	0.4
115.07545	1.6
117.03658	0.9
117.07331	4.8
117.09091	3.2
118.03223	5.4
119.01601	4.0
119.08547	0.6
121.03167	8.4
123.42505	0.4
133.08594	7.6
135.04756	0.6
144.04718	0.7
145.06792	16.2
147.04712	100.0
148.04861	1.6
151.02426	0.6
159.10210	0.8
161.09918	4.3
161.11713	1.1
165.05777	14.1
167.05547	1.1
169.03412	3.2
177.11206	1.6
184.16290	0.4
188.07323	1.2
189.09398	9.3
191.07329	36.5
192.07439	0.7
193.07080	0.5
195.05040	0.7
205.12489	0.5
221.08557	2.1
233.11996	2.4
235.09944	15.9
235.12314	0.9
236.10130	0.5
239.09462	15.9
240.09550	0.8
265.10941	1.3
277.14633	1.2
279.12509	3.1
297.13617	0.6
309.13666	1.3
321.17487	0.5
323.15082	1.4
349.23834	0.6
365.19864	0.5
422.39932	0.5
497.27563	4.7
535.14111	0.5
694.40814	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	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01864	14.6
55.05509	42.0
57.03433	19.6
65.03929	8.9
67.05499	100.0
69.03432	4.0
69.07065	57.9
70.93820	4.4
71.04990	11.8
73.02924	4.7
77.03919	3.5
79.05489	92.8
81.03429	7.1
81.07051	91.7
83.04977	12.2
83.08604	20.4
85.06533	5.9
90.37483	3.0
91.05471	92.8
93.07040	91.7
95.04955	20.6
95.08591	52.0
97.06525	42.2
97.10165	14.0
99.08095	10.0
103.05461	4.7
105.04501	4.4
105.07022	68.9
105.07745	4.2
107.04955	10.1
107.08591	54.3
107.73692	3.1
109.06511	13.4
109.10159	29.1
111.08096	9.0
115.05504	5.5
115.06872	3.2
115.07563	14.5
117.07016	37.2
118.74282	2.9
119.08562	52.5
121.06523	4.3
121.10146	29.1
123.08053	10.3
123.11692	6.6
125.09633	10.0
128.06218	4.8
129.07014	20.3
131.08569	39.5
133.10127	37.5
135.08057	9.7
135.11667	19.5
137.09644	5.7
141.06944	7.3
143.08592	19.7
145.10106	31.3
147.08083	4.5
147.11693	21.2
149.09622	12.4
149.13261	8.5
155.08528	10.1
157.10118	18.6
159.11653	22.0
161.09610	5.6
161.13272	12.1
163.11185	12.4
167.08678	5.5
169.10097	11.5
171.11664	10.3
173.13245	9.5
175.11130	6.0
177.12799	5.1
179.14368	3.1
181.10164	4.0
183.11665	10.0
185.13211	8.2
187.11282	3.9
187.14818	5.3
189.11160	4.4
195.11700	5.9
195.13774	3.8
197.13283	7.1
199.14813	7.9
205.12108	3.5
209.13136	5.4
211.14827	4.5
223.14856	5.1
227.12749	16.7
229.14339	5.1
239.18011	4.2
245.13950	3.1
253.14207	3.9
255.15764	4.7
257.19031	11.6
259.20624	6.9
269.17447	12.2
273.18509	5.7
275.20111	45.4
291.19504	7.2
293.21063	3.9
333.24261	8.2
349.23706	24.7
365.22906	5.2
367.25195	4.1
423.27560	3.9
463.31564	3.3
474.58334	3.0
503.32877	3.1
513.36664	5.0
519.32941	4.9
527.37244	9.2
543.36682	9.8
622.46228	3.5
623.43024	9.0
641.43732	4.1
694.34680	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	696.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05485	0.7
57.03427	2.4
67.01816	0.4
69.03423	3.6
71.04986	10.0
81.03425	3.2
83.04974	1.9
85.02411	0.7
85.02902	14.7
86.03251	0.7
87.00814	0.8
89.03907	4.1
91.05476	0.8
91.77878	0.5
97.02876	4.8
98.45557	0.4
99.04432	1.7
100.11250	0.6
105.01877	0.7
105.07018	1.2
107.04962	1.7
109.02883	6.2
111.04424	1.4
115.25942	0.4
117.03374	4.8
120.37248	0.5
127.03909	6.9
128.04372	0.5
128.24300	0.4
129.05489	2.4
129.83899	0.5
135.03467	0.9
135.04407	10.6
145.02849	13.1
151.03917	0.8
163.03893	100.0
164.02953	0.5
164.04247	1.5
171.06505	1.8
173.13316	0.7
177.05443	6.7
178.05779	0.6
181.04944	6.3
213.03882	0.9
213.08981	0.7
247.05977	0.6
271.05917	1.0
307.07977	1.2
323.07849	0.5
393.08090	1.4
411.09189	29.4
412.09427	1.5
425.10718	1.3
557.14795	0.9
696.54498	0.6
715.19513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03929	0.6
55.05485	0.4
57.03437	1.4
61.02916	0.3
65.03925	0.8
65.37931	0.2
67.01849	0.6
67.56102	0.2
69.03426	1.5
70.06598	0.3
70.74960	0.3
71.01347	0.2
71.04990	8.1
79.05486	0.2
81.03413	3.4
81.07035	0.5
83.04963	1.0
83.08607	0.2
85.02899	8.2
85.03414	0.4
87.00822	0.6
91.05471	5.8
93.07025	0.4
94.07364	0.2
95.04958	0.3
97.02888	4.4
99.04449	0.9
100.11236	0.6
105.07063	0.2
107.04946	0.5
109.02872	5.4
109.03632	0.3
109.06496	0.2
111.04446	0.4
119.04935	16.8
120.08111	0.2
121.06512	2.0
123.04408	0.2
127.03907	4.6
128.07050	0.3
129.05458	1.5
135.04379	0.2
145.04942	0.3
145.06432	0.2
146.08174	0.3
147.04396	100.0
148.04732	1.8
151.03865	0.2
163.07492	0.2
164.09229	0.6
165.04070	0.3
165.05476	6.8
177.05391	0.2
178.40176	0.2
182.15382	0.6
198.14919	0.3
209.16548	0.2
210.14917	0.8
211.07526	0.4
213.03946	0.5
229.08620	0.7
231.04729	0.3
231.06712	0.3
235.16956	0.3
255.06418	0.4
273.07587	0.4
285.11145	0.7
290.09155	0.2
291.08569	1.1
293.10092	0.2
359.07437	0.4
377.08566	0.6
395.09711	29.1
396.10086	0.9
446.86331	0.2
468.33038	0.2
533.19830	0.3
534.20233	1.2
541.15552	0.5
581.39020	0.2
612.16528	0.2
678.47772	0.2
696.25616	0.9
696.49103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01856	0.4
55.05502	0.3
57.03434	2.3
61.02906	0.2
65.03931	0.9
66.75165	0.3
67.01854	0.5
69.03430	1.5
69.08281	0.2
69.36140	0.9
69.69377	0.2
70.06564	0.5
71.04987	11.5
75.04483	0.3
81.03407	2.8
83.04967	0.7
83.61046	0.2
84.08134	0.3
85.02902	13.6
87.00831	0.7
87.04446	0.3
91.05475	8.3
93.07026	0.3
95.04936	0.4
97.02879	3.5
99.04456	1.0
103.05445	0.3
105.06977	0.2
107.04944	0.5
109.02874	4.6
111.04429	0.7
117.07003	0.3
119.04936	19.4
120.05254	0.3
120.08089	0.6
121.06510	2.1
125.02289	0.2
127.03907	4.2
127.41636	0.2
129.05470	3.4
145.02834	0.3
145.04877	0.3
146.08133	0.5
147.04398	100.0
148.04726	2.0
163.07520	0.4
164.09175	1.6
165.05481	5.0
165.06818	0.2
173.02370	0.6
173.05984	0.2
177.05371	0.3
181.06549	0.4
185.05966	0.4
187.07477	0.3
191.03362	1.4
199.03915	0.4
209.05991	0.4
211.07697	0.3
213.03902	0.5
213.05591	0.3
229.08630	0.4
231.04683	0.3
231.06737	0.5
232.19325	0.2
237.05501	0.4
247.09784	0.4
255.06506	2.9
273.07547	0.3
285.11331	0.5
291.08661	0.8
294.08868	0.2
359.07681	0.8
377.08557	0.5
385.13895	0.3
395.09705	16.5
396.09909	0.6
403.29932	0.2
453.35080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06228	1.0
53.03960	1.5
55.05509	12.9
57.03444	6.6
57.07074	8.8
61.02929	27.0
65.03945	1.0
67.05505	60.2
69.03442	3.2
69.07066	18.5
69.89240	2.6
71.04984	2.2
71.08643	6.3
73.02914	8.6
73.88678	1.0
76.77258	1.0
79.05495	16.4
81.03436	1.6
81.07056	82.2
83.08625	15.5
85.02905	34.1
85.06541	2.1
85.10191	3.1
91.03959	26.6
91.05486	13.7
93.07049	21.4
95.04920	1.2
95.08607	61.1
97.02889	12.7
97.06531	6.5
97.10176	12.7
99.08082	2.7
105.07029	8.4
107.08595	14.6
108.40874	1.2
109.10154	31.3
111.08083	3.1
111.11720	3.7
113.09650	2.3
115.03923	1.2
119.08581	11.0
121.10136	19.5
123.08076	1.5
123.11698	16.8
125.13291	1.7
127.03895	9.1
127.11192	2.3
133.10149	12.6
135.11682	12.5
137.09653	1.3
137.13240	7.9
141.12764	3.1
145.04974	12.3
147.11691	10.7
149.13246	11.7
151.14809	6.8
153.12827	1.5
155.14291	3.5
161.13275	12.4
163.06009	21.5
163.14841	8.5
165.12802	1.3
165.16417	9.2
167.14403	1.6
175.14813	10.1
177.16315	2.0
179.14410	1.4
179.17987	7.4
180.40771	1.0
181.15852	2.1
189.16335	6.4
193.15881	1.4
204.20531	1.1
217.19502	2.3
245.22650	63.5
246.23058	3.4
263.23703	100.0
263.83862	1.4
264.24017	4.6
265.25366	2.6
265.43695	1.2
281.24768	2.5
337.27368	44.0
338.27817	1.8
355.28430	9.1
398.98325	1.1
466.65387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81839	1.4
53.03939	2.3
55.05259	1.7
55.05509	19.0
57.03435	7.3
57.07074	10.7
57.18967	1.2
59.89231	1.2
61.02925	29.7
65.03948	1.4
67.05502	69.1
69.03423	3.5
69.07066	26.3
71.04980	2.9
71.08635	6.7
73.02917	12.2
79.05490	25.1
81.03401	2.5
81.07053	96.5
83.04975	2.7
83.08615	22.1
85.02405	2.2
85.02902	36.3
85.06535	4.2
85.10158	3.0
88.56764	1.3
91.03383	1.9
91.03954	33.7
91.05482	16.2
93.07045	26.5
95.04960	3.3
95.08601	79.3
97.02895	14.0
97.06514	8.0
97.10161	13.7
98.22610	2.3
99.04434	1.7
99.08097	4.7
103.03948	1.2
105.07018	12.4
107.08598	16.9
109.10152	44.0
111.08078	4.3
111.11719	5.6
113.09657	2.3
113.40341	1.1
115.03925	2.0
119.08569	12.1
121.10142	23.6
123.11694	20.5
125.09612	2.3
125.13270	1.9
127.03938	7.3
127.11176	2.4
133.10121	15.6
135.11703	13.8
137.09589	2.1
137.13231	8.5
139.11177	2.6
141.12798	2.7
145.04953	12.1
147.11691	14.0
149.13226	10.7
151.14854	8.0
153.12729	2.8
155.14310	4.2
161.13254	16.7
163.06012	21.7
163.14813	10.0
165.12680	1.2
165.16345	11.7
167.14218	1.6
175.14790	10.0
177.16386	2.2
179.14253	1.3
179.17915	7.0
179.35342	1.2
181.15862	1.6
189.16373	4.7
193.15976	1.8
245.22643	71.3
246.22870	2.2
263.23694	100.0
264.24045	4.4
265.25201	2.7
281.24710	3.3
337.27356	71.1
338.27637	4.0
355.28354	12.6
438.22812	1.5
441.16446	1.2
499.32770	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82348	0.8
52.75854	0.6
55.01881	0.8
55.05500	1.4
57.03428	2.4
61.02924	7.4
67.05502	11.3
69.03430	3.4
69.07062	1.3
69.94177	0.8
70.70296	1.3
73.02911	4.2
79.05486	2.7
81.03407	1.6
81.07048	4.9
83.08613	1.9
85.02897	7.0
85.10284	0.7
91.03954	6.3
91.05482	2.2
93.07033	2.4
95.08614	1.9
95.58401	0.8
97.02895	5.9
98.07220	0.8
99.04469	1.0
101.02391	2.1
105.07075	0.9
107.08611	1.5
109.02888	1.1
109.10158	9.7
119.08592	1.0
127.03944	2.3
129.05466	1.4
135.11702	1.4
137.09622	1.2
149.13205	1.3
155.10718	1.5
173.11775	2.8
181.04761	1.1
185.04189	4.0
195.09872	1.1
195.13884	0.9
201.03651	1.7
203.05292	1.1
221.11494	1.0
229.14357	2.0
235.13089	2.2
243.08421	4.7
246.53267	0.9
251.12396	0.9
301.08917	5.9
315.10492	2.3
327.10538	1.2
329.11932	1.0
343.13925	0.8
357.15292	0.9
360.10056	1.0
369.15247	2.6
371.16782	4.6
373.11191	3.5
385.18246	3.9
389.26682	1.3
413.17749	22.6
425.21353	3.8
429.17316	2.5
453.20880	6.9
463.26624	1.0
469.20709	1.6
483.22208	1.3
484.22784	3.2
485.19800	7.7
497.23221	1.0
499.21655	3.1
527.24597	1.2
541.26349	4.8
553.30005	1.3
567.31384	24.8
568.32269	1.8
594.96179	1.0
595.32806	0.9
596.31702	13.7
597.32208	1.8
623.34222	1.5
624.34772	0.9
625.31903	100.0
626.32178	6.4
629.89349	0.8
651.33453	7.7
652.33392	0.8
653.35034	1.6
669.34521	1.2
697.34052	41.7
698.34827	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3764
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03954	0.7
55.05503	0.9
57.03444	2.6
58.73447	0.4
59.45291	0.3
61.02927	4.7
67.05505	6.0
69.03431	3.2
69.07062	1.4
70.53117	0.8
71.01331	0.6
71.04991	3.6
71.89878	0.4
73.02916	4.1
74.68531	0.4
79.05495	2.7
80.03920	0.4
81.03412	2.1
81.07059	7.2
83.04957	0.6
83.08619	1.0
84.38736	0.4
85.02905	4.6
85.06554	0.7
91.03952	2.9
91.05481	2.8
93.07037	4.1
95.04970	0.8
95.08643	1.6
97.02889	4.7
97.06554	0.9
99.04480	0.9
101.02405	1.5
105.07034	1.1
107.08590	2.8
109.02894	1.0
109.06545	0.7
109.10170	1.3
111.08094	0.9
115.03963	0.6
117.07027	1.3
119.08620	0.4
121.10146	1.4
123.11733	1.2
123.29527	0.4
127.03930	1.8
131.08519	0.9
133.10133	2.4
135.11732	1.2
149.12166	0.5
149.13228	2.5
151.11208	1.4
158.05632	0.4
159.11697	1.3
168.42007	0.4
177.12781	0.4
185.04222	1.0
187.13368	0.9
192.37141	0.4
195.13980	0.5
203.05304	0.5
235.13145	1.3
243.08408	3.0
257.17383	0.8
267.15787	1.1
291.15720	0.7
301.09052	0.6
315.10620	0.7
413.18109	1.8
441.21118	0.6
453.20880	8.9
479.42569	0.5
485.23953	6.9
485.34265	0.5
518.31281	0.5
541.25598	0.6
567.31671	2.7
596.31622	1.1
625.31940	12.2
651.33234	1.1
697.37640	100.0
698.37933	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	698.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03947	0.3
55.01866	0.8
55.05508	0.7
57.03423	0.2
62.95456	0.2
63.02391	0.4
65.03937	3.2
67.05519	1.0
68.99779	0.3
69.03438	1.7
77.03912	0.3
79.05479	0.8
81.03417	1.0
81.07059	0.3
83.04967	0.9
85.02903	2.0
87.00819	0.8
89.03911	4.9
91.05475	0.6
93.03397	4.7
93.03945	0.4
95.04950	0.7
96.04449	0.2
97.02885	63.2
98.03226	0.9
99.04414	0.4
100.11237	0.8
103.03919	0.3
105.01855	0.5
105.07008	0.5
107.04956	1.9
109.02882	1.3
109.06492	0.2
111.04413	1.7
114.05519	0.4
115.05436	0.6
117.03375	6.1
117.06996	0.4
119.04939	0.5
119.08570	0.2
121.02860	1.5
121.06469	0.7
121.10106	0.2
123.04425	0.8
125.02345	0.7
127.03894	1.2
128.06235	0.8
128.07115	0.2
129.01839	0.4
129.05476	0.5
129.06992	5.9
131.08527	0.2
135.04401	15.4
137.02332	2.2
137.05959	1.1
139.03882	0.6
139.05417	0.8
141.06987	2.0
145.02832	12.0
145.06508	0.4
146.03139	0.3
147.02800	0.2
147.04419	0.9
147.08034	0.8
149.02339	3.4
149.05960	0.5
151.03867	0.4
155.04877	0.3
157.06465	5.1
160.05124	0.4
161.05942	0.4
163.03886	100.0
164.04211	1.3
167.03394	13.7
167.04828	0.9
168.03673	0.2
168.05348	0.3
169.06494	1.5
173.05977	1.5
174.06769	1.0
175.03889	0.7
175.07530	11.1
177.05457	0.8
181.04970	1.2
183.04356	0.5
185.05962	8.0
187.07568	0.9
189.03954	0.8
189.05460	0.3
193.04935	0.3
195.04387	0.4
195.06535	0.2
197.05948	0.3
200.04662	0.3
200.79257	0.2
201.05447	1.6
203.07019	5.4
207.06572	0.3
210.14897	0.4
213.03625	0.4
213.05467	5.0
231.06516	10.0
233.08148	0.5
241.04904	0.7
241.07054	0.4
253.06795	0.5
253.10786	0.6
259.06015	3.0
265.08395	0.2
277.07040	32.6
278.07343	0.9
295.08047	5.5
295.11041	0.4
311.07416	0.3
325.10721	0.5
326.16885	0.3
339.11969	0.4
343.11563	0.4
345.08148	1.0
355.11896	0.3
357.31464	0.2
411.09091	0.8
525.12262	0.6
543.13330	4.2
544.14008	0.4
581.78680	0.3
671.28333	0.2
697.51453	0.8
698.52081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.02984	4.2
55.05505	4.7
56.05007	0.8
57.02039	0.7
58.06594	1.0
59.04856	1.9
60.05641	10.9
64.24152	0.6
65.03938	2.0
67.05508	1.6
67.85793	0.6
69.03427	0.8
70.06586	6.6
71.04995	1.9
72.05640	4.3
72.08150	39.5
73.06504	2.9
74.20824	0.7
79.05489	1.7
81.03403	0.8
81.89957	0.6
82.04184	1.1
82.11153	0.7
83.06108	1.6
83.08630	1.8
85.02901	2.6
85.06402	0.7
86.07182	14.9
86.09701	1.6
87.07988	1.5
87.35803	0.7
90.09199	0.8
90.63388	0.7
90.75804	0.8
91.05475	1.7
93.03388	1.5
95.04953	1.2
97.02879	1.9
97.06557	1.1
97.07644	21.5
100.08728	27.9
100.11246	6.1
103.05473	1.0
105.07022	1.1
106.04214	1.6
107.04949	2.1
109.02882	1.0
111.04417	0.9
111.09192	1.1
114.10279	60.1
115.08677	0.8
117.03391	2.1
121.06577	1.0
123.08145	0.9
125.05994	1.9
127.03977	0.8
130.09746	14.5
130.10663	0.9
132.11325	10.9
132.12251	1.0
133.02844	1.8
134.03638	5.0
135.04395	4.6
137.02328	1.9
137.05981	2.1
138.03079	0.7
145.02855	1.9
147.04366	0.8
149.02493	0.9
149.05972	16.5
151.03888	4.7
152.04640	4.2
153.05473	4.0
154.19080	0.8
161.02348	2.1
162.03174	2.9
163.03876	4.9
163.07626	0.9
167.07047	3.8
171.06552	2.4
177.05495	3.2
179.03374	12.2
180.04205	1.2
181.04935	50.3
182.05234	1.5
182.15433	2.1
184.03676	1.5
189.05455	0.8
195.06578	1.3
197.04396	1.0
201.05502	1.6
204.02946	0.8
207.06566	1.5
209.16472	1.1
210.14920	2.5
222.31252	0.8
231.06569	0.9
233.08119	1.6
264.13522	2.4
265.11923	1.6
265.14258	7.1
268.12924	2.0
275.10333	1.0
280.12866	5.6
282.14526	3.3
292.12860	16.0
293.13943	5.5
296.12567	3.1
297.12497	0.8
305.09622	0.7
310.13919	19.8
311.14673	11.7
312.15543	9.4
313.12018	0.9
329.10275	3.8
335.08618	0.7
355.28610	0.8
367.11945	0.9
406.07208	0.7
460.20828	1.7
506.21274	19.3
507.21835	1.2
680.23169	2.7
697.52362	6.4
698.23907	100.0
698.51990	3.3
699.24292	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	698.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.02984	4.2
55.05505	4.7
56.05007	0.8
57.02039	0.7
58.06594	1.0
59.04856	1.9
60.05641	10.9
64.24152	0.6
65.03938	2.0
67.05508	1.6
67.85793	0.6
69.03427	0.8
70.06586	6.6
71.04995	1.9
72.05640	4.3
72.08150	39.5
73.06504	2.9
74.20824	0.7
79.05489	1.7
81.03403	0.8
81.89957	0.6
82.04184	1.1
82.11153	0.7
83.06108	1.6
83.08630	1.8
85.02901	2.6
85.06402	0.7
86.07182	14.9
86.09701	1.6
87.07988	1.5
87.35803	0.7
90.09199	0.8
90.63388	0.7
90.75804	0.8
91.05475	1.7
93.03388	1.5
95.04953	1.2
97.02879	1.9
97.06557	1.1
97.07644	21.5
100.08728	27.9
100.11246	6.1
103.05473	1.0
105.07022	1.1
106.04214	1.6
107.04949	2.1
109.02882	1.0
111.04417	0.9
111.09192	1.1
114.10279	60.1
115.08677	0.8
117.03391	2.1
121.06577	1.0
123.08145	0.9
125.05994	1.9
127.03977	0.8
130.09746	14.5
130.10663	0.9
132.11325	10.9
132.12251	1.0
133.02844	1.8
134.03638	5.0
135.04395	4.6
137.02328	1.9
137.05981	2.1
138.03079	0.7
145.02855	1.9
147.04366	0.8
149.02493	0.9
149.05972	16.5
151.03888	4.7
152.04640	4.2
153.05473	4.0
154.19080	0.8
161.02348	2.1
162.03174	2.9
163.03876	4.9
163.07626	0.9
167.07047	3.8
171.06552	2.4
177.05495	3.2
179.03374	12.2
180.04205	1.2
181.04935	50.3
182.05234	1.5
182.15433	2.1
184.03676	1.5
189.05455	0.8
195.06578	1.3
197.04396	1.0
201.05502	1.6
204.02946	0.8
207.06566	1.5
209.16472	1.1
210.14920	2.5
222.31252	0.8
231.06569	0.9
233.08119	1.6
264.13522	2.4
265.11923	1.6
265.14258	7.1
268.12924	2.0
275.10333	1.0
280.12866	5.6
282.14526	3.3
292.12860	16.0
293.13943	5.5
296.12567	3.1
297.12497	0.8
305.09622	0.7
310.13919	19.8
311.14673	11.7
312.15543	9.4
313.12018	0.9
329.10275	3.8
335.08618	0.7
355.28610	0.8
367.11945	0.9
406.07208	0.7
460.20828	1.7
506.21274	19.3
507.21835	1.2
680.23169	2.7
697.52362	6.4
698.23907	100.0
698.51990	3.3
699.24292	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	698.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75605	0.2
55.01859	0.2
55.05500	0.4
56.20798	0.2
56.88710	0.2
57.03227	0.2
57.03438	2.3
59.04977	0.3
60.50082	0.2
61.02917	1.1
67.05508	0.2
69.03423	3.6
69.91271	0.7
69.91626	0.3
71.01345	0.6
71.04633	0.3
71.04990	3.9
73.02911	8.4
75.04459	0.3
79.05505	0.4
81.03400	0.8
83.04982	2.5
85.02897	8.6
87.04460	0.6
89.03899	2.0
97.02885	5.8
99.04451	0.4
103.03900	0.3
107.04947	0.9
109.02866	0.3
111.04442	1.8
115.03944	2.0
117.03362	2.7
124.13001	0.2
127.03915	0.9
129.05460	2.3
133.04955	1.3
135.04401	6.9
145.01680	0.4
145.02832	7.1
145.03944	0.5
147.06523	1.4
163.03886	100.0
164.04219	2.5
169.90169	0.2
179.57675	0.2
181.04959	2.1
225.07590	0.6
243.08496	0.4
261.09775	0.3
295.08093	0.3
307.08090	0.6
309.09561	0.5
323.20850	0.3
325.09149	23.7
326.09601	0.7
412.32986	0.3
471.15710	0.3
660.56122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
57.03415	1.9
61.02907	1.2
67.05496	3.2
69.03416	2.3
69.45413	3.2
71.04992	1.1
81.06978	0.9
83.04979	41.6
85.02901	100.0
86.03230	0.9
87.04468	1.8
89.03896	0.9
97.02889	2.8
109.16220	0.8
111.04442	23.1
117.03394	2.7
124.18158	0.8
127.03923	6.7
129.05470	15.6
138.61429	0.8
139.58253	0.9
139.83820	0.8
145.02837	12.8
146.12712	0.8
149.05948	2.9
163.03886	2.6
171.06522	80.9
172.06876	1.2
177.05460	47.1
178.05721	1.2
181.04909	1.4
182.15279	0.8
189.07564	41.1
199.66759	1.0
338.28458	0.8
339.10730	10.1
509.16006	0.9
569.81635	0.9
572.27655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05504	3.3
57.03424	1.9
61.02918	2.7
69.03430	2.7
71.04991	30.2
75.04473	2.3
78.44587	0.7
81.03442	0.8
83.04982	16.8
85.02900	12.5
87.04462	4.5
89.03915	2.8
95.08616	0.8
97.02882	3.7
99.04483	1.5
100.11238	1.2
108.02857	0.7
109.02875	1.0
111.04438	33.7
113.02343	0.9
113.06007	13.4
115.03917	1.9
117.03379	9.1
117.05474	6.0
119.08657	0.8
127.03918	1.1
129.05472	42.0
137.05966	0.8
145.02840	34.2
149.05997	3.4
153.05458	1.1
163.03925	3.4
171.06511	17.5
177.05460	100.0
178.05841	2.0
189.07565	64.7
190.07889	1.2
195.06441	1.5
197.87852	0.7
238.68204	0.8
305.10620	0.8
339.10733	18.1
356.11243	1.1
358.04990	0.8
365.12689	1.0
372.90656	0.9
374.12256	1.1
452.11969	1.0
704.60352	0.9
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
55.01875	0.5
55.05513	4.8
57.03432	1.8
61.02919	0.6
65.03928	0.6
67.05505	1.5
69.03424	1.8
70.06583	0.8
71.01357	0.5
71.05003	0.4
71.43760	0.3
80.11074	0.3
81.03398	0.5
83.04980	35.1
84.05287	0.3
84.08164	0.3
85.02901	100.0
86.03246	0.4
87.04462	1.0
91.05466	0.6
97.02889	2.1
99.04442	0.4
99.56783	0.3
101.06005	0.5
109.02858	0.6
111.04441	20.7
112.04713	0.3
119.04945	0.7
121.10121	0.4
127.03914	7.9
129.05479	10.6
145.02873	0.4
145.04951	0.8
147.04407	0.8
151.07530	3.7
156.71344	0.3
163.03911	1.1
169.08577	0.6
171.06519	71.9
172.06853	1.0
181.04927	0.9
189.07574	50.5
190.07896	0.9
193.08601	0.4
300.55582	0.3
312.15359	0.4
333.07938	0.6
333.11783	10.0
339.14423	0.5
379.34097	0.3
556.41400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01855	0.8
55.05514	2.7
57.03417	1.4
57.98876	0.5
60.94817	0.4
61.02923	3.3
61.21352	0.5
69.03422	2.4
69.56625	1.2
69.57019	0.8
71.04986	27.8
75.04469	1.9
77.91331	0.5
79.57349	0.4
81.03409	0.9
83.04974	20.7
85.02896	12.1
87.04446	3.1
88.10194	0.5
91.05463	1.9
95.04940	0.6
97.02875	3.1
99.04429	1.3
101.06041	0.6
109.02854	0.6
111.04436	36.3
113.02373	0.5
113.05997	13.0
115.03895	2.0
117.05468	6.7
119.04906	1.7
127.03898	1.9
129.05467	47.2
137.05972	0.5
145.02843	0.5
145.04904	1.3
146.08032	0.4
151.07533	12.8
151.08733	0.7
153.05409	0.5
163.03848	0.9
163.06017	0.6
165.09056	0.5
169.08612	2.6
171.06509	18.2
179.06898	0.5
189.07564	100.0
190.07848	1.1
191.59135	0.5
193.08607	0.5
237.07648	0.5
255.08669	0.7
261.11252	0.7
273.09595	1.5
273.42343	0.5
277.10550	0.7
279.12219	1.4
287.05438	0.8
295.11453	0.9
333.11667	1.2
507.18219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05511	3.8
57.03427	1.6
61.02922	3.0
65.03964	0.6
69.03426	100.0
69.19953	1.4
69.20360	1.7
70.03760	1.3
70.06599	3.0
71.01348	2.4
71.04989	8.9
72.08152	2.0
79.32044	0.5
81.03413	1.3
83.04980	30.5
85.02902	15.3
85.06498	0.6
87.04453	3.4
91.05467	2.5
93.07030	0.5
95.04948	1.8
97.02873	3.3
97.07661	1.3
99.04445	1.3
101.06017	0.9
103.03953	0.8
105.06982	0.6
109.02874	1.2
111.04438	35.9
113.06025	0.5
114.10300	2.0
114.36913	0.5
119.04979	3.0
121.06439	0.8
127.03913	2.9
129.05470	64.7
132.11282	1.1
137.05893	1.0
139.18254	0.5
145.04976	1.9
147.06522	3.5
151.07532	14.3
152.07825	0.6
153.05492	1.0
163.06117	0.7
163.07570	1.5
165.09100	1.0
169.04826	0.5
169.08618	2.4
171.06483	3.9
175.07558	0.9
177.05399	1.1
179.07030	9.4
179.08450	0.9
179.89902	0.5
181.04942	4.5
181.08559	3.4
189.07570	91.2
190.07877	1.5
193.08643	1.8
211.54546	0.5
217.08723	0.8
233.11623	0.7
235.09561	2.0
237.07570	0.8
255.08702	1.2
261.11221	9.7
273.09534	1.3
277.10605	1.4
279.12366	2.6
295.11850	1.0
312.15543	5.7
315.10733	0.7
321.13187	0.7
339.14432	4.8
351.12753	1.8
352.11185	0.6
484.95932	0.6
487.82251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.01846	2.0
55.05502	9.0
57.07076	2.5
61.02925	5.3
64.09716	2.2
65.03947	2.3
67.05487	13.7
69.03423	14.7
69.07053	8.3
71.04982	3.2
73.02880	2.3
79.05492	12.3
79.05888	2.0
81.03403	7.3
81.07053	35.9
83.04977	12.6
83.08618	6.4
85.02897	37.6
87.00802	2.0
91.03958	2.1
91.05471	21.5
93.07037	35.9
95.04948	6.9
95.08593	36.5
97.02886	11.1
99.04465	3.8
105.07028	48.5
107.08586	55.5
109.02873	3.3
109.06509	7.6
109.10141	21.1
111.08050	9.8
117.07002	8.5
119.08571	46.3
121.10134	34.6
123.08080	4.3
123.11691	14.5
125.09618	21.8
127.03902	7.5
129.06998	3.9
131.08560	27.3
133.10118	42.8
135.11719	14.1
135.64784	2.3
137.09572	4.3
143.08562	12.8
144.09320	2.7
145.04922	8.8
145.10118	49.4
147.11678	27.8
149.09616	2.7
149.13235	9.9
151.11150	4.2
155.08505	3.5
157.10135	25.2
159.11674	61.7
161.13228	23.6
162.07550	3.4
163.03876	5.8
163.14806	6.6
169.10107	8.3
171.11656	30.7
172.12215	2.7
173.13251	62.2
175.14790	24.7
177.12758	3.5
177.16370	6.9
180.08687	4.5
183.11682	6.1
184.12321	2.9
185.13234	27.2
187.14816	33.7
189.16405	12.0
191.14301	12.9
191.17857	5.3
193.12238	2.2
193.15833	4.8
195.11552	2.5
197.13211	17.6
199.14795	41.3
201.16357	28.0
203.14340	5.3
205.12207	6.5
205.15839	24.1
206.09489	2.4
211.14728	3.9
213.16382	18.1
215.14325	4.4
215.17786	3.9
217.12308	2.7
217.15807	11.5
219.13812	15.3
219.17372	25.6
221.15269	10.9
223.14783	4.3
225.16348	6.0
227.17908	6.3
231.13876	11.9
231.17491	5.7
233.15312	6.1
233.19008	3.3
235.16873	2.5
237.16298	3.9
239.17967	5.0
243.13779	8.2
245.15341	18.7
247.16928	4.5
251.18129	2.6
253.19757	3.3
259.16867	4.0
263.18054	2.5
265.14359	10.0
271.16946	3.9
273.18451	4.3
277.14252	3.9
285.76752	2.4
291.15826	10.4
373.28967	4.7
391.29993	24.6
393.31439	26.7
419.29263	13.8
421.31006	5.9
437.30447	42.8
439.31924	7.2
447.28754	3.0
453.29761	6.7
465.30045	38.7
466.30460	2.3
483.31036	100.0
484.31229	5.8
645.36212	15.4
698.22772	2.7
698.51776	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	699.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47963	3.7
58.99590	7.6
61.42202	3.8
67.05520	10.7
70.85799	5.4
70.99576	6.2
79.05501	14.7
81.07037	6.0
86.00640	7.3
91.05494	21.1
93.07035	16.1
94.06594	5.1
95.04953	5.5
95.08588	5.0
105.07018	26.4
107.08580	25.6
110.31326	3.9
111.02692	10.1
113.02970	6.1
117.07039	11.3
119.08565	31.9
121.10118	4.2
126.03731	7.7
128.06245	7.6
129.07008	15.1
131.08554	31.9
133.10136	4.5
134.09677	6.6
142.07770	9.3
143.08572	11.1
143.76561	4.5
144.09288	24.4
145.10117	15.0
146.09621	5.5
150.03711	12.1
152.05273	10.3
154.06850	7.3
156.09355	5.0
157.10123	21.3
158.10899	5.1
159.10374	7.5
159.11678	100.0
159.12947	6.0
163.04527	8.1
164.05324	10.5
166.06779	6.1
173.13196	10.0
176.05316	8.9
178.03168	8.8
178.06854	10.2
188.05331	4.7
191.14252	6.4
192.08427	10.3
200.05328	4.5
202.06831	11.7
204.08531	8.1
210.05923	7.6
214.06873	6.8
214.55017	4.5
216.08502	7.0
228.08290	6.1
238.08937	12.4
242.09918	7.5
254.09962	5.0
256.11404	4.4
277.18561	4.7
310.16388	7.3
416.24030	6.8
419.91693	5.7
530.52112	4.8
531.28644	14.3
575.27979	6.5
591.30450	7.9
607.31006	5.0
635.29926	26.6
667.32318	73.6
668.32318	8.0
699.34869	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35996	0.2
55.05635	0.2
98.22622	0.4
132.72870	0.2
168.07065	0.2
185.04298	0.8
203.05267	0.3
234.28493	0.2
251.39902	0.2
259.07971	0.7
347.09381	1.0
421.13928	0.2
449.17737	0.2
537.30280	19.4
538.30865	1.0
699.35516	100.0
700.35889	6.8
700.48267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72412	1.4
67.05518	3.8
69.07063	1.6
69.18038	10.3
72.74512	1.4
79.05527	2.6
81.07059	4.9
84.21779	1.3
86.20167	1.4
93.07121	1.6
95.08628	1.9
111.57654	1.4
120.72608	1.8
130.97363	1.4
136.06216	3.3
243.15950	2.7
335.25800	2.4
409.86600	2.0
699.42352	100.0
700.42505	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	699.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64430	1.7
59.37258	1.6
60.54591	1.5
61.73862	1.4
67.05508	2.2
69.18857	8.9
73.97887	1.8
75.15260	1.5
78.34270	1.6
81.07074	2.7
91.64798	1.5
93.07061	3.2
98.22655	3.0
100.65837	1.8
136.06207	4.8
699.42303	100.0
700.42499	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	700.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53124	1.0
53.03945	13.5
55.01871	8.2
55.05516	5.5
57.03438	7.0
57.07064	3.4
59.04990	1.7
61.02924	7.5
67.05502	16.4
68.99780	5.1
69.03426	39.3
69.07067	4.7
70.06588	1.8
70.47716	1.4
71.01331	2.0
71.04988	11.9
73.02921	6.6
79.05495	3.7
81.03413	49.3
81.07053	56.2
83.01346	2.6
83.04973	2.4
83.08608	1.2
85.02901	84.8
85.06551	12.1
86.03244	1.4
87.00825	44.1
87.04488	1.0
91.03955	2.2
91.05461	1.4
93.07041	5.6
95.04972	9.0
95.08602	10.6
97.02888	63.6
97.10159	4.5
99.04456	19.8
99.08091	1.7
101.02354	1.6
103.03960	1.8
105.01147	1.8
105.01858	35.3
105.07021	2.4
105.74428	1.2
107.04950	1.1
107.08603	3.5
108.04465	2.9
109.02876	80.7
109.06494	2.6
109.10151	16.2
111.04429	2.8
111.44305	1.2
113.06030	1.2
115.03933	1.9
117.01862	3.7
117.86297	1.0
121.02827	1.2
121.10174	2.3
123.04430	2.9
123.11706	55.7
125.02367	2.3
125.09613	1.4
126.05514	2.1
127.03911	100.0
127.11181	18.2
128.04314	1.3
129.01830	6.1
133.10121	2.7
137.05939	2.1
140.07002	1.3
141.12738	2.4
145.02863	1.1
145.04953	19.3
147.02884	3.3
147.04292	1.2
147.08026	1.0
149.09628	1.3
151.03909	3.6
151.11183	9.9
159.02885	17.4
163.03908	3.3
169.04973	4.4
169.12236	47.1
171.02870	2.1
177.05457	2.6
181.04903	1.3
187.06035	2.7
187.11578	1.8
187.13280	35.9
189.03979	6.6
189.05429	1.8
193.04897	3.7
195.02892	2.2
213.03949	24.0
231.04988	29.3
235.06010	1.6
248.07451	1.9
249.05936	5.8
253.07162	1.5
259.13443	1.4
266.08746	1.5
273.06049	17.0
277.14343	4.3
291.07108	1.4
313.16400	1.7
315.07071	3.5
339.07263	5.2
357.07901	2.3
381.15359	4.0
399.16513	25.0
417.17538	53.5
418.17938	1.8
443.07990	2.9
449.19946	1.0
461.09210	3.9
656.99127	1.2
665.23254	2.0
682.05249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
53.57803	0.5
55.01862	1.8
57.03430	1.2
61.02925	1.3
61.35665	0.7
69.03418	3.4
70.06583	1.9
71.01344	2.9
71.43851	0.7
73.02915	0.7
74.29008	0.6
79.05484	7.8
81.03419	4.3
81.07050	36.3
84.08154	1.1
85.02894	7.5
91.05468	4.0
93.07041	12.9
95.04974	2.3
95.08549	0.8
97.02889	3.7
99.00823	0.8
99.04456	1.7
103.05450	3.1
105.04550	0.8
105.07022	40.6
107.08568	2.0
109.02888	3.7
109.06511	7.2
115.05441	2.1
117.07004	1.6
119.04890	0.6
121.06512	1.1
123.08011	1.4
127.03920	3.6
129.10214	1.3
132.05731	0.8
133.06480	100.0
134.06828	2.3
135.08057	4.9
143.04950	0.7
143.06052	1.3
145.02826	0.7
145.05013	3.2
151.07524	18.8
161.05965	76.2
162.06282	0.9
163.03899	2.8
163.06036	1.0
164.04185	1.0
169.08528	1.7
173.04572	0.8
177.05486	1.6
179.07016	73.4
180.07382	1.9
181.04951	1.2
181.07135	0.7
197.08101	6.5
215.05429	0.8
228.18475	0.7
233.06439	0.8
245.08125	0.9
295.05975	0.9
295.11868	0.9
305.10181	2.2
307.16675	0.8
323.11221	31.4
336.03223	0.7
341.12277	56.6
342.12668	1.4
359.13275	3.5
485.16675	4.1
503.17459	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.1
57.03423	10.0
61.02921	4.4
63.22357	2.8
67.05505	68.1
69.07074	7.1
69.86096	10.9
71.04964	4.0
71.95495	2.6
79.05489	16.7
81.07062	37.8
83.08625	5.9
85.02882	4.8
86.09703	8.7
87.65034	2.6
89.36875	3.0
91.03947	4.2
91.05480	10.1
93.07047	18.3
95.08609	17.9
95.28685	2.7
98.23360	4.5
105.07001	6.5
107.08595	8.6
109.10159	43.5
119.08594	10.2
121.10152	8.8
123.11721	4.6
124.99953	3.6
131.08521	3.1
133.10139	5.3
135.11700	5.7
136.06200	10.1
145.10083	6.6
149.13257	4.1
159.11716	4.2
173.11754	25.1
173.13156	5.3
184.07343	19.7
227.12782	3.8
229.14337	100.0
243.15927	9.9
243.21127	5.5
261.22125	22.4
317.24704	3.6
335.25784	90.1
489.35770	37.9
503.36819	9.0
507.36771	3.3
700.44531	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	700.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.8
57.03428	12.4
57.07064	4.0
61.02930	3.7
67.05163	5.4
67.05500	68.4
69.07059	6.7
69.98107	6.6
71.04993	6.5
71.22669	3.0
78.99967	2.4
79.05485	30.6
81.07050	100.0
81.19863	2.4
81.89245	2.8
82.59834	2.9
83.08615	6.6
85.06531	13.8
91.05470	16.2
93.07047	25.5
95.04946	5.1
95.08600	27.7
98.22720	2.8
105.07037	7.9
107.08568	13.8
109.10159	12.8
110.64271	2.9
119.08545	5.1
121.10120	12.3
123.11691	15.3
131.08563	7.6
133.10094	14.6
135.11696	5.8
136.06166	26.2
140.74126	2.9
147.11583	4.0
149.13185	4.4
151.11165	7.9
173.13188	4.2
187.13284	13.0
187.14885	3.0
243.15887	71.5
250.09735	2.9
258.92447	2.9
261.22180	13.0
335.25778	45.8
503.37335	32.8
700.43829	8.3
701.45276	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	701.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54489	0.2
67.05515	0.8
71.43047	0.4
81.07058	0.4
91.05472	0.4
93.07055	0.4
95.08617	0.4
109.10192	0.5
160.26102	0.3
170.89758	0.3
185.04248	0.7
193.04956	0.3
229.14436	0.5
259.08044	0.3
347.09729	1.0
421.13397	0.4
504.34152	0.6
539.31909	19.1
540.32306	1.3
701.37158	100.0
702.37494	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04124	0.2
68.37386	0.2
69.17928	1.4
74.11674	0.2
75.57660	0.3
98.09689	0.2
114.15929	0.2
128.31995	0.2
136.03368	0.2
185.04254	0.8
203.05240	1.6
259.07953	1.4
294.32886	0.2
305.08618	0.3
347.09540	1.1
365.10547	2.7
421.13226	1.0
503.40768	0.2
535.39679	0.2
539.31927	15.4
540.32361	1.0
701.37115	100.0
702.37476	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	701.4597
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
55.01864	0.6
55.05503	1.2
57.03440	0.8
63.25491	0.4
67.05499	3.3
69.07069	1.3
71.43220	0.6
79.05502	2.1
81.07053	2.0
83.08615	0.5
91.05495	1.2
93.07032	2.5
95.04994	0.7
95.08618	1.3
95.28811	0.5
105.07059	1.4
107.08627	1.5
109.10172	0.9
117.06972	0.5
119.08619	0.9
121.10151	0.6
123.11726	0.6
125.09602	0.5
133.10150	0.8
147.11775	0.5
162.14220	0.5
202.62514	0.5
222.74028	0.5
268.69321	0.5
276.88028	0.5
317.20844	0.8
351.21399	7.6
371.09418	0.5
373.23514	1.1
407.24063	4.9
642.25281	0.6
701.45929	100.0
702.46350	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	702.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01870	1.0
57.03436	0.9
61.02911	0.6
65.03931	1.6
67.05492	0.8
69.03427	2.2
70.06577	0.5
70.73067	0.2
71.04977	0.4
73.02899	0.6
79.05515	0.3
81.03394	0.9
82.04188	0.4
85.02404	0.4
85.02897	6.1
85.05310	0.2
85.21168	0.2
86.09727	0.2
87.04465	0.2
90.36927	0.2
91.03928	0.7
93.03394	0.7
95.04926	1.0
97.02883	3.2
97.06512	0.5
99.04423	0.5
105.06965	0.2
108.02058	0.4
109.02837	0.6
110.03638	1.2
111.04440	0.5
123.00789	0.2
123.04400	0.4
125.05982	0.8
125.79885	0.2
127.03929	1.3
127.04727	0.2
133.06537	0.2
138.03101	0.5
140.04697	1.6
142.02632	0.5
145.04947	0.9
153.05464	2.3
155.07050	0.8
163.04007	0.2
163.06049	0.3
169.38759	0.2
171.06529	4.2
179.07033	0.3
181.04941	100.0
182.05286	1.9
194.01883	0.2
199.05994	0.8
216.78668	0.2
221.08176	0.2
233.27110	0.2
325.09048	0.3
325.25775	0.2
343.10202	40.4
344.10602	1.1
429.17493	0.2
505.15488	0.8
601.19592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69660	0.3
57.06813	0.5
57.07073	7.0
58.06598	2.5
61.45081	0.4
65.03940	4.4
68.05025	0.4
69.24538	1.2
69.24931	0.7
70.06588	20.9
71.08628	2.9
72.08157	1.0
74.06036	0.4
84.08144	0.7
85.10162	1.1
86.09695	1.3
88.07623	20.5
93.54748	0.4
95.27166	0.4
98.09682	1.1
98.12172	0.3
102.08519	0.8
102.09173	13.8
102.82074	0.4
103.01842	0.4
121.02850	2.2
131.04909	0.6
132.02042	0.7
132.10222	1.9
133.02873	0.5
139.03879	2.5
146.11732	2.1
147.04398	0.5
149.02336	66.0
149.03448	7.5
150.02722	0.8
153.07030	0.4
175.03888	1.6
177.05505	0.7
184.07425	0.5
193.04948	33.6
194.05377	0.9
196.07393	0.6
210.27576	0.4
212.23688	0.6
219.06505	1.3
225.05473	1.0
237.07549	5.7
238.25291	0.5
256.26331	45.9
257.26736	1.5
263.09216	0.9
269.04459	0.7
297.04016	1.1
300.28922	7.5
313.07193	1.2
341.06580	5.1
350.15942	0.4
359.07605	3.5
385.09152	11.8
386.09512	0.5
387.10672	0.5
403.05072	0.7
403.10226	11.2
404.10526	0.6
429.11780	22.0
430.12134	1.0
473.14383	13.3
474.15045	0.5
508.05771	0.4
640.35089	1.8
684.37384	1.5
702.38379	100.0
703.38617	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	702.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01863	4.6
55.05510	52.6
56.05846	0.9
57.03434	12.9
57.07068	4.2
58.34025	0.9
59.05002	1.2
61.02923	5.1
65.03947	1.7
67.05501	65.6
69.03419	8.1
69.07065	17.6
71.04972	1.5
73.02904	1.4
77.03942	0.8
79.05489	44.7
81.07053	57.5
83.04995	5.0
83.08618	32.4
85.02898	3.3
85.06536	2.2
86.09701	0.9
89.06026	3.2
91.03959	1.8
91.05475	18.0
93.06442	1.8
93.07037	38.0
95.04967	5.1
95.08603	33.7
97.02887	1.8
97.06538	1.9
97.10165	75.5
101.09700	1.1
105.04518	1.8
105.07023	9.9
107.08590	37.5
109.06516	2.7
109.10142	16.8
111.08086	3.1
113.45493	0.9
115.05419	1.2
117.07003	6.2
119.08569	8.2
121.10135	15.5
123.08052	2.1
123.11659	6.5
125.09625	70.8
126.09966	0.9
131.08540	8.6
133.08606	2.2
133.10136	8.2
135.08069	5.0
135.11674	11.0
137.13240	1.5
143.10670	3.4
145.10112	6.4
146.72751	0.8
147.11665	4.4
149.13289	5.6
151.11160	1.3
153.09111	6.3
159.11720	6.1
161.13264	3.1
163.14806	3.1
163.59238	0.9
171.10159	4.0
173.13277	4.2
175.14801	1.8
184.07384	2.7
187.14839	2.0
189.11205	51.5
201.16518	0.9
221.63969	0.9
227.12766	75.6
227.20042	15.0
228.13181	1.7
243.21011	6.1
245.13824	100.0
246.14226	2.2
261.22119	29.7
262.22574	2.1
277.21640	1.6
279.23151	3.2
299.23502	1.0
317.24597	4.4
331.18958	1.8
335.25787	96.0
336.26047	5.4
431.31769	1.5
464.45670	0.9
487.34363	6.2
488.34882	1.3
505.35172	59.2
506.36020	4.8
523.35931	2.9
674.74829	1.0
694.84424	1.0
702.47949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01866	4.8
55.05509	46.9
57.03437	12.0
57.07060	2.5
59.04972	1.3
61.02911	3.4
65.03948	1.3
67.05502	52.4
69.03424	6.3
69.07067	14.0
70.17320	2.5
71.04959	1.5
79.05491	37.5
79.05952	2.0
81.07055	45.0
83.04968	4.0
83.08616	33.2
84.08894	0.9
85.02896	3.7
85.06545	2.3
86.09718	4.8
91.03964	1.4
91.05476	14.3
93.07043	29.2
95.04963	3.2
95.08015	1.8
95.08599	23.6
97.02877	1.9
97.10165	64.5
98.10506	1.4
101.09679	1.4
105.04488	1.1
105.07016	10.1
107.08588	31.4
108.08918	1.1
109.06497	1.4
109.10150	15.8
111.08076	3.8
117.07013	7.3
119.08569	7.2
121.10143	12.8
123.11690	5.0
124.99980	3.2
125.09623	66.8
131.08557	7.1
133.10155	6.0
133.22855	0.9
134.51263	1.0
135.08008	6.7
135.11697	9.6
137.13336	1.1
143.10667	2.5
145.10080	4.8
147.11681	3.4
149.13248	4.9
153.09070	4.7
159.11699	3.9
161.13251	3.2
163.14836	2.3
171.10175	4.9
171.11441	1.0
173.13263	2.4
177.16414	1.4
182.53880	1.0
184.07323	13.9
186.47105	0.8
187.14806	2.5
189.11209	47.1
190.11649	1.0
227.12769	80.8
228.13083	2.4
233.22604	1.4
243.21017	7.0
245.13832	100.0
245.45287	1.0
246.14192	2.3
261.22116	21.4
272.68414	0.9
279.23224	2.7
317.24719	3.6
335.25784	67.0
336.26083	3.2
347.69836	1.3
373.47821	1.2
431.31805	2.3
487.34039	7.6
505.35217	39.0
506.35571	2.5
523.35864	3.0
670.25757	1.4
702.28394	4.7
702.45587	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55875	4.2
55.05509	14.2
55.79119	4.1
56.18616	3.9
57.03445	8.9
57.07080	11.0
59.05009	6.4
61.02934	5.1
67.05505	100.0
69.03456	4.7
69.07069	5.6
70.06602	15.4
71.05008	7.6
79.05498	22.8
81.07057	23.4
83.08603	7.5
88.07641	10.5
91.05476	29.1
93.07057	30.1
95.04999	6.6
95.08612	15.8
97.10134	4.7
102.09212	6.8
105.07027	45.0
107.08603	23.5
109.10154	76.9
110.07170	4.4
117.07027	8.5
119.08578	31.2
121.10161	10.6
129.07019	9.9
131.08565	15.2
133.10149	27.1
135.11714	8.7
137.07092	4.3
143.08557	8.5
145.10133	12.7
147.11685	27.4
149.02338	43.0
149.03415	6.6
157.10150	9.6
159.11682	12.9
161.13264	18.8
171.11597	5.3
173.11800	23.2
173.13058	4.7
175.14833	5.8
186.96043	4.4
193.04991	16.4
227.12729	10.7
229.14346	84.3
229.16646	5.0
231.21169	5.4
237.32365	4.1
241.19540	16.5
256.26407	30.7
259.20596	63.0
301.47696	4.1
315.23392	5.0
333.24167	40.3
385.09344	6.9
410.78494	4.7
429.11819	10.1
473.14200	7.7
487.34085	20.9
505.35605	24.2
702.37610	81.2
703.37909	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	703.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
61.02904	0.4
69.03432	0.9
70.06589	0.5
71.43117	0.3
72.08152	0.4
73.02934	0.4
74.59653	0.4
81.03428	0.6
84.08134	0.5
85.02895	3.1
86.09711	0.8
91.03940	0.5
91.05470	0.6
95.08628	1.1
97.02912	1.2
104.05318	1.0
107.08623	0.4
109.10196	0.9
111.13411	0.4
119.08604	0.6
120.08129	0.5
121.23419	0.4
127.03889	0.6
137.09660	0.8
145.04944	1.3
151.07605	0.4
154.93541	0.4
155.10765	0.4
163.03923	0.7
163.06049	1.3
165.09081	2.2
171.15385	0.4
181.04880	0.6
183.10175	1.3
201.11296	1.6
213.43951	0.3
252.75148	0.4
310.33386	0.4
332.96259	0.4
347.09280	0.4
353.11996	1.0
497.16116	0.6
515.17273	10.7
516.17407	0.4
541.18701	1.5
573.17700	0.6
577.04803	0.4
631.46222	0.5
643.22119	0.8
703.24127	100.0
704.24237	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	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	3.8
69.41306	13.7
79.05491	2.9
81.07050	7.0
93.07010	2.9
97.51354	2.4
98.78499	2.8
111.55418	2.6
131.08467	2.7
178.94836	2.5
184.07394	7.3
228.75412	2.8
235.12135	3.1
237.13860	3.7
249.93176	2.9
251.15413	2.7
272.43390	2.9
353.18811	3.2
381.20978	4.1
393.21582	3.5
394.17865	4.5
409.20187	39.1
410.21149	4.0
421.20578	4.6
423.21854	23.0
424.22641	18.8
429.20547	4.9
435.04343	3.4
453.19333	8.7
465.23190	3.7
467.20670	5.3
481.22672	6.7
490.84109	3.6
497.25436	23.8
507.23938	3.6
524.23682	4.9
526.22693	4.6
537.20996	4.4
539.26190	5.0
541.24445	35.9
542.24829	4.4
553.21094	7.9
567.26276	8.1
569.23486	4.2
579.21417	4.3
584.26117	24.8
585.27057	3.6
597.23822	4.4
611.24915	11.7
612.25317	3.2
628.25220	6.1
629.25751	7.6
639.24585	18.1
643.28046	6.0
653.25598	10.5
671.27008	97.6
672.27429	8.3
685.28668	34.9
703.29724	100.0
704.30267	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	704.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05509	8.8
57.03432	7.7
57.07074	1.9
67.05499	16.6
69.03426	4.4
69.07065	9.7
70.74800	2.6
71.35144	1.4
79.05496	10.5
81.03418	24.4
81.07052	25.4
83.04976	3.2
83.08635	2.6
91.05463	6.7
93.07053	10.2
93.84715	1.2
95.04961	30.3
95.08607	22.8
97.06507	2.3
97.10153	2.6
105.07014	18.9
107.05000	3.1
107.08585	14.6
109.06532	8.8
109.10155	26.9
111.08107	2.0
111.11709	2.0
113.06001	3.4
117.07005	3.0
119.08575	25.4
121.06509	5.1
121.10132	11.5
123.04433	6.0
123.08068	15.7
123.11693	8.5
124.45472	1.4
125.09623	6.6
129.07039	2.2
131.08548	9.4
133.10112	20.4
135.08080	9.9
135.11693	8.9
137.05957	1.9
137.09593	2.5
137.13248	3.1
139.07558	1.6
143.08571	5.5
145.06479	5.4
145.10114	17.3
147.08051	4.8
147.11685	27.9
149.09586	3.1
149.13246	7.3
151.07556	3.3
151.11194	14.6
155.08609	2.0
156.09470	1.6
157.10107	6.6
158.10899	2.5
159.08090	4.8
159.11665	15.1
161.09605	10.3
161.13258	25.0
163.07599	1.5
163.11195	3.7
163.14836	3.3
165.12749	1.8
169.10114	3.3
171.11707	4.6
173.09566	4.4
173.13249	23.6
175.11176	5.4
175.14789	17.4
176.11960	1.8
177.16338	2.0
179.10657	18.2
181.10062	1.7
183.11655	3.8
185.09654	3.4
185.13251	4.6
187.11200	3.9
187.14847	7.8
189.09123	1.7
189.12759	5.3
189.16394	1.8
191.10663	2.9
191.14336	25.7
193.12209	18.3
197.13289	1.5
199.11197	5.2
199.14873	2.6
201.12811	3.4
201.16336	6.7
202.15860	1.8
203.10667	1.6
203.14378	3.4
205.12277	9.9
207.10251	1.8
207.13846	10.4
209.13451	2.0
209.15469	5.4
211.11064	2.8
213.12778	4.0
215.14322	2.8
215.17915	2.1
217.12260	2.9
217.15868	1.9
219.13776	18.3
220.16747	1.5
221.15332	16.6
225.12805	2.4
227.10800	2.3
227.14325	3.8
229.12219	2.0
229.15976	1.9
231.13821	3.9
233.15407	3.1
237.12854	1.8
239.14334	3.2
243.21225	1.9
253.15974	2.2
255.13834	1.9
257.15381	3.9
257.22641	37.6
259.16986	2.2
263.16446	5.2
267.17407	3.0
271.16940	1.8
277.15900	1.9
285.18539	4.3
285.21872	2.7
287.16391	4.6
289.21484	1.8
295.16806	6.7
300.13623	2.9
303.23154	25.2
305.17459	4.5
313.17953	46.0
314.18414	3.4
323.18427	17.2
331.19019	100.0
332.19269	4.9
349.20007	8.6
366.22748	20.3
413.32294	1.5
587.40985	3.5
605.41687	4.6
633.40796	2.4
647.33527	1.8
704.39825	4.5
705.38525	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	705.185
Annotation	Diinsinin
Peak:m/z	Relative Intensity
52.99387	0.5
64.51962	0.4
270.81973	0.4
525.12170	0.5
543.13257	31.2
544.13794	0.8
705.18445	100.0
706.18732	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	705.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93633	0.5
57.00393	0.4
70.12449	1.2
98.22771	0.7
114.19328	0.5
295.69418	0.5
455.15454	0.5
543.13177	29.8
544.13654	0.8
634.81970	0.6
705.18408	100.0
706.18872	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	705.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
67.05507	0.7
69.03415	2.4
69.07064	0.4
69.87691	0.3
71.04967	0.4
76.31563	0.4
79.05499	1.4
81.03413	2.1
81.07052	2.3
83.04978	1.6
85.02895	3.6
87.00841	1.1
89.01855	0.3
91.05491	1.0
93.07073	1.0
95.04970	1.0
95.08621	1.7
97.02892	1.3
99.04436	0.8
99.08105	0.6
105.01873	0.8
105.07023	1.5
107.04952	0.6
107.08581	5.1
109.02880	2.0
109.06536	1.1
109.10179	1.7
117.07009	0.4
119.08553	0.8
121.06524	0.6
121.10122	3.9
122.07309	1.0
125.09651	1.2
125.79438	0.3
127.03910	3.6
131.08562	0.6
133.10120	12.6
135.08015	2.1
135.11713	0.8
137.09607	7.8
139.11250	0.5
145.04999	0.5
145.10164	0.6
147.11697	0.9
149.09641	1.1
149.13264	3.1
151.03897	0.5
151.11162	6.0
161.05898	0.5
163.03882	0.7
163.14868	1.1
165.12735	0.5
173.13266	2.1
189.03931	0.6
191.14291	19.1
192.14731	0.4
209.15340	9.0
209.17184	0.5
213.04062	0.9
229.04547	0.4
231.05151	0.9
265.15363	0.6
273.06076	0.8
403.17532	0.5
421.18777	0.4
423.07947	0.6
547.08752	0.5
636.44043	0.4
686.48920	0.6
704.50128	100.0
705.50372	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	705.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01863	1.9
55.05509	3.4
55.51466	0.9
57.03422	1.9
61.02910	1.5
67.05507	4.3
68.99812	1.4
69.03427	18.7
69.07055	4.3
71.04982	3.7
71.72910	0.7
73.02914	2.6
79.05497	8.0
81.03416	9.5
81.07060	9.3
83.04983	10.7
83.08628	1.4
85.02900	19.2
87.00820	7.0
91.05485	5.3
93.07041	5.5
93.60670	1.0
95.04964	3.9
95.08599	11.6
97.02879	9.7
97.06538	2.5
99.04446	2.7
99.08099	2.4
103.03963	1.4
105.01859	5.8
105.07030	7.0
107.04947	5.1
107.08587	33.1
108.08877	0.9
109.02878	9.8
109.06511	6.1
109.10149	11.1
111.04443	1.3
111.08059	1.6
115.05464	1.5
117.07011	2.1
119.08571	3.8
120.58976	0.8
120.77038	0.9
121.06505	3.3
121.10135	22.3
122.07275	3.7
123.04440	1.1
123.08052	3.3
123.11736	1.4
125.02334	1.2
125.09637	6.0
127.03911	15.0
129.01855	1.3
131.08554	3.2
133.10120	65.2
134.10446	2.2
135.08052	12.7
135.11710	3.0
137.09607	39.2
138.09830	0.8
139.11208	2.7
145.04942	3.6
145.10167	1.6
147.11662	6.2
149.09618	7.0
149.13249	14.8
151.03886	2.4
151.11171	43.3
152.11540	1.7
153.09032	1.0
158.10939	1.6
159.02893	1.9
161.06023	4.3
163.03960	0.9
163.14803	8.1
165.12769	3.4
169.04979	2.9
171.02864	0.9
173.13249	10.5
181.05042	1.0
187.06038	1.6
189.03935	3.1
191.14294	100.0
192.14603	4.2
193.04936	1.1
194.30927	0.8
202.11038	1.1
209.15352	57.7
210.15726	2.0
213.03970	4.7
213.09099	2.2
217.04999	0.9
225.09073	2.3
227.10571	1.3
231.04962	4.2
235.05972	0.9
243.10181	2.5
265.15460	8.0
273.06049	6.1
315.07187	1.0
339.07114	1.5
357.08099	1.6
403.17184	1.9
405.15454	1.5
421.18564	1.7
427.20602	1.2
439.19522	1.2
443.07919	1.2
461.09283	1.6
514.50623	0.8
704.50159	82.6
705.50409	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	705.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02745	0.3
55.01859	0.9
55.05494	0.5
57.03430	2.4
59.04987	0.2
61.02930	1.2
61.14069	0.2
69.03420	2.2
70.49868	0.4
70.50189	0.3
71.01319	0.4
71.04994	3.7
73.02914	5.7
75.04449	0.4
81.03381	0.4
83.04971	1.9
84.04487	0.6
85.02900	9.4
85.03410	0.5
87.04475	0.4
89.70572	0.2
91.05467	0.3
97.02876	2.3
99.04453	0.5
103.03927	0.3
109.02874	0.4
111.04417	0.9
115.03928	1.4
117.03353	0.9
119.04910	0.3
122.02747	0.3
127.03967	0.5
129.05472	1.6
130.05038	0.3
133.04968	0.9
145.02844	2.6
146.06030	0.3
147.06477	0.5
149.05968	0.5
149.07378	0.3
156.31407	0.2
160.07484	0.2
163.03893	1.2
166.08640	1.7
174.05513	1.2
175.06252	1.1
176.07050	1.1
177.05463	5.2
187.06201	0.3
188.07077	2.2
202.08609	1.0
206.08107	47.1
207.08449	1.4
219.07536	0.3
220.09677	2.9
225.07555	0.4
229.09741	0.4
230.08041	1.3
236.10297	1.0
247.10793	2.9
248.09160	68.3
249.09512	2.6
261.12714	0.4
265.11810	100.0
266.12192	3.2
325.12122	1.4
387.01553	0.2
411.17380	0.7
427.17087	15.8
428.17557	0.5
429.62854	0.3
437.17377	0.3
446.14093	0.8
573.22766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52949	0.5
52.93528	0.4
67.79419	0.5
70.77302	0.7
81.07057	0.6
86.09695	0.7
95.08608	0.5
110.49352	0.5
120.08099	0.6
124.71654	0.5
125.00018	1.0
144.43205	0.4
166.08832	0.4
184.07327	2.9
208.10060	0.7
209.10677	0.9
210.11533	1.0
211.12343	0.8
221.10722	0.8
222.23537	0.5
223.08777	0.6
223.12373	1.8
224.13037	0.6
225.10306	1.0
225.13751	3.2
226.14687	0.9
234.11562	0.5
237.10228	0.7
237.13896	2.6
238.14624	0.6
247.12105	0.6
248.12981	0.5
249.10298	0.6
249.13908	1.1
251.08174	1.9
269.12860	0.7
275.15527	0.5
309.08838	0.6
310.36581	0.5
314.12967	0.7
316.14688	0.5
366.16071	0.7
388.17346	0.5
389.17722	0.9
399.19327	0.6
400.14944	0.5
403.15469	1.5
404.16269	1.0
405.20813	1.0
417.16940	3.0
418.17706	3.1
419.22839	0.7
431.19058	2.6
432.19092	2.5
433.20166	4.4
434.21011	0.5
445.16364	1.1
446.21136	0.9
447.21802	10.0
448.22452	1.1
455.17767	0.6
458.18185	0.6
460.19080	0.9
461.18945	1.0
474.20175	1.1
475.21234	25.3
476.22015	5.3
489.22809	1.0
503.20694	3.4
505.22122	1.2
507.23923	1.0
521.21686	0.6
533.21680	1.9
534.22400	0.8
535.23364	14.3
536.24268	1.1
547.23450	1.8
548.23938	2.7
549.24786	6.2
550.24963	0.8
560.65808	0.5
575.23010	0.8
576.23761	0.9
593.24255	1.1
607.25366	9.0
608.26202	100.0
609.26434	8.2
687.31110	0.6
705.42163	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	705.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37061	0.7
67.05524	1.4
77.03542	0.8
81.07049	1.3
85.96342	0.8
91.05496	0.8
94.99777	0.8
100.39867	0.7
105.00814	0.7
120.86953	0.9
124.99935	0.9
184.07365	1.2
210.11609	1.2
211.12321	0.9
221.10686	0.8
223.08517	1.1
223.12376	1.7
224.13292	0.8
225.13870	3.0
226.14560	0.9
237.13896	2.1
251.08147	1.4
270.13809	1.0
402.14505	0.9
403.15411	2.2
403.19937	1.2
405.21155	1.6
417.17123	3.0
418.17932	3.0
431.18735	1.9
432.19196	3.3
433.14938	1.0
433.20050	4.3
447.21735	10.9
448.22485	1.3
461.19315	1.2
475.21298	19.7
476.21909	4.7
502.21719	0.8
503.20978	2.3
533.21863	1.5
535.23468	9.2
547.23138	1.5
548.24066	3.5
549.25269	3.9
575.22620	1.0
576.23193	1.5
607.25372	10.5
608.26227	100.0
609.26563	8.2
705.30762	1.3
705.42249	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11523	0.6
59.33195	0.5
67.32458	0.5
70.56183	1.0
85.02954	0.7
86.35749	0.5
98.22746	0.6
122.19730	0.6
139.92328	0.5
152.24319	0.6
185.04201	15.3
203.03168	2.9
241.93994	0.6
341.74564	0.7
365.08408	100.0
366.08652	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	707.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.99321	0.8
55.05523	0.9
62.48628	1.0
65.03943	1.7
67.05502	2.7
69.07059	3.3
71.26882	1.4
79.05488	13.3
80.04997	1.6
81.03432	1.4
81.07059	2.2
83.04992	1.1
91.05469	4.6
93.07049	2.9
94.06563	6.0
95.04973	4.0
95.08577	1.4
101.05508	0.9
105.07020	2.4
106.06543	14.5
107.08602	1.3
108.04465	2.1
108.08115	2.3
116.04961	1.2
119.08640	1.1
121.06475	1.0
122.06031	14.4
123.06808	5.7
124.07580	4.4
134.06003	19.0
136.07590	4.0
138.09137	4.4
140.07054	22.4
146.05962	6.5
151.06285	10.6
152.07106	1.9
154.08650	2.7
162.05528	1.7
166.08615	56.0
172.03926	10.0
173.04733	3.0
174.05508	12.3
176.07086	1.4
182.08176	3.8
190.05003	2.1
191.05774	1.9
196.09760	1.3
197.10573	1.4
198.11264	5.2
204.06537	16.5
206.08058	4.7
210.09212	1.7
212.09331	2.0
213.10257	3.1
224.10843	1.7
225.10165	5.4
227.11713	2.2
235.08685	1.1
237.10062	1.6
238.07277	1.5
239.08092	7.0
239.11729	2.8
240.08910	2.0
240.12340	3.5
241.09659	1.8
249.10249	3.6
250.11177	1.1
251.08115	2.3
251.11848	1.7
252.08945	1.0
252.10262	0.9
253.09669	7.6
254.10526	2.7
255.11214	1.6
263.08157	3.3
264.08810	1.8
265.09647	2.7
266.10495	1.4
267.11292	4.2
276.08722	2.1
277.09573	5.7
278.10477	3.0
279.07739	2.5
279.11060	2.5
280.08411	6.2
281.09186	13.2
281.12329	1.9
283.10709	1.4
285.12384	5.1
287.13882	1.5
293.12726	1.6
294.10080	1.4
295.10742	12.6
296.11514	1.7
297.12463	1.4
298.13513	1.3
299.14038	2.5
300.19867	1.0
301.15457	12.1
305.09253	3.7
309.12347	1.7
311.10620	1.3
311.13904	3.8
312.11066	9.0
313.11829	58.3
313.15329	5.1
314.12433	5.3
323.10303	3.4
326.13458	3.7
327.13382	12.3
328.14148	7.4
331.12793	2.7
331.16565	1.3
337.11780	10.2
338.12540	1.2
341.14874	7.8
345.14529	5.2
345.18829	1.0
349.23798	1.3
353.14999	4.2
354.12527	1.1
355.12891	12.8
357.14465	1.3
368.13763	1.3
369.14404	69.1
370.14963	6.2
381.14383	2.0
384.13290	1.4
385.13583	1.5
387.15176	2.9
397.14236	1.0
401.17044	16.7
413.17154	12.6
446.17221	1.5
466.23285	2.4
468.21149	10.9
470.16977	2.4
471.17801	1.5
478.19763	2.4
502.19586	2.7
503.20062	1.6
510.22330	100.0
511.22766	4.8
520.20435	2.0
534.21912	2.1
542.24829	14.1
543.25513	1.9
552.23340	3.0
566.25269	1.1
611.24750	3.1
643.27887	6.9
644.27588	1.4
707.39526	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	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31953	0.4
57.62164	0.4
59.55608	0.4
69.84099	1.3
77.85953	0.4
78.74519	0.4
87.04483	0.9
124.28547	0.3
165.54039	0.4
184.07390	1.1
202.21063	0.5
269.17474	0.4
334.21530	0.4
353.88638	0.4
357.21280	0.5
391.28644	0.4
409.62772	0.5
429.15140	0.6
535.27008	0.6
585.34607	0.4
707.37585	100.0
708.37988	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	707.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41135	0.5
67.05494	1.0
69.86279	1.0
69.86621	1.6
83.62696	0.8
87.04469	1.6
91.05489	1.0
105.07013	1.0
112.40868	0.7
122.67445	0.6
134.42656	0.6
184.07390	0.7
231.37831	0.6
233.11090	0.7
337.12854	0.7
418.18039	0.7
429.15225	0.8
434.88214	0.7
447.39954	0.6
509.52072	0.7
513.13507	0.8
561.88690	0.7
707.37585	100.0
708.37903	8.8
731.54102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01867	0.4
55.05516	2.1
57.03435	2.2
61.02926	6.0
65.03945	0.4
67.05504	5.1
69.03423	3.6
69.07064	1.5
71.01355	0.6
71.05003	0.4
73.02920	4.6
73.09525	0.3
77.09224	0.4
79.05492	3.7
81.03386	1.9
81.07051	5.1
83.04993	0.5
83.08623	1.6
85.02899	5.2
85.33235	0.4
87.04479	0.5
91.03954	3.1
91.05470	2.2
93.07046	3.0
95.04983	1.0
95.08602	3.1
97.02904	4.5
97.06534	0.4
97.10168	1.8
99.04479	1.1
101.02384	2.1
103.03915	0.5
105.07014	1.7
107.08587	2.3
109.02888	0.7
109.10191	1.2
111.96310	0.3
117.07030	0.6
119.08593	1.2
121.10159	1.5
122.15530	0.4
123.11687	0.4
125.09650	1.7
127.03936	1.2
131.08600	0.9
133.10156	0.9
135.11729	1.0
140.43484	0.4
145.10165	0.7
147.11676	0.5
161.13358	0.5
185.04169	0.7
189.11226	1.2
203.05286	0.6
211.09488	1.3
222.25050	0.4
229.69223	0.4
243.08447	1.5
261.22241	0.4
319.47964	0.4
335.25848	0.8
390.65701	0.3
394.24985	0.4
418.06479	0.4
429.17288	3.4
519.29254	8.5
707.39709	100.0
708.40253	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	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01873	0.4
55.05507	2.6
57.03437	1.7
61.02920	5.0
61.03152	0.4
67.05505	3.6
69.03421	3.0
69.07072	1.2
69.68108	1.7
70.41266	0.4
71.01336	0.5
71.05001	0.5
73.02919	2.6
79.05482	3.0
81.03423	1.6
81.07057	3.7
83.04980	0.6
83.08626	1.4
85.02907	4.5
87.04487	1.1
91.03959	3.2
91.05479	1.4
93.07053	2.5
95.04970	0.4
95.08587	2.6
97.02897	3.2
97.10172	2.6
99.04457	0.9
101.02401	1.6
105.07043	1.0
107.08617	1.9
109.02902	0.6
109.10162	1.0
117.07033	0.6
119.08575	1.1
121.10165	1.4
125.09595	3.0
127.03948	1.6
131.08562	0.8
133.10188	0.5
145.10060	0.5
155.93484	0.5
170.75165	0.4
178.68523	0.4
185.04205	1.1
189.11296	2.4
203.05284	0.6
211.09436	1.8
243.08455	1.1
261.98514	0.5
267.12103	0.7
429.17279	8.9
519.29230	4.2
707.39734	100.0
708.40070	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	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01471	0.3
53.03947	0.7
53.92854	0.3
55.01879	0.6
55.05511	1.3
55.38513	0.3
57.03437	1.5
57.10127	0.3
57.72372	0.4
59.05022	0.4
61.02930	4.6
67.05504	7.4
69.03425	2.2
69.07067	1.0
69.09778	1.0
69.10200	1.2
71.05011	0.9
73.02912	3.7
74.09785	0.3
79.05482	3.5
81.03404	1.9
81.07062	3.4
81.76408	0.3
81.80116	0.3
83.08640	0.8
85.02906	4.2
85.06545	0.7
87.04479	0.4
91.03951	3.1
91.05486	3.2
93.07047	3.4
95.04980	1.1
95.08582	1.8
97.02885	3.9
98.23537	0.7
99.04465	1.1
101.02402	1.5
105.07014	2.6
107.08612	1.5
109.02905	1.0
109.10162	5.8
109.10877	0.4
117.07055	0.5
119.08585	2.5
121.10164	1.6
127.03962	1.4
129.07048	0.5
131.08606	0.7
133.10129	1.9
135.11681	1.2
137.09642	0.4
143.08618	0.5
145.05006	0.5
145.10153	0.4
147.11729	1.2
149.13310	0.4
159.11678	0.6
171.11620	0.3
173.11786	1.7
183.11893	0.4
185.04268	1.1
186.39078	0.4
195.09973	0.8
201.03773	0.4
203.05627	0.3
229.14384	1.0
235.13109	0.4
243.08383	2.6
267.15872	0.4
275.81064	0.4
280.61182	0.3
301.08917	1.1
319.91360	0.4
335.25958	0.5
339.13705	0.4
373.10938	0.6
397.18378	0.5
413.17813	7.8
429.17694	0.4
456.40842	0.3
465.20920	0.8
485.20154	1.4
535.28754	7.4
536.29456	0.6
595.31714	0.4
671.16852	0.6
707.39722	100.0
708.40076	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	707.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.8
55.05505	22.9
61.65216	5.6
67.05499	72.2
69.07070	18.0
79.05480	58.6
81.07058	56.1
91.05479	33.0
93.07034	46.7
95.04967	8.8
95.08610	37.1
98.22624	12.9
105.07038	20.6
107.08585	25.1
109.06477	6.1
109.10153	17.9
112.99998	43.9
117.06994	10.7
119.08552	7.6
121.10147	21.1
123.11699	10.3
130.60599	6.5
131.08609	11.6
133.10126	11.1
134.98218	13.9
135.11630	13.2
145.10118	15.2
149.13313	8.1
157.10240	7.2
158.89996	5.6
163.36771	5.9
169.02611	8.3
175.14810	6.6
189.16335	8.3
261.22076	11.9
317.24698	11.4
595.47070	100.0
707.45721	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	708.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56582	0.2
52.03164	0.4
53.00288	0.3
53.03953	0.4
55.01882	0.9
57.03425	0.3
65.03939	4.3
67.05499	3.1
69.03438	0.3
70.56373	0.6
77.03934	0.5
82.04205	1.2
85.02905	2.7
85.37880	0.2
93.03416	0.7
95.04978	1.7
96.82520	0.3
97.06524	1.2
98.44162	0.2
105.04533	0.7
108.02081	2.9
108.11411	0.2
109.02906	0.5
110.03664	1.8
111.04429	1.7
123.00787	0.3
125.06036	1.1
127.56886	0.2
129.05508	0.3
136.01480	0.5
138.03127	1.0
141.05452	2.2
142.02582	0.4
151.03900	100.0
151.04979	7.5
152.04218	1.8
153.05415	2.1
163.03877	0.4
169.04869	0.3
171.06517	3.9
181.04942	66.3
182.05302	2.0
263.12619	0.3
297.05966	0.7
325.05524	1.4
327.07001	0.6
355.06467	0.3
432.04407	0.3
523.10498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05513	1.4
55.54711	0.3
57.03436	4.6
61.02925	1.8
65.03931	0.7
67.05486	0.4
69.03426	4.6
69.35271	1.0
69.35682	0.7
70.06566	0.3
71.01344	0.9
71.04988	8.9
73.02914	12.8
75.04475	1.3
79.05492	0.4
81.03413	0.7
81.07043	0.6
83.04981	5.9
85.02901	20.0
87.04453	0.9
89.70023	0.3
91.05476	9.0
93.20791	0.3
95.04969	0.9
97.02889	5.1
97.06481	0.4
99.04431	0.5
103.03950	0.7
109.06524	0.6
111.04440	4.7
115.03922	5.1
117.07015	0.4
119.04943	6.4
123.04418	0.6
127.03888	1.0
129.05479	6.5
129.06950	0.4
129.10347	0.3
131.04962	0.3
131.08572	0.5
133.04948	2.1
137.05971	100.0
138.06310	2.1
139.03879	0.9
141.06978	0.7
143.04929	0.5
143.08542	0.8
145.04958	0.5
145.06444	0.7
147.06506	4.9
149.04366	0.4
149.05983	0.7
151.03923	0.5
151.07599	0.3
154.07813	0.6
155.08540	0.3
157.04999	0.3
159.08084	0.5
160.05186	0.5
161.05956	2.7
161.09592	0.3
163.03821	0.4
163.07561	0.5
165.05460	0.9
165.07600	0.3
169.05009	0.6
169.06441	0.7
169.10100	1.7
171.06557	0.5
171.07974	0.7
173.05984	1.1
173.09564	0.6
175.07492	0.3
177.05438	0.3
179.07143	0.3
181.04961	0.5
183.06323	0.4
185.09636	0.4
186.06706	0.8
187.07529	0.6
187.11125	0.9
189.09047	2.7
191.07054	0.6
193.08601	1.0
197.09590	1.6
201.09201	0.6
205.12248	0.9
207.10197	0.4
215.10655	8.1
225.07599	1.9
231.10234	0.6
233.11720	14.9
234.12036	0.5
243.08510	1.9
251.12766	8.3
255.08568	0.5
261.09760	0.9
275.12766	0.6
279.10730	1.9
309.11780	0.8
343.15381	0.5
348.18176	0.3
361.16556	0.3
379.17715	1.5
533.98822	0.3
534.90356	0.3
731.69360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05491	2.4
56.05038	4.7
57.03427	2.0
58.99574	3.3
61.01152	1.4
67.05503	2.7
68.05003	1.5
68.82439	0.9
69.03416	2.4
69.37931	1.0
70.06583	4.6
71.04974	0.9
76.03982	1.4
79.05488	18.3
80.05006	3.0
81.07049	13.3
82.06564	3.0
83.08574	1.2
84.04493	4.3
84.08116	1.0
85.01120	31.7
85.02889	2.1
85.04023	2.4
86.00638	11.5
86.06067	5.9
86.99048	1.0
87.04449	1.7
91.05466	2.4
93.07037	3.4
94.06561	2.7
95.04951	2.4
95.08606	2.9
96.08136	5.1
97.01105	1.3
97.02841	1.3
97.08903	4.4
98.06046	10.2
98.09685	11.6
105.04527	1.1
105.07024	4.5
107.07356	1.5
107.08575	1.1
108.08097	3.0
110.06034	2.0
110.09667	5.0
112.03929	5.0
112.07590	1.5
113.04222	34.8
116.01680	8.3
116.61468	1.0
119.08566	1.3
121.06487	1.6
122.09650	6.2
123.08027	1.6
124.07567	3.1
127.03905	1.1
127.05814	1.5
130.04991	17.1
130.05913	1.8
133.06421	1.0
133.10106	1.3
136.07553	6.3
137.09619	2.4
139.05733	2.3
143.02728	1.8
144.01189	1.0
145.06276	1.2
147.07948	1.0
149.09605	2.3
150.09172	5.4
152.07054	3.6
156.08414	28.2
156.10188	15.6
157.10162	2.8
157.31236	1.0
159.08052	1.6
159.11598	1.2
161.09590	2.1
163.03911	1.5
164.07056	9.1
169.10214	1.4
171.07999	1.1
171.11717	3.0
173.09508	1.2
177.03287	3.4
178.08630	2.9
179.08496	0.9
182.08109	2.2
183.11610	1.3
185.13280	2.0
189.03267	2.4
189.12758	2.4
196.09674	3.5
199.11218	1.9
199.14871	1.5
201.12740	1.8
209.13171	1.4
211.11130	1.1
213.12704	3.8
214.13429	2.3
223.11229	1.6
223.14795	1.2
224.09198	3.6
227.14287	7.4
237.12813	1.6
237.16383	1.4
241.12236	1.2
242.08459	7.6
245.15361	2.9
247.14833	2.3
255.13853	1.6
259.11099	100.0
260.11282	2.4
262.14337	1.2
264.11298	1.3
265.15845	5.1
267.13947	1.1
283.16736	1.7
290.13937	1.9
293.15338	5.6
311.16205	2.7
340.18857	2.0
358.19971	1.1
368.22107	2.3
378.20432	2.9
396.21674	4.9
400.11221	1.1
414.22714	71.2
415.22818	3.8
432.23782	73.7
433.24054	3.7
440.62183	0.9
484.59515	1.1
548.72516	0.9
654.08453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54165	0.6
55.05519	1.5
57.03421	1.4
61.02913	3.1
67.05493	2.7
69.03432	2.6
69.07064	1.0
70.06591	1.6
71.04980	0.6
73.02931	1.7
79.05504	2.5
81.03416	3.1
81.07042	2.7
83.04968	1.0
83.08594	0.8
83.42310	0.6
83.63111	0.6
85.02907	2.5
85.23251	0.6
87.04470	8.2
91.03939	1.1
91.05481	2.8
93.07055	2.1
95.04961	2.6
95.08604	1.6
97.02908	2.4
97.06529	1.2
101.02364	0.6
105.07024	1.6
106.98640	0.6
107.04995	1.1
107.07378	0.7
107.08592	0.8
109.06524	0.9
111.04462	0.6
118.06580	2.5
118.46834	0.6
119.08569	1.4
121.10181	1.2
130.06519	1.6
131.07301	0.8
132.08102	2.3
133.10101	0.9
135.11714	1.9
144.08098	1.3
145.10147	1.4
146.09668	2.1
147.11661	0.7
152.07076	0.7
163.03813	0.6
163.11214	2.7
166.08717	1.2
172.04074	0.8
173.09708	0.7
181.04953	0.8
181.12355	0.9
188.14432	0.8
193.12219	1.3
193.92978	0.6
202.15979	0.7
204.06554	1.4
211.13124	0.7
216.17708	0.6
227.12805	1.4
228.17560	1.2
232.13278	0.9
240.12277	3.3
241.12704	2.3
256.17007	1.0
262.18091	0.7
265.14438	1.0
267.15942	3.1
283.15497	2.2
301.16354	0.8
311.34967	0.7
324.26996	2.3
331.16492	0.8
340.26291	4.6
356.26022	0.7
358.27585	1.0
368.25809	18.5
369.26199	1.4
386.26855	10.7
404.28033	3.3
442.29541	3.9
457.26111	0.7
460.30569	13.1
475.26645	4.3
490.31836	4.5
493.28058	2.8
511.29144	1.2
546.34326	11.3
547.34271	0.8
708.39465	100.0
709.27332	2.7
709.39996	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	708.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.7
57.03432	5.0
57.07068	1.5
57.52586	1.5
61.02923	27.1
67.05505	41.8
69.03426	5.4
69.07069	7.3
71.04993	2.3
71.08644	1.4
73.02933	8.3
75.04503	1.6
79.05492	28.0
81.03455	2.8
81.07054	59.2
83.08624	5.4
83.41904	1.5
85.02902	38.1
87.05141	1.8
91.03956	25.7
91.05473	14.4
93.07043	34.9
93.07611	2.6
95.04962	2.8
95.08603	39.5
97.02883	16.1
97.06539	2.3
97.10187	3.3
99.04446	2.8
105.07038	12.9
107.08593	27.9
109.10152	26.1
115.03936	2.0
117.07030	5.7
119.08559	9.4
121.10157	22.6
123.11705	13.9
127.03888	12.4
131.08580	14.5
133.10120	11.1
135.11681	24.7
137.13251	4.7
145.04941	15.5
145.10118	12.6
147.11694	9.6
149.13248	17.6
159.11705	11.4
161.13268	9.3
163.06030	17.1
163.14828	12.0
173.13258	14.0
175.14906	3.2
177.16402	6.3
179.14288	2.2
184.07364	6.7
187.14835	7.1
191.14369	2.5
201.16380	3.2
205.15842	2.9
233.22630	3.8
235.19170	1.6
242.82878	1.7
243.21075	33.8
244.21461	1.9
261.22141	100.0
263.23785	2.2
314.96225	1.8
335.25830	13.7
336.84457	1.6
353.26871	55.1
354.27383	3.2
391.73431	1.7
578.13733	1.6
708.40161	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84188	1.2
55.05509	6.6
57.03427	5.7
57.07072	1.9
59.06103	1.3
59.57269	1.3
61.02925	25.8
65.03935	1.6
67.05162	2.4
67.05503	40.8
69.03413	4.3
69.07066	8.4
71.08622	2.6
73.02917	7.1
79.05486	27.6
81.03416	3.2
81.07053	55.4
83.08627	4.8
85.02901	35.4
85.06550	1.4
91.03952	28.6
91.05460	12.4
93.07039	30.6
95.04997	3.0
95.08601	39.9
97.02894	18.3
97.10176	2.6
99.04466	3.5
99.08118	2.0
105.07028	12.6
107.08587	21.2
109.10145	26.5
111.11692	2.0
112.74983	1.4
114.23139	1.3
115.03935	1.4
117.07023	5.3
118.43656	1.3
119.08559	8.5
121.10136	23.5
123.08016	1.6
123.11714	15.1
125.09646	2.8
127.03877	12.3
127.11251	1.6
131.08574	11.4
133.10106	8.4
135.11688	20.7
137.09612	2.0
137.13246	7.7
139.11182	2.5
145.04942	13.5
145.10085	9.8
147.11646	6.9
149.13246	16.8
151.11147	3.9
159.11690	8.5
161.13260	9.6
163.06012	18.6
163.14795	14.2
165.12787	2.5
173.13281	11.6
175.14804	3.0
177.16400	5.8
179.14336	2.5
187.14825	6.1
194.10258	2.6
201.16402	2.9
205.15868	2.2
215.17992	1.9
219.17390	1.7
233.22675	2.7
243.21103	35.6
244.21237	2.0
261.22119	100.0
262.22424	4.7
277.46725	1.7
279.23196	5.2
335.25757	30.8
353.26834	50.5
354.27191	2.2
368.76398	1.5
629.25269	1.9
679.38593	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14014	0.7
55.05498	2.1
57.07076	63.5
59.05008	1.0
67.05499	3.0
69.03422	1.0
69.07056	1.0
69.45129	0.7
69.45421	3.8
71.08632	1.9
73.02922	1.2
73.06541	3.0
79.05491	2.7
81.07048	2.6
83.08595	1.4
87.04465	21.5
89.06029	100.0
91.05481	7.7
93.07046	6.7
95.04970	5.0
95.08612	1.5
98.23515	0.8
103.05458	2.3
105.04530	0.9
105.07034	3.5
107.04928	1.5
107.07064	3.3
107.08591	3.1
109.06555	2.1
109.10108	1.2
111.91572	0.8
113.13284	2.2
117.07019	2.5
117.09136	1.4
118.07792	4.6
119.04974	3.8
119.08587	7.0
121.06503	22.2
121.10146	1.5
123.08062	1.1
129.07039	1.4
130.08640	1.6
131.07050	10.1
131.08568	1.2
133.08603	69.2
133.10165	1.8
135.08038	3.5
135.11734	2.3
145.06505	1.2
147.08047	13.4
149.09599	5.2
150.06761	4.6
159.11726	2.9
163.11180	2.3
165.09134	10.3
167.10660	2.5
173.09698	0.9
175.09691	6.7
175.11005	1.2
176.76453	0.7
177.11237	26.1
177.12715	2.8
191.10677	3.2
193.12277	2.2
207.14058	0.9
209.11726	4.8
211.13353	2.5
219.12260	1.8
221.13829	6.6
223.47943	0.7
233.18996	22.8
234.19406	0.9
235.13367	2.8
239.14883	1.3
246.49898	0.8
247.20691	0.8
253.14413	1.4
255.15898	2.2
259.20596	3.2
265.16446	1.1
275.20120	1.2
275.23740	1.1
277.18591	1.7
277.21634	31.6
278.22009	1.4
279.15961	1.9
283.17462	1.5
299.18442	1.2
303.23181	3.8
321.24194	9.3
327.20142	0.9
353.21658	1.5
385.23273	0.7
559.37714	0.8
579.33630	3.4
653.86182	0.8
691.46204	8.7
708.38446	1.2
708.49567	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	710.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.5
69.03444	1.1
76.60621	1.0
77.00606	11.8
81.03400	1.2
85.02899	2.7
93.03682	2.4
95.01640	35.7
98.30945	1.0
101.04241	1.1
103.03936	13.9
109.03104	1.8
113.02738	1.2
119.05254	1.6
119.75871	1.0
121.03183	4.0
127.03887	1.8
131.05222	6.0
131.16603	1.0
133.01419	1.7
133.03154	6.0
143.05302	1.0
145.06799	4.1
147.04729	10.2
151.02412	9.5
151.20999	1.2
155.01900	2.8
161.77028	1.0
165.03981	8.8
165.05510	2.1
169.03471	90.1
170.03600	1.9
171.01373	8.6
174.72731	1.1
175.06303	2.2
175.07841	19.0
179.03722	1.0
183.04997	3.1
189.07635	1.9
189.09319	1.7
192.05006	1.6
193.07112	36.2
195.05034	17.8
197.06305	1.1
199.93765	1.1
203.07347	6.5
203.09000	1.2
211.02740	7.4
221.06567	1.4
227.02174	14.8
233.06522	4.2
235.04567	1.4
239.05820	3.5
247.09972	42.4
265.11029	4.1
279.07120	9.6
321.11826	100.0
322.12067	4.0
335.13409	3.9
353.14459	5.0
409.15085	1.4
484.42114	1.0
710.29468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.3
56.72378	1.3
57.03436	8.4
57.07079	10.0
57.13222	1.3
61.02924	25.5
67.05499	61.5
69.03410	2.9
69.07066	34.1
71.04989	1.9
71.08615	4.9
71.45415	1.8
73.02910	11.6
73.69667	1.2
75.04457	1.2
76.76633	1.2
77.93581	1.2
79.05487	23.2
81.03423	2.2
81.07051	100.0
83.04994	2.0
83.08614	24.4
84.04257	1.5
85.02904	33.7
85.06538	3.2
85.10145	2.3
87.31193	1.2
90.84883	1.4
91.03952	24.3
91.05460	13.0
93.07043	24.8
95.08602	90.6
97.02879	12.4
97.06528	7.7
97.10172	14.0
99.04419	1.7
99.08107	3.8
105.07036	9.7
107.08601	19.1
109.10151	46.1
111.08077	3.4
111.11714	6.7
113.09570	3.6
115.03937	1.7
119.08571	11.4
121.10146	21.2
123.11701	20.2
125.06142	1.3
125.09628	2.5
125.13242	1.8
127.03928	8.4
133.10127	15.3
135.11694	14.0
137.09592	1.8
137.13234	13.8
139.11163	4.5
145.04936	12.7
147.11667	11.0
149.13193	7.2
151.11079	1.3
151.14815	8.3
161.13232	11.3
163.06004	20.5
163.14783	7.9
165.12740	2.5
165.16357	6.0
169.15826	1.5
175.14819	11.0
177.16356	9.0
179.14284	3.0
179.17937	8.1
181.15871	2.5
189.16373	6.1
191.17947	2.1
193.15866	2.3
193.19418	3.0
195.17377	2.0
203.17900	3.6
207.17427	2.2
231.21080	2.5
259.24207	54.0
260.24615	2.4
262.81512	1.5
277.25244	89.6
278.25452	3.6
279.26932	1.7
351.28903	69.0
352.29260	3.8
369.30042	4.5
513.34222	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	710.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91595	1.1
55.05508	21.2
57.03427	6.8
57.07072	9.2
61.02920	32.6
62.44661	1.2
65.03925	2.0
67.05501	64.5
68.66545	1.2
69.03432	3.4
69.07059	34.9
69.35644	5.0
71.04990	3.0
71.08640	5.0
73.02921	11.7
75.04465	1.3
79.05480	21.2
80.48541	1.2
81.03417	2.1
81.07050	100.0
83.04964	2.0
83.08613	24.2
85.02901	36.7
85.06548	3.4
85.10182	2.8
87.04489	1.8
88.01663	1.2
91.03948	29.6
91.05474	15.5
93.07030	25.2
95.04964	2.9
95.08598	94.5
97.02888	18.2
97.06509	5.8
97.10166	18.6
99.04455	2.2
99.08083	6.0
101.60943	1.3
103.03905	1.4
105.07015	12.9
107.08575	17.6
109.10143	43.6
111.08083	4.8
111.11714	5.1
113.09626	1.4
115.03967	1.6
119.08577	9.7
120.35677	1.2
121.10144	21.8
123.11691	20.5
125.09632	3.0
125.13265	1.9
127.03907	11.8
133.10141	13.5
135.11665	14.6
137.13237	13.0
139.11177	3.5
145.04938	15.1
147.11667	13.7
149.13190	6.4
151.11205	2.4
151.14774	6.4
153.12724	2.4
155.14322	1.4
161.13252	12.1
163.06007	27.2
163.14807	9.4
165.12761	2.4
165.16403	6.9
169.15907	1.8
169.58321	1.2
175.14774	10.8
177.16393	7.8
179.14325	3.8
179.17900	9.9
181.15878	1.4
183.54382	1.2
189.16365	8.0
193.15884	2.7
193.19499	5.8
203.18001	3.4
207.17470	2.6
217.19630	1.3
221.19020	2.7
231.21107	1.2
259.24191	57.1
260.24448	1.4
277.25244	99.0
278.25531	3.1
279.26852	1.8
295.26193	2.1
328.15753	1.4
331.81812	1.3
351.24487	2.5
351.28879	49.0
352.29141	2.3
369.30051	4.1
457.39078	1.3
645.00433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
57.03426	1.6
60.52338	0.3
67.01849	1.1
69.03425	1.8
69.40462	1.2
71.04988	9.7
75.04440	0.5
77.52784	0.3
79.05482	0.6
81.03410	4.2
83.04958	0.8
85.02901	10.5
87.00822	0.7
87.04414	0.3
89.03906	4.4
90.77623	0.2
91.05465	1.3
93.07027	0.4
95.04935	0.6
97.02880	5.2
99.04468	1.2
100.11230	0.8
107.04945	1.6
109.02868	6.0
111.04449	0.7
117.03364	5.4
119.04938	2.0
121.06487	2.8
123.04467	0.3
124.41035	0.2
125.02308	0.4
127.03912	6.1
129.05476	2.1
135.04405	14.1
145.02835	10.8
146.08080	0.5
147.04393	11.6
147.06410	0.5
163.03888	100.0
164.04221	1.7
164.09233	0.9
165.05452	0.9
177.05489	0.3
181.04938	6.3
182.15359	0.3
189.05457	0.3
210.14853	0.4
211.66748	0.3
213.03885	0.8
219.80501	0.3
227.07080	0.7
229.08484	0.3
231.04938	0.5
245.08041	0.9
247.06070	0.4
271.06024	0.7
289.07095	0.4
292.45264	0.3
297.42242	0.3
301.10654	1.1
307.08109	1.0
309.09540	0.4
323.07639	0.3
389.74527	0.3
393.07928	0.7
395.09729	2.5
411.09174	30.5
412.09378	1.0
557.14850	1.0
638.84973	0.3
680.50879	0.6
710.07776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07138	0.6
50.50043	0.6
51.04944	0.7
55.05506	1.0
55.63700	0.7
65.03938	5.3
67.05512	3.5
69.03411	2.1
69.73959	1.5
69.74326	1.4
70.06584	1.2
79.05493	1.1
81.03402	1.9
81.07050	2.0
83.04964	2.8
85.02905	3.7
87.00814	0.9
89.03896	0.9
91.04939	1.4
91.05476	19.2
93.03414	4.2
93.07030	1.3
95.04982	1.5
95.08599	0.8
97.02887	82.2
98.03223	0.8
98.23418	1.0
99.04440	0.7
105.01871	0.9
105.07033	1.4
109.02839	1.3
111.04433	1.6
117.03355	0.8
119.04937	26.8
119.08551	1.4
121.02862	2.6
121.10143	0.9
123.04429	0.8
125.02337	1.2
127.03889	1.2
128.06308	0.8
129.06996	1.3
131.08586	1.8
135.04398	1.0
137.05936	1.1
138.01407	0.7
140.04671	1.1
141.06950	2.2
144.05661	1.8
145.02824	0.7
147.04410	23.7
147.05579	1.4
149.02333	8.0
154.06192	2.2
155.07028	2.7
157.03955	3.2
159.08017	2.6
164.04637	0.9
167.03392	38.5
169.06409	1.7
171.06532	0.8
175.03897	41.8
176.04317	1.1
177.05498	3.7
179.07030	1.8
181.04890	4.7
183.04343	0.8
185.05865	0.9
187.07533	3.9
197.05952	1.4
207.06508	100.0
208.06812	3.0
214.06181	0.9
215.07021	2.1
218.09299	1.1
219.06549	2.2
219.10202	2.3
226.44791	0.8
229.08562	4.6
243.06703	1.2
247.09692	3.1
257.08130	3.8
257.10406	0.8
267.15906	1.0
275.09125	17.7
303.08548	4.9
321.09683	23.1
321.13516	1.1
339.10608	4.7
587.15942	4.8
711.42456	6.7
712.43109	8.4
713.32642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05497	0.7
57.03437	2.2
59.04983	0.4
61.02922	1.0
63.02388	0.3
63.92391	0.2
69.03426	3.4
70.62840	0.3
71.01341	0.3
71.04988	4.1
73.02912	7.9
75.04464	0.6
79.05482	0.5
81.03419	1.3
83.04973	3.0
83.99031	0.2
85.02898	8.0
85.03413	0.4
87.04456	0.6
89.03892	1.8
90.92319	0.2
97.02881	5.0
99.04453	0.8
103.03948	0.4
103.70588	0.2
107.04948	0.8
109.02844	0.4
111.04421	1.9
115.03920	1.9
116.01386	0.2
117.03363	2.9
127.03896	1.0
129.05464	2.6
133.04962	1.2
135.04411	7.4
139.03891	0.3
145.02843	7.9
147.06502	1.5
157.04909	0.2
163.03888	100.0
164.04219	1.6
169.04869	0.5
171.06483	0.7
177.05409	0.2
181.04935	1.9
187.06036	0.4
189.07533	0.3
194.88828	0.2
225.07555	0.8
237.07549	0.4
243.08684	0.4
279.10629	0.3
288.69858	0.2
291.08661	0.3
295.08087	0.4
307.08038	2.5
325.09158	18.9
326.09521	0.6
367.10266	2.6
399.12787	0.5
431.84683	0.3
434.15329	0.3
471.15366	0.4
485.62399	0.2
613.70746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.6
57.03435	2.2
61.02917	0.7
65.03952	0.8
67.05502	1.9
69.03426	4.1
69.09961	0.3
71.01357	0.6
71.04993	0.6
73.88002	0.4
74.31684	0.3
82.71373	0.4
83.04974	44.5
85.02896	100.0
86.03223	0.6
87.04472	1.2
89.03897	1.0
97.02890	1.0
101.05999	0.6
111.04432	25.4
112.04799	0.5
117.03374	3.6
127.03912	6.4
129.05467	14.5
138.47305	0.4
145.02829	15.6
146.03149	0.5
149.05988	1.6
151.07526	0.5
156.41647	0.4
163.03874	0.5
171.06509	69.8
172.06841	1.0
177.05453	51.5
178.05832	1.1
179.06978	0.5
189.07559	36.3
195.06526	0.9
237.29167	0.4
243.09595	0.4
321.09634	0.7
339.10712	10.5
339.14694	0.8
340.11267	0.5
365.12354	1.1
509.16339	0.9
527.17236	0.5
583.34918	0.4
702.74109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.53597	0.2
55.01873	0.3
55.05511	2.4
57.03435	1.8
61.02924	1.7
63.02389	0.4
67.05508	0.3
69.03426	2.1
71.01357	0.3
71.04990	29.2
72.05325	0.3
75.04475	2.3
81.03425	0.9
83.04980	16.4
84.05314	0.2
85.02901	10.8
87.04460	4.1
89.03918	2.3
91.05491	0.5
95.04940	0.2
97.02885	4.8
98.22657	0.7
99.04469	1.3
101.02361	0.3
101.05999	0.3
110.22432	0.2
111.04440	32.0
112.04793	0.2
112.11135	0.2
113.02433	0.3
113.06004	12.6
115.03932	2.3
117.03372	8.7
117.05487	6.7
118.03741	0.2
125.06009	0.4
127.03925	0.9
129.05475	45.5
130.05772	0.5
134.03568	0.5
135.04396	0.9
137.06012	0.6
145.02840	34.6
146.03220	0.6
147.04424	0.4
149.05956	3.8
151.07516	0.7
153.05492	1.0
163.03967	0.6
171.06520	16.4
172.06908	0.4
177.05463	100.0
178.05814	2.5
179.07010	0.3
181.08533	0.2
186.05560	0.6
189.07571	61.6
190.07886	1.3
191.89618	0.2
195.06517	1.8
243.10051	0.3
259.09702	0.7
261.11255	0.3
277.10809	0.5
279.08881	0.3
287.09134	0.7
305.10284	0.6
321.09637	1.0
339.10721	18.8
340.10999	1.0
365.12256	0.8
527.17352	0.6
573.25018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01862	0.6
55.05497	0.4
55.95517	0.2
56.79216	0.2
57.03438	2.0
59.04998	0.2
61.02924	1.2
65.03933	0.6
69.03423	3.2
71.00229	0.4
71.01345	0.6
71.04626	0.4
71.04989	4.0
73.02911	7.5
75.04499	0.2
75.67605	0.2
81.03403	0.8
83.04975	2.5
85.02900	8.0
85.85527	0.2
87.04446	0.4
91.05476	4.0
92.16769	0.2
93.23873	0.2
97.02879	5.1
97.03489	0.3
99.04424	0.6
103.03938	0.3
107.04992	0.3
111.04446	1.7
115.03909	1.8
119.04933	9.5
123.04432	0.2
127.03875	0.6
129.05470	2.4
133.04929	1.1
133.22113	0.2
139.03900	0.3
147.04395	100.0
147.64255	0.2
148.04726	1.7
164.09276	0.2
165.05472	2.9
169.05048	0.3
195.03073	0.2
210.12328	0.2
225.07523	0.7
243.08649	0.4
291.08548	0.6
293.10083	0.5
309.09653	20.6
310.10071	0.6
325.91214	0.2
371.39523	0.2
431.82114	0.2
503.24402	0.2
713.37128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69283	1.5
53.03938	2.0
55.05507	5.8
57.03416	4.0
61.02912	5.2
65.03929	1.9
67.05502	12.7
69.03424	8.6
69.07071	6.8
69.77539	4.7
71.04980	2.1
73.02902	1.5
74.83769	1.3
79.05489	6.8
81.03416	4.0
81.07053	26.5
83.04999	1.7
83.08620	2.4
85.02897	32.1
85.55160	1.6
86.03519	1.4
91.05462	8.7
93.07039	20.6
95.04978	3.9
95.08601	39.5
97.02907	10.3
97.06522	5.9
97.10158	1.7
98.23407	1.7
99.04457	3.0
100.96557	1.4
105.07021	34.5
107.08590	30.7
109.02882	3.4
109.10154	20.3
111.08089	7.0
117.07016	3.8
119.05025	1.4
119.08575	37.5
121.06496	10.0
121.10146	25.0
123.08057	11.8
123.11715	7.0
127.03902	6.9
129.06978	5.7
131.08559	33.7
133.10120	30.1
135.08012	2.7
135.11705	14.8
137.09622	4.4
141.06934	3.0
142.07809	3.2
143.08560	15.2
145.04955	6.7
145.10120	42.0
145.36504	1.8
147.08072	5.5
147.11662	24.7
149.05994	4.8
149.09651	5.0
149.13216	11.2
150.83481	1.6
154.07732	1.9
155.08536	8.0
155.61081	1.7
156.09354	6.7
157.10106	21.9
158.10909	1.7
159.08058	3.9
159.10393	2.7
159.11691	46.5
161.09662	7.3
161.13255	22.1
162.07529	2.5
163.03844	1.9
163.14804	16.2
169.10121	51.9
171.11681	33.5
172.12334	2.2
173.09616	5.1
173.13239	47.2
175.11150	9.5
175.14801	25.9
177.16373	6.3
180.08614	15.9
181.10106	5.3
183.11623	8.0
185.09669	4.3
185.13245	18.1
187.11201	6.5
187.14816	39.0
188.15314	2.2
189.12749	8.8
189.16367	18.0
191.10713	2.6
191.14279	20.3
193.12158	2.0
195.11678	6.7
197.09697	2.3
197.13254	7.2
199.11157	3.4
199.14799	9.6
201.09248	2.9
201.12814	4.3
201.16399	19.2
203.10736	3.8
203.14256	6.6
203.17963	7.2
205.12267	3.0
205.15883	3.0
209.13228	5.1
211.14832	6.8
213.09090	5.0
213.12680	2.5
213.16411	3.4
215.10716	3.4
215.14261	5.4
215.17953	3.0
217.12247	6.2
217.15884	9.6
219.13788	6.3
219.17458	2.7
221.13367	2.8
221.15364	6.1
223.14751	4.4
225.16444	2.8
229.12302	2.6
229.15930	6.2
231.10236	3.4
231.13797	4.4
231.17358	2.3
233.15376	6.0
243.13814	1.7
243.66672	2.1
245.11627	3.0
247.17004	3.9
251.17976	2.6
257.11719	3.3
257.15424	3.5
259.13287	4.9
261.16412	1.9
263.12775	3.7
263.17953	1.7
265.09174	1.7
265.19550	1.8
271.13220	3.1
275.12857	2.4
277.14203	3.7
289.14316	3.4
307.15472	3.8
323.20056	2.2
325.18204	1.9
355.19113	2.3
369.20630	8.5
377.28348	8.1
379.30161	2.1
381.20377	3.0
387.22113	2.3
387.26706	6.2
405.27817	15.5
407.29370	5.2
423.29391	13.5
433.27209	15.6
441.30161	12.6
451.28427	56.1
452.28668	2.3
461.27029	3.5
469.29477	100.0
470.29666	5.3
479.27878	40.1
480.27863	3.4
487.30530	73.0
488.30972	5.8
489.63708	2.1
497.28912	34.2
499.47269	1.6
515.29999	21.9
516.30090	2.1
533.30823	2.0
702.63916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01869	5.8
55.05502	27.8
57.03437	25.5
61.02917	5.0
67.05501	93.3
69.07063	24.9
71.04990	8.2
74.60638	3.0
77.62228	2.6
79.05491	67.6
81.03400	3.0
81.06567	3.6
81.07052	66.5
83.04972	19.3
83.08622	9.4
85.02912	6.5
85.06516	4.8
90.93002	2.7
91.05480	32.6
93.07038	93.6
95.04966	8.5
95.08602	32.5
96.26028	2.7
97.06522	17.3
97.10175	11.8
105.07034	17.5
107.08589	50.4
109.10148	16.5
111.08042	3.4
116.00552	2.9
117.07018	8.0
119.08565	15.3
120.72896	2.7
121.10149	19.2
123.08050	3.4
123.11689	3.8
131.08562	7.8
133.10083	12.6
135.11678	56.6
135.12651	4.0
137.09607	3.2
145.10120	14.3
149.13318	3.7
153.12750	8.5
159.08986	2.4
159.11702	6.2
163.11198	8.2
173.13306	3.6
175.14886	4.2
181.12201	14.9
234.44232	3.1
253.14201	5.1
255.15904	100.0
261.22101	11.7
335.25766	63.8
336.26236	5.7
375.32108	3.1
515.37256	89.5
516.37457	4.2
533.38434	4.0
548.58868	3.1
568.20978	2.6
582.05908	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	713.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
69.25778	3.5
83.04981	10.5
105.07025	1.4
115.05445	10.5
121.06325	0.7
121.22173	0.6
133.06485	1.0
143.06027	5.7
147.28986	0.6
187.03896	100.0
188.04272	2.2
213.09103	1.9
217.36368	0.8
225.09123	2.7
229.12193	2.3
234.69292	0.6
241.12250	6.3
242.12651	0.9
243.10159	23.9
243.12674	1.3
327.17966	0.7
453.20490	1.9
471.21658	4.3
483.21664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
145.78767	1.7
212.41058	1.9
214.80318	1.6
317.06281	2.2
364.73663	1.8
401.15549	2.3
429.15027	2.6
441.18915	4.6
464.20514	2.3
466.33832	2.0
485.52164	1.9
500.19781	4.6
501.17422	3.1
539.75317	2.1
557.23499	7.5
569.27234	3.0
584.29553	3.1
612.29034	23.0
613.29089	2.9
641.29327	100.0
642.29388	7.7
644.27698	3.0
713.31384	42.4
714.31757	3.3
724.27728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
56.16447	0.7
59.07614	0.6
61.02921	1.4
61.76389	0.6
67.05491	1.9
67.05858	0.6
69.86843	2.0
69.87215	1.2
71.05007	0.6
73.02910	1.0
81.03403	0.7
81.07068	1.9
82.40456	0.7
83.08628	1.0
84.01900	0.7
85.02856	1.4
93.07018	1.2
95.04972	1.0
95.08609	0.7
97.02885	1.0
98.22716	1.3
103.84237	0.7
109.10092	0.7
127.03891	0.9
133.10164	0.9
203.05301	2.3
212.87683	0.7
223.59375	0.6
243.08417	0.9
259.07941	2.3
267.08997	1.6
285.10196	1.9
303.11072	0.7
347.09579	2.1
365.06509	0.7
365.10483	3.8
389.22903	4.3
421.12933	1.9
453.20505	0.7
467.31357	0.8
469.20389	2.0
551.28210	21.6
552.28577	2.0
579.81299	0.8
583.30872	1.3
615.28131	1.3
641.30701	1.0
713.33533	100.0
714.33783	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	714.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
55.05514	0.6
57.03435	2.4
58.94751	0.5
59.05001	0.5
61.02918	1.2
62.22933	0.5
67.24725	0.4
69.03425	3.4
71.01345	1.1
71.04991	4.2
73.02540	0.8
73.02917	10.3
75.04483	0.5
75.45177	0.4
76.48868	0.5
81.04537	14.9
83.04969	4.2
85.02902	10.5
87.04464	0.6
94.04063	0.6
95.04958	0.7
97.02898	3.6
99.04425	0.7
111.04449	2.8
115.03939	2.3
127.03922	0.8
129.05513	2.3
133.05037	1.4
133.06367	0.5
135.04399	0.7
145.02843	0.8
146.06042	0.6
147.06512	1.3
149.06015	0.4
157.05005	0.5
163.02599	0.9
163.03891	8.2
164.04210	2.2
169.07607	0.9
171.06462	0.5
171.07851	0.6
172.08681	1.0
174.05553	0.7
176.07082	1.7
184.08690	0.6
185.09419	0.7
186.10162	0.9
194.08144	5.0
196.08751	2.0
199.07387	0.5
200.08168	1.7
206.08173	4.8
212.08311	1.2
213.08990	1.6
214.09740	4.9
224.08191	3.7
225.09174	2.1
226.06079	7.3
226.09641	0.9
228.07721	1.1
228.11319	1.2
229.08313	3.0
232.10783	0.7
238.09755	0.8
240.07610	3.4
241.08426	15.5
242.09192	8.0
243.09984	0.5
244.10817	2.1
256.10800	30.3
257.11011	0.7
258.08746	0.5
261.09717	0.6
271.64169	0.4
274.11847	100.0
275.12216	3.4
325.09088	1.5
326.09583	0.5
406.15829	0.6
420.17529	1.1
436.17130	21.0
437.17419	0.8
478.18085	0.6
552.21906	1.7
568.21265	0.8
582.22943	4.5
653.75647	0.4
714.27496	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	714.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.05495	27.8
57.03436	20.8
66.36284	6.1
67.05501	68.1
69.07059	27.5
69.38525	32.6
69.71441	6.2
71.04951	6.6
79.05479	45.7
80.38395	6.1
81.07046	100.0
83.04961	8.1
83.08598	18.7
91.05471	48.7
93.07039	53.3
95.04992	11.3
95.08614	63.9
97.06504	8.5
105.07028	42.9
107.08584	25.2
109.06499	8.1
109.10144	26.5
111.08083	10.9
117.07030	13.1
119.08560	50.0
121.10131	30.4
123.08052	8.8
131.08530	15.1
133.10132	26.8
135.11699	17.6
143.08551	7.0
145.10104	26.2
147.11681	29.8
149.13243	9.8
154.52432	6.9
157.10147	11.3
159.11670	21.1
161.13275	14.2
165.12744	14.8
173.13202	8.5
173.20470	6.9
175.14786	8.2
239.16365	20.7
259.20572	7.8
263.04147	7.2
285.08005	8.2
335.25644	29.2
385.98438	7.8
425.34204	15.5
443.34958	7.9
493.92017	7.0
499.37256	32.9
517.38861	74.9
714.40747	22.9
715.41302	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	714.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.6
55.05509	30.0
57.03424	21.1
60.31911	5.2
67.05500	68.0
69.07058	17.4
71.04997	6.9
79.05483	45.9
81.07055	100.0
83.08566	11.0
85.02910	5.1
85.06541	6.6
91.05470	42.8
93.07048	56.7
95.04982	9.9
95.08605	61.8
97.06526	12.7
97.10151	6.8
98.23459	11.4
99.70110	5.4
105.07029	61.1
107.08587	35.4
109.10154	36.1
115.83311	5.6
116.49223	5.5
117.07019	8.4
119.08569	45.1
121.10143	29.0
123.11689	10.7
131.08557	21.5
133.10103	25.2
135.11679	14.9
145.10130	15.6
147.11653	30.6
149.13248	11.5
157.10083	6.7
159.11656	19.3
161.13301	10.6
170.10403	5.9
171.11626	9.0
173.13213	12.3
183.11607	8.9
184.07300	13.3
185.13231	9.0
187.14832	6.7
199.14761	6.9
229.14421	12.2
239.16347	26.4
335.25729	40.7
337.86624	6.9
425.34021	12.3
499.37759	30.9
506.38000	6.4
517.38800	83.2
675.26013	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	715.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76288	2.5
70.62968	3.5
70.63284	3.4
71.72903	2.9
80.42348	2.8
86.96729	2.8
127.03924	3.6
198.20403	2.6
244.49611	2.6
326.45154	2.5
409.15042	9.9
449.14667	5.8
467.15549	53.4
468.15881	4.9
509.15723	4.0
613.21307	5.6
617.60443	3.1
629.20905	3.3
665.95563	2.6
671.21893	72.3
672.22284	5.6
715.20825	100.0
715.49292	2.9
716.21332	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	715.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
103.08508	2.0
107.06538	2.6
108.17829	2.2
119.01907	2.2
121.06498	2.3
131.04909	8.3
136.85023	2.0
149.05981	4.9
152.22653	2.1
161.02985	2.0
163.03877	5.8
203.05299	4.2
225.06175	2.5
242.97655	2.1
249.06078	5.9
267.07059	5.4
369.11554	100.0
370.12042	2.8
430.37408	2.1
537.93250	2.1
715.21362	2.5
737.23981	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	715.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05565	0.2
58.41352	0.3
74.02429	0.5
81.07025	0.3
85.02895	0.7
91.03922	0.3
91.05476	0.9
95.08591	0.8
97.02896	0.3
98.73605	0.3
105.06994	0.4
111.57556	0.4
115.05450	1.2
117.05751	0.7
117.07006	1.1
118.06535	16.4
123.08064	1.5
130.06541	1.8
132.08095	5.4
133.06468	1.1
142.06520	1.6
143.07278	2.2
144.04436	0.5
144.08076	12.1
145.04897	0.5
146.05998	63.0
147.06319	1.0
151.07550	1.2
159.09161	6.7
160.07544	0.9
163.05995	1.1
164.33885	0.3
169.08572	0.9
170.05995	4.6
188.07053	100.0
189.07414	2.5
205.09714	51.8
206.09982	1.1
240.81430	0.3
369.11459	1.8
620.23041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3298
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
68.07310	0.4
70.15872	1.1
77.93428	0.5
92.28418	0.4
129.44266	0.5
257.62921	0.4
264.53650	0.5
321.04800	0.7
655.22125	0.8
656.26990	0.5
660.00208	0.5
715.32971	100.0
716.33344	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	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	0.7
67.05509	1.1
69.03419	0.6
70.06582	0.4
72.56728	0.3
73.02890	0.4
79.05464	0.6
81.07070	0.6
82.07431	0.3
83.01122	0.3
84.01863	0.4
85.02906	0.3
93.07051	0.5
95.01093	0.4
97.02859	0.6
98.23479	1.1
107.80473	0.3
109.10196	0.6
133.10216	0.4
157.04790	0.4
168.04002	0.3
169.04796	0.3
169.90846	0.3
175.52269	0.3
185.04199	2.4
194.66646	0.3
201.03661	2.1
203.05264	2.3
228.91805	0.5
243.08565	0.4
245.06313	0.5
257.06332	0.7
259.07950	2.1
275.07416	0.8
317.08685	1.2
319.09775	1.7
329.08585	0.4
331.09836	2.2
347.09454	4.9
363.09250	1.9
365.10547	4.3
373.14771	0.7
387.16431	0.6
390.10382	0.3
390.98251	0.5
391.24527	0.5
401.17868	0.6
413.17712	0.7
415.19211	0.7
421.13263	2.3
437.12671	0.7
453.21014	0.5
455.22681	0.5
483.22083	1.4
485.23993	0.4
493.15363	4.3
507.16919	0.8
521.18695	0.9
535.19672	1.0
535.28369	0.6
549.21265	0.5
553.29785	10.8
563.22968	0.9
577.24530	1.9
603.26636	0.6
617.28040	0.7
625.31970	4.5
643.32825	0.4
645.26746	1.1
697.34058	0.4
715.35028	100.0
716.35358	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	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26824	0.2
67.05499	0.3
70.07380	0.2
81.90115	0.2
84.01884	0.2
85.02899	0.3
101.62491	0.2
112.44751	0.2
157.04744	0.5
185.04210	2.6
192.42941	0.2
201.03717	1.2
203.05327	0.8
234.88417	0.2
245.06291	0.2
259.07986	0.8
275.07489	0.9
285.09607	0.3
287.07474	0.4
301.09055	0.9
315.10641	0.3
317.08502	0.7
319.10162	0.4
329.08493	0.2
331.09970	3.0
331.13147	0.3
332.10522	0.2
345.11694	0.5
347.09512	4.3
359.13123	0.4
363.08994	4.1
373.14636	0.8
386.66888	0.2
391.24573	0.5
401.18146	0.4
415.19281	0.6
421.13153	0.7
437.12598	1.6
441.20651	0.3
455.22491	0.5
463.14508	0.7
483.21939	1.9
493.15240	5.5
504.97202	0.3
507.16788	1.1
521.18506	1.0
535.20026	1.0
535.28125	0.3
549.21857	0.4
551.42767	0.3
553.29791	10.1
553.82129	0.3
554.29962	0.5
563.23169	0.9
577.24683	1.7
603.25903	0.6
617.27783	0.9
625.32159	0.6
643.32770	0.4
645.27026	1.1
679.30035	0.3
697.34351	0.5
715.35065	100.0
716.35547	6.8
716.48309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03692	0.2
67.03059	0.2
70.29707	0.5
75.30592	0.2
81.07040	0.4
87.73431	0.2
118.96263	0.2
182.52919	0.2
185.04288	0.7
203.05237	2.0
259.07816	1.8
299.11823	0.2
347.09357	1.5
365.10477	2.9
411.44083	0.2
421.13312	1.3
553.33417	21.5
554.33673	1.2
715.38666	100.0
716.39008	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	715.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26101	1.3
73.43529	0.2
117.31997	0.2
129.23608	0.2
140.23262	0.2
174.98811	0.2
185.04289	0.8
203.05290	0.3
259.07944	0.6
347.09460	1.1
391.28195	0.3
553.33435	19.4
554.33667	1.2
715.38672	100.0
716.39001	7.2
716.48163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
57.03421	2.7
61.02923	7.2
67.05499	7.5
69.03429	2.9
69.07053	1.1
69.39145	1.5
69.39552	3.2
73.02908	4.0
79.05495	4.3
81.03425	1.7
81.07047	6.6
85.02899	5.0
91.03962	3.1
91.05471	7.4
93.07055	4.4
95.04980	1.1
95.08603	4.1
97.02873	5.0
99.04459	1.4
101.02376	1.8
105.07016	4.1
107.08606	1.9
109.02921	0.9
109.10168	0.9
117.07028	0.9
119.08573	1.2
121.10160	1.1
127.03917	1.3
131.08574	1.4
133.10130	6.3
135.08041	0.9
135.11650	1.0
163.94136	0.8
184.07404	0.9
185.04230	1.3
203.98149	0.9
219.09874	4.2
236.12909	0.9
243.08366	2.1
256.59973	1.1
303.07043	1.4
390.77533	0.9
437.17941	3.8
519.29291	9.8
715.40204	100.0
716.40613	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	716.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01864	2.4
55.05503	4.4
56.04991	0.8
57.03428	0.8
58.99585	2.1
61.53261	0.9
62.76196	0.8
67.05501	9.0
68.05010	0.9
69.07065	4.7
69.61653	1.4
69.62025	1.2
73.01127	0.9
74.00651	3.5
76.02213	1.8
76.03996	0.7
79.05499	11.0
80.05014	2.2
81.03400	1.3
81.07049	20.6
82.49445	0.8
83.04962	1.5
83.06090	1.4
83.08614	3.5
84.04481	3.9
85.01121	1.4
86.00629	1.4
91.05476	9.8
93.07034	12.4
94.06557	1.6
95.04942	3.5
95.08601	7.9
97.01104	2.1
97.02861	0.7
97.06509	1.5
97.10177	0.8
98.22726	1.2
99.01417	4.2
99.05594	0.9
100.02184	9.0
105.07017	9.7
106.06554	2.1
107.04968	2.2
107.06117	0.9
107.08586	8.3
108.08125	1.4
109.06496	5.0
109.10133	2.2
111.02682	1.0
111.08059	1.1
112.02174	8.7
113.02971	1.8
114.03736	8.9
116.01685	2.3
117.07027	2.9
119.08556	6.1
120.08108	1.6
121.06502	2.2
121.10178	4.4
122.09708	0.9
123.02650	1.4
123.08057	1.2
125.04227	1.4
126.03711	2.3
129.06786	1.3
130.04994	2.2
131.08528	5.5
133.10143	4.4
134.09630	1.1
135.11719	1.3
137.04105	1.0
138.03734	3.3
139.03265	0.7
139.05759	1.2
140.05281	7.4
142.03294	0.8
143.08545	0.9
144.01181	0.9
145.02893	1.1
145.10072	4.9
147.11632	4.5
149.09615	1.7
151.11142	1.6
152.05270	2.7
154.06766	3.5
157.10129	2.2
159.11682	2.1
161.13295	1.1
163.11284	1.9
163.14813	1.7
165.12770	1.4
166.06885	2.0
168.08414	19.0
169.06023	0.8
171.11687	1.5
173.13277	4.8
175.11186	0.8
175.14833	1.1
179.04890	1.6
183.11748	0.7
185.03835	2.4
187.05354	1.2
189.03310	0.9
191.14255	3.9
202.04100	1.9
215.04674	0.9
216.05659	1.7
221.09995	0.9
229.19431	0.8
231.04338	4.7
233.05914	1.3
236.14696	3.0
241.06503	2.0
247.20509	0.9
255.08051	3.2
261.43832	0.8
264.14136	15.0
265.14523	1.3
269.09689	1.6
270.10236	4.9
271.11060	1.5
275.20050	11.1
282.15164	16.3
293.21487	1.0
307.17279	1.4
308.09134	1.4
324.20187	0.8
325.16312	1.7
333.18860	3.3
350.21384	7.0
384.16971	1.5
385.17834	1.0
387.05206	0.8
398.16272	17.6
409.22366	1.5
435.22888	1.0
453.24234	4.3
466.22342	2.1
479.25595	1.3
481.18307	0.9
484.23538	12.5
500.18259	10.5
501.18945	3.2
507.24835	0.9
569.25214	100.0
570.25531	5.8
582.28229	2.0
593.20990	1.1
641.27216	5.7
712.25275	0.7
716.31653	7.8
741.69220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01854	4.6
55.05508	20.8
57.03434	10.1
57.07077	1.3
59.04996	4.0
59.77349	1.1
61.02916	1.9
65.03934	2.8
67.05502	98.6
69.03425	5.3
69.07068	24.8
70.06616	1.2
71.04977	4.6
73.02870	1.5
79.05493	17.5
81.03414	4.6
81.07061	27.1
83.04977	4.1
83.08614	11.7
85.02902	3.2
85.06536	3.2
91.05479	18.9
93.07041	15.9
95.04967	8.2
95.08606	12.3
96.25671	1.1
97.02882	8.2
97.06501	3.6
97.10173	10.4
102.33961	1.1
105.07033	11.5
107.04940	5.1
107.08591	11.6
109.06468	2.1
109.10152	68.2
111.08065	4.1
111.09742	1.2
117.07023	6.0
119.08569	15.1
121.06520	2.7
121.10130	4.6
123.08009	2.2
125.09623	7.8
129.06989	2.5
131.08566	5.4
133.06462	4.1
133.10114	5.2
135.07996	1.9
135.11690	2.1
137.09613	4.6
143.08569	2.4
145.10091	4.1
147.08028	5.2
147.11652	2.3
149.09586	1.4
149.13309	1.5
151.11275	1.1
155.10666	4.4
157.10121	1.8
159.11684	2.3
161.09642	1.7
171.11565	1.3
173.11732	16.2
175.11179	1.8
177.12744	1.5
189.11186	2.2
205.12251	1.3
223.13280	15.8
227.12715	3.3
229.14337	78.3
245.19035	1.8
249.14917	2.7
253.14320	3.7
273.18524	12.7
281.34714	1.3
288.67520	1.2
291.19528	89.1
292.19794	2.7
347.22122	2.4
365.18564	2.2
365.23215	40.8
366.23468	1.7
417.29556	1.2
421.25732	2.0
425.25043	1.4
501.31711	1.9
519.33130	100.0
520.33405	4.1
574.92029	1.4
716.32947	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	717.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04982	1.0
71.42255	0.9
85.02910	2.8
89.28833	0.8
90.59499	1.0
93.31946	1.1
93.83707	0.9
105.01979	1.2
114.76205	1.0
142.03249	1.4
151.07684	1.1
182.06429	1.6
229.12254	2.5
332.60522	1.1
477.17194	1.2
529.16699	3.3
550.64301	1.0
657.21259	1.1
717.23621	100.0
718.23804	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	717.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45378	0.2
85.02902	0.5
91.05480	1.2
119.04957	0.5
145.02829	1.4
150.24295	0.3
151.03751	0.4
151.07529	2.0
165.09068	0.6
177.05467	1.9
196.76892	0.3
229.12378	0.3
241.03903	0.3
261.07382	0.3
297.08289	0.3
335.11017	0.9
428.09741	0.3
513.22693	0.3
523.17767	0.7
529.16705	3.8
530.17273	0.3
657.21033	0.4
717.23535	100.0
718.23816	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	717.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11831	1.2
52.46731	1.2
54.83621	1.2
67.05499	2.2
69.13402	3.6
69.13803	5.8
80.05009	1.9
91.05473	1.8
93.05824	2.1
94.06561	21.2
108.08097	1.7
116.04980	3.8
117.03390	1.3
117.05746	1.6
120.04523	1.5
120.08091	2.1
122.06012	95.6
123.06351	1.6
134.05991	2.7
136.07594	1.6
140.07048	3.8
144.04417	5.7
144.60139	1.4
145.02800	2.1
145.05222	2.6
146.05991	17.7
148.07558	2.8
152.07088	3.9
162.04190	1.3
162.05482	3.2
163.06227	2.0
169.58698	1.3
169.70367	1.7
172.03920	30.0
173.04709	4.7
174.05472	17.6
176.07056	9.8
177.05363	2.2
181.04939	2.0
190.04965	5.7
191.05766	5.1
192.80391	1.5
197.10658	4.4
199.12250	5.8
204.06537	50.2
206.08095	7.7
209.10765	1.9
211.08607	3.2
212.09424	3.3
213.10144	3.0
223.08650	1.8
224.09445	2.0
225.10234	8.9
226.07066	16.9
226.10844	2.2
227.11734	26.3
236.09189	2.3
237.10297	2.9
238.11063	3.3
239.11737	6.3
241.09618	2.4
249.10268	2.8
250.10873	2.9
251.11732	4.4
253.09653	4.7
263.07999	2.8
263.11697	2.3
264.08887	1.8
265.09686	3.7
265.13449	1.7
267.11319	7.8
269.12793	18.5
271.10770	7.0
277.09711	3.3
279.11243	5.4
283.10712	11.3
284.11496	10.1
285.12390	3.7
287.10672	2.5
287.13852	43.9
288.14127	1.9
289.13440	1.7
291.11337	2.0
295.10684	3.7
297.12256	4.3
298.13260	2.0
301.12057	7.2
302.13013	2.6
309.12073	1.9
312.15213	1.5
313.11807	4.0
314.12939	3.2
315.13660	2.2
316.14441	10.1
323.10339	2.1
326.16666	2.3
327.13339	7.4
328.10806	2.2
328.14587	4.8
329.11563	4.7
329.15247	5.2
330.12399	3.3
330.16055	9.9
331.16837	11.8
332.17313	2.5
342.12411	10.1
342.16068	2.2
343.13239	6.1
344.13910	2.8
344.17545	10.7
354.15881	2.7
355.13620	4.3
356.13989	8.2
357.14847	4.8
358.15396	17.0
365.11099	2.1
367.13208	3.0
370.11465	2.5
370.15613	5.5
371.12521	4.4
371.16675	1.8
372.17227	8.6
373.13809	3.7
376.12381	1.8
380.13773	2.1
382.11780	5.7
383.12561	4.7
384.13257	17.2
384.17007	1.7
385.14139	6.1
386.14661	11.1
386.18796	3.4
388.16434	2.9
390.18118	9.5
398.14819	22.5
399.11670	34.4
399.15814	30.4
400.16507	52.2
401.16904	3.2
402.14453	4.5
403.19064	2.9
412.16782	3.0
414.17923	9.8
415.18832	2.9
416.15875	4.8
417.12100	1.8
417.17102	14.3
418.17566	13.7
430.17651	2.7
431.14200	20.1
440.15924	5.5
442.17401	1.9
444.15320	2.7
458.17081	57.3
459.17804	32.8
460.18600	5.5
490.19678	9.2
491.20370	4.9
581.23016	1.7
599.24750	13.1
641.25891	8.6
643.23755	3.5
667.23822	10.3
671.47552	2.4
685.24933	100.0
686.25195	9.0
689.49597	2.5
717.35541	7.4
717.48224	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	717.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.5
62.63973	1.1
62.76432	1.3
69.81226	1.5
69.81550	3.0
98.09756	1.8
98.23396	1.8
113.77632	1.1
148.34700	1.2
164.16693	1.3
196.07365	2.1
338.75204	1.4
525.74506	1.2
538.14551	1.5
717.34509	100.0
718.35181	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	717.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
55.05503	2.1
57.03432	1.6
61.02930	6.8
67.05505	7.6
69.03423	2.8
69.07063	3.3
71.09267	1.2
73.02914	4.1
79.05507	5.5
81.03413	1.7
81.07066	6.7
81.61573	1.0
85.02888	5.1
88.08300	1.1
91.03952	3.2
91.05457	2.5
93.07025	6.4
95.08601	4.8
97.02895	5.3
99.04504	1.4
101.02386	2.3
107.08601	4.0
109.10189	1.4
121.10113	2.5
125.09627	1.4
127.03959	1.1
133.10152	1.4
135.11719	3.2
145.10114	1.2
221.11478	1.7
227.71304	1.1
243.08290	1.7
251.63240	1.4
284.16129	1.1
335.25894	1.7
360.81564	1.2
439.19760	7.9
519.29370	6.7
717.41693	100.0
718.42102	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	718.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01878	5.1
55.05512	20.1
57.03435	10.4
57.07064	1.5
59.05001	3.6
61.02930	3.2
64.41473	1.2
65.03940	2.5
67.05503	100.0
68.05829	1.9
69.03411	3.1
69.07071	16.1
69.92117	3.4
71.04981	3.9
73.02870	1.2
77.76009	1.0
79.05489	25.9
81.03424	5.2
81.07056	39.8
83.04986	5.6
83.08622	12.4
85.02903	4.8
85.06548	4.1
91.03947	1.1
91.05477	22.3
93.07044	22.8
93.07604	1.6
95.04967	7.3
95.08600	17.9
97.02901	4.5
97.06518	6.0
97.10162	10.2
99.08102	2.2
105.04507	2.1
105.07018	17.1
107.04954	5.4
107.08586	20.5
107.09265	1.8
109.06497	2.7
109.10152	76.4
111.08086	4.2
113.12167	1.1
115.05537	1.0
117.07035	7.4
119.08578	17.1
121.06518	1.9
121.10106	6.4
123.11706	1.7
125.09612	8.8
127.03941	2.7
129.07027	2.6
130.07765	1.1
131.08585	10.5
133.10123	8.9
135.08072	2.6
135.11687	4.9
137.09612	3.7
139.63991	1.0
141.06996	1.2
145.10106	8.9
147.11696	4.7
149.09633	8.2
149.13266	2.5
151.11211	1.3
155.08578	1.2
155.10709	2.0
157.10147	1.9
159.11697	5.8
161.13277	2.9
163.11208	3.8
169.10175	1.3
171.11662	1.2
173.11768	21.6
173.13255	3.6
177.12784	2.4
183.11667	2.1
185.13313	1.1
189.11203	4.3
195.13882	2.4
201.90352	1.2
209.22729	1.0
215.66934	1.2
227.12762	15.4
229.14337	63.9
234.95357	1.1
239.17912	1.7
255.15833	5.0
257.18976	6.9
269.17456	7.4
275.20047	22.6
293.20914	1.4
331.22766	1.9
344.42578	1.3
349.23730	20.4
367.24512	1.1
378.46698	1.2
383.24173	1.6
399.23688	4.3
407.27853	2.5
409.25815	8.2
423.27386	35.7
424.27472	2.2
489.94791	1.1
503.33716	29.9
521.34717	3.3
543.27386	1.3
719.44397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13266	0.3
70.81866	0.6
118.51843	0.3
203.05251	1.8
271.07748	0.5
371.13089	100.0
372.13513	3.4
387.10266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46185	0.6
67.05509	5.3
69.06495	0.6
70.06576	0.9
85.02913	0.7
90.62571	0.6
91.05461	0.9
93.07070	0.6
93.58826	0.6
94.06562	6.2
95.08611	0.7
98.23466	2.0
105.04498	0.7
108.08122	2.1
120.08121	1.2
122.06020	15.2
122.06849	1.0
124.07558	0.5
131.95734	0.5
134.06044	2.6
136.07555	9.0
136.08603	0.9
138.09157	1.6
144.08105	0.7
145.02817	1.1
145.08849	0.6
146.06030	1.6
146.09669	0.7
148.07596	1.4
162.05592	1.0
163.03903	0.7
164.07050	7.5
166.08600	5.4
172.03851	0.7
172.07620	0.7
174.05710	0.7
174.09067	0.9
176.96490	0.6
177.05424	1.8
181.04944	0.9
188.81630	0.6
190.05115	0.8
204.06573	0.9
209.10698	1.4
210.11470	1.4
211.08656	0.7
212.01457	0.8
213.10225	0.9
220.09920	1.0
221.10747	2.0
222.11266	3.1
222.43103	0.5
223.08554	5.4
223.12016	2.8
224.09143	0.6
224.13078	1.9
225.10225	12.1
225.13699	0.8
233.08511	0.7
235.08536	4.5
235.12140	3.3
236.09218	2.9
236.13104	1.3
237.10220	9.0
237.13802	5.0
238.10942	5.4
239.11703	7.0
239.15337	0.7
241.09776	1.4
247.08672	0.6
247.12357	2.1
248.09560	3.6
248.13084	1.2
249.10213	14.9
249.13921	1.4
250.10918	15.5
251.08128	5.1
251.11780	32.0
252.12500	6.1
253.13252	3.3
255.11284	0.7
255.14871	1.4
262.10965	1.8
263.08606	1.3
263.11780	27.6
264.09314	1.3
264.12524	17.7
265.09799	10.5
265.13373	40.7
266.10538	3.7
266.14020	5.0
267.11224	2.5
267.14905	4.5
269.12769	1.5
275.11789	1.7
276.09995	1.2
276.12689	1.1
277.09769	6.5
277.13251	1.8
278.10379	4.6
279.08511	1.1
279.11285	12.2
280.12021	2.3
281.10065	0.9
281.12805	4.5
282.13397	1.1
283.10736	7.4
283.13873	1.0
291.11255	6.2
292.12030	2.4
293.09497	0.7
293.12817	14.8
294.13605	5.6
295.10800	6.7
295.14426	3.9
296.11533	9.1
297.12183	5.7
298.13162	1.7
305.09116	0.9
306.10126	0.9
307.10931	1.0
309.09531	0.4
309.12302	44.5
310.12939	5.9
311.13858	59.4
312.14169	2.9
319.10736	6.8
319.14221	1.0
320.11465	3.4
321.12292	9.2
323.10287	0.9
323.13968	1.3
324.11176	3.6
325.11856	2.9
325.15323	0.8
337.07568	1.3
337.08652	0.8
337.11780	44.2
338.12485	13.9
339.13364	57.2
340.13733	3.7
341.14865	0.7
344.13910	1.2
353.15067	1.2
357.14603	4.4
369.14407	51.5
370.14874	4.6
371.15973	64.3
372.16562	3.4
376.20413	0.8
386.18753	1.3
404.19662	0.9
414.17978	3.2
416.19675	10.1
432.19125	21.9
433.19327	1.1
442.17615	4.5
460.18634	100.0
461.18930	6.2
471.25781	0.8
478.19885	0.8
492.21259	74.4
493.21509	5.1
522.22162	1.6
538.21918	2.1
548.19867	2.6
564.19434	1.2
566.21313	38.9
567.21558	2.5
596.22400	1.4
643.27301	0.8
669.25580	1.6
687.26532	9.2
688.26764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34256	0.8
58.41220	0.8
58.96178	0.7
60.05625	1.4
63.64117	0.8
70.84675	0.7
75.40337	0.9
93.16385	0.8
122.49084	0.9
173.49910	0.9
195.09094	1.0
209.10809	1.8
210.11458	1.8
221.10693	1.0
223.12251	2.0
224.13084	1.2
225.10326	0.9
225.13872	3.8
237.13889	2.3
249.13815	2.2
251.08159	1.9
277.06110	1.0
310.31418	0.9
314.12811	1.2
325.11984	1.0
389.17429	1.1
391.18698	1.1
403.15247	1.5
405.16666	1.2
417.16846	5.1
418.18088	2.2
419.18222	1.5
419.39822	1.2
427.18829	1.1
429.16922	1.4
431.18658	3.6
432.19269	3.8
433.20010	4.6
445.16232	2.4
447.21860	14.7
448.22165	1.3
458.17331	1.1
460.18863	1.3
461.19250	1.4
466.64413	1.0
474.20450	2.0
475.21262	28.0
476.21756	5.4
503.20276	4.3
519.23724	1.4
521.25201	1.8
535.23297	17.1
547.23328	3.5
549.24591	2.8
561.24994	5.7
562.25665	2.9
563.26392	3.5
607.25287	1.4
621.27069	9.9
622.27802	100.0
623.28192	8.4
625.84216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36151	1.1
54.13336	1.1
55.66883	1.3
58.20580	1.1
68.70761	1.4
69.99200	2.4
69.99560	3.0
79.05495	1.3
81.07097	1.2
84.34800	1.1
93.07057	1.4
95.08625	1.3
136.87778	1.2
197.10770	1.6
198.92891	1.4
223.12369	2.1
225.13892	3.7
226.14738	2.4
227.12839	1.6
231.44661	1.3
237.13875	3.2
251.08177	1.8
331.55969	1.3
388.17969	1.2
403.15121	2.8
417.17184	4.3
418.17993	2.7
419.22922	2.5
431.18930	2.8
432.19278	3.6
433.20316	4.7
447.21869	10.7
448.22299	3.3
473.19086	2.1
474.20215	1.4
475.21158	29.1
476.21854	6.4
503.19962	2.8
519.23859	2.7
535.23297	18.4
536.24066	1.4
547.23309	3.6
549.24664	2.2
561.24890	4.3
562.25409	5.2
563.26471	4.0
581.15314	1.3
590.25092	1.4
621.27496	7.6
622.27832	100.0
623.28180	7.2
719.44153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05518	1.4
57.03443	4.0
59.30289	0.8
61.02922	8.6
67.05505	4.7
69.03437	3.7
69.07076	2.6
69.89272	2.8
71.79793	0.8
73.02926	5.4
79.05485	4.5
81.03425	1.8
81.07053	8.4
85.02900	6.7
87.04462	1.1
91.03954	3.9
91.05506	3.1
91.82582	0.8
93.07047	4.6
95.04967	1.1
95.08598	5.1
97.02890	6.3
99.04503	1.0
100.76905	0.8
101.02404	2.5
102.62978	1.0
105.07037	2.5
107.08629	2.7
109.02906	1.3
109.10172	1.7
119.08606	2.6
121.10181	2.2
127.03963	2.3
135.11792	1.1
146.51743	0.9
147.11676	2.4
185.04285	1.0
217.51164	0.9
234.01691	0.7
243.08488	1.9
420.23666	1.0
433.20099	1.9
441.20987	7.0
475.21017	1.0
519.29535	7.2
521.25555	1.8
547.23450	1.2
561.25482	1.2
562.25598	1.1
563.26404	4.4
594.28821	2.1
621.27484	1.3
622.27875	19.5
623.28174	2.3
719.43427	100.0
720.43787	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	720.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.86224	0.5
68.58674	0.6
69.03425	2.0
69.14891	3.5
70.06588	1.1
71.04989	2.9
81.03395	0.9
85.02898	5.2
89.03909	1.4
97.02338	0.6
97.02905	5.6
97.03509	0.9
106.06573	0.8
106.11890	0.5
107.04930	1.1
117.03391	2.5
124.39045	0.5
135.04398	5.6
145.02832	5.8
151.08638	2.7
160.09744	0.5
161.07077	1.1
163.03899	43.6
173.07106	9.5
174.07767	0.9
181.04961	1.3
187.08640	2.2
191.08139	68.1
192.08543	1.3
205.09676	2.9
215.08116	1.8
232.10808	4.8
233.09192	69.3
234.09602	1.3
250.11853	100.0
251.12115	3.0
274.11951	0.6
275.10248	0.9
292.12900	1.1
325.09158	7.1
341.11279	0.6
376.15192	1.5
379.14478	0.6
396.17630	2.3
412.17062	1.6
464.94785	0.5
566.23602	0.6
574.20337	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	721.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49889	0.5
53.03926	0.8
55.05507	2.2
57.03442	1.8
61.02923	4.5
65.03944	0.6
67.05498	8.3
69.03425	2.9
69.07067	2.6
71.01366	0.5
73.02911	3.5
79.05498	2.1
81.03413	2.3
81.07063	2.2
83.04993	1.1
83.08614	1.0
85.02909	4.3
91.03967	2.0
91.05478	1.6
93.07053	1.8
95.04942	1.2
95.08612	1.2
97.02879	4.1
97.10195	1.0
98.23505	1.1
101.02376	1.1
105.07056	1.2
107.04944	0.9
107.08617	1.9
109.02884	1.1
109.06506	0.6
109.10146	7.6
109.10806	0.7
111.08158	0.5
111.61430	0.5
117.07007	0.5
119.08598	1.7
121.10143	0.5
125.09629	1.1
127.03915	1.2
131.08568	0.7
133.10138	0.7
137.09631	1.0
145.04944	0.5
145.10063	0.6
149.13289	0.7
173.11765	2.0
185.04268	0.5
195.09947	0.8
201.21436	0.4
223.13216	0.9
229.14394	1.4
243.08380	3.4
278.04050	0.5
291.19574	1.1
301.09000	0.5
331.18854	1.0
334.50665	0.5
413.17764	10.2
508.73318	0.5
541.35229	0.7
549.26727	5.0
662.30969	0.6
721.37585	100.0
722.38147	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	722.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
53.13706	2.9
57.03424	2.7
69.03430	11.1
71.05001	3.6
71.42728	2.5
79.05470	3.1
81.03423	9.1
81.07045	5.3
83.04980	10.1
85.02892	14.5
87.00820	7.3
93.07024	2.7
95.04970	2.8
95.08610	11.6
97.02895	9.4
97.22916	2.3
97.23648	2.5
105.01859	4.9
105.07015	3.1
107.08589	16.8
107.91386	2.2
109.02862	12.4
109.10159	8.0
119.83508	2.4
120.08006	3.0
121.06436	2.9
121.10111	14.7
123.08098	2.9
125.09641	5.6
127.03892	15.9
133.10127	2.7
135.08060	6.2
135.11726	3.1
137.09595	7.0
145.02879	4.1
145.04935	4.1
147.11732	6.3
149.09592	6.4
149.13269	17.1
151.11174	36.6
153.09160	3.6
163.03911	21.1
163.14816	9.4
165.12730	3.5
169.05016	2.7
173.13257	7.2
189.03926	3.0
191.14304	52.3
200.03366	2.7
206.08121	11.0
209.15344	100.0
210.67633	2.7
231.05000	5.1
248.08955	3.2
252.08694	9.5
272.09177	2.5
273.06021	5.3
457.20709	5.0
462.66537	2.9
721.47333	15.8
722.47461	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	722.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98094	0.5
53.03945	0.8
55.01875	3.4
55.05505	0.8
57.03415	0.6
65.03941	0.5
66.89966	0.5
67.05492	0.9
69.03425	1.3
69.06712	0.8
69.07066	12.3
71.00095	0.6
71.00442	0.5
71.04978	0.6
79.05469	1.7
81.03400	1.3
81.07041	1.2
83.04970	1.6
83.51604	0.6
85.02889	2.4
86.21181	0.5
87.00822	0.6
91.05477	4.3
93.07037	10.1
95.04955	1.4
95.08551	1.1
97.02889	1.3
97.06525	1.4
99.04475	0.6
105.01822	1.2
105.07035	2.6
107.08589	9.2
109.02858	1.3
109.06489	0.6
109.10123	0.8
111.04475	0.7
117.07016	1.2
119.08579	2.4
121.06504	13.5
121.10143	7.2
123.08035	1.5
127.03905	2.6
131.08604	3.0
132.09340	0.7
133.10117	5.5
135.08047	5.8
135.11658	3.0
137.09630	1.1
143.08569	0.7
145.10115	2.0
147.11681	26.8
149.09624	2.7
149.13243	7.9
151.03894	0.8
161.09619	3.7
163.03874	1.2
163.14844	2.2
173.13269	6.3
176.11951	1.6
191.14299	100.0
192.14604	2.9
209.15453	1.0
213.04138	0.5
231.05057	0.5
273.06000	2.0
309.22440	0.7
340.43234	0.5
461.09293	0.9
481.24387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75021	1.7
51.16021	1.2
53.00298	2.0
53.03942	5.5
53.75462	1.3
55.01870	11.7
55.05510	14.8
57.03434	9.0
59.05005	1.8
61.02918	5.5
65.03925	3.3
67.05501	42.1
69.03423	4.5
69.07063	5.6
71.01321	1.6
71.04991	2.5
71.43770	1.4
71.44222	1.9
73.02909	1.7
77.03924	1.8
79.05487	37.3
81.03410	17.1
81.07053	40.7
83.04973	15.2
83.08618	10.8
85.02893	5.7
85.06538	5.0
86.87434	1.3
89.20190	1.3
91.05471	36.7
93.07039	42.3
95.01315	1.8
95.04957	20.5
95.08597	12.8
97.02853	6.5
97.06520	13.2
99.00806	12.8
99.04427	2.3
99.08073	1.6
103.05467	3.1
105.04472	2.4
105.07023	23.0
107.04947	41.5
107.08591	20.4
109.02849	11.5
109.06510	9.4
109.10138	7.1
111.04443	24.9
111.08066	11.3
115.03934	3.3
115.10805	1.3
117.07004	14.0
119.04969	2.1
119.08578	21.0
121.06477	9.6
121.10130	32.6
123.04494	3.0
123.08045	2.7
125.06027	1.9
127.03898	3.7
128.06210	2.6
129.07024	5.8
131.04907	4.8
131.08557	8.5
133.06468	1.7
133.10115	33.9
135.08041	5.4
135.11674	30.3
136.52252	1.4
137.05930	2.9
137.09592	2.0
139.07529	3.2
143.08501	6.8
144.05772	1.7
145.06465	9.1
145.10100	33.7
147.04399	3.5
147.08051	4.0
147.11685	1.4
149.09633	5.7
151.11180	10.1
153.06937	1.8
153.12735	11.0
155.08563	11.4
161.09583	17.3
163.03938	2.0
163.11174	45.0
171.08067	2.8
173.09607	25.1
174.86902	1.7
177.05490	1.5
179.10654	10.1
181.04959	2.5
181.12238	19.5
182.39531	1.5
189.09094	6.1
191.10648	13.2
207.10175	3.6
209.11737	10.1
209.49762	1.2
225.11191	8.8
227.12776	15.6
238.93143	1.5
265.14322	98.6
266.14636	4.5
281.13828	5.1
283.15359	67.1
284.15793	1.5
293.10339	2.4
299.11475	2.7
299.14865	52.0
300.15143	2.7
301.13654	0.9
301.16431	52.9
363.21671	4.1
489.24673	4.9
507.25867	76.0
508.25723	3.7
510.52386	1.5
523.36090	1.4
525.26917	100.0
526.27252	4.8
633.35565	1.4
722.38092	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	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05513	1.2
57.03429	2.1
58.66154	0.4
59.05012	0.6
61.02929	4.8
67.05509	8.2
69.03438	3.2
69.07061	2.1
71.01360	0.5
71.04996	0.6
71.18600	0.5
73.02911	3.3
77.10880	0.4
79.05489	2.4
81.03406	2.4
81.07074	3.3
83.04962	0.4
83.08617	0.8
85.02906	5.2
91.03952	2.7
91.05019	0.4
91.05452	2.2
93.07039	2.3
95.04980	0.5
95.08643	2.4
97.02884	4.0
97.06568	0.5
97.10181	0.6
98.17166	0.4
99.04469	1.1
100.74980	0.4
101.02379	2.0
103.03957	0.5
105.07035	1.4
106.07356	0.4
107.08611	1.4
109.02888	0.8
109.06511	0.4
109.10168	8.6
117.07034	0.5
119.08614	1.5
121.10168	0.8
127.03934	1.0
130.24191	0.4
131.08568	0.8
133.10133	0.7
135.11719	1.1
137.09639	0.9
147.11703	0.6
149.13290	0.5
155.10664	0.5
167.01479	0.5
173.11775	2.1
173.13084	0.5
185.04221	0.7
195.10046	0.8
229.14432	0.8
238.87474	0.4
243.08409	2.7
259.07870	0.4
330.75388	0.5
333.20523	1.8
413.17850	10.5
414.17908	0.5
453.20953	0.7
551.28180	5.0
723.39203	100.0
724.39465	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	724.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
54.74512	0.8
55.01868	8.1
55.05508	3.0
57.03438	8.1
61.02924	5.1
65.03939	1.4
67.05503	5.6
68.67516	0.8
68.99792	5.9
69.03427	44.9
69.07058	4.9
71.01353	3.2
71.04996	6.2
73.02920	5.5
75.04492	1.2
79.05500	3.2
81.03415	46.8
81.07050	7.2
82.03762	0.8
83.01351	2.7
83.04985	8.4
83.08620	3.6
85.02901	91.5
87.00826	35.9
91.03954	1.7
91.05492	3.0
93.07048	5.5
95.04942	7.8
95.08593	5.9
97.02888	46.3
97.06536	9.3
99.04451	14.2
99.08147	0.9
101.02364	3.3
103.03954	7.6
105.01858	36.2
105.04478	1.0
105.07048	3.4
107.04951	2.0
107.08594	5.2
109.02875	61.5
109.06515	6.6
109.10159	2.8
109.21392	0.8
111.00811	1.8
111.04447	7.7
111.08108	0.9
113.02374	2.1
115.03970	2.3
117.01852	2.6
119.04974	1.2
119.08577	7.1
121.02892	1.1
121.10131	2.5
123.04420	11.5
123.08055	8.2
123.11701	3.9
125.02341	6.4
127.03907	100.0
128.04250	1.7
129.01862	4.8
129.05495	1.0
133.06453	1.0
133.10120	19.3
135.04424	1.8
135.08189	0.8
135.11687	12.3
137.02419	1.0
137.06004	1.9
137.09631	2.7
139.03900	3.3
141.05533	1.2
145.04955	14.9
147.02901	2.8
147.04393	2.2
147.06523	2.4
149.13248	7.1
150.52718	0.8
151.03903	10.7
153.01865	1.0
153.12750	1.0
157.04953	0.9
159.02866	8.7
161.06000	1.4
163.03917	1.7
165.05484	4.8
165.12759	1.5
169.04955	14.7
171.02841	5.7
175.03911	1.3
175.14810	20.0
177.05534	2.6
181.04922	1.5
187.06006	9.8
189.03934	19.5
189.05440	1.5
193.04936	7.3
193.15869	34.4
195.02872	2.2
209.15387	1.7
211.06035	2.5
211.16917	30.0
213.03929	17.9
217.04973	2.1
231.04976	25.8
233.06604	2.6
235.06003	4.9
243.75728	0.9
249.06059	7.2
253.07095	3.3
255.04854	4.8
269.06564	1.0
273.06033	54.8
291.06915	1.0
297.06018	3.6
315.07147	7.1
321.06131	2.7
333.08084	1.4
339.07123	10.6
357.08099	8.8
425.07211	1.7
443.08252	8.5
459.22159	0.9
461.09366	12.1
479.10199	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	724.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01865	8.0
55.05506	3.9
57.03430	6.5
58.22094	1.4
59.41172	1.5
60.40764	1.8
61.02918	3.4
61.09468	1.8
67.05504	3.4
68.99780	4.5
69.03427	42.4
69.07056	3.7
71.01350	4.2
71.04979	4.5
73.02898	5.8
79.05495	2.1
81.02963	2.8
81.03413	42.4
81.07038	3.9
83.04985	8.1
83.08597	2.0
85.02900	88.0
86.03203	2.0
87.00822	37.8
91.05504	2.3
93.07026	4.7
95.04949	8.0
95.08595	4.5
97.02885	39.4
97.06512	5.4
98.23468	3.0
99.04456	13.3
103.03932	7.4
105.01855	32.6
105.07012	2.8
107.08554	5.6
109.02873	62.1
109.06506	3.1
109.10128	2.4
111.04456	8.1
113.02333	2.5
114.49497	1.8
117.01838	1.9
119.08565	5.0
121.10152	2.6
123.04445	10.1
123.08106	3.8
123.11690	6.7
125.02347	5.1
127.03904	100.0
129.01828	6.2
129.05435	2.5
133.10112	12.1
135.11699	8.9
137.09633	2.3
139.03856	2.3
141.05490	2.1
145.04951	15.8
147.02859	2.9
147.06493	2.4
149.13231	3.2
151.03908	12.3
159.02875	8.5
165.05505	5.2
169.04967	18.7
171.02887	4.8
175.14825	17.0
181.04919	2.1
187.05968	11.6
189.03925	20.6
189.05437	3.8
193.04980	7.5
193.15884	21.8
195.02939	2.5
209.15323	2.3
211.06085	3.7
211.16919	40.5
213.03917	21.1
217.05000	2.9
231.05013	23.6
233.06520	2.9
235.06027	2.2
249.06013	8.9
253.07065	3.5
255.04926	4.3
273.06039	54.8
297.05963	5.6
315.07187	9.1
321.06094	2.3
333.08185	2.4
339.07050	14.5
357.08118	5.5
412.71643	1.8
425.07077	2.9
443.08286	8.0
461.09222	16.6
479.10284	5.7
508.58099	1.7
536.51556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
55.05509	4.5
56.47997	0.3
57.03441	2.1
61.02928	0.7
64.39951	0.3
65.03922	0.5
67.01150	0.4
67.05497	1.8
69.03426	1.7
70.06585	0.7
71.04983	4.4
71.43398	0.5
74.57159	0.4
77.50539	0.4
79.59892	0.4
81.03411	0.6
83.04976	43.3
85.02898	100.0
86.03251	0.6
87.04464	1.0
91.05473	0.5
97.02883	1.0
99.04448	0.8
101.06007	0.4
104.57063	0.4
109.02843	0.8
111.04436	28.4
119.04951	0.5
127.03914	7.0
129.05470	15.2
133.10124	0.5
151.07542	2.2
153.05426	0.6
163.03915	0.6
164.09094	0.6
164.25476	0.4
171.06512	91.9
172.06824	1.7
175.14755	0.6
177.05431	0.4
181.08582	0.6
189.07533	0.8
210.14844	0.4
220.52388	0.4
231.08618	23.6
232.08911	0.8
255.76366	0.4
295.28864	0.5
339.06961	0.5
430.07602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98633	1.9
53.03939	5.7
54.97613	1.8
55.01868	11.1
55.05519	8.4
57.03430	8.0
59.59414	1.5
61.02924	3.4
64.52953	1.9
65.03933	4.0
67.05501	47.2
69.03424	4.7
69.07072	8.1
70.62098	1.9
71.04988	2.6
79.05486	43.4
80.05143	1.6
81.03410	18.5
81.07048	30.9
83.04977	21.8
83.08611	5.7
85.02905	4.5
85.06564	3.7
91.05468	25.2
93.03391	1.8
93.07038	41.1
95.01310	2.9
95.04966	17.9
95.08602	15.2
97.02856	2.2
97.06525	15.4
99.04456	4.7
105.06998	10.5
107.04944	52.1
107.08572	23.1
109.02869	2.7
109.06497	5.2
109.10150	5.5
111.04437	26.1
111.08075	6.6
117.06999	17.6
119.08565	19.4
121.06509	5.1
121.10134	38.5
121.10995	3.3
123.04461	2.2
123.08109	2.4
125.05978	2.9
129.06987	3.8
131.04945	4.0
131.08545	13.0
133.10155	4.8
135.08070	4.4
135.11690	41.0
142.27632	1.9
143.08629	2.7
145.06473	12.2
145.10103	46.6
147.08070	3.9
147.11644	2.2
149.09673	9.4
151.11160	2.1
153.07057	1.8
153.12730	11.6
155.08560	11.2
158.07204	3.6
161.09630	2.9
163.11163	59.2
173.09619	35.1
181.12231	16.2
191.10640	17.5
193.12296	1.7
195.16946	1.6
209.11690	10.1
227.12720	20.1
227.14326	1.7
265.14334	100.0
266.14688	3.5
267.15817	2.6
283.15359	55.5
299.14847	2.6
301.16422	64.4
302.16724	2.5
346.32190	1.8
347.22421	2.8
398.79843	1.7
424.62204	1.9
445.25839	3.6
463.26685	2.6
473.25482	23.2
491.26306	42.0
492.27075	2.2
509.27380	26.4
527.28491	61.0
528.28839	5.1
724.38647	5.6
725.40833	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	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
53.70952	1.2
55.01857	4.3
55.05507	13.9
57.03177	1.6
57.03431	13.6
66.55973	1.2
67.05499	22.8
69.03396	4.4
69.07060	5.6
71.01308	1.3
71.04976	3.3
71.42979	1.5
77.21925	1.2
79.05488	21.2
81.03411	88.7
81.07050	21.1
83.04964	9.8
83.08614	22.7
85.02904	13.7
85.06512	1.5
91.05470	26.4
93.07033	15.8
95.04958	29.5
95.08572	8.4
97.02897	5.8
97.06512	4.2
97.10153	6.7
105.07027	19.9
107.04945	8.5
107.08588	9.4
109.06509	5.2
109.10153	4.2
111.04431	2.7
111.08066	9.2
113.06021	1.4
115.05405	1.4
117.06994	4.2
119.08582	16.7
121.06483	4.7
121.10144	7.6
123.08048	3.9
125.05977	1.9
125.09619	3.7
128.06175	1.9
129.06990	11.4
131.08537	11.5
133.06459	5.1
133.10135	8.2
135.07994	1.7
135.11674	1.7
137.09587	3.3
142.07800	2.1
143.08549	1.7
145.06439	4.0
145.10112	3.8
147.08029	5.1
147.11649	10.1
149.09575	6.9
155.08549	1.7
157.06526	1.5
157.10110	13.1
161.09578	1.4
163.11182	3.1
165.12762	2.8
171.08035	1.7
175.11160	12.7
189.11145	2.3
193.12216	33.0
205.12175	1.2
211.13249	16.1
223.13074	1.9
227.12587	2.5
229.14301	2.1
237.12578	1.3
249.14951	2.5
249.75201	1.1
255.13811	2.8
267.15881	100.0
268.16257	3.2
273.14874	4.0
283.15338	4.1
285.16940	18.2
301.16443	1.2
341.21179	1.8
349.21442	3.0
365.23038	2.1
367.22583	12.5
385.23611	13.9
403.24536	3.6
433.25824	13.6
441.26144	7.7
459.27380	76.6
460.27368	4.6
476.05887	1.3
477.28485	50.0
478.28830	4.2
491.30923	1.2
501.28610	1.9
527.28564	1.9
724.40454	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	724.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
52.17435	0.4
52.99451	0.4
53.03946	2.1
55.01863	0.5
55.05507	12.4
57.03432	1.6
57.07064	1.4
62.98256	0.5
64.88827	0.5
65.03924	1.9
67.05499	34.7
68.05793	0.5
69.03413	0.8
69.06704	0.9
69.07059	8.7
70.09600	0.6
70.09925	0.9
71.04984	1.4
77.03934	0.7
79.05486	35.9
80.05822	0.5
81.07049	31.6
82.07376	0.5
83.04980	1.2
83.08609	3.9
85.06531	0.8
91.05472	18.7
93.07036	38.5
94.07359	0.4
95.04957	7.0
95.08596	23.9
96.08916	0.6
97.06529	1.3
97.10179	1.2
99.08131	0.6
104.99260	5.3
105.04515	2.4
105.07025	11.2
107.08584	16.6
109.06522	1.2
109.10142	7.8
111.08070	1.1
113.00007	9.2
117.07013	4.5
119.06144	0.5
119.08581	7.8
121.10135	13.9
123.08045	0.8
123.11729	1.7
131.08559	6.2
133.10121	6.1
135.11682	7.2
145.10109	4.4
147.11694	3.4
149.13263	3.6
159.11705	2.4
161.13252	2.5
163.14848	0.8
164.92001	2.7
169.02596	5.2
173.13249	1.8
175.14850	1.3
186.99565	2.0
187.03719	0.5
187.14830	1.2
219.17262	0.6
243.21092	1.1
244.95316	0.6
246.92363	1.6
246.94749	0.5
261.22101	6.2
268.99835	2.6
317.24686	4.8
335.25757	3.9
429.24091	0.5
595.47144	100.0
596.47620	7.6
612.49884	1.2
613.51971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05507	18.0
57.07051	4.4
65.03907	3.7
67.05501	59.8
69.07056	16.9
70.83435	4.3
70.94466	2.0
79.05492	60.5
81.07052	44.1
83.08605	6.5
86.65816	2.1
91.05475	35.3
93.07039	61.4
95.04966	8.0
95.08593	35.9
97.06544	3.7
105.04532	3.3
105.07008	16.7
107.08582	24.7
109.10156	11.3
113.00006	20.4
117.07002	6.1
119.08573	15.4
121.10128	20.0
123.11691	3.6
125.47021	2.3
130.05402	2.4
131.08557	9.2
133.10107	7.4
135.11703	11.8
145.10080	5.9
147.11690	6.3
148.05948	2.2
149.13191	3.9
150.91364	2.2
157.61269	2.0
159.11685	7.5
161.13226	4.0
169.02623	6.2
173.13249	3.0
178.67004	2.2
183.77705	2.2
261.22092	2.9
317.24731	5.4
335.25824	5.9
355.88724	2.5
408.81110	2.2
595.47125	100.0
596.47235	6.2
645.95636	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	725.186
Annotation	Anisofolin A
Peak:m/z	Relative Intensity
51.23314	0.1
55.05505	0.1
65.03931	1.7
67.01862	0.7
67.05504	0.1
68.99786	0.8
69.03425	0.2
69.22404	0.2
69.22802	0.4
79.89127	0.1
81.03438	0.1
81.07056	0.1
91.05473	10.8
92.05772	0.1
95.08603	0.1
95.59117	0.1
97.02869	0.6
98.22710	0.2
99.04523	0.1
107.08564	0.1
109.02868	0.2
111.00765	0.1
119.04932	23.0
120.05267	0.4
121.02864	1.4
125.02285	0.1
127.03896	0.2
129.01810	0.2
140.42870	0.1
145.02827	1.8
147.04393	87.9
148.04747	1.6
153.01807	6.9
163.03925	0.6
165.05475	3.9
169.06413	0.1
171.02875	1.9
187.03944	0.1
191.10577	0.1
191.80634	0.1
203.07072	0.6
215.06894	0.1
225.05432	1.0
229.04941	0.6
243.06541	0.3
271.05969	100.0
272.03369	0.2
272.06320	3.3
291.08481	0.5
417.09760	0.1
451.26788	0.1
455.13162	0.2
522.28278	0.1
579.14685	0.2
689.48761	0.1
725.36371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39695	0.2
55.05515	0.2
65.03931	1.3
65.31183	0.2
67.01852	0.8
67.05495	0.4
68.99812	0.5
69.76472	0.6
79.05492	0.5
81.07054	0.7
85.02910	0.2
91.05473	9.5
92.05827	0.2
95.04931	0.3
97.02880	0.4
98.22802	0.2
105.07040	0.3
109.02845	0.3
109.10122	0.5
109.54252	0.2
119.04933	18.6
120.05273	0.2
121.02853	1.4
127.03889	0.4
129.01753	0.2
133.10118	0.3
145.02858	1.3
147.04395	71.8
148.04756	1.4
153.01805	5.4
163.03957	0.5
165.05492	1.4
171.02863	1.5
203.06880	0.4
225.05452	0.6
229.04962	0.5
243.06505	0.4
253.14395	0.7
253.17860	0.2
254.14806	0.2
271.05975	100.0
272.06311	3.7
291.08566	0.3
331.18616	0.3
365.23117	0.6
375.08356	0.2
579.14838	0.2
699.97125	0.2
724.39911	0.2
725.33075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.62444	0.3
55.01871	0.3
57.03436	1.4
62.46193	0.2
63.02374	0.5
67.01863	1.0
68.99779	0.3
69.03423	2.4
70.61455	0.6
71.04991	7.5
73.02930	0.3
81.03405	3.9
82.55431	0.3
83.04963	0.6
85.02898	9.2
85.03418	0.5
87.00828	0.7
89.03910	4.2
91.05496	0.5
92.61909	0.3
95.04962	0.3
97.02886	4.7
97.03488	0.4
99.04449	1.5
103.05476	0.3
105.01841	0.4
109.02865	5.3
111.04427	0.5
117.03370	12.7
121.06502	3.0
127.03896	5.2
129.01868	0.4
129.05472	1.0
134.01826	0.3
134.03625	1.0
135.04419	1.2
137.05977	0.5
145.02835	44.6
146.03148	1.1
147.06549	0.5
149.05949	4.9
151.03867	0.6
163.03905	1.7
164.09215	0.3
172.80344	0.3
177.05452	100.0
178.05785	1.9
181.04933	0.8
181.06372	0.5
186.05554	0.5
195.06503	6.4
213.03848	0.5
231.04926	0.6
236.61485	0.3
241.08553	0.8
258.07703	0.4
259.09607	0.4
263.65900	0.3
285.07556	0.6
315.12189	0.5
321.09726	1.0
323.10999	0.4
383.09320	0.3
407.09677	0.6
425.10764	34.2
426.11011	1.4
483.44476	0.3
531.38696	0.3
535.24091	0.3
571.16168	1.0
663.87811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65383	0.2
53.03936	0.4
55.01854	0.5
55.05503	0.4
57.03202	0.2
57.03438	2.0
59.04994	0.2
61.02915	0.8
62.48129	0.2
63.02376	0.2
64.81009	0.2
65.39404	0.2
67.29903	0.2
69.03427	2.7
69.77947	0.2
70.06573	0.6
71.01339	0.8
71.04990	4.1
71.41969	0.3
73.02910	7.8
75.04471	0.7
79.05481	0.3
81.03410	2.4
83.04974	3.9
85.02896	8.3
87.04459	0.5
89.03904	2.0
95.04959	0.6
97.02889	4.9
97.06526	0.4
99.04435	0.8
103.03944	0.2
107.04942	0.8
109.02886	0.4
111.04443	2.9
112.17950	0.2
115.03916	2.1
117.03358	2.8
123.04398	0.2
127.03909	1.8
129.05469	2.8
133.04967	1.2
135.04408	7.2
137.02328	0.2
139.03908	0.7
141.05405	0.3
145.02840	6.7
147.06462	1.5
157.04977	0.3
163.03888	100.0
164.04282	1.8
169.05011	0.6
171.06532	1.2
177.05460	0.5
181.04950	2.6
189.07538	0.8
195.06548	0.4
204.12143	0.3
225.07597	1.2
225.37779	0.3
237.07568	0.3
243.08641	0.6
258.22501	0.2
261.09625	0.3
271.36249	0.3
272.40234	0.3
279.10718	0.3
295.08221	0.6
307.08078	6.4
308.08521	0.4
309.09561	0.3
325.09158	11.0
326.09500	0.3
349.09164	0.4
367.10205	9.3
368.10983	0.3
381.11594	0.3
399.12778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65383	0.2
53.03936	0.4
55.01854	0.5
55.05503	0.4
57.03202	0.2
57.03438	2.0
59.04994	0.2
61.02915	0.8
62.48129	0.2
63.02376	0.2
64.81009	0.2
65.39404	0.2
67.29903	0.2
69.03427	2.7
69.77947	0.2
70.06573	0.6
71.01339	0.8
71.04990	4.1
71.41969	0.3
73.02910	7.8
75.04471	0.7
79.05481	0.3
81.03410	2.4
83.04974	3.9
85.02896	8.3
87.04459	0.5
89.03904	2.0
95.04959	0.6
97.02889	4.9
97.06526	0.4
99.04435	0.8
103.03944	0.2
107.04942	0.8
109.02886	0.4
111.04443	2.9
112.17950	0.2
115.03916	2.1
117.03358	2.8
123.04398	0.2
127.03909	1.8
129.05469	2.8
133.04967	1.2
135.04408	7.2
137.02328	0.2
139.03908	0.7
141.05405	0.3
145.02840	6.7
147.06462	1.5
157.04977	0.3
163.03888	100.0
164.04282	1.8
169.05011	0.6
171.06532	1.2
177.05460	0.5
181.04950	2.6
189.07538	0.8
195.06548	0.4
204.12143	0.3
225.07597	1.2
225.37779	0.3
237.07568	0.3
243.08641	0.6
258.22501	0.2
261.09625	0.3
271.36249	0.3
272.40234	0.3
279.10718	0.3
295.08221	0.6
307.08078	6.4
308.08521	0.4
309.09561	0.3
325.09158	11.0
326.09500	0.3
349.09164	0.4
367.10205	9.3
368.10983	0.3
381.11594	0.3
399.12778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01869	2.9
55.05509	10.1
57.03435	2.2
60.93827	1.0
61.21936	1.1
63.05647	1.1
64.97597	1.2
67.05500	4.8
69.03426	10.3
69.07064	19.0
71.01349	2.1
71.04986	4.7
73.02922	1.4
73.06564	1.5
79.05487	13.1
81.03413	5.1
81.07053	11.5
83.04977	30.6
85.02904	9.9
87.00836	2.7
89.02374	1.9
91.05467	17.9
93.06443	2.6
93.07037	42.7
95.04974	5.4
95.08603	10.8
97.02897	4.0
97.06525	30.5
97.07120	2.2
98.23505	2.7
99.04457	1.9
101.06028	2.1
103.05475	1.9
105.01875	1.7
105.04502	1.3
105.07021	61.0
107.04982	1.9
107.08588	24.6
107.09257	2.1
108.17817	1.0
109.02872	2.9
109.06531	3.4
109.10159	2.9
117.06980	6.7
119.08572	40.5
121.06513	3.8
121.10138	50.6
123.08076	1.8
123.11699	1.7
125.05982	57.8
127.03914	3.7
128.06229	1.5
129.05475	2.3
129.07022	3.0
130.07793	3.0
131.08565	10.6
133.10112	21.1
135.08037	2.7
135.11687	3.2
138.06050	1.0
139.07552	2.7
142.07730	5.7
143.07037	67.6
143.08560	13.2
145.05022	1.7
145.10107	29.0
147.08041	2.1
147.11673	100.0
148.12061	4.4
149.09619	9.4
149.13338	2.3
151.07533	2.4
155.08545	2.1
156.09354	4.0
157.08742	1.3
157.10118	30.6
159.11690	9.7
161.09528	2.9
161.13245	1.5
163.03958	2.6
165.09135	1.8
169.08649	1.8
169.10103	1.8
170.10907	4.0
171.11694	5.5
175.14832	6.4
177.09021	2.0
183.10170	3.3
183.11726	2.0
185.09601	1.5
185.13234	27.4
187.14819	3.8
189.09142	2.3
199.14809	10.6
201.16341	3.5
202.58577	1.2
203.10669	3.7
203.14345	5.5
205.12128	2.2
217.15919	3.4
219.13712	2.0
219.17413	1.3
227.14363	2.3
237.14659	1.2
245.15340	52.0
246.15823	1.4
247.16942	7.7
263.16409	62.1
264.16840	3.2
329.17444	1.2
389.19516	1.8
407.20166	1.3
411.08591	1.4
436.21472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72566	0.5
53.03937	0.9
55.01857	0.9
55.05513	2.2
57.03429	2.2
59.04992	1.2
67.05502	7.4
69.03423	1.4
69.07061	6.0
70.78648	1.1
71.04996	1.5
74.85384	0.6
79.05505	2.9
81.03406	9.4
81.07049	9.5
83.04977	1.2
83.08610	2.1
85.06520	0.6
86.91199	0.5
91.05454	4.2
93.07030	7.0
95.04958	14.3
95.08599	16.1
97.06519	14.0
97.10154	3.1
99.04411	1.1
99.08071	0.8
105.07023	9.3
107.04944	0.9
107.08587	10.8
109.06503	5.4
109.10150	14.5
111.08072	1.3
113.06010	0.8
116.51916	0.6
117.06984	2.1
119.08574	10.2
121.06511	3.1
121.10136	8.2
123.04436	3.3
123.08064	9.0
123.11689	5.0
125.09608	2.9
129.06917	0.6
131.08575	4.7
133.10120	9.6
135.08076	4.5
135.11688	4.4
137.09610	1.4
137.13261	1.8
142.07721	0.8
143.08546	4.2
145.06485	1.4
145.10112	11.2
147.08023	2.4
147.11684	10.6
149.09581	2.5
149.13243	7.8
151.07521	0.9
151.11151	6.4
155.08540	1.0
157.10086	4.5
158.10913	1.5
159.08070	1.7
159.11696	9.9
161.09621	4.6
161.13246	9.2
163.11182	2.2
163.14810	6.0
165.12735	1.6
167.14249	0.9
169.10054	1.1
171.11649	4.7
173.09637	1.5
173.13245	10.9
175.11130	3.2
175.14778	3.9
176.11925	1.2
177.12747	2.1
177.16342	3.4
179.07074	0.7
179.10646	7.0
179.14345	0.8
181.10103	0.6
185.09586	2.0
185.13229	4.0
187.11153	1.5
187.14822	1.6
189.09100	1.1
189.12703	1.8
189.16360	2.1
191.14282	17.5
193.10155	0.7
193.12291	1.5
193.15869	1.0
194.10918	0.7
195.11659	1.0
197.09612	1.5
197.13234	0.8
199.11122	1.7
199.14758	4.5
201.12659	1.0
203.10629	1.2
203.14305	2.2
203.18027	0.9
205.12177	3.9
207.09935	0.7
209.09558	0.8
209.15340	8.3
211.11073	1.8
213.12775	1.7
213.16286	3.0
215.17911	1.1
217.12173	0.7
219.13824	4.7
225.16309	0.8
227.14409	1.2
227.17921	2.1
229.12206	0.9
229.19527	3.3
231.13817	1.4
231.21054	0.8
239.14195	1.1
241.15845	0.9
245.15324	1.4
245.19090	1.0
245.22615	4.2
253.15984	0.7
255.21056	42.4
256.21353	2.4
257.15317	1.5
257.22623	2.3
267.17365	1.0
271.16837	1.3
273.22098	100.0
274.22467	3.5
275.20007	1.2
283.20425	0.8
284.74313	0.6
285.18481	1.1
287.16431	1.3
289.21719	0.7
295.16925	3.2
301.21600	11.8
313.14316	1.2
313.17953	25.7
314.18411	1.0
319.22659	7.6
331.15057	1.3
331.19025	23.8
332.19290	1.3
365.19489	1.0
373.20166	1.7
391.21185	6.0
408.23529	1.0
475.09604	0.6
554.22943	3.5
630.24091	1.9
726.44928	0.7
746.54279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01876	1.6
55.05499	3.2
57.03434	6.6
57.07066	1.3
57.27730	0.8
59.04992	1.2
65.03929	1.3
65.53018	0.7
67.05161	0.8
67.05502	10.8
69.03408	1.6
69.07059	8.3
70.58131	0.7
71.04977	1.5
79.05480	5.2
81.03410	21.5
81.07053	12.7
83.04982	2.1
83.08622	1.3
85.06513	1.0
91.05463	5.9
93.07037	9.7
95.04961	31.1
95.08597	20.3
97.06522	20.3
97.10141	4.1
99.04450	1.3
99.08077	1.6
105.07018	12.4
107.04936	1.9
107.08587	15.6
109.06510	8.6
109.10148	21.9
111.08051	1.7
117.06992	2.2
119.08571	16.1
121.06502	5.9
121.10121	10.0
123.04433	7.8
123.08058	17.0
123.11694	6.3
125.09652	4.8
127.15733	0.9
127.16608	0.8
129.06960	2.0
131.08553	10.3
131.50885	0.7
133.06500	1.7
133.10120	13.5
135.08029	8.3
135.11678	7.4
137.06001	1.0
137.09601	3.2
137.13231	1.7
139.07489	1.5
141.07031	0.9
142.07767	2.1
143.08569	5.5
144.09311	1.1
145.06468	3.4
145.10130	13.0
147.08043	3.2
147.11676	12.6
149.06007	0.8
149.09630	4.2
149.13243	7.6
151.07584	1.2
151.11174	12.0
155.08473	1.1
156.09331	1.3
157.10110	6.4
158.10890	3.0
159.08046	2.4
159.11681	12.3
161.09613	8.3
161.13258	10.2
163.11168	2.8
163.14818	5.8
165.12733	2.3
167.14320	2.2
169.10106	2.4
170.10815	1.0
171.08020	2.4
171.11661	6.5
173.09610	3.5
173.13249	17.5
175.07582	1.6
175.11096	4.5
175.14767	4.5
176.11948	2.6
177.09125	1.0
177.12685	2.5
177.16341	4.3
179.07018	1.1
179.10683	11.2
179.14246	1.7
183.08081	1.7
183.11679	2.7
184.08807	1.5
185.09677	4.3
185.13251	3.8
186.10252	0.9
187.11150	2.4
187.14793	2.4
189.09116	1.4
189.12749	3.1
189.16360	3.3
191.10692	1.8
191.12527	1.7
191.14284	34.7
192.14673	2.0
193.10112	1.2
193.12222	1.6
193.15779	1.1
195.11658	1.2
197.09595	2.9
197.13199	1.8
199.11183	2.9
199.14784	5.4
201.08971	0.9
201.12686	3.5
203.10681	1.3
203.14279	2.8
203.18057	0.9
205.12291	5.2
205.13963	1.0
207.13850	0.9
209.09734	1.2
209.13336	1.6
209.15331	17.3
211.11174	3.7
211.14680	1.2
213.09256	1.0
213.12685	2.4
213.16389	2.4
215.10693	1.3
215.18034	1.5
217.12219	2.1
219.13835	7.6
225.12741	1.7
227.10689	1.4
227.14297	1.6
227.17937	1.7
229.12123	1.4
229.19429	3.5
231.13855	1.5
233.11592	0.9
237.12686	1.0
239.14279	2.4
241.12164	1.1
241.15807	1.3
245.15376	1.9
245.19003	0.8
245.22621	4.5
253.15796	1.3
255.21054	46.3
256.21475	2.4
257.15344	2.5
257.22638	3.0
267.17419	2.5
269.15445	0.9
271.17020	1.3
273.22101	100.0
274.22491	4.0
275.19971	1.0
285.18356	3.5
287.16315	1.8
295.16846	7.4
301.21600	13.2
313.17941	47.7
314.18311	2.6
319.22626	8.6
331.19022	40.3
331.22122	0.5
332.19354	2.4
373.20078	2.9
391.21136	12.1
408.23660	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01874	2.1
55.05508	5.0
57.03431	5.0
59.03559	1.2
61.50655	1.2
65.08265	1.1
67.05499	15.1
68.11523	1.1
69.03420	1.8
69.07056	6.6
71.04990	1.4
72.41780	1.3
79.05486	5.7
81.03413	15.8
81.07050	13.6
83.04993	2.1
83.08620	2.4
85.06534	1.3
91.05492	4.2
93.07032	9.9
95.04957	26.0
95.05521	1.6
95.08595	18.8
97.06525	14.5
97.10170	3.8
105.07018	14.4
107.08572	15.8
109.06514	5.2
109.10144	24.5
111.08052	2.4
113.09621	1.5
117.07001	1.9
119.08583	15.8
121.06502	4.5
121.10142	11.4
123.04414	4.9
123.08058	11.6
123.11730	6.7
125.09651	4.0
131.08571	7.7
133.10123	11.1
135.08051	6.1
135.11702	6.6
137.09641	2.6
137.13280	2.4
143.08543	5.7
144.09306	1.4
145.06496	2.4
145.10101	12.9
147.08067	2.4
147.11673	10.8
149.09624	5.1
149.13246	7.0
151.11159	9.8
157.10155	4.4
158.10916	1.7
159.11671	13.9
161.09630	5.5
161.13226	12.2
163.11172	2.6
163.14815	7.0
165.12758	2.1
167.14258	2.3
171.11693	5.6
173.09631	2.1
173.13240	15.9
175.11264	2.0
175.14777	6.4
177.12666	2.4
177.16397	3.6
179.10692	7.3
179.14220	1.3
185.09555	1.9
185.13300	5.4
187.14832	3.6
189.16388	3.2
191.14284	24.1
193.12308	1.6
193.15839	1.5
197.09540	1.7
199.11270	1.6
199.14790	6.0
201.12782	2.2
201.16307	1.4
203.14302	2.8
205.12245	3.3
209.15323	9.1
213.12825	2.4
213.16415	2.1
214.02319	1.3
215.10706	1.7
219.13794	5.4
227.18001	3.5
229.19551	4.5
231.13864	1.5
239.14319	2.0
245.15634	1.4
245.22667	4.6
255.13672	1.5
255.21054	47.4
256.21417	2.2
257.15305	1.8
257.22510	2.4
267.17401	1.6
271.17026	2.0
273.22095	100.0
274.22546	3.2
275.19937	2.2
287.93243	1.2
295.16986	4.2
301.21603	13.7
313.17950	22.8
319.22693	7.7
331.18964	24.6
373.20038	1.6
391.21045	5.3
408.23651	5.2
607.83740	1.2
754.43842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	2.7
55.05505	14.6
55.88466	1.1
57.03432	13.9
57.07055	2.4
60.06453	1.1
61.02922	2.9
65.03938	2.8
67.05501	74.7
69.07065	20.6
71.04977	4.3
79.05487	40.7
81.03440	1.8
81.07054	88.4
83.04995	3.8
83.08626	15.0
85.02891	2.3
85.06551	5.0
89.71047	1.2
91.05471	22.8
91.05991	2.0
93.07037	66.0
93.52120	1.1
95.04962	8.3
95.08601	38.4
97.06509	8.7
97.10147	1.8
99.08073	3.0
105.04520	1.4
105.07010	10.8
107.08585	35.8
109.06498	2.4
109.10150	13.2
111.08079	7.1
111.11717	1.5
113.09635	1.8
117.07006	8.0
119.08579	8.3
121.10139	24.0
123.11694	5.2
125.09639	2.0
129.07062	1.7
131.08563	12.2
133.10117	10.6
135.08049	2.2
135.11700	14.3
139.11177	1.6
145.10138	3.6
147.11699	4.6
149.13237	29.8
159.11679	14.7
161.13246	2.8
163.14880	1.4
173.13271	4.0
177.12752	5.1
187.14873	2.6
195.13814	10.7
213.14705	1.1
243.21114	2.9
243.44131	1.1
261.22095	10.9
267.15881	1.5
269.17459	98.6
270.17865	2.5
317.24722	2.1
335.25769	62.7
336.26175	4.2
437.33527	1.9
455.35046	1.6
459.77051	1.4
529.38855	100.0
530.39069	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	726.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
53.80711	1.6
55.05511	13.6
57.03408	1.7
57.07059	3.8
60.21237	1.5
64.47655	1.3
65.03923	1.9
66.79366	1.6
67.05499	68.7
69.07065	14.7
71.04987	1.8
71.08712	2.7
74.20579	1.5
79.05482	38.2
81.07051	66.1
83.04965	2.3
83.08620	7.5
85.06515	2.0
91.05461	18.5
93.07040	38.8
95.04979	4.0
95.08598	51.5
96.08938	1.6
97.06567	2.4
97.10188	3.0
105.04536	1.8
105.07018	14.0
107.08585	19.4
107.62097	1.4
107.84631	1.6
109.10138	18.0
110.03030	1.3
111.08073	2.4
113.00012	12.2
117.07025	3.8
118.33719	1.7
118.89136	1.4
119.08583	8.7
121.10123	16.2
123.11662	7.7
131.08543	8.7
133.10100	9.3
135.11719	8.9
137.13193	2.5
145.10101	5.1
147.11642	7.3
149.13248	5.1
159.11670	2.0
161.13243	2.6
169.02600	13.2
175.14799	3.6
201.74519	1.5
221.34445	1.4
243.20906	1.7
261.22128	3.9
288.03171	1.6
317.24960	2.0
335.25656	2.6
337.27374	2.1
597.48706	100.0
598.49127	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	728.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	0.3
57.03435	1.3
63.02371	0.3
67.01858	0.6
68.99796	0.2
69.03433	1.9
70.06579	0.3
70.71210	0.3
71.04991	8.2
75.04494	0.3
78.84609	0.2
79.05477	0.9
81.03417	2.9
83.04970	0.7
85.02903	8.8
86.03254	0.2
87.00828	0.6
89.03912	3.8
91.05493	0.4
95.04977	0.4
97.02254	0.3
97.02888	4.2
99.04453	1.1
105.01887	0.3
107.04928	1.3
109.02876	5.3
111.04427	0.7
117.03376	5.7
119.04959	0.3
123.04385	0.3
125.02342	0.3
127.03912	4.5
129.05452	1.6
135.04411	12.9
137.05977	1.8
145.02847	10.6
146.03162	0.2
146.08083	0.4
147.04350	0.5
147.06538	0.4
149.05904	0.3
155.03239	0.2
156.97969	0.2
157.33078	0.2
161.05940	0.6
163.03894	100.0
164.04239	2.2
164.09161	0.6
165.05482	1.9
175.07655	0.2
177.05466	0.3
179.07022	0.8
181.04939	5.5
181.06229	0.2
189.05522	0.3
199.07558	0.2
201.05420	0.3
203.07039	0.5
213.03947	0.6
215.07007	0.2
217.08600	0.5
221.08023	0.2
227.06992	0.7
231.04977	0.4
237.07591	0.3
245.08081	2.2
255.08731	0.2
263.09125	1.1
271.05954	0.9
290.05539	0.2
305.07913	0.4
307.08047	0.9
317.10135	0.6
323.07843	0.2
325.10553	0.2
337.10590	0.7
349.09088	0.6
355.11285	0.2
358.88138	0.2
367.10367	0.5
375.06818	0.3
393.08145	0.5
411.09201	22.4
412.09677	1.1
496.07019	0.2
547.14429	1.1
557.14886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46140	0.1
53.03941	0.2
55.01858	0.6
55.05494	0.5
57.03434	2.0
60.40950	0.1
61.02922	1.1
63.02371	0.3
67.05487	0.2
69.03065	0.2
69.03425	3.5
71.01340	0.7
71.04586	0.2
71.04987	4.8
73.02912	8.2
75.04466	0.3
79.05483	0.4
81.03408	1.0
83.04978	2.8
85.02898	9.4
87.04449	0.5
89.03902	2.3
89.74358	0.1
91.05481	0.8
95.04975	0.5
97.02888	6.1
98.23411	0.5
99.04427	0.6
101.02410	0.2
103.03912	0.2
107.04938	0.8
109.02877	0.4
111.04444	1.6
115.03925	1.9
117.03374	3.2
127.03903	0.7
129.05472	1.9
133.04979	1.1
135.04407	8.5
137.02293	0.3
139.03827	0.3
143.04742	0.2
145.02844	7.3
147.06529	1.5
157.04939	0.2
163.03889	100.0
164.04227	1.6
165.05484	0.3
168.96500	0.1
169.04861	0.2
171.06557	0.3
177.05460	0.4
179.07065	0.2
181.04947	2.1
199.06085	0.2
223.24825	0.1
225.07561	0.5
227.05760	0.7
228.06494	0.3
230.08171	0.4
240.06580	1.0
243.08682	0.4
258.07587	5.2
261.09692	0.2
287.28119	0.2
295.08176	0.3
307.08118	0.6
309.09613	0.4
325.09155	20.4
326.09576	0.7
327.60437	0.2
545.70776	0.2
588.33221	0.2
691.82336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96299	1.5
55.01842	1.9
55.05499	6.7
57.03422	4.9
59.05002	1.6
61.02898	1.4
65.03959	1.9
67.05504	26.2
69.03436	3.0
69.07066	12.7
69.18353	10.4
71.04993	2.9
79.05491	14.4
81.03418	15.0
81.07057	26.6
83.04981	4.4
83.08597	4.1
85.02872	2.4
85.06559	1.9
91.05482	18.0
93.07032	15.9
95.04973	26.6
95.08608	25.2
97.02854	1.6
97.06520	8.3
97.10169	2.0
98.22655	3.1
99.04469	3.4
105.07019	18.3
106.07326	2.0
107.08587	16.4
109.06496	7.1
109.10145	19.8
111.08111	2.0
117.06992	2.8
119.08564	31.1
119.76741	1.8
121.06483	6.5
121.10127	12.8
123.04442	3.5
123.08063	14.9
123.11705	3.4
125.09573	4.7
131.08549	8.0
133.10127	22.3
135.08029	5.1
135.11681	8.3
137.09598	3.2
141.06866	2.2
143.08531	3.8
145.06430	3.7
145.10080	10.6
147.08003	1.7
147.11653	14.3
149.09612	2.7
149.13243	6.1
151.07559	2.1
151.11198	10.0
157.10106	5.3
158.10837	2.5
159.08022	2.3
159.11708	9.7
161.09555	9.9
161.13275	4.7
163.11188	2.8
163.14812	3.9
171.11679	5.9
173.09607	2.7
173.13258	14.7
175.11279	3.3
175.14822	57.0
177.12709	2.5
177.16367	3.8
179.10680	8.1
183.11647	3.5
185.09595	3.2
185.13217	4.5
186.10306	1.8
187.11186	2.4
187.14784	4.7
189.12715	2.1
191.14313	29.8
192.14572	1.8
193.12279	2.1
197.13289	2.6
199.11070	2.2
199.14940	2.1
201.12688	2.6
201.16356	3.5
203.14284	2.8
205.12247	3.9
209.15323	13.8
211.11104	2.8
213.12694	2.9
219.13829	8.3
221.15355	100.0
222.15718	3.6
227.18007	1.6
231.13849	2.3
233.11623	1.7
233.15434	3.7
239.14284	3.2
241.12402	2.0
243.20976	2.4
245.15253	2.7
255.21016	2.6
256.21555	2.2
257.15390	2.4
257.22684	10.7
261.22125	3.6
271.15271	17.5
273.22153	4.6
274.22409	4.8
275.22879	2.4
285.18536	2.0
287.16357	2.3
295.16830	3.6
301.21759	1.7
303.23044	5.1
305.17578	2.6
313.17963	41.8
314.18262	3.4
331.19025	33.2
332.19312	3.1
335.25827	22.7
349.20264	1.8
373.20062	3.4
391.21109	7.3
399.63327	1.5
512.20514	2.1
531.36737	8.7
554.22614	4.6
555.23260	16.5
599.22089	3.0
623.63885	2.1
631.24451	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	728.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01872	1.8
55.05505	11.5
56.38745	1.5
57.03422	11.5
57.07069	3.9
60.05647	21.7
65.03914	1.8
67.05507	28.1
69.03413	4.7
69.06714	2.0
69.07064	30.6
69.17332	2.6
69.17722	9.7
70.07388	1.5
71.04980	3.8
79.05487	16.9
80.05846	1.7
81.03416	33.2
81.07049	39.8
83.04972	5.6
83.08604	6.0
85.06541	2.1
91.05474	14.0
91.35710	2.2
93.07033	22.7
95.04961	51.0
95.08600	35.7
97.06529	13.8
97.10158	5.7
99.04452	3.2
104.65600	1.9
105.07020	29.0
107.08591	29.9
109.06528	14.7
109.10150	43.0
111.08094	3.2
111.11687	4.6
117.06973	4.4
119.08563	32.2
121.06496	11.9
121.10127	22.4
123.04410	12.2
123.08057	36.8
123.11674	12.2
125.09613	6.4
128.06198	3.0
129.06999	4.2
131.08562	18.0
133.06543	2.3
133.10120	29.9
135.08043	14.3
135.11664	14.8
137.05939	2.3
137.09596	5.3
142.07774	1.8
143.08534	11.3
144.09314	2.3
145.06461	6.8
145.10117	28.3
147.08028	8.6
147.10564	3.2
147.11674	42.3
149.05963	1.8
149.09569	7.7
149.13235	14.4
151.07553	3.8
151.11165	21.6
155.08505	3.3
156.09373	2.2
157.10127	11.1
158.10902	6.2
159.08002	4.7
159.11684	26.9
161.09605	17.2
161.13248	44.2
163.07593	3.2
163.11180	6.6
163.14839	11.7
165.12689	2.5
167.14360	3.4
169.10101	6.0
171.08061	2.4
171.11652	8.5
173.09615	9.0
173.13246	44.6
175.11128	11.0
175.14815	15.6
176.11966	4.6
177.09091	3.3
177.12823	4.4
179.10669	28.4
183.11697	4.7
184.07346	2.0
184.08850	3.8
185.09576	6.0
185.13211	4.5
187.11171	6.2
187.14827	13.6
189.09044	4.7
189.12727	10.6
191.10675	3.7
191.14294	74.1
193.12225	19.6
195.11685	2.6
197.09599	4.7
197.13266	3.7
199.11165	5.5
199.14792	4.8
201.12744	6.6
201.16362	10.8
203.10625	3.9
203.14294	3.7
205.12166	10.1
205.71640	1.6
207.13768	17.7
209.09550	2.9
209.13396	3.0
209.15346	34.0
211.11121	5.0
211.14867	2.1
213.12723	7.0
215.14404	2.6
215.17966	3.5
217.12268	5.7
219.13756	22.0
221.15329	4.0
227.10678	3.2
227.14311	5.3
229.12213	2.6
229.15855	3.5
231.13744	5.8
233.11731	3.4
233.15215	2.6
239.14310	5.7
241.12134	2.9
241.15787	4.1
243.21086	4.0
245.15358	5.2
247.16888	3.7
253.16031	3.1
257.15344	7.8
257.22604	53.6
258.22946	3.2
267.17441	3.5
269.15390	5.1
271.15134	3.1
275.16559	2.0
285.18460	6.8
285.21863	4.0
287.16354	4.7
295.16910	15.9
303.23181	33.3
305.17535	2.0
313.17953	100.0
314.18253	3.5
331.19009	73.1
332.19482	4.2
335.25790	8.1
349.20001	4.3
365.19662	3.7
373.19894	7.7
374.54575	1.6
391.21219	14.3
408.23770	4.9
425.26767	1.8
500.83163	1.8
569.39410	4.8
587.40637	7.0
599.50623	3.2
614.37183	1.8
633.41125	5.0
647.42627	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	728.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
55.05503	6.7
57.03432	10.2
63.51814	2.4
64.09570	2.7
65.89775	2.2
67.05502	21.7
68.95811	2.3
69.03417	4.5
69.07064	8.9
69.19208	7.0
69.19614	8.1
71.05031	2.2
79.05495	10.6
81.03413	40.8
81.07044	17.4
83.04967	5.1
91.05482	9.7
91.75974	2.7
93.07059	12.5
95.04346	3.2
95.04961	63.4
95.08588	18.5
97.06534	4.6
105.04503	2.4
105.07018	19.6
107.04911	3.5
107.08582	20.3
109.06504	11.2
109.10130	11.2
111.08076	3.6
117.06949	3.3
119.08585	30.5
121.06519	13.4
121.10139	46.7
123.04404	17.1
123.08064	28.1
123.11675	3.2
125.09598	3.7
131.08580	7.2
133.06519	4.4
133.10138	23.5
135.08040	11.7
135.11696	15.1
135.82187	2.4
136.94211	3.0
137.09566	5.3
143.08546	6.2
145.06490	7.7
145.10091	19.2
147.08035	4.4
147.11691	12.4
149.09593	7.3
149.13274	4.0
151.11156	5.2
155.08575	3.0
156.09300	5.8
157.10103	11.0
158.10930	4.2
159.08063	5.6
159.11674	20.2
161.09608	10.3
161.13272	3.7
163.11174	62.9
163.14848	3.2
169.10033	3.1
170.10776	3.4
171.11638	12.7
173.09673	5.5
173.13205	18.1
175.11168	6.9
175.14813	32.4
177.09138	3.8
177.12706	12.1
183.08055	3.3
183.11676	8.0
185.09578	4.8
185.13274	7.2
187.11205	7.4
187.14636	3.4
189.09088	4.0
189.12659	3.5
191.14311	11.3
193.15880	18.9
195.11823	4.6
197.13248	10.5
199.11163	5.5
199.14809	3.6
201.12762	9.5
203.14302	10.0
211.11185	5.0
213.12692	7.4
215.14290	11.0
219.13890	3.5
221.15350	23.9
225.12769	3.8
225.16351	5.2
227.14238	3.6
229.12378	4.7
229.15825	10.8
233.15341	3.1
235.73567	3.1
239.14148	3.5
241.15846	7.9
243.13748	3.8
245.15364	3.2
253.15787	3.9
255.17477	3.7
255.21046	6.6
257.22665	3.4
269.18988	8.6
271.16931	4.4
273.18622	2.5
273.22153	17.7
279.17380	10.5
297.18451	50.7
313.17764	4.1
314.18494	3.0
315.19504	97.5
315.23199	5.2
316.19791	3.6
319.22928	2.7
331.19147	5.4
333.20572	57.3
334.21158	3.0
375.21637	100.0
376.22049	6.1
410.25259	9.8
547.40918	3.0
554.22607	5.4
555.22858	15.4
599.49445	3.1
631.23999	3.8
720.47266	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	728.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.5
55.79401	3.2
57.03432	16.6
59.04981	3.3
65.03940	3.4
67.05499	34.3
69.03432	5.9
69.07059	10.8
69.09810	23.0
71.04990	3.2
79.05485	14.0
81.03408	57.0
81.03842	5.2
81.07034	25.3
83.04978	5.9
83.08625	8.7
91.05467	12.5
93.07039	25.5
95.04359	4.9
95.04961	95.4
95.08601	30.9
97.06515	9.7
97.10166	3.9
99.08102	7.4
105.07022	25.8
107.04926	4.2
107.08578	32.5
109.06504	16.6
109.10164	18.5
111.08106	4.1
117.07019	2.9
119.08572	36.0
121.06493	16.6
121.10140	69.5
123.04420	23.5
123.08049	30.3
123.11693	5.6
125.09621	6.0
129.07019	3.5
131.08582	9.8
133.10117	30.7
135.08054	14.6
135.11694	29.4
137.09648	6.8
137.13226	3.9
142.07771	4.3
143.08548	10.3
145.06490	9.5
145.10110	29.9
147.08055	6.6
147.11664	14.8
149.09610	6.9
149.13300	6.2
151.07538	3.3
151.11176	6.0
156.09286	4.4
157.10139	14.4
159.08092	6.2
159.11676	16.7
161.09605	8.0
161.13249	10.2
163.11163	83.5
163.14796	5.6
169.10144	6.4
171.11684	14.2
173.09573	5.6
173.13298	18.6
175.11238	6.1
175.14803	34.0
177.09138	3.6
177.12726	12.9
183.11659	9.2
185.13266	8.4
187.11180	7.8
187.14828	3.5
189.12738	5.4
191.14227	14.8
193.12210	4.0
193.15849	19.8
195.11757	5.6
197.13316	14.3
199.11253	6.7
199.14798	4.4
201.12727	10.0
203.14291	13.8
209.13383	4.4
211.11185	5.0
211.14754	4.1
213.12675	3.2
215.14314	8.2
218.78088	3.1
221.15331	20.5
225.12593	3.8
225.16339	3.6
229.15848	6.2
239.14281	4.4
241.15825	12.4
255.21085	15.5
259.16913	4.5
269.18939	11.1
271.15344	6.4
273.22107	30.3
279.17456	6.0
297.18463	45.5
301.21701	4.4
313.17822	4.5
315.19504	100.0
316.19995	4.8
319.22476	3.2
331.18796	5.5
333.20572	61.6
335.25647	5.2
347.18045	3.9
374.60001	3.1
375.21606	99.7
376.22055	3.7
410.25363	9.6
554.22443	4.1
555.23175	19.0
729.41125	13.1
735.10498	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	728.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
57.03439	7.7
62.79530	4.2
64.27226	3.5
66.15765	4.1
67.05499	40.6
69.07067	22.6
71.42842	5.3
76.83891	4.1
79.05488	16.2
81.03405	42.3
81.07057	34.1
83.04987	7.3
83.08622	5.5
86.09702	15.8
91.05484	22.2
91.37157	4.4
93.07035	23.3
95.04968	62.7
95.08598	43.7
97.06516	9.4
97.10207	5.0
105.07024	26.9
107.04967	6.3
107.08585	40.9
109.06517	15.8
109.10130	40.8
111.11733	5.1
117.07014	6.6
119.08566	39.8
121.06499	11.9
121.10117	17.0
123.04440	11.1
123.08044	39.5
123.11698	13.4
124.99988	9.4
125.09629	6.7
129.07008	4.7
131.08554	16.2
131.20139	4.0
133.04201	3.9
133.10123	39.4
135.08029	11.6
135.11682	16.3
137.09616	5.1
143.08575	8.8
145.06502	8.2
145.10092	22.4
147.07956	7.6
147.11684	34.6
149.09589	7.5
149.13217	12.5
151.11179	17.9
155.08585	6.2
157.10124	14.4
158.10938	7.2
159.08080	4.3
159.11702	23.4
161.09625	15.2
161.13249	37.7
163.11171	5.1
163.14809	10.6
167.14328	5.4
169.10138	5.0
171.11673	10.6
173.09653	7.6
173.13263	51.7
175.11171	9.6
175.14787	11.8
176.11935	5.2
179.10593	20.4
184.07320	37.8
185.13272	6.5
187.11142	6.3
187.14845	11.7
189.12761	6.9
191.14279	84.2
193.12233	17.6
197.09564	5.2
201.12697	4.7
201.16394	11.4
205.12212	17.0
207.13855	12.4
209.15332	32.4
211.11212	5.9
213.12686	8.1
215.17740	4.4
219.13747	19.6
225.16304	5.7
233.15266	4.9
241.11971	5.2
241.15970	5.1
243.21043	8.2
245.15440	5.1
255.13832	5.2
257.15424	9.8
257.22629	37.6
285.18530	7.0
295.16895	11.8
303.23169	23.4
313.17920	100.0
331.19000	78.0
332.19409	5.0
335.25769	7.4
349.20184	7.4
373.19858	8.3
391.20956	11.4
398.62039	4.1
411.95529	4.9
587.40881	9.5
633.41339	4.5
647.42609	5.3
728.45074	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	728.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05515	15.8
57.03440	9.7
58.60084	1.8
59.21936	1.5
61.02901	4.3
65.03954	2.7
65.06374	1.5
66.13361	1.7
67.05498	46.8
69.07061	13.5
69.07384	2.0
71.04961	3.2
79.05486	20.6
81.03424	3.0
81.07050	53.0
82.36639	1.7
83.08596	11.7
85.02899	2.9
85.06544	5.9
91.05479	8.2
93.07034	21.0
95.04958	3.9
95.08598	74.8
97.02930	2.1
97.06554	3.5
97.10141	4.0
101.10479	1.9
105.07027	8.6
107.08595	10.6
109.10137	19.6
117.07020	3.9
119.08585	7.5
121.10143	9.8
123.11734	3.9
131.08586	4.8
133.10141	7.0
135.11653	9.3
137.09749	1.8
137.13231	2.9
145.10107	4.2
147.11658	3.3
149.13271	4.5
159.11705	3.8
161.13264	11.2
173.13268	3.6
177.16434	1.6
179.14319	5.6
187.14754	2.0
197.15317	2.1
243.21065	4.4
261.22226	12.2
269.17477	3.0
271.19016	100.0
272.19394	3.9
317.24725	4.9
331.19226	2.4
335.25757	93.5
336.26123	4.1
349.20239	9.2
394.36795	1.8
531.40399	86.2
532.40747	5.5
692.45105	1.9
722.29425	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.8
60.78183	5.0
67.05501	35.2
67.64851	4.4
69.07060	8.0
70.59263	7.6
77.32091	4.3
79.05479	17.3
81.07053	29.0
83.08603	4.4
91.05471	7.8
93.07045	18.3
95.08607	20.4
109.10149	10.1
113.00011	5.3
133.10127	7.0
134.98172	11.0
141.13310	4.7
162.84215	4.5
241.05110	5.4
263.23715	5.6
341.50668	4.2
379.12567	5.1
595.46948	6.0
599.50391	100.0
600.50488	8.7
617.45251	32.1
729.43884	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	729.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62561	1.0
55.44268	0.9
57.92682	1.2
70.23853	2.4
78.38910	1.2
80.69660	1.2
85.02908	1.3
92.98926	1.2
98.09666	1.1
108.25616	1.1
119.97706	1.2
136.30357	1.0
141.05333	1.3
145.70471	1.1
169.04765	2.5
172.42058	1.1
227.05298	2.6
233.15216	1.7
287.07416	3.7
299.16492	1.7
377.19373	1.4
389.10519	2.2
395.20477	3.4
406.77927	1.1
431.11816	3.8
437.21503	13.5
465.21167	4.4
479.22314	2.6
516.11328	1.4
530.97302	1.2
557.25604	1.8
581.25641	5.6
599.26685	32.4
600.26752	1.7
628.37878	1.3
641.27722	40.9
642.27618	2.2
643.25732	7.9
685.26794	31.8
729.25635	100.0
730.26617	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	729.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53382	0.5
61.80383	0.5
69.03480	0.6
71.42291	0.5
95.08616	0.7
113.43664	0.5
123.08087	2.1
135.11700	0.6
137.09674	0.7
138.02939	0.6
139.03636	0.9
163.03909	0.8
169.04712	2.9
175.14815	1.1
193.15991	0.6
211.05846	0.6
227.05217	2.6
233.15115	1.2
243.04965	0.6
245.06419	1.1
249.16406	0.6
261.14536	0.6
287.07385	3.9
323.16974	0.6
343.74249	0.6
373.10989	1.0
377.19211	2.8
389.10663	2.0
395.20242	1.6
407.11481	0.8
419.20428	0.9
431.11789	1.9
437.21494	11.7
449.12610	1.3
465.20844	4.3
479.22650	1.2
481.20554	0.7
557.25610	1.2
581.25427	4.5
599.26691	24.7
600.26910	1.3
641.27747	35.7
642.28528	2.4
643.25812	6.7
685.26721	30.1
686.27057	2.2
711.25049	0.9
729.25671	100.0
729.52246	11.9
730.26172	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	729.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.2
81.07059	0.7
85.02906	0.6
90.40762	0.5
103.62218	0.6
105.07037	0.6
107.08613	0.7
128.45226	0.6
175.77275	0.6
185.04140	1.4
201.03717	0.8
207.90614	0.6
301.08920	0.8
317.08313	0.7
331.10144	1.1
347.09491	2.3
357.73679	0.6
363.09097	0.7
379.12320	0.6
379.20944	0.6
387.09534	3.3
405.22565	2.6
413.17813	0.6
419.12064	12.3
420.12753	1.2
437.12863	0.8
444.34006	0.7
451.14841	4.7
452.14764	0.8
469.20236	1.3
493.15253	1.2
494.31531	0.6
567.27716	12.7
574.21576	1.7
606.24133	21.8
607.24353	1.3
729.32941	100.0
730.33179	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	729.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
55.27524	0.7
56.53644	0.7
57.03431	1.6
59.26789	0.6
61.02920	4.7
67.05500	2.0
67.08558	0.7
69.03432	2.5
70.06599	0.9
70.13014	1.9
71.05000	2.2
73.02917	2.4
79.05501	2.9
81.07067	2.8
83.04993	0.8
83.08628	1.8
85.02913	4.8
85.06532	0.8
89.59971	0.7
91.03963	2.6
91.05500	2.5
93.07020	3.1
95.04979	2.2
95.08606	1.9
97.02901	3.1
97.06506	0.7
98.22703	0.8
99.04494	0.9
101.02391	1.8
105.07041	2.0
107.04948	0.9
107.08593	1.5
119.08601	2.0
119.23117	0.5
121.10143	1.7
127.03886	1.3
129.07030	0.7
131.08565	1.4
133.10147	1.2
140.73610	0.6
147.11655	1.8
149.09679	2.4
157.10173	1.4
175.11195	1.7
193.12320	2.5
203.05301	0.8
225.14954	0.8
243.08534	2.8
251.12642	0.8
267.15820	1.1
283.15146	3.2
469.20395	9.0
485.19717	0.8
501.23016	8.7
520.80530	0.7
546.20703	0.9
657.30890	1.4
669.27802	0.8
729.36584	100.0
730.37054	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	729.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49990	23.1
55.05482	22.0
66.77283	20.8
79.05492	27.5
80.41533	21.8
91.05499	23.1
93.07053	28.3
134.98184	65.6
196.39754	24.5
203.71390	21.0
242.51454	24.3
352.70197	26.1
428.82889	26.0
617.44965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01869	8.1
55.05498	7.1
57.03427	6.7
57.07071	8.7
59.04999	1.0
61.02924	6.8
67.05494	4.9
68.99770	5.6
69.03422	47.5
69.07060	32.6
69.23483	4.4
71.01348	3.3
71.04987	6.8
71.08628	4.8
73.02908	7.4
73.06554	6.5
79.05478	1.7
81.03410	42.6
81.07034	1.2
82.83321	0.8
83.01303	2.0
83.04976	8.5
83.08630	1.5
85.02894	99.2
85.10171	2.1
86.03239	1.2
87.00819	47.6
87.04465	1.3
89.05526	1.5
89.06028	17.6
91.03931	2.0
91.05461	1.1
92.02075	0.9
93.03352	0.9
93.07053	1.6
95.04966	5.2
97.02885	49.6
98.23489	1.3
99.04446	16.1
101.02377	2.9
103.03919	5.2
105.01860	40.2
107.04916	1.4
109.02868	65.4
109.06502	1.3
111.00833	0.9
111.04417	7.6
111.11706	45.9
113.02356	1.0
115.03922	2.0
117.01848	3.1
121.02825	1.4
123.04401	7.6
125.02333	5.9
127.03901	100.0
128.04236	1.7
128.82161	0.9
129.01813	5.7
129.05472	2.0
129.12743	53.7
129.97760	1.0
133.06491	1.0
135.04352	1.5
137.05951	2.6
139.03888	3.6
141.05418	1.3
145.04947	18.5
147.02850	3.2
147.04401	2.5
147.06505	2.0
149.71011	0.8
151.03903	7.7
153.01834	1.2
159.02887	11.2
163.03905	2.4
164.04738	1.2
165.05460	4.0
169.04953	12.1
171.02895	4.9
175.03938	1.7
177.03874	1.0
177.05379	1.6
187.05997	7.0
189.03943	16.8
189.05492	1.2
193.04959	5.3
195.02827	1.9
199.16908	10.0
205.47339	1.0
211.06049	3.1
213.03915	17.8
217.04861	2.0
217.17958	11.3
229.07060	1.9
231.04974	25.8
233.06534	2.2
235.06024	2.9
244.99680	1.0
249.06001	9.0
253.07056	2.2
253.19032	0.9
255.04955	4.0
269.06488	1.0
273.06006	46.6
283.40118	0.9
297.05975	2.0
315.07111	4.4
317.05048	0.9
321.06131	1.6
333.08078	2.2
339.06976	6.2
357.08093	6.5
359.16818	1.9
372.26093	1.0
425.07162	1.3
443.08282	6.9
461.09274	8.1
479.10031	3.1
585.72406	1.0
730.32788	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	730.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.6
57.03426	14.4
65.03909	5.9
65.84510	5.2
65.95359	4.4
67.05511	31.4
69.07055	15.8
69.49852	3.8
69.73931	4.5
69.74261	16.5
71.28297	4.5
75.85110	4.6
79.05477	21.2
81.03420	66.4
81.07050	36.5
83.08549	5.5
91.05469	19.8
93.07042	26.7
95.04968	68.7
95.08601	25.0
97.06524	9.5
97.10194	5.2
99.04462	15.0
105.07016	35.2
107.08595	39.8
109.06501	13.6
109.10144	28.8
119.08540	26.4
121.06455	9.4
121.10136	17.2
123.08096	8.0
123.11628	11.3
125.09602	14.1
130.87999	4.7
131.08554	15.7
133.10117	18.5
135.08038	10.4
135.11688	10.0
137.09590	9.0
145.06453	10.5
145.10077	12.0
145.43513	4.8
147.08035	13.5
147.11617	12.8
149.09637	5.0
149.13243	9.5
151.11130	21.9
153.12747	5.4
154.97363	4.9
157.10153	7.8
159.11653	13.4
161.09650	7.9
161.13242	9.8
163.11159	13.8
173.13260	6.3
175.56229	4.8
184.07336	17.8
185.13280	5.9
187.11079	6.7
189.08954	5.9
215.10652	6.4
229.19453	6.3
232.44698	5.2
242.01323	4.9
269.22754	5.9
271.13312	7.9
281.17435	17.7
287.23569	8.3
289.14221	11.6
313.18021	11.7
331.18997	31.7
349.20059	100.0
352.04443	4.9
377.32520	5.8
382.41602	5.2
730.41724	27.7
731.42596	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	730.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.05512	6.3
57.03430	10.6
65.78880	2.0
67.05504	22.4
69.03422	7.9
69.07056	10.1
71.05032	2.6
74.57128	2.2
79.05486	10.2
81.03415	32.8
81.07048	19.6
83.04971	3.1
83.08633	3.1
86.09741	2.8
91.05474	9.1
93.07047	16.3
94.72886	2.5
95.04964	61.1
95.05534	4.4
95.08611	25.1
97.06496	3.0
98.23489	5.9
99.08077	3.0
105.07013	20.5
107.04969	4.0
107.08589	26.3
109.06498	11.7
109.10158	15.7
111.08046	2.1
116.46670	2.3
117.07007	4.5
119.05015	2.4
119.08566	30.1
120.08918	2.3
121.06499	8.8
121.10132	49.2
123.04436	18.7
123.08051	22.8
123.11679	6.8
125.09622	4.7
129.07005	2.6
131.08560	12.7
133.06555	2.6
133.10121	22.2
135.08054	6.3
135.11681	18.1
137.09599	7.0
143.08560	5.2
145.06473	7.2
145.10086	24.4
147.08038	8.3
147.11685	18.9
149.09607	13.4
149.13208	6.3
151.11162	5.8
155.08597	3.4
157.10130	9.2
158.93381	2.4
159.07954	3.4
159.11717	19.0
161.09622	9.9
161.13264	16.7
163.07512	2.7
163.11177	56.6
163.12459	4.5
163.14833	2.7
165.09088	2.9
165.12709	5.1
169.10127	4.4
171.07988	3.3
171.11604	11.4
173.09619	5.7
173.13245	31.6
175.11198	4.5
175.14818	33.0
177.09119	5.0
177.12759	10.9
179.07288	2.7
181.10124	3.6
183.11688	4.7
184.07332	9.1
185.09595	6.3
185.13266	6.1
187.11150	6.1
187.14801	8.0
189.12735	5.6
191.14268	4.8
193.12303	10.7
193.15935	28.7
195.11792	5.3
196.12511	2.7
197.13240	9.8
199.11177	5.2
199.14819	2.8
201.12779	5.5
201.16496	5.1
203.10753	3.7
203.14273	10.7
205.12105	4.4
207.13782	6.5
209.13333	4.4
211.11070	4.6
211.14772	4.9
213.12686	4.8
213.16307	3.4
215.14377	4.8
217.12234	2.9
219.13942	2.8
221.15376	17.4
223.14641	2.5
225.16373	3.9
227.14464	3.5
229.15839	10.2
233.15501	4.8
235.14726	4.2
239.14191	4.0
241.15852	7.1
243.13812	3.7
243.21046	3.7
244.08723	2.3
247.16840	13.9
253.15889	5.6
255.17297	3.3
257.11258	2.3
257.22620	22.7
259.16901	4.7
269.19000	11.8
271.17114	5.9
273.18433	2.6
279.17413	6.1
285.22180	3.2
287.19876	2.7
289.17764	4.0
297.18454	47.6
298.18945	2.7
303.22986	11.0
307.18988	6.4
315.19528	100.0
316.19843	7.2
333.20557	58.8
334.20779	4.4
341.20813	14.6
349.20013	6.2
351.21414	4.0
367.20871	3.2
375.21667	65.9
376.22119	5.5
378.50293	2.4
410.25623	11.6
413.19241	7.5
559.02844	3.0
561.34052	2.8
571.41089	3.4
589.42175	7.1
591.43616	2.7
617.42090	4.0
635.42950	14.2
649.45441	2.8
731.29199	2.6
731.41174	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.1
57.03434	6.5
57.07060	2.8
67.05496	25.5
69.03408	4.2
69.07062	13.5
69.87302	5.8
70.47321	2.5
78.61552	2.1
79.05487	8.1
81.03413	39.0
81.07048	28.7
83.04954	2.9
83.08603	14.4
85.06542	2.7
86.09699	3.3
91.05465	15.4
93.07025	18.7
95.04964	41.2
95.08607	22.9
97.06517	8.2
98.22820	3.5
99.04437	15.8
105.07025	23.0
107.08596	29.9
109.06511	10.5
109.10150	23.7
111.08054	5.9
117.07027	4.6
119.08582	45.6
121.06499	2.7
121.10152	22.7
123.08076	5.3
123.11720	8.0
125.09618	13.1
129.07031	3.7
131.04936	3.5
131.08549	11.0
133.06538	3.7
133.10112	22.6
135.08022	4.1
135.11685	7.9
137.09610	5.7
137.13242	2.9
143.08551	9.5
145.06488	5.3
145.10118	21.7
147.08006	7.8
147.11639	8.9
149.09592	6.3
149.13188	4.6
151.11185	11.1
156.09415	2.7
157.10112	16.0
159.08081	2.5
159.11682	31.0
161.09605	8.8
161.13252	14.9
163.11224	5.6
163.14746	4.3
165.12744	3.5
169.10072	2.7
170.10867	2.6
171.11684	12.0
173.09596	4.7
173.13226	14.7
175.11133	3.1
175.14816	9.9
179.07066	2.7
184.07344	11.0
185.13281	8.8
187.14813	12.4
189.08928	3.7
189.16447	4.3
191.14192	3.4
197.09729	2.6
199.14815	8.8
207.10156	5.0
211.14946	3.5
213.16367	13.2
215.17796	4.0
225.12814	2.8
235.31604	2.4
269.22659	23.2
271.13333	4.1
271.16275	2.9
281.17517	12.5
285.18521	3.7
287.23645	12.7
289.14282	8.8
313.17758	6.2
331.19119	24.2
349.20084	100.0
350.20410	4.0
569.09412	2.6
730.40472	6.0
731.42377	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	730.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09822	1.4
55.05508	12.9
57.03433	3.6
57.07057	3.3
63.37806	1.8
67.05506	22.8
69.03414	1.6
69.07068	8.7
69.56001	5.7
71.04973	1.4
71.08628	1.8
79.05489	15.4
81.03417	16.0
81.07052	41.5
83.08617	7.4
91.05463	15.4
93.07034	24.4
95.04964	18.6
95.08024	2.8
95.08602	39.8
96.08939	1.3
97.06529	2.6
97.10158	3.5
99.04432	6.2
103.69832	1.4
105.07019	36.6
107.08598	25.1
109.06530	2.9
109.10153	26.2
117.07032	7.2
119.08567	34.7
121.06506	2.6
121.10146	20.7
123.04446	2.0
123.08058	1.9
123.11671	10.3
125.09627	7.1
128.06253	2.8
129.07004	15.7
131.08569	18.1
133.10114	20.7
135.08022	2.2
135.11699	10.4
137.09671	1.9
137.13266	2.3
141.06985	2.3
142.07776	5.1
143.08571	15.6
144.09367	2.7
145.06503	2.1
145.10117	30.9
147.08087	2.4
147.11676	23.1
149.09622	2.4
149.13252	9.3
151.11179	5.9
156.09378	5.2
157.10120	21.8
158.10893	3.4
159.08121	2.0
159.11702	28.8
160.12450	2.0
161.09663	1.8
161.13248	42.0
163.11130	2.4
163.14801	10.5
169.10129	3.7
170.10875	3.5
171.11674	37.9
171.13057	2.9
172.12158	1.5
173.09615	2.0
173.13255	21.5
175.11197	2.0
175.14796	15.8
177.09007	2.2
177.16432	1.7
179.14342	8.3
183.11691	2.3
184.07335	3.0
184.12465	4.1
185.13213	11.3
187.14815	17.6
188.15588	3.6
189.16374	11.6
191.14334	2.7
199.14828	37.5
200.15353	2.1
201.12657	2.0
201.16364	18.0
203.14539	2.3
205.08450	2.2
207.10010	1.9
213.16345	37.6
214.17033	5.0
215.17865	2.1
227.17912	8.0
229.19469	2.4
241.19455	3.8
257.22601	20.7
269.22620	100.0
270.22961	6.1
271.13181	2.3
273.13327	1.9
281.17499	2.7
287.23706	18.2
289.14264	2.7
313.17801	3.9
331.19073	10.4
335.25919	2.2
349.20062	47.3
350.20316	2.4
617.41241	1.7
730.41040	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84683	0.6
61.02914	0.7
67.05505	1.4
69.03438	1.9
69.91792	2.0
81.03427	0.9
81.07055	1.0
85.02891	1.2
88.90849	0.7
96.34258	0.6
97.02858	0.8
119.08570	0.9
122.06058	1.1
139.73793	0.7
185.04285	1.0
203.05296	0.9
227.11768	0.8
275.07642	0.9
316.01328	0.9
327.10782	0.8
347.09567	1.4
400.16745	1.1
407.24127	1.5
413.17905	0.7
427.19229	0.8
457.20279	3.2
471.21826	6.4
487.21683	1.5
493.15195	1.1
569.29327	13.0
570.29883	1.5
608.20673	0.9
619.26068	1.6
633.27338	5.6
641.31396	1.9
699.26709	1.1
713.33594	1.6
731.34650	100.0
732.35199	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	731.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70242	0.4
67.05500	0.9
69.07079	0.8
69.28963	1.6
73.77855	0.4
79.05511	0.5
81.03433	0.8
81.07062	1.2
93.07059	0.6
95.04990	0.8
95.08608	0.7
98.89236	0.4
105.07063	0.6
109.10162	0.6
121.10155	0.9
131.08514	0.5
133.10138	0.8
135.11749	0.6
151.11230	0.5
163.11177	0.6
173.13301	0.4
184.07361	0.8
193.15985	0.6
221.15457	0.6
222.16101	0.5
259.53741	0.4
315.19379	0.6
333.20599	0.6
341.20853	28.1
342.21326	1.4
353.17172	4.3
376.22235	0.5
413.19324	13.1
414.20221	0.6
416.28964	0.6
453.20529	0.5
561.33685	1.0
580.26813	0.6
731.41284	100.0
732.41724	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	731.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44388	0.5
53.03940	0.7
55.05508	1.5
57.03432	2.1
61.02929	6.3
66.14513	0.5
67.05502	5.7
69.03432	2.9
69.07071	0.8
69.94314	1.8
71.05001	0.8
72.60638	0.5
73.02923	3.7
79.05496	2.2
81.03426	1.3
81.07056	6.0
83.08593	0.6
85.02896	6.1
87.04441	0.6
91.03969	3.6
91.05500	1.9
93.07040	3.5
95.04980	0.7
95.08601	3.6
97.02890	4.6
97.06549	0.7
101.02387	1.8
105.07040	1.0
107.08590	2.1
109.02897	0.6
109.10138	1.4
115.03925	0.8
121.10165	2.0
127.03955	2.4
131.08531	0.6
133.10181	0.9
135.11726	1.2
147.11633	0.6
149.13298	2.1
152.53685	0.4
152.62517	0.6
159.11739	0.7
164.34589	0.7
185.04202	0.7
235.13118	1.8
237.85127	0.5
243.08536	2.4
326.32214	0.5
354.28491	0.7
413.42645	0.6
453.21118	5.0
519.29315	8.9
520.29523	0.6
731.43335	100.0
732.43793	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	732.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.07072	32.6
59.04993	1.1
61.79250	0.7
69.07056	3.1
71.08624	24.9
73.02898	1.1
73.06555	10.8
83.04977	2.9
83.08619	2.0
85.10178	17.0
85.10692	0.8
87.04471	10.7
89.06025	100.0
91.07575	1.5
97.10143	3.5
99.11717	3.2
107.07063	3.6
111.11730	2.6
113.13263	2.5
113.94037	0.6
117.09114	8.7
127.14863	1.0
130.08606	1.9
131.07050	2.2
133.08592	45.2
135.10114	0.7
146.56886	0.7
161.11719	2.1
169.19461	3.3
175.09660	1.6
177.11206	21.1
180.44421	0.7
196.07306	1.3
213.22127	3.5
221.13835	3.1
239.14951	0.9
257.24756	7.1
283.17535	0.9
301.27405	4.0
309.19177	0.9
512.35901	0.9
517.18536	0.7
547.33124	1.1
715.51276	2.1
732.54443	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	733.21
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92529	0.6
69.10822	3.5
77.23363	0.6
102.28214	0.6
105.83258	0.5
110.83243	0.6
111.04198	0.5
121.58321	0.5
127.03890	0.7
190.73422	0.6
209.31955	0.6
209.58838	0.6
529.66760	0.7
702.20898	0.8
733.20935	100.0
734.21234	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	733.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14404	0.9
70.06573	2.3
70.94082	1.0
71.42856	1.1
85.02892	1.6
85.06057	0.9
93.07014	1.1
94.06557	1.5
95.53074	1.1
104.74087	1.1
108.08112	1.7
122.06010	2.4
132.36952	1.0
136.07521	1.3
146.05977	1.5
148.07561	2.7
157.50755	1.1
166.08589	1.4
187.55014	0.9
190.04919	1.7
210.14880	1.3
222.11403	1.2
223.08646	1.3
223.12187	1.4
224.10844	1.1
224.13005	1.1
225.10229	1.8
235.08586	2.4
236.09415	2.1
237.10239	2.3
237.13925	3.1
238.10951	2.3
239.11768	3.9
248.10576	1.6
248.12996	1.4
249.10271	3.0
250.10941	7.1
251.11772	20.6
252.12569	4.2
253.13397	1.3
263.11694	2.7
264.12482	1.5
265.09866	3.0
265.13330	26.8
266.10510	3.3
266.14020	2.5
267.11298	1.5
267.15048	2.3
271.24261	1.3
276.10110	1.4
278.10370	2.4
279.11234	9.3
281.12744	2.3
282.09882	1.5
293.12741	10.1
296.11456	2.1
297.12234	2.6
309.12286	3.0
311.10318	2.1
311.13831	23.6
312.14194	1.3
313.15469	2.5
321.12375	7.7
339.13345	12.9
353.14810	1.1
369.14331	1.9
371.15988	19.7
409.14230	1.9
411.15295	5.6
425.13312	1.9
427.14923	16.6
428.15350	1.7
438.23392	1.2
440.12042	1.2
453.12903	3.1
454.13416	1.4
455.14438	37.1
456.14645	2.6
485.15521	5.8
487.17075	100.0
488.17456	6.4
532.20496	3.3
548.20050	1.2
576.19952	5.4
578.20709	1.9
580.23016	13.2
608.22162	5.3
610.23053	1.6
701.27240	2.4
733.35767	9.0
733.55475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	5.9
69.76263	1.2
69.76604	2.5
81.33203	0.9
84.26619	0.8
86.04999	0.8
91.34579	0.8
92.34477	0.8
93.07002	0.8
94.06549	5.4
100.67480	0.7
104.17548	0.8
108.08083	1.9
120.04491	1.0
120.08064	1.6
122.06018	13.6
131.73470	0.8
134.05971	2.6
136.07578	4.8
146.05992	1.9
148.07542	6.4
164.07062	3.3
166.08589	4.0
190.05040	1.0
204.06496	1.2
210.11305	1.1
211.12311	1.0
214.75310	0.8
221.10698	1.4
222.11482	2.6
223.08659	9.4
223.12245	4.0
224.09341	1.1
224.12874	1.5
225.10188	18.9
225.13718	1.2
227.11671	2.4
234.11488	1.0
235.08691	3.4
235.12202	1.6
236.09460	2.8
237.10211	9.1
237.13881	5.4
238.10925	6.4
239.11705	9.0
240.12434	1.4
241.09686	1.8
247.12329	1.8
248.09209	1.6
248.10834	1.5
248.13007	1.4
249.10181	10.7
250.10944	14.8
251.08061	6.3
251.11765	36.7
252.12453	8.1
253.13324	2.7
262.08420	1.0
262.11078	1.3
263.07877	0.9
263.08658	1.1
263.11737	22.1
264.08911	2.1
264.12491	11.3
265.09778	7.4
265.13318	46.1
266.10419	2.4
266.13977	4.5
267.11050	1.3
267.14896	3.8
275.11868	1.8
276.10037	1.3
277.09714	4.2
277.12848	1.2
278.10449	6.7
279.11237	14.1
280.12119	1.2
281.12753	3.2
282.09750	2.6
283.10770	9.6
283.13910	1.4
285.12314	1.0
291.11292	6.6
292.11981	1.0
293.12787	15.8
294.13763	1.6
295.10654	2.9
295.14172	1.6
296.11554	6.0
297.12363	4.8
298.12964	2.7
309.12265	24.3
309.15918	1.2
310.13022	1.8
311.13837	42.0
312.14435	3.1
319.10651	2.8
320.11441	1.0
321.12216	5.0
330.15826	1.1
337.11758	6.4
338.12610	6.4
339.13391	10.6
344.13754	1.9
353.15173	1.5
356.13522	1.2
357.14325	1.7
358.15448	1.3
360.16898	1.0
369.14392	16.5
370.15167	2.3
371.16013	29.6
372.16833	2.8
382.15152	0.8
386.18573	1.0
387.16391	1.4
409.13681	2.0
410.14642	1.9
411.15677	1.0
412.12460	3.5
414.17896	2.8
416.19565	2.4
425.13336	12.3
426.14029	2.0
427.09476	1.4
427.14969	19.2
428.15460	1.2
432.19232	9.7
434.20676	5.4
436.12302	2.1
437.13394	2.2
440.12061	1.1
441.12296	1.1
442.17368	2.0
446.20670	1.0
447.45132	0.9
453.12891	9.1
454.13693	3.3
455.14444	19.7
460.18787	10.8
469.15741	1.1
473.15652	1.9
474.19962	1.2
478.19464	5.5
485.15485	28.5
486.15952	2.9
487.17041	46.1
488.17136	2.0
492.21552	1.1
530.19073	4.1
532.20630	9.7
548.20404	7.6
552.23053	2.3
558.18878	3.9
576.19678	86.4
577.19965	5.1
580.22809	15.1
590.21344	1.1
608.22308	100.0
609.22601	5.5
701.28113	12.3
733.35004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88184	0.5
67.05495	2.6
71.42593	0.5
91.05496	0.5
91.35499	0.5
94.06573	3.0
95.05030	0.6
95.08619	0.6
97.02914	0.6
108.08109	0.5
116.51082	0.5
120.04475	0.8
120.08097	0.8
122.06015	6.0
134.06058	1.5
136.07559	3.1
138.09258	0.6
146.05991	0.6
148.07584	1.6
164.07083	1.7
166.08621	1.8
211.08650	0.6
213.10310	0.5
221.10747	0.6
222.11470	0.9
223.08659	4.1
223.12334	1.0
224.09274	1.0
224.13045	0.7
225.08107	0.5
225.10204	11.0
225.12247	0.9
225.13837	0.6
235.08739	2.0
235.12222	0.7
236.09497	2.0
237.10207	4.0
237.13858	2.6
238.10974	3.4
239.11786	3.7
247.12337	0.5
248.09315	0.5
248.10898	1.1
248.13071	0.6
249.10118	4.1
250.10962	5.9
250.12961	0.5
251.08144	3.1
251.11769	17.6
252.12570	3.4
253.13387	1.1
263.11804	9.2
264.12408	2.8
265.09930	2.6
265.13318	21.5
266.10629	1.5
266.14053	2.8
267.11417	1.3
267.14957	1.6
276.10107	0.7
277.09808	1.4
277.13196	1.0
278.10474	3.7
279.11267	7.4
280.11716	0.6
281.12885	1.7
283.10788	4.8
284.11401	0.9
285.19986	0.5
291.11273	3.3
292.11670	0.6
293.12808	8.7
294.13708	0.6
295.11102	0.6
295.14716	0.8
296.11508	4.5
297.12399	3.8
298.13144	1.9
309.12286	10.1
310.13153	1.3
311.13882	22.9
312.14453	1.4
319.10730	1.3
321.12146	1.2
337.11823	1.8
339.13461	2.3
344.13968	0.6
353.14972	1.5
357.14700	0.7
369.14386	9.8
370.15109	1.8
371.15997	16.9
371.20551	1.0
372.16754	1.4
385.17926	0.7
386.18753	0.9
409.14041	1.0
412.12796	2.0
413.13486	0.9
414.18256	1.8
423.12024	0.6
425.13367	7.3
426.14215	1.3
427.15002	11.9
432.19308	3.3
434.20901	1.7
441.13016	0.6
442.17795	0.9
453.12830	3.0
454.13574	0.8
455.14383	3.8
460.18744	1.3
473.15909	0.7
474.20370	3.1
478.24155	1.3
485.15500	19.6
486.16064	2.7
487.17087	33.1
488.17490	1.8
492.21167	0.8
530.19354	1.3
532.20746	3.7
548.20154	3.9
558.18781	0.9
576.19843	9.1
577.19672	0.9
580.22485	1.3
590.20972	0.7
599.28546	0.9
608.22357	100.0
609.22668	7.7
611.24774	0.6
701.27734	1.2
732.38281	1.0
733.34204	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	733.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
61.99828	0.3
63.02367	0.6
67.05500	0.4
67.87881	0.3
70.06557	0.4
71.05013	0.3
72.08157	3.2
79.05505	0.4
81.07058	2.8
85.02906	0.5
89.03910	6.5
91.05508	0.6
93.07037	1.0
95.04947	0.6
95.08593	0.6
96.73486	0.3
97.07647	1.5
105.07011	0.4
106.04189	0.6
107.08601	0.4
114.10282	2.9
117.03373	18.8
118.03748	0.5
119.70079	0.3
121.06526	0.4
121.10143	0.8
123.11720	1.8
124.05188	0.3
127.03972	0.3
130.06555	0.4
134.03616	1.3
135.04402	0.9
139.07538	0.3
140.35622	0.3
145.02840	48.9
146.03209	1.4
149.05968	6.7
149.09636	0.4
151.11165	0.5
152.04672	0.4
163.03918	0.9
164.98805	0.3
169.12271	1.2
176.84961	0.3
177.05461	100.0
178.05779	3.9
186.05505	0.7
187.13277	0.6
190.12259	0.9
195.06511	8.6
273.20413	0.9
326.17081	9.2
327.17361	0.5
334.23758	1.4
335.23962	2.1
339.10501	0.4
345.17041	0.7
361.15021	1.0
489.24179	0.4
537.19635	3.5
552.88037	0.3
571.32581	0.8
670.49036	0.3
733.38324	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	733.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26447	1.1
93.07029	1.4
96.12946	1.2
115.65230	1.2
116.06199	1.3
121.10168	2.1
126.64411	1.1
162.95758	1.2
184.07318	1.6
195.00371	2.4
214.41954	1.2
229.75429	1.2
288.29578	1.3
343.22433	36.8
353.17358	3.9
405.47647	1.1
413.19321	23.6
561.37689	2.2
656.59149	1.5
733.42670	100.0
734.43311	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	733.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69006	14.2
67.05507	38.6
69.19423	100.0
75.81169	13.4
77.92466	13.7
81.07041	18.9
89.08165	14.2
98.23424	35.9
114.46306	15.2
130.40457	15.1
134.98170	49.1
140.44894	21.7
490.23206	18.3
508.30603	19.3
621.48370	70.7
733.47174	20.4
741.13159	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	734.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03428	1.0
65.71214	0.4
69.03423	2.0
70.54436	0.8
71.04979	2.3
76.16441	0.4
81.03393	0.8
85.02898	4.0
89.03897	2.1
97.02895	4.7
99.04438	0.6
106.06544	0.5
117.03368	6.0
127.03914	0.7
129.05473	0.4
134.03668	0.4
145.02838	21.1
149.05988	2.0
151.08669	2.1
160.06409	0.6
161.07120	0.6
163.03865	1.2
173.07097	7.9
174.07785	0.7
177.05458	32.1
178.05797	0.8
184.73340	0.4
186.07907	0.5
187.08653	1.6
191.08138	61.5
192.08481	1.7
195.06477	1.2
205.09671	3.4
214.09669	0.4
215.08090	2.1
232.10751	5.3
233.09192	63.4
234.09514	1.7
250.11850	100.0
251.12216	2.5
265.11951	1.2
274.11859	0.5
275.10226	1.1
279.08572	0.4
292.12933	1.1
299.10211	0.6
339.10712	11.1
340.11331	0.4
341.11050	0.7
358.13821	0.8
376.14999	1.2
396.17380	2.4
412.17111	1.3
426.16553	0.6
467.61145	0.4
490.67300	0.5
536.53656	0.4
587.98224	0.4
588.21790	4.9
588.82092	0.4
729.07446	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	734.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
55.60948	0.2
56.58221	0.2
57.03447	0.2
57.07096	0.2
60.72003	0.2
63.02388	0.8
67.05503	0.7
68.67916	0.2
69.03409	0.2
71.04980	0.2
76.36539	0.2
78.04704	0.4
79.05485	0.3
81.03418	0.6
81.07055	3.1
85.02894	0.5
86.12803	0.2
89.03909	6.7
91.05472	1.1
93.07052	0.6
95.04951	0.6
95.08587	0.6
97.02881	0.2
97.10162	0.2
103.05473	0.6
106.04150	0.4
107.08601	0.2
109.06511	0.2
117.03369	19.7
118.03709	0.4
119.04929	0.8
122.93784	0.2
123.11700	2.3
131.04935	0.5
133.06558	0.2
133.10127	0.4
134.03644	1.3
135.04445	1.1
137.05969	10.6
145.02835	47.5
146.03137	1.0
146.63422	0.2
147.04407	1.0
149.05966	6.6
151.03859	0.5
151.11198	0.6
157.06413	0.3
160.05190	0.2
161.05933	0.4
163.03925	0.6
163.07547	0.9
169.12231	1.6
175.07559	1.8
177.05450	100.0
178.05791	2.4
181.04912	0.6
186.05464	0.5
187.13290	1.0
189.09039	0.3
205.08635	1.3
217.08508	0.4
229.08565	0.3
235.09573	0.6
326.16876	0.2
339.10614	0.5
345.16815	0.8
361.14685	0.7
369.08121	0.3
441.63049	0.2
487.17441	0.2
495.58905	0.2
537.19659	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	734.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15463	0.2
63.02386	0.6
67.05506	0.4
71.47674	0.3
78.04709	0.5
81.07053	2.1
89.03910	5.0
91.05457	0.4
93.07084	0.3
95.04977	0.3
95.08597	0.5
106.04180	0.3
117.03375	18.0
123.11706	1.8
134.03615	1.2
135.04434	1.0
136.60265	0.3
143.51057	0.3
145.02840	45.3
146.03175	1.2
149.05974	6.0
151.11179	0.8
163.03949	0.7
169.12230	1.5
177.05455	100.0
178.05827	2.8
186.05432	0.7
187.13310	0.4
216.95033	0.3
292.76822	0.3
339.10773	1.3
345.16763	0.3
351.06949	0.4
523.68982	0.3
537.19519	2.4
613.44653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
59.54124	0.2
60.21302	0.2
63.02372	0.5
65.70452	0.2
67.05506	0.7
69.03440	0.3
70.81088	0.2
71.04993	0.2
73.06981	0.2
73.20124	0.2
78.04703	0.5
79.05471	0.4
81.07049	3.7
85.02892	0.4
89.03912	7.6
89.04462	0.4
91.05474	0.9
93.07037	0.5
95.08610	0.7
96.01292	0.2
97.02912	0.2
97.10163	0.2
105.07014	0.2
106.04181	0.3
117.03369	22.0
118.03666	0.4
119.04932	1.2
121.06475	0.2
121.10114	0.2
123.11700	2.2
134.03618	1.4
135.04433	1.4
145.02834	54.6
146.03157	0.9
147.04391	2.6
149.05965	7.6
151.11183	0.6
162.03133	0.4
163.03894	0.5
169.12236	1.6
177.05450	100.0
178.05791	2.1
181.04958	1.2
186.05486	0.6
187.13303	1.0
206.70410	0.2
234.16736	0.2
292.69772	0.2
339.10953	0.2
345.16901	0.4
357.44800	0.2
361.14905	0.9
464.19867	0.2
537.19629	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	734.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.83220	0.5
57.03439	2.5
59.04978	0.5
61.02916	2.0
62.35130	0.5
66.53690	0.4
69.03423	3.6
71.01359	0.7
71.04982	4.8
73.02915	13.5
81.03431	0.4
81.48030	0.4
83.04971	4.5
85.02898	11.9
87.04441	1.1
94.40863	0.4
95.41153	0.5
95.71789	0.5
97.02882	2.8
109.02887	0.6
111.04439	2.3
115.03913	2.8
127.03838	0.7
129.05443	2.6
132.04428	0.5
133.04951	1.5
133.62704	0.5
147.06509	1.1
147.60785	0.5
150.09167	0.9
150.74672	0.5
160.07600	0.9
171.06573	0.6
173.07147	1.0
186.07838	5.1
187.08626	4.7
199.08650	1.1
204.08936	1.0
205.09622	0.8
213.10466	0.6
217.09697	5.0
225.07454	0.8
231.09885	3.6
235.10751	55.2
236.11089	1.1
241.09862	0.5
249.12360	2.8
259.10739	2.1
276.13458	2.1
277.11813	45.9
278.12158	1.5
291.94144	0.5
294.14453	100.0
295.14880	2.6
325.64536	0.5
440.20230	2.4
456.19748	30.2
457.20096	1.2
585.24158	0.5
602.25500	4.8
667.50342	0.5
734.21564	0.6
758.97064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
55.01876	7.5
55.05500	5.2
57.03431	7.6
61.02913	4.9
64.67027	1.9
67.05502	8.6
68.99790	4.5
69.03424	46.2
69.07070	3.9
70.93958	2.0
71.01351	3.4
71.04994	5.0
71.63181	1.8
73.02911	6.8
79.05482	6.5
81.03410	47.4
81.07054	34.1
83.04971	9.7
85.02900	98.9
85.36095	1.7
87.00824	39.7
91.05487	8.0
93.07043	5.2
95.04976	6.2
95.08589	11.3
97.02267	3.4
97.02888	44.1
99.04460	14.7
103.03929	5.3
105.01867	38.6
105.07028	15.2
107.08575	11.3
109.02873	59.5
109.10144	9.3
111.04443	7.1
113.02386	2.8
114.62569	1.9
115.03889	2.6
119.08563	12.7
121.02789	2.5
121.10150	6.4
123.04429	6.8
125.02349	6.3
127.03909	100.0
129.01845	5.9
133.10117	4.8
135.11694	2.2
139.03906	4.3
145.04961	22.2
145.10141	2.3
147.04405	3.1
147.06496	2.7
147.11667	12.0
151.03917	8.7
159.02885	10.9
159.04103	2.0
159.11630	3.6
161.13269	4.4
163.03920	2.5
163.14786	18.2
165.05486	3.0
165.12747	2.5
169.04962	10.7
171.02896	4.0
175.14723	3.0
181.04958	2.4
184.07384	3.0
187.05954	9.4
189.03963	16.3
189.05453	3.4
193.04968	8.5
196.07234	2.4
201.16394	5.2
203.17935	56.8
204.18272	3.2
206.62224	2.3
211.06061	2.8
213.03918	16.0
221.19043	5.0
231.04965	28.8
233.06488	2.1
235.06038	5.1
249.06107	7.7
251.54944	2.4
253.07013	3.8
255.04897	2.6
273.06024	54.3
294.94342	1.8
297.06131	2.6
315.07010	7.8
321.05914	2.6
333.08344	2.5
339.06985	7.2
357.08102	5.9
425.06830	2.3
443.08038	5.1
461.09259	10.1
475.08411	2.0
479.09958	2.6
619.18494	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	735.2605
Annotation	Chloramultilide C
Peak:m/z	Relative Intensity
53.03946	0.2
54.82777	0.2
57.03418	0.5
57.18097	0.2
66.21507	0.1
66.23879	0.1
69.03424	1.4
70.69776	0.3
71.01348	0.2
71.04987	2.0
79.05492	0.7
81.03394	0.8
85.02891	3.0
89.03902	1.6
93.07008	0.2
97.02882	4.1
99.04464	0.3
107.04943	0.6
117.03370	2.3
127.03835	0.4
129.05435	0.2
135.04402	4.5
145.02834	4.6
145.05183	0.4
146.06009	0.6
148.07516	0.2
151.06258	0.2
163.03889	37.3
164.04199	0.8
166.08592	1.4
174.05496	2.8
175.06256	2.5
176.06999	1.1
181.04932	1.1
186.05550	0.2
187.06248	0.5
188.07083	2.1
189.07738	0.3
202.08626	0.5
206.08102	61.8
207.08438	1.5
220.09650	3.6
229.09717	0.4
230.08130	0.7
247.10767	1.8
248.09154	76.5
249.09467	2.4
265.11801	100.0
266.12134	3.0
307.08075	0.5
325.09158	8.1
390.89178	0.1
391.14301	0.2
411.17603	0.3
427.17038	1.4
589.20074	1.7
617.25195	0.2
734.46112	0.4
735.45703	0.2
737.05566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.05512	0.2
57.03431	0.8
59.53389	0.1
63.02385	0.2
69.03421	1.8
71.04635	0.2
71.04987	2.6
71.42670	0.2
81.03401	0.5
85.02892	3.2
89.03911	1.8
91.05466	0.3
91.61378	0.2
97.02882	4.2
99.04452	0.3
101.02361	0.2
107.04941	0.6
109.02851	0.4
117.03374	2.1
121.94688	0.1
124.87620	0.1
127.03895	0.3
129.05484	0.5
135.04404	5.6
145.02829	5.3
146.05991	0.7
147.15775	0.2
151.06181	0.2
160.07570	0.1
163.03883	41.4
164.04185	0.8
166.08611	1.4
174.05470	2.8
175.06252	2.1
176.07045	1.2
176.64816	0.2
181.04964	1.1
187.06218	0.3
188.07042	1.9
189.07820	0.3
189.14610	0.1
202.08670	0.5
206.08099	64.1
207.08438	1.9
220.09669	4.1
224.91478	0.2
229.09642	0.4
229.15434	0.1
230.08092	0.8
230.10071	0.2
247.10725	2.1
248.09151	78.4
249.09470	2.5
265.11795	100.0
266.12143	3.1
289.11758	0.3
307.08023	0.5
307.12762	0.3
325.09140	8.0
326.09445	0.3
393.16293	0.3
411.17599	0.6
427.17114	1.1
456.66580	0.2
589.20331	1.7
597.39984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72356	1.1
69.03426	2.3
69.07069	3.7
70.17875	3.0
70.18213	1.3
79.05506	1.5
81.03448	2.1
81.66881	1.1
85.02942	3.1
95.01112	1.3
98.23473	1.6
106.89864	1.4
111.76468	1.4
122.06037	1.8
127.00085	1.5
143.91608	1.5
169.04794	1.5
185.04204	1.6
227.05379	4.9
245.06525	1.4
263.79117	1.4
265.13440	2.2
266.13666	2.0
287.07419	5.3
289.91962	1.3
311.13928	1.8
312.14487	1.5
338.12610	1.3
339.13235	1.3
340.13858	1.5
355.17340	5.3
370.14685	1.4
371.15918	2.6
389.10468	4.5
397.18610	2.8
405.10669	1.2
405.18860	1.7
407.11670	4.7
424.65131	1.5
431.11746	5.1
443.22699	4.2
447.11057	1.5
449.12561	8.0
461.19037	3.4
475.10941	2.3
494.21756	2.3
499.21796	1.6
517.22632	20.0
559.23523	21.8
571.79865	1.6
605.27856	8.9
647.28851	45.5
648.29510	2.9
649.26703	12.0
657.16962	1.7
691.27759	55.2
692.27802	2.2
717.26257	2.5
735.26740	100.0
736.26782	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	735.268
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46642	0.7
81.03409	1.4
98.97608	1.2
159.70284	0.9
163.03928	0.8
167.07008	1.7
173.07858	1.5
187.80855	0.8
189.05205	3.4
203.05341	4.8
207.06255	8.8
223.04582	0.9
227.02223	1.0
233.53966	0.8
244.74025	0.9
249.06158	1.2
267.07013	1.5
269.09985	0.9
309.08142	0.9
371.15323	4.6
384.11694	2.8
387.12610	100.0
388.12848	3.1
538.51172	0.9
580.82092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	27.2
67.05505	59.6
69.07068	14.9
71.42088	5.9
79.05482	64.2
81.03407	8.9
81.07054	50.2
83.04974	10.2
91.05486	50.2
93.07044	75.4
95.04964	22.6
95.08623	19.2
105.07014	35.7
107.08605	19.0
109.10155	13.4
119.08594	20.6
121.10098	10.4
129.06985	15.3
131.08575	9.2
133.10110	9.9
143.08548	12.5
145.10130	9.7
147.11699	31.4
161.13248	12.4
171.11717	12.8
189.12703	7.5
207.13809	22.5
281.17401	46.3
335.25797	56.0
404.27911	9.9
541.38885	100.0
542.38837	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	740.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.8
57.03437	1.2
61.02915	0.9
67.05499	3.0
69.03425	2.4
69.71243	1.4
69.71594	1.8
72.25051	0.6
81.03429	0.6
82.19566	0.6
83.04974	50.8
84.05308	0.7
85.02896	94.7
86.03255	1.1
87.04476	1.5
89.03840	0.6
93.07037	1.0
95.08605	0.8
97.02903	1.6
107.04979	1.3
107.08519	0.7
109.02802	0.8
111.04430	35.6
113.65982	0.7
113.90314	0.7
117.03417	1.1
127.03892	6.7
129.05472	13.5
139.98932	0.7
145.02841	7.2
149.05910	0.8
153.05437	3.7
163.03909	1.9
165.05394	0.6
166.00601	0.7
171.06508	100.0
172.06863	2.3
177.05449	22.1
231.08609	16.0
277.21567	2.7
339.10703	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	740.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05503	1.7
56.96554	1.1
57.03437	4.4
59.04978	0.8
60.78465	0.3
61.02927	2.8
65.03917	0.6
67.05495	0.4
68.13905	0.4
69.03425	5.9
69.29047	1.3
69.29446	1.0
70.06579	0.9
71.01345	1.7
71.04986	9.2
71.41492	0.4
72.92957	0.3
73.02913	19.6
75.04474	1.0
81.03415	0.7
82.26283	0.3
82.63315	0.4
83.04977	7.5
83.08620	0.5
85.02900	24.7
87.04478	1.0
91.05481	1.0
93.06998	0.4
95.04964	1.2
97.02884	6.6
97.06487	0.5
98.23488	0.8
99.04438	0.6
100.11256	1.5
101.06037	0.6
103.03934	0.8
104.04966	0.6
105.04516	0.4
107.04945	18.3
107.05679	0.9
109.02900	0.7
111.04449	4.3
112.22371	0.4
115.03925	5.5
117.05775	0.5
119.04984	0.7
121.06441	0.4
127.03913	1.2
129.05475	4.7
129.68130	0.4
132.04428	4.3
133.05159	7.2
146.06004	1.1
147.06505	2.8
148.07576	1.3
151.03926	2.5
157.05026	0.5
160.07477	0.5
161.04703	2.6
163.03851	0.6
167.75334	0.4
171.06488	0.6
174.05536	0.9
175.06216	0.9
176.07057	17.7
182.15393	0.7
184.00468	1.2
186.99171	0.9
188.07072	0.8
196.07559	0.4
206.08119	3.9
210.09111	1.1
210.14911	1.3
211.09827	0.5
222.09222	2.1
223.09792	0.6
224.07037	0.5
224.10701	0.7
225.00653	0.6
225.07544	2.7
226.08606	0.6
238.08546	1.1
239.09390	1.1
240.06512	0.6
240.10172	1.5
243.01761	5.4
243.08650	0.6
246.00548	0.6
250.08498	1.9
251.09413	1.2
252.06606	1.7
252.10239	0.6
254.08023	0.5
254.11707	1.4
261.02850	3.8
261.09564	0.6
266.08194	1.0
267.08868	9.6
268.09494	1.3
280.09637	0.5
282.11221	49.3
283.11581	1.4
300.12280	100.0
301.12698	3.6
357.02917	0.7
360.01199	0.5
375.03885	1.7
393.04956	0.7
411.06012	2.0
435.88913	0.4
462.17584	11.0
463.17877	0.8
586.55695	0.4
608.23199	0.9
697.52374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91345	0.5
52.81272	0.6
55.05512	6.8
57.03442	1.9
67.05504	3.9
69.03429	1.5
69.23698	2.1
69.24123	2.2
71.01335	0.7
80.02766	0.6
81.07049	1.5
83.04457	1.2
83.04977	48.8
85.02900	98.3
86.03223	1.1
87.00813	1.0
87.04453	1.4
89.03930	0.7
93.07030	1.1
97.02880	1.2
98.23537	1.1
99.04454	0.7
107.04951	1.5
111.04436	36.3
117.03367	1.6
119.08535	0.7
122.11868	0.7
127.03917	6.2
129.05467	14.2
131.91960	0.7
132.36247	0.6
145.02832	7.2
151.03874	0.7
153.05414	4.3
158.06375	0.6
158.07677	0.6
163.03908	2.4
164.35808	0.7
171.06516	100.0
172.06924	1.8
177.05469	20.9
178.05786	1.1
226.08603	0.7
231.08626	17.0
262.83884	0.9
277.21545	1.9
295.22620	0.8
339.10635	5.1
741.51996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.05507	5.8
57.03428	1.8
61.02920	0.7
65.03934	0.4
67.05502	1.8
69.03419	1.0
69.38982	0.8
71.01350	0.3
71.04989	0.3
71.82068	0.2
73.44148	0.2
81.03413	0.4
83.04975	44.0
84.04547	0.2
84.05309	0.4
85.02897	95.7
86.03239	0.8
87.04450	1.1
91.05487	0.8
97.02879	1.0
99.04479	0.3
101.06010	0.4
109.02921	0.2
111.04433	25.1
111.89235	0.2
112.04763	0.2
119.04926	0.6
127.03903	6.6
129.05469	11.9
130.05734	0.2
145.04985	0.5
151.07530	4.0
152.07892	0.2
153.05515	0.2
162.07472	0.2
169.08615	0.8
171.06506	100.0
172.06874	2.3
179.07120	0.2
231.08614	30.8
232.08908	0.6
235.09625	0.2
261.11197	0.3
277.10574	0.2
295.11584	0.2
392.04602	0.2
469.53497	0.2
500.50458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	0.3
55.05508	6.1
57.00399	0.2
57.03433	0.5
59.05012	0.2
61.02918	0.5
65.03941	0.2
68.99788	0.2
69.03423	8.2
69.62598	0.6
69.62965	0.3
71.01338	0.3
71.04972	0.4
71.27090	0.1
72.28299	0.2
72.43596	0.1
73.02916	0.2
81.03419	0.5
81.07022	0.2
83.04974	55.3
84.05310	0.7
85.02903	4.3
87.00823	1.1
87.04471	0.4
89.02396	0.3
91.05476	0.5
93.61923	0.2
97.02892	1.0
98.23403	0.2
99.04436	0.4
101.06004	0.4
103.03920	0.5
109.02868	0.3
111.04433	100.0
112.04758	1.5
119.04951	0.3
127.03902	1.7
129.01831	0.2
129.05464	7.4
143.52583	0.2
145.04987	0.4
151.07510	1.4
153.05453	47.6
154.05809	0.7
171.06512	5.6
175.14806	0.2
213.07555	4.4
231.08614	53.8
232.08975	1.3
255.08624	0.7
261.11182	0.4
375.12915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30070	0.2
53.03943	0.5
55.01869	0.5
55.05507	9.7
57.03442	0.4
61.02906	0.2
62.41097	0.2
67.28358	0.2
69.03429	1.7
71.01342	0.3
71.04983	2.2
71.43521	0.2
81.03403	0.6
83.04976	100.0
84.05311	0.9
85.02888	2.6
87.04463	0.6
91.05474	0.8
97.02885	1.4
101.06004	0.5
106.48494	0.3
109.02901	0.5
111.04435	89.8
112.04793	1.1
113.05987	0.8
119.04948	0.6
127.03894	1.2
129.05466	7.6
145.04967	0.6
151.07529	4.0
153.05504	0.5
163.07448	0.3
167.89609	0.3
169.08580	0.7
171.06508	28.5
172.06903	0.6
179.07117	0.4
189.09137	0.2
231.08615	33.8
232.08948	1.1
237.07555	0.3
261.11182	1.2
273.09753	0.4
294.23816	0.2
315.10748	0.3
375.12778	0.4
376.97739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01872	8.3
55.05505	5.1
57.03224	0.7
57.03434	8.1
61.02920	5.6
64.97401	0.7
65.03923	2.2
67.05505	5.5
68.99779	4.5
69.03424	44.5
69.07028	0.9
71.01347	3.0
71.04988	4.7
71.43769	0.9
72.47583	0.8
73.02924	5.0
79.05486	2.4
79.55246	0.8
80.57222	0.8
81.03413	40.9
81.07047	3.4
81.22489	0.7
83.01339	1.5
83.04977	10.4
83.08612	1.9
85.02898	94.6
87.00822	38.7
87.04463	1.1
91.03957	1.1
91.05464	3.5
93.07039	6.3
95.04965	9.8
95.08587	2.6
97.02886	43.6
97.06541	1.7
99.00864	0.8
99.04447	16.6
99.08102	1.4
101.02370	3.2
101.05987	1.5
103.03923	6.5
103.15633	0.9
105.01857	39.1
105.07020	5.2
107.04905	1.0
107.08582	6.2
109.02871	65.2
109.06519	1.2
109.10173	4.2
111.04440	7.2
111.08077	1.5
113.02358	1.9
115.03902	2.3
117.01825	2.0
119.04941	1.5
119.08562	2.5
121.02884	1.2
121.10096	5.0
123.04411	7.2
123.08083	7.0
125.02348	5.5
127.03904	100.0
129.01849	3.1
129.05492	2.0
131.08549	3.6
133.10126	18.9
135.04413	1.3
135.08011	1.6
135.11708	4.4
137.06012	1.5
139.03871	4.1
139.11166	1.5
141.05453	1.4
145.04950	19.5
145.10133	1.8
147.02849	2.7
147.04401	2.4
147.06494	1.4
147.11665	5.4
149.02292	1.2
149.13269	4.2
151.03905	10.2
151.11166	3.1
152.60530	0.8
153.09070	1.3
158.10896	1.0
159.02888	9.1
161.05991	1.3
163.03915	2.6
163.14790	3.3
165.05440	3.2
165.12785	1.5
167.14279	1.1
169.04953	15.2
171.01604	0.8
171.02823	4.4
173.13203	7.1
175.03851	1.6
177.05476	0.9
181.04919	2.0
187.05992	9.2
189.03926	21.5
189.05458	1.5
191.14301	9.3
193.04956	8.7
195.02905	1.1
207.13777	1.5
209.15349	43.8
210.15784	1.2
211.06013	2.8
213.03935	22.9
217.04955	1.1
224.12077	0.7
225.14894	1.3
227.16412	6.4
229.07066	1.1
231.04974	32.6
233.06580	4.0
235.06012	3.8
249.06056	12.1
253.07080	3.5
253.97026	0.8
255.04968	3.8
259.04474	1.3
269.06400	1.7
273.06027	68.8
274.06311	1.5
285.05997	1.2
291.07065	2.1
297.06235	3.7
315.07126	8.4
321.06061	2.6
333.08035	1.8
339.07114	13.2
357.08124	10.9
425.06961	1.5
443.08191	8.9
457.20438	1.1
461.09149	16.0
479.10294	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	740.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01872	8.1
55.05511	3.1
57.03443	7.2
57.88548	0.8
58.82510	0.9
61.02932	5.5
62.33072	0.7
65.03954	1.1
67.05511	5.1
68.99784	5.0
69.03429	45.4
69.48116	3.7
71.01360	3.0
71.04998	5.1
73.02911	5.5
79.05502	2.9
81.03417	41.4
81.04130	1.0
81.07051	4.7
83.01352	2.3
83.04974	10.9
83.08614	1.2
85.02905	88.0
85.06570	0.9
87.00829	38.6
91.03944	0.8
91.05479	2.4
93.07037	6.9
95.04964	7.7
95.08615	2.1
97.02894	45.5
97.06537	2.9
99.04456	14.5
101.02394	3.1
101.06019	1.1
103.03961	6.9
105.01865	41.3
105.07036	3.9
107.04994	1.7
107.08609	6.1
109.02879	58.6
109.06538	1.8
109.10147	4.2
111.04455	10.3
111.08077	1.3
113.02356	1.9
115.03908	1.8
117.01859	3.1
119.08587	2.3
121.02880	1.2
121.06405	0.9
121.10136	5.0
123.04429	8.3
123.08060	8.6
125.02341	4.7
127.03912	100.0
128.04308	1.5
129.01848	4.3
129.05487	2.6
131.08572	2.8
133.10129	18.2
135.04443	1.6
135.08095	0.8
135.11723	3.3
137.05986	1.9
139.03934	2.8
139.11171	1.1
141.05447	2.2
143.03357	1.0
145.04950	20.5
147.02898	3.0
147.04500	1.9
147.06523	1.7
147.11687	3.9
148.62619	0.8
149.02405	1.5
149.13277	3.3
150.85181	1.0
151.03922	8.1
151.11209	2.7
151.97568	0.8
153.01816	1.5
158.10915	0.9
159.02893	10.2
161.06035	1.1
163.03954	2.2
163.11232	1.0
163.14836	3.3
163.60661	0.9
164.04564	0.9
165.05482	4.0
165.12701	1.3
167.03271	0.8
167.14371	1.2
169.04961	13.5
171.02872	4.0
173.13258	6.9
175.03900	2.5
177.05499	0.9
181.04967	2.0
187.06010	10.4
189.03949	22.4
189.05495	1.8
191.14307	11.8
193.04942	9.8
207.06526	1.1
207.13808	1.1
209.15356	39.4
211.06058	3.0
213.03951	20.0
215.05432	1.9
217.04994	2.3
225.14948	1.1
227.16415	7.7
229.07080	1.7
231.04987	34.4
233.06554	3.1
235.06055	5.0
249.06042	13.1
253.07088	4.1
255.04945	4.2
261.63605	0.9
269.06387	1.0
271.08072	1.0
273.06042	64.9
274.06339	2.2
291.07111	2.3
297.05988	3.9
308.38525	0.8
315.07132	9.8
317.05426	0.9
321.06213	1.9
333.08215	1.9
339.07056	12.3
340.07269	1.1
357.08176	8.8
439.60406	0.8
443.08072	7.9
461.09225	16.2
479.10242	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39203	0.6
55.05504	4.0
57.03425	2.1
59.20719	0.7
59.59478	0.8
61.02910	0.8
65.03936	0.7
67.05483	1.8
69.03419	1.0
69.37080	2.6
69.59652	0.6
83.04234	0.8
83.04462	1.3
83.04974	41.3
85.02898	100.0
86.03232	1.0
87.04447	1.4
91.82200	0.5
97.02876	2.1
99.91544	0.8
111.03668	1.3
111.04439	25.7
119.04922	0.7
127.03914	6.9
129.05472	11.1
133.30312	0.6
151.07533	4.4
171.06511	91.5
172.06853	1.7
172.45116	0.7
212.94403	0.6
231.08611	26.1
261.04715	0.7
535.23279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.6
55.01831	2.0
55.05508	12.0
57.03435	8.1
57.07031	1.5
61.02878	0.8
65.03899	1.6
67.05500	40.6
67.05856	1.4
69.03393	1.2
69.07063	12.2
71.04950	2.0
73.02871	1.4
77.03880	1.2
78.67074	0.5
79.05486	35.3
81.03374	1.4
81.07050	39.9
83.04974	3.0
83.08614	7.6
85.02851	0.9
85.06504	1.3
91.05472	13.8
93.07038	43.9
95.04963	7.8
95.08596	48.6
97.02896	3.2
97.06525	4.9
97.10114	1.8
99.04446	2.4
99.08068	0.6
105.04459	1.4
105.07024	10.8
107.04379	0.5
107.04942	6.4
107.08586	30.9
109.06475	2.1
109.10149	10.7
111.04381	1.0
111.08035	1.8
113.05988	0.5
117.07019	8.7
119.06046	0.6
119.07771	0.6
119.08572	11.3
121.06490	4.6
121.10132	17.2
123.08047	1.0
123.11725	3.3
125.05973	1.8
129.06981	0.7
130.07727	1.1
131.08553	3.9
133.10123	5.3
135.07988	1.5
135.11682	40.4
136.11967	0.9
136.93503	0.5
137.13120	0.6
139.07500	1.0
143.08530	0.8
145.10112	21.9
147.11711	2.3
149.13243	3.5
153.12727	0.7
159.11633	2.0
161.13228	2.2
163.11166	45.9
163.14760	1.6
173.09583	0.8
173.13177	1.8
177.16379	0.7
181.12192	7.1
187.14854	0.9
192.32127	0.6
192.57100	0.4
209.11716	1.3
220.96960	0.5
224.64085	0.6
227.12753	55.2
228.13078	1.4
243.21053	2.1
261.22116	7.7
283.15375	50.7
284.15616	1.4
317.24710	2.3
335.25769	100.0
336.26239	3.7
436.20004	0.5
486.84485	0.6
543.36768	75.6
544.37134	5.4
599.50439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01843	2.4
55.05506	14.0
57.03435	10.8
57.07046	2.0
59.63498	0.6
60.83632	0.5
61.02906	1.3
65.03909	1.9
65.77819	0.5
67.05502	42.2
69.03391	2.0
69.07066	12.4
71.05002	3.1
73.02853	1.0
77.03912	0.7
79.05489	37.4
81.03381	1.6
81.07053	43.1
83.04986	3.4
83.08616	10.1
85.02889	1.3
85.06516	1.3
91.04946	1.1
91.05471	13.9
93.07039	50.0
94.07381	0.8
95.04958	9.8
95.08601	49.2
96.08911	0.8
97.02892	4.1
97.06524	3.9
97.10143	2.3
98.64629	0.6
99.04427	3.5
103.05418	0.6
105.04466	1.5
105.06373	0.7
105.07028	12.4
107.04942	7.0
107.08590	32.0
109.06476	1.9
109.10143	10.6
111.04433	1.1
111.08035	1.9
113.05988	0.6
117.07017	9.0
119.08576	11.9
121.06516	3.8
121.10135	20.4
123.08026	1.1
123.11706	3.3
125.06012	3.0
130.07770	1.7
131.08551	4.4
133.10126	5.5
135.08084	3.0
135.11685	48.6
137.13217	1.7
139.07520	1.1
143.08514	0.8
145.10120	28.6
147.08025	1.0
147.11658	2.5
149.13214	2.3
153.12698	1.0
159.11613	2.1
161.13232	2.1
163.11172	55.5
164.11499	1.2
173.09575	0.9
173.13194	2.0
175.14769	1.5
181.12199	8.7
184.07382	0.8
209.11661	1.6
227.12762	75.2
228.13120	2.2
243.21106	3.0
261.22180	7.4
283.15381	82.3
284.15802	3.0
317.24716	2.7
335.25781	100.0
336.26074	4.9
404.17184	0.6
513.95471	0.6
543.36786	78.3
544.37244	5.7
599.49915	1.9
650.63794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5219
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
67.05505	48.9
69.07071	14.8
79.05489	29.7
81.07052	38.6
91.05466	15.5
93.07031	25.8
95.08584	29.2
105.07013	11.9
107.08567	14.2
109.10129	12.9
113.00015	9.7
119.08572	12.8
135.11694	10.3
138.81758	8.2
157.13309	7.5
171.48535	8.3
188.95634	7.9
325.94183	9.0
597.48071	10.7
611.50354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.81042	0.2
53.03942	0.4
55.01863	0.3
55.05497	0.7
57.03434	2.5
59.05001	0.3
61.02914	0.8
63.55629	0.2
67.05473	0.2
69.03419	1.7
69.98097	0.4
70.06599	0.2
71.01350	0.5
71.04990	12.2
73.02930	1.0
75.04457	0.7
81.03429	0.9
81.07056	0.2
83.04984	3.2
85.02901	17.4
87.04450	0.4
95.04964	0.7
97.02888	1.5
97.06496	0.3
99.04446	0.9
107.04911	0.2
109.02856	0.5
111.00818	0.5
111.04439	2.6
113.06003	0.4
117.05474	0.6
121.02875	1.9
121.06516	0.3
121.14772	0.2
123.04484	0.2
127.03908	0.8
129.05476	4.5
133.02844	0.4
134.48981	0.2
137.02292	0.3
137.05931	0.3
138.69598	0.2
145.04970	0.7
145.06532	0.2
147.04390	0.3
147.06529	1.5
153.01826	2.5
153.05452	0.6
157.06404	0.3
159.06535	0.2
163.06003	0.8
165.01788	1.0
171.06557	0.5
183.02876	0.5
185.05920	0.3
201.07574	0.3
213.05521	0.9
213.07356	0.3
215.98413	0.2
231.06395	0.3
239.09105	1.0
241.04945	0.5
257.10098	0.3
258.05258	0.8
259.05978	0.4
271.06024	0.4
275.11270	0.4
287.05475	100.0
288.05771	3.3
299.05597	0.5
311.05377	0.3
329.06592	1.4
353.06335	0.4
397.09152	0.4
415.10397	0.4
433.10959	1.0
449.10669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03429	0.9
61.02912	0.7
65.03935	5.7
67.05504	1.4
69.03430	2.2
75.28639	0.6
79.05494	0.7
81.03445	1.0
83.04980	0.7
85.02917	2.1
87.00816	0.7
91.05473	15.3
93.03406	4.1
95.04953	1.5
97.02886	76.8
98.03215	0.7
98.22610	1.1
103.05455	0.7
109.02855	1.1
111.04443	0.6
119.04933	28.1
120.05276	0.7
121.02873	1.5
121.06510	1.0
123.04446	1.5
125.02348	1.3
127.03916	1.4
129.06992	0.6
131.04912	0.8
131.08549	1.9
132.02049	0.8
133.02919	0.7
135.04417	0.7
139.03893	1.1
140.04660	1.3
141.06976	2.1
144.05675	2.1
145.02858	0.8
145.06509	0.6
146.03500	0.5
147.04395	24.6
149.02351	8.1
154.06241	2.3
155.04916	0.5
155.07016	1.6
157.03954	3.7
159.08012	2.6
163.03871	0.9
167.03384	39.8
168.03836	0.7
169.06447	2.2
175.03889	44.4
176.04195	0.7
177.05348	0.5
179.07031	2.8
179.72490	0.4
181.04892	2.6
187.07527	3.8
196.05122	0.5
197.05948	2.4
207.06505	100.0
208.06885	1.9
214.06212	0.6
215.06990	3.1
218.09338	1.2
219.06509	2.3
219.10156	3.1
225.05327	0.6
229.04916	0.6
229.08623	6.1
243.06648	1.5
247.09694	4.1
257.08051	3.6
271.05856	0.8
275.09097	14.6
297.33191	0.5
303.08636	4.6
321.09653	25.3
322.10034	1.2
332.27951	0.9
339.10733	4.4
341.50366	0.7
455.11765	1.3
486.70322	0.6
587.15845	4.6
742.38977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05497	0.4
55.36800	0.2
57.01657	0.2
57.03432	1.2
60.37511	0.2
63.02370	0.5
67.01847	0.8
68.99786	0.2
69.03423	2.3
71.04988	7.4
75.04475	0.3
81.03415	3.3
81.07034	0.2
83.04966	0.7
85.02898	9.5
87.00817	0.5
89.03898	4.1
91.05458	1.0
95.04960	0.2
97.02888	4.2
98.09678	0.2
98.22700	0.4
99.04464	1.2
103.05481	0.2
109.02873	5.2
111.04443	0.6
117.03375	15.7
118.03732	0.4
119.04915	0.6
127.03911	3.7
129.05470	1.6
131.04881	0.2
134.03641	1.0
135.04442	1.5
136.76334	0.2
137.05984	1.4
137.13016	0.2
145.02837	47.9
146.03174	0.9
147.04437	0.4
149.05962	5.9
153.94368	0.2
161.05978	0.6
163.03894	1.0
164.09169	0.3
165.05447	1.1
177.05453	100.0
178.05782	2.5
179.07100	0.4
186.05493	0.6
195.06506	4.9
203.07036	0.4
213.03957	0.7
217.08531	0.3
225.09154	0.2
226.09436	0.2
231.04825	0.3
237.07677	0.2
241.08554	0.7
243.06465	0.2
243.10103	0.3
245.07990	1.2
259.09784	0.3
261.07584	0.2
263.09131	0.6
285.07587	0.7
305.10275	0.2
321.09760	1.2
323.11166	0.3
331.11572	0.4
349.09079	0.3
367.10297	0.3
379.10144	0.2
407.09775	0.6
425.10748	25.9
426.11008	1.2
482.86487	0.2
561.15826	0.9
571.16193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77757	0.1
52.77525	0.1
53.03940	0.2
55.01874	0.5
55.05502	0.5
55.43484	0.1
57.03175	0.2
57.03433	2.0
59.04980	0.2
61.02920	1.0
63.02359	0.2
67.05473	0.1
69.03427	3.9
69.18483	0.6
71.01363	0.8
71.04989	4.4
71.71417	0.1
73.02914	8.3
75.04460	0.3
77.03947	0.1
79.05489	0.5
81.03423	1.0
83.04977	2.7
85.02899	8.6
87.04446	0.4
89.03903	2.2
95.04945	0.2
97.02888	6.1
99.04457	0.6
101.02327	0.2
101.05981	0.1
103.03922	0.3
105.06968	0.1
107.04956	1.2
109.02861	0.3
111.04441	1.8
113.05949	0.1
115.03925	2.1
117.03369	3.2
117.05397	0.1
123.04417	0.2
125.05964	0.1
127.03885	0.6
129.05470	2.6
129.06439	0.1
133.04953	1.2
135.04405	8.1
139.03851	0.3
145.02835	7.6
146.03146	0.2
147.06497	1.2
151.03897	0.1
163.03889	100.0
164.02975	0.2
164.04236	1.8
165.05479	0.2
169.04941	0.3
171.06488	0.2
177.05455	0.4
181.04941	2.0
186.05449	0.1
186.80704	0.1
225.07594	0.7
243.08650	0.4
258.07489	0.4
261.09808	0.3
265.06949	0.2
273.07764	0.1
279.10712	0.1
291.08649	0.2
295.08011	0.5
307.08035	0.7
309.09503	0.5
325.09149	23.1
326.09454	0.8
339.10757	0.1
453.13034	0.1
471.15015	0.2
748.35516	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01864	2.3
55.05265	1.2
55.05512	18.7
57.03432	11.5
57.07065	1.6
61.02914	2.9
65.03940	2.5
67.05502	43.4
67.96909	1.0
68.05816	1.4
69.03421	4.0
69.07072	10.9
70.70929	2.1
71.04984	3.6
75.31438	1.0
79.05494	34.5
80.05806	1.4
81.03418	38.9
81.07053	48.8
82.07375	2.1
83.04987	10.8
83.08618	15.5
85.02901	14.7
85.06529	1.6
86.09689	4.1
91.05479	28.1
91.06048	1.6
93.07043	39.0
94.07387	1.7
95.04969	21.1
95.08603	34.3
95.09219	1.8
96.08934	1.7
97.02885	4.5
97.06519	4.3
97.10172	3.3
98.98483	1.5
99.08083	1.3
105.04487	1.9
105.07030	20.2
107.04948	3.8
107.08588	19.7
109.06510	4.3
109.10155	9.8
111.04431	1.6
111.08089	5.4
113.05997	1.3
115.05489	1.5
117.06998	3.7
119.08582	17.5
120.08948	1.1
121.06503	1.8
121.10144	16.7
123.08072	1.9
123.11693	4.1
124.99976	3.7
125.09636	1.2
129.06972	4.4
131.08571	11.1
133.06529	2.2
133.10139	10.4
135.07997	1.2
135.11685	10.0
136.12059	2.2
137.09641	1.6
137.13289	0.9
142.07849	1.7
145.10121	7.9
146.10495	1.4
147.08038	1.5
147.11673	10.5
149.09589	3.6
149.13263	2.3
157.10114	8.7
159.11665	2.8
161.13283	2.4
163.11217	6.0
163.12381	1.2
163.14886	1.4
164.11502	2.0
165.12749	2.2
173.13277	2.0
175.11163	8.9
175.14798	1.7
184.07321	10.8
187.14861	1.3
193.12234	22.0
201.39049	1.1
211.13286	35.1
212.13622	1.3
227.12869	4.8
228.13124	2.0
229.13759	1.0
243.21043	2.9
261.22092	7.4
267.15894	8.1
273.22067	1.5
283.15363	4.2
284.15643	3.4
285.16971	40.1
286.17032	1.3
296.58810	1.1
317.24704	2.2
335.25784	67.8
336.26135	8.8
337.26349	4.5
453.33408	1.1
518.22156	1.3
527.37280	8.7
528.36621	1.2
543.36707	1.7
544.36914	2.0
545.38287	100.0
546.38794	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01860	3.1
55.05507	22.3
57.03437	20.6
57.07072	3.8
61.02922	9.0
65.03928	3.6
67.05501	93.1
69.03420	6.1
69.07065	29.5
69.07439	1.8
69.39687	6.7
71.04988	5.5
73.02927	3.2
77.03926	2.6
79.05489	55.8
81.03413	10.9
81.07052	92.5
83.04977	8.6
83.08607	13.5
85.02901	9.0
85.06550	5.8
91.03972	2.0
91.04985	1.2
91.05473	51.1
93.07040	57.1
95.04963	25.8
95.08601	60.6
97.02889	4.7
97.06521	10.1
97.10165	3.2
99.04424	2.8
99.08094	2.9
103.05490	2.1
105.04524	3.3
105.07023	32.1
107.04955	2.6
107.08587	30.8
109.06528	11.7
109.10155	21.5
111.04436	1.7
111.08111	4.0
113.05956	3.0
115.05449	3.2
117.07017	9.2
119.08572	29.1
121.10125	24.6
121.10972	1.7
123.08044	4.2
123.11722	6.5
128.06194	2.0
129.07008	9.6
129.90179	1.3
130.28815	1.5
131.08569	16.9
133.10123	20.7
135.08084	3.1
135.11673	22.0
137.09592	2.1
137.13216	2.0
142.07744	2.8
145.04997	1.5
145.10135	11.7
147.08104	1.7
147.11676	13.9
149.09634	4.3
149.13278	6.6
151.11162	2.8
153.12770	1.4
154.80902	1.6
155.08578	1.5
157.10132	8.0
159.11723	7.0
161.13261	3.0
163.11200	6.2
163.14793	2.7
165.12770	4.0
169.10052	1.5
173.13292	4.9
175.11154	9.1
184.07391	2.3
187.14844	2.5
193.12216	9.5
211.13232	4.0
227.12805	6.1
243.21068	4.0
261.22125	17.4
261.24680	2.4
267.15845	11.6
283.15314	7.5
285.16943	77.4
286.17316	2.3
303.23410	2.5
317.24847	3.5
335.25769	100.0
336.26303	2.6
337.27194	6.8
377.26736	1.9
435.32568	2.1
453.33679	3.3
471.34955	3.3
503.37091	3.0
527.37439	9.7
545.38385	53.3
546.38458	5.3
563.39130	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
54.58138	1.3
55.01875	2.1
55.05510	22.0
57.03435	16.6
61.02913	5.4
65.03925	2.6
67.05501	70.4
69.03431	4.7
69.07065	17.2
70.03410	3.8
71.04980	5.0
73.26835	1.5
77.03918	1.5
79.05485	50.2
81.03411	48.4
81.03896	2.4
81.07050	66.9
83.04977	11.0
83.08620	22.9
85.02898	21.0
85.06533	3.1
86.09707	3.3
87.58177	1.3
90.91925	1.2
91.03927	1.3
91.05472	47.8
93.06443	2.7
93.07040	51.5
95.04412	2.2
95.04967	25.2
95.08596	46.9
97.02862	4.1
97.06544	7.4
97.10162	4.9
98.09595	1.7
103.58520	1.3
105.04522	2.4
105.07024	30.3
107.04941	5.4
107.08591	26.7
107.17596	1.4
109.06514	7.0
109.10152	18.4
111.04417	2.2
111.08057	6.5
113.05939	2.2
117.07014	6.1
119.08571	26.3
121.10136	23.1
123.08043	2.5
123.11713	5.5
125.00015	2.1
125.09597	2.0
129.06985	8.7
131.08559	18.6
133.10123	18.5
135.11691	11.3
135.56993	1.4
137.09644	3.2
142.07732	1.6
143.08510	1.8
145.10130	8.7
147.11665	14.9
149.09636	6.6
149.13248	5.3
151.11208	1.7
157.10112	10.9
159.11627	3.7
161.13243	2.9
163.11177	1.9
165.12764	3.3
171.11751	1.6
173.13278	4.2
175.11169	10.8
175.14799	2.6
181.12245	1.3
181.79478	1.4
184.07314	7.8
187.14796	2.9
189.16362	1.9
193.12219	34.5
209.15317	1.6
211.13263	44.1
227.12642	1.9
243.20972	3.6
261.22119	9.7
267.15790	12.0
285.13763	2.9
285.16940	50.2
286.17191	1.6
317.24814	3.2
333.23941	1.4
335.25763	90.1
336.26187	3.7
363.25131	1.5
435.32535	3.0
445.59567	1.8
503.37479	1.6
511.50003	1.8
527.37476	11.6
528.38184	1.7
545.38324	100.0
546.38422	6.1
563.39355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
53.49033	1.4
55.01868	2.7
55.05512	27.2
55.72286	1.6
57.03440	16.8
57.07069	2.9
61.02921	3.1
65.03952	3.3
67.05503	60.4
69.03420	4.2
69.07063	19.4
70.15519	1.5
71.04987	5.1
73.02921	2.4
73.64288	1.5
79.05038	3.4
79.05491	51.1
79.05951	3.0
81.03413	55.1
81.07059	61.9
83.04984	17.3
83.08609	23.6
85.02902	21.3
85.06532	3.1
85.81525	1.5
89.98946	1.6
91.04945	2.8
91.05479	41.2
93.07043	46.2
93.55153	1.5
94.07354	1.7
95.04962	23.9
95.08604	39.2
97.02882	6.6
97.06521	6.5
97.10169	6.4
98.22699	3.8
99.08090	3.1
105.04528	3.0
105.07035	30.2
107.04984	7.9
107.08595	23.7
109.06521	9.1
109.10133	14.4
111.04449	2.3
111.08071	11.2
113.06047	2.9
117.07001	6.1
119.08576	23.2
121.10143	21.8
123.08077	2.2
123.11692	4.8
125.09614	2.1
129.07043	12.4
131.08556	19.7
133.06450	2.5
133.10104	15.2
135.11707	8.1
137.09578	2.5
142.07826	1.8
145.10124	8.6
147.08031	3.9
147.11684	16.7
149.09634	6.5
149.13277	5.4
157.10091	14.0
159.11661	4.6
161.13246	3.6
165.12799	3.7
173.13242	2.6
175.11142	11.6
184.07355	4.8
187.14781	2.3
193.12241	44.8
196.07372	2.7
211.13281	70.9
227.12759	2.8
243.20995	3.2
261.22104	10.9
267.15918	15.0
285.16962	80.4
317.24780	2.7
335.25778	88.7
336.26163	2.7
368.00015	1.9
453.33899	3.6
527.37262	14.5
545.38361	100.0
546.38770	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	743.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
67.05515	0.8
68.82919	0.4
69.07062	1.3
70.06586	100.0
71.06931	0.7
71.42982	0.7
74.06076	3.2
74.67852	0.5
75.05600	0.8
76.88253	0.5
79.05492	0.8
84.04522	1.2
84.08125	0.7
85.02917	0.6
86.06068	1.0
86.09698	38.8
91.05495	1.0
93.07042	0.7
96.04492	0.7
98.09673	3.2
103.05470	1.5
105.07019	1.5
109.04019	0.7
109.10146	0.9
111.09193	2.7
113.07140	2.5
115.05006	0.5
115.08686	2.4
120.08097	39.0
121.08443	0.5
125.07133	0.6
126.09126	1.9
127.08663	28.5
128.08983	0.5
131.08177	1.1
131.25867	0.5
132.08066	3.3
135.68542	0.5
137.03485	0.6
138.12775	5.7
139.08627	1.6
141.06604	5.3
143.11789	5.1
153.06566	1.5
155.08138	65.7
156.08458	0.5
158.09294	0.9
159.07655	2.9
160.07582	0.7
167.08160	4.2
170.09241	1.8
171.07605	0.7
171.11279	1.2
172.10811	7.8
177.06322	0.5
177.10237	1.6
181.13336	1.0
183.11267	1.1
184.10742	0.6
188.14302	5.0
189.10216	0.6
194.09293	0.7
195.14922	2.1
198.08681	3.1
199.14467	0.8
205.09790	2.5
206.09254	1.0
209.12845	1.0
211.10791	1.2
211.17929	0.8
212.10309	4.8
215.11497	0.8
216.09760	2.7
222.12422	1.4
223.14360	2.2
227.13928	1.3
229.13042	2.2
233.16534	1.4
234.08664	0.8
238.11839	1.6
240.17039	4.3
243.11264	0.9
245.16454	5.2
252.17058	0.7
255.14857	0.9
260.13898	1.9
262.15369	0.5
265.13763	0.5
266.14963	1.2
268.12961	1.5
268.16504	10.2
272.13696	0.7
273.16010	3.3
274.11615	0.5
280.16562	0.9
283.17645	1.2
285.19104	1.4
288.13275	1.5
291.10788	1.3
295.13947	0.8
297.19153	2.7
300.13428	1.6
301.18924	1.2
302.15057	0.9
308.23245	0.9
314.14847	1.0
317.16022	1.3
318.18234	0.8
319.13904	0.6
325.18707	1.2
329.18253	1.0
331.17691	0.7
345.15491	1.2
352.16165	0.8
356.19772	0.9
363.16711	1.4
385.22363	0.6
387.20367	0.6
387.24088	4.7
408.22186	0.9
413.21622	1.1
415.23499	5.8
426.23221	0.9
429.57928	0.5
430.24445	0.7
431.22806	2.0
438.26978	1.0
444.25827	1.5
448.25491	4.9
458.23917	3.7
465.24628	0.6
472.25656	2.7
476.24887	4.1
489.27777	0.8
516.31738	0.6
529.27509	1.2
540.31384	0.8
544.31390	2.4
545.30811	0.8
555.29352	4.2
568.28595	3.8
573.30005	2.4
581.27478	0.6
584.31738	1.0
585.32996	0.6
594.29761	2.2
602.33118	2.5
612.21545	1.1
612.31335	20.0
613.31647	1.0
628.33582	0.8
630.32391	6.9
636.37286	0.6
681.37646	2.4
697.39978	3.2
698.38312	0.7
707.38483	1.7
715.41174	17.0
716.40839	1.5
725.39771	10.9
743.41144	10.3
744.41119	0.9
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
53.03938	1.3
55.05511	2.5
57.03434	2.9
61.02925	7.9
65.29661	0.9
67.05496	7.7
69.03432	4.1
69.07079	1.8
70.55812	1.8
73.02901	6.0
79.05489	6.7
81.03426	2.7
81.07052	5.2
83.08604	0.9
85.02908	6.8
86.09715	2.3
91.03976	4.7
91.05490	4.2
93.07021	6.2
95.04990	2.4
95.08604	4.6
97.02900	5.1
97.06533	1.0
99.04468	1.0
101.02400	1.5
105.07045	2.5
107.08621	2.8
109.10173	1.7
119.08601	1.9
121.10174	2.1
124.99992	1.7
127.03939	1.4
135.11766	1.0
147.11708	1.8
151.37379	0.9
171.11795	1.3
184.07426	4.2
243.08389	3.3
247.13069	1.2
261.22119	1.4
354.86676	0.9
391.51147	1.1
465.21027	6.0
519.29309	9.6
646.26489	3.3
743.43317	100.0
744.43433	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	744.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.17360	0.1
55.01865	0.2
57.96651	0.1
68.99856	0.1
69.03417	0.1
69.33781	0.1
77.03913	0.3
79.05492	1.3
81.03377	0.2
85.02901	0.3
85.06551	0.1
95.04961	2.0
97.02874	0.2
103.43739	0.1
105.04507	0.9
105.44691	0.1
107.04951	100.0
108.04636	0.1
108.05295	1.5
127.03869	0.2
171.14748	0.1
179.17979	0.1
213.09103	1.4
297.13434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01868	1.9
55.05512	13.9
57.03434	14.4
59.85479	1.7
61.02909	4.7
63.33465	1.7
67.05499	53.9
68.09725	1.9
69.03417	6.3
69.07062	14.3
71.04979	2.8
71.43791	2.3
79.05486	54.1
81.03432	5.3
81.07055	46.0
81.07479	0.9
82.07372	1.7
83.04966	7.7
83.08604	5.6
85.02900	6.6
86.09696	2.1
87.04465	5.5
91.03927	2.0
91.05472	26.2
93.07037	63.3
94.07387	2.0
95.04959	9.3
95.08015	3.2
95.08602	38.2
97.02905	2.1
97.06521	5.3
97.10184	3.3
97.60867	1.5
99.08046	2.5
100.24907	1.6
105.04534	2.4
105.07018	19.5
107.04941	2.7
107.08593	32.6
109.06511	3.8
109.10140	14.6
110.85605	1.8
111.08109	2.7
117.07020	6.8
119.08565	14.0
121.09274	3.2
121.10142	56.6
123.08057	6.7
123.11693	5.6
125.09663	2.8
131.08553	22.7
133.06483	4.8
133.10118	10.9
135.08109	1.8
135.11670	11.9
139.11200	5.1
143.08525	1.8
145.10092	6.3
147.08154	2.1
147.11649	5.5
149.09616	18.5
149.13269	3.6
151.11183	1.9
158.52591	1.6
159.08017	2.4
159.11670	6.3
161.13275	5.2
161.35942	1.7
163.14827	3.2
167.10683	19.4
173.13171	4.8
175.14854	2.1
177.09100	5.9
184.07355	4.7
185.11700	2.6
187.14856	2.4
191.14307	2.2
193.82928	1.5
195.10207	3.9
202.51434	1.6
209.15292	1.6
213.11186	2.6
241.14290	2.6
243.21109	4.7
259.15402	2.7
261.22116	16.4
269.13803	3.2
287.11603	3.1
287.14865	61.4
313.17920	4.0
331.18869	2.8
335.25784	100.0
336.26062	5.5
349.19952	1.9
381.71106	2.0
469.81534	2.4
510.16299	1.7
514.87469	1.8
547.36090	28.2
548.37085	3.5
565.36865	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01865	1.6
55.05507	6.1
57.03430	10.2
57.07062	1.5
57.96277	1.1
65.03928	1.5
67.05499	23.1
69.03434	4.5
69.07065	14.8
69.64772	5.8
71.04992	2.3
79.05483	12.0
80.04949	1.4
81.03407	33.0
81.07048	19.0
83.04972	4.5
83.08610	3.7
86.09671	2.1
91.05463	12.1
93.07027	15.9
94.27980	1.2
95.04959	40.8
95.08597	16.7
97.06528	15.7
98.22697	1.4
99.04443	2.5
105.07021	14.4
107.04935	2.2
107.08580	15.5
109.06499	15.3
109.10147	29.2
111.08058	3.4
111.95068	1.1
113.06013	1.9
117.07004	3.1
119.04899	1.6
119.08568	17.9
121.06489	10.5
121.10136	15.5
123.04397	13.5
123.08057	23.8
123.11711	7.0
125.09623	6.5
128.06134	1.3
129.06999	4.7
130.07707	1.4
131.04930	2.4
131.08554	11.9
133.06483	2.8
133.10109	17.4
135.08047	11.5
135.11662	8.8
137.06009	1.9
137.09601	5.4
141.06973	1.3
142.07779	2.1
143.08554	6.5
145.06467	7.4
145.10109	14.5
147.08040	7.1
147.11659	7.4
149.09659	7.3
149.13277	4.7
151.07562	1.8
151.11157	20.9
155.08513	1.3
156.09239	1.6
157.10120	8.4
158.10881	4.3
159.08044	4.5
159.11673	10.9
161.05942	1.6
161.09607	11.6
161.13217	3.9
163.07567	1.5
163.11171	6.1
163.14801	4.3
167.14345	2.9
169.10051	1.9
169.12338	2.1
171.08008	1.4
171.11644	7.6
173.09595	6.9
173.13246	28.0
175.11140	8.4
175.14806	4.7
176.11894	3.5
177.09070	2.8
177.12697	3.6
179.07025	1.6
179.08571	1.8
179.09062	2.1
179.10638	18.1
179.14122	1.4
181.10120	2.0
183.08092	3.2
183.11690	3.4
184.07321	3.3
185.09639	7.7
185.13226	5.5
187.11227	4.7
187.14796	1.6
189.09094	3.7
189.12744	6.1
191.10611	1.9
191.14291	55.0
192.14580	1.8
193.10306	1.6
193.12192	2.7
197.09550	3.9
197.13303	2.9
198.10477	1.6
199.11215	4.3
199.14857	3.0
201.12704	3.6
203.10652	2.7
203.14261	2.6
205.12201	7.4
209.13359	2.5
209.15335	35.2
211.11183	6.0
213.12741	4.7
213.16324	2.2
215.10579	3.6
217.12241	3.3
219.13771	14.1
223.11115	2.0
225.12796	3.1
227.10588	2.2
227.14297	3.6
229.12134	2.4
229.19505	6.2
231.13794	4.2
237.12582	1.9
239.14268	4.3
241.12056	1.9
241.15858	2.4
245.15364	4.0
247.20541	2.5
251.14542	1.5
252.15004	1.3
253.15866	2.3
255.13696	2.9
255.21074	6.5
257.15292	6.2
263.16095	1.4
267.17377	3.7
269.15442	3.1
270.16125	1.7
271.16766	2.8
273.22089	24.8
275.20026	8.6
285.18491	4.3
287.16434	2.4
293.21021	3.7
295.16864	10.6
301.21573	10.2
305.17429	2.4
313.17932	100.0
314.18259	3.9
319.22604	4.6
331.18982	97.3
332.19373	5.3
335.25931	6.7
336.26111	2.4
340.63995	1.3
349.20062	1.8
365.19568	4.2
373.20084	8.3
391.21130	28.5
408.23651	11.4
409.22021	2.3
418.78998	1.5
503.37152	3.3
547.38531	5.3
745.41241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01877	6.4
55.05516	10.5
57.03444	8.4
58.38645	3.5
67.05510	35.6
69.03419	4.7
69.07064	13.7
69.55972	16.6
71.04993	5.2
79.05495	30.2
81.03418	49.2
81.07056	80.9
83.08622	10.9
87.04441	3.9
91.05482	24.7
93.07047	35.9
95.04965	53.2
95.08614	39.1
97.06549	8.9
99.04459	10.4
105.07039	55.2
107.04964	3.9
107.08605	38.3
107.43373	4.2
107.54204	3.6
108.64496	3.3
109.06541	16.1
109.10139	34.6
111.08116	4.9
117.07031	8.8
119.08575	49.5
121.06506	13.1
121.10117	19.0
123.04453	10.4
123.08078	13.2
123.11673	5.8
125.09639	17.7
128.06216	4.9
129.06999	7.9
130.14767	3.5
131.08556	28.5
133.10153	33.5
135.08040	9.9
135.11670	19.4
137.09628	6.6
142.07825	10.1
143.08589	29.1
144.09396	5.5
145.06444	7.5
145.10141	34.3
146.96042	3.9
147.08052	8.0
147.11688	41.7
149.09651	10.6
149.13245	11.6
151.07553	4.7
151.11159	20.4
155.08592	14.8
156.09288	8.9
157.10078	29.7
158.10876	7.0
159.08066	8.4
159.11684	38.5
161.09619	14.1
161.13283	24.9
163.11205	16.4
163.14856	7.6
163.23143	3.5
167.08589	7.1
169.10164	16.7
170.10959	5.4
171.08041	5.3
171.11716	21.4
173.09702	5.9
173.13263	54.9
174.13605	4.1
175.11205	15.5
175.14848	11.5
177.09210	4.3
177.12778	5.7
179.10721	8.3
179.14301	4.9
181.10216	5.2
183.11696	23.1
184.07365	10.1
185.09579	6.4
185.13216	25.5
187.11201	5.8
187.14867	7.0
189.12776	13.1
191.14290	25.2
193.12268	6.7
195.11742	9.2
197.13271	21.3
199.14865	14.6
201.12683	8.0
203.14330	21.3
207.10153	8.8
207.13817	6.7
209.13557	5.4
209.15373	20.5
211.11307	6.2
211.14816	13.3
213.12726	6.0
213.16409	13.7
215.14354	14.7
219.13815	11.3
221.15392	12.4
223.14867	5.1
225.16316	7.7
227.17973	4.6
233.15387	5.6
241.19458	10.3
243.21021	9.1
253.19473	33.1
255.20934	17.9
263.16629	4.6
265.19489	8.6
271.20557	54.2
273.22177	9.9
281.17554	8.5
283.20572	43.5
284.21027	4.7
289.14407	6.4
289.21643	15.8
301.21613	25.3
313.17999	35.5
319.22577	6.2
331.19049	46.1
349.20078	100.0
559.07397	4.1
744.49689	15.4
745.41333	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	744.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01877	3.4
55.05503	9.9
57.03421	8.2
57.07069	3.2
63.72677	2.9
67.05203	3.6
67.05504	34.3
69.03407	4.5
69.07064	18.1
70.62049	5.1
71.04960	4.8
72.59695	2.7
79.05489	30.7
81.03413	41.5
81.07053	85.4
83.04974	7.0
83.08616	7.0
86.09708	3.7
91.05466	30.7
93.07046	37.7
93.77328	2.7
95.04964	56.8
95.08613	36.3
96.55375	2.9
97.06517	11.4
99.04446	11.0
105.07029	46.0
107.04946	6.7
107.08587	36.0
109.06479	10.4
109.10155	28.0
111.08068	8.7
115.05399	3.0
117.07010	11.4
119.08567	40.8
121.06474	6.8
121.10165	18.9
123.04443	4.7
123.08065	9.8
123.11704	6.8
125.09629	12.9
129.07007	10.5
131.04951	3.9
131.08542	31.1
133.06487	5.6
133.10112	32.1
135.08057	6.1
135.11702	14.1
137.09616	8.1
142.07776	7.0
143.08531	22.2
145.06493	7.6
145.10109	38.8
147.08054	10.6
147.11696	43.1
149.09634	8.4
149.13216	12.7
151.11174	16.7
153.12669	3.2
155.08519	19.2
156.09360	6.6
157.10110	28.4
159.08057	7.0
159.11688	30.0
161.09576	14.6
161.13222	24.6
163.11185	14.1
163.14774	3.9
167.08601	3.8
168.09320	5.8
169.10146	15.6
170.10791	7.1
171.05396	3.5
171.11673	19.2
173.09630	6.0
173.13254	43.4
175.11209	7.2
175.14815	12.2
177.12762	9.5
179.07069	3.8
179.10675	6.9
181.10068	6.3
182.10919	5.1
183.11673	19.4
184.07326	8.4
185.13274	26.7
187.11180	6.6
187.14803	9.4
189.12692	14.7
191.14288	12.9
193.12218	4.0
195.11714	7.8
197.13335	23.2
198.13773	3.0
199.14835	19.0
201.12769	6.7
202.16092	3.9
203.14354	21.5
205.12207	3.7
207.10114	6.6
207.13736	6.2
209.13324	5.7
209.15338	10.4
211.14737	13.5
213.12749	6.5
213.16403	10.3
215.14293	10.3
215.17891	3.9
219.13774	6.8
221.15395	9.0
227.17897	10.7
229.12094	3.8
229.15839	3.6
239.14131	3.3
239.18039	3.5
241.15950	3.0
243.21053	7.7
253.19475	40.3
255.21049	10.0
257.15295	5.9
265.19479	7.1
271.20486	41.1
273.22153	6.1
275.16345	4.3
281.17419	9.6
283.20523	50.3
284.20728	3.4
285.18613	3.6
289.14377	5.7
289.21622	11.8
301.21506	25.0
313.17947	20.2
319.22479	6.2
331.18979	34.1
349.20050	100.0
634.62268	3.2
700.47083	3.3
744.50195	13.3
745.41559	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01857	1.2
55.05510	14.8
57.03435	12.4
57.07065	2.4
59.04992	1.4
60.08161	1.4
61.02910	3.0
65.03925	3.1
66.90284	0.7
67.05502	72.1
68.05828	1.0
69.03433	2.0
69.07068	15.1
71.04990	6.6
71.08644	1.1
73.02922	1.6
77.03926	1.2
79.05489	33.4
81.03410	2.6
81.07052	100.0
82.07397	1.1
83.04970	4.7
83.08609	10.2
85.02901	4.3
85.06538	8.5
86.09724	5.0
91.03965	1.1
91.05476	24.3
93.07041	45.3
94.07337	0.9
95.04955	7.4
95.08603	28.4
97.02886	2.0
97.06534	8.6
97.10175	2.5
98.23518	1.7
99.08073	1.5
105.04500	2.0
105.07023	12.3
107.08590	26.0
109.06516	1.6
109.10153	12.4
111.08083	4.8
116.78470	0.8
117.07001	6.8
119.08585	8.0
121.10146	16.4
123.11692	11.7
124.99997	3.4
125.09634	1.5
129.05484	0.8
131.08563	11.1
133.10130	15.8
135.08067	1.3
135.11693	13.0
139.11137	1.5
143.08594	1.0
145.10118	4.8
147.11725	4.2
149.09683	1.1
149.13257	15.8
151.11179	3.3
157.10081	1.7
159.11696	11.2
161.13300	3.1
163.14769	1.1
169.12245	0.9
171.11748	0.9
173.13268	2.9
175.14748	1.3
177.12741	4.7
184.07343	17.1
187.13281	9.1
187.14836	1.6
193.12238	1.0
195.13718	5.8
213.14810	1.9
228.13844	0.7
241.14352	1.5
243.15906	21.0
243.21051	2.1
261.22125	6.5
269.17453	17.4
285.17062	1.2
287.18494	31.3
287.23495	1.8
317.24631	1.6
335.25790	36.0
336.26199	2.2
361.27158	1.1
437.34073	1.1
503.37277	63.8
504.37607	4.4
510.54660	0.9
529.38904	8.1
547.31824	1.4
547.39813	22.2
547.65088	1.0
548.39465	1.1
745.40533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01882	0.9
55.05511	12.3
57.03438	6.4
57.07071	2.6
59.05001	1.9
61.02922	3.1
65.03940	2.8
67.05502	91.3
67.33419	0.9
68.05831	1.3
69.03438	2.0
69.07067	13.8
69.94514	1.1
69.94859	2.8
70.58411	0.9
71.04993	18.8
71.05358	1.9
79.05489	32.2
80.05876	1.4
81.03436	3.5
81.07055	43.3
82.07390	1.2
83.04973	4.7
83.08610	9.6
85.02907	3.3
85.06551	3.7
86.09712	2.2
87.04475	1.1
91.03952	1.4
91.05473	21.0
93.07041	44.7
95.04962	6.0
95.08598	35.4
96.03816	1.1
97.02855	1.4
97.06532	4.1
97.10171	3.2
98.23412	1.3
99.08100	1.9
103.03944	1.1
105.04527	2.4
105.07017	10.7
107.08583	22.9
109.06518	2.4
109.10152	62.8
111.08080	3.2
117.07014	6.0
119.08578	15.4
121.10147	18.5
123.08084	1.4
123.11726	3.2
125.00039	1.7
129.06967	1.2
131.08565	7.3
133.10109	7.3
135.11684	17.9
137.09608	8.9
139.11195	1.4
145.10089	8.6
147.11647	5.1
149.13263	4.4
155.10693	3.8
157.10072	1.8
159.11697	3.0
161.13271	2.5
163.11214	3.1
163.14839	1.0
169.12270	1.5
173.11760	8.2
173.13289	3.5
175.14926	1.3
181.12192	1.8
184.07285	5.4
187.13319	1.9
187.14923	1.1
243.15851	2.1
245.49966	0.9
255.15981	4.0
259.20599	1.5
261.22192	3.1
287.18481	18.5
317.24646	1.1
335.25793	28.7
336.26147	1.5
337.26898	1.9
397.30991	1.5
410.21002	1.4
471.34946	1.6
489.35730	100.0
490.35916	6.5
503.37326	3.9
515.37286	12.7
547.39893	76.1
548.40063	4.2
744.39307	9.7
745.40479	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	745.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.5
55.05508	1.7
56.05022	1.0
57.03423	0.7
58.06598	13.2
58.99579	2.8
61.02903	0.5
69.03427	2.7
69.51035	1.0
69.51420	1.1
69.84650	0.5
73.01144	3.3
73.02918	0.7
76.02229	3.3
78.79516	0.5
81.03410	2.3
83.04978	10.9
83.06082	0.6
84.04499	14.9
85.02915	5.1
86.26428	0.6
86.99037	2.1
87.00823	1.7
88.03994	1.3
91.05461	1.0
93.07037	0.5
97.02899	2.3
99.02677	4.2
99.04460	1.3
102.05447	0.8
105.00085	2.8
105.01836	1.3
105.06995	0.6
107.08598	0.6
109.02885	2.5
110.06026	0.7
115.05449	0.6
116.05315	2.6
117.07013	1.5
119.08595	0.8
121.06518	0.7
122.02718	6.9
126.05511	0.8
127.03902	3.2
128.06203	1.2
130.04996	7.4
135.04407	1.0
135.08087	3.6
139.82263	0.5
142.03195	2.6
145.03180	2.9
145.04979	1.1
145.06453	3.0
146.02682	1.0
147.08054	1.1
159.02885	1.5
159.08058	1.0
161.06004	1.4
162.05836	15.0
163.03870	1.2
163.07515	1.0
170.08122	1.5
171.07910	1.2
173.05988	1.8
176.07236	0.6
177.05240	0.5
182.06372	1.4
187.07455	0.7
187.11137	0.9
188.03760	3.2
189.09119	4.9
191.07014	1.3
196.08818	1.4
197.09612	0.6
199.07506	1.4
201.12692	1.7
211.11118	2.6
212.09268	0.6
212.11717	0.8
213.12753	3.2
217.08093	0.9
227.12987	1.1
229.12224	100.0
230.12544	2.9
231.04810	0.9
233.05847	0.5
234.04271	1.0
239.75397	0.5
245.09911	1.8
247.13307	0.6
249.05449	0.5
251.06931	5.6
274.07480	0.7
291.10089	8.2
333.11237	3.4
350.14117	0.6
433.17871	0.7
437.14127	0.8
461.17572	3.9
477.17569	25.6
478.17798	1.5
479.18399	1.0
497.19321	3.6
701.33643	0.7
709.39783	0.6
710.22229	0.6
745.23950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15318	0.4
54.20797	0.4
61.34989	0.3
69.03423	0.4
69.56653	0.3
69.82163	1.3
70.06599	0.5
78.31644	0.3
83.04996	0.5
85.02911	1.4
88.91695	0.4
89.41167	0.3
91.05492	1.2
98.22722	0.4
117.03419	0.4
119.04966	0.5
121.79519	0.4
145.02855	0.8
149.06071	0.4
151.07562	1.5
151.57907	0.4
171.06531	0.5
172.06894	0.5
173.07040	0.3
175.56061	0.3
177.05408	1.8
181.05008	0.4
203.05165	0.5
211.05997	0.7
299.94952	0.4
313.08972	0.4
331.10004	0.4
347.09512	0.5
353.12057	1.5
479.14978	0.4
497.16208	0.4
515.17334	10.8
516.17883	0.7
523.18262	0.5
583.20221	3.0
597.18207	0.7
625.21021	0.6
685.22784	0.9
745.25177	100.0
746.25421	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	745.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64730	0.3
63.78551	0.3
71.12434	0.5
80.07916	0.3
85.02917	1.1
85.85986	0.3
90.95142	0.3
91.05499	0.8
117.03387	0.4
119.04964	0.6
145.02867	1.1
151.07614	1.4
153.86539	0.3
171.06567	0.6
173.07112	0.3
177.05469	1.7
245.06464	0.4
275.07587	0.4
276.10965	0.4
347.09769	0.3
353.12112	1.4
481.16803	0.7
515.17291	9.8
515.24683	0.7
516.17773	0.6
583.19946	2.4
685.22748	0.8
745.25183	100.0
746.25531	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	745.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79536	0.7
62.59667	0.7
70.70557	1.5
75.03042	0.8
98.23438	0.6
122.92007	0.7
123.08060	2.4
139.03717	0.9
140.54399	0.7
141.05275	0.7
169.04738	2.7
185.04356	0.9
211.05881	1.1
227.05351	3.1
239.08093	0.8
243.04901	0.9
249.14619	1.0
263.20773	0.8
287.07520	3.3
357.15146	1.3
389.10455	2.6
393.18839	2.6
411.19687	0.9
431.11655	2.8
449.12674	1.9
453.20895	12.0
481.20291	4.4
495.21796	1.2
597.25323	4.9
615.26129	26.3
616.26434	1.7
657.27252	36.4
658.27850	3.5
659.25110	6.3
701.26215	32.9
702.26752	1.9
745.25153	100.0
746.25610	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	745.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31989	0.5
53.03932	0.9
53.64351	0.5
55.01866	0.9
55.05507	1.3
57.03432	2.4
59.04984	0.8
61.02923	4.8
67.05502	3.4
69.03418	2.9
69.07062	0.6
70.06578	3.3
71.04978	1.0
73.02905	3.8
74.72377	0.5
79.05485	3.7
81.03408	4.6
81.07032	2.7
83.04980	0.8
83.08612	1.3
85.02896	5.3
85.06556	0.5
91.03963	2.4
91.05469	4.0
93.07045	3.2
95.04983	2.3
95.08621	1.7
97.02866	3.9
97.06518	0.9
98.23545	0.7
99.04475	1.1
101.02358	1.2
105.07055	2.0
107.04996	1.4
107.08607	2.3
109.02890	1.3
109.06561	0.6
109.10128	0.6
111.04459	1.1
117.07083	0.6
119.08597	2.1
121.10165	2.4
123.08086	0.7
127.03918	1.8
129.07011	0.8
131.08621	2.0
133.10191	0.9
135.11716	1.3
145.04965	0.8
145.06500	0.5
145.10085	1.4
147.11691	0.8
149.09648	1.2
157.10017	1.0
163.04057	0.7
163.11206	1.6
173.09622	1.0
175.11243	1.0
177.05417	0.7
181.12280	0.8
185.04243	1.0
191.10632	0.8
193.12277	1.3
203.05464	0.9
225.15103	0.9
243.08569	1.2
257.51248	0.6
259.11011	0.7
267.12036	1.3
267.15823	0.9
283.15225	2.9
323.14600	1.0
368.53357	0.6
417.19800	0.6
451.19537	1.3
467.19037	0.5
485.19879	11.1
501.23062	8.6
576.79022	0.7
695.32495	6.4
727.34631	2.3
744.53406	0.6
745.36072	100.0
746.36456	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.90952	0.3
55.01875	0.6
55.05510	2.4
57.03436	2.9
59.04987	0.3
61.02925	7.8
61.25800	0.3
65.03937	0.4
67.05501	9.2
68.05840	0.5
68.41090	0.3
69.03422	4.9
69.07064	1.5
71.01357	0.6
71.04990	1.1
73.02914	5.3
79.05491	6.4
81.03406	2.5
81.07051	9.5
82.07351	0.4
83.04981	0.6
83.08607	1.2
85.02900	6.5
85.06546	0.5
86.09702	0.5
86.27737	0.3
87.04462	0.5
88.99643	0.3
91.03951	4.5
91.05475	3.8
93.07037	7.6
95.04984	1.5
95.08600	7.3
96.08958	0.4
97.02885	6.9
97.06520	0.9
97.10180	0.3
99.04450	1.7
101.02384	2.2
103.03951	0.5
105.04536	0.5
105.07030	1.8
106.97305	0.3
107.04935	0.5
107.08599	3.2
109.02890	1.1
109.06511	0.5
109.10147	2.8
109.32581	0.3
115.03935	0.6
117.07045	1.3
119.08589	1.2
121.06544	0.5
121.10139	2.9
122.10480	0.3
123.11732	1.0
124.99960	0.4
125.09599	0.3
127.03873	2.0
131.08569	1.4
133.10114	1.0
135.11684	3.6
145.04996	0.3
145.10135	1.9
145.16542	0.3
147.11699	0.7
149.13292	0.6
150.78178	0.3
159.06760	0.3
159.11697	0.8
163.11179	3.7
163.14832	0.5
173.13219	0.5
181.12248	0.5
184.07352	2.0
185.04230	0.7
185.07576	0.4
203.05205	0.4
219.09952	0.5
227.12726	1.8
237.07396	0.3
243.08434	3.7
244.16380	0.4
249.10962	17.7
250.11433	0.5
261.22235	0.5
269.17303	0.4
287.18549	0.9
305.13504	1.8
335.25809	1.8
336.26007	0.6
467.18909	7.5
467.25507	0.5
503.37161	0.7
504.37784	1.9
519.21326	0.5
519.29285	10.3
520.29614	0.5
548.40717	0.4
583.36450	0.8
745.41229	100.0
746.41516	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	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01873	0.7
55.05503	1.3
57.03434	1.5
59.82434	0.3
61.02922	3.7
67.05499	4.9
69.03419	2.1
69.07053	1.1
69.11042	1.0
69.11448	0.7
70.86988	0.3
71.04980	0.4
73.02911	2.9
74.24220	0.3
79.05491	4.4
81.03416	1.6
81.07048	4.7
83.08617	0.9
85.02900	4.5
87.04493	0.3
91.03941	2.0
91.05457	1.6
93.07037	4.5
95.04979	1.1
95.08601	3.8
97.02885	3.7
99.04457	0.7
101.02357	1.6
105.07017	1.0
107.04972	0.7
107.08574	3.2
109.02866	0.6
109.10167	0.9
111.04451	0.4
115.03989	0.3
117.07015	1.2
119.08579	1.3
121.10165	1.3
127.03930	1.1
130.07768	0.3
131.08572	0.5
133.10153	0.8
135.11668	3.5
135.12508	0.4
145.10110	1.5
149.13271	0.4
163.11154	3.8
181.12231	0.6
184.07437	0.5
185.04147	0.7
192.97295	0.3
219.09904	0.5
227.12773	2.1
243.08366	2.0
249.10947	8.0
249.13521	0.5
305.13593	1.4
306.41241	0.3
330.43774	0.3
335.25821	1.0
367.77148	0.3
426.16708	0.3
467.18817	8.5
489.61932	0.3
519.29309	5.9
530.39075	0.3
583.36646	0.4
745.41199	100.0
746.41522	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	746.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.77575	0.3
55.01867	1.0
55.05500	0.7
57.03422	0.6
60.36070	0.3
61.02898	0.3
64.11803	0.2
65.03944	0.5
65.23665	0.3
67.05492	3.1
68.99768	0.6
69.03420	3.0
69.07049	0.3
69.78110	0.9
70.67840	0.2
71.04980	1.1
73.02915	0.4
77.03931	0.6
79.05493	3.4
81.03413	3.5
81.07050	2.9
83.04977	2.2
85.02906	5.1
87.00828	2.3
90.75240	0.3
91.05476	14.1
93.07040	12.1
95.04958	5.7
95.08604	2.5
97.02887	1.9
97.06516	0.3
99.04444	1.0
103.05425	0.6
105.01850	1.0
105.04514	0.7
105.07022	6.5
107.04962	1.7
107.08590	2.3
109.02859	2.8
109.06480	1.0
111.04455	0.3
115.05448	0.8
117.07023	3.7
119.04911	0.4
119.08573	21.2
121.06499	8.0
123.08089	1.5
127.03909	3.4
128.06250	0.4
129.01814	0.4
129.07001	1.3
131.07648	0.4
131.08549	4.3
132.05685	0.9
133.10080	2.0
135.08049	1.7
137.05988	0.3
141.07021	0.5
142.07771	1.0
143.08530	1.0
144.09332	0.4
145.04985	0.9
145.06468	0.4
145.10107	4.0
147.08044	15.3
154.07799	0.4
155.08548	2.5
156.09357	0.3
157.10117	3.1
159.02827	0.5
159.08034	1.7
159.11679	1.6
161.09618	0.6
167.08577	0.7
169.10107	1.7
171.02911	0.3
171.11664	0.4
172.08795	0.6
173.09647	1.7
175.11201	0.4
182.10895	1.1
187.11148	2.9
187.14774	1.5
189.03932	0.3
197.13271	3.4
215.14296	100.0
216.14606	2.7
231.05003	0.5
231.94536	0.3
233.15288	0.4
273.06021	0.9
413.74658	0.3
421.04156	0.4
432.67990	0.3
623.52631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35863	2.0
69.36256	10.7
79.05486	3.9
81.03419	30.1
85.02915	3.8
91.05490	2.8
91.39947	1.8
93.07058	7.3
95.01652	2.1
95.04967	3.8
97.06560	2.8
98.23450	4.2
107.04953	7.1
109.02908	9.1
121.06522	19.2
125.06010	7.8
139.07513	2.8
149.05975	28.5
167.07036	100.0
168.07449	2.1
185.08099	3.5
202.97469	1.9
207.06358	3.0
211.06828	1.9
218.22318	1.8
223.02884	2.8
241.03838	6.4
265.04013	3.1
283.04764	3.2
313.75241	1.9
384.11749	30.3
384.61890	4.9
387.12595	33.5
534.09338	2.4
750.15039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01868	2.1
55.05507	8.7
57.03194	1.8
57.03430	10.0
65.03942	3.0
67.05502	20.3
69.03431	4.2
69.07065	17.3
70.70941	2.5
71.04971	1.8
79.05486	12.7
81.03413	35.2
81.07053	35.2
83.04972	4.9
83.08637	3.1
85.06542	1.3
85.73914	1.4
91.05479	8.9
93.07034	16.9
95.04963	46.2
95.08604	27.6
97.06534	16.1
97.10160	3.4
99.04482	2.3
105.07029	21.8
107.04910	1.8
107.08595	22.4
109.06520	15.3
109.10159	36.0
111.08081	3.5
111.11713	3.1
113.06045	2.1
117.07039	3.7
119.08575	34.0
121.06491	10.3
121.10151	17.1
123.04433	12.5
123.08068	28.0
123.11693	8.5
125.09589	8.3
129.07082	2.8
130.07736	1.2
131.04916	1.3
131.08565	13.8
131.09499	1.9
133.06509	2.9
133.10130	31.4
135.08058	13.4
135.11673	10.0
137.05937	1.8
137.09602	4.3
139.07521	2.5
141.05441	2.5
141.06883	2.0
141.09016	1.5
143.08572	6.7
144.09366	2.3
145.06483	8.5
145.10114	22.5
147.08041	4.8
147.11671	34.0
147.12849	1.8
149.02423	1.4
149.09599	6.6
149.13255	13.1
151.07524	2.8
151.11179	18.2
153.12785	1.5
155.08562	2.0
157.10115	8.4
158.10939	5.8
159.08102	2.7
159.11681	17.4
161.09618	11.7
161.13248	24.1
163.11177	5.3
163.14792	9.6
165.09038	1.4
165.12778	2.4
167.14317	2.0
169.10187	3.4
171.08052	3.4
171.11647	8.9
173.09717	7.4
173.13261	35.9
174.13747	1.6
175.11253	8.0
175.14804	20.7
176.11923	2.6
177.09123	2.5
177.12706	4.0
177.16354	3.2
179.07066	2.8
179.10646	22.5
181.10155	1.7
183.07945	1.6
183.11668	3.9
185.09618	5.9
185.13278	5.7
187.11180	4.8
187.14792	10.4
189.09119	2.4
189.12799	3.7
189.16357	2.2
191.10643	3.0
191.14297	66.3
193.10413	2.6
193.12207	17.8
197.09634	4.3
197.13411	2.3
199.11198	5.7
199.14781	3.4
200.59528	1.5
201.09216	1.9
201.12703	5.4
201.16389	9.9
203.10646	3.4
203.14275	3.4
205.12276	11.1
207.13799	12.8
209.13368	3.2
209.15356	37.2
211.11214	4.4
211.14845	2.6
213.12741	6.6
215.14256	1.6
217.12276	4.5
219.13789	20.5
221.15388	18.0
225.12877	2.4
227.10840	2.5
227.14348	5.5
229.12299	3.4
229.15825	2.1
231.13803	4.0
233.15349	2.7
239.14389	5.6
241.15929	3.5
241.19531	1.5
243.13780	1.8
245.15417	3.9
245.22697	1.8
247.16840	2.2
253.12154	1.8
253.16014	2.4
255.13734	2.2
257.15463	5.5
257.19925	2.6
257.22635	39.8
267.17410	5.0
269.15277	3.9
271.13318	2.0
271.16916	3.4
275.23730	1.6
285.18524	5.1
285.22189	3.2
287.16458	5.9
295.16901	12.0
303.23154	22.6
305.17380	2.3
313.17966	100.0
314.18295	1.9
331.19022	88.3
332.19345	3.3
349.20044	3.9
365.19608	5.0
373.19928	8.0
379.97989	1.4
391.21164	19.8
392.22433	1.5
408.23740	15.1
435.64655	1.5
569.40204	1.5
587.40521	2.9
615.40192	1.9
633.41064	1.9
647.42932	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	746.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.42768	1.2
55.05509	7.1
57.03429	5.9
57.07075	1.4
65.03936	1.8
67.05499	14.9
69.03421	1.9
69.07061	13.3
70.06602	1.5
71.04979	3.8
79.05492	10.0
81.03414	30.5
81.07047	23.0
82.44059	1.2
83.08624	3.8
85.02905	1.4
85.89581	1.1
86.09709	4.0
91.05477	6.5
93.07030	12.0
95.04967	30.5
95.08600	17.4
97.06539	6.5
97.10151	2.1
98.22601	2.2
99.04456	10.4
105.07026	15.3
107.08588	15.9
109.06519	4.3
109.10157	20.2
111.08092	1.5
111.11702	3.3
117.06999	3.1
119.08581	16.4
121.06511	2.9
121.10136	10.8
123.04457	2.0
123.08075	3.0
123.11710	4.2
125.00024	2.5
125.09596	7.9
128.75035	1.4
130.07899	1.3
131.04958	1.5
131.08543	5.2
133.06476	3.5
133.10124	17.4
135.08090	3.9
135.11685	7.2
137.09598	4.0
143.08568	2.5
145.06487	3.1
145.10130	8.1
147.08061	4.7
147.11662	24.0
147.12726	2.1
149.05907	1.3
149.09593	3.2
149.13242	8.4
151.07516	1.6
151.11162	10.3
153.12747	2.1
157.10098	2.7
159.08115	2.5
159.11696	11.3
161.09665	3.5
161.13246	22.4
163.11157	4.0
163.14822	4.7
165.09102	2.4
165.12704	1.9
167.10649	2.6
171.11717	1.6
173.09683	3.9
173.13226	11.4
175.11160	3.1
175.14806	9.1
177.09151	2.5
177.12805	1.7
184.07346	13.1
185.09674	1.6
187.07594	1.8
187.11131	1.6
187.14816	6.9
189.09035	2.7
191.14253	2.1
193.08446	1.4
193.12212	14.6
195.13791	1.5
199.11162	1.3
201.09033	1.4
201.16345	7.8
203.14334	1.6
205.08553	3.5
205.12283	3.6
207.10187	5.0
207.13751	8.7
209.15353	1.4
215.10629	2.3
215.14429	1.7
215.17953	2.9
219.13783	2.0
221.15387	3.9
229.12260	1.5
231.21164	1.5
233.15314	2.4
253.12546	1.6
253.15800	1.4
257.15341	2.9
257.22629	23.9
271.13245	3.6
281.17413	6.9
285.18759	1.7
285.21994	2.2
289.14343	3.8
295.16739	1.6
303.23080	17.1
313.17853	7.8
331.18976	24.6
335.26013	1.8
337.26089	1.4
349.20053	100.0
350.20181	3.4
391.21185	1.8
623.30731	1.4
746.41211	4.9
747.43127	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	747.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79903	0.3
53.60920	0.3
54.78390	0.3
60.66064	0.3
62.01588	0.3
63.02357	1.7
65.03934	2.7
67.05505	0.9
69.03437	0.6
70.06586	0.3
71.51177	0.3
72.08166	0.4
73.43349	0.3
78.04713	1.6
79.05466	0.6
81.07051	0.3
82.04197	1.3
85.02897	1.8
85.45457	0.3
89.03908	15.5
90.04243	0.4
91.05484	1.1
93.03403	0.5
95.04974	1.1
97.06527	0.8
97.33594	0.3
104.09488	0.3
105.03383	0.5
105.04537	0.4
106.04170	0.7
108.02116	0.6
109.10173	0.3
110.03669	1.1
111.04416	0.7
111.92369	0.3
117.03368	31.8
118.03738	0.9
123.00772	0.5
125.05989	0.6
134.03604	2.9
135.04404	2.3
137.05968	1.1
138.03091	0.6
138.06400	0.3
142.02542	0.5
145.02835	62.9
146.03154	1.9
147.04395	0.6
149.05972	9.8
153.05431	1.0
156.63322	0.4
158.05922	0.4
162.03123	0.4
163.03879	1.7
171.06531	2.3
177.05453	100.0
178.05777	3.1
181.04941	43.0
182.05286	1.0
186.05467	1.3
195.06522	0.4
198.97614	0.3
227.64914	0.3
269.81277	0.3
326.16510	0.4
327.07053	0.8
410.26379	0.3
507.12689	0.3
633.85938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50333	0.5
85.02924	0.4
94.11162	0.3
123.00532	0.6
145.03476	0.4
195.05069	0.4
199.86211	0.4
203.05336	2.2
205.04715	1.3
210.59937	0.4
223.05981	1.8
241.05490	0.6
243.94926	0.4
262.60999	0.4
265.05432	0.4
265.30933	0.4
285.09445	0.7
286.06573	0.4
320.23340	0.4
321.08112	0.8
385.11005	100.0
386.11343	3.4
403.10870	1.3
445.11746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63362	1.4
67.05494	2.0
69.03407	1.8
69.07063	6.9
71.00549	1.5
81.03383	1.4
85.02901	2.4
89.03938	1.1
91.05460	1.3
94.06570	10.3
95.04973	2.2
95.78048	1.2
97.02907	2.5
108.08125	2.6
110.06042	2.8
112.07611	1.8
116.04980	3.0
117.03384	2.8
118.06547	2.2
118.96385	1.2
122.06016	28.3
122.06712	1.1
134.06006	2.7
136.07564	2.4
140.07043	41.8
144.04398	5.4
144.08066	1.4
145.02818	7.6
145.05107	2.0
146.06015	13.6
147.06810	1.1
148.07573	1.8
162.05476	3.0
163.03920	1.8
172.03922	26.5
172.07562	2.4
173.04631	1.6
174.05499	18.7
176.07082	6.6
177.05463	10.1
180.33871	1.2
181.04996	3.7
181.08789	1.1
182.09706	2.3
184.09912	1.3
186.09143	1.5
190.04948	4.1
191.05713	2.7
192.06519	2.3
196.11429	1.2
197.10693	3.0
199.12273	7.6
204.06541	48.3
206.08080	20.6
207.08907	1.4
209.10791	2.0
210.09145	1.7
211.08658	3.9
212.09367	2.7
221.10791	1.8
223.08754	1.7
223.12338	1.6
224.09258	1.6
225.10210	8.9
226.10815	1.7
227.11748	60.2
228.08923	1.1
228.12183	2.2
235.08585	2.1
237.10167	4.5
238.11008	2.6
239.11777	4.0
241.13292	1.5
243.11194	1.7
248.09438	1.7
249.10138	8.7
250.10963	1.6
251.08072	1.4
251.09583	1.3
251.11703	7.7
252.12520	1.5
253.09756	4.5
261.10193	2.2
261.12454	9.7
263.08157	4.4
263.11786	22.6
264.08859	1.5
264.12402	3.3
265.09747	5.8
265.13196	2.7
266.10406	2.2
267.11215	4.0
269.12842	17.6
270.13232	1.3
271.10770	5.2
277.09650	7.7
277.12238	1.1
278.10312	1.6
279.11121	12.5
283.10742	5.8
284.11600	4.6
285.12366	4.6
287.13879	16.8
289.09821	1.4
289.13229	2.1
290.10434	3.5
291.11169	5.7
292.11954	4.4
295.10562	5.7
297.12302	6.4
298.13354	1.2
300.12228	3.1
301.12009	3.4
302.12863	1.6
305.09222	1.4
307.10681	1.5
309.12241	11.2
310.13263	1.4
311.14096	2.4
313.11746	38.1
314.12762	4.4
315.13705	3.8
316.14520	6.7
317.15253	1.2
323.10214	2.8
323.13907	8.7
326.16681	2.2
327.17554	2.7
328.10919	1.9
328.14426	5.9
329.11490	4.5
329.15228	4.7
330.12653	1.8
330.15906	6.4
331.12839	12.0
331.16797	8.3
332.17557	2.9
336.10944	1.6
337.11734	2.1
340.14590	2.4
341.12714	2.4
342.12408	9.9
342.16159	2.8
343.13080	6.4
344.13846	2.3
344.17493	11.7
345.14413	23.2
352.14648	1.5
354.16068	3.4
355.13733	3.7
356.13843	9.1
356.17386	1.3
357.14859	4.8
358.15448	15.9
367.13089	2.7
368.13779	2.1
369.10751	3.4
369.14630	8.6
370.11435	1.7
370.15533	7.5
371.16367	1.7
372.16956	7.4
374.19003	1.9
380.13779	2.0
382.11453	7.5
382.16077	1.6
383.12872	5.2
384.13217	17.7
384.17151	1.9
385.13889	10.2
386.14462	7.1
386.18860	3.1
388.16406	2.3
390.18106	3.3
398.14899	27.5
399.15762	34.5
400.16522	46.1
401.16995	3.1
402.14426	3.2
403.14957	54.8
404.15283	3.6
411.11841	2.9
412.16550	4.9
414.18423	6.8
416.16025	3.9
417.16727	3.8
418.17712	7.9
425.13260	5.6
429.12863	3.4
430.17712	3.8
431.18265	2.8
440.16257	5.8
441.16479	2.2
444.15518	2.0
452.12134	3.1
453.12909	11.7
454.13602	3.4
455.14648	1.8
458.17291	8.7
459.17767	5.0
483.13525	1.6
484.14951	5.7
485.15512	27.6
486.16068	10.4
490.19669	2.1
506.19168	4.7
530.19128	2.5
531.20062	2.7
533.17896	10.3
534.18640	6.9
556.17126	3.7
574.18152	51.0
575.18744	29.4
576.19653	7.2
581.23944	3.6
592.19427	1.9
594.20587	11.6
599.25031	5.9
606.20886	9.7
607.21558	5.5
624.21954	13.6
626.23212	11.6
671.26721	5.5
673.24951	5.7
697.25006	13.2
698.24426	1.8
703.22308	5.7
715.25983	100.0
716.26379	11.0
747.20782	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02750	1.1
62.32038	1.1
66.17761	1.1
66.92009	1.0
67.05489	2.6
69.07061	4.2
69.09012	5.7
69.09422	2.7
69.94180	1.0
70.06567	1.1
77.15045	1.2
84.27396	1.1
90.63064	1.1
94.06557	8.4
95.04957	1.7
96.90759	1.2
108.08117	2.3
110.06063	2.7
116.04993	2.2
118.06551	2.3
122.06029	27.7
134.06010	2.0
140.07051	33.9
144.04446	5.0
145.05241	1.5
146.06010	14.9
148.07571	3.7
152.07108	1.4
162.05518	3.5
163.06326	1.2
172.03920	28.0
173.04764	2.6
174.05492	15.3
176.07043	6.6
182.09671	2.6
190.05035	3.0
191.05788	1.8
192.06566	1.5
197.10776	3.1
198.09181	1.9
199.12312	7.5
204.06546	49.5
205.06924	1.4
206.08128	16.2
209.10751	2.0
211.08627	5.0
212.09381	3.2
213.10268	1.3
215.11787	2.1
224.09383	2.0
225.10185	8.4
226.10823	1.8
227.11769	65.7
228.12148	2.1
235.08650	2.0
236.09492	1.5
237.10289	4.2
239.11801	3.4
241.09990	1.5
241.13170	2.5
243.11183	7.3
249.10181	3.2
251.11798	3.1
253.09755	3.2
255.11111	2.1
261.12308	6.3
263.08090	2.6
263.11771	1.3
264.08911	1.4
265.09665	4.9
267.11276	4.8
269.12875	15.8
271.10776	9.1
277.09802	2.9
278.10278	1.8
279.11099	2.3
280.12091	1.3
283.10773	3.6
284.11456	5.9
285.12320	9.7
287.13898	18.1
291.11038	1.5
295.10730	2.7
297.12302	4.8
300.12146	1.8
301.12097	5.5
302.12946	1.3
313.11798	27.1
314.12759	3.3
314.16437	1.7
315.13748	4.2
316.14401	4.8
317.14926	3.5
326.16748	1.8
327.14182	1.5
328.14383	3.4
329.11646	2.6
329.15237	4.5
330.12219	3.7
330.16006	8.2
331.12830	7.3
331.16776	8.1
332.17603	2.0
338.44263	1.4
340.14719	1.6
342.12436	7.9
342.16068	1.8
343.13138	3.2
344.14157	2.1
344.17523	8.8
345.14459	25.0
345.18570	2.3
354.16226	2.1
355.13382	1.7
355.17242	1.9
356.14053	5.8
357.14783	4.2
358.15518	18.2
367.13065	1.6
369.10925	2.7
370.11459	2.7
370.15778	5.6
371.16528	1.9
372.17215	6.5
382.11786	4.5
382.15936	1.4
383.12772	3.9
384.13272	17.6
384.17438	1.5
385.13983	8.6
386.14908	4.5
386.18719	4.1
388.16611	2.1
390.18060	2.3
398.14957	24.3
399.15781	34.9
400.16565	49.9
401.16809	3.6
402.14050	2.1
403.14975	51.2
404.15225	2.2
412.16483	3.4
414.18051	5.3
415.19025	1.5
416.16092	4.5
417.16736	4.5
418.17459	4.9
422.14862	1.7
429.12866	2.9
430.17682	3.4
431.18127	2.0
440.16330	5.4
441.16885	3.2
442.17349	2.1
444.15308	2.3
458.16980	9.3
459.17554	3.8
506.19083	3.0
507.20007	1.5
518.15735	1.4
530.19006	2.5
533.17834	8.6
534.18591	5.2
546.18518	1.5
547.19476	2.1
556.16772	4.0
574.18158	39.8
575.18799	20.5
576.19275	4.4
581.23627	4.2
599.24982	3.2
606.20807	5.1
607.21338	4.7
671.26801	5.0
673.24542	5.9
697.24957	9.5
715.26031	100.0
716.26337	8.4
747.30121	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	747.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70404	2.4
59.61444	3.0
70.06983	8.8
72.97808	3.0
92.47834	2.8
97.58962	3.4
109.31173	2.8
133.30299	3.0
146.62259	2.8
337.54800	3.0
368.40778	2.8
747.40948	100.0
748.41101	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05497	1.7
57.03430	2.3
58.80450	0.6
61.02925	4.4
63.99040	0.7
67.05497	7.1
69.03436	2.8
69.07070	1.5
69.38227	0.6
71.01340	0.7
71.43398	0.6
73.02915	3.4
75.19846	0.8
79.05508	4.5
81.03420	2.0
81.07056	5.0
82.07366	0.7
83.08633	0.9
85.02917	3.6
91.03962	2.8
91.05465	4.7
93.06560	0.9
93.07059	6.0
95.04976	1.4
95.08613	3.0
97.02904	3.6
99.04461	0.8
101.02391	1.6
105.07035	2.6
107.08601	2.9
109.02879	1.0
109.10175	1.9
117.07044	1.4
119.08569	1.9
120.87170	0.6
121.10138	2.0
123.11742	0.8
127.03912	0.8
131.08549	1.2
133.10075	3.8
135.11650	1.6
147.11740	1.0
149.13257	1.2
157.10196	0.9
161.09738	1.0
163.70146	0.7
171.02750	0.7
171.04153	0.7
174.17053	0.7
183.29626	0.8
184.07295	1.7
185.04224	1.3
194.78995	0.6
200.91338	0.9
243.08456	1.8
248.52167	0.7
249.72972	0.7
257.70169	0.8
261.65921	0.7
301.09125	1.5
327.09656	0.8
335.25922	1.0
336.26181	1.8
350.86865	0.7
382.40216	0.7
453.21094	8.7
519.28766	0.7
525.22919	1.1
535.28510	4.7
550.38403	2.1
692.98676	0.8
747.42798	100.0
748.43237	9.6
755.98749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01854	0.8
55.05498	1.3
57.03437	1.9
61.02920	5.8
65.03928	0.4
67.05499	5.5
69.03422	3.9
69.07069	1.0
69.43331	2.0
70.06596	0.4
71.01353	0.5
71.04964	0.6
73.02908	4.4
79.05490	3.4
81.03410	3.2
81.07044	4.7
83.08595	0.6
85.02900	6.3
87.04477	0.6
87.94825	0.4
91.03938	3.6
91.05463	3.0
93.07029	4.1
95.04963	1.2
95.08600	4.3
97.02887	5.6
99.04457	1.4
101.02373	2.1
105.07038	2.5
107.08585	2.0
109.02867	0.8
109.10191	1.1
117.07019	0.5
119.08579	1.7
121.10156	2.2
127.03921	1.3
131.08563	1.5
133.10127	1.4
135.11694	0.8
145.10127	0.6
147.11707	0.7
149.09731	0.6
157.10121	0.7
159.11717	0.8
193.12314	0.8
201.16794	0.4
232.22353	0.4
243.08476	1.8
251.12553	1.2
335.25723	0.5
469.20526	3.9
519.29205	7.7
747.42767	100.0
748.43054	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05513	2.4
57.03443	2.2
58.24275	0.7
61.02929	5.6
67.05500	5.0
69.03445	3.2
69.07073	1.4
71.04988	1.7
73.02917	4.7
74.64919	0.7
79.05498	3.4
81.03429	2.2
81.07059	4.8
85.02901	5.5
87.04469	1.1
91.03975	2.9
91.05460	3.5
93.07053	2.9
95.04992	2.6
95.08598	4.2
97.02874	4.9
99.04467	0.8
105.07047	3.0
107.08643	2.0
109.10189	1.1
117.07021	1.0
119.08603	3.3
121.10150	1.6
127.03958	1.9
131.08594	1.4
133.10139	1.8
147.11703	1.0
157.10120	0.9
175.11327	0.8
193.12218	1.8
243.08444	2.3
296.53564	0.8
316.19653	0.8
342.93469	0.8
469.20474	8.1
519.29150	5.4
586.97491	0.9
747.42834	100.0
748.43304	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05498	1.2
57.03424	1.4
60.28346	0.6
61.02921	3.5
67.05502	5.7
69.03423	2.3
69.07064	1.3
69.25944	3.6
71.05000	0.7
73.02911	2.7
73.40611	0.5
79.05492	4.0
81.03410	2.0
81.07051	5.9
85.02891	3.6
91.03954	2.6
91.05476	3.3
93.07047	5.8
95.04962	0.9
95.08608	2.6
97.02894	3.8
97.06532	0.9
99.04478	0.7
99.08063	0.6
101.02380	1.0
105.07033	2.2
107.08577	3.2
109.10178	1.4
117.06989	0.9
119.08574	2.0
121.10094	2.7
123.11698	0.7
127.03915	1.6
129.05476	1.0
131.08553	0.7
133.10101	1.5
135.11725	1.5
149.13277	1.9
159.11707	0.9
166.92169	0.5
184.07343	1.7
185.04247	1.1
235.12953	0.9
237.18764	0.7
243.06276	0.5
243.08315	2.9
258.16202	0.7
264.57437	0.6
301.09039	1.1
315.10620	0.8
453.20978	9.4
453.26883	1.0
465.21048	0.7
525.23737	1.1
535.28735	6.3
747.42767	100.0
748.42969	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	749.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
67.05482	1.9
69.76616	1.2
69.77016	1.0
81.03383	0.5
91.05427	0.6
94.06542	2.1
108.08105	1.8
119.82857	0.5
120.04435	1.5
120.08095	1.2
121.10114	0.5
122.06010	4.8
122.09695	0.5
134.06009	1.2
136.07541	2.0
137.05948	2.5
137.90999	0.5
138.06268	0.9
138.09097	0.9
140.07008	1.1
141.12866	0.5
145.02808	0.5
146.05981	1.0
147.86636	0.5
148.07547	2.7
149.90454	0.5
161.20821	0.5
164.07050	1.8
166.08612	2.3
172.03944	0.7
172.07591	0.6
174.05466	0.7
190.04973	1.7
208.09898	0.6
209.10767	0.6
210.09027	0.6
210.11377	0.5
221.10735	1.1
222.11510	1.9
223.08629	2.6
223.12260	2.1
224.10750	0.6
224.12917	1.0
225.10193	4.9
235.08543	5.4
235.12181	0.8
236.09375	1.8
237.10193	4.6
237.13802	4.8
238.10938	6.8
239.11728	6.6
240.12479	1.2
247.12398	1.4
248.10712	1.7
248.12946	0.7
249.10188	5.8
250.10936	10.7
251.08035	3.0
251.11765	28.3
252.12456	4.7
253.13322	3.3
254.10713	0.7
254.13974	0.5
261.12259	0.7
263.11777	5.6
264.08853	0.8
264.12473	3.8
265.09851	4.0
265.13327	37.4
266.10492	5.0
266.13901	3.4
267.11237	2.5
267.14847	2.7
275.11795	1.5
276.10196	2.0
277.09695	2.9
277.13196	1.3
278.10318	3.6
279.11200	12.7
280.11920	1.3
281.12775	2.6
282.09659	0.7
282.13498	0.9
283.10739	2.6
283.14331	0.7
284.11572	1.1
291.11243	1.3
292.12064	1.4
293.09470	0.9
293.12790	16.1
294.13626	1.0
295.10858	1.4
295.14374	2.7
296.11646	2.7
297.12271	1.6
297.73410	0.6
298.13092	0.8
309.12244	5.8
310.13016	1.5
311.13858	31.2
312.14420	2.2
313.11957	0.8
313.15329	4.8
319.10715	2.2
321.12292	12.8
337.11707	2.6
338.12473	1.8
339.13364	29.3
340.13651	1.2
351.13669	0.7
353.15155	1.0
356.13751	0.7
357.14319	1.7
358.15259	0.8
369.14362	4.8
371.15979	22.5
372.16541	1.2
387.15787	0.7
409.13773	1.5
411.15500	10.0
412.12753	0.6
413.13205	0.7
414.18073	1.4
425.13516	4.3
426.13977	0.7
427.15005	21.9
428.15506	1.8
432.19336	2.4
432.24518	0.6
434.20782	1.7
437.13492	3.3
440.12323	1.4
441.12820	0.7
442.17484	0.6
453.12814	6.6
454.13336	1.8
455.14444	73.4
456.14865	5.4
460.18814	2.8
462.20197	0.9
473.15564	2.8
478.19720	1.7
485.15546	8.6
486.16156	1.6
487.17041	100.0
488.17310	6.6
530.19171	1.1
532.20654	7.9
548.20197	1.9
552.23218	1.3
558.18622	1.5
568.22485	1.2
576.19720	19.8
577.19830	1.6
594.20508	2.8
595.21130	1.1
596.22333	16.4
596.31909	0.9
597.22662	1.1
601.26495	0.9
608.22284	26.6
609.22461	2.2
626.22504	0.8
628.24255	0.9
673.28748	0.9
699.25488	0.6
717.27435	6.3
746.49933	0.6
749.33167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43080	0.3
61.74921	0.3
63.12643	0.3
67.05515	0.7
94.06577	0.8
108.08086	1.0
119.50461	0.3
120.04504	0.5
120.08093	0.6
122.06020	1.9
122.13819	0.3
136.07593	1.3
138.09111	0.3
140.07065	0.4
146.06046	1.0
148.07541	3.4
160.07492	0.3
164.07085	0.9
166.08606	2.1
172.03922	0.6
174.05487	0.3
177.05499	0.3
190.05017	0.8
204.06590	1.1
210.11560	0.4
221.10666	0.6
222.11475	1.2
223.08681	0.9
223.12273	0.9
224.10905	0.5
224.13028	0.7
225.10179	2.0
225.13843	0.8
227.11600	0.5
234.09111	0.3
235.08597	2.2
235.12254	0.5
236.09297	1.4
236.13026	0.4
237.10127	1.9
237.13789	3.2
238.10962	3.4
239.11763	3.7
240.12488	0.8
247.12257	0.6
248.10956	1.7
248.12993	0.6
249.10297	3.4
249.13834	0.5
250.10930	5.6
251.08087	1.6
251.11763	17.1
252.10098	0.5
252.12509	3.8
253.13213	1.4
261.12360	0.3
263.08884	0.4
263.11798	2.2
264.09149	0.5
264.12485	1.1
265.09900	2.3
265.13327	24.4
266.10641	2.2
266.13776	2.1
267.11395	1.6
267.14786	2.4
275.11826	0.5
276.10269	0.9
277.09772	1.0
277.13419	0.7
278.10324	2.4
279.11243	7.0
279.14099	0.4
280.12039	0.9
281.10056	0.3
281.12906	2.0
282.09769	1.3
283.10757	1.0
283.14413	0.5
284.11475	0.3
291.11346	1.2
292.12198	0.8
293.12802	9.9
294.13748	0.7
295.10812	0.9
295.14395	1.0
296.11444	1.6
297.12265	1.5
298.13184	1.4
305.09158	0.4
309.12286	2.9
311.13861	22.9
312.14413	1.2
313.11902	0.5
313.15204	1.6
319.10669	0.8
321.12296	6.2
337.11859	1.1
338.12454	0.4
339.13373	13.4
340.14084	0.8
344.13989	0.5
353.14914	2.0
357.14526	0.8
369.14362	2.0
370.15128	0.4
371.15958	19.3
372.16479	1.1
409.13885	1.3
411.15451	5.5
412.12524	0.4
413.13297	0.6
414.12634	0.6
414.18124	0.5
425.13330	1.8
427.14969	16.1
428.15500	1.2
432.19171	1.0
434.20569	0.5
437.13324	1.9
440.12332	0.8
441.13306	0.4
453.12943	4.1
454.13596	1.0
455.14459	39.3
456.14771	2.1
460.18774	0.5
462.19919	0.6
469.16342	0.4
473.15488	1.2
474.20505	0.4
480.20901	0.4
485.15475	6.2
486.16193	0.6
487.17056	100.0
488.17401	5.3
494.23050	0.7
532.20758	3.6
548.20245	0.7
552.23224	0.4
558.18372	0.5
568.22534	0.4
576.19696	6.4
577.20099	0.7
583.25366	0.5
594.20959	1.6
596.13354	0.6
596.22357	10.1
597.22510	0.8
608.22351	8.0
609.22253	0.5
626.22778	0.4
627.23657	0.5
628.24683	1.3
663.24536	0.4
673.28009	0.6
717.27557	2.4
749.30292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.0
69.84103	1.6
80.54115	0.4
91.05489	0.6
94.06558	2.4
95.04947	0.7
98.22630	0.4
122.06026	8.1
134.06023	1.4
136.07541	3.2
140.07083	0.5
141.23184	0.4
146.06102	0.7
148.07593	1.9
157.48662	0.4
164.07094	1.7
166.08670	1.2
204.06514	0.6
210.09256	0.5
213.10362	0.5
221.10825	0.5
222.11382	0.8
223.08653	3.9
223.12311	0.9
224.09404	0.6
224.13120	0.5
225.10197	10.7
225.13727	0.9
226.10835	0.7
227.11852	0.6
234.09236	0.6
234.11447	0.5
235.08745	1.5
235.12274	0.8
236.09425	2.3
236.13051	0.7
237.10236	3.7
237.13918	2.9
238.10887	3.7
239.11714	3.8
239.15475	0.7
240.12366	0.6
247.08327	0.5
247.12247	0.5
248.09573	0.8
248.10722	0.7
248.13165	0.8
249.10199	4.0
250.10980	7.2
251.08058	3.2
251.11751	19.3
252.12550	3.5
253.09723	0.5
253.13304	1.2
262.10959	0.5
263.11765	7.9
264.12598	2.6
265.09900	3.0
265.13312	22.1
266.10529	1.3
266.14044	2.1
267.11298	1.0
267.14978	2.0
269.13107	0.6
275.11807	1.0
277.09729	1.0
278.07736	0.6
278.10370	3.4
279.11246	7.9
279.14145	0.6
280.12036	1.2
281.12769	2.3
282.09610	0.8
283.10782	5.3
284.11285	0.8
291.11368	2.3
292.12103	0.6
293.09488	0.9
293.12778	8.5
294.13602	0.8
295.14435	1.2
296.11621	3.7
297.12296	4.1
298.13120	1.8
299.13852	0.5
305.86267	0.5
309.12286	11.6
310.13080	1.4
311.13843	23.1
311.57712	0.5
312.14352	1.0
313.15625	0.7
319.10852	1.3
321.12366	1.7
325.11813	1.0
325.15506	0.8
337.11774	2.3
338.12711	0.5
339.13388	1.9
344.13867	0.8
349.71161	0.5
351.13199	0.6
353.15027	1.6
355.16394	0.5
357.14682	0.7
359.16583	0.5
369.14417	11.0
370.15237	1.7
371.15982	18.1
372.16739	1.6
386.18823	0.5
409.14001	0.9
412.12793	2.2
413.13519	1.0
414.18231	1.8
416.19879	0.6
418.17816	0.6
419.18481	0.5
425.13336	6.8
426.14145	1.6
427.14957	11.3
428.15765	0.5
432.19098	4.0
434.20825	1.9
442.17709	1.1
453.12625	2.6
454.13443	0.7
455.14252	4.1
460.18768	1.9
474.20520	2.5
478.19702	1.2
485.15521	19.4
486.16025	2.7
487.17065	37.3
488.17651	2.7
492.21295	0.9
494.23138	2.0
530.19336	1.3
532.20697	4.5
548.20044	3.2
558.18121	0.9
576.19641	8.4
577.20093	0.5
590.21448	0.9
596.22162	2.1
608.22333	100.0
609.22638	9.3
615.27795	1.0
628.25079	1.4
717.28101	0.8
728.47968	0.5
749.29987	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	6.0
69.09226	11.8
69.09630	3.9
71.48312	1.9
80.46756	2.1
81.23594	1.7
94.06581	4.7
108.08138	3.0
109.12797	2.0
112.54031	1.8
122.06038	16.6
136.07596	8.6
146.05937	2.9
148.07552	7.2
164.07057	4.6
166.08617	3.8
222.11516	4.5
223.08582	11.3
223.12267	4.5
225.10243	20.7
235.08665	6.8
235.12425	2.8
236.09453	4.5
236.13011	2.8
237.10265	9.7
237.13858	7.1
238.10980	7.5
239.11726	8.6
247.12268	2.5
248.09265	3.3
249.10075	11.2
249.13879	2.4
250.10881	13.0
251.08080	6.4
251.11772	42.6
252.12476	9.9
253.13336	4.5
263.11774	24.4
264.09909	3.0
264.12497	13.3
265.09775	6.5
265.13336	55.8
266.10455	4.7
266.13980	5.0
267.14957	5.8
277.09769	5.0
278.10529	7.9
279.11246	20.6
280.11963	2.4
281.12949	7.1
283.10806	11.8
283.13812	2.5
291.11301	7.5
292.12170	2.7
293.12811	19.5
295.10977	4.1
296.11548	6.5
297.12344	7.5
298.12839	3.3
309.12274	33.1
310.12881	3.2
311.13858	46.6
319.10855	3.6
321.12216	4.2
337.11737	7.5
338.12527	8.3
339.13330	13.0
344.13995	2.9
353.14871	3.5
357.14447	4.0
369.14444	24.3
371.15939	38.4
372.16797	4.5
409.14429	3.2
410.14319	3.2
412.12723	2.6
416.19757	3.1
425.13403	11.7
426.14066	3.8
427.15067	23.8
432.19171	14.4
434.20694	5.7
435.11447	2.2
436.12564	3.9
442.17410	2.4
453.12558	9.6
455.14331	17.4
460.18439	7.9
478.19629	4.1
485.15439	31.6
487.17056	53.1
530.19049	4.3
532.20813	10.9
548.20264	9.9
558.19037	2.8
568.23083	3.0
576.19745	81.0
577.19525	5.8
596.22070	13.4
608.22394	100.0
609.22119	9.5
717.27545	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05511	1.4
57.03448	1.7
57.40931	0.3
61.02927	4.8
66.19597	0.3
67.05499	6.5
69.03429	3.0
69.07078	1.1
71.01350	0.5
71.05004	0.9
73.02912	4.0
79.05479	3.4
81.03429	1.5
81.07052	6.9
83.08623	0.8
85.02902	5.6
85.06554	1.0
87.04486	0.6
91.03960	2.6
91.05467	2.1
93.07040	3.9
95.04984	1.0
95.08612	2.8
96.04004	0.4
97.02892	4.4
98.23514	0.8
99.04473	1.1
99.08161	0.5
101.02401	1.3
103.03957	0.5
105.07050	1.6
107.08552	1.7
109.02879	0.7
109.10170	1.0
111.08057	0.4
117.07022	0.9
119.08612	0.8
121.10151	1.1
123.11722	0.8
127.03946	1.6
131.08607	1.2
133.10138	1.3
135.11688	0.7
135.88455	0.4
149.13242	0.9
151.11267	0.7
159.11760	1.1
185.04201	0.6
187.00378	0.3
187.13321	0.6
195.13774	0.5
209.11555	0.6
228.86261	0.4
229.14508	0.4
243.08437	2.8
243.16002	0.8
253.14015	0.7
265.14072	0.5
335.26010	0.9
341.69043	0.4
427.19345	7.6
440.64658	0.4
471.22028	4.5
519.29315	5.4
609.99390	0.4
631.09753	0.4
705.41876	6.9
738.34875	0.4
749.44342	100.0
750.44830	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05514	1.7
57.03442	1.9
57.07076	0.7
61.02926	4.6
67.05506	6.5
69.03443	3.1
69.07077	1.5
71.04991	1.9
73.02909	4.1
79.05507	2.7
81.03419	1.9
81.07055	4.0
83.08630	0.7
85.02892	5.9
89.06052	0.7
91.03967	2.7
91.05508	2.6
93.07054	4.0
95.04996	0.8
95.08615	3.4
97.02883	4.4
97.10222	0.7
98.23444	1.6
101.02393	1.6
105.07070	0.8
107.08629	2.0
109.10181	2.6
119.08608	1.1
121.10193	1.9
123.11721	0.9
127.03933	1.4
131.08771	0.9
133.10197	0.7
135.11722	1.5
137.09608	1.1
145.10139	1.0
147.11755	1.0
185.04266	0.8
229.14395	1.1
243.08424	1.6
253.14201	2.2
255.34622	0.6
335.25867	1.8
471.21832	3.1
519.29211	7.1
749.44336	100.0
750.44788	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	751.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01881	0.7
55.05510	0.9
57.03440	2.5
61.02926	6.4
66.89720	0.7
67.05505	4.5
67.05804	0.7
69.03428	2.7
69.07068	1.5
69.95886	1.3
71.05002	0.8
73.02916	4.3
79.05474	3.3
81.03438	2.2
81.07057	5.1
85.02905	6.6
91.03949	3.6
91.05490	3.0
91.78860	0.5
93.07051	3.1
95.04980	0.9
95.08633	3.7
97.02890	5.6
97.06572	0.7
101.02396	1.9
105.07048	1.3
107.08613	2.5
109.02887	1.4
109.10171	2.4
113.55796	0.6
119.08604	1.9
121.10149	1.9
127.03937	1.6
131.08623	0.9
133.10161	2.6
135.11679	0.9
145.04955	0.7
151.11224	0.7
161.09775	0.8
179.10686	0.8
185.04219	0.8
212.85530	0.6
243.08505	1.7
243.24626	0.6
255.12209	1.5
260.14468	0.5
335.25815	1.2
360.83810	0.7
411.20215	0.9
473.20001	1.7
494.26157	0.7
519.29340	8.1
558.81018	0.6
608.26392	1.1
689.42279	1.7
751.42358	100.0
752.42554	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	751.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.20909	0.7
55.05507	1.2
57.03427	1.5
61.02929	6.7
67.05505	6.8
69.03431	4.2
69.07066	1.9
69.08437	4.4
71.01381	0.7
71.04986	0.6
71.20444	0.6
73.02918	4.3
79.05497	3.7
81.03405	1.8
81.07049	5.5
83.08630	0.8
85.02900	6.0
91.03951	4.6
91.05491	2.9
93.07051	4.2
95.04980	1.0
95.08604	3.8
97.02887	5.9
101.02413	2.3
105.07048	2.1
107.08614	2.3
109.02940	0.9
109.10167	2.3
115.03897	0.9
119.08591	1.3
121.10145	1.4
127.03986	0.9
131.08521	0.9
133.10086	3.2
135.11678	1.3
143.08487	0.8
145.10205	0.7
149.75867	0.7
153.12863	0.6
161.09549	0.8
203.05296	0.7
215.15811	0.7
223.65344	0.6
243.08501	1.6
253.45709	0.6
255.12157	1.7
272.45822	0.7
272.96594	0.7
280.13104	0.7
410.09152	0.8
411.19955	1.4
429.20789	1.4
473.20132	2.6
519.29132	7.0
689.42084	1.2
691.40948	1.0
751.42334	100.0
752.42529	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	752.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62708	1.0
55.85632	1.0
57.07076	67.4
58.07401	1.2
63.87981	1.0
65.21267	1.0
67.05514	1.1
69.03423	1.2
69.07075	1.4
73.06554	1.7
79.05487	2.5
81.07070	1.6
87.04472	30.1
89.06030	100.0
90.06374	1.1
91.05502	8.8
93.07038	5.6
95.04981	3.7
95.08598	1.4
97.06507	1.2
98.97578	1.3
103.05470	1.4
104.86134	1.0
105.04506	1.4
105.07039	4.2
107.04926	1.5
107.07056	1.9
107.08614	3.2
109.10130	1.2
113.13254	1.1
117.06998	2.3
117.09106	1.9
117.82072	1.0
118.07791	6.0
119.04972	3.8
119.08581	5.6
121.06503	20.1
126.44691	1.0
130.08621	1.3
130.29001	1.0
131.07019	11.3
131.08502	1.4
133.08604	70.1
135.08046	5.1
135.11711	1.7
147.08052	10.9
149.09607	6.7
149.13297	1.0
150.06750	3.9
155.06119	1.1
159.11705	1.9
163.11182	3.6
165.09106	9.7
167.10637	2.4
175.09680	6.7
177.11240	27.3
177.12744	2.5
191.10655	3.6
193.12234	2.9
209.11752	3.9
211.13326	3.9
221.13815	5.0
233.18980	21.4
235.13254	2.7
253.14236	1.3
255.15924	1.6
259.20636	3.8
275.20007	1.4
277.21603	28.3
278.21890	1.5
279.15817	1.7
283.17596	2.7
293.05295	1.5
299.18469	2.1
303.23083	2.6
309.19067	1.7
321.04868	2.1
321.24231	8.6
347.25693	1.0
555.37036	1.8
563.91541	1.1
623.35956	2.2
693.33575	2.4
735.48956	4.9
752.40057	1.9
752.51013	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	753.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05034	0.2
61.89017	0.2
68.05025	0.3
70.06583	100.0
71.06906	1.0
71.44023	0.3
72.08145	2.2
75.71929	0.2
84.08131	0.4
86.02430	0.3
86.09185	0.4
86.09698	5.5
91.05444	0.3
93.07030	0.2
95.05001	0.2
96.08115	1.3
97.07696	0.3
98.06046	1.3
98.09669	1.3
103.05464	0.5
105.07040	0.3
112.11223	1.1
115.08682	1.4
120.08089	24.5
121.08466	0.2
124.07623	0.3
124.11233	0.5
125.10812	0.3
125.53540	0.2
126.05534	0.7
127.08662	11.3
138.12788	0.8
139.08659	0.3
141.10205	7.0
141.84654	0.2
142.08621	0.2
143.11812	0.3
146.09631	1.5
153.10210	0.8
155.08131	37.3
156.08305	0.4
157.06003	0.2
164.75726	0.2
165.06609	0.3
167.11763	1.7
167.15451	0.3
169.09714	6.9
171.11404	0.2
172.10818	2.0
177.10237	2.5
181.09715	1.1
183.14906	21.6
184.15288	0.3
185.16483	0.7
186.12440	0.3
188.14337	0.3
191.11754	0.3
195.11267	0.6
195.14885	1.5
198.12527	0.3
203.11801	0.8
205.09749	1.4
208.10826	0.6
209.13025	0.3
209.16545	1.5
211.14388	15.9
212.14772	0.3
213.16014	0.5
219.11281	0.6
223.14430	1.2
224.23419	0.2
226.11826	2.8
228.17114	0.6
231.11342	0.5
237.16026	0.4
243.14822	1.4
245.16602	0.5
252.13521	0.9
254.18675	0.3
256.14551	0.3
257.12732	0.3
258.12369	0.4
264.17084	0.5
268.16638	0.4
271.14453	0.7
273.15796	0.2
274.15491	4.4
276.13388	0.8
280.16672	0.5
282.18155	2.3
282.21780	0.7
284.13748	0.4
294.18228	0.5
297.15634	0.4
299.13971	0.6
300.17307	0.3
302.14948	12.0
303.15457	0.3
310.21213	6.0
319.17636	0.5
327.23895	0.5
328.16626	0.8
336.22491	0.2
342.21661	0.4
344.19775	0.4
345.19153	5.2
347.16898	0.3
353.21634	0.6
353.25439	2.8
365.21863	0.3
370.21436	0.4
371.20743	1.3
373.18637	13.1
374.19107	0.4
381.24908	11.5
382.25159	0.4
399.19968	1.7
407.26459	0.5
413.25504	0.5
416.22803	2.1
424.29102	0.9
427.23352	0.8
429.25015	0.5
441.24991	0.9
442.24289	1.2
444.22296	7.1
444.28030	0.4
452.28555	3.2
458.28281	0.2
470.23874	1.5
472.25867	1.0
473.49075	0.2
483.29742	0.6
486.27042	0.3
487.26688	0.4
498.27020	2.4
499.27640	0.3
512.28558	0.5
515.29663	0.4
528.31793	0.6
535.32422	0.5
541.28210	0.2
543.29175	2.1
544.29431	0.3
554.33313	1.5
555.32813	2.0
583.32202	4.1
585.33777	0.2
599.35632	0.6
606.36011	0.7
611.35272	0.6
626.36737	0.6
630.86719	0.2
654.36615	3.2
655.36298	0.3
656.38074	0.4
664.37836	0.3
682.39136	5.7
683.39423	0.4
708.41107	0.5
725.43475	5.0
726.43005	0.4
735.41809	1.3
753.42859	15.0
754.43024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.06186	0.3
54.99020	0.3
55.01857	0.4
55.05505	6.3
56.23082	0.3
57.03428	1.6
61.02924	0.8
65.03940	0.7
67.05499	2.7
69.03419	0.6
71.01363	0.4
71.44191	0.4
76.08340	0.3
81.03389	0.5
81.07033	0.4
82.26059	0.3
83.04973	45.9
83.75249	0.3
85.02895	100.0
86.03234	0.5
87.04462	1.2
89.03949	0.4
91.05474	0.4
95.05016	0.3
97.02879	0.8
101.06026	0.5
109.10133	0.4
111.04435	25.8
117.03391	2.1
127.03904	5.4
129.05466	13.3
129.06444	0.4
133.10103	0.4
145.02829	7.0
149.05927	0.7
171.06506	88.6
172.06821	1.0
177.05447	19.0
178.05669	0.4
202.10120	0.3
210.44414	0.4
231.08617	11.6
316.69739	0.3
339.10709	3.7
345.23730	0.6
382.30374	0.4
433.21982	0.3
533.13647	0.3
569.17865	0.5
638.24194	0.4
713.82086	0.3
730.97028	0.4
757.36725	0.4
763.98303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79119	0.6
67.05490	1.3
69.07027	0.6
81.03407	1.2
81.07035	1.1
84.62078	0.6
84.73547	0.5
92.14846	0.6
95.04964	1.0
145.02702	0.7
152.08784	0.6
154.08383	0.9
176.91811	0.6
205.79344	0.7
207.09941	0.9
233.11450	5.8
247.09247	1.1
346.19873	100.0
347.20190	3.5
371.18250	22.4
372.18732	1.1
380.17462	0.8
431.20377	46.6
432.20541	1.7
606.01117	0.6
704.86401	0.7
706.82043	0.7
753.21069	0.7
754.36310	1.3
755.38422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.05509	23.6
57.03437	7.8
61.57077	4.1
63.45245	3.7
65.29125	3.7
67.05498	71.5
69.07060	20.1
71.04991	7.1
71.43021	5.6
73.05213	4.1
79.05486	88.2
79.89020	3.9
80.91801	5.0
81.03413	7.7
81.07053	59.3
83.04970	9.4
83.08596	12.2
85.06532	5.2
91.05469	100.0
93.07039	77.1
95.04955	23.0
95.08600	41.0
97.06524	3.9
97.10141	5.7
103.05485	6.1
105.07025	73.8
107.08588	34.6
109.06513	4.3
109.10158	10.1
117.06982	22.6
118.07269	5.2
119.08568	64.4
121.10094	23.4
123.08079	9.2
129.06975	20.0
131.08560	24.1
133.10121	38.8
135.11728	9.8
136.84908	4.7
141.07018	4.7
143.08560	14.3
145.10135	25.3
147.11673	53.0
149.13200	7.4
157.10184	8.7
159.11707	13.3
161.13266	30.8
169.10170	5.0
171.11690	31.3
173.13278	10.9
175.14853	11.9
185.13237	10.6
189.12761	6.6
199.14830	7.1
207.13794	18.6
225.64307	4.1
231.21135	5.0
241.19482	28.6
259.20572	53.0
260.20932	5.1
279.15955	15.7
281.17416	62.4
318.39706	4.9
333.24182	42.7
334.24249	6.1
447.32440	7.4
465.33765	7.3
466.92227	4.6
483.34982	6.3
539.37280	66.5
540.36987	6.8
557.38361	26.8
614.34003	4.3
734.95673	4.0
764.95752	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	755.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18845	0.5
55.05503	1.7
56.04773	0.8
56.05029	6.8
57.03447	0.7
69.91499	0.8
70.06590	100.0
71.06922	0.8
72.07743	0.6
72.08152	18.9
74.06077	41.6
84.04478	0.9
84.08138	14.6
86.06065	10.3
96.04484	1.0
96.08140	1.5
98.06051	14.1
99.95654	0.4
100.07635	0.5
111.05560	0.5
112.03986	0.7
112.07629	1.6
113.07165	2.2
114.05527	13.8
119.71446	0.4
126.05505	11.9
127.08704	1.5
129.10242	12.2
130.08638	12.6
130.09537	0.9
131.08179	0.8
136.07642	0.5
138.05528	0.7
139.08656	5.7
140.07076	1.1
141.06541	2.2
147.11282	17.0
155.08142	8.9
157.09708	5.6
159.07602	0.6
167.08160	10.1
167.11790	2.8
168.08330	0.4
169.09778	1.0
169.13353	22.8
171.07719	0.5
171.11336	1.9
175.10800	1.3
181.09784	0.6
185.09187	4.1
195.11302	6.5
197.09203	25.5
197.12859	8.6
197.14624	0.6
199.10793	0.7
199.43504	0.5
210.12437	0.7
214.15445	0.6
215.10353	3.0
215.13893	4.8
226.11923	1.1
228.17145	1.2
234.12364	0.7
236.14011	1.2
238.11931	0.8
246.18120	6.5
252.13539	1.7
254.11382	3.5
256.16614	0.7
262.11795	0.5
266.18622	2.4
270.14587	2.3
272.12509	1.3
278.15234	0.7
280.12930	8.2
294.18088	6.5
294.20877	0.5
298.13931	7.2
298.17123	0.5
312.19168	6.0
316.15131	1.1
325.22495	0.8
343.23370	8.3
395.19400	1.9
413.20013	0.6
422.27982	2.3
440.28656	37.4
441.29166	1.9
500.11774	0.5
541.33276	2.4
642.38336	1.1
711.40320	1.5
737.41669	2.4
755.42889	72.8
756.43219	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	756.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01888	1.1
55.05536	0.8
57.03440	3.5
61.02661	0.5
61.02951	2.0
62.52757	0.5
62.97443	0.5
69.03422	6.0
71.01360	0.9
71.04987	6.6
73.02915	13.6
75.04498	1.2
79.05507	1.7
81.03450	2.0
83.04984	3.4
85.02898	16.2
87.04481	0.6
89.03903	4.7
90.22195	0.5
91.05495	4.4
93.05786	0.9
93.50160	0.5
94.17673	0.5
95.05003	0.5
97.02891	9.6
99.04469	0.7
103.03931	0.5
105.05791	0.8
107.05000	1.5
109.02909	1.1
111.04448	2.4
115.03934	3.8
117.03365	5.0
117.05734	1.0
118.06541	1.1
119.04939	2.7
121.06501	1.2
122.06052	2.4
127.03941	2.0
129.05447	2.8
132.08101	2.0
133.05003	1.7
135.04402	11.2
135.06786	1.1
136.07571	10.4
145.02846	9.5
146.05954	1.2
147.06575	1.6
148.07635	0.6
149.08382	1.6
150.09081	0.6
153.07854	2.3
154.08621	79.9
155.08922	1.4
160.07550	5.3
163.03891	100.0
164.04210	2.1
164.07071	2.3
166.08655	5.1
174.09125	1.2
176.07033	0.6
178.08626	11.5
181.04910	2.6
186.08990	0.7
188.07002	0.7
190.08574	2.4
196.09669	12.4
202.08643	1.3
206.08244	0.6
208.09695	0.8
220.09662	6.8
225.07523	1.3
232.09624	2.1
243.08606	0.7
244.09570	0.7
246.11246	1.1
250.10666	1.3
262.10593	2.1
264.12421	2.9
268.11758	1.2
280.11713	4.0
282.13312	4.7
285.05869	0.5
286.12894	3.2
300.11267	0.7
300.14389	9.7
303.30704	0.5
307.07910	1.1
309.09509	0.9
310.12784	0.8
316.11386	1.0
325.09161	19.9
326.09427	0.5
328.13754	2.2
398.23431	0.5
432.18823	2.6
460.15689	1.1
478.16846	4.1
520.17865	1.2
624.21490	1.7
756.25092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.5
55.01877	0.8
55.05519	1.1
57.03429	4.1
58.32806	0.4
58.55457	0.4
59.05011	0.7
61.02932	2.4
66.81212	0.4
69.03424	6.1
69.36426	2.1
71.01369	1.3
71.04990	6.5
73.02911	16.1
75.04492	0.9
79.05484	0.7
81.03413	2.6
83.04984	3.9
85.02900	16.9
87.04474	1.1
89.03915	3.4
91.05472	4.7
91.05879	0.4
93.05785	0.6
95.04973	0.8
97.02882	9.8
98.22708	0.9
99.04468	0.6
101.06044	0.6
104.21670	0.4
107.04962	1.6
109.02888	0.5
111.04421	2.7
115.03897	3.2
115.05422	0.4
117.03358	4.3
117.05733	0.8
118.06528	0.9
119.04935	4.3
121.06515	1.2
122.06049	1.2
127.03915	1.2
129.05473	2.7
132.08064	3.3
133.04982	1.3
133.06512	0.6
135.04410	9.7
135.06741	0.8
136.07564	8.7
139.03845	0.6
145.02841	9.5
146.03131	0.5
146.06042	1.2
147.06592	1.6
148.07545	1.0
149.08328	0.7
152.07030	0.6
153.07838	1.1
154.08617	71.3
155.08952	1.4
157.04962	0.4
160.07568	16.1
161.08055	0.5
163.03891	100.0
164.04257	1.8
164.07071	2.1
165.07237	0.5
166.08629	6.1
174.09102	2.3
178.08621	10.1
180.10176	0.5
181.04909	3.6
182.79147	0.4
186.09204	0.9
188.07065	0.7
190.08638	1.7
192.10188	0.8
196.09668	10.6
198.09216	0.7
202.08638	2.9
204.10086	0.5
206.08217	0.6
208.09729	0.7
213.59666	0.4
214.08502	0.6
216.10156	0.6
220.09673	9.2
221.10110	0.5
225.07602	0.6
226.08507	0.6
228.10281	0.8
232.09686	2.6
238.10603	1.0
244.09587	1.3
246.11230	2.1
249.74149	0.4
250.10677	1.4
261.09723	0.6
262.10770	2.0
264.12253	3.4
265.07175	0.7
268.11783	0.7
280.11707	5.2
282.13403	2.9
286.12814	2.8
298.12518	0.6
300.11859	0.4
300.14429	5.2
307.07959	1.2
309.09576	0.5
310.12674	0.4
316.11313	0.9
325.09149	19.9
328.13904	2.6
408.16287	0.9
414.17374	0.6
426.17297	0.6
432.18527	2.9
442.14322	0.4
460.15466	0.9
478.17087	4.6
520.18097	2.2
544.17633	0.6
588.20160	0.7
606.21600	0.8
610.20947	0.6
619.76501	0.5
624.22003	1.1
652.22174	0.7
765.52472	0.5
766.48187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05514	0.6
57.03421	1.9
57.12736	0.4
61.02918	1.0
66.65919	0.4
69.03425	3.9
69.98112	0.4
71.01346	0.8
71.04985	3.8
73.02916	7.6
81.03411	1.0
83.04977	3.0
85.02905	7.6
89.03896	2.3
93.88126	0.4
95.30108	0.5
96.33618	0.5
97.02897	6.1
99.04410	0.5
100.00390	0.4
109.02854	0.5
111.04420	1.9
115.03934	2.0
115.32011	0.5
117.03371	7.2
127.03928	0.4
129.05481	2.4
133.04938	1.1
134.03590	0.5
135.04425	0.6
139.03900	0.4
145.02840	29.4
147.06519	1.3
149.05977	2.5
163.03925	1.2
177.05461	100.0
178.05798	2.5
195.06587	1.5
208.32959	0.5
243.08725	1.0
316.57410	0.6
321.09729	0.7
334.09442	0.5
339.10727	27.3
340.10995	1.3
674.70868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2181
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
55.01875	0.3
55.05506	0.8
57.03431	2.7
59.12182	0.3
61.02892	0.4
68.99774	0.4
69.03427	1.2
69.16466	1.0
69.16875	1.2
70.06579	0.8
71.01346	0.5
71.04989	14.7
73.02904	1.3
75.04455	0.7
81.03397	0.5
83.04979	3.7
85.02900	19.8
86.09692	0.5
87.04462	0.4
95.04964	0.7
97.02883	1.3
98.22699	0.6
99.04434	0.9
101.05979	0.3
107.04851	0.3
109.02908	0.6
111.00805	0.9
111.04433	2.4
113.05997	0.3
117.05483	0.9
121.02858	1.1
127.03919	0.9
129.05472	6.1
137.02303	2.9
145.04919	0.8
147.06543	1.8
149.02338	0.4
153.01788	2.5
153.05479	0.7
163.03900	1.1
163.06129	0.7
165.01848	1.7
171.06505	0.6
181.04884	0.6
183.02885	0.7
191.38045	0.3
201.05498	1.1
214.56525	0.3
229.04907	3.3
239.09180	0.6
247.05939	0.5
257.04489	2.5
261.03708	0.4
274.04587	0.3
285.03909	1.3
287.05603	0.7
303.04968	100.0
304.05377	3.6
315.05008	0.7
322.12753	0.3
327.05215	0.4
345.05908	1.3
369.06177	0.6
395.07559	0.4
413.08304	0.5
431.09946	0.5
449.10687	2.4
465.10291	1.3
484.82117	0.4
713.29254	0.4
757.41895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2176
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.05493	0.8
57.03438	2.3
61.02925	0.5
69.03416	2.1
69.09743	2.8
69.10138	0.9
71.01335	0.6
71.04991	12.8
73.02908	1.3
83.04962	4.0
85.02898	15.4
87.04450	0.5
95.04958	0.6
97.02879	1.3
108.61131	0.5
109.02849	0.7
111.00773	0.5
111.04430	1.8
111.68594	0.4
117.05405	0.5
121.02872	0.8
121.10101	0.5
125.05997	0.5
127.03880	0.6
129.05490	5.1
137.02278	2.9
143.21834	0.5
145.04941	0.6
147.06461	2.2
149.02368	0.7
153.01790	2.5
153.05513	0.7
163.03899	0.6
163.06047	0.8
165.01830	1.5
171.06487	0.7
201.05530	1.3
229.04938	3.2
239.09035	0.8
257.04446	2.7
257.06946	0.4
257.10120	0.5
285.03952	1.1
287.05649	0.7
303.04956	100.0
304.05237	3.5
345.06033	1.3
431.09808	0.5
449.10553	1.2
465.10535	1.0
727.86932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.2
55.01836	0.3
57.03434	1.3
58.48559	0.1
58.93398	0.2
61.02898	0.4
65.86018	0.2
68.99780	0.3
69.03426	1.0
69.91768	0.3
71.04992	6.5
73.02885	0.4
75.04434	0.4
81.03387	0.5
83.04967	0.4
85.02900	9.9
87.04451	0.3
97.02887	1.0
98.22708	0.2
99.04440	0.3
109.02828	0.5
110.46285	0.1
111.00778	0.4
111.04448	0.3
111.05551	0.2
114.78671	0.1
121.02862	1.9
127.03874	0.7
129.05470	1.9
133.02777	0.3
137.02318	0.5
145.04921	0.6
147.04359	0.4
147.06468	0.4
153.01816	2.2
157.06454	0.2
161.05847	0.1
163.03934	0.2
165.01833	1.2
173.59244	0.2
178.42484	0.2
182.13399	0.1
183.02829	0.6
185.06046	0.2
186.70152	0.2
213.05432	0.8
231.06461	0.5
241.04948	0.6
258.05225	0.8
259.05966	0.3
287.05469	100.0
288.05835	3.6
299.05597	0.3
329.06641	0.4
449.10748	19.1
450.10904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05506	0.8
57.03431	2.7
59.12182	0.3
61.02892	0.4
68.99774	0.4
69.03427	1.2
69.16466	1.0
69.16875	1.2
70.06579	0.8
71.01346	0.5
71.04989	14.7
73.02904	1.3
75.04455	0.7
81.03397	0.5
83.04979	3.7
85.02900	19.8
86.09692	0.5
87.04462	0.4
95.04964	0.7
97.02883	1.3
98.22699	0.6
99.04434	0.9
101.05979	0.3
107.04851	0.3
109.02908	0.6
111.00805	0.9
111.04433	2.4
113.05997	0.3
117.05483	0.9
121.02858	1.1
127.03919	0.9
129.05472	6.1
137.02303	2.9
145.04919	0.8
147.06543	1.8
149.02338	0.4
153.01788	2.5
153.05479	0.7
163.03900	1.1
163.06129	0.7
165.01848	1.7
171.06505	0.6
181.04884	0.6
183.02885	0.7
191.38045	0.3
201.05498	1.1
214.56525	0.3
229.04907	3.3
239.09180	0.6
247.05939	0.5
257.04489	2.5
261.03708	0.4
274.04587	0.3
285.03909	1.3
287.05603	0.7
303.04968	100.0
304.05377	3.6
315.05008	0.7
322.12753	0.3
327.05215	0.4
345.05908	1.3
369.06177	0.6
395.07559	0.4
413.08304	0.5
431.09946	0.5
449.10687	2.4
465.10291	1.3
484.82117	0.4
713.29254	0.4
757.41895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01859	0.6
55.05492	0.6
55.59139	0.1
57.03437	1.9
59.05003	0.1
61.02928	1.1
63.02361	0.2
69.03074	0.2
69.03426	3.0
71.01357	0.7
71.04991	4.1
73.02913	7.3
73.04714	0.1
75.04470	0.4
79.05483	0.4
81.03412	0.7
83.04975	2.9
85.02901	7.8
87.04457	0.3
89.03908	1.9
91.05479	0.4
95.04961	0.3
97.02883	5.5
98.23508	0.3
99.04453	0.5
101.02354	0.3
103.03922	0.3
107.04964	0.8
109.02859	0.4
111.04456	1.7
113.02328	0.1
113.05984	0.2
115.03917	2.1
117.03382	2.8
119.04922	1.1
121.06500	0.3
125.06009	0.1
127.03895	0.6
129.05467	2.4
133.04961	1.3
135.04407	7.1
136.04726	0.2
137.05984	0.2
139.03879	0.5
145.02838	6.9
146.03217	0.2
147.04405	8.1
147.06383	1.4
148.04742	0.2
163.03889	100.0
164.04221	2.1
165.05504	0.3
167.14543	0.1
169.04953	0.2
171.06499	0.3
181.04935	2.0
225.07605	0.6
243.08624	0.5
261.09634	0.5
279.10681	0.3
291.08551	0.2
295.08139	0.4
296.13373	0.2
307.08261	0.8
309.09650	2.3
325.09155	23.8
326.09393	1.1
457.13214	0.2
570.60223	0.1
587.44617	0.1
618.85803	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01863	8.7
55.05512	29.5
57.03428	16.4
60.08159	3.8
61.02921	3.9
62.78993	2.4
63.81984	2.4
65.03926	3.3
67.05503	78.7
69.03433	6.1
69.07069	37.8
69.18193	2.5
71.04996	5.4
71.07387	4.2
71.42821	2.4
73.04723	3.1
79.05492	61.9
81.03416	10.8
81.07056	91.4
83.04977	12.3
83.08619	27.5
85.02896	5.7
85.06544	3.6
86.09710	24.8
91.05444	40.5
93.07038	71.9
95.04948	15.9
95.08607	32.1
97.02897	4.1
97.06535	21.1
97.10172	11.4
98.98460	2.9
99.08065	4.3
105.04491	3.8
105.07029	37.9
107.04957	6.3
107.08594	41.7
109.06531	6.5
109.10130	13.7
111.08090	9.2
117.07006	16.7
119.08567	27.1
121.06514	3.6
121.10140	22.2
123.08058	3.4
123.11700	4.0
125.00002	21.6
125.09631	12.1
129.06981	8.0
131.08572	20.6
132.08075	2.9
133.08894	7.7
133.10124	25.1
135.08096	5.2
135.11717	14.4
139.11182	3.4
141.06889	3.2
141.30887	2.7
143.08566	5.8
145.10106	17.7
147.11679	14.5
149.09605	11.3
149.13258	26.4
151.11183	2.8
155.08408	2.5
157.10063	4.2
159.11688	18.8
161.13268	5.5
163.11176	7.1
167.05528	5.4
169.10095	5.7
171.11630	3.3
173.13232	5.2
175.11177	3.6
175.14836	2.5
177.12846	4.5
183.11639	3.5
184.07336	100.0
185.13277	4.0
187.14771	2.8
189.11226	6.3
193.12206	5.3
195.13773	11.9
225.04283	2.9
227.12779	22.1
239.09436	3.2
239.18094	3.2
257.18994	8.7
259.20541	5.7
259.32690	2.5
262.18021	42.5
269.17471	73.6
275.19989	34.8
283.10693	2.6
285.16705	3.6
299.05945	5.9
331.22714	4.8
333.24359	5.1
349.23752	30.4
423.27597	4.6
439.27051	14.3
447.30823	3.7
449.29352	5.8
455.12674	2.7
463.30426	21.2
485.33072	2.6
503.33450	3.0
525.35559	8.0
543.36835	70.7
544.36652	5.0
561.37463	7.8
748.59735	3.0
758.48212	27.3
759.37097	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01874	8.2
55.05508	25.4
55.29853	1.6
55.58661	1.6
57.03442	16.9
57.07069	2.9
60.08153	4.2
61.02938	4.0
62.93748	1.6
65.03952	3.2
67.05504	80.9
67.09434	1.6
69.03431	4.8
69.07064	35.3
71.04993	7.6
71.07394	2.4
73.02912	2.2
76.30907	1.6
79.05493	60.0
79.05952	3.6
81.03421	12.1
81.07057	100.0
83.04968	9.8
83.08614	18.8
85.02902	5.4
85.06539	5.4
86.09704	18.1
91.05463	47.3
91.05975	2.7
93.06445	4.0
93.07040	80.1
95.04967	11.8
95.08612	33.1
95.94663	1.6
97.02880	4.8
97.06525	15.4
97.10146	8.1
98.98469	2.6
99.08072	4.7
104.10744	2.2
105.04514	3.4
105.07033	26.0
107.04965	5.7
107.08592	49.1
109.06522	5.8
109.10137	11.8
111.08106	8.4
115.05426	2.5
117.07002	16.7
119.08590	18.0
121.06517	4.9
121.10141	23.2
123.08024	2.2
123.11698	7.0
125.00024	10.8
125.09645	9.0
127.03895	3.1
128.06184	2.6
129.06985	4.6
130.07747	1.8
131.08574	21.3
133.06543	1.6
133.08974	3.1
133.10118	27.5
135.08051	2.9
135.11679	18.1
137.09633	3.4
143.08569	2.6
145.10129	12.3
147.11703	10.9
149.09601	9.4
149.13252	27.8
151.11192	3.6
153.09032	2.2
157.10136	5.9
159.11708	21.6
161.09575	2.1
161.13254	3.6
163.11153	7.3
164.85278	1.8
167.05447	2.8
169.10109	3.2
171.11649	3.0
173.13257	3.8
177.12718	8.6
179.14275	2.7
183.11743	2.6
184.05666	2.8
184.07335	52.0
189.11240	3.6
192.00220	1.8
195.13800	17.4
197.13211	3.0
207.99548	1.6
227.12711	14.5
229.19469	1.8
239.17937	3.0
255.15910	4.2
257.19022	7.0
259.20456	1.7
262.18066	12.6
269.17456	89.3
270.17639	2.8
275.20099	24.7
291.19315	2.6
299.06284	4.7
331.22803	2.7
344.97360	1.7
349.19913	2.5
349.23779	22.3
365.22824	2.5
423.27344	4.0
439.26828	5.8
445.29333	2.6
447.31186	2.0
449.28970	16.9
463.30536	87.2
464.30972	4.7
525.35754	4.0
543.36829	48.4
544.37531	1.8
561.37787	9.9
607.34888	3.9
758.47925	7.4
759.38831	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01870	5.8
55.05507	20.0
57.03435	12.9
57.07081	1.9
59.04999	3.0
59.53126	1.0
60.08158	4.6
61.02918	3.6
65.03934	2.6
67.05500	61.9
68.05841	1.3
68.78502	1.1
69.03437	2.6
69.07063	18.9
69.44420	1.2
69.44715	5.8
69.94009	0.9
71.01360	1.9
71.04993	3.9
71.07373	2.3
73.02913	1.5
79.05488	48.5
80.45237	1.2
81.03415	11.9
81.07052	59.5
83.01337	1.2
83.04981	16.9
83.08615	12.1
85.02901	7.2
85.06546	3.1
86.09697	19.3
91.03958	1.7
91.05472	27.4
93.07039	58.5
95.04964	11.5
95.08601	42.5
97.02898	6.4
97.06538	8.1
97.10152	5.4
98.98465	2.8
99.04435	2.7
105.04532	1.9
105.07027	20.1
107.04947	11.6
107.08591	29.4
109.02927	1.4
109.06537	4.4
109.10152	19.5
111.04428	15.9
111.08048	5.4
111.11720	2.2
112.04839	1.0
113.09592	1.0
115.05479	1.3
117.07030	10.0
119.08578	20.9
119.09418	1.4
120.78382	1.0
121.06506	4.7
121.10136	40.4
121.10992	2.1
123.08068	4.7
123.11731	4.5
125.00003	13.4
125.06007	2.6
125.09646	2.0
129.07014	3.3
130.07770	2.1
131.04912	1.1
131.08549	14.4
133.10117	9.1
135.08063	4.2
135.11685	28.9
135.12645	2.0
137.09637	3.2
137.13240	1.9
139.07559	1.3
139.11188	8.7
143.08598	1.8
145.10121	24.9
147.08061	2.0
147.11694	6.1
149.09615	4.7
149.13287	5.1
151.11159	1.4
153.12750	13.4
155.08575	2.7
157.10088	1.6
159.11690	4.2
161.09657	1.7
161.13261	2.1
163.11177	32.0
163.14850	2.3
167.05580	1.8
171.11769	2.1
173.09599	6.6
173.13300	3.8
181.12239	13.3
184.07326	77.1
185.11690	4.3
185.13239	1.7
187.14810	1.8
189.41235	1.1
191.10661	12.3
201.16394	1.2
209.11702	14.5
227.12747	20.7
243.21161	3.2
245.13795	16.2
261.22110	14.9
265.14398	3.0
283.15378	30.0
284.15839	1.5
299.06226	1.2
299.23541	1.5
301.16437	79.0
302.16766	2.2
313.17932	1.3
317.24710	3.2
335.25781	100.0
336.26096	3.8
377.70740	1.1
451.32019	2.9
469.33118	2.2
470.18338	1.1
516.13464	1.4
525.35828	4.9
543.28412	2.1
543.36774	28.9
544.36847	2.2
561.37811	78.2
562.38275	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01859	13.0
55.05509	27.5
57.03445	19.2
57.07073	2.7
58.18474	1.9
59.05024	1.8
60.08154	9.6
61.02920	4.9
65.03926	3.4
67.05500	87.2
69.03423	3.4
69.07060	20.4
69.23016	11.9
71.01351	2.6
71.04990	5.9
71.07372	5.0
73.02961	2.3
77.03875	2.1
79.05492	65.2
81.03421	19.9
81.07052	78.7
83.04985	25.1
83.08611	19.0
85.02904	9.0
85.06541	3.9
86.09703	27.1
91.05447	37.6
93.06447	3.9
93.07041	76.3
94.07322	3.0
95.04966	23.5
95.08604	53.1
97.02898	10.4
97.06537	11.5
97.10159	10.2
98.98441	4.6
99.04455	5.1
99.08050	3.2
104.10795	2.1
105.04527	3.7
105.07028	29.4
107.04963	10.0
107.08582	44.0
109.06514	6.0
109.10149	32.2
111.04433	38.1
111.08057	12.6
117.07012	19.3
119.08571	30.7
121.06505	6.7
121.10136	36.7
123.08055	6.3
123.11718	6.9
125.00011	18.1
125.05964	4.2
125.09596	6.0
128.04945	2.1
128.06177	2.8
129.07005	6.3
131.08556	24.6
133.06468	2.5
133.10124	16.8
135.08049	2.9
135.11684	39.2
137.09578	3.7
143.08594	2.7
145.06490	2.8
145.10117	33.4
147.08066	4.3
147.11699	11.4
149.09633	7.5
149.13239	7.4
150.09120	2.1
151.11147	2.6
153.12741	16.6
155.08549	5.4
157.10178	4.7
159.11661	9.4
161.09645	3.6
161.13240	5.4
163.11194	38.8
163.14844	2.3
167.05498	2.2
169.10107	4.2
171.11771	4.4
173.09593	10.6
173.13245	6.9
175.14819	3.0
181.12254	25.8
184.07333	100.0
185.13220	2.8
189.11139	2.6
191.10661	21.5
197.13310	3.8
198.63232	2.0
205.12265	2.1
209.11708	24.0
217.20589	2.2
225.04193	2.2
227.12741	33.1
239.09441	2.1
243.20982	3.3
258.72195	2.2
259.48196	1.8
261.22083	17.6
265.14407	3.4
277.21561	2.5
283.15384	59.4
287.23413	2.0
299.06323	5.6
299.14813	2.2
301.16446	76.0
301.21533	4.0
317.24762	3.3
335.25778	88.7
336.26105	6.4
349.19971	3.2
422.25598	2.3
433.30884	2.5
451.32083	5.6
469.32938	7.5
525.35919	10.3
543.36823	50.2
544.37134	4.7
561.37830	60.4
562.37927	5.6
694.70709	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	758.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.7
55.01897	3.0
55.05503	8.5
57.03439	11.1
57.51010	2.2
60.08162	6.6
67.05499	27.8
69.03421	5.4
69.07079	16.4
70.71010	2.3
71.04993	8.5
71.43839	2.6
72.69270	2.4
73.04758	2.8
74.70480	2.2
76.71147	2.4
79.01894	2.4
79.05479	15.3
81.03423	24.1
81.07059	32.0
83.04980	5.3
83.08624	5.3
85.06544	6.7
86.09703	30.7
91.05398	11.9
93.07047	17.7
95.04962	43.6
95.08595	19.5
97.06525	11.4
98.98470	3.8
105.07021	12.9
107.08593	15.5
109.06521	12.9
109.10172	27.0
111.08103	7.5
117.07061	4.7
119.08593	14.3
121.06477	6.0
121.10152	9.2
123.04428	11.2
123.08066	22.2
123.11715	6.8
124.99998	23.3
125.09595	4.1
131.08559	8.0
133.10107	17.8
134.82671	2.4
135.08051	11.4
135.11682	8.7
137.09613	3.1
143.08571	5.9
145.06503	5.3
145.10083	12.7
147.08072	5.2
147.11693	9.1
149.09598	3.5
149.13246	4.4
151.07536	2.5
151.11162	14.6
153.00716	2.6
156.04236	2.4
157.10101	7.6
158.10901	6.0
159.08037	4.2
159.11682	15.9
161.09608	15.9
161.13269	8.1
163.11189	5.2
169.10110	3.6
171.11662	6.1
173.09657	8.4
173.13242	44.1
175.11208	6.0
177.09181	3.2
177.12759	3.6
179.10637	20.0
183.11729	3.1
184.07329	100.0
185.09683	7.1
185.13184	4.5
186.93340	2.6
187.14743	5.5
189.09067	4.8
189.12747	5.2
191.14314	56.3
193.12289	3.5
199.11008	3.3
199.14906	3.5
201.12646	3.6
205.12241	9.1
209.13474	5.0
209.15349	26.1
211.11192	4.0
211.14827	3.2
213.12732	3.7
219.13741	13.8
229.19531	20.6
231.13759	4.4
239.14316	4.1
239.17969	3.4
245.15431	3.6
253.15877	3.8
255.21185	6.3
257.15363	5.6
257.18936	15.9
267.17242	3.7
269.15109	3.6
271.16879	3.2
273.22141	14.7
275.20053	45.8
285.18512	5.4
287.16501	4.2
295.17007	7.7
301.20877	4.1
313.17944	80.4
331.19012	81.3
332.19360	4.5
335.25769	4.4
373.20111	6.1
391.21091	16.6
408.23795	9.7
503.37460	16.9
561.41351	13.9
646.18219	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	758.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01865	1.1
55.05508	18.7
56.04223	0.8
57.03434	6.2
57.07061	2.4
59.04983	0.8
60.08154	1.5
61.02913	3.3
63.60904	0.7
65.03938	2.3
67.05499	70.2
68.05827	1.0
69.03416	1.6
69.07066	12.3
69.10448	5.0
71.04986	22.7
71.08633	0.9
77.03922	1.6
79.05486	36.6
81.03411	2.2
81.07050	100.0
82.07372	1.3
83.04974	4.0
83.08622	9.1
85.02891	2.8
85.06544	5.9
86.09693	6.5
91.03925	1.1
91.05473	33.3
93.07038	43.5
95.04971	5.5
95.08601	30.2
95.09215	1.1
97.02898	1.6
97.06534	4.4
97.10155	2.9
98.98484	0.8
99.08061	1.3
105.04573	1.6
105.07030	15.4
105.49577	0.8
107.08585	20.2
109.06498	1.7
109.10143	13.4
111.08087	1.6
117.07006	6.4
119.08567	9.7
121.10136	15.2
123.08068	0.9
123.11694	13.3
123.32760	0.7
124.99992	4.3
125.09653	1.1
127.07470	0.8
129.06960	1.2
131.08562	8.8
133.10121	19.2
135.11691	10.3
139.79662	0.7
143.08511	0.8
145.10104	4.5
147.11708	4.1
149.13234	6.1
151.11153	5.3
153.12718	0.9
159.11719	6.2
161.13269	3.2
163.14847	1.1
169.12292	0.9
173.13239	2.5
175.14925	1.1
177.12775	1.6
179.14302	1.0
183.13809	2.8
184.07339	21.6
187.13278	4.0
187.14751	1.2
195.13766	1.6
197.13333	0.8
201.14745	0.9
227.16461	1.9
253.17923	1.1
257.03403	0.9
257.17438	1.5
259.20718	1.3
261.22125	2.4
269.17422	5.8
301.20065	20.5
310.22482	0.7
317.24683	1.3
335.21677	1.3
335.25751	24.8
393.31305	1.5
410.28616	0.8
411.32306	1.6
429.33746	0.8
437.33890	1.0
485.36121	4.0
502.46146	0.8
503.37277	92.1
504.37573	5.3
511.38062	1.0
517.39142	3.7
529.38837	11.7
530.39545	0.9
547.39990	0.8
561.41467	79.8
562.41736	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	759.2465
Annotation	Antibiotic UCN 1028A
Peak:m/z	Relative Intensity
56.17873	0.3
59.84643	0.4
69.83408	1.1
71.24146	0.3
83.04992	1.1
85.02921	1.7
91.05455	1.8
117.03384	1.2
119.04954	1.3
145.02811	2.3
149.05977	0.4
151.07561	2.3
177.05452	2.3
193.04750	1.9
261.07407	0.4
289.15152	0.4
335.11093	1.0
529.16760	2.6
565.19434	0.4
759.24597	100.0
760.24969	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01870	4.1
55.05263	1.9
55.05510	22.4
57.03434	17.0
57.07056	2.7
60.62713	2.0
65.03906	2.5
65.15385	1.8
67.05499	65.6
69.03442	2.2
69.07066	18.5
69.65275	8.1
71.04988	2.8
71.08603	2.3
79.05486	46.9
81.03410	100.0
81.07050	70.8
83.04961	6.1
83.08607	23.2
85.06544	4.4
86.09682	3.4
91.05470	38.2
93.06449	3.0
93.07034	53.0
95.04964	35.8
95.08595	43.8
97.02898	3.1
97.06532	5.7
97.10173	6.0
104.47130	2.0
105.04517	2.3
105.07013	29.3
107.04947	5.9
107.08588	25.8
109.06496	8.9
109.10139	18.4
111.04486	2.3
111.08063	8.3
117.07003	11.2
117.32892	2.2
119.08578	26.5
121.06514	5.2
121.10136	24.9
123.04421	2.0
123.08082	3.2
123.11691	7.9
125.09623	4.7
129.06993	8.2
131.08549	21.5
133.06505	4.2
133.10123	16.3
135.08099	2.9
135.11659	17.3
137.09561	3.3
137.13280	2.0
142.07768	3.6
143.08542	4.1
145.10091	13.0
147.08020	4.5
147.11668	16.6
149.09624	5.7
149.13269	8.3
155.08655	2.1
157.10100	11.0
159.08128	2.3
159.11697	7.8
161.13274	6.4
163.14795	3.4
171.11665	4.6
173.13263	6.2
175.11177	8.8
184.07329	10.9
185.13266	2.1
187.14795	5.6
189.11240	4.6
193.12212	23.3
196.19997	1.9
219.13664	2.0
227.12721	8.0
243.21057	6.7
249.14651	3.4
259.21133	2.2
261.22128	17.9
267.15878	97.6
268.15988	3.8
285.16818	2.5
299.23630	2.8
301.25241	7.6
302.16486	2.2
309.16730	3.2
317.24744	2.1
335.21777	4.5
335.25775	85.8
336.26096	5.2
380.27231	2.1
421.25500	2.9
435.26990	2.6
435.32608	6.7
453.33447	7.8
471.34467	5.9
527.37256	61.8
528.37775	5.1
545.38312	51.9
546.38721	4.1
563.39063	5.3
569.38068	3.6
756.30249	2.1
760.42316	8.3
761.40112	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	760.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01870	3.5
55.05507	22.9
57.03430	22.2
57.07080	2.8
61.02955	2.0
65.03938	2.8
67.05502	68.4
68.99738	1.6
69.03430	5.6
69.07062	16.4
69.21154	11.2
71.04987	2.5
79.05488	58.2
81.03413	100.0
81.07052	72.0
82.07427	1.7
83.04961	9.4
83.08613	26.6
85.02911	5.4
86.09681	2.3
91.05472	40.4
93.07041	57.1
93.07606	3.4
95.04964	29.7
95.08602	49.1
97.02914	3.7
97.06542	5.2
97.10178	7.2
103.05545	1.9
105.04533	2.7
105.07018	28.8
107.04960	8.2
107.08591	29.2
109.06512	5.5
109.10136	18.0
111.08087	5.3
112.18127	1.7
113.09650	2.0
115.05412	2.9
117.07009	11.5
119.08575	27.4
121.06542	3.8
121.10144	29.2
123.08056	3.4
123.11721	8.0
125.09629	5.3
129.06985	16.0
131.08563	20.9
133.06541	2.7
133.10133	14.4
135.08047	3.0
135.11681	13.5
137.09656	3.4
137.13277	1.9
142.07793	4.5
145.10126	10.4
147.08003	2.1
147.11679	12.7
149.09619	6.0
149.13268	6.6
155.08556	2.0
157.10124	11.9
159.11687	8.6
161.13245	6.2
163.14781	3.3
171.11647	4.1
173.13309	6.0
175.11177	10.5
175.14836	2.7
184.07352	7.2
185.13409	2.1
187.14792	3.3
189.11212	4.9
191.14452	2.2
193.12221	23.3
201.16582	2.0
227.12822	7.1
243.21048	6.7
251.92583	2.2
259.13010	1.9
261.22116	19.4
267.15887	93.4
268.16385	3.0
287.23941	2.6
301.25140	3.7
309.16922	2.8
317.24728	4.2
335.25790	89.1
336.26190	3.5
340.05698	2.0
359.25638	2.9
417.26392	2.0
435.27133	2.7
435.32617	5.6
453.33640	9.7
466.21783	2.3
471.34525	6.2
509.36395	2.6
515.04901	2.0
527.37231	56.3
528.37469	5.5
545.38245	46.6
545.46075	3.8
546.38995	3.9
557.63086	2.2
563.39087	4.3
569.38074	2.0
637.11713	1.9
717.72906	1.9
760.43079	47.2
761.42029	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	761.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
73.02360	0.6
73.02916	0.7
84.11875	0.6
84.48313	0.6
97.02895	0.9
98.97573	1.5
101.55395	0.6
111.73279	0.6
116.98600	0.7
122.78460	0.7
135.82567	0.7
145.02856	1.4
163.03897	6.7
164.04227	4.1
165.04460	0.7
181.12680	0.6
219.01772	1.1
225.04355	0.8
237.02855	1.4
243.05632	1.0
267.05447	1.2
325.09058	0.8
361.72836	0.6
369.08572	2.1
387.09631	1.2
531.13733	4.8
573.14972	3.2
761.22504	100.0
762.22784	6.8
782.35919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
57.03452	0.5
65.29082	0.4
67.05505	1.5
79.05508	0.7
81.07049	1.2
85.02914	0.5
86.09729	1.2
91.03961	0.5
91.05481	0.7
93.07057	0.4
95.01155	0.4
95.08603	1.0
98.08508	0.4
98.22666	1.3
105.07039	0.4
119.72180	0.4
125.00014	0.5
134.25240	0.4
135.25974	0.5
142.02002	0.4
161.75818	0.4
184.07347	2.5
207.43665	0.4
216.95364	0.4
243.93771	0.5
265.08640	0.5
278.52490	0.5
285.17041	0.6
291.61038	0.4
293.38693	0.5
335.25946	0.8
357.33072	0.5
514.52826	0.5
535.26691	1.1
761.38684	100.0
762.39130	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	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.6
55.11684	0.7
57.03429	1.2
64.99208	0.6
67.05497	7.2
69.07055	1.6
71.05005	0.7
79.05473	4.3
80.75836	0.7
81.03418	0.8
81.07047	5.2
81.90812	0.6
83.08604	1.9
85.02930	0.8
86.09711	1.0
87.13318	0.8
91.05502	3.0
93.07021	4.8
95.04982	1.1
95.08605	3.7
97.06543	0.8
97.10144	1.2
98.23426	1.9
105.07030	1.1
106.07329	0.8
107.08602	1.9
109.10177	3.0
119.08620	1.3
121.10120	1.7
125.09668	1.2
125.50551	0.8
133.10130	1.2
145.10117	0.8
164.29230	0.7
178.15427	0.6
184.07364	3.8
185.07674	0.8
229.14458	2.1
230.14589	0.9
285.16830	0.9
335.25967	3.0
336.26309	2.8
358.82932	0.7
406.99637	0.8
478.35895	1.5
490.36011	0.9
602.92383	0.7
708.88074	0.8
739.66461	0.9
761.38660	100.0
762.39185	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	761.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73974	0.5
55.01856	0.6
55.05511	1.3
57.03432	1.9
61.02921	3.5
62.98244	0.9
63.82909	0.6
67.05502	4.4
69.03414	2.8
69.07053	1.3
70.62066	1.2
71.04980	0.8
73.02919	3.4
75.10541	0.6
79.05486	5.5
81.03409	1.5
81.07058	4.3
83.08591	0.9
83.16447	0.5
85.02900	3.2
89.28187	0.6
91.03961	2.2
91.05457	3.6
93.07032	5.9
95.04963	1.2
95.08597	3.0
97.02887	3.7
99.04451	0.6
101.02374	1.1
105.07018	3.3
107.08589	2.7
109.10162	1.1
117.06979	1.4
119.08559	2.9
121.10159	2.2
127.03915	1.3
129.05367	0.7
133.10152	2.6
135.11638	2.9
145.10136	1.6
147.11694	1.3
163.11238	2.0
164.56638	0.6
173.13272	0.9
184.07367	2.3
185.04282	0.7
227.12823	1.5
243.08398	4.4
247.18167	0.9
249.10945	11.5
255.13379	0.6
265.19037	1.0
286.03439	0.6
301.09113	1.4
305.13687	1.2
315.10477	1.0
347.14529	1.2
371.16879	0.7
397.18015	0.7
465.20959	0.7
467.13202	1.2
467.18753	7.8
535.28717	8.7
539.21021	1.8
540.48193	0.6
546.73639	0.6
592.82996	0.6
623.29919	0.7
665.90588	0.7
701.36487	0.8
732.97955	0.7
761.40643	100.0
762.41223	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	761.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.33057	0.6
55.01873	0.9
55.05507	3.3
57.03431	2.2
61.02928	5.3
67.05505	7.4
69.03428	3.7
69.07065	4.3
69.29774	3.0
71.04984	0.9
73.02910	3.7
73.47169	0.5
75.52825	0.5
79.05493	4.2
81.03410	2.9
81.07060	6.9
82.61272	0.5
83.08626	1.9
85.02902	5.2
91.03935	3.0
91.05467	3.7
93.07045	6.1
95.04957	0.9
95.08619	2.7
97.02894	5.6
97.06537	1.3
97.10187	1.7
101.02405	1.7
105.07026	1.3
107.08591	3.3
109.06503	0.6
109.10152	1.2
111.04389	0.5
111.08167	0.6
115.03923	0.7
117.07037	1.4
119.08556	0.8
121.10157	2.5
125.00040	1.0
125.09657	0.9
127.03962	1.7
131.08641	0.9
132.07957	0.5
133.10135	1.2
135.11707	0.8
138.20091	0.7
149.13258	3.4
159.11731	1.7
184.07385	2.1
185.04221	0.5
201.97406	0.5
203.05464	0.6
215.08034	0.6
223.13341	1.3
226.10905	0.5
235.13068	1.3
243.08334	4.7
269.17630	0.7
291.19418	1.4
324.40384	0.5
331.18890	2.4
404.76352	0.6
453.20938	12.7
453.26892	0.9
549.26532	3.0
761.40717	100.0
762.41003	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01871	0.9
55.05519	1.8
57.03440	1.8
59.25832	0.6
61.02930	3.9
62.36385	0.7
65.33921	0.6
67.05505	5.2
69.03421	3.0
69.07074	2.2
69.68025	0.7
71.43038	0.6
73.02913	3.9
79.05505	3.5
81.03423	1.8
81.07059	5.7
83.04985	0.8
83.08622	1.2
85.02908	4.6
91.03986	2.0
91.05484	2.6
93.07042	5.8
95.04972	1.2
95.08613	1.3
97.02917	4.0
97.10168	0.9
99.04475	0.7
99.71442	0.6
101.02396	1.6
105.07053	1.2
107.05001	0.6
107.08619	2.7
109.02910	0.7
109.10194	1.3
117.07014	1.1
119.08646	0.9
121.10178	0.7
125.09670	0.8
131.08667	0.9
133.10144	2.4
149.02411	0.6
149.13341	1.4
159.11731	0.8
165.12926	0.7
173.13332	0.6
184.07367	2.8
185.04240	0.6
186.15987	0.6
195.13852	1.2
196.07462	1.0
223.13367	1.1
235.13170	0.8
243.08394	3.4
269.17542	0.8
291.19644	1.1
331.18866	1.8
371.18118	0.8
387.21344	0.9
453.20956	8.7
549.26654	3.9
563.03186	0.7
761.40741	100.0
762.41077	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	762.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05510	10.9
58.30141	1.0
69.03419	3.2
70.06574	1.8
71.42833	1.0
72.64929	0.9
73.02884	1.4
74.28222	0.9
74.44152	1.0
75.77920	0.9
81.03408	4.4
81.07048	5.1
82.04887	1.0
83.04975	100.0
85.02905	9.0
87.00812	3.8
93.07037	1.1
97.02889	5.4
99.04438	1.0
105.01826	3.0
109.02875	4.6
109.06451	1.9
127.03920	6.8
129.20857	1.1
143.08556	1.7
145.04993	1.7
167.93073	1.1
185.13152	1.3
189.03877	1.7
213.12749	2.8
231.13831	11.7
273.05942	2.2
411.44962	1.3
542.02118	1.1
718.33026	1.7
762.31885	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
65.03926	0.5
67.05475	1.0
69.03395	0.5
69.07040	0.7
69.49767	1.2
69.50179	0.6
70.06562	1.4
78.08222	0.3
79.05471	0.7
81.03386	1.0
81.07008	0.4
85.02866	0.8
91.05490	0.7
93.07034	0.6
94.06562	2.7
95.04935	0.9
97.02885	0.7
97.06518	0.6
98.11250	0.3
108.04440	0.5
110.06034	0.6
117.03304	0.4
118.06516	0.4
119.08495	0.4
121.10069	0.4
122.06024	7.3
127.03827	0.4
129.06923	0.5
132.08052	0.5
134.05965	0.5
135.43730	0.3
136.07567	2.1
140.06169	0.4
140.07072	4.2
143.08484	0.5
144.04407	0.9
146.05995	4.0
146.09593	0.4
150.05470	1.3
153.06996	0.4
154.06506	0.5
155.07274	0.7
155.08560	0.8
155.86095	0.4
157.08833	0.5
157.10059	0.7
158.05957	0.5
158.09717	0.4
160.07603	0.4
161.07166	0.8
162.05444	1.2
162.06720	0.4
162.09111	0.8
163.03802	0.4
168.07991	0.5
169.08844	0.5
170.09642	4.2
172.03938	6.5
172.07576	1.2
172.09888	0.8
172.11208	1.2
173.07092	0.5
173.08383	0.4
174.05510	1.7
174.09157	1.1
175.08627	1.2
177.05435	0.6
180.07967	0.3
180.10201	0.6
181.04919	0.4
183.06815	0.9
184.07440	0.6
184.11169	0.6
186.05708	0.4
186.09129	0.5
187.08681	0.5
187.12303	5.4
188.10646	0.6
189.10149	0.5
197.08391	0.4
198.09128	24.2
199.09734	0.7
200.09212	3.1
200.10797	1.1
201.13878	0.8
204.06546	8.6
206.08119	3.9
208.09752	0.4
212.10767	4.6
213.10048	0.5
215.11781	20.5
216.12102	0.5
225.10188	0.9
226.08629	7.4
226.10849	0.5
227.08226	0.6
227.11757	1.6
228.08926	1.0
229.09732	0.5
229.13306	1.0
230.10510	0.7
231.11156	0.8
237.10284	0.6
239.11769	0.6
240.10353	2.4
241.09711	1.9
241.13332	1.1
243.11267	92.0
244.11662	2.3
255.08624	0.3
255.11266	5.9
257.12823	5.9
267.11420	0.9
271.83728	0.4
279.11475	0.5
283.10834	2.3
285.12317	100.0
286.12646	3.3
293.49393	0.4
303.13446	2.6
306.08273	0.5
313.11786	1.1
331.12885	0.7
337.10660	1.2
338.11053	2.0
345.14432	3.3
347.15826	0.6
401.13455	2.7
414.14603	0.4
417.12903	7.5
419.14456	41.7
420.14819	2.1
428.16611	0.4
445.59210	0.4
456.15451	0.7
556.19232	1.0
572.16437	0.6
590.17810	1.6
597.23608	0.9
622.23755	0.5
687.26349	0.8
713.24738	0.9
731.25372	3.2
763.36786	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74290	0.3
55.01841	0.5
55.31155	0.4
63.02368	0.5
65.03918	0.4
67.05482	1.0
69.03409	0.4
69.07030	1.4
70.06579	0.8
70.16875	1.0
70.88523	0.3
79.05457	0.7
81.07013	0.5
89.03879	1.1
91.05458	0.5
94.06087	0.3
94.06555	3.8
95.04950	0.7
97.02898	0.5
97.06489	0.5
105.06985	0.5
108.04388	0.3
108.08138	0.4
110.06008	0.7
112.07584	1.0
116.04952	0.6
117.03333	1.3
118.06561	0.4
122.06023	11.2
123.04409	0.5
124.07508	0.4
131.08533	0.4
134.06020	0.6
136.07567	2.3
137.05968	3.3
138.06297	1.0
140.06036	0.7
140.07054	11.0
144.04480	1.6
145.02834	2.4
145.05112	0.4
146.05998	9.2
150.05458	1.2
154.07814	0.4
155.07338	0.8
155.08543	0.9
156.12669	0.4
158.06013	0.4
160.07614	0.7
161.07115	0.5
162.05486	1.4
162.09138	0.5
163.03908	0.6
169.08864	0.4
170.09654	3.4
172.03920	9.6
172.07515	0.9
172.09912	1.3
172.11198	1.4
173.04735	0.8
173.08430	0.5
174.05513	5.2
174.09099	0.7
175.08588	1.0
177.05444	4.3
178.08611	0.4
181.04915	1.6
183.06754	0.6
184.07500	0.6
184.11186	0.4
185.08350	0.4
186.09129	0.7
187.12277	4.6
188.07034	0.4
191.05786	1.6
192.06462	0.5
197.08363	0.6
198.09132	18.8
199.08620	0.5
199.09711	0.4
200.09186	2.4
200.10927	0.8
203.37250	0.3
204.06548	13.1
205.07039	0.5
206.08141	5.1
210.09123	0.4
211.08417	0.4
212.08981	0.8
212.10893	3.8
213.10251	1.5
215.11768	16.7
216.10155	0.6
225.10216	1.2
226.08714	4.5
227.08153	0.6
227.11845	2.2
228.08832	1.0
229.13408	0.8
231.11182	1.5
237.10121	0.6
239.11829	0.7
240.10435	2.6
241.09666	2.7
241.13321	1.3
242.10504	1.4
243.11264	81.2
244.11627	2.6
249.10197	0.5
251.11649	0.4
255.11290	8.7
256.11880	0.8
257.12784	5.0
267.11307	0.8
279.11365	0.6
283.10666	4.2
284.11548	0.6
285.12308	100.0
286.12677	3.5
303.13449	2.0
313.11761	5.6
331.12943	1.4
345.14474	3.8
347.15765	0.5
363.15604	0.4
401.13321	3.4
412.17532	0.6
414.14453	0.6
417.12933	7.3
419.14444	44.8
420.14749	2.1
429.14218	0.6
456.15359	0.9
471.17603	1.0
487.10333	0.4
546.18939	0.7
590.17511	3.9
591.16913	0.4
597.23389	0.8
605.20068	1.0
611.24847	0.5
622.20978	0.8
687.26624	0.8
713.25085	0.5
731.25439	3.1
745.27380	3.0
746.27032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05519	1.4
57.03431	1.1
58.07405	0.6
61.02924	3.3
67.05507	4.3
69.03444	2.7
69.07064	1.6
69.26884	2.3
73.02901	3.0
79.05481	2.8
80.24524	0.5
81.03421	2.3
81.07058	3.6
83.08647	0.7
85.02902	3.7
86.09729	1.2
87.04510	0.6
91.03969	2.3
91.05495	1.9
93.07034	2.6
95.04979	0.8
95.08598	2.9
97.02901	2.9
99.04437	0.7
101.02393	1.5
105.07042	0.7
107.08616	2.0
109.10184	1.2
115.95267	0.5
119.08604	1.0
121.10155	0.6
127.03918	1.4
131.08591	0.9
133.10135	0.6
135.11668	1.3
142.04555	0.5
145.10133	0.8
147.11752	0.7
158.71518	0.6
161.33708	0.5
162.36877	0.5
163.11165	0.7
176.89169	0.6
184.07356	2.8
203.13641	0.5
204.24773	0.6
225.83864	0.6
243.08493	1.5
252.29497	0.6
267.12030	0.8
267.16031	1.3
337.27390	0.6
441.16803	0.7
467.18896	1.1
485.20026	2.4
519.29254	3.6
745.41571	2.0
763.41095	100.0
764.41461	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	763.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03444	0.9
61.02918	3.3
65.40804	0.7
67.05509	2.8
69.03405	2.0
69.07063	1.2
71.04945	0.7
73.02910	2.8
79.05480	1.9
81.03394	1.6
81.07056	3.0
85.02907	2.2
86.09692	0.9
91.03947	1.6
91.05443	1.2
93.07044	2.5
95.04967	1.6
95.08627	2.1
97.02883	1.6
97.06560	1.0
101.02374	1.1
105.07062	1.0
107.08584	1.4
109.10134	0.8
111.04449	0.8
119.08591	0.8
124.99986	1.1
131.08551	0.8
135.11728	1.0
184.07295	3.4
193.12379	0.9
198.80809	0.7
208.22946	0.8
255.59387	0.7
337.27109	1.0
485.19580	2.1
519.29297	3.3
538.91638	0.9
745.41339	1.8
763.41016	100.0
764.40961	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	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.03439	2.3
59.67953	0.7
61.02650	0.9
61.02916	4.4
67.05499	5.1
69.03429	3.4
69.07076	2.9
69.25362	1.6
69.25768	1.8
72.67469	0.6
73.02904	3.6
79.05489	4.9
81.03425	2.9
81.07053	5.9
83.08621	1.2
85.02900	5.1
91.03970	2.2
91.05498	2.5
93.07043	5.0
95.04964	1.3
95.08616	3.1
97.02910	2.8
98.23438	1.2
98.27947	0.8
99.04457	1.0
101.02407	2.1
105.07044	1.8
107.08619	2.6
109.02908	0.8
109.10188	1.0
110.54988	0.7
111.08072	0.9
117.07002	0.7
119.08582	1.5
121.10163	1.9
127.03938	0.8
131.08546	1.1
133.10129	1.4
135.11731	1.5
145.10272	0.8
146.44099	0.7
149.13295	2.5
235.13084	1.6
243.08366	3.2
333.20551	1.1
408.40158	0.7
437.21274	0.7
453.21075	7.1
469.09436	0.8
469.20526	1.7
535.28430	0.9
551.28259	4.4
763.42310	100.0
764.42804	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05510	1.3
57.03444	2.0
57.58342	0.4
61.02924	4.0
63.65902	0.4
67.05504	5.1
69.03435	3.1
69.07056	2.7
69.66850	1.7
71.05014	0.7
73.02920	2.4
79.05498	4.2
81.03426	1.5
81.07053	5.4
83.04978	0.7
83.08624	1.0
85.02906	4.8
90.76170	0.4
91.03971	1.8
91.05482	2.8
93.07045	4.0
95.04992	1.3
95.08618	1.8
97.02886	3.7
97.06554	1.1
98.23406	0.6
99.04475	0.8
99.08061	0.5
101.02405	1.0
105.07047	1.6
107.08591	3.6
109.02879	0.7
109.10181	0.6
117.07034	0.9
119.08629	0.6
121.10166	1.2
127.03939	1.4
131.08614	1.0
133.10155	1.6
135.11745	1.0
149.13272	1.3
157.10141	0.4
159.11757	0.7
184.07544	0.8
195.13928	0.7
235.13065	0.8
243.08366	2.6
266.17749	0.5
315.64413	0.5
327.86652	0.5
333.20300	1.2
418.62943	0.5
439.19653	0.7
453.20920	8.4
469.20804	0.7
551.28339	3.7
621.96667	0.5
665.35040	4.4
763.42316	100.0
764.42474	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05511	2.6
57.03432	3.4
61.02923	8.3
67.05503	7.9
68.48684	0.5
69.03425	5.8
69.07073	1.4
73.02918	5.5
79.05488	5.7
81.03419	2.6
81.07055	7.9
83.08620	0.7
85.02905	6.7
87.04474	0.7
91.03949	4.7
91.05458	3.9
93.07040	6.9
95.04971	1.4
95.08601	6.0
95.35073	0.5
97.02894	6.3
97.06542	1.0
98.22703	1.5
99.04469	2.2
101.02393	2.2
105.07052	2.0
107.08611	3.0
109.02901	0.9
109.10178	2.8
115.03969	0.9
117.07044	1.0
119.08577	1.7
121.10162	2.4
127.03925	2.2
131.08586	0.9
133.10181	1.1
135.11687	3.1
143.07072	0.5
145.10124	2.1
163.11221	2.4
173.09695	0.6
181.12187	0.7
184.07379	0.9
185.04192	0.8
191.10713	0.8
227.12811	1.2
243.08316	4.0
249.10950	8.1
259.08224	0.6
267.12009	1.2
289.19229	0.6
305.13528	1.2
335.25632	0.7
347.51218	0.7
467.18799	5.3
485.19794	2.8
519.29224	9.8
745.41229	36.6
746.42249	3.0
763.42285	100.0
764.42645	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05516	1.6
57.03430	1.9
61.02928	5.8
67.05505	4.9
69.03425	3.6
69.07071	1.4
69.24337	2.6
71.01350	0.6
71.04985	0.6
73.02913	4.4
79.05482	3.5
81.03416	2.6
81.07053	4.6
83.08666	0.6
85.02901	5.7
87.04423	0.4
91.03958	4.0
91.05502	2.7
93.07042	5.4
95.04971	1.2
95.08607	3.6
97.02885	6.0
99.04468	1.0
101.02381	2.1
105.07037	1.1
107.08582	2.5
109.02841	0.6
109.10172	2.2
114.38857	0.5
119.08593	1.3
121.10178	1.5
127.03956	1.6
135.11739	1.2
145.10121	0.9
147.11653	0.6
163.11218	1.2
173.13127	0.5
185.04192	0.8
189.86661	0.5
209.11621	0.8
243.08513	1.7
267.11966	2.4
335.25882	0.9
441.17175	2.6
485.19791	2.5
507.99652	0.5
519.29236	8.1
520.29419	0.5
662.90210	0.4
663.00537	0.5
719.39948	1.9
745.41321	1.4
763.42255	100.0
764.42584	9.1
764.52747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01831	0.5
55.05510	1.2
56.37101	0.4
57.03434	1.6
61.02923	4.7
61.92432	0.4
67.05511	5.6
69.03423	3.7
69.07066	1.6
70.06569	0.4
71.01355	0.5
71.05012	0.6
73.02903	3.8
79.05481	4.3
81.03412	2.5
81.07048	3.9
83.04971	0.5
83.08642	0.5
85.02897	5.4
86.09729	0.5
91.03942	3.3
91.05482	2.3
93.07045	3.9
95.04987	1.4
95.08597	3.0
97.02895	4.2
98.22672	0.9
99.04476	1.0
101.02391	1.3
105.07034	1.0
107.04941	0.6
107.08587	2.2
109.02874	1.2
109.10194	1.6
119.08600	1.3
121.06500	0.5
121.10149	2.0
127.03952	1.3
131.08549	0.8
133.10193	0.7
134.85913	0.4
135.11725	1.9
140.80348	0.4
145.10158	1.2
147.11688	0.5
163.11322	0.5
184.07310	2.1
185.04295	0.7
185.07846	0.5
203.05290	0.8
243.08514	1.7
267.12335	0.6
267.16010	0.8
268.16415	0.6
276.19656	0.5
335.25980	0.7
337.27585	0.5
376.68732	0.4
411.20117	1.2
413.18100	1.1
467.18854	1.4
485.19943	3.5
519.21838	0.3
519.29254	7.0
530.39490	0.6
548.40735	0.5
689.42670	1.0
691.40137	0.8
719.43561	0.8
739.85577	0.4
745.40961	2.3
763.41943	100.0
764.42340	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	763.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05511	1.5
57.03437	1.1
57.28505	0.5
61.02921	4.5
65.77833	0.5
67.05499	5.6
67.77220	0.5
69.03429	2.8
69.07072	1.1
69.49525	1.2
69.49935	1.6
71.04977	2.5
73.02922	3.5
79.05493	2.7
81.03442	1.5
81.07043	5.2
81.07438	0.5
81.36736	0.4
83.08586	0.6
85.02898	4.1
91.03960	2.0
91.05463	2.4
92.24306	0.5
93.07037	2.9
95.04942	0.6
95.08613	2.2
97.02891	4.0
97.06526	0.8
99.04477	0.6
101.02394	1.3
103.03938	0.5
105.07067	1.5
107.08572	1.0
109.02876	1.0
109.10188	0.7
117.07085	0.5
119.08595	0.5
121.10123	0.9
123.11716	1.1
127.03953	1.2
133.10143	1.4
135.11702	0.9
159.11725	0.8
182.07652	0.5
185.04332	0.6
189.62357	0.5
243.08539	2.1
267.15695	0.7
297.06808	0.5
303.55670	0.5
308.49805	0.5
485.23477	6.5
519.29187	3.7
529.83813	0.5
585.48114	0.5
763.45941	100.0
764.46484	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	764.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88586	0.2
61.02901	0.3
63.02073	0.4
63.02327	1.2
65.03938	1.1
67.05499	0.7
69.03419	0.8
69.07064	0.5
70.06596	0.5
71.43299	0.4
73.02910	0.4
78.04698	0.8
79.05504	0.4
81.03436	0.3
81.07043	0.3
81.75703	0.3
82.04196	0.6
83.59699	0.2
84.04482	0.3
85.02897	2.4
89.03908	13.0
90.04269	0.2
91.05451	0.9
93.07037	0.4
95.04948	0.7
97.02867	0.9
97.06560	0.4
102.45098	0.3
103.05453	0.6
106.04170	1.0
108.02115	0.4
109.02899	0.5
110.03651	0.8
111.04450	0.3
114.19089	0.2
117.03368	32.0
118.03693	0.5
119.04967	0.4
124.05218	0.3
124.96215	0.2
125.05960	0.6
127.03919	0.6
131.04921	0.5
134.03621	2.1
135.04401	1.8
137.05969	2.2
138.03120	0.7
145.02831	65.8
146.03145	1.5
149.05972	10.1
150.06398	0.3
153.05440	0.9
158.05916	0.3
162.09068	0.2
163.03867	1.0
163.05998	1.6
167.06987	0.7
171.06534	1.6
175.07544	0.6
177.05449	100.0
178.05795	2.4
181.04935	33.4
181.08290	0.3
182.05228	0.7
186.05487	1.1
193.08566	0.5
205.08501	0.3
209.08031	0.3
295.10324	0.4
324.04410	0.2
325.10968	0.6
327.07037	0.5
335.72922	0.2
337.10751	0.6
369.13202	1.0
373.07364	0.5
485.15103	0.3
488.03998	0.3
558.20496	0.3
632.83545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
55.05520	0.7
57.03423	3.4
57.07074	85.6
58.07418	1.4
61.02919	2.3
62.37492	0.5
67.01824	0.5
67.05500	1.3
68.71565	0.5
68.99799	1.6
69.03429	16.8
70.38081	0.8
70.38411	0.9
71.01348	0.8
71.04996	3.0
73.02921	6.9
79.05479	1.5
81.02957	1.1
81.03416	13.6
81.07056	5.1
83.01328	0.7
83.04979	4.1
85.02903	34.4
85.06540	100.0
86.03232	1.0
86.06857	0.8
87.00291	0.7
87.00825	14.5
87.01324	1.1
91.05486	2.0
93.07041	1.1
95.04962	2.1
97.02888	15.6
99.04466	6.1
101.02349	1.0
103.03936	2.9
105.01863	11.4
105.07038	1.9
109.02875	19.7
109.06506	2.7
111.04436	3.3
113.02359	0.8
115.03925	2.0
117.01838	0.9
119.04903	2.2
119.08553	1.1
123.04439	3.2
125.02352	1.5
125.11245	0.6
127.03909	29.0
128.04260	0.7
129.01823	1.5
129.05467	1.6
130.06522	5.6
131.06871	1.7
131.08539	3.8
133.04919	0.8
137.05956	0.5
139.03905	1.4
145.04959	7.0
147.02838	0.7
147.04424	1.2
147.06451	1.7
147.07944	0.5
149.09630	1.9
151.03867	2.8
159.02867	3.5
159.08032	0.8
161.04411	0.5
163.03824	2.0
165.05443	1.1
169.04967	4.3
171.02832	1.5
175.04019	0.7
175.06143	1.1
176.06993	1.5
187.06020	3.1
189.03897	5.8
189.05452	1.0
193.04938	3.2
206.08127	4.7
207.08388	2.8
211.05919	1.5
213.03926	6.1
215.14323	4.2
231.04976	9.1
233.15331	9.1
235.05957	1.1
245.10994	0.6
249.06038	2.6
251.16423	1.1
253.07016	1.0
255.05019	1.3
261.10034	0.8
262.10663	0.7
273.06046	16.5
274.06335	1.0
274.10864	0.7
290.10309	1.2
291.10715	1.0
297.06000	0.6
305.12680	1.7
306.12982	2.5
315.06934	1.9
323.10095	1.1
323.13861	17.7
324.10522	0.9
324.14188	17.0
325.14224	0.8
339.06982	2.7
357.07983	2.2
443.07657	1.6
461.08984	2.0
485.18866	2.1
486.19348	4.8
632.24109	1.2
746.37103	0.8
764.27124	0.9
764.38861	1.3
782.78094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.8
55.05512	1.9
57.03430	2.3
57.07070	42.2
57.58030	2.3
61.02905	1.9
67.05489	3.3
68.42430	1.8
68.99802	2.2
69.03419	14.7
71.01390	1.8
71.04987	3.3
73.02901	3.3
74.08458	1.9
76.30664	1.7
81.03413	18.8
81.07063	3.6
83.04977	6.6
85.02900	40.2
85.06541	25.7
87.00824	17.5
91.05476	7.8
93.07038	4.6
95.04974	4.9
97.02879	14.4
99.04450	6.6
103.03961	3.3
105.01855	13.9
105.07047	10.2
107.08577	3.3
109.02865	29.6
109.06516	7.4
111.04458	5.0
117.01836	2.1
119.08583	6.8
121.06464	2.9
121.10106	4.8
123.04415	4.1
125.02417	2.2
127.03908	43.6
129.01892	2.9
129.07022	2.5
131.08553	22.5
133.10144	2.3
135.08064	2.6
139.03879	2.8
143.10602	3.2
145.04971	8.7
145.10106	11.5
149.09610	14.8
151.03891	4.5
155.08621	2.2
157.10077	2.4
159.08023	37.3
159.09326	2.7
161.09631	4.7
163.07523	1.9
169.04936	6.5
171.02904	4.5
173.09622	12.1
177.09081	6.1
181.04921	5.7
187.06071	5.1
187.14783	4.4
189.03952	7.7
193.04977	4.1
205.15897	13.0
213.03870	6.6
215.14232	11.7
217.08702	2.4
231.05006	10.4
233.15343	100.0
234.15738	4.0
235.05833	2.9
249.06026	2.5
251.16360	14.5
273.05978	26.2
315.06909	2.9
316.13623	2.8
320.52777	2.3
339.07004	5.4
357.08224	3.4
389.87360	2.0
443.08109	3.1
461.08939	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03439	1.8
65.03942	2.0
67.05489	1.6
69.03429	6.4
70.06586	2.5
70.84857	0.9
79.05492	3.1
81.03416	5.9
81.07059	2.8
83.73526	1.0
84.67463	1.0
85.02894	6.7
86.09705	2.5
91.05458	5.4
94.04173	1.4
95.04958	4.2
95.18703	1.1
97.02885	4.2
99.04465	1.4
103.05466	28.9
105.03394	1.4
105.07019	2.9
107.04953	2.2
108.02060	1.4
109.02870	1.6
109.06477	1.6
109.08962	0.9
111.04428	1.2
113.05991	2.6
115.05443	2.2
117.03349	2.0
117.07010	3.2
118.04142	1.3
119.04921	4.7
119.08549	1.3
122.03661	6.1
123.04438	1.8
124.50523	1.1
125.05953	1.4
127.03921	4.3
129.06999	2.2
131.04913	51.4
133.06491	3.4
135.08029	1.6
137.05965	100.0
138.06279	1.7
141.05435	1.5
143.04921	1.4
145.02829	4.2
145.04948	1.4
145.06490	4.8
145.92619	1.3
147.04388	9.7
148.05153	4.2
149.05959	4.0
151.03900	50.0
151.04973	3.4
151.07510	7.3
152.43736	1.1
153.05418	2.2
157.06438	1.3
159.08078	1.3
160.05267	2.3
161.05980	4.0
162.06735	1.0
163.03897	4.1
163.07521	66.4
164.07904	1.7
165.05525	2.5
167.07019	9.4
173.05975	3.2
175.07545	10.9
177.05457	10.6
177.09120	1.5
179.07005	8.6
181.04950	15.4
187.07562	2.6
189.05449	1.2
189.09100	2.6
191.07018	57.5
193.08615	2.0
198.57181	1.1
203.06946	4.1
205.06657	1.6
205.08568	11.8
209.08032	1.4
217.08580	2.9
219.10130	2.3
222.10057	1.1
233.08092	3.0
235.09624	4.8
236.47241	1.1
245.08000	1.4
247.07739	1.2
255.20964	1.4
263.09180	10.3
263.11758	1.8
265.10803	5.5
267.10703	1.3
277.08380	1.1
279.11188	1.2
299.12613	1.6
301.21530	2.0
306.08560	1.1
309.11304	1.1
327.12512	2.5
355.11777	5.5
357.13495	1.3
359.14697	1.4
369.13330	2.6
371.14923	2.3
385.16232	1.8
387.14304	18.6
485.15433	2.0
497.69254	1.1
517.18799	8.2
549.20966	4.0
553.14978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70472	0.2
55.02993	2.6
55.05503	1.5
56.70685	0.3
57.71565	0.3
59.82327	0.2
60.05636	0.8
60.70525	0.2
65.03922	0.6
68.15987	0.2
69.03417	0.4
69.07064	0.4
69.98260	1.0
72.05630	1.1
72.08151	25.2
73.06540	1.1
74.01712	0.3
81.03387	0.3
83.08607	1.6
85.02895	1.9
87.00821	0.5
90.09161	0.9
95.04943	0.4
97.02866	0.9
97.07648	14.6
105.01871	0.8
108.02126	0.3
109.02853	0.3
110.03626	0.4
111.04410	0.4
114.10282	24.5
115.02039	0.3
115.08663	0.8
115.10635	0.4
117.03374	0.5
125.06039	0.3
127.03909	1.0
132.11319	7.4
140.04701	0.4
142.02631	0.5
144.50923	0.3
145.02821	0.8
145.04996	0.5
153.05460	1.5
155.06981	0.4
157.15862	0.8
171.06505	1.9
175.16939	1.2
177.05421	1.9
180.06525	0.4
181.04938	69.2
182.05273	1.1
231.05090	0.6
253.10666	0.4
295.12872	0.7
303.12149	0.3
312.15494	100.0
313.15884	2.9
339.93723	0.3
351.16882	0.3
354.35141	0.4
363.05634	0.3
453.34329	0.5
482.66049	0.3
714.97333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29646	1.2
59.63997	1.4
60.88620	1.4
67.05496	4.3
69.03420	1.8
69.07048	1.6
69.70926	2.6
69.71321	2.6
70.06570	2.9
79.05461	1.7
79.98360	1.2
81.07047	1.4
89.03899	2.0
91.05465	9.5
93.07035	9.2
94.06565	6.3
95.04960	6.9
95.08608	1.9
97.06515	1.4
98.22694	1.2
105.04468	1.8
108.08103	5.7
111.08089	5.1
117.03361	2.6
117.06958	1.4
119.07313	1.4
119.08608	2.0
120.08148	2.6
122.06025	6.7
124.07659	1.7
134.09631	5.5
135.08058	2.9
136.07564	10.4
137.05963	2.6
140.07100	2.6
145.02795	7.2
146.05980	1.9
147.04398	1.6
147.06763	1.7
148.07596	2.9
149.05972	1.8
150.09148	2.2
152.10701	6.4
160.07643	1.3
162.09134	46.6
163.03886	3.5
163.07549	2.8
166.08685	2.5
167.07030	4.3
170.09636	1.9
171.09224	1.5
172.03922	2.6
173.10780	1.7
173.13359	1.5
174.05530	2.1
174.09161	1.4
176.76289	1.5
177.05394	8.8
178.05775	3.8
178.08524	1.9
180.10179	35.7
181.04967	5.9
181.10405	1.5
182.05374	2.3
188.07118	1.6
188.09395	1.9
189.10292	2.3
190.08632	5.0
197.10811	1.5
198.09135	2.1
199.08720	3.2
200.10849	2.2
201.10208	14.3
202.34059	1.4
204.06520	3.8
208.09679	57.5
213.06616	4.4
213.10243	3.8
214.08856	1.8
215.08253	8.1
215.11813	7.1
215.69583	1.2
216.08942	4.1
223.08685	1.5
225.10220	5.9
227.08139	12.7
227.11749	5.2
228.08887	1.5
229.09721	11.4
237.10202	5.1
239.08057	2.5
239.11877	3.1
241.09709	6.1
241.13295	1.7
242.10338	1.8
243.11226	12.4
244.11647	3.4
245.12929	1.9
247.10789	2.5
248.09329	2.0
249.10199	3.3
250.11006	2.1
251.08165	2.7
251.11829	7.6
252.08780	1.6
253.09688	6.9
255.11201	5.0
259.10709	6.3
261.12411	8.7
263.11655	10.0
264.12430	2.1
265.09610	6.6
265.13425	4.8
267.11279	7.2
269.09204	3.2
271.10666	5.6
277.09732	3.4
279.11243	7.4
281.09262	2.3
281.12680	3.1
282.09705	1.7
283.10797	4.7
285.12280	9.5
286.12665	3.9
287.10245	2.6
287.13248	3.4
289.11765	18.7
291.11276	4.3
292.11966	1.8
293.09161	4.3
295.10727	9.2
297.12277	5.8
303.13095	1.6
307.12973	2.2
309.12234	9.3
311.10440	1.7
311.13660	6.2
313.11932	4.1
315.13434	1.9
323.13849	2.9
335.10159	3.7
337.11993	2.3
339.13449	1.8
345.14517	1.8
355.13013	2.0
358.15591	2.4
359.12271	2.8
361.13928	2.0
366.57739	1.6
369.14502	4.1
371.16113	2.6
375.11752	10.6
377.13333	3.2
400.16138	1.7
403.11154	8.3
405.12732	14.1
419.14218	2.5
425.13535	3.1
427.15234	1.7
429.13101	2.1
432.19458	1.6
435.13937	17.8
436.14172	1.6
437.15558	11.3
441.13184	1.6
453.12939	3.4
455.14255	3.1
461.15250	1.9
463.17093	1.9
469.12158	6.1
471.13907	5.3
476.18204	1.9
485.15598	8.6
486.16116	2.5
487.17334	3.9
489.15073	5.7
503.16476	14.0
526.18353	13.5
558.20770	100.0
559.20740	5.7
576.19586	2.2
584.22668	1.9
594.21027	7.3
608.22162	4.9
610.20264	9.6
612.21692	5.2
624.21222	2.7
625.21509	2.1
626.23425	7.7
642.22675	3.9
712.83228	1.4
715.25574	6.0
733.26343	4.5
747.28278	6.2
765.29987	23.5
766.30341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29646	1.2
59.63997	1.4
60.88620	1.4
67.05496	4.3
69.03420	1.8
69.07048	1.6
69.70926	2.6
69.71321	2.6
70.06570	2.9
79.05461	1.7
79.98360	1.2
81.07047	1.4
89.03899	2.0
91.05465	9.5
93.07035	9.2
94.06565	6.3
95.04960	6.9
95.08608	1.9
97.06515	1.4
98.22694	1.2
105.04468	1.8
108.08103	5.7
111.08089	5.1
117.03361	2.6
117.06958	1.4
119.07313	1.4
119.08608	2.0
120.08148	2.6
122.06025	6.7
124.07659	1.7
134.09631	5.5
135.08058	2.9
136.07564	10.4
137.05963	2.6
140.07100	2.6
145.02795	7.2
146.05980	1.9
147.04398	1.6
147.06763	1.7
148.07596	2.9
149.05972	1.8
150.09148	2.2
152.10701	6.4
160.07643	1.3
162.09134	46.6
163.03886	3.5
163.07549	2.8
166.08685	2.5
167.07030	4.3
170.09636	1.9
171.09224	1.5
172.03922	2.6
173.10780	1.7
173.13359	1.5
174.05530	2.1
174.09161	1.4
176.76289	1.5
177.05394	8.8
178.05775	3.8
178.08524	1.9
180.10179	35.7
181.04967	5.9
181.10405	1.5
182.05374	2.3
188.07118	1.6
188.09395	1.9
189.10292	2.3
190.08632	5.0
197.10811	1.5
198.09135	2.1
199.08720	3.2
200.10849	2.2
201.10208	14.3
202.34059	1.4
204.06520	3.8
208.09679	57.5
213.06616	4.4
213.10243	3.8
214.08856	1.8
215.08253	8.1
215.11813	7.1
215.69583	1.2
216.08942	4.1
223.08685	1.5
225.10220	5.9
227.08139	12.7
227.11749	5.2
228.08887	1.5
229.09721	11.4
237.10202	5.1
239.08057	2.5
239.11877	3.1
241.09709	6.1
241.13295	1.7
242.10338	1.8
243.11226	12.4
244.11647	3.4
245.12929	1.9
247.10789	2.5
248.09329	2.0
249.10199	3.3
250.11006	2.1
251.08165	2.7
251.11829	7.6
252.08780	1.6
253.09688	6.9
255.11201	5.0
259.10709	6.3
261.12411	8.7
263.11655	10.0
264.12430	2.1
265.09610	6.6
265.13425	4.8
267.11279	7.2
269.09204	3.2
271.10666	5.6
277.09732	3.4
279.11243	7.4
281.09262	2.3
281.12680	3.1
282.09705	1.7
283.10797	4.7
285.12280	9.5
286.12665	3.9
287.10245	2.6
287.13248	3.4
289.11765	18.7
291.11276	4.3
292.11966	1.8
293.09161	4.3
295.10727	9.2
297.12277	5.8
303.13095	1.6
307.12973	2.2
309.12234	9.3
311.10440	1.7
311.13660	6.2
313.11932	4.1
315.13434	1.9
323.13849	2.9
335.10159	3.7
337.11993	2.3
339.13449	1.8
345.14517	1.8
355.13013	2.0
358.15591	2.4
359.12271	2.8
361.13928	2.0
366.57739	1.6
369.14502	4.1
371.16113	2.6
375.11752	10.6
377.13333	3.2
400.16138	1.7
403.11154	8.3
405.12732	14.1
419.14218	2.5
425.13535	3.1
427.15234	1.7
429.13101	2.1
432.19458	1.6
435.13937	17.8
436.14172	1.6
437.15558	11.3
441.13184	1.6
453.12939	3.4
455.14255	3.1
461.15250	1.9
463.17093	1.9
469.12158	6.1
471.13907	5.3
476.18204	1.9
485.15598	8.6
486.16116	2.5
487.17334	3.9
489.15073	5.7
503.16476	14.0
526.18353	13.5
558.20770	100.0
559.20740	5.7
576.19586	2.2
584.22668	1.9
594.21027	7.3
608.22162	4.9
610.20264	9.6
612.21692	5.2
624.21222	2.7
625.21509	2.1
626.23425	7.7
642.22675	3.9
712.83228	1.4
715.25574	6.0
733.26343	4.5
747.28278	6.2
765.29987	23.5
766.30341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
58.90260	1.9
65.03925	2.0
67.05504	9.9
69.07062	2.7
70.06614	2.8
70.37578	5.1
77.12811	1.8
79.05464	2.4
81.07057	5.9
85.02934	2.6
87.90910	2.0
91.05478	5.3
93.07047	7.3
94.06576	6.2
95.04971	4.8
95.08588	5.5
97.02888	2.7
105.07028	2.4
106.06552	2.2
108.08102	5.8
111.08064	2.3
119.08611	2.7
120.08054	2.8
121.10135	3.4
122.06003	19.5
124.07573	2.4
125.36934	2.2
136.07558	19.4
138.05496	3.9
138.09181	4.1
140.07068	4.8
145.02875	2.7
146.06003	8.9
148.07556	3.1
162.05513	7.7
162.09157	10.7
163.03882	2.4
164.07077	8.5
174.09169	3.7
175.14874	2.2
176.07155	2.1
177.05482	2.6
180.10191	8.0
190.08624	4.8
192.10179	8.8
197.07034	2.0
199.08650	6.5
201.10234	3.7
208.09697	12.0
211.08682	6.2
212.09320	3.0
213.06548	4.0
213.10352	2.5
215.08113	3.2
215.11758	3.0
216.10265	2.5
217.35999	2.0
221.10751	4.5
222.11583	2.6
223.08644	2.8
223.12270	2.5
225.06554	6.7
225.10164	11.0
226.07256	4.1
226.11157	2.3
227.08154	28.9
227.11800	6.6
229.09480	2.6
230.11719	4.6
235.08598	2.7
235.12329	4.5
237.10155	6.7
237.13928	3.9
238.10970	4.6
239.08011	10.1
239.11681	10.0
240.08870	2.9
241.09731	12.0
241.13339	2.5
243.11246	4.2
244.90211	1.8
248.09442	7.9
249.10170	15.7
250.11006	4.7
251.08109	4.3
251.11784	16.1
252.12558	2.7
253.09724	9.5
255.11284	9.1
258.11279	3.6
259.10818	5.0
261.10117	3.8
261.12521	2.8
262.11118	4.1
263.11755	32.5
263.14285	3.4
264.12427	5.7
265.09863	10.8
265.13281	15.8
266.14053	2.7
267.07703	7.2
267.11279	18.1
268.08228	4.6
269.09229	9.6
269.12674	3.0
271.10831	2.2
277.09650	30.9
278.10379	6.1
279.11206	15.7
281.09235	5.3
282.09924	2.4
283.10687	4.8
285.08719	6.5
285.12161	4.1
291.11255	24.7
292.12018	3.3
293.09512	3.1
293.12823	8.2
294.10913	2.1
295.10809	40.6
296.11511	6.0
297.12308	8.0
303.23141	3.6
307.10660	2.8
309.12302	34.2
310.13126	2.1
311.10297	5.9
311.13928	9.7
313.11679	14.5
314.12366	2.8
315.13364	4.0
319.10635	20.1
321.12204	2.7
323.10236	9.4
323.13934	4.1
337.11832	21.7
338.12674	5.8
339.13486	3.1
341.11285	11.1
343.13657	2.7
344.13995	4.0
355.12979	6.5
356.13858	3.2
364.12756	2.2
369.14633	3.4
370.15411	2.5
371.16458	4.1
372.17368	2.8
373.13855	3.4
375.11679	2.0
401.09488	3.2
403.11206	4.9
405.12805	4.5
406.13855	6.1
407.12427	2.6
408.15497	4.4
413.14154	3.5
415.16019	3.1
416.15894	3.5
418.17508	3.0
422.16721	3.4
425.13379	30.7
426.14172	2.8
427.15121	4.3
428.15485	3.1
429.12793	12.2
432.18753	3.7
434.16852	2.6
435.11957	12.4
436.18768	4.5
437.15350	3.9
439.11484	2.9
452.11877	5.4
453.12885	100.0
454.13776	16.9
457.12494	16.0
458.17065	7.8
459.15811	3.3
460.18317	5.3
471.14020	3.5
473.16470	2.2
476.18250	5.1
478.19836	4.5
485.15317	8.5
487.16806	2.8
489.14999	8.2
526.17957	3.0
540.15808	5.4
558.20886	26.0
564.19751	6.1
566.21252	2.7
570.20508	5.0
574.18024	12.7
575.18219	12.1
576.19446	11.4
581.22943	3.6
592.19202	51.1
593.19757	13.1
594.20752	59.1
595.20764	3.6
596.18829	5.8
599.25012	8.5
606.20624	20.3
607.20142	3.1
608.22491	9.6
610.20587	3.4
612.21686	4.4
624.22064	17.6
625.22375	7.2
626.23010	9.1
642.21179	2.5
687.26550	2.5
697.25079	14.0
698.23846	2.6
715.26080	32.1
716.24860	3.2
733.26868	19.9
747.28809	12.3
765.28748	10.5
790.28113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
55.05508	1.3
61.69295	0.7
65.03936	1.1
66.14919	0.7
67.05521	3.7
69.03420	1.7
69.07090	0.7
69.40013	2.3
69.40408	1.4
77.03918	1.5
79.05490	1.9
81.03411	1.2
81.07047	3.4
85.02900	3.0
87.00833	1.7
91.05482	9.9
93.07041	10.4
94.06566	4.8
95.04964	5.2
95.08614	2.3
97.02875	2.0
98.67611	0.6
102.61521	0.6
105.01858	2.0
105.04510	1.7
105.07024	2.4
107.08582	2.5
108.08134	3.9
109.02879	1.2
109.06508	1.7
109.10205	1.0
111.08091	6.7
117.03386	1.8
117.07027	2.0
119.08593	3.2
120.08088	1.5
121.06527	2.0
121.10114	2.2
122.06013	6.2
123.93800	0.7
124.07611	1.0
127.03944	2.2
127.70950	0.8
128.68571	0.8
132.08110	1.3
133.10155	1.0
134.06004	1.1
134.09651	7.3
135.08049	3.5
135.11661	0.8
136.07576	8.6
137.05984	2.9
138.09149	0.7
140.03419	1.0
144.08096	1.3
145.02841	4.7
145.06526	1.0
146.03145	1.3
146.06021	0.9
146.09731	1.4
147.06665	0.7
147.11658	3.5
148.07600	2.2
149.13274	1.4
149.87404	0.8
150.09172	2.0
151.03897	1.9
152.10709	3.7
153.05508	0.9
154.08598	0.9
159.11659	1.4
160.07616	1.7
161.08380	1.2
161.13293	1.9
162.09137	42.8
163.03958	1.9
163.07527	2.7
166.08626	1.8
172.06210	0.8
172.07591	0.9
172.11256	1.0
173.10794	2.2
173.13310	1.6
174.09152	1.5
175.14847	2.9
177.05487	7.4
178.05849	2.2
178.08670	1.5
180.10182	30.4
181.04973	7.3
181.10597	1.0
187.08705	2.6
187.14828	1.1
188.07062	0.9
188.09389	1.7
189.10274	1.2
190.08658	4.8
191.07120	2.7
193.12181	1.2
198.09163	1.1
199.08687	2.5
199.12405	0.8
200.09216	1.0
200.10851	1.4
201.06578	1.5
201.10217	14.0
202.08650	0.8
202.10788	1.1
207.13820	0.8
208.09683	54.6
209.10071	1.7
211.08755	1.0
213.06665	2.5
213.10178	4.4
214.10999	1.0
215.08197	9.0
215.11751	5.5
216.08876	5.6
217.09732	1.0
221.15341	1.1
225.10255	2.4
227.08174	9.8
227.11786	2.5
229.09720	15.7
230.10342	0.9
231.05026	1.1
231.11348	1.4
237.10265	1.9
239.08185	1.3
239.11780	1.6
241.09660	6.1
242.10490	1.1
243.11270	8.9
244.12021	1.0
245.09084	1.1
245.12842	1.9
247.10890	2.4
251.11743	1.9
253.09798	2.9
255.11287	2.4
257.22690	4.6
259.10699	8.2
261.12363	9.2
263.11761	1.1
263.14111	1.5
265.09863	2.0
265.13303	1.5
267.11282	2.8
269.09229	3.9
269.12762	1.5
271.10797	5.9
279.11325	1.4
282.09766	2.0
283.10797	1.1
283.14206	0.9
285.12378	2.6
286.12921	0.8
287.10297	5.4
287.13425	1.2
288.11118	2.1
289.11804	19.4
293.09225	1.1
295.10858	2.0
297.12219	1.6
303.23282	4.4
306.12064	1.2
307.12842	2.3
309.12256	0.8
311.10397	1.2
311.13782	2.2
313.11908	2.9
321.14606	1.6
323.13739	0.7
339.13336	1.0
341.11270	0.8
357.14496	0.9
359.12598	1.8
361.13843	1.0
364.16843	1.0
374.90332	0.8
375.11829	10.6
376.12183	1.0
377.13425	3.5
385.10388	0.9
386.11124	1.1
387.11865	1.6
401.13412	1.0
403.11176	8.6
404.16321	1.0
405.12891	14.7
427.15268	1.2
429.12808	1.4
432.19193	1.0
435.13998	16.3
436.14389	2.0
437.15485	14.6
449.17014	0.8
453.13406	0.8
489.15192	2.6
503.16748	0.9
526.18201	10.9
527.18665	0.8
558.20782	100.0
559.20990	7.6
584.22150	0.9
592.19000	1.2
594.20782	2.0
608.21857	4.0
610.20758	1.6
612.21722	1.1
624.21814	1.5
625.21143	1.5
626.22614	2.3
642.22321	1.7
715.25891	3.0
733.27509	4.2
747.28436	2.7
765.29565	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	765.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.9
59.37514	1.0
61.43052	1.0
67.05492	3.3
68.27504	1.0
68.27882	1.3
70.64909	2.4
71.78905	0.9
75.04388	0.8
77.03919	2.3
81.07031	1.6
84.78269	1.0
91.05483	11.1
93.07035	7.5
94.06564	3.1
95.04960	5.5
95.08601	1.5
105.04481	1.9
106.06544	1.5
107.08567	1.2
108.08113	3.3
108.80009	1.0
111.08085	5.9
117.03370	1.2
117.06992	2.0
119.07292	1.4
120.08125	1.5
121.06480	2.6
122.05999	5.8
132.08139	1.5
134.09642	7.8
135.08032	4.3
135.22063	1.1
136.07556	9.3
137.05997	2.5
138.00476	1.0
138.09113	2.0
140.07080	1.2
144.08005	1.4
145.02831	1.1
146.09612	1.3
147.06815	1.9
148.07545	1.7
150.09091	2.1
152.10710	4.9
154.05042	1.5
160.07611	2.5
161.08322	1.3
162.09137	45.1
163.07491	2.8
166.08665	2.6
172.07556	1.3
173.10793	2.1
174.09151	1.8
175.08623	1.2
178.08630	1.4
180.10179	36.9
185.10722	1.4
187.08670	2.8
188.09464	1.1
190.08629	5.7
199.08679	3.0
201.06512	2.5
201.10208	12.4
208.09679	58.9
211.08675	1.2
213.06566	2.0
213.10196	4.2
214.11024	1.8
215.08215	7.5
215.11783	4.3
216.09001	5.0
225.10271	2.3
226.10857	1.5
227.08073	9.9
227.11765	2.8
229.09709	11.1
231.11267	1.3
237.10149	2.6
238.11200	1.0
239.08029	1.7
239.11774	2.4
241.09673	4.7
242.10294	1.3
243.11360	10.9
244.12006	1.2
247.10808	3.0
253.09698	3.9
255.11285	2.8
259.10699	7.5
261.12317	10.9
265.09647	1.5
267.11230	3.9
269.09204	5.1
269.12711	1.8
271.10718	4.2
277.09750	1.0
279.11426	1.4
281.09314	1.6
282.09747	2.2
283.10736	3.2
285.12265	2.3
287.10205	4.7
287.13531	1.6
288.10889	2.0
289.11786	18.2
293.09351	1.6
295.10745	3.9
297.12219	1.8
299.10114	1.2
303.23059	1.2
307.12875	1.1
311.10315	1.8
311.13699	1.5
313.11700	3.3
315.13254	1.2
321.14413	2.9
343.12866	1.1
357.14890	1.5
359.12515	2.7
361.14398	1.3
372.08963	1.1
375.11826	7.1
377.13440	3.1
390.18005	1.2
401.13779	1.2
403.11346	7.2
405.12753	11.3
409.61789	1.2
429.12924	1.9
432.18982	1.5
435.13947	14.0
437.15479	12.1
461.15268	1.4
463.16913	1.7
485.15854	1.2
487.13794	1.3
489.15012	2.8
526.18085	9.7
527.18280	1.5
558.20782	100.0
559.21033	7.8
584.22223	1.1
592.17749	1.5
594.20380	2.1
608.22095	1.9
612.21289	2.2
624.21710	1.9
625.20642	1.9
626.23566	1.5
642.23114	1.5
715.25470	3.7
733.27209	5.5
747.28503	5.2
765.29523	18.2
766.30420	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	765.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29646	1.2
59.63997	1.4
60.88620	1.4
67.05496	4.3
69.03420	1.8
69.07048	1.6
69.70926	2.6
69.71321	2.6
70.06570	2.9
79.05461	1.7
79.98360	1.2
81.07047	1.4
89.03899	2.0
91.05465	9.5
93.07035	9.2
94.06565	6.3
95.04960	6.9
95.08608	1.9
97.06515	1.4
98.22694	1.2
105.04468	1.8
108.08103	5.7
111.08089	5.1
117.03361	2.6
117.06958	1.4
119.07313	1.4
119.08608	2.0
120.08148	2.6
122.06025	6.7
124.07659	1.7
134.09631	5.5
135.08058	2.9
136.07564	10.4
137.05963	2.6
140.07100	2.6
145.02795	7.2
146.05980	1.9
147.04398	1.6
147.06763	1.7
148.07596	2.9
149.05972	1.8
150.09148	2.2
152.10701	6.4
160.07643	1.3
162.09134	46.6
163.03886	3.5
163.07549	2.8
166.08685	2.5
167.07030	4.3
170.09636	1.9
171.09224	1.5
172.03922	2.6
173.10780	1.7
173.13359	1.5
174.05530	2.1
174.09161	1.4
176.76289	1.5
177.05394	8.8
178.05775	3.8
178.08524	1.9
180.10179	35.7
181.04967	5.9
181.10405	1.5
182.05374	2.3
188.07118	1.6
188.09395	1.9
189.10292	2.3
190.08632	5.0
197.10811	1.5
198.09135	2.1
199.08720	3.2
200.10849	2.2
201.10208	14.3
202.34059	1.4
204.06520	3.8
208.09679	57.5
213.06616	4.4
213.10243	3.8
214.08856	1.8
215.08253	8.1
215.11813	7.1
215.69583	1.2
216.08942	4.1
223.08685	1.5
225.10220	5.9
227.08139	12.7
227.11749	5.2
228.08887	1.5
229.09721	11.4
237.10202	5.1
239.08057	2.5
239.11877	3.1
241.09709	6.1
241.13295	1.7
242.10338	1.8
243.11226	12.4
244.11647	3.4
245.12929	1.9
247.10789	2.5
248.09329	2.0
249.10199	3.3
250.11006	2.1
251.08165	2.7
251.11829	7.6
252.08780	1.6
253.09688	6.9
255.11201	5.0
259.10709	6.3
261.12411	8.7
263.11655	10.0
264.12430	2.1
265.09610	6.6
265.13425	4.8
267.11279	7.2
269.09204	3.2
271.10666	5.6
277.09732	3.4
279.11243	7.4
281.09262	2.3
281.12680	3.1
282.09705	1.7
283.10797	4.7
285.12280	9.5
286.12665	3.9
287.10245	2.6
287.13248	3.4
289.11765	18.7
291.11276	4.3
292.11966	1.8
293.09161	4.3
295.10727	9.2
297.12277	5.8
303.13095	1.6
307.12973	2.2
309.12234	9.3
311.10440	1.7
311.13660	6.2
313.11932	4.1
315.13434	1.9
323.13849	2.9
335.10159	3.7
337.11993	2.3
339.13449	1.8
345.14517	1.8
355.13013	2.0
358.15591	2.4
359.12271	2.8
361.13928	2.0
366.57739	1.6
369.14502	4.1
371.16113	2.6
375.11752	10.6
377.13333	3.2
400.16138	1.7
403.11154	8.3
405.12732	14.1
419.14218	2.5
425.13535	3.1
427.15234	1.7
429.13101	2.1
432.19458	1.6
435.13937	17.8
436.14172	1.6
437.15558	11.3
441.13184	1.6
453.12939	3.4
455.14255	3.1
461.15250	1.9
463.17093	1.9
469.12158	6.1
471.13907	5.3
476.18204	1.9
485.15598	8.6
486.16116	2.5
487.17334	3.9
489.15073	5.7
503.16476	14.0
526.18353	13.5
558.20770	100.0
559.20740	5.7
576.19586	2.2
584.22668	1.9
594.21027	7.3
608.22162	4.9
610.20264	9.6
612.21692	5.2
624.21222	2.7
625.21509	2.1
626.23425	7.7
642.22675	3.9
712.83228	1.4
715.25574	6.0
733.26343	4.5
747.28278	6.2
765.29987	23.5
766.30341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.03436	2.4
58.23478	0.4
61.02920	5.6
67.05505	4.5
69.03429	3.4
69.07064	1.4
71.01365	0.8
71.04987	0.6
73.02914	4.0
75.45388	0.4
79.05483	4.0
81.03410	2.8
81.07053	4.7
83.04968	0.9
83.08615	0.4
88.72340	0.4
91.03967	3.4
91.05482	2.5
93.07039	4.2
95.04968	1.0
95.08611	2.5
96.00029	0.5
97.02887	4.9
98.23459	1.4
99.04441	0.7
101.02370	1.6
103.03980	0.5
105.07040	1.4
107.08570	2.2
109.02892	1.0
109.10170	1.3
115.03913	0.5
119.08633	1.3
121.10142	2.2
127.03936	1.5
131.08598	1.0
133.10179	0.8
135.11703	1.0
139.11217	0.5
147.11722	0.8
149.09610	0.6
157.10110	0.5
161.13409	0.4
185.04204	0.8
185.11722	0.5
193.12245	0.5
199.70497	0.4
225.10983	0.4
243.06393	0.5
243.08260	2.2
251.12871	0.5
269.13657	1.7
304.63458	0.4
335.25775	0.7
399.85138	0.4
433.35602	0.4
443.18759	3.4
469.20688	1.4
487.21539	3.9
519.29364	8.0
591.31030	0.5
704.27716	0.5
715.12750	0.4
721.41260	1.8
747.43024	1.5
765.43854	100.0
766.44238	10.0
790.14722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.5
55.05508	7.4
57.03427	2.5
57.07067	3.4
61.02919	6.1
67.05493	8.4
68.99779	2.8
69.03423	20.8
69.07058	10.6
69.62436	2.9
69.62846	6.3
71.04980	3.7
73.02907	4.4
79.05499	6.2
81.03416	20.6
81.07047	26.9
83.04972	1.8
83.08592	3.8
84.74054	1.6
85.02906	58.8
85.03415	3.0
87.00320	1.6
87.00825	30.6
91.03932	1.8
91.05490	5.3
93.07053	13.7
94.57131	1.7
95.04948	3.4
95.08605	28.7
97.02890	33.4
97.10164	5.8
99.04485	8.8
103.03918	1.9
105.01864	41.4
105.07037	17.9
107.08595	14.3
109.02873	35.4
109.10152	28.3
111.11713	5.1
115.03881	2.3
117.05436	1.7
119.08582	25.4
121.10124	15.5
123.11709	11.4
127.03912	50.0
131.08546	5.7
132.01915	2.0
133.10133	23.5
135.11688	10.8
137.13181	2.4
139.11264	2.2
145.04973	21.6
145.10129	13.7
147.11674	38.8
148.12067	2.5
149.13257	16.9
157.10101	4.9
159.01678	3.0
159.02888	10.8
159.11731	21.6
161.13257	35.5
163.03862	2.2
163.14801	9.2
165.12775	2.5
171.11713	2.6
173.13242	24.0
173.99390	1.8
175.14845	26.7
177.16380	3.2
179.10674	2.7
185.13287	4.3
187.14828	14.7
189.03938	3.6
193.12213	29.4
201.16379	15.9
205.12231	6.7
207.13800	17.8
213.03955	6.5
215.17952	4.0
219.13756	8.3
221.15388	15.1
229.19453	2.2
231.04956	21.6
231.07155	2.9
233.15285	6.2
241.19493	3.0
247.17007	2.5
249.06038	5.8
255.20995	5.1
257.22623	92.4
258.23013	6.9
267.21066	4.5
275.23651	5.7
285.22122	4.1
301.21667	5.9
303.23163	100.0
304.23499	7.2
315.23062	2.6
365.24655	3.2
393.09915	3.0
393.24255	4.0
411.25269	2.7
469.26306	2.4
487.26852	5.5
505.27856	25.1
506.27679	2.2
515.27344	1.9
521.26862	2.3
533.27228	8.5
551.27991	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	766.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05302	0.8
55.05513	9.5
57.03425	2.5
57.07058	2.0
61.02923	2.1
65.03933	1.2
66.91695	0.8
67.05502	9.8
68.99789	1.1
69.03427	11.7
69.07061	18.3
69.26190	5.0
71.04983	2.4
73.02898	2.1
79.05484	8.4
81.03409	7.4
81.07050	37.1
82.73142	1.0
83.04972	2.5
83.08611	3.9
85.02895	32.5
85.03413	1.6
87.00817	12.5
91.05464	6.2
93.07032	13.7
95.04980	1.7
95.08594	30.3
97.02884	12.2
97.10148	6.1
99.04450	3.5
103.03992	1.0
105.01854	30.9
105.07018	21.1
107.04897	1.0
107.08587	19.2
107.09264	1.6
109.02165	1.5
109.02865	11.7
109.06464	1.0
109.10147	32.9
111.11713	8.0
117.07002	1.8
119.08567	31.7
119.09433	1.8
120.08838	1.0
121.10130	17.9
123.11695	11.5
127.03904	22.1
131.08559	7.0
133.10112	23.8
135.11687	12.6
137.13217	2.3
139.07507	1.0
143.08560	1.9
145.04955	6.5
145.10112	15.7
147.11667	48.3
148.11937	1.6
149.13252	16.8
151.11153	1.3
157.10075	2.1
159.02875	3.8
159.11681	22.8
161.13248	42.9
162.13638	1.2
163.03902	1.2
163.14835	6.5
165.12743	3.1
167.10698	1.3
171.11697	1.4
173.13251	22.5
175.14804	33.7
176.15283	0.9
177.12755	1.0
177.16391	3.0
179.10620	2.6
181.12170	1.1
183.11633	1.1
185.13165	1.5
187.14801	17.4
188.15167	1.1
189.12807	1.1
189.16388	3.4
193.12221	41.8
194.12642	1.1
200.51508	0.9
201.16362	17.5
201.18120	1.3
203.14436	1.3
205.12239	5.2
205.16014	1.1
207.13789	22.9
213.03949	2.2
215.17934	4.7
219.13786	7.9
221.15344	23.0
229.19527	1.6
231.05013	12.1
233.15375	5.3
235.16902	1.9
243.21004	1.3
247.16975	3.2
249.06044	10.3
255.21164	1.3
257.22617	96.1
258.23026	5.0
267.20963	1.9
275.23621	6.1
285.22076	5.7
303.23151	100.0
304.23508	4.0
321.24197	1.9
411.25262	1.7
469.26498	1.3
487.26611	2.4
505.27844	5.6
533.27197	2.5
551.28186	0.9
767.24304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05507	9.5
57.03428	2.1
57.07070	1.4
61.02917	3.1
65.03934	2.7
67.05504	9.3
69.03427	12.8
69.07063	18.2
72.23770	1.1
79.05489	14.5
80.05807	1.2
81.03417	7.5
81.07051	61.7
81.57516	1.1
83.04987	1.2
83.08606	2.6
85.02900	32.6
87.00824	14.4
91.05463	7.6
93.07040	15.2
95.04972	2.4
95.08598	37.1
96.08943	1.0
97.02883	15.1
97.06525	1.4
97.10179	5.5
99.04459	4.0
105.01859	37.1
105.07018	21.8
107.08581	20.1
109.02870	8.8
109.06497	2.2
109.10155	27.8
111.11730	4.7
117.06979	1.8
119.08568	32.7
121.10127	20.7
123.08049	1.8
123.11701	11.0
127.03904	24.8
129.07074	1.4
131.04813	1.0
131.08559	6.9
133.10114	23.0
135.11688	11.1
136.12079	1.1
137.13234	2.7
139.11147	1.8
143.08585	1.7
145.04941	11.1
145.10120	14.5
147.11674	48.4
149.13255	17.5
151.11156	2.2
157.10158	2.5
159.02792	1.9
159.11679	24.5
161.13235	40.1
162.09163	2.3
163.14790	5.6
165.12784	3.1
167.10675	2.0
171.06566	1.2
173.13246	21.2
175.14815	35.9
177.16344	6.7
179.10683	3.0
181.04951	21.0
181.06433	1.9
182.05263	5.8
184.09169	1.1
187.14778	15.6
189.16386	2.5
193.12228	40.5
193.15938	2.4
201.16385	15.5
203.14398	1.2
205.12221	4.0
207.12003	1.0
207.13791	25.0
208.09712	1.7
215.14439	1.1
215.17947	6.6
219.13860	5.8
221.15353	29.3
223.16901	1.2
223.91196	1.2
229.19496	1.3
231.04968	14.0
233.15443	6.6
245.22667	3.7
247.16968	4.5
249.06033	14.0
257.22614	100.0
258.22943	3.7
267.21103	2.3
275.23618	6.3
284.20944	1.9
285.22144	7.7
291.23166	4.7
301.21469	2.3
303.23148	93.5
304.23569	3.7
307.11917	1.1
393.24298	1.4
419.27829	2.5
505.27609	4.4
533.27094	1.7
558.20685	2.1
559.20740	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	770.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06200	0.8
55.01870	2.5
55.05512	2.3
57.03434	8.1
61.02924	4.4
63.49179	0.8
64.36265	0.7
65.89736	0.8
67.58290	0.8
69.03426	10.6
71.01352	2.6
71.04991	15.1
73.02913	28.4
75.04479	1.5
81.03405	1.9
83.04969	8.4
85.02901	28.5
87.04464	1.7
89.03900	2.0
94.06548	4.7
97.02892	16.1
99.04462	1.2
107.04967	1.3
110.06025	3.6
111.04436	6.5
115.03919	7.0
117.03378	4.1
122.06031	26.4
123.06348	0.8
127.03876	1.0
129.05467	6.2
133.04984	4.9
135.04407	7.8
138.05508	3.7
139.03966	0.9
140.07048	6.6
145.02821	8.0
147.06508	3.9
150.05505	20.6
150.06721	1.3
151.03824	1.1
163.02451	1.7
163.03896	78.0
168.06558	100.0
169.06953	1.1
181.04990	2.9
207.13538	1.0
225.07483	1.4
261.09839	1.0
300.11285	1.0
307.08124	1.1
314.12415	1.5
325.09180	21.0
326.09518	1.0
335.62338	0.9
446.17047	1.0
492.15009	26.5
593.08752	1.1
638.20319	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	770.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.05507	8.0
56.63544	1.1
59.04116	1.0
65.03929	1.7
67.05508	3.3
69.03411	2.7
69.07063	14.5
70.06588	1.9
71.42889	1.0
79.05481	4.5
81.03412	3.1
81.07062	6.4
83.04982	3.6
83.08611	5.8
85.02892	4.3
87.00838	1.3
89.03893	4.8
91.05476	11.7
93.03407	2.5
93.07033	3.9
95.04961	1.4
95.08600	8.5
97.02889	49.6
99.04426	1.1
103.05478	2.0
103.62611	1.0
105.01878	2.7
105.07027	24.8
107.04947	1.8
107.08597	10.5
109.02871	3.1
109.10136	5.6
114.88741	1.0
115.05450	2.2
117.03381	5.1
117.07003	5.3
119.08576	73.7
120.08963	1.4
121.02888	1.2
121.10133	6.0
123.04346	1.2
127.03893	4.4
127.66114	1.0
129.07013	3.9
131.08527	3.9
133.10133	35.6
135.04417	13.8
135.11687	2.4
137.02330	1.8
141.06950	1.9
145.02841	12.2
145.04922	1.2
145.10121	4.3
147.04340	1.7
147.11649	6.5
149.02347	2.3
157.06480	1.9
160.12486	1.2
161.05942	1.3
161.13248	3.0
162.78493	1.3
163.03900	98.7
164.04269	2.9
167.03413	12.0
169.10063	1.0
173.06027	2.5
173.13222	1.6
175.07512	6.1
175.14818	100.0
176.15178	3.8
177.05533	2.4
181.05042	1.0
185.05957	5.2
191.06834	1.3
193.15833	1.7
201.05414	1.8
202.19017	1.1
203.07039	3.8
213.05461	2.9
231.06555	6.1
259.06055	2.2
277.07050	27.5
295.08054	6.4
345.08051	1.9
349.69336	1.1
519.32025	1.3
543.13416	11.0
581.22095	1.1
591.27283	1.7
770.26801	8.9
770.39337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05508	6.9
57.03428	2.5
57.07063	2.3
65.03965	1.5
67.05500	9.0
69.03419	10.2
69.07066	9.7
69.31541	2.4
69.31953	3.6
71.04990	17.1
71.08624	1.3
73.02925	1.5
73.06548	1.2
79.05492	20.7
81.03423	8.6
81.07053	82.4
83.04989	1.6
83.08608	4.5
85.02905	23.1
85.06547	1.3
87.00826	11.9
91.05463	13.3
91.40547	1.0
93.07042	32.5
93.07607	2.2
95.04961	4.0
95.08604	25.8
97.02894	12.6
97.06534	2.2
97.10159	2.9
99.04456	4.0
99.08108	4.0
103.05473	1.4
105.01868	11.5
105.07022	42.1
107.08586	42.1
108.04484	1.4
108.08920	1.2
109.02884	9.1
109.10148	38.8
111.04448	2.7
113.09638	1.6
117.07027	2.5
119.08574	66.0
120.08932	1.8
121.10146	9.2
123.08033	1.1
123.11711	17.9
125.09629	1.7
127.03906	16.2
127.11189	27.9
131.08592	1.5
133.10124	38.6
135.11685	80.2
136.12045	2.4
137.05951	1.2
137.09557	1.4
137.13226	1.6
143.10660	10.4
145.04968	3.5
145.10132	3.3
147.07993	1.1
147.11667	25.1
149.13263	5.7
151.11188	1.6
153.12756	9.6
157.10100	1.8
159.02908	2.2
159.11714	2.5
160.12421	1.0
161.13252	13.5
163.03905	3.4
163.14815	2.8
175.14859	2.0
177.05515	1.4
177.16431	1.9
201.16409	1.5
203.17938	67.8
204.18320	2.3
205.19518	2.2
213.03952	1.7
215.18018	1.2
221.18987	100.0
222.19321	4.4
223.20663	1.2
231.04982	5.0
239.20253	1.8
249.05968	2.0
261.89725	1.1
311.20190	2.9
329.20883	2.3
433.22195	1.2
451.23160	3.4
461.08780	1.4
469.24658	1.6
584.57086	1.2
729.35803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75845	0.2
54.11709	0.2
55.05508	0.8
57.03424	0.3
58.42386	0.3
60.04528	0.8
61.60729	0.2
63.49665	0.2
67.05490	0.4
68.05000	0.5
69.03423	0.7
69.41386	0.6
69.41768	0.7
70.02949	1.7
70.06587	100.0
71.05000	0.5
71.06929	0.8
72.08150	4.8
79.05501	0.4
81.03418	0.9
81.07056	1.6
82.06603	0.3
84.08134	0.5
85.02894	1.7
87.00829	0.7
87.05585	5.1
91.05492	0.7
91.72701	0.2
93.07044	0.7
96.08131	2.0
97.02889	1.2
98.06047	0.6
98.09701	0.8
99.04443	0.2
100.07619	0.6
101.07141	0.4
105.01875	0.6
105.07011	0.8
105.58814	0.2
107.08580	0.9
109.02845	1.4
109.10167	0.6
111.09264	0.3
115.05041	0.3
115.08681	1.5
116.07090	1.1
119.08565	1.3
120.08099	9.4
122.06013	0.4
123.04447	0.7
124.07614	0.4
124.11223	0.5
125.07103	1.4
127.03912	1.4
127.05001	0.5
127.08692	0.7
127.11195	0.4
127.32335	0.3
132.08086	0.6
133.10173	0.7
135.04427	1.0
135.11705	1.1
137.06009	0.3
139.05057	0.5
139.08673	2.8
140.07037	0.7
141.10194	1.7
143.04881	0.3
143.09599	0.3
143.10698	0.3
145.02829	0.4
147.11581	0.3
150.05515	0.4
151.08708	1.0
153.10278	0.3
155.08191	1.1
156.07695	0.3
157.06096	0.8
157.09726	3.5
159.02911	0.3
161.05989	0.8
163.03940	0.6
167.04520	0.5
167.08141	7.6
169.08472	0.3
169.09695	1.2
169.13350	17.3
170.13654	0.3
173.06004	0.7
174.08745	0.3
177.10231	1.0
183.11391	0.8
184.07162	0.8
184.10872	0.8
184.52827	0.3
185.05821	0.5
185.09210	3.3
189.10211	0.3
193.09763	0.4
193.13400	0.6
195.07674	2.0
195.11261	0.3
195.14948	1.0
196.06055	1.1
197.12830	6.4
202.08301	0.7
202.11908	0.8
203.03413	0.3
203.11858	0.6
203.17981	1.1
205.09723	3.3
206.12886	0.8
209.09219	0.4
212.10277	0.7
214.15474	0.3
217.09923	0.4
217.13344	0.5
219.14949	1.1
221.07948	0.3
221.12898	0.9
221.18924	1.4
224.10329	0.6
224.14061	0.3
226.11906	0.9
231.11342	0.3
236.10265	1.8
238.11897	0.6
247.14403	0.6
249.12268	3.4
252.09964	0.3
252.13446	0.7
254.11427	0.9
254.15285	0.4
256.12872	0.6
258.12344	0.3
259.14441	0.6
264.09811	0.8
271.13870	1.3
273.06024	0.4
276.13470	0.7
277.11804	1.2
280.09320	0.4
281.12427	4.0
282.10681	0.6
292.09326	0.3
293.15985	0.4
294.14453	0.9
297.11948	0.4
299.13483	6.2
302.14960	0.5
304.16544	0.7
307.09500	0.3
309.11859	0.3
310.10629	0.4
311.17203	0.9
314.15012	0.4
325.10684	0.7
325.15024	0.8
325.18781	1.0
330.18158	0.6
335.17001	0.3
344.19833	1.1
345.19470	0.3
351.16772	0.3
368.19241	0.4
370.17331	0.9
373.18683	0.4
375.20395	0.4
379.16321	0.8
396.18726	1.5
401.21701	1.5
409.17957	0.6
413.21225	0.3
427.19382	0.8
444.26035	3.0
460.22159	0.3
467.26239	0.6
472.25479	8.5
473.25754	0.5
477.24789	0.5
478.22952	0.7
486.05301	0.3
495.25778	1.7
496.26114	0.3
512.28632	0.4
521.27386	0.5
524.24701	0.4
528.24683	0.3
529.24139	0.4
539.22614	0.6
541.27673	0.5
556.25177	0.6
557.23865	0.7
569.28198	0.3
574.26099	2.2
586.29889	0.6
606.28558	0.5
610.29675	0.5
623.31860	0.3
628.30927	0.4
638.31348	0.3
642.32855	0.5
656.33014	0.5
684.30151	0.4
699.33459	0.6
707.35022	0.5
725.36438	1.5
735.33972	1.5
742.38739	1.7
752.37079	2.1
753.35608	3.1
770.24591	0.6
770.38147	6.5
771.38458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	16.3
55.05513	27.6
57.03423	10.8
65.03918	5.2
67.05505	82.6
69.03426	6.0
69.07064	29.3
71.04981	4.4
72.96684	3.0
79.05493	100.0
81.03418	14.1
81.07061	86.0
83.04987	24.1
83.08617	16.2
85.06547	5.3
86.54850	3.3
89.86289	3.1
91.05476	88.0
93.07042	94.4
95.04969	32.3
95.08602	45.2
97.06515	20.5
97.10152	10.4
99.08063	3.3
103.05430	2.8
105.04543	6.0
105.07026	61.0
107.04941	16.6
107.08590	45.7
109.06516	6.9
109.10148	11.8
111.08112	4.2
117.07031	22.9
119.08575	43.7
121.06518	4.4
121.10159	16.1
121.43589	3.1
123.08053	9.4
123.11689	4.6
125.09583	2.9
129.07001	19.5
131.08560	16.3
133.10130	29.2
135.08032	6.0
135.11674	13.5
137.09630	3.4
141.06960	3.4
143.08559	11.6
145.10132	28.1
147.08051	3.8
147.11688	47.9
149.09634	16.3
149.13261	8.5
151.11284	3.5
157.10092	4.4
159.11589	14.6
161.09546	3.2
161.13255	14.9
163.11128	8.8
171.11697	25.8
173.04419	3.0
173.13127	3.2
177.12727	6.0
179.14265	3.9
183.11673	4.1
184.07346	3.6
189.12700	9.9
207.13812	27.7
227.12831	15.1
253.14355	5.4
255.15935	5.6
257.18970	10.0
269.17468	12.1
275.20071	52.6
281.17462	79.8
282.17755	3.6
349.23761	21.3
435.27435	4.4
451.26459	3.3
461.28851	22.9
475.30542	84.5
476.30948	3.9
515.33905	5.7
555.36725	58.8
573.37878	6.3
593.59644	3.4
664.54352	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	770.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.2
57.03432	7.1
59.97018	1.6
65.03925	3.0
67.05500	14.8
69.03419	2.6
69.07060	16.7
69.10755	11.4
69.96280	1.7
79.05481	8.8
81.03417	32.8
81.07054	19.0
82.03737	2.4
83.04967	5.0
83.08612	5.1
86.09729	2.1
91.05470	8.2
93.07038	12.6
93.22701	1.7
95.04964	44.8
95.08605	24.0
97.06518	13.0
98.22713	4.7
99.04412	2.2
105.07026	16.0
107.04964	3.7
107.08591	17.0
109.06519	15.1
109.10145	26.3
111.08067	3.9
115.58043	1.6
117.06990	4.3
119.08565	19.6
121.06509	11.1
121.10107	11.3
123.04414	13.4
123.08061	26.0
123.11716	9.9
125.09613	7.7
129.06960	2.4
129.56021	1.8
131.08531	11.2
133.06462	2.9
133.10117	19.3
135.08054	13.7
135.11674	9.2
137.09624	4.4
141.06953	2.0
143.08531	8.3
145.06479	4.5
145.10095	17.9
147.08046	8.6
147.11679	18.8
149.09645	8.8
149.13263	6.4
151.07573	2.5
151.11186	21.2
155.08507	3.1
156.09334	2.7
157.10110	8.4
158.10855	3.9
159.08015	4.9
159.11696	16.2
161.09627	12.8
161.13245	21.6
163.11166	4.9
163.14810	6.8
165.12633	2.4
167.14330	3.5
169.10173	2.0
171.11662	8.0
172.08760	1.9
173.09583	6.5
173.13234	30.0
175.07530	3.3
175.11179	6.0
175.14839	9.6
176.11945	4.7
177.09071	2.4
177.12729	4.8
179.10655	24.4
181.10129	2.0
183.11687	3.1
184.07321	2.2
185.09586	6.4
185.13226	3.4
187.11154	5.1
187.14774	7.8
189.09135	2.6
189.12740	6.0
191.10651	3.7
191.14290	67.8
192.14635	1.9
193.10605	2.6
193.12181	12.2
197.09630	3.4
197.13304	2.2
199.11183	5.0
199.14795	2.8
201.12642	4.8
201.16365	8.0
203.14503	2.3
205.12247	12.7
207.13799	9.4
208.12445	2.2
209.09665	2.9
209.13370	2.3
209.15361	38.3
211.11172	6.8
211.14796	2.8
213.12685	6.3
215.10675	2.6
215.17801	2.8
217.12164	4.2
219.13789	22.7
221.15344	2.8
225.12737	3.2
227.14436	4.1
229.12248	3.0
231.13739	5.3
233.15263	3.8
239.14296	4.7
241.15784	2.8
245.15273	4.6
247.17125	2.0
253.15945	2.0
255.13931	3.5
257.15378	7.1
257.22626	35.6
267.17383	2.1
269.15399	2.6
271.16855	4.7
285.18484	7.7
285.21936	3.2
287.16309	5.7
287.19290	2.0
295.16797	11.0
295.19806	1.8
303.23090	19.7
313.17957	100.0
314.18423	2.5
321.66046	1.8
331.19012	83.6
332.19330	3.9
365.19464	5.0
373.20178	8.7
391.21109	20.8
408.23785	12.6
569.40045	2.1
587.40961	4.7
598.20654	1.8
615.39301	2.2
647.42670	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	771.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80975	0.3
69.62027	1.0
74.02441	0.7
79.24987	0.3
79.69753	0.3
85.02905	0.4
89.03906	0.5
91.05488	1.1
98.23373	0.7
98.97569	0.6
115.05454	1.2
116.98630	0.5
117.03393	0.7
117.05773	0.9
117.06995	1.0
118.06535	20.6
119.06856	0.5
130.05017	0.7
130.06519	1.1
132.08084	5.7
142.06535	1.8
143.07286	3.1
144.04439	0.8
144.08078	12.5
145.02847	1.9
145.08418	0.4
146.05998	66.3
147.06329	1.5
159.09172	5.9
160.07588	0.7
170.05989	4.8
177.05458	2.4
181.04990	0.4
188.07054	100.0
189.07413	2.3
205.09720	30.7
206.10031	0.9
265.03854	0.5
269.03357	0.4
331.09549	0.5
459.08069	0.4
493.15186	0.3
560.00159	0.4
581.77789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22347	1.0
69.87307	3.0
81.07072	1.7
85.02922	1.1
119.01987	2.1
131.69643	1.0
133.10229	1.1
135.26880	1.1
141.73483	1.0
163.04025	1.7
185.04291	1.5
203.05255	55.5
227.05453	2.6
256.88654	1.1
271.04190	5.8
288.09222	1.5
289.05240	1.1
299.23593	1.1
317.09506	1.2
317.12549	5.4
323.17517	1.2
325.21640	3.0
341.23538	1.4
343.22375	10.6
361.11569	5.8
361.24011	1.4
403.23764	1.2
438.23599	1.3
445.99115	1.3
461.28827	6.0
477.12933	4.1
505.27698	44.6
506.28278	2.2
509.15546	3.1
523.28760	56.2
524.29181	2.0
547.29016	1.4
573.26538	8.1
591.27527	14.3
591.35052	1.3
609.28748	2.4
655.27765	1.7
685.33972	1.6
709.33612	6.1
715.86060	1.2
727.35291	12.9
739.26520	3.4
753.32941	59.7
754.33502	5.5
771.34283	100.0
772.34644	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	771.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.7
81.07048	6.3
87.00829	1.4
104.32575	1.8
107.08631	2.0
116.43978	1.5
119.01934	1.7
119.08501	2.2
121.10188	2.0
140.44954	1.5
147.11703	2.4
155.37204	1.4
163.04013	1.5
203.05283	5.9
227.05357	1.7
228.82388	1.6
243.04584	1.7
245.06331	35.4
245.08759	2.8
257.01059	1.6
259.87082	1.4
264.30014	1.4
271.04239	1.7
288.08652	1.6
289.05295	31.0
290.05725	1.6
317.12531	3.3
341.23135	1.7
343.10565	1.9
343.22379	6.3
361.11472	9.3
361.23364	2.0
403.23285	4.1
427.14478	1.8
430.66956	1.5
477.12564	5.8
505.27658	8.3
509.15314	4.0
523.28680	13.2
547.28387	6.5
565.29932	9.8
591.27618	14.0
609.28821	31.6
610.29144	2.2
623.24811	2.0
655.26599	1.9
691.17340	1.6
695.25458	1.7
727.35315	8.4
739.25812	7.1
748.72559	1.5
753.33203	16.1
758.36127	1.5
771.34338	100.0
772.34503	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05513	11.9
56.16692	1.0
57.03439	6.8
57.07069	1.4
59.04993	0.9
60.81012	1.1
61.02924	17.6
65.03924	2.7
67.05500	28.6
69.03426	9.4
69.07069	11.3
69.08985	4.6
69.09403	2.4
71.01351	1.6
71.05000	2.5
73.02909	9.3
79.05489	22.1
81.03417	4.4
81.07053	25.8
81.07507	1.9
83.04963	2.0
83.08631	6.8
85.02899	17.3
85.06542	2.0
91.03956	8.1
91.05474	17.1
93.07046	20.3
95.04950	5.1
95.08604	24.4
97.02887	16.6
97.06522	2.8
97.10168	3.0
98.23453	2.2
101.02378	3.4
103.05510	1.0
103.49138	1.1
105.04523	1.5
105.07018	17.8
106.07358	1.1
107.08595	12.7
109.02940	1.2
109.06475	1.9
109.10143	8.1
111.08083	1.6
115.03943	1.2
115.05476	2.6
117.06992	9.9
119.08564	14.0
121.10146	6.6
123.08102	1.4
123.11749	2.2
125.09624	2.0
127.03945	2.5
128.06241	4.4
129.06985	11.8
131.08557	15.9
133.10126	11.7
135.08081	1.1
135.11711	3.4
141.06958	7.3
142.07774	3.2
143.08562	15.2
145.10127	15.9
147.11670	6.4
147.25893	1.1
149.13248	1.9
153.07019	1.8
154.07800	1.4
155.08531	12.7
156.09355	2.7
157.10127	12.8
159.11684	9.5
161.13263	3.5
163.14828	1.3
167.08533	7.6
168.09377	2.1
169.10123	14.8
171.11668	13.8
173.13206	7.4
175.14838	2.0
179.08574	3.1
180.09264	1.6
181.10098	7.3
182.10954	1.1
183.11696	14.6
184.07225	1.4
185.13263	7.1
187.14842	3.0
189.16319	1.4
193.10165	3.2
195.11703	9.6
196.12444	1.1
197.13228	11.1
199.14848	5.7
201.16435	2.3
207.11722	3.9
208.12427	1.1
209.13277	7.7
211.14772	7.3
213.16418	3.7
215.17982	1.1
221.13316	3.5
223.14809	5.5
225.16290	4.9
227.18063	2.4
235.14845	2.7
237.16417	3.8
239.18013	2.8
247.14825	1.1
249.16281	1.1
251.17970	2.4
265.19534	1.6
281.22540	1.7
297.22000	1.7
323.23514	1.5
335.23392	1.2
353.24777	1.8
363.26746	1.5
365.28394	2.2
421.30777	1.1
433.31030	1.1
501.35004	1.1
517.40833	5.9
535.41272	3.0
539.37317	2.4
540.37994	1.5
545.39020	1.2
591.44275	4.8
607.43073	2.9
609.45099	100.0
610.45081	7.7
611.46698	1.2
621.45343	2.0
717.47662	1.3
771.50653	18.1
772.50629	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05506	13.7
57.03439	5.6
57.07066	1.6
61.02924	17.9
62.27041	0.9
65.03928	2.9
67.05162	1.6
67.05503	27.9
69.03423	9.6
69.07060	12.1
71.01355	1.3
71.04988	3.2
73.02909	9.9
74.89329	0.9
79.05489	21.5
81.03397	5.2
81.07050	27.0
81.07507	1.9
83.01302	0.9
83.04964	4.7
83.08615	7.0
85.02901	14.4
85.06579	1.7
91.03960	8.9
91.05477	19.6
93.07042	23.2
95.04966	5.0
95.08599	22.3
97.02878	13.8
97.06500	2.1
97.10161	3.5
97.61358	1.2
99.04488	1.2
101.02402	2.0
103.05452	1.5
105.04500	1.4
105.07024	16.8
107.04948	2.5
107.08593	13.4
109.02916	1.5
109.06518	3.0
109.10130	9.2
111.04518	0.9
111.08065	1.6
115.05451	2.6
117.06994	10.7
119.08576	15.8
121.10136	6.9
123.08062	1.2
123.11688	2.2
125.09645	1.4
127.03908	3.2
127.19778	1.1
128.06186	2.5
129.05559	1.2
129.07010	11.7
130.99985	1.0
131.08562	14.7
133.10121	10.5
135.08058	1.5
135.11694	5.3
137.09637	1.6
141.06972	4.3
142.07748	3.1
143.08557	18.5
145.10098	15.1
147.11673	7.6
149.13271	2.6
153.07057	0.9
154.07774	1.6
155.08551	13.5
156.09328	2.6
157.10097	15.8
159.11699	11.0
161.09721	1.2
161.13248	3.2
165.07011	2.1
166.07896	1.2
167.07390	1.1
167.08551	5.6
168.09410	1.2
169.10109	14.1
170.10724	1.2
171.11650	10.5
173.13254	6.7
175.14783	1.9
179.08499	3.1
181.10130	8.2
182.10825	1.2
183.11687	15.1
184.07329	1.4
185.13243	9.3
187.14830	3.8
189.16402	1.3
193.10046	4.5
194.10809	1.0
195.11678	10.5
197.13226	11.7
199.14821	6.7
201.16399	2.5
205.10095	1.2
207.11668	3.3
209.13214	8.0
211.14774	8.3
213.16391	3.4
219.11674	1.8
221.13165	3.2
223.14799	6.2
225.16447	5.1
227.18079	1.9
233.13246	1.1
235.14806	3.9
237.16437	3.2
239.17914	3.0
243.21263	1.2
249.16437	2.6
251.17963	2.7
253.19531	1.4
261.16403	1.2
265.19522	1.5
269.18683	1.0
297.22119	1.7
309.22174	1.4
321.22031	1.8
327.23175	1.1
353.24753	1.2
363.26410	1.2
365.28342	2.1
379.30090	1.3
381.27963	1.3
384.16638	1.2
391.25021	1.0
393.31714	1.4
421.29495	1.4
447.32468	1.3
515.37286	1.7
517.40472	5.8
527.38068	1.4
535.41254	3.8
539.37054	1.8
541.38910	1.8
573.43091	1.2
591.44104	6.3
607.43005	2.4
609.45074	100.0
610.45477	8.1
621.44836	2.1
633.44586	1.0
717.46484	1.5
735.47009	3.2
753.48639	2.0
771.50385	22.9
772.50159	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	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.6
57.03433	4.7
57.07072	1.8
57.54831	1.1
61.02926	15.5
63.55028	0.9
63.69137	0.9
65.03928	1.6
65.53539	1.0
67.05503	21.3
69.03432	9.2
69.07066	8.5
69.23180	2.6
69.23591	2.9
71.01353	1.1
71.04984	1.9
73.02920	9.5
75.53895	0.8
79.05490	14.9
81.03406	3.4
81.07054	24.1
83.04980	1.9
83.08611	6.1
85.02896	11.0
91.03970	7.6
91.05482	12.9
93.07045	15.9
95.04956	3.0
95.08601	18.0
97.02892	12.7
97.06512	2.7
97.10175	3.0
99.04446	1.6
99.08071	1.2
101.02380	1.3
105.07028	13.6
107.08595	9.1
109.02871	1.8
109.06525	1.7
109.10133	7.8
117.07012	8.0
119.08585	10.1
121.10122	7.0
125.26567	1.0
127.03974	1.5
128.06187	2.6
129.06999	8.1
131.08546	11.4
133.10147	8.2
135.11688	4.0
141.07021	3.5
142.07753	1.9
143.08549	12.0
145.10101	11.4
147.11676	5.2
153.07011	1.3
154.07785	2.0
155.08560	9.4
156.09274	1.4
157.10139	10.0
159.11713	8.6
161.13278	2.9
166.07835	1.0
167.08583	3.6
168.09311	2.1
169.10132	11.9
171.11673	10.4
173.13239	4.9
175.14812	2.7
179.08545	2.6
181.10086	7.0
183.11662	11.9
184.07321	1.6
185.13252	5.7
187.14835	3.0
189.16284	1.5
193.10172	2.9
194.10796	1.3
195.11583	7.6
196.12538	1.1
197.13287	7.5
199.14844	4.6
201.16409	2.0
207.11737	2.5
209.13220	5.7
211.14862	5.4
213.16341	2.2
219.11877	1.0
221.13318	2.5
223.14867	4.4
225.16405	4.1
227.18033	2.5
233.13298	1.0
235.14789	2.5
237.16376	3.1
239.17963	1.9
247.14955	1.1
249.16307	1.5
251.17931	2.9
253.19708	1.3
257.19089	1.1
265.19626	1.6
271.88776	1.1
309.22021	1.8
325.21707	1.3
337.21432	1.5
337.25449	2.0
349.24969	2.0
363.26755	1.2
435.32541	1.5
447.32141	1.6
501.35657	1.4
513.35950	1.4
515.37531	1.6
517.40381	5.2
535.41443	3.9
539.37341	1.4
591.44476	6.8
607.43390	2.7
609.45105	100.0
610.45410	8.3
621.45166	1.1
637.96710	1.4
753.49121	1.6
771.36493	1.3
771.50464	24.6
772.50073	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71334	0.2
55.05501	0.6
55.86926	0.2
57.02148	0.2
57.03433	0.9
61.00949	0.2
61.91241	0.2
63.02357	0.3
69.03432	1.6
70.18571	0.4
71.01341	0.4
71.04998	1.2
73.02911	0.3
79.05484	0.4
81.03413	0.7
83.04984	1.5
85.02899	4.9
89.03898	2.2
95.04942	0.4
97.02885	3.3
99.04437	0.5
107.04987	1.1
109.02861	0.3
111.04446	1.8
113.02357	0.8
117.03373	3.5
123.04412	0.2
124.43510	0.2
127.03907	0.5
129.05478	0.8
131.03394	1.0
135.04407	8.0
137.05965	0.5
143.03410	0.2
145.01678	0.4
145.02838	8.8
146.03169	0.2
147.06508	0.4
157.04936	0.4
163.03891	100.0
164.04224	2.2
165.05489	0.3
179.03450	0.3
179.07062	0.2
181.04932	1.5
218.67819	0.2
259.07980	0.3
300.39761	0.2
307.08026	0.6
325.09158	19.1
326.09637	0.9
468.73965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05486	0.4
57.03432	2.1
58.45284	0.2
61.02917	0.5
63.02368	0.3
69.03426	1.7
69.37263	1.0
71.01352	0.4
71.04990	3.8
73.02911	2.3
75.04474	0.5
79.05493	0.6
81.03410	1.0
83.04990	2.3
85.02901	10.0
87.04470	0.5
87.79146	0.2
89.03902	2.4
91.05445	0.4
91.50227	0.2
95.04976	0.3
97.02885	4.6
98.22739	0.4
99.04441	0.7
101.02383	0.3
103.03925	0.6
107.04949	1.0
109.02884	0.5
110.69408	0.2
111.04427	2.3
113.02367	2.2
115.03912	0.4
117.03374	3.3
123.04366	0.2
127.03906	0.6
129.05486	2.1
131.03392	3.7
133.04939	0.2
135.04411	8.9
137.05995	0.9
139.03874	0.2
145.02838	7.8
147.04416	0.2
147.06476	1.8
153.05421	0.9
157.04950	0.7
163.03889	100.0
164.04222	2.2
164.98355	0.2
165.05493	0.3
169.04939	0.2
170.00078	0.2
175.05966	0.2
179.07057	0.2
181.04976	1.4
231.09026	0.2
247.09869	0.2
259.08118	0.4
261.05103	0.2
263.09296	0.3
293.06662	0.3
307.08038	0.7
309.09622	0.5
325.09155	18.6
326.09470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05510	1.4
57.03182	0.3
57.03436	4.9
59.04991	0.7
59.19424	0.2
60.04504	0.6
61.02928	3.0
63.02374	0.3
67.05502	0.2
68.06721	0.2
69.03074	0.4
69.03428	6.9
69.31030	0.3
69.31436	0.8
71.01357	1.6
71.04992	8.6
72.04494	0.3
72.36954	0.2
73.02914	19.7
75.04476	1.2
77.03902	0.3
79.05499	2.0
81.03414	1.3
82.24947	0.2
83.04979	7.0
85.02900	19.3
87.04489	1.2
89.03910	2.5
91.05480	0.3
95.04961	0.8
96.04464	0.5
97.02888	10.0
97.06543	0.4
98.23416	0.4
99.04456	1.5
102.21123	0.2
103.03938	0.5
105.04494	0.2
107.04255	0.4
107.04949	5.3
109.02861	0.5
111.04445	5.3
111.81373	0.2
113.02349	0.3
113.06033	0.4
115.03928	6.3
117.03365	3.4
123.04428	0.7
127.03905	0.8
128.07086	0.3
129.05476	6.8
133.04961	4.1
135.04411	13.0
136.04744	0.3
137.05963	0.8
139.03874	0.8
143.16098	0.3
143.34697	0.2
144.06528	0.6
145.02849	6.4
146.03195	0.2
146.08121	2.0
147.06517	4.0
149.05927	0.4
150.07613	0.5
153.05463	11.2
157.04968	0.4
161.05952	0.3
163.03894	100.0
164.04201	2.1
164.09166	2.8
165.05464	0.3
168.06578	0.4
169.04982	0.2
170.08136	0.5
171.06546	0.6
174.07561	0.4
177.05515	0.2
181.04933	2.5
189.05525	0.3
192.08698	0.5
192.15114	0.2
195.06494	0.4
207.06541	0.3
225.07602	2.7
231.06596	0.4
243.08644	1.6
260.11227	0.3
261.07394	0.3
261.09775	1.0
265.06964	0.3
278.12213	0.3
279.10898	0.5
286.42963	0.2
295.07968	0.4
296.13373	3.5
307.08163	0.6
309.09525	0.4
325.09164	30.1
326.09418	0.8
366.73349	0.2
404.60193	0.2
459.13406	0.4
477.13736	0.5
494.16702	0.3
640.22296	0.5
772.26282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05501	0.7
57.03439	2.3
58.35258	0.3
61.02903	0.8
63.64473	0.3
69.03428	3.9
69.30200	1.7
71.01360	0.8
71.04993	5.4
73.02915	7.4
79.05484	0.7
81.03395	1.4
81.07046	1.1
83.04988	3.6
85.02404	0.6
85.02902	10.0
87.04446	0.5
89.03893	2.7
95.04939	0.8
97.02891	6.4
98.23562	0.6
99.04464	0.7
105.06986	0.4
107.04948	1.2
107.08604	0.4
109.02851	0.5
111.04451	2.1
114.10321	0.3
115.03927	2.5
116.39664	0.3
117.03368	4.8
118.03680	0.5
119.04914	0.3
121.06506	0.3
123.04425	1.2
123.11684	0.8
127.03896	0.9
129.05470	3.6
133.04942	1.0
135.04410	7.4
137.05980	0.6
139.03888	0.4
144.00314	0.3
145.02843	12.3
146.03232	1.5
147.04381	1.5
147.06467	1.6
149.05995	1.0
153.05478	1.0
161.06081	0.4
163.03893	100.0
164.04247	1.8
169.12273	0.6
171.07956	0.3
177.05464	18.7
178.05806	6.1
179.07086	0.3
181.04921	1.3
189.05435	0.5
195.06548	1.3
207.06519	0.9
225.07483	0.4
243.08705	0.4
261.09744	0.4
263.09232	0.4
281.10294	0.4
295.08072	0.4
296.13156	0.3
301.15930	0.3
307.08109	0.7
309.09604	0.7
325.09164	19.1
326.09717	0.6
326.17111	1.1
339.10800	2.4
340.10913	1.5
345.15488	0.4
459.12573	0.4
551.53381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05493	0.4
57.03436	2.1
59.04980	0.2
61.02919	1.0
67.00047	0.2
69.03420	2.9
69.19885	1.0
71.01340	0.8
71.04632	0.3
71.04988	4.3
73.02912	8.4
75.04459	0.3
81.03416	1.0
83.04975	2.4
85.02901	8.6
87.04462	0.5
89.03901	1.9
89.81129	0.2
91.05488	0.2
95.04954	0.4
97.02886	6.1
98.22663	0.4
99.04444	1.0
99.10918	0.2
101.02366	0.2
109.02878	0.3
111.04449	1.7
115.03921	2.0
117.03365	7.0
121.06472	0.3
127.03912	0.7
129.05460	2.1
133.04924	1.3
134.03609	0.4
135.04391	0.9
137.05991	0.3
139.03896	0.4
145.02835	30.2
146.03162	0.5
147.04330	0.2
147.06520	0.9
149.05963	2.9
149.07071	0.3
163.03889	4.0
169.04970	0.3
171.06514	0.2
177.05452	100.0
178.05803	2.1
179.51057	0.2
183.06589	0.3
195.06494	1.9
225.07565	0.5
243.08624	0.3
250.71324	0.3
261.09781	0.3
279.08594	0.2
305.10037	0.3
309.09592	0.7
321.09598	0.8
323.11194	0.8
325.09149	0.5
339.10712	27.1
340.11151	0.8
392.96234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05499	0.4
57.03442	1.6
61.02915	0.8
65.03929	0.3
67.05499	0.2
69.03426	3.4
70.06589	17.4
70.62964	0.3
71.01346	0.7
71.04630	0.3
71.04995	4.0
71.06306	0.3
71.06923	2.4
72.08138	0.9
73.02912	6.8
73.08485	0.2
75.04470	0.3
77.78461	0.2
81.03414	0.9
83.04975	2.3
85.02903	7.4
87.04459	0.3
87.05592	0.9
91.05473	3.7
95.04950	0.3
96.08130	0.3
97.02882	5.0
99.04472	0.5
103.03929	0.3
103.17648	0.2
107.04939	0.3
109.02841	0.3
111.04430	1.6
115.03355	0.2
115.03947	1.7
115.08678	0.3
116.07148	0.2
119.04935	10.4
120.05319	0.3
120.08105	1.4
121.06493	0.2
121.08412	0.5
123.04359	0.2
125.07111	0.2
127.03912	0.6
129.05492	2.2
133.04973	0.9
133.56505	0.2
135.04420	0.2
139.03882	0.5
139.08643	0.5
141.10240	0.2
145.02879	0.3
147.04398	100.0
148.04726	1.9
151.07545	0.5
157.09724	0.5
158.10112	0.2
163.03891	2.2
165.05473	2.9
167.08192	0.9
168.08505	0.3
169.13338	2.5
170.13684	1.0
177.05443	0.3
181.08752	0.2
185.09218	0.6
193.08591	0.3
196.56802	0.2
197.12810	1.0
198.13113	0.6
205.09721	0.4
207.06494	0.2
210.02095	0.2
225.07527	0.6
235.09668	0.2
243.08594	0.2
247.09485	0.2
249.12274	0.3
254.11334	0.3
277.10596	0.4
279.08411	0.3
281.12408	0.5
291.08569	0.4
293.10147	0.7
299.13470	0.8
300.13620	0.6
301.13977	0.2
309.09653	22.7
310.09927	0.8
325.09177	0.5
345.19907	0.2
363.35840	0.2
396.18716	0.2
397.18665	0.2
402.22253	0.3
445.25998	0.4
455.15237	0.2
471.71606	0.2
472.25818	0.4
473.25565	0.8
474.25967	0.5
495.25555	0.2
497.25967	0.2
508.37244	0.2
587.29376	0.2
726.37152	0.3
744.39038	0.3
753.37238	0.3
754.35968	0.5
755.35760	0.6
771.37280	0.2
772.38519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01875	0.2
57.03438	1.4
61.02921	1.3
67.05524	0.2
68.99786	0.3
69.03415	0.8
70.77867	0.3
71.04990	8.1
73.02907	0.5
75.04463	0.5
81.03414	0.4
83.04979	0.7
85.02898	10.5
86.09735	0.2
87.04463	0.4
91.03964	1.0
93.03374	0.4
97.02892	1.2
109.02872	0.3
111.00779	0.8
121.02852	0.7
123.04465	0.3
127.03897	0.8
129.05475	2.5
135.04359	0.3
137.02333	2.4
145.04982	0.3
147.06520	0.8
147.07603	0.3
149.02365	0.4
153.01804	2.6
163.03923	0.8
164.12901	0.2
165.01805	1.5
171.99416	0.2
173.06056	0.3
183.02850	0.6
191.03468	0.2
195.02841	0.2
201.03810	0.2
201.05453	1.1
204.60733	0.2
207.57524	0.2
229.04950	3.6
247.06000	0.7
257.04388	2.1
274.04807	0.5
275.05542	0.2
285.03885	1.2
287.05573	0.6
303.04965	100.0
304.05298	3.1
343.04193	0.2
345.06073	0.3
418.43579	0.2
447.09119	0.2
449.10461	0.4
465.10284	22.3
466.10172	0.9
631.45801	0.2
689.79468	0.2
725.91425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01868	0.4
57.03435	1.6
61.02909	0.5
68.99794	0.3
69.03432	1.4
70.36029	0.1
70.56128	0.3
71.01344	0.3
71.04991	8.4
72.66447	0.1
73.02910	0.3
75.04477	0.4
80.13033	0.2
81.03413	0.7
83.04976	0.4
83.33159	0.1
85.02903	13.1
87.04455	0.3
93.03445	0.2
95.04962	0.2
97.02884	1.2
99.04446	0.4
109.02881	0.6
111.00809	0.5
111.04432	0.3
121.02861	0.7
121.12171	0.1
123.04420	0.3
127.03872	1.0
129.05481	2.4
137.02319	2.6
145.02831	0.3
145.04967	0.6
147.06488	0.6
147.07632	0.4
149.02361	0.4
153.01820	2.8
161.05963	0.3
163.03909	1.0
165.01830	1.9
166.02615	0.2
173.06052	0.3
177.05493	0.3
183.02893	0.6
187.03873	0.3
192.52992	0.2
195.02924	0.3
201.05440	1.1
205.04875	0.2
213.05376	0.2
219.02985	0.2
229.04970	3.4
247.06013	1.0
257.04407	2.5
274.04715	0.6
275.05392	0.2
285.03946	1.3
287.05557	0.9
302.03961	0.2
303.04962	100.0
304.05301	3.0
315.04913	0.2
345.05923	0.8
447.09491	0.3
449.10580	0.5
465.10275	19.7
466.10727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01862	0.4
57.03435	1.5
59.04979	0.2
61.02914	0.6
61.55738	0.2
61.85735	0.1
68.99786	0.4
69.03432	0.8
71.04993	8.2
71.22582	0.2
73.02922	0.3
75.04469	0.3
76.74859	0.2
81.03403	0.8
83.04980	0.7
85.02901	11.6
87.04439	0.2
93.03409	0.3
95.04949	0.2
97.02900	1.2
99.04469	0.2
109.02863	0.6
111.00798	0.8
111.04414	0.3
121.02029	0.2
121.02858	0.7
127.03919	0.9
129.05469	2.0
132.44127	0.2
137.02330	2.5
140.11691	0.2
145.04973	0.7
147.06487	0.5
149.02348	0.5
153.01836	2.7
163.03902	0.5
165.01823	1.6
173.06026	0.2
175.12234	0.2
183.02849	0.6
185.38467	0.2
187.03899	0.2
201.05487	0.9
205.04947	0.2
219.06635	0.2
229.04942	3.4
247.05978	0.5
257.04468	2.4
274.04715	0.6
275.05331	0.2
285.03925	1.2
287.05475	0.6
303.04971	100.0
304.05325	4.0
345.06061	0.3
430.25613	0.2
447.08737	0.2
465.10281	19.4
466.10419	0.7
627.14899	0.2
628.24573	0.2
643.23615	0.2
682.60571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2125
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01852	0.3
55.05486	0.4
55.48268	0.2
57.03221	0.2
57.03436	2.2
61.02918	2.6
65.12014	0.2
68.99777	0.4
69.03443	1.3
69.24210	0.4
69.24612	1.1
71.04989	10.1
71.57390	0.2
72.37791	0.2
73.02908	1.1
75.04460	0.8
81.03403	0.5
83.04984	1.7
85.02898	17.0
85.89670	0.2
87.04480	0.4
91.03956	1.9
93.03392	0.2
93.07013	0.2
97.02900	2.7
99.04447	0.6
109.02846	0.9
111.00778	0.8
111.04447	1.1
118.94316	0.2
121.02910	0.5
127.03931	1.6
129.05472	4.1
137.02304	2.3
145.04944	1.8
145.06035	0.3
147.06516	2.3
153.01801	2.7
161.05925	0.3
163.03889	0.6
163.05975	1.1
165.01807	1.3
173.05855	0.3
173.12064	0.2
177.05486	0.3
183.02855	0.4
196.66705	0.2
201.05453	1.2
219.06500	0.3
229.04893	2.9
247.06006	0.7
255.08652	0.6
257.04410	1.9
274.04645	0.6
285.03931	0.8
303.04953	100.0
304.05295	3.1
345.05569	0.4
369.43747	0.2
411.07922	0.3
465.10257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99465	3.2
55.05513	25.7
57.03435	15.0
57.07052	6.6
61.02927	11.8
61.26704	4.1
67.05164	6.8
67.05505	86.1
69.03462	9.9
69.07077	30.9
73.02910	6.4
79.05494	78.7
81.03397	5.3
81.07059	100.0
81.08645	4.2
83.04985	5.3
83.08617	18.1
85.02912	11.1
91.03975	6.9
91.05487	60.9
93.07045	87.1
95.04958	13.6
95.08603	85.7
97.02887	11.2
97.06533	7.7
103.09990	4.2
105.07031	64.5
106.06482	3.9
107.04948	6.0
107.08592	55.0
109.10154	35.9
111.08068	3.9
117.07025	26.1
119.08573	70.0
121.10149	43.3
123.11727	6.4
129.07016	13.9
131.08559	39.5
133.10114	48.6
135.08183	3.9
135.11673	34.0
141.07019	4.8
143.08548	21.6
145.10106	34.7
147.08144	4.2
147.11668	38.6
149.13275	13.8
157.10078	25.5
159.11702	29.9
161.13234	29.1
169.10103	11.3
171.11682	21.6
173.13289	18.7
175.14888	15.1
181.10191	6.0
183.11671	6.7
185.13251	17.2
186.68980	4.6
187.14850	11.0
197.13341	6.1
199.14749	5.7
209.13217	6.4
211.14757	6.0
213.16379	8.9
241.19525	19.7
253.19376	4.0
257.18909	5.4
257.76764	4.1
259.20563	33.1
261.22089	5.1
297.21924	4.3
313.21616	6.8
333.24103	19.8
335.25778	45.2
593.45343	6.3
611.46655	39.5
729.29987	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	774.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05494	0.5
57.03431	1.8
59.05011	0.2
61.02925	1.1
63.02370	0.3
69.03426	3.0
71.01340	0.7
71.04990	3.5
73.02913	6.7
75.04465	0.3
79.05484	0.5
81.03410	0.8
83.04977	2.4
85.02897	7.6
86.06046	0.7
87.04456	0.3
89.03901	1.9
91.05479	0.3
95.04964	0.4
97.02254	0.3
97.02886	5.5
99.04430	0.4
103.03908	0.2
107.04932	0.7
108.01085	0.2
110.02741	0.3
111.04440	1.5
115.03914	1.8
117.03368	2.7
123.04425	0.3
127.03889	0.8
129.05458	2.1
133.04948	1.0
135.04395	7.1
136.04723	0.2
137.05943	0.4
139.03850	0.3
145.02829	7.2
147.04391	0.3
147.06537	1.0
149.04431	0.2
151.03845	0.2
152.03693	0.3
157.25850	0.2
159.94936	0.2
163.03885	100.0
164.04231	2.2
165.05502	0.3
169.04961	0.3
179.07065	0.3
181.04944	2.1
181.06439	0.3
197.08119	0.2
225.07590	0.7
233.08247	0.2
243.08626	0.2
261.09717	0.2
262.07434	0.5
265.06885	0.2
277.07040	0.2
279.10641	0.3
295.08105	0.5
296.13574	0.2
302.12888	0.2
303.04852	0.2
304.08508	1.2
307.08197	0.6
309.09506	0.9
317.10297	0.2
325.09140	22.3
326.09494	0.8
545.13940	0.2
761.97046	0.2
779.37604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05495	0.6
57.03431	1.5
57.17881	0.2
59.04980	0.2
61.02925	1.0
61.22847	0.2
61.86383	0.2
63.02385	0.2
65.03928	0.2
67.05481	0.2
69.03071	0.2
69.03424	3.3
70.37261	0.3
71.01334	0.7
71.04983	4.0
73.02908	6.9
75.04439	0.3
79.05468	0.3
81.03407	0.5
83.04971	3.5
85.02895	8.3
87.04449	0.4
89.03904	2.7
91.05531	0.2
94.06256	0.2
95.04953	0.6
97.02885	4.3
98.22827	0.2
99.04447	0.3
102.83228	0.2
103.03912	0.4
107.04954	1.0
109.02877	0.4
111.04412	1.7
114.22459	0.2
115.03923	2.4
116.74033	0.2
117.03364	3.3
118.03755	0.2
123.04395	0.2
127.03896	0.5
129.05472	2.9
133.04953	1.2
135.04401	7.8
136.04718	0.4
137.05969	0.5
139.03874	0.6
145.02829	7.4
146.03255	0.3
147.06525	1.7
149.04436	0.2
149.05940	0.2
151.07527	0.3
157.05026	0.2
161.05960	0.4
163.03882	100.0
164.04210	3.7
164.09180	0.3
165.04350	0.4
165.05566	0.3
171.06580	0.2
179.07019	0.4
181.03505	0.2
181.04880	0.9
188.77139	0.2
225.07617	0.8
243.08670	0.7
249.35091	0.2
261.09705	0.4
263.09094	0.3
273.07297	0.3
279.10638	0.6
295.08087	0.5
296.13342	0.3
307.08102	0.3
309.09515	0.6
325.09131	6.0
326.09387	0.6
327.09869	0.3
474.40649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05506	0.5
55.48540	0.2
57.03429	2.1
61.02914	0.8
64.30857	0.2
69.03427	3.8
69.11551	0.2
69.78921	0.6
69.79282	0.3
71.01351	0.7
71.04632	0.3
71.04988	4.2
73.02912	7.2
74.32048	0.2
76.00283	0.2
79.05470	0.6
81.03395	0.9
83.04973	2.7
85.02898	7.8
87.04449	0.3
89.03905	2.5
93.54720	0.2
95.04962	0.3
97.02880	5.2
97.45660	0.2
99.04448	0.5
101.02361	0.2
103.03938	0.3
107.04942	1.2
109.02888	0.3
111.04423	1.6
115.03917	1.9
117.03377	4.2
123.04382	0.2
127.03912	0.8
129.05479	1.6
133.04942	0.6
135.04401	8.9
137.05981	0.5
139.03865	0.3
145.02841	8.1
147.06493	1.3
149.04417	0.3
163.03888	100.0
164.04234	1.8
179.07027	0.2
181.04927	2.0
193.51883	0.2
225.07539	0.6
243.08800	0.3
261.09671	0.5
295.08002	0.5
307.08194	0.6
309.09509	0.7
325.09152	18.7
326.09390	0.3
585.55341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05506	4.8
55.90907	1.1
56.08524	1.3
57.03438	14.9
59.05009	1.9
61.02923	10.2
69.03426	23.7
71.01347	2.8
71.04994	40.1
71.41945	1.3
73.02914	28.8
75.04475	5.8
79.46308	1.1
81.03422	2.5
83.04977	22.6
85.02902	100.0
86.61142	1.3
87.04459	3.0
91.03959	6.3
91.05488	4.1
95.04980	2.8
97.02894	27.4
97.06564	1.3
99.04472	3.3
103.03952	2.3
109.02879	2.3
111.04439	20.1
111.32874	1.1
113.02385	2.4
113.05946	1.2
115.03936	22.2
116.45552	1.4
119.04958	2.1
121.06523	1.6
127.03902	10.0
129.05481	39.5
129.06456	2.1
133.04977	8.1
137.05971	29.7
139.03952	3.0
141.30490	1.3
145.04950	10.4
147.06526	24.0
149.06021	2.5
151.03911	2.2
151.07533	3.7
153.05473	1.2
155.07027	6.1
157.11365	1.5
161.06139	2.3
163.03903	2.0
163.06012	13.7
165.05441	3.3
165.07587	2.9
169.04987	3.0
171.06511	2.0
175.07610	1.9
179.07007	11.0
195.06541	1.6
203.07048	1.8
206.01128	1.5
207.06534	1.8
221.08093	4.5
225.07568	12.5
240.15422	1.3
243.08675	11.9
247.09737	4.2
249.05898	1.5
251.09102	2.5
255.08832	5.8
259.08057	2.4
261.09674	4.6
263.09390	2.7
265.10754	2.9
273.09692	4.7
277.09250	1.5
279.10745	24.8
281.10159	3.6
283.11819	1.9
291.10873	1.4
295.10281	4.2
301.12897	2.3
309.11807	12.6
317.12253	3.3
806.49695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05508	6.1
57.03433	2.1
61.02902	0.5
67.05500	2.7
69.03425	1.5
70.06584	0.6
70.67939	0.7
73.02924	0.5
79.05489	0.5
81.03421	0.5
83.04976	46.1
84.05310	0.4
85.02898	100.0
86.03242	0.8
86.14329	0.5
87.04463	2.0
89.04008	0.5
91.05473	5.1
93.07058	0.8
95.04951	1.0
97.02864	0.8
105.07024	0.6
107.04884	1.1
111.04439	28.1
115.05470	0.8
117.03414	0.7
119.04918	1.8
119.08581	0.7
121.06473	0.8
127.03907	6.9
129.05473	12.9
131.04921	1.0
132.05634	0.5
135.04410	1.6
137.05972	5.8
145.02824	0.8
145.06544	0.7
147.04425	0.6
147.08037	1.8
148.29379	0.5
149.05986	0.6
151.07544	6.5
160.05183	1.5
161.06000	0.8
163.03893	6.0
163.07544	0.7
165.09129	1.5
171.06514	81.8
172.06894	1.6
175.07530	31.1
177.05437	1.1
179.07133	0.7
193.08586	14.3
205.08627	2.6
215.06999	1.0
217.08611	0.8
231.08600	16.9
259.09619	2.2
277.10736	1.3
295.11636	0.7
299.12650	1.7
311.12756	2.8
319.11703	0.6
325.09088	0.7
494.42865	0.7
774.38910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05260	0.9
55.05512	12.3
57.03431	9.2
57.07070	1.8
61.02903	2.0
65.03925	2.1
65.50089	0.7
67.05501	55.2
68.05816	1.1
69.03410	1.7
69.07059	11.0
69.39637	4.5
71.04977	2.8
73.02901	1.2
79.05488	27.2
81.03424	1.6
81.07052	43.3
82.07350	1.0
83.04981	4.9
83.08608	5.9
85.02881	2.2
85.06533	5.0
91.03918	1.7
91.05473	37.6
93.07040	31.8
95.04962	9.7
95.08599	29.8
97.02879	1.5
97.06518	2.5
97.10181	1.5
98.23526	1.5
99.08102	0.8
103.03910	1.0
105.04517	1.9
105.07023	28.4
107.04930	1.0
107.08588	26.1
109.06516	3.2
109.10146	32.7
111.08069	1.2
113.05982	1.9
115.05442	1.0
115.07543	1.0
115.29903	0.9
117.07006	5.9
119.08579	12.8
121.10144	10.7
123.08064	1.6
123.11687	7.1
125.09635	1.0
127.07526	1.5
128.06239	1.9
131.08539	6.5
133.10114	66.3
134.10435	1.6
135.11673	8.3
137.09601	2.0
137.13263	1.2
143.08533	4.0
145.10132	3.7
147.11685	3.2
149.13251	3.9
151.11172	30.2
159.11670	3.1
161.09610	17.1
161.10857	1.7
161.13214	1.9
163.14780	2.2
169.12224	3.2
173.13254	3.1
175.14838	1.3
178.68967	0.8
179.10672	10.0
187.14777	1.6
197.11749	3.7
215.12775	16.8
243.21053	4.7
253.14331	17.3
253.16936	1.1
261.13321	1.3
261.22098	16.1
271.15286	5.4
279.23273	1.1
299.14911	5.8
317.15918	60.0
317.24722	3.4
318.16183	2.0
335.25769	100.0
336.26047	4.6
350.59476	0.8
363.25122	1.2
407.51431	0.9
457.32770	1.0
513.35541	1.7
531.36945	5.6
577.28479	1.9
577.37341	39.1
578.37506	2.9
595.38153	1.3
611.45490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.05501	13.3
57.03435	12.7
57.07068	1.2
57.63974	1.1
61.02918	4.6
62.35185	1.2
65.03929	2.8
66.97934	1.1
67.05499	59.1
69.03442	2.3
69.07063	16.0
69.10683	8.2
71.04990	3.8
71.25737	1.0
79.05485	30.5
81.03418	2.5
81.07052	54.5
83.04977	5.6
83.08616	7.5
85.02917	4.0
85.06540	6.0
91.03946	2.2
91.05476	54.8
93.07035	39.5
95.04967	10.4
95.08598	33.3
97.02904	1.4
97.06529	5.3
97.10162	2.1
99.04475	2.3
105.04510	1.5
105.07024	37.8
107.08586	39.0
109.06528	3.1
109.10149	52.0
111.08086	2.1
113.05989	3.0
117.07025	8.9
119.08571	15.5
121.10144	13.6
123.08055	2.1
123.11694	12.8
127.07595	3.0
131.08527	9.0
133.10120	96.0
135.08041	1.8
135.11682	8.1
137.09608	2.9
143.08577	5.8
145.10138	5.1
147.11707	3.3
149.13261	4.2
151.11172	43.2
152.11540	1.6
155.55296	1.2
159.11702	5.1
159.15262	1.1
161.09615	21.6
161.13277	3.0
163.14835	2.7
169.12244	6.9
173.13303	3.5
177.16354	1.4
179.10655	18.1
184.07364	2.0
187.14799	2.6
197.11754	5.2
215.12766	24.4
233.48010	1.2
243.21140	4.5
253.14313	21.2
260.16486	1.2
261.22134	17.8
271.15366	8.9
279.23123	1.6
299.14862	4.3
317.15930	100.0
317.24631	3.3
318.16254	1.8
335.25766	98.0
336.26151	3.4
513.35345	1.8
531.36829	5.8
577.37396	33.7
578.36871	2.0
594.10095	1.4
595.37836	1.7
767.10254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.8
55.05509	45.7
56.59848	3.9
57.03440	22.3
61.02917	6.2
65.03925	5.2
67.05502	80.7
69.03419	13.8
69.07062	43.9
71.04979	6.2
71.42424	7.9
73.02903	3.8
77.03937	3.5
79.05487	91.6
81.03414	97.6
81.07052	100.0
83.04974	27.7
83.08624	44.2
85.02914	29.0
85.06497	7.2
91.05477	96.7
93.07042	69.8
95.04962	51.1
95.08613	34.0
97.02882	13.3
97.06532	22.0
97.10162	29.0
99.08125	4.6
105.04488	6.4
105.07024	71.4
107.04978	20.5
107.08597	44.9
108.61282	3.9
109.06512	10.7
109.10136	16.6
111.04449	4.6
111.08077	17.4
113.05975	4.1
117.07017	19.4
119.08559	54.5
121.10111	28.8
123.08053	10.0
125.09628	16.2
129.07019	22.5
131.08569	24.0
133.06509	4.6
133.10117	38.6
135.08034	5.4
135.11697	12.2
142.07794	7.7
143.08549	4.2
145.10121	23.8
147.08063	4.8
147.11667	32.7
149.09607	23.5
149.13287	7.9
157.10135	25.1
159.11699	16.1
161.13235	7.9
163.11206	11.8
165.12772	9.1
171.11594	6.0
173.13260	5.2
175.11145	20.0
179.14262	4.6
184.07338	4.4
185.13216	6.0
189.11145	4.8
192.69368	4.2
193.12218	60.7
208.44882	3.9
211.11433	6.8
211.13266	82.9
213.23022	3.7
216.18948	4.2
227.12863	28.0
232.09062	4.0
257.19107	9.3
267.15826	34.7
269.17465	14.4
275.20038	50.2
285.16959	89.5
293.20840	6.5
294.76364	5.4
341.86346	4.6
349.23624	45.5
434.55649	5.5
447.27283	5.5
455.26212	5.6
461.28781	17.6
465.28491	7.9
479.29999	46.8
541.35291	26.4
559.36273	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
55.05258	1.7
55.05510	19.5
57.03440	19.4
57.07067	2.8
62.04959	1.3
65.03938	2.9
67.05502	63.4
67.05868	3.1
69.03437	3.9
69.07059	15.7
71.04996	3.6
79.05490	45.0
79.05949	2.9
79.34093	1.3
81.03416	78.9
81.07054	64.1
82.07408	1.7
83.04980	4.5
83.08623	20.9
85.06541	2.7
85.86871	1.2
91.05476	37.6
93.07043	48.4
94.74983	1.5
95.04960	29.9
95.08603	40.0
96.05263	1.3
97.02897	2.3
97.06522	5.2
97.10159	6.2
98.22720	3.9
99.08118	2.2
105.04514	2.6
105.07027	27.0
107.04956	7.9
107.08583	27.0
109.06516	5.9
109.10141	19.4
111.04422	1.2
111.08086	7.2
115.05394	2.2
117.07011	9.8
119.04919	1.4
119.08578	25.0
121.06487	4.2
121.10131	20.0
123.04408	2.0
123.08057	2.6
123.11706	7.9
125.09592	6.4
128.06206	2.0
129.07004	9.9
131.08549	17.6
133.06485	4.0
133.10135	15.4
135.07996	1.8
135.11673	12.3
137.09604	1.7
141.06929	1.7
142.07744	1.4
143.08549	2.9
145.06499	1.3
145.10123	9.5
147.08038	3.6
147.11673	12.3
149.09604	5.5
149.13266	6.5
154.45889	1.4
155.08522	1.7
157.10103	9.5
159.11658	8.9
161.13278	5.2
163.11226	2.5
163.14819	2.4
165.12708	1.6
171.11725	1.9
173.13309	5.3
175.11153	7.3
175.14928	1.4
177.12782	1.9
184.07368	2.2
185.13271	3.0
187.14868	2.7
189.11223	3.9
189.12755	1.7
193.12254	19.4
197.13167	1.6
199.14842	2.1
201.16388	1.9
202.67799	1.2
205.15797	1.6
205.84193	1.8
227.12779	9.0
235.13422	1.4
243.21082	6.6
249.14912	2.6
259.13284	1.9
261.22125	16.1
267.15906	100.0
268.16364	2.8
278.78876	1.3
279.23151	2.0
301.25156	7.7
309.16925	3.4
317.24777	3.0
335.25790	88.2
336.26138	3.9
421.25903	1.9
435.32651	5.0
453.33740	9.5
471.34512	3.7
527.37280	54.1
528.37317	5.2
545.38354	40.7
546.38623	3.7
569.38177	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12544	1.9
55.05510	18.6
57.03445	18.7
62.43246	2.0
65.03945	2.9
67.05502	55.0
69.03445	1.9
69.07069	12.5
70.93861	4.1
71.04996	4.8
71.33891	2.0
73.02926	2.3
73.40457	2.1
79.05491	44.1
79.23991	1.9
81.03414	78.1
81.07055	59.0
83.04982	5.9
83.08609	19.8
85.02913	2.6
86.09682	2.2
91.05472	41.0
93.07046	43.4
93.84095	2.2
95.04964	33.1
95.08604	41.8
96.16879	1.9
97.02885	2.1
97.06535	3.8
97.10185	6.6
105.07015	26.8
107.04953	6.9
107.08594	19.6
109.06523	5.2
109.10156	14.9
111.04415	2.0
111.08102	8.2
115.05442	3.5
117.07079	9.9
119.08572	25.1
121.06525	4.8
121.10147	22.2
123.11702	6.6
125.09632	2.3
128.06274	2.3
129.07010	10.1
131.08569	18.0
133.06487	5.1
133.10136	12.9
134.51936	2.4
135.08107	2.4
135.11700	9.9
137.09639	2.9
143.08554	3.4
145.10107	13.3
147.08064	2.7
147.11688	13.0
149.09521	4.7
149.13271	5.6
157.10123	10.7
159.11734	6.8
161.13257	4.4
170.23566	2.5
173.13307	6.7
175.11162	6.6
175.14761	2.7
184.07411	3.0
187.14738	2.6
189.11270	4.1
193.12215	22.4
227.12776	7.0
243.21083	4.5
261.22104	15.3
267.15894	100.0
268.16394	3.4
274.15552	2.2
285.22144	3.0
301.25363	6.6
317.24799	3.5
335.25793	85.7
375.29465	2.3
417.66843	2.4
429.60587	2.0
435.26929	2.7
435.32507	5.2
453.33813	9.9
471.34235	2.5
503.37112	2.7
527.37280	60.9
528.37579	3.6
545.38318	45.2
546.38770	3.4
577.41022	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	775.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92202	1.3
78.51431	0.8
85.02882	0.8
87.45609	0.6
121.22037	0.7
123.34337	0.7
147.69743	0.7
163.03986	1.9
164.04236	0.9
177.75082	0.8
231.87532	0.7
279.34113	0.7
305.16772	0.7
417.33041	0.8
759.64258	0.8
767.05261	0.9
775.22009	100.0
776.22272	9.1
792.88776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
70.06586	1.6
70.15520	1.4
70.15844	3.5
73.02917	2.4
79.53362	1.6
79.56606	1.2
81.03414	2.1
81.07054	1.5
83.04984	2.7
85.02905	7.7
85.20222	1.4
86.09707	1.3
87.04476	1.6
94.93597	1.3
97.02915	2.1
98.23422	1.9
105.07030	1.9
106.25917	1.5
121.10124	1.7
127.03970	2.0
137.06013	2.4
145.02850	2.4
145.10143	1.5
146.38490	1.6
147.04433	2.0
163.03864	11.7
164.04277	2.9
171.06564	4.6
177.05476	3.5
180.24283	1.5
192.84163	1.6
203.05307	2.9
227.05333	2.8
245.06284	15.7
261.18350	2.8
271.04254	1.8
272.20328	1.9
289.05243	23.7
325.09256	1.6
326.09537	1.9
331.19757	1.7
360.54590	1.6
423.23529	10.0
425.25061	2.1
441.24341	1.6
447.12143	1.4
465.24561	24.9
467.26443	7.1
483.25635	4.0
509.23553	100.0
510.24155	5.8
511.24881	8.8
527.24597	15.1
602.66766	1.5
687.32153	6.1
731.31042	12.9
775.29810	73.1
775.42841	3.6
776.30737	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	775.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.96560	28.9
67.05502	6.5
69.07056	1.7
74.97600	1.8
79.05487	5.0
81.03414	2.3
81.07036	7.1
83.08604	1.6
84.96026	4.6
91.05476	5.1
93.07038	5.6
95.04938	1.4
95.08593	3.0
97.02878	2.1
98.23418	5.0
98.97576	71.5
100.99149	1.9
105.07019	5.4
107.08569	2.4
109.06499	1.8
110.97556	18.0
112.99134	17.9
114.34733	1.5
116.98615	32.6
117.06984	1.6
119.08604	4.4
121.10120	2.8
124.99141	4.9
128.98587	22.5
131.00160	33.5
131.08553	2.8
134.99669	7.2
140.00153	1.7
140.98560	6.3
143.00166	15.1
145.10077	1.9
146.99638	12.8
147.11667	2.3
149.01218	38.3
149.09537	1.7
152.98610	3.0
154.01680	2.2
155.00137	2.8
158.99641	34.9
159.11610	1.8
161.01237	13.5
162.99034	1.7
167.02280	8.0
170.98257	2.8
170.99648	37.1
172.02951	2.9
173.01187	9.5
175.02759	3.4
177.00685	33.1
182.99605	2.8
185.01237	6.4
189.00696	34.1
191.02252	11.9
194.99641	2.0
195.01701	2.7
199.02814	5.0
200.02263	1.9
201.00664	9.9
203.02261	9.7
207.01744	3.2
209.01158	1.9
209.11685	1.6
212.02277	2.9
213.00734	6.3
215.02274	2.2
217.03816	7.5
219.01758	20.9
227.02309	3.3
231.01773	3.4
233.03363	3.4
236.62822	1.4
237.02823	12.3
247.94376	1.4
249.02739	1.5
261.02820	22.9
269.66168	1.5
275.04376	9.0
279.03845	24.2
291.03867	5.5
293.05426	39.0
295.16086	1.6
297.04837	9.0
301.16287	1.7
302.05548	2.8
309.04855	5.6
311.06476	16.3
314.02637	1.5
316.07114	1.8
317.17859	29.3
321.04898	100.0
335.18991	9.4
339.05933	6.6
362.07541	3.3
381.06909	7.4
391.16608	1.6
437.09650	25.2
453.08890	1.5
455.10736	57.1
485.63742	1.5
533.65045	1.6
539.25073	6.6
542.35736	1.6
553.27069	7.9
656.51056	1.9
715.32080	37.2
728.14606	1.7
775.38574	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	32.0
60.15492	2.0
61.21343	1.7
67.05493	7.7
69.07043	3.9
71.19174	2.2
79.05480	6.0
81.03415	3.1
81.07043	5.0
84.96033	7.1
91.05467	4.6
93.07004	4.3
95.04948	2.0
95.08607	3.6
97.10139	1.7
98.97577	84.1
105.07036	5.6
105.40807	1.8
107.08611	3.8
109.10133	3.7
110.97568	21.0
112.99120	19.3
116.98625	34.1
119.08541	2.6
124.99110	3.7
127.64994	1.9
128.98587	25.9
129.07086	2.0
131.00157	38.0
133.10135	2.5
134.99593	9.8
140.98618	5.6
143.00145	15.9
146.99631	12.2
149.01221	40.1
152.98567	2.1
155.00166	2.0
157.01682	2.2
158.99643	39.9
161.01227	13.6
167.02237	8.9
170.99638	40.7
173.01219	9.2
177.00694	35.7
185.01256	9.1
189.00711	38.6
191.02209	9.4
194.99600	3.1
195.01779	2.9
199.02844	5.8
200.02362	3.2
201.00700	12.5
203.02284	9.8
207.01859	3.1
209.01256	2.7
213.00694	5.0
215.02280	3.9
217.03824	6.1
219.01743	22.7
227.02286	3.8
231.01772	5.9
233.03255	4.0
237.02779	13.7
261.02838	22.6
275.04300	12.3
279.03867	26.8
291.03769	5.0
293.05447	40.9
294.05640	2.2
297.04907	7.3
302.05469	2.6
309.04861	5.3
311.06424	13.8
316.07132	2.2
317.17923	27.9
321.04916	100.0
322.05402	3.7
334.08002	2.2
335.18912	7.8
339.05963	9.4
362.07550	6.1
381.06839	9.8
437.09702	25.5
455.10712	52.0
456.11276	2.3
485.67566	2.1
539.25012	8.3
553.26758	5.9
560.36688	2.7
577.99402	2.1
715.32019	51.9
716.31934	6.0
775.40765	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	775.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02993	2.5
55.05494	1.3
57.03407	0.5
67.05489	0.8
69.03428	0.9
72.08152	25.3
75.09129	0.6
79.05481	1.6
81.03408	2.0
81.07048	1.3
85.02877	1.6
87.00797	0.6
89.03909	0.9
95.04953	0.9
97.02901	0.7
97.07653	14.1
103.92458	0.6
105.01799	0.6
107.04946	0.5
109.02843	1.1
109.06509	0.7
114.10285	27.1
117.03402	1.1
124.05200	1.5
127.03867	1.8
135.04422	2.4
139.07523	2.8
145.02814	2.3
147.04362	1.0
152.04649	3.2
154.06186	1.0
163.03900	25.3
164.04208	0.6
167.07005	2.6
169.08562	0.9
181.04915	1.6
185.08069	1.2
195.06517	75.6
196.06892	1.7
198.96507	0.5
219.20041	0.5
236.66588	0.5
269.05276	0.5
305.50690	0.5
309.14340	0.7
325.09171	2.7
326.17081	100.0
327.17422	2.7
411.09329	0.9
559.57050	0.6
731.17566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.03432	1.3
58.15777	0.5
61.02930	3.2
67.05513	4.0
69.03440	2.7
69.07056	2.9
71.04989	0.7
71.47165	0.6
73.02907	3.3
79.05492	4.9
81.03419	1.7
81.07061	4.2
83.04994	0.8
83.08643	0.9
85.02912	4.0
91.03960	1.1
91.05471	4.4
93.07042	4.9
95.04983	2.2
95.08613	2.5
97.02905	3.4
97.63119	0.6
101.02412	1.3
105.04588	0.6
105.07047	3.6
107.08556	1.3
109.02902	0.6
117.07030	0.7
119.08604	2.0
121.10155	1.0
127.03932	1.1
129.07010	1.1
131.08607	0.8
133.10146	1.1
144.97557	0.7
145.10130	1.1
147.11688	1.5
153.22064	0.6
171.11714	0.9
199.14917	0.5
201.00043	0.5
243.06355	0.6
243.08344	3.1
247.13063	0.9
333.20395	1.1
359.44437	0.6
363.22192	0.6
388.49258	0.5
389.23450	0.9
457.20679	0.6
465.20868	7.4
551.28540	3.6
775.42297	100.0
776.42676	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	776.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.05513	4.2
57.03436	7.4
57.07074	3.9
59.04998	2.0
61.02927	11.8
63.88070	1.4
65.82668	1.5
67.05505	19.7
68.76485	1.3
68.99784	4.0
69.03429	34.9
69.07079	8.3
70.06581	6.2
71.04993	11.1
71.43613	1.5
72.08176	1.5
73.02926	7.4
79.05482	5.7
81.03417	31.8
81.07056	69.1
83.08612	1.8
84.08154	1.5
85.02905	100.0
85.06536	18.7
86.03237	2.0
86.09713	2.7
87.00831	36.8
87.04467	2.6
89.34830	1.5
91.03933	4.3
91.05476	1.9
93.07048	9.5
95.04951	10.0
95.08603	14.2
97.02894	62.4
97.10175	4.6
98.03202	2.1
99.04447	11.5
99.08105	2.0
101.02407	1.6
105.01867	48.4
105.07037	3.4
107.08608	4.2
109.02876	52.7
109.06507	2.8
109.10159	30.2
111.04494	2.9
111.08109	2.9
117.01838	1.4
121.10131	4.4
123.11707	66.3
125.09623	3.0
127.03913	78.5
127.11184	33.2
129.01874	4.6
133.10126	5.4
145.02849	2.3
145.04942	23.6
147.02864	4.4
147.04239	1.7
147.06480	1.5
151.11174	15.7
159.02892	6.3
163.03925	6.4
163.06010	4.0
167.06941	1.5
169.09976	2.6
169.12239	63.1
177.05493	2.8
181.04933	6.8
187.13292	47.2
213.03925	11.8
214.74373	1.5
224.15625	1.7
231.04994	26.2
249.06017	13.1
253.07080	3.3
259.13004	1.6
271.08105	2.1
277.14246	5.6
303.04871	8.9
304.05359	12.6
305.05472	6.8
306.05804	3.7
313.16315	3.9
321.61307	1.9
321.69736	1.8
331.17520	16.9
357.08063	2.7
375.09225	4.4
381.15372	6.6
393.10336	6.0
399.16492	26.5
417.17542	57.0
418.17908	3.1
474.60535	1.6
555.80145	1.8
651.07306	1.6
717.87054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
55.05510	49.4
57.03435	19.0
57.07075	2.5
59.04996	3.1
61.02915	4.4
65.03929	3.2
67.05502	100.0
68.05831	1.7
69.03421	4.8
69.07064	18.0
69.80251	4.5
70.40162	1.1
71.01328	1.2
71.04982	5.3
73.02912	2.3
77.03897	1.3
77.09604	1.1
79.05488	54.4
79.05953	2.8
80.05806	1.5
81.03415	6.4
81.07054	58.0
82.07374	1.7
83.04977	7.6
83.08624	15.4
85.02901	16.2
85.06550	2.9
87.04462	6.0
91.05478	31.3
93.06446	2.4
93.07039	44.3
95.04974	8.7
95.08599	42.4
97.02886	5.8
97.06535	4.9
97.10165	20.7
99.08071	1.9
105.04520	3.1
105.07021	16.2
107.04959	2.9
107.08592	28.3
109.06509	3.2
109.10152	46.6
111.08109	3.1
116.15791	1.6
117.07001	7.0
119.08591	15.5
121.06525	2.1
121.10134	20.8
123.08070	2.7
123.11684	5.9
125.09616	19.2
129.07013	2.5
131.08548	11.2
133.10147	9.8
135.08031	1.7
135.11697	14.1
137.09613	1.7
143.10680	4.4
145.10126	11.2
147.11659	7.3
149.09604	2.0
149.13232	6.4
151.11229	1.8
155.10719	2.7
157.10112	2.6
159.11710	5.2
160.12053	1.5
161.13264	4.5
163.11188	5.1
163.14816	2.2
171.11745	1.5
173.11725	13.7
173.13266	6.1
175.14931	2.0
187.14835	2.0
189.11188	2.1
193.12259	2.4
199.13278	6.7
209.11678	4.2
227.12837	6.3
229.14323	37.9
243.20981	4.1
261.22119	15.7
265.14258	1.7
267.15833	4.2
277.21582	1.6
285.16895	1.4
300.15414	1.7
301.16458	17.8
317.24750	2.3
333.24197	1.8
335.25772	73.5
336.26193	5.0
477.35596	10.1
489.35886	10.5
543.36664	3.6
561.37610	9.3
579.37982	3.1
670.42798	1.6
776.40332	8.9
777.41211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05510	40.2
57.03438	15.2
57.07077	1.8
59.04994	2.9
61.02919	2.8
65.03936	3.7
67.05502	100.0
69.03419	3.5
69.07065	16.6
70.67610	2.1
71.01357	1.6
71.04973	3.6
73.02914	2.7
79.05489	42.4
80.05822	1.5
81.03417	5.0
81.07053	55.6
82.07402	1.2
83.04988	6.0
83.08611	14.6
85.02895	14.1
85.06547	2.2
87.04460	6.2
91.03957	1.7
91.05479	24.6
93.06446	2.1
93.07045	44.2
93.97701	1.0
95.04958	7.2
95.08602	38.2
95.09216	1.9
97.02887	4.1
97.06522	5.7
97.10173	19.9
99.04456	1.0
99.08095	1.4
103.01070	0.9
103.03941	2.2
105.04512	1.5
105.07029	17.6
107.04932	1.8
107.08593	25.1
109.06520	3.2
109.10151	51.7
111.08078	4.1
117.07036	6.1
119.08575	12.7
121.10143	19.4
123.08094	2.3
123.11703	4.5
125.09628	19.9
129.07014	1.7
131.04910	1.3
131.08559	12.7
133.10110	10.5
135.11671	11.2
137.09625	3.7
137.13228	1.1
139.11182	1.9
143.08589	1.6
143.10667	3.2
145.10114	9.0
147.08043	1.2
147.11696	7.7
149.09633	2.0
149.13261	5.1
153.12617	1.7
155.08603	1.1
155.10652	3.1
157.10114	2.3
159.11647	5.8
161.13258	4.0
163.11162	3.8
163.14803	2.0
171.11710	2.3
173.09631	0.9
173.11736	12.9
173.13254	4.4
175.11110	1.0
175.14774	1.3
177.12674	1.2
179.10271	0.9
181.12215	1.3
182.92712	0.9
185.13429	1.2
187.14783	2.3
189.11269	1.6
191.10620	1.3
193.12224	1.9
199.13293	10.7
201.16437	1.3
209.11720	3.2
217.14400	2.3
223.28703	1.0
227.12802	4.5
229.14336	39.7
240.84430	1.1
243.21068	3.6
245.13913	2.1
257.14017	1.1
259.20651	1.2
261.22113	13.2
267.15933	3.0
271.39966	1.0
295.52115	1.1
301.16406	14.4
317.24713	1.6
333.24329	1.9
335.25778	66.0
336.26190	2.3
363.25372	2.1
451.31982	1.1
477.35709	6.0
489.35696	12.5
543.36737	2.7
561.37854	8.9
579.38263	1.5
776.43182	1.2
777.40814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
56.04330	0.8
57.07074	35.7
62.93020	0.8
63.06977	0.7
69.07076	4.4
71.04961	0.7
71.08631	29.8
73.02895	1.1
73.06551	10.7
73.84214	0.8
76.01229	0.7
83.04984	1.0
83.08636	1.9
85.10183	17.1
85.10693	1.0
85.57226	0.7
87.04466	11.8
89.06028	100.0
97.10177	3.4
99.11752	3.2
107.07064	2.8
109.10022	0.9
109.30383	0.7
111.11731	3.1
113.13291	2.6
117.09124	8.7
130.08604	1.2
131.07056	3.1
131.21913	0.8
133.08600	46.2
135.10107	1.3
155.18701	0.8
161.11749	2.3
169.19550	3.0
169.29791	0.9
175.09688	1.7
177.02780	0.7
177.11212	18.6
199.63658	0.8
213.22145	2.3
221.13866	3.2
239.14970	1.1
257.24747	6.2
283.17572	2.2
301.27322	3.5
309.19141	1.0
326.38535	0.8
383.55072	0.8
415.25604	1.0
545.68170	0.8
759.54718	1.1
776.56018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51904	0.5
67.05520	0.4
69.03450	0.6
70.06588	1.1
81.07099	0.4
85.02934	0.6
87.83687	0.4
93.33318	0.4
111.20306	0.4
111.21212	0.4
127.03934	0.4
134.05962	0.5
140.07114	0.6
144.38359	0.4
150.81441	0.5
163.03893	0.6
164.04021	0.5
167.06947	0.6
172.96931	0.4
177.05502	1.2
181.05017	0.6
192.06519	0.4
195.06645	0.4
235.08696	1.6
236.09450	0.7
237.10138	2.3
238.10895	0.6
249.10196	7.6
250.10989	3.2
251.08163	1.9
251.11757	5.5
252.12517	0.8
253.09528	0.5
254.10641	0.6
261.10187	1.0
262.11145	0.6
263.08121	1.2
263.11823	1.4
264.08926	2.3
265.09744	9.2
265.13351	1.6
268.12076	0.6
277.09741	4.4
278.10464	8.1
279.07672	11.5
279.11264	12.4
280.07901	0.5
280.12042	1.7
281.12866	1.1
282.10074	0.5
292.08527	1.0
293.09256	3.5
293.12854	15.0
294.13504	0.6
295.10855	0.9
295.14349	0.7
296.11591	1.2
297.12262	0.7
302.46793	0.5
305.09204	2.1
306.09924	2.1
307.10742	5.0
307.13879	0.6
308.11478	0.6
309.12332	2.7
309.15436	0.5
310.09537	1.0
311.10278	7.6
311.13876	1.6
312.11026	0.4
313.12366	0.5
319.11194	0.5
321.12305	3.0
322.13135	1.9
323.10205	1.1
323.13885	1.0
324.11139	1.4
325.11694	3.9
325.15186	0.5
326.12628	2.3
326.16833	0.5
327.13663	0.6
333.08676	2.9
338.12561	1.3
339.13382	34.4
340.13898	1.6
341.11667	1.1
342.12289	1.1
343.13049	0.6
345.37396	0.4
349.11945	0.7
351.09692	3.1
352.10590	1.6
353.15106	4.2
354.12268	1.1
355.13159	1.1
356.13861	1.6
366.12036	1.2
367.12903	5.8
368.13797	1.4
369.14545	1.9
370.15674	1.4
371.16095	0.7
380.14166	1.2
383.12299	0.9
384.13010	1.6
384.17227	1.1
385.13910	0.6
396.13528	0.8
397.14294	0.9
398.14838	3.4
399.15503	32.3
400.15933	1.7
401.13708	1.7
414.14380	0.5
427.11316	0.7
428.16043	0.6
429.17175	0.6
430.17542	1.3
438.14673	0.7
441.12756	4.4
442.13202	2.0
444.18753	0.5
455.14447	10.5
456.15372	1.3
467.10880	1.4
468.11398	0.7
474.16666	0.5
482.13153	2.4
483.13956	5.1
485.15494	1.8
485.66351	0.5
489.19049	2.3
514.15540	2.3
515.16565	100.0
516.17096	5.0
538.21808	0.5
573.17828	2.6
574.18091	1.0
604.19067	2.1
605.19983	13.1
606.20673	4.3
654.22864	27.7
655.23492	7.9
656.23584	0.6
695.23346	0.7
700.87018	0.4
713.24475	2.1
745.27130	4.5
776.99249	0.5
777.38812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93523	17.1
70.95863	3.4
72.93789	8.7
73.94572	3.2
79.05499	10.2
81.03417	6.1
85.02901	4.9
90.94831	10.9
91.05476	4.8
95.04966	8.4
97.02901	4.6
107.04953	5.3
108.05745	8.1
118.69876	2.4
119.04947	8.4
129.97142	3.3
131.95068	5.3
132.95834	5.2
134.97520	2.8
135.04382	5.4
136.05231	5.8
137.05984	6.9
140.96408	6.8
141.97183	3.4
142.94286	3.3
144.95828	9.3
147.04425	10.4
148.05217	3.2
149.96094	7.3
157.96587	5.8
158.97386	100.0
159.98145	5.3
160.95363	7.2
162.96916	7.9
163.03745	2.7
165.05469	40.5
165.97124	2.8
165.99232	3.9
166.12338	2.6
167.98706	4.2
168.95815	4.7
170.97397	2.7
175.97661	63.0
175.99115	4.2
176.98445	70.1
185.96027	2.5
186.96768	3.7
195.98151	4.4
196.98981	5.4
199.97620	20.6
200.98442	8.8
201.99251	5.3
203.97214	10.3
208.98958	5.3
209.99709	6.3
210.96890	22.3
211.97716	5.9
212.98454	6.2
213.99237	3.8
216.97882	4.3
217.98727	6.0
224.98567	7.6
225.99092	16.6
233.36670	2.5
233.98032	5.8
234.98940	14.2
236.98528	7.6
237.02379	3.2
237.99261	7.5
241.98769	8.3
242.99570	8.8
244.00313	3.8
247.00682	2.8
248.01285	19.6
251.00044	3.6
253.98650	19.7
254.99556	7.0
261.00641	9.7
264.07556	3.5
264.97888	5.5
265.01624	4.5
274.99936	6.6
276.00781	11.3
278.99509	4.6
293.01068	5.9
294.01804	15.6
302.00815	63.4
304.00308	51.8
305.00861	3.3
322.01309	19.4
340.99524	4.0
341.03177	3.9
345.10541	3.9
381.02463	17.3
398.03189	4.4
399.03476	3.1
417.04675	6.8
612.46729	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	778.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03418	0.5
57.50764	0.4
61.02937	0.4
63.19969	0.4
65.03932	1.5
67.05494	0.8
69.03186	0.3
69.03428	3.4
70.06577	0.6
70.48822	0.9
73.02911	0.6
79.05499	2.0
81.03406	2.8
82.04169	0.4
85.02895	4.9
86.09682	0.5
87.00814	1.2
91.05438	0.4
93.07036	0.7
94.06569	0.5
95.04961	1.8
97.02905	3.0
98.23389	0.5
99.04451	1.4
105.01852	0.8
105.04508	0.4
106.06546	13.1
106.36934	0.4
108.08070	0.8
109.02883	2.1
116.04197	0.4
121.10163	0.7
123.06805	1.4
124.07592	1.2
127.03908	3.2
134.06004	10.3
135.06766	0.8
136.07549	2.4
137.05968	0.7
138.03104	0.4
138.05482	0.5
147.04405	0.6
148.07512	0.5
150.05545	0.5
152.07060	5.2
153.05420	0.7
159.02933	0.8
163.03873	0.9
167.19595	0.4
168.08080	1.1
171.06535	1.4
177.05479	0.9
181.04955	14.8
184.07533	0.7
185.08359	0.8
187.05977	0.8
196.07576	3.2
197.08345	1.1
198.09135	1.2
200.07130	1.0
212.06996	2.0
213.07814	3.0
214.08633	1.2
215.09361	0.8
219.32863	0.4
224.07100	0.9
226.08606	1.8
227.09233	0.5
228.06569	1.0
228.10130	5.0
230.08070	0.7
231.04984	0.7
240.06551	1.2
241.07327	1.6
242.08138	3.9
243.08868	1.7
244.06122	0.5
244.09645	1.2
245.06822	1.0
246.07648	0.9
253.07330	0.8
254.08160	1.6
255.08945	1.5
256.05942	0.9
256.09729	5.9
257.06830	1.8
258.07593	5.5
260.09192	7.1
268.06100	0.5
269.06680	2.0
270.07620	3.8
271.08408	2.6
272.05804	1.0
272.09119	6.6
273.06311	3.9
273.09900	2.4
274.07016	2.3
282.07617	0.7
284.05731	0.9
285.06479	0.9
286.07104	5.3
286.10364	0.8
287.04758	0.7
287.07834	2.4
287.10828	0.7
288.08658	22.3
288.12256	5.2
289.09088	1.2
299.07828	4.6
300.08701	2.9
301.09247	2.2
302.06522	4.7
302.10187	2.7
317.08908	9.7
332.11261	100.0
333.11526	3.9
338.12222	0.5
350.12436	0.7
364.10278	1.7
382.11313	3.2
400.12567	0.5
469.05820	0.5
494.16626	1.1
530.16803	2.4
536.17523	2.8
580.16577	22.0
581.16766	1.6
778.21613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.5
57.74668	3.1
67.05499	3.5
69.03424	8.2
81.03418	4.2
81.07017	3.1
84.51618	3.0
85.02894	11.1
87.00828	8.1
90.72974	3.0
91.05481	4.5
93.07059	6.0
95.04978	3.9
95.08620	16.2
97.02893	6.6
99.04477	3.5
105.07043	9.0
106.38483	2.8
107.08604	10.0
109.10133	5.1
119.08592	11.0
121.06521	5.2
121.10140	5.4
123.08110	4.0
127.03905	6.2
133.06580	3.6
137.09660	4.2
145.06517	4.5
145.10080	3.9
147.08005	3.9
147.11687	18.9
157.10170	4.1
163.04005	3.2
165.12761	9.6
173.09657	14.5
175.11169	23.8
185.09674	15.5
187.11209	3.8
191.10678	3.8
193.12276	23.1
199.11143	7.4
211.11169	7.6
213.12695	7.4
223.11299	4.4
225.12782	6.4
227.14273	5.7
239.14340	6.7
240.08653	2.9
249.12965	3.8
251.14316	3.8
255.13899	6.4
257.15329	4.3
343.20050	3.1
365.21042	30.6
419.25610	3.9
431.25824	9.2
449.26685	18.0
477.26236	4.1
495.27365	94.5
496.27426	5.7
513.28497	100.0
514.28729	5.5
779.24054	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	778.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.05518	1.7
56.29893	1.7
56.45985	1.6
57.03434	6.6
65.03938	2.5
67.05503	2.9
68.99806	1.9
69.03431	5.8
70.06578	4.4
71.04996	3.6
71.44310	1.7
73.02899	1.8
77.98102	1.5
78.89981	1.8
79.05467	3.0
81.03413	6.0
81.07059	3.9
85.02907	6.0
87.00822	2.8
91.05489	4.5
93.03412	4.7
93.07020	6.5
95.04964	4.6
95.08575	3.6
97.02895	3.8
97.06532	3.6
99.04463	8.8
105.01869	2.8
105.07011	2.8
107.08643	4.0
109.02888	6.6
109.10151	4.7
111.04448	4.2
117.03402	3.6
119.08566	5.6
121.06538	2.7
121.10161	6.8
123.04417	1.8
123.08080	3.0
123.11729	1.8
125.06010	5.5
127.03922	6.6
129.07005	3.3
131.08571	2.7
133.06520	2.1
133.10135	5.4
135.08043	5.5
137.02371	1.8
137.05968	5.0
137.09535	2.1
143.07048	2.7
143.08562	2.4
145.02824	7.3
145.10106	2.8
147.11690	2.4
149.09630	6.4
149.13312	2.7
151.07581	2.7
151.11172	6.1
155.08508	2.0
157.10132	5.5
159.08070	2.2
159.11649	3.0
161.09639	14.9
162.09036	1.7
164.06743	1.7
167.07034	40.4
171.06490	3.3
171.11655	6.2
173.09624	5.2
173.13286	3.1
175.11201	5.6
177.05487	14.6
177.12762	2.5
179.08466	1.6
179.10678	5.0
181.10092	2.0
185.13268	4.8
187.11237	2.3
187.14749	2.1
189.09077	3.4
189.12738	9.8
191.14316	7.8
193.08592	3.7
193.15956	2.3
195.11713	2.7
197.08086	2.5
197.13289	2.2
199.11147	2.8
199.14833	1.9
203.14279	2.9
207.13824	3.4
213.12804	4.4
215.10699	5.1
217.12323	5.1
219.13779	6.0
225.12807	3.4
227.14217	5.0
229.15886	2.7
231.13805	5.0
235.13213	2.5
239.14433	2.9
243.13791	3.9
253.14262	4.5
257.15338	2.6
261.11115	1.9
261.14822	2.1
267.13733	3.1
271.13220	2.6
273.14865	3.1
275.16513	1.8
279.11990	1.8
281.15381	4.1
281.85104	1.7
289.14517	1.9
297.18573	3.7
299.16483	5.0
303.15820	2.9
309.14899	2.1
315.19583	5.0
317.17419	18.4
327.15833	4.7
335.18521	24.4
345.16965	19.7
363.17975	100.0
364.18216	5.9
381.19095	30.3
398.21695	78.2
399.21918	3.8
487.17194	1.9
609.22363	2.9
778.40033	2.6
787.61688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
61.02923	0.8
68.66664	0.5
69.03421	0.9
69.34735	0.4
71.04991	1.5
73.02918	2.8
74.03245	0.5
83.04977	1.1
85.02898	2.6
86.03214	0.6
91.05453	0.6
97.02904	1.2
98.03169	0.5
98.23508	0.9
103.93306	0.4
117.03371	0.9
117.73207	0.4
119.04980	0.6
135.04430	1.4
136.04735	0.6
137.04961	0.5
137.05965	1.0
145.02896	1.8
146.03166	0.6
147.03456	0.4
147.06519	0.6
161.07063	0.6
163.03886	15.4
164.04231	9.7
165.04443	5.2
166.04686	2.1
179.08211	2.6
199.52249	0.5
221.02979	1.2
301.08954	6.5
308.12521	0.5
319.10065	1.1
321.09616	1.4
325.09082	1.0
326.09637	1.4
327.09711	2.3
328.10190	1.3
329.10071	1.0
344.47006	0.4
383.78665	0.4
467.15555	0.5
501.13611	7.0
519.13617	1.3
599.19202	0.7
647.19800	2.8
740.33453	0.5
779.23553	100.0
780.23938	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	779.349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.9
69.03392	1.7
69.92986	1.8
69.93322	1.7
85.02898	1.5
94.06567	5.8
95.25356	1.0
98.23410	1.3
120.08090	1.6
122.06018	13.9
124.67681	1.1
134.05962	2.4
136.07558	9.4
137.30823	1.0
138.09140	1.8
146.06015	1.9
150.09265	1.3
156.74857	1.0
164.07053	7.3
166.08603	5.5
209.10609	1.1
211.08499	1.4
213.10229	1.2
222.11502	2.1
223.08646	4.5
223.12202	2.0
224.13022	1.4
225.10170	14.5
225.13673	1.4
227.11742	1.5
234.09084	1.0
235.08580	2.8
235.12306	2.5
236.09412	3.7
236.12842	1.2
237.10143	6.6
237.13705	4.9
238.10977	5.5
239.11781	6.8
240.12239	1.0
247.12270	1.6
248.09384	1.9
249.10109	9.7
250.10941	14.0
251.08224	8.0
251.11761	29.4
251.14243	2.0
252.12488	7.4
253.13295	3.2
255.14948	1.2
262.10916	2.0
263.11734	23.1
264.09518	2.1
264.12497	12.5
265.09741	8.6
265.13327	42.7
265.16132	2.4
266.10416	2.9
266.13971	4.4
267.11465	2.0
267.14963	6.0
269.12778	2.1
275.11810	1.9
277.09659	4.7
277.13004	1.8
278.10425	5.4
279.11279	14.3
280.12061	1.8
281.09430	1.0
281.12936	5.3
283.10809	9.9
291.11389	5.9
291.14310	1.2
292.11963	1.7
293.09512	1.5
293.12778	16.3
294.13647	4.4
295.10757	4.6
295.14407	3.4
296.11459	8.2
297.12302	8.4
298.12988	2.9
309.12286	40.4
310.12970	6.2
311.13867	56.5
312.14087	2.0
319.10846	5.1
320.11346	2.1
321.12317	6.3
323.10187	1.3
324.11017	3.5
325.11713	2.6
337.08154	1.1
337.11792	28.4
338.12497	14.4
339.13367	38.1
340.13638	2.2
344.13873	1.7
353.14981	1.6
356.13843	1.9
357.14435	4.8
369.14413	65.4
370.15192	6.5
371.15979	93.8
372.16531	4.1
386.18521	2.3
414.18118	4.3
416.19699	15.5
432.19110	17.4
442.17816	6.4
446.20520	3.8
460.18646	80.2
461.19025	4.0
462.20483	1.5
464.21747	28.2
465.22061	1.6
474.20016	1.3
482.05643	1.3
492.21228	100.0
493.21173	6.5
494.22980	1.3
513.19055	1.3
541.27997	1.9
567.26398	5.0
585.27032	70.9
586.27148	4.9
617.29437	5.8
622.23950	1.4
636.25439	5.2
654.25977	2.8
779.41797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05512	1.8
55.54224	0.5
57.03435	1.8
61.02936	4.5
62.81245	0.5
67.05497	3.7
69.03433	3.7
69.07070	3.2
69.91548	1.5
73.02920	3.2
76.92680	0.5
79.05496	4.4
81.03027	0.5
81.03418	3.3
81.07057	4.2
83.04983	1.2
83.08627	1.6
85.02901	6.2
91.03992	2.1
91.05475	3.3
93.07050	2.9
95.04980	1.9
95.08636	1.1
97.02895	3.5
97.06546	0.7
97.10161	0.6
99.04495	0.8
101.02396	1.9
105.07048	2.7
107.08614	1.4
109.02879	0.8
109.06484	0.5
109.10172	1.0
111.08108	0.7
112.27389	0.5
117.07020	0.7
119.08568	1.3
121.10178	1.1
123.08098	0.8
125.09690	0.7
127.03905	1.1
129.07027	0.9
131.08574	0.9
133.10147	1.3
145.10168	0.7
147.11766	1.2
157.10178	0.7
165.32246	0.5
171.26497	0.4
184.07358	0.7
185.04269	0.9
188.00308	0.6
193.12323	0.9
211.13219	0.6
243.08418	3.0
251.12434	1.1
292.92123	0.5
333.20618	2.0
453.21185	1.5
469.13382	0.8
469.20367	8.1
469.26544	0.8
485.78226	0.6
551.28308	4.2
681.33789	0.7
779.41791	100.0
780.28662	0.6
780.41968	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	779.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05510	1.7
57.03441	1.6
61.02922	5.3
67.05495	5.7
69.03435	2.9
69.07056	1.1
70.06604	0.9
73.02915	4.7
76.42496	0.6
79.05497	4.3
81.03430	1.7
81.07041	4.4
83.08624	0.9
84.63107	0.7
85.02896	5.7
87.04487	0.6
91.03965	2.7
91.05499	2.9
93.07065	3.0
95.08611	3.1
97.02892	3.9
98.22679	1.1
99.04495	0.9
100.52839	0.6
101.02402	1.9
105.07055	2.5
107.08619	2.2
109.10158	3.2
117.07050	0.9
119.08584	1.3
121.10163	1.9
125.00020	0.9
127.03911	1.0
133.10126	3.5
135.11702	1.2
143.08578	0.7
145.10202	1.0
151.11218	2.2
161.09698	0.8
184.07404	1.7
206.24200	0.8
243.08380	1.9
283.11609	1.5
335.25803	0.9
411.19998	1.5
455.18845	6.7
476.27808	0.7
501.19241	3.6
519.29071	4.2
580.63043	0.7
614.42261	0.7
689.42651	1.5
723.69476	0.9
733.41315	1.5
779.41620	100.0
780.41943	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	779.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05516	1.4
57.03440	2.1
61.02930	6.0
67.05505	5.5
69.03423	2.7
69.07086	1.4
69.18663	3.2
70.06599	0.9
71.04996	0.7
73.02913	4.2
79.05489	3.8
81.03423	1.9
81.07051	4.6
83.04968	0.6
83.08628	0.6
85.02904	6.2
85.03409	0.6
91.03957	3.6
91.05477	2.7
93.07037	3.5
95.08598	3.5
95.41209	0.4
97.02899	5.3
97.10147	0.6
99.04497	0.8
99.87693	0.4
101.02367	2.1
103.03947	0.5
103.62560	0.5
105.07079	1.2
107.08583	2.2
109.02903	1.0
109.06466	0.5
109.10128	2.3
114.92256	0.4
115.03951	0.6
117.06998	0.4
119.08559	1.1
121.10170	1.7
123.11697	0.5
125.00076	0.4
127.03963	1.2
129.88780	0.4
131.08525	0.8
133.10123	2.8
135.11751	1.1
145.04999	0.4
145.10226	0.5
147.11708	0.7
151.11203	0.8
161.09660	0.6
161.13316	0.6
173.13278	0.8
184.07361	1.1
185.04291	0.7
190.75002	0.4
203.05159	0.5
216.38223	0.4
237.11008	0.9
243.08417	2.0
283.11572	2.0
335.25888	0.8
405.08099	0.4
411.19925	0.8
455.19061	2.1
501.19498	1.1
519.29144	8.3
689.42371	1.4
724.49103	0.5
733.41736	2.1
779.41571	100.0
780.41931	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	779.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18132	8.8
101.84263	1.4
108.87169	1.4
110.16827	1.3
134.77461	1.3
138.22543	1.5
184.07306	3.4
372.21378	1.4
449.36191	1.6
779.43378	100.0
780.43933	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91757	0.3
55.01870	0.4
55.05517	1.3
57.03434	1.6
58.81220	0.3
59.04998	0.5
60.07338	0.3
61.02926	5.6
61.24980	0.3
67.05501	5.2
67.62319	0.3
69.03422	2.7
69.07079	1.0
71.01334	0.5
71.05010	1.1
73.02911	3.1
79.05485	3.8
81.03410	2.8
81.07059	4.8
83.04992	0.7
83.08626	0.5
85.02902	4.3
85.06537	0.4
87.04478	0.8
91.03960	2.9
91.05470	2.8
93.07041	4.8
95.04971	1.0
95.08595	3.1
97.02893	4.7
97.06548	0.5
99.04483	0.6
101.02409	1.4
103.03957	0.4
104.93472	0.3
105.04502	0.3
105.07027	1.8
107.08594	1.8
109.02899	1.1
109.06517	0.5
109.10169	1.5
115.03940	0.7
119.08613	1.2
121.10139	2.4
123.11735	0.5
127.03960	1.0
131.08601	1.4
133.10155	1.0
135.11720	0.8
136.06247	0.4
145.10149	0.7
147.11746	0.7
149.09650	1.3
157.10162	0.8
159.11618	0.4
184.07423	1.2
185.04271	0.3
193.12263	0.6
225.14944	0.4
243.08278	2.1
267.16003	0.4
283.15140	5.0
339.17737	0.6
348.26160	0.4
501.23126	7.1
519.29291	7.1
626.34576	0.4
779.45465	100.0
780.45813	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
57.03439	1.6
61.02935	6.2
65.03928	0.5
67.05509	5.0
67.57475	0.4
69.03423	2.9
69.07076	1.3
69.17365	3.0
70.06596	7.8
71.01367	0.6
71.04993	3.3
71.06957	0.7
73.02934	3.7
79.05502	4.0
79.18046	0.4
81.03438	1.4
81.07058	4.7
83.04993	0.7
83.08652	1.1
85.02917	3.8
85.06577	0.8
86.09748	0.9
91.03979	2.8
91.05486	4.1
93.07050	4.5
94.07395	0.6
95.04979	0.6
95.08621	2.0
97.02893	4.4
97.06561	0.5
99.04441	0.7
101.02425	1.3
103.03932	0.5
105.07033	3.0
107.08586	2.7
109.02917	0.8
109.10165	1.1
115.03951	0.6
117.07062	1.1
117.10799	0.5
119.08630	1.9
121.10155	1.0
123.11715	1.0
125.00052	0.9
127.03966	1.2
129.05530	0.4
131.08578	1.4
133.10114	3.0
135.11694	0.7
145.05049	0.6
147.11700	0.8
149.13187	0.8
151.11237	1.0
159.11748	1.1
184.07362	2.7
185.04333	0.8
185.13181	0.5
187.13382	0.6
213.13214	0.5
243.08429	3.1
257.17612	0.9
259.20844	0.7
267.15851	1.9
301.09146	1.2
313.09076	0.5
315.10861	0.6
359.44431	0.5
373.11047	0.8
453.21182	0.9
465.21475	0.4
485.23547	10.2
535.28784	5.7
557.25653	1.1
779.45575	100.0
780.45874	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	781.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05502	0.7
57.03433	3.1
61.02925	1.5
62.52491	0.2
63.88907	0.3
69.03061	0.3
69.03426	4.4
71.01349	1.0
71.04990	5.1
73.02912	11.8
75.04474	0.6
79.05486	0.3
81.03416	1.2
83.04981	3.1
85.02900	11.7
87.04466	0.5
89.03902	1.6
94.64725	0.2
95.04946	0.8
97.02885	5.7
99.04469	0.5
103.03928	0.4
104.05048	0.2
106.06555	2.3
107.04932	0.5
109.02863	0.7
111.04433	2.2
113.05988	0.3
115.03925	2.7
116.04959	0.3
117.03352	1.6
123.04353	0.4
127.03907	0.6
129.05461	2.6
132.04469	0.3
132.06845	0.4
133.04939	1.7
133.07588	0.9
134.05992	1.2
135.04404	4.1
139.03906	0.5
143.03357	0.2
145.02837	3.4
146.06033	0.2
147.06490	1.5
148.06325	2.7
158.04677	0.3
158.05962	0.3
159.05547	0.5
160.06296	1.6
161.07094	20.9
162.07440	0.3
163.03889	41.7
164.04227	0.7
169.04916	0.3
171.05478	0.9
173.07077	1.2
179.08139	100.0
180.08511	1.8
181.04893	1.2
185.07126	0.5
203.08147	2.5
209.06949	0.3
212.60229	0.2
221.09218	4.6
225.07521	0.9
227.08231	0.5
239.08116	0.5
241.15428	0.3
241.53510	0.3
243.08658	0.5
245.09117	1.2
251.10252	0.6
253.09650	0.4
257.09167	0.6
261.09564	0.3
268.90091	0.3
269.09293	0.4
271.10895	0.4
275.10068	0.2
287.10190	1.1
289.11847	1.7
305.11282	1.9
307.08023	0.7
307.12897	1.2
309.09790	0.3
311.12286	1.1
325.09082	11.4
325.13779	5.1
326.09320	0.5
353.13657	0.6
387.15280	0.2
457.18185	1.2
503.09509	0.3
503.16547	5.1
545.18005	0.3
649.22131	0.6
663.81256	0.3
781.23877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
60.08155	1.7
61.02933	1.6
67.05504	1.5
69.03420	1.7
69.45328	1.1
69.45721	2.1
70.06583	1.8
73.02913	0.9
79.05516	1.8
80.05823	0.7
81.03439	0.8
81.07047	1.4
85.02910	1.3
85.37804	0.7
86.09697	6.7
91.05497	0.8
93.07059	2.0
95.08611	2.1
97.02910	2.0
98.98453	1.1
104.10744	1.1
105.07017	1.0
124.99986	5.3
131.08626	0.8
133.10068	0.8
160.75896	0.9
171.09103	0.6
184.07344	19.4
185.07776	1.0
187.95488	0.9
215.36497	0.7
243.08347	1.0
485.20535	0.9
519.29193	2.0
763.41827	1.7
781.41644	100.0
782.41876	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	781.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58529	0.5
60.08160	1.1
61.02931	1.0
67.05500	1.0
69.03414	1.0
69.15012	0.7
70.62150	0.7
71.07385	0.6
73.32984	0.5
75.27130	0.6
75.40589	0.6
79.05522	0.8
81.07039	1.5
84.93702	0.6
86.09692	4.3
90.55630	0.6
93.07074	0.8
95.08570	0.9
98.98437	0.8
104.10742	1.2
108.41223	0.6
109.10174	0.6
112.25805	0.6
124.99969	3.1
184.07343	11.3
184.08859	0.7
185.07816	0.7
475.20990	0.7
512.24420	0.7
519.30157	0.8
608.26813	0.7
763.41614	0.9
781.41425	100.0
782.41858	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03434	1.7
59.99912	0.6
60.08152	2.7
61.02930	5.8
64.42342	0.6
67.05502	8.5
69.03429	2.9
69.07051	1.0
70.06563	0.6
71.04982	0.9
71.14238	0.6
73.02898	3.0
79.05486	2.1
80.21359	0.7
81.03413	1.7
81.07053	3.9
85.02893	5.2
86.09698	9.8
87.10061	0.7
91.03948	4.3
91.05474	1.6
93.07049	2.5
95.08611	2.6
97.02888	5.4
98.98450	1.0
99.04475	0.9
101.02350	1.5
101.15443	0.6
104.99990	0.6
105.07009	0.9
107.08549	1.1
109.02855	0.7
109.10138	8.0
119.08590	1.4
120.94977	0.6
121.10152	1.2
125.00005	7.3
127.03928	2.0
133.10185	1.0
168.55122	0.6
173.11778	2.2
181.12173	0.7
184.07330	33.3
185.04158	0.8
185.07729	2.0
203.05229	0.9
238.63910	0.7
243.08478	2.9
353.96613	0.6
392.33167	0.7
413.17862	13.0
413.23297	1.1
513.61139	0.7
519.29126	5.3
520.29761	1.1
598.49384	0.7
631.49609	0.7
691.40222	100.0
692.40485	6.6
781.42108	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	781.436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46101	0.5
55.05507	1.3
57.03430	2.3
59.04990	0.6
60.08156	0.7
61.02677	0.6
61.02932	6.4
64.89994	0.6
67.05505	8.8
69.03446	2.7
69.07077	0.8
71.05003	0.8
73.02916	3.6
79.05489	2.3
81.03416	1.2
81.07050	3.9
83.08618	1.1
85.02901	5.3
86.09718	2.1
86.53973	0.5
87.04445	0.6
90.12131	0.5
91.03960	4.0
91.05482	1.8
93.07055	2.1
95.08610	2.2
96.18758	0.5
97.02898	5.5
99.04443	1.2
101.02396	1.3
103.52938	0.6
105.07037	1.1
107.08632	1.6
109.02897	0.9
109.10162	8.2
109.10883	0.6
110.81601	0.5
111.08077	0.7
119.08577	0.8
121.10170	1.1
125.00029	0.8
127.03930	1.1
128.60187	0.5
131.08580	0.7
135.11775	0.7
135.94456	0.6
168.89793	0.5
173.11765	1.5
184.07314	4.2
185.04228	1.2
195.09921	1.3
204.07219	0.6
229.14294	1.2
243.08498	2.3
302.47702	0.5
335.25754	0.6
413.17795	11.4
413.23260	0.7
519.29224	5.8
608.26447	0.7
691.40240	100.0
692.40375	7.5
736.22278	0.6
763.41345	0.6
781.41901	16.9
782.41711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.5
57.03429	2.2
59.04964	0.4
60.08137	0.7
61.02922	5.7
67.05499	8.4
67.11575	0.3
69.03425	3.2
69.07034	0.8
69.60474	1.5
70.06546	0.4
71.04958	0.5
71.48674	0.3
73.02907	3.8
79.05489	2.5
81.03437	1.7
81.07049	4.1
83.04954	0.3
83.08572	0.6
83.85168	0.3
85.02899	6.3
86.09689	2.2
87.10033	0.3
91.03954	3.9
91.05458	1.9
93.07040	3.1
95.04955	0.4
95.08604	2.8
97.02886	4.5
98.98468	0.4
99.04391	0.9
101.02322	1.4
103.03936	0.5
105.07036	0.8
107.08595	1.6
109.02841	0.7
109.10149	5.0
111.08067	0.7
116.02351	0.3
117.06960	0.4
119.08527	1.2
121.10093	1.5
123.11694	0.4
124.99994	1.7
127.03857	1.4
131.08517	0.6
133.10083	0.8
135.11687	0.6
145.04910	0.4
145.10129	0.3
146.35936	0.3
147.11716	0.4
161.79613	0.3
173.11757	1.6
183.06592	0.4
184.07330	8.1
185.04213	0.7
185.07597	0.7
195.09871	1.3
203.05293	0.4
229.14270	1.1
243.08336	2.7
335.25714	0.7
361.73633	0.4
413.17786	6.9
517.16003	0.4
519.29211	7.9
520.29651	0.7
529.35052	0.3
590.97473	0.4
691.40216	100.0
692.40582	9.4
763.42554	0.8
781.41711	27.3
782.41498	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	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.03431	2.0
60.08169	0.7
61.02927	6.3
67.05499	7.1
69.03426	3.0
69.07072	0.8
69.26473	1.3
69.26887	2.1
71.01410	0.7
71.04991	1.0
71.07388	0.9
71.39324	0.5
73.02914	5.4
73.04383	0.6
75.31340	0.5
75.42996	0.5
79.05486	3.1
81.03406	1.4
81.07044	4.0
83.04971	0.6
85.02898	5.9
86.09692	5.1
91.03951	4.7
91.05478	2.4
93.07042	3.3
95.08596	2.8
97.02892	4.9
99.04496	0.9
101.02378	1.2
102.76228	0.5
105.07047	1.2
106.93327	0.5
107.08615	1.5
107.15081	0.6
109.02870	0.7
109.10159	4.8
115.03910	1.0
119.08566	1.6
121.10152	1.4
124.99993	3.6
127.03955	1.9
137.09647	0.5
145.05020	0.8
145.10126	0.9
147.11708	0.6
149.13254	0.8
168.54268	0.6
171.34958	0.6
173.11835	1.0
184.07321	16.1
184.08827	1.1
185.04228	1.1
185.07780	1.0
195.09962	0.8
229.14439	1.4
230.75514	0.6
243.08499	2.5
287.18518	0.6
335.25705	0.8
366.16547	0.6
413.17795	5.1
415.41531	0.7
519.29272	9.3
519.36499	0.9
520.29242	0.8
691.40198	100.0
692.40497	8.3
763.42035	1.3
781.42169	10.1
794.84290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.5
60.05642	1.8
60.08166	5.6
61.01111	0.8
65.37880	0.6
67.05509	0.9
69.09307	3.7
71.07369	4.6
73.02900	2.1
73.04751	3.6
73.06552	1.4
77.00611	6.2
79.02180	0.6
79.05515	0.7
81.07060	0.7
86.09702	33.8
87.04451	1.9
87.10041	0.7
89.06030	11.4
91.05791	7.0
94.84675	0.6
95.01637	23.6
95.85498	0.6
98.98444	4.1
104.10725	2.6
105.07043	0.7
108.34043	0.5
113.02679	1.0
114.07400	0.7
115.07578	0.7
117.07275	0.6
117.09108	1.2
118.03215	1.4
119.01611	1.6
121.03192	2.4
124.99998	24.0
133.08585	4.3
143.01050	0.7
145.06758	4.8
147.04709	25.4
158.96603	0.6
165.05762	4.7
169.03459	1.2
177.11238	1.1
184.07335	100.0
185.07643	1.4
188.07330	0.9
189.09373	2.7
191.07335	8.8
221.08495	0.9
233.12071	0.8
235.09996	4.3
239.09468	7.7
279.12457	0.6
708.37823	0.8
716.14105	0.7
735.36658	0.6
782.44641	1.3
782.56805	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74889	0.8
70.06584	0.4
72.71697	0.2
78.03842	0.2
81.07039	0.3
93.07040	0.2
93.93721	0.2
97.02857	0.3
105.07085	0.2
136.07503	0.3
218.08200	0.2
273.14438	0.3
299.21307	0.2
317.11954	0.2
323.16077	0.6
357.16751	0.4
359.14594	0.4
367.15134	0.4
385.16245	1.9
403.17245	100.0
404.17618	4.8
444.19611	0.4
493.28613	0.2
495.19193	0.2
509.31015	0.2
701.20605	0.2
783.27942	1.9
783.40350	0.3
784.28003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05514	2.2
57.03434	7.9
57.03689	0.6
59.05017	0.9
61.02924	4.6
63.02386	0.4
67.05511	0.9
68.01382	0.4
69.03426	10.4
71.01349	3.3
71.04989	14.8
73.02913	34.3
75.04490	1.4
79.05489	0.8
81.03416	1.9
83.04474	0.6
83.04975	11.6
85.02899	30.7
86.03242	0.4
87.04458	2.1
89.03905	3.2
89.91074	0.3
91.05518	0.5
94.06567	4.2
95.04971	1.1
95.38755	0.3
97.02251	0.7
97.02888	14.8
99.04448	2.1
101.52206	0.3
101.98922	0.3
103.03960	1.3
107.04955	0.5
109.02871	0.9
110.06026	4.4
111.04432	7.6
112.00393	0.4
113.06013	0.5
115.03929	8.6
117.03372	7.6
122.06019	24.9
123.04446	1.1
127.03909	1.6
129.05470	8.8
133.04973	5.2
134.03642	0.6
134.06023	0.5
135.04399	2.3
136.07562	1.2
137.05948	0.7
138.05479	4.5
139.03868	1.7
140.07068	5.2
145.02835	32.8
146.03218	0.5
147.06525	4.8
147.07619	0.7
149.05988	3.7
150.05492	23.0
151.03882	0.8
151.06253	1.3
152.07104	1.6
153.05447	0.8
157.04944	0.5
162.05516	0.4
163.03897	14.2
164.07048	2.8
165.05431	2.3
166.08588	3.4
168.06551	100.0
169.06871	1.6
171.06477	0.8
177.05457	75.0
178.05772	1.6
181.04941	1.0
182.08118	6.1
183.06435	0.4
184.09682	0.4
192.47989	0.3
194.08153	1.7
195.06534	2.8
210.07335	0.3
221.22534	0.3
225.07639	2.2
243.08627	0.9
261.09683	0.7
300.10532	0.5
314.12527	1.9
321.09546	1.5
323.11142	0.5
325.09058	1.9
328.13608	0.8
339.10712	25.7
340.10840	0.9
358.97348	0.4
446.16296	0.5
485.16537	0.4
488.14597	0.4
506.16550	33.2
507.16638	1.4
638.19958	0.7
652.22235	3.9
784.25293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.2
55.05490	2.3
57.03431	7.7
59.04980	0.9
61.02929	5.1
65.03922	0.7
65.69369	0.5
66.36390	0.4
67.05486	0.7
69.03425	9.8
70.06585	0.8
71.01349	3.2
71.04988	13.3
73.02914	37.1
74.15735	0.4
75.04455	0.9
79.05465	2.1
81.03407	3.2
83.04974	9.1
85.02898	27.4
87.04459	2.6
89.03908	3.9
91.05447	1.5
94.06574	1.2
95.04949	1.3
97.02888	16.8
99.04476	3.0
103.03909	0.8
105.04532	0.8
106.06524	1.5
107.04926	3.8
109.02903	0.9
109.06515	1.5
111.04438	4.9
115.03926	9.0
116.20866	0.5
117.03364	5.2
119.04945	1.2
120.66396	0.5
121.05238	0.7
121.06519	0.9
122.06036	5.1
124.07565	0.9
125.05992	0.6
127.03885	2.2
129.05470	6.0
131.03310	0.7
133.04950	4.3
134.03600	0.6
134.05998	5.5
135.04405	10.1
136.07559	3.8
137.05949	4.5
137.33054	0.6
139.03894	0.7
139.07529	1.0
145.02853	9.5
147.06552	3.1
149.05984	2.4
150.05496	27.8
151.06282	8.0
152.07051	11.0
153.07350	0.6
157.04942	0.8
162.05521	1.4
163.03893	100.0
164.04208	1.3
164.07071	10.3
165.05470	11.4
166.08624	23.6
166.10039	1.1
168.06535	4.7
171.06522	0.9
176.06989	0.7
177.05463	2.0
179.07016	0.6
181.04936	3.9
182.08118	48.9
183.06630	0.9
183.08632	1.6
184.09677	2.3
192.06589	0.8
192.14815	0.6
194.08127	11.8
206.08188	0.9
212.09166	1.9
225.07576	1.5
261.09616	0.6
265.06891	0.7
307.08099	1.2
310.12897	0.7
314.12329	1.0
325.09171	10.9
328.13907	3.5
334.47763	0.5
339.10843	1.9
344.13431	1.5
460.18274	1.5
466.76318	0.6
474.13748	0.7
506.16553	90.3
507.16858	5.4
638.20508	1.4
652.22321	13.4
653.22491	1.0
784.26508	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	784.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
55.05513	2.1
57.03432	8.0
59.04991	1.0
61.02925	4.1
63.53836	0.4
63.73862	0.4
67.05496	0.8
69.03429	10.4
69.25596	1.6
69.25999	0.8
69.75837	0.4
70.53965	0.4
71.01337	2.8
71.04588	0.4
71.04989	14.6
73.02911	31.8
75.04491	0.9
79.05486	0.5
81.03425	2.1
83.04975	9.6
83.05434	0.7
84.04527	0.4
85.02898	31.8
87.04462	1.8
89.03899	2.6
91.05487	0.7
94.06589	3.0
95.04971	1.4
97.02882	14.8
99.04450	2.4
101.02371	0.6
103.03934	1.2
107.04949	0.8
109.02854	0.7
110.06029	4.1
111.04437	8.0
113.06010	0.8
115.03918	8.8
117.03369	8.0
117.23138	0.4
122.06023	25.7
123.04388	0.9
124.07561	0.6
127.03894	2.0
129.05467	9.0
130.04965	0.4
133.04955	6.0
134.03731	0.5
134.05977	0.6
135.04379	2.3
136.07555	0.9
137.06012	0.9
138.05475	3.8
139.03874	0.7
140.07019	4.3
143.03467	0.4
145.02835	29.5
146.03207	0.5
147.06514	4.4
149.04758	0.8
149.05931	4.0
150.05498	20.7
151.03969	1.1
151.06296	1.0
152.07085	1.8
153.05502	0.6
157.04988	0.7
163.03893	12.9
164.04137	0.4
164.07024	1.6
165.05457	1.8
166.08627	3.0
168.06549	100.0
169.04932	0.5
169.06874	1.5
171.06465	0.9
177.05455	73.3
178.05807	1.5
181.04903	0.7
182.08118	6.2
184.09729	0.5
189.48465	0.4
194.08086	1.5
195.06573	2.7
199.05856	0.4
225.07567	2.4
243.08598	0.7
261.09622	0.5
300.10794	0.5
312.15512	0.5
314.12503	1.9
321.09573	1.8
325.09055	1.3
339.10706	29.6
340.10965	0.8
359.20438	0.4
446.16324	0.9
506.16550	33.1
507.16406	1.8
638.20349	0.6
652.22217	3.2
656.76019	0.4
784.24872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
55.05504	10.1
56.86004	0.7
57.03429	3.9
57.05806	1.2
57.55148	0.6
61.02921	27.8
64.11411	0.8
69.03425	10.2
71.01379	0.7
71.04974	0.8
72.08149	100.0
73.02914	11.7
81.03410	2.8
85.02896	63.0
86.03255	1.0
87.04456	0.9
91.03947	35.6
97.02882	25.2
97.03492	1.4
99.04420	2.9
101.02369	1.5
103.03956	1.6
109.02866	6.3
115.03921	2.2
117.05441	0.6
118.08644	52.9
127.03904	37.6
137.79189	0.7
145.04947	43.2
146.05264	0.9
163.06004	87.2
164.06345	1.0
181.07118	0.7
183.40984	0.7
225.30768	0.7
271.08139	1.5
289.09082	2.1
299.82523	0.7
307.10052	0.9
325.11285	28.8
326.11801	0.8
501.25815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
55.05507	12.7
57.03435	6.7
59.64346	0.7
61.02922	27.5
65.03935	1.7
65.04726	0.7
67.05502	28.3
67.05865	1.4
69.03178	0.5
69.03431	5.7
69.07066	10.7
70.06588	4.3
71.01357	1.1
71.04987	2.2
72.96199	0.7
73.02911	7.8
77.03957	1.2
79.05489	23.4
81.03419	4.0
81.07048	27.4
83.04978	2.3
83.08612	9.1
84.34776	0.7
85.02899	32.5
85.06526	1.6
91.03953	17.7
91.05473	28.4
93.07040	24.4
93.07604	1.6
95.04967	5.9
95.08600	16.1
97.02886	17.2
97.06525	4.9
97.10149	2.4
99.04428	1.7
99.08092	1.0
101.02370	1.1
103.05454	1.9
105.04482	1.1
105.07021	24.7
107.04957	3.2
107.08580	10.2
109.02871	1.8
109.06532	4.2
109.10137	6.6
111.08090	2.0
115.03963	1.6
115.05460	2.9
116.06230	1.4
117.07011	20.5
119.08563	14.6
121.06493	4.7
121.10126	5.7
123.08095	2.7
123.11672	0.9
125.09582	1.6
125.28874	0.8
126.05476	1.2
127.03896	6.7
128.06209	4.3
129.06998	27.1
131.04897	1.7
131.08556	25.8
133.06442	4.7
133.10112	9.7
135.08064	3.7
135.11688	3.1
137.09595	2.1
139.11157	1.3
141.06966	10.0
142.07777	2.5
143.08556	22.9
145.04967	6.3
145.06500	5.6
145.10091	14.0
147.08070	4.6
147.11650	3.5
149.09554	3.6
151.11185	1.2
153.06964	2.1
154.07747	2.0
155.06068	0.8
155.08539	16.7
157.06462	2.1
157.10091	13.4
159.08095	4.4
159.11665	8.7
161.09601	2.8
161.33424	0.7
163.06013	4.1
163.11108	1.9
165.06998	3.0
166.07787	1.3
167.08549	8.2
168.09308	1.1
169.10120	13.0
169.13319	0.9
170.10776	0.9
171.08020	1.7
171.11687	9.0
173.09608	3.1
173.13286	2.4
175.11182	2.5
175.14905	0.9
177.12749	2.6
178.07846	1.3
179.08554	3.9
180.09317	1.6
181.10081	9.6
182.10811	1.1
183.08147	1.0
183.11659	7.6
185.09631	2.7
185.13213	5.5
187.11217	2.6
187.14851	1.6
189.12775	1.0
193.10143	5.1
194.10812	0.8
195.11668	9.8
197.09665	1.5
197.13226	4.5
199.09471	0.8
199.11186	3.2
199.14825	2.1
201.12744	1.7
203.14349	1.8
205.10161	1.3
205.12169	1.5
206.11110	0.7
207.11705	4.1
209.13246	6.0
211.11256	1.2
211.14803	4.0
213.09093	0.9
213.12794	2.9
213.16319	1.9
215.14299	3.3
217.15910	0.9
220.12520	0.8
221.13248	6.1
223.14885	4.8
225.12737	2.3
225.16467	1.9
227.14311	2.0
231.13832	1.0
231.17348	1.3
233.13280	1.3
233.15359	0.8
235.14761	4.2
239.14346	4.1
241.16022	1.1
243.13788	1.1
247.14915	0.9
253.15892	3.4
257.15359	3.2
257.19064	1.2
259.17084	1.6
267.17413	1.4
269.15408	0.8
270.83850	0.9
271.17017	3.4
273.18665	0.9
274.20285	0.7
275.16409	1.1
283.16943	1.1
285.18576	1.1
303.19507	1.5
305.22528	1.9
315.21057	1.6
317.42105	0.8
323.23703	3.3
333.22034	9.5
334.22479	0.9
341.24643	5.2
351.23141	32.3
352.23376	1.2
353.24792	0.8
369.24228	23.7
387.25293	13.2
388.25864	1.3
389.24698	1.5
407.25983	1.8
415.28360	1.4
425.26871	8.6
433.29337	1.7
443.27881	100.0
444.28311	6.1
461.28937	68.0
462.29248	3.4
473.28781	1.1
477.26498	0.9
485.28943	1.8
495.26337	0.9
503.29828	1.3
551.29169	1.1
587.31628	1.7
605.32819	2.8
617.40167	1.6
623.34088	2.0
785.34247	0.8
785.48975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
66.08748	0.4
70.06590	100.0
70.20935	0.4
71.06909	1.1
72.08152	21.0
86.09704	4.2
96.08128	3.2
98.06050	31.0
112.11275	0.9
115.08690	0.5
123.09176	1.0
126.05510	25.4
128.28960	0.4
128.94356	0.4
138.12782	8.2
140.91138	0.4
141.10223	8.3
151.12253	2.1
154.15979	0.5
165.10341	0.5
167.11783	8.4
169.09727	7.2
169.13350	19.3
173.07718	0.5
177.10220	0.9
177.13940	0.7
179.11787	0.6
183.15022	1.4
185.16646	0.6
193.12140	0.8
195.11276	17.7
196.11549	0.5
197.12843	12.9
197.14580	0.9
199.18146	0.9
209.16568	1.2
211.14508	1.3
237.15884	0.6
241.83961	0.5
264.17221	1.2
266.15045	1.5
266.18646	3.1
282.21686	0.6
292.16708	1.1
293.19785	0.8
294.18109	12.4
294.21353	0.7
295.18375	0.8
310.21219	3.8
311.21295	0.7
361.26099	0.7
363.20248	1.3
363.24054	4.2
379.27060	4.6
391.23358	15.0
392.23846	0.5
407.26535	9.2
408.26672	0.9
423.30069	0.8
429.10974	0.5
476.32330	2.4
478.29855	0.7
492.35269	1.0
504.31641	8.7
505.32346	0.7
520.34967	3.2
521.34637	0.4
559.32263	2.5
589.40869	4.0
608.80505	0.5
617.40167	31.4
618.40143	2.3
644.40735	0.5
672.40735	4.0
673.41821	0.5
688.43878	2.0
714.46417	0.7
741.50140	0.8
757.49585	4.2
785.49097	23.8
786.49591	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	786.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05499	1.2
57.03432	5.5
59.04969	0.3
61.02923	3.0
63.02370	0.5
65.03947	0.6
67.05501	0.6
69.03072	0.4
69.03428	7.6
69.62244	0.8
69.62625	0.6
70.03785	0.3
71.01360	2.2
71.04990	8.7
73.02916	20.1
75.04468	1.1
76.92812	0.3
77.03925	0.3
79.05486	1.7
81.03426	2.4
83.04978	6.2
85.02903	19.9
86.03226	0.5
87.04454	1.8
89.03912	4.1
91.05482	2.6
92.04963	0.4
93.05785	0.4
93.07035	0.7
94.06561	0.5
95.04977	1.4
97.02891	13.1
98.22715	0.3
99.04443	1.5
101.02383	0.6
103.03899	0.6
106.06570	1.4
107.04957	2.0
109.02852	1.0
109.05279	0.6
109.06482	0.4
110.06024	0.8
111.04436	4.4
115.03925	4.4
117.03379	5.7
117.05743	0.3
118.06535	0.7
118.63347	0.3
119.04950	1.8
121.05242	0.3
121.06516	2.1
122.06055	0.6
123.04436	2.3
123.06828	0.8
123.08057	0.4
124.07596	2.7
125.05975	0.5
127.03914	1.5
127.55552	0.4
129.05473	3.9
130.06520	0.7
132.08118	0.6
133.02794	0.6
133.05026	2.8
134.06009	1.0
135.04410	12.7
135.06775	1.1
135.08032	0.3
136.05092	0.5
136.07562	3.3
137.05951	1.0
137.08131	0.3
138.05496	1.0
138.09167	1.5
138.58994	0.3
139.03896	2.2
139.07521	0.5
145.02841	10.5
146.05998	0.6
147.06540	2.7
148.07568	1.8
149.05971	0.8
150.05525	0.7
151.03879	0.9
151.06268	12.6
151.07521	3.6
152.07069	5.9
153.05505	0.5
157.04890	0.4
158.06007	0.5
160.07654	0.4
161.04688	0.4
162.05487	1.0
162.09129	1.0
163.03896	100.0
164.04242	2.7
164.07054	4.7
165.07736	1.6
166.08633	20.4
167.09027	0.8
168.06563	0.8
169.04994	0.7
171.06528	0.5
174.05547	0.5
175.06265	1.9
176.07054	2.1
177.05473	0.7
177.07765	0.3
178.08621	1.2
180.10173	0.9
181.04921	3.2
182.08127	5.8
183.06624	0.4
183.07143	0.4
183.08899	5.8
184.09685	97.0
185.10020	1.5
188.07008	0.5
189.07774	0.4
190.08607	9.2
191.09123	0.4
192.10162	1.0
193.07304	1.4
194.08131	4.1
195.08427	0.5
196.09714	4.3
202.05014	0.4
202.08612	0.8
204.10196	2.5
206.08157	0.5
207.08926	0.4
208.09665	9.8
210.11293	0.4
212.09067	0.5
214.08578	0.3
216.10210	0.8
217.07201	0.6
218.08253	1.5
220.09705	2.6
222.11163	0.4
225.07626	0.9
226.10727	9.5
232.09668	3.5
234.11276	0.6
238.10667	1.0
243.08627	0.6
244.09763	0.7
248.12823	0.3
250.10730	9.6
251.10838	0.4
258.11267	1.2
261.09842	0.5
262.10718	1.7
265.07153	0.5
268.11813	0.7
274.10638	0.5
276.12292	2.2
280.11722	0.9
292.11795	1.9
294.13373	3.4
295.07700	0.4
298.12979	0.7
307.08063	1.3
309.09589	0.7
310.12854	3.3
312.14392	7.2
316.13983	3.1
325.09171	20.4
326.09552	0.9
327.09705	0.3
328.13828	0.8
330.15472	11.0
330.19534	0.5
346.12738	1.0
346.15060	0.9
358.14972	3.2
375.82703	0.3
426.17325	0.3
438.17368	0.4
444.05737	0.3
444.18567	0.7
456.18301	0.6
462.19739	4.8
490.17029	1.2
508.18100	6.5
550.19250	1.9
574.19250	1.6
600.20667	1.2
618.21246	0.5
636.22961	1.4
640.22028	0.7
654.23969	2.1
682.23102	0.7
768.26050	0.4
786.27936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05502	1.5
57.03436	7.0
60.04526	0.8
61.02914	3.2
69.03429	9.6
69.48569	2.1
69.74312	0.5
71.01339	2.6
71.04992	12.7
73.02914	25.7
75.04467	1.5
79.05473	2.0
81.03403	2.1
83.04978	11.5
85.02899	31.0
87.04439	1.5
89.03911	3.6
89.11253	0.5
91.05473	1.1
95.04945	1.9
97.02892	13.6
99.04441	2.1
103.03915	1.2
104.59111	0.5
107.04941	6.4
109.02861	0.6
110.06018	0.9
111.04435	6.9
113.02348	1.2
115.03925	6.0
117.03371	9.4
118.97498	0.7
122.06025	2.8
123.04440	1.6
124.07571	0.7
127.03901	1.1
129.05473	7.9
131.03348	0.6
133.02884	0.7
133.04988	3.9
135.04405	9.2
136.06201	1.6
137.06041	1.2
138.05499	1.4
139.03876	1.4
144.06532	1.2
145.02840	33.9
146.03198	0.9
146.08096	1.5
147.06522	6.0
149.05962	3.6
150.05458	2.6
151.03899	1.4
151.06281	0.9
152.07060	5.1
153.05457	11.6
157.04825	0.9
163.03896	19.1
164.04237	0.8
164.09148	2.9
166.08623	1.7
168.06543	9.4
169.04962	0.7
169.06940	1.1
170.08119	3.0
171.06567	0.7
177.05458	100.0
178.05835	2.8
181.04947	0.9
184.06096	0.8
184.09692	4.4
195.06487	3.0
212.30573	0.6
225.07625	2.4
226.10646	0.9
243.08714	2.4
254.52469	0.5
261.09735	0.9
277.15808	0.6
296.13507	4.1
305.26553	0.6
306.17902	0.6
309.09656	0.8
316.13760	0.7
325.09171	4.3
339.10733	32.3
340.10901	2.0
378.77252	0.6
448.18243	1.0
454.09738	0.7
492.14664	1.8
508.17413	1.8
654.23682	0.8
786.27448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05501	0.7
57.03431	1.9
61.02924	0.4
63.02392	0.3
67.05498	0.3
69.03426	2.5
71.01341	0.8
71.04986	2.7
73.02912	2.6
75.04476	0.5
79.05515	0.4
81.03399	1.0
83.04972	2.4
85.02900	9.4
87.04441	0.3
89.03906	2.9
91.05471	0.6
95.04971	0.7
97.02884	5.3
98.22707	0.5
99.04459	1.1
101.02376	0.2
102.21424	0.2
103.03929	0.4
107.04937	0.5
108.50326	0.2
109.02847	0.5
111.04433	2.4
113.02364	1.8
113.03047	0.3
115.03947	0.5
117.03368	9.0
117.04208	0.5
118.03713	0.3
119.04939	0.4
127.03894	1.0
129.05447	1.6
130.93999	0.2
131.03413	2.4
134.03604	0.4
135.04398	3.0
137.05971	0.9
139.03882	0.4
143.03348	0.2
145.02832	37.1
146.03194	1.4
147.06544	1.0
149.05978	3.4
151.07552	0.5
153.05421	0.6
157.04930	0.4
163.03889	24.9
164.04237	0.6
169.04959	0.3
177.05449	100.0
178.05818	2.3
179.07095	0.2
181.04889	0.4
184.09648	0.8
186.05521	0.4
195.06517	1.4
225.07608	0.3
241.06929	0.3
243.08553	0.3
259.08087	0.4
279.08392	0.3
307.08154	0.3
321.09598	0.4
323.07785	0.2
325.09103	4.8
326.09714	0.3
339.10715	19.9
340.10962	0.7
378.31915	0.2
453.13184	0.3
495.48239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.6
57.03429	5.6
61.02919	5.2
68.99776	2.6
69.03423	26.4
69.03800	1.3
69.62817	1.4
69.63211	1.9
70.06593	0.9
71.01344	0.8
71.04993	4.9
73.02908	5.4
73.70059	0.7
79.05445	0.7
79.91438	0.6
81.03409	22.6
81.07072	0.9
83.04972	0.9
85.02895	74.6
87.00821	31.3
87.04457	0.9
89.03917	0.6
91.03939	0.8
91.05478	2.3
94.04146	1.8
95.04943	1.3
97.02881	28.9
99.04438	9.1
101.02331	0.7
103.03927	1.1
103.05434	1.7
105.01857	41.0
107.04919	1.1
108.04495	0.6
108.67278	0.6
109.02866	25.3
109.06462	1.6
110.48161	0.7
111.04424	1.9
114.38663	0.6
115.03912	0.7
115.05427	5.8
117.01127	0.7
117.01810	3.3
117.07006	2.6
119.08531	1.0
122.03621	5.0
122.28105	0.6
123.04340	0.8
125.02342	0.7
125.05927	1.4
127.03903	49.5
128.06177	1.0
129.01840	4.1
129.06978	6.0
131.04916	5.8
132.05678	1.1
133.02849	1.0
135.04350	1.0
137.05959	87.6
138.06262	1.4
143.04910	9.2
144.05658	2.0
145.03831	1.2
145.04948	20.2
145.06424	2.0
147.02876	2.0
147.04373	1.1
147.08087	1.3
149.05983	1.2
151.03865	2.1
151.07584	0.9
153.05461	2.5
157.06483	4.9
159.02867	9.2
160.05183	13.6
161.05942	3.0
163.03885	3.5
163.07527	5.6
167.07010	0.9
172.05151	2.0
173.06021	0.8
174.06787	1.5
175.07524	100.0
176.07886	2.4
177.05428	2.2
177.09103	0.8
179.06978	1.0
181.04988	2.1
187.07512	33.3
188.08000	0.9
189.03882	2.0
189.09081	7.4
191.08504	1.4
199.07489	2.1
201.09039	1.0
203.08591	2.0
205.06651	1.4
205.08554	18.5
211.07500	0.9
213.03831	3.5
217.08603	4.1
219.08105	2.4
219.10081	1.5
220.08710	0.8
224.20970	0.6
227.06810	0.9
231.04979	15.8
231.07973	2.5
232.08754	0.7
235.09599	22.4
237.18355	1.0
239.06897	1.4
240.07721	1.1
247.07523	2.1
248.08234	2.8
249.06064	3.8
251.10555	2.0
253.06947	1.2
255.06548	1.4
256.07346	0.9
259.07581	1.3
260.08383	1.0
261.09296	0.9
263.10666	4.2
265.08597	0.9
270.08762	2.5
271.09738	4.7
276.07776	1.3
279.10025	3.9
280.10901	0.7
281.07990	0.8
283.09665	1.3
291.07208	1.0
291.10123	7.1
292.10782	1.1
296.10379	1.1
308.10281	1.1
309.11182	1.0
311.12668	8.3
323.12756	12.5
325.14188	1.6
341.13824	17.2
357.13553	1.2
531.58362	0.7
594.65265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05496	0.4
57.03424	1.6
59.05000	0.4
59.49023	0.4
61.02928	0.9
69.03432	4.0
69.07043	0.3
70.06591	0.7
71.01366	0.7
71.04987	2.5
72.08142	0.5
73.02920	5.0
77.38699	0.3
79.05489	0.9
80.78387	0.3
81.03413	1.3
81.07040	0.8
81.14035	0.3
83.04970	2.3
85.02902	7.3
85.27341	0.4
89.03915	2.5
91.05473	1.0
93.07039	0.7
97.02888	7.5
97.06522	0.9
99.04424	1.0
105.01839	0.7
105.07016	0.8
107.04942	2.0
109.02933	0.9
109.06557	0.4
111.04422	1.2
113.02361	0.5
115.03911	1.1
117.03373	8.5
117.06992	0.4
118.03681	0.5
119.04914	1.1
119.08623	0.4
121.06525	0.7
123.04475	0.4
125.05986	1.3
127.03905	1.8
128.28847	0.3
129.05473	0.8
131.03380	0.4
131.04926	0.4
133.04933	0.5
133.06555	0.4
134.03645	0.5
135.04381	3.3
137.05957	4.0
143.07045	0.7
145.02841	33.3
145.10091	1.1
146.03181	0.5
147.04424	3.0
147.06453	0.5
147.35054	0.4
149.05975	5.4
151.03900	0.5
151.07556	0.4
153.05482	2.8
159.11601	0.5
161.06004	0.7
163.03900	5.2
163.07497	0.6
167.06995	0.6
169.05028	0.3
173.09595	1.0
175.07573	2.4
177.05457	100.0
178.05823	2.5
179.06967	0.5
187.07538	0.6
187.11154	0.8
191.07037	0.4
195.06528	2.1
205.12180	0.9
215.10548	0.8
222.95500	0.4
225.07558	0.4
228.12520	0.4
230.14778	0.3
233.11703	1.3
311.12616	0.6
321.09662	0.7
323.12775	0.6
326.17108	0.4
339.10718	20.2
340.10910	0.4
341.10068	0.6
440.40881	0.4
590.38440	0.5
810.60449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05504	3.7
57.03427	1.0
57.07047	1.0
59.04993	0.6
62.95924	0.4
65.03928	2.4
65.92699	0.4
67.05491	3.7
69.03424	5.1
69.07049	1.3
70.06594	0.6
71.04982	1.4
71.44340	0.5
73.02887	1.3
74.15723	0.4
79.05479	3.2
80.82302	0.4
81.03404	1.7
81.07045	4.9
83.04964	5.4
83.08616	2.3
85.02898	3.9
85.06524	1.5
86.14842	0.4
87.00818	1.0
87.04437	1.0
89.03912	6.6
91.05461	4.0
93.03378	2.8
93.07028	3.3
95.04963	3.5
95.08591	2.7
97.02879	42.9
97.06522	1.8
98.03246	0.4
99.04440	1.3
103.05457	0.6
105.01820	0.7
105.04490	0.4
105.07023	4.4
107.04939	1.8
107.08575	6.4
109.02866	1.4
109.06519	3.0
109.10145	11.5
110.13457	0.4
111.04427	1.9
111.08073	1.4
112.62019	0.4
113.05988	0.6
115.03879	0.6
117.03365	7.4
117.07010	0.6
119.04924	1.2
119.08575	2.5
121.02876	0.8
121.06415	0.6
121.10134	4.5
123.04382	0.4
123.08035	1.4
123.11689	2.7
125.05964	1.0
125.09609	1.1
127.03855	2.0
128.06136	1.0
129.01865	0.8
129.05475	0.9
129.06985	5.3
129.19711	0.4
131.04881	1.1
131.08595	2.8
133.10110	13.1
135.04396	14.8
135.08031	1.6
135.11649	0.9
137.02307	1.6
137.05917	0.7
137.13185	0.5
139.03876	0.7
139.11156	0.8
141.06976	1.4
143.07025	0.8
145.02823	15.3
145.03941	1.0
145.10066	2.6
147.04369	4.4
147.11665	1.0
149.02321	1.9
149.05878	0.5
149.09618	0.4
149.13206	2.9
151.07573	0.5
151.11133	5.1
153.09079	1.3
157.06471	3.6
158.10844	1.2
159.08131	0.6
161.05959	0.7
163.03880	100.0
163.14767	0.7
164.04248	2.1
165.12737	2.4
167.03416	10.4
167.04834	1.2
167.14291	5.1
169.06493	0.9
173.05988	1.4
173.09573	0.6
173.13234	5.1
175.03880	1.2
175.07527	8.2
177.05441	13.8
178.05901	0.5
181.04875	0.7
185.05943	5.0
187.11095	0.5
191.14285	6.7
193.04866	0.5
197.06055	0.7
201.05426	1.5
203.06969	4.1
209.06111	0.4
209.15332	33.0
210.15681	0.5
213.05446	3.4
214.71426	0.4
215.10649	1.0
221.18973	0.6
227.16324	0.5
231.06502	7.4
241.04932	0.6
259.05911	1.9
277.07031	25.1
278.07196	0.9
295.08109	5.3
298.74554	0.5
327.06943	0.5
339.10596	2.6
345.08063	1.0
402.70880	0.5
426.83463	0.4
427.20102	0.4
467.90106	0.5
525.12103	0.7
538.14685	0.4
543.13452	4.5
671.79321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
55.05508	27.5
56.35746	1.8
57.03437	13.9
57.07062	3.6
61.02926	12.9
65.03936	5.9
67.05502	71.8
67.05863	3.6
69.03426	7.0
69.07063	28.0
71.04976	6.5
73.02900	4.0
79.05041	4.0
79.05489	67.8
79.05950	4.1
80.05809	2.2
81.03410	3.5
81.07053	77.8
83.04961	6.9
83.08617	15.2
85.02892	9.8
85.06537	4.5
91.03946	5.7
91.05475	71.9
93.07042	59.5
94.07439	1.9
95.04964	14.6
95.08016	3.9
95.08603	55.7
97.02882	8.8
97.06519	8.8
97.10195	4.5
99.08117	2.6
103.05460	2.8
105.04514	5.6
105.06352	3.7
105.07029	57.6
105.07733	3.1
107.04953	5.9
107.08578	32.5
109.06535	11.3
109.10151	19.9
111.08073	2.9
115.05448	6.8
116.06226	2.9
117.06174	2.9
117.07012	50.9
119.04942	3.2
119.08578	40.2
121.06480	7.2
121.10147	24.0
123.08064	7.1
123.11685	5.7
125.09629	2.9
128.06209	13.9
129.06993	28.3
130.07776	3.8
131.04980	2.3
131.08560	56.3
133.06488	9.1
133.10133	21.7
135.08087	10.2
135.11652	14.5
137.09662	2.5
141.06946	6.1
142.07761	6.6
143.08557	42.6
145.06448	2.7
145.10112	75.5
147.08025	10.6
147.11649	15.5
149.09639	10.0
149.13254	5.4
153.07025	3.6
154.07834	3.0
155.08537	8.0
157.10103	34.9
157.11246	3.7
159.08005	5.8
159.11682	23.5
161.09627	17.3
161.13239	7.3
163.11227	10.1
164.80139	2.2
165.07114	2.6
165.12663	2.0
167.08559	3.6
169.10097	16.5
171.08090	2.9
171.11674	22.4
173.09581	4.9
173.13264	6.3
175.11182	9.6
175.14781	3.3
177.12732	6.2
181.10072	5.8
183.11610	7.6
185.09608	4.1
185.13263	12.9
187.14839	3.8
189.12743	4.3
195.11678	12.9
197.13356	2.9
199.11134	3.4
199.14664	2.8
203.14305	2.7
209.13158	3.2
211.14752	3.4
215.14221	4.7
227.17896	11.4
237.16286	14.3
245.19014	11.3
255.17392	24.7
261.22116	5.0
273.18463	96.4
274.18729	5.4
275.19946	2.2
291.19455	5.0
329.21103	5.8
335.25775	100.0
336.26141	4.6
347.22153	43.5
363.40347	2.4
444.92450	2.2
510.72198	2.3
521.38190	2.3
533.25061	3.3
534.57281	2.4
593.27454	14.8
607.43494	41.0
625.44904	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.7
55.05508	48.3
57.03428	14.9
61.02911	10.5
61.17341	3.6
65.03935	8.2
67.05158	7.2
67.05499	88.3
69.03419	6.6
69.07059	24.6
70.16344	8.0
70.16685	4.3
70.42013	3.8
79.05488	75.8
81.03409	7.2
81.07053	85.2
83.04972	5.6
83.08611	14.8
85.02893	7.7
85.06519	5.2
89.37252	3.8
91.05478	100.0
93.07038	67.0
95.04973	24.4
95.08593	60.6
97.02869	8.1
97.06506	6.0
97.10174	7.1
98.22768	5.1
99.08092	5.4
103.05466	4.7
105.04520	4.1
105.07026	78.3
107.04955	8.2
107.08596	32.1
109.06512	12.8
109.10160	16.0
111.08051	6.8
115.05428	13.0
116.06252	11.7
117.07001	54.0
119.04916	4.5
119.08579	41.9
120.47564	3.4
121.06486	7.4
121.10157	18.6
123.08080	8.1
123.11667	4.1
128.06226	34.2
129.07008	39.6
130.07803	11.5
131.08559	89.9
133.06473	10.3
133.10118	27.5
135.08028	6.9
135.11719	10.5
141.06999	14.9
142.07745	15.6
143.08553	84.7
144.09019	3.4
145.06474	5.5
145.10114	88.0
147.08018	13.2
147.11650	9.1
149.09557	5.3
155.08588	7.8
157.10103	22.5
159.08086	5.5
159.11671	27.8
161.09604	11.8
161.13228	7.5
167.08539	8.7
169.10094	17.9
171.11600	20.0
173.09639	4.7
173.13225	4.8
175.11198	8.7
181.10100	14.5
183.11670	12.7
184.07222	4.7
185.13216	9.2
187.14880	4.4
195.11705	19.9
201.12801	3.5
209.13388	4.8
227.17996	7.4
237.16289	20.5
255.17488	17.8
273.18460	67.1
329.21158	4.3
335.25739	70.8
347.22195	31.9
379.97449	4.5
519.96368	4.0
533.25299	4.5
593.27277	4.4
607.43396	36.4
787.43835	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	787.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	18.7
55.05506	37.9
57.03425	13.6
57.07063	4.4
61.02918	15.9
65.03931	4.7
67.05501	77.9
69.03427	17.2
69.07065	30.9
70.82455	2.2
71.04982	8.2
71.08624	2.6
73.02911	8.8
79.05040	4.1
79.05489	64.4
81.03402	12.8
81.07054	64.3
83.04978	7.9
83.08621	17.4
85.02904	12.4
85.06528	5.9
91.03954	7.3
91.04935	4.3
91.05475	55.9
93.07043	54.0
95.04968	20.4
95.08601	47.9
97.02894	14.4
97.06529	18.2
97.10157	16.9
99.04420	2.6
99.08095	3.7
103.05398	2.7
104.46815	2.4
105.04510	4.3
105.07024	56.1
105.07735	3.2
107.04948	9.8
107.08582	35.1
109.02853	2.6
109.06467	10.0
109.10158	26.6
111.08060	4.0
115.05464	3.9
117.07011	30.0
119.08575	46.6
121.06489	5.7
121.10147	19.6
123.08044	7.5
123.11700	7.7
124.83886	2.1
125.09645	13.7
127.03956	5.6
127.28256	2.0
128.06229	5.3
128.79718	2.1
129.07001	22.2
131.08569	33.4
133.06445	3.3
133.10115	28.1
135.08037	6.6
135.11667	14.3
135.92406	1.9
137.09612	3.3
141.07004	8.7
141.12807	2.7
142.07779	7.5
143.08559	26.8
145.04967	2.2
145.06531	4.9
145.10127	30.5
147.08046	5.3
147.11639	19.6
149.02328	6.5
149.09610	7.4
149.13261	5.7
150.02686	3.6
151.11122	2.4
154.07803	3.1
155.08539	18.6
156.09299	3.5
157.10126	25.3
159.11685	21.7
161.09663	3.3
161.13225	11.4
163.11183	6.2
165.12810	2.2
167.08545	7.1
168.09143	2.3
169.10095	20.8
171.10271	4.4
171.11621	20.8
173.09651	3.2
173.11923	3.6
173.13210	16.0
175.11137	4.8
175.14787	5.5
177.12741	3.9
179.08554	3.5
181.10089	9.5
182.10944	2.6
183.11630	17.2
184.07318	4.0
185.13266	13.1
187.11288	2.0
187.14806	8.1
189.11241	4.9
191.14244	5.0
193.04932	7.0
193.10103	4.2
195.11693	9.3
197.13152	12.0
199.14807	10.8
200.15485	2.1
201.12886	3.3
201.16327	3.7
205.10027	2.5
207.11620	3.9
209.13252	7.8
211.14944	10.1
213.16364	7.0
219.11778	2.9
219.13835	4.7
221.13211	5.1
223.14822	6.1
225.16376	6.9
227.12775	8.3
227.18083	4.3
229.14362	5.9
229.19576	3.2
233.13362	2.4
237.16408	6.2
239.18010	3.8
241.19531	4.4
253.19501	3.8
255.21080	2.7
256.21283	2.6
257.18961	5.7
259.20581	12.0
267.20999	2.5
273.18484	3.5
275.20139	13.6
299.20010	2.5
301.21643	5.0
313.17996	3.6
315.23190	3.7
331.19125	2.9
332.19650	2.9
333.24005	10.0
335.25812	4.8
347.22195	2.4
349.23691	7.6
365.28531	4.2
379.29953	3.0
421.31085	5.2
439.32117	3.1
495.34418	2.7
513.35773	26.3
515.38458	7.4
527.37097	6.1
533.39655	9.0
551.40814	5.6
555.36761	2.4
589.41797	2.9
607.43488	50.9
608.43707	3.3
609.45306	3.7
625.44556	100.0
625.54932	4.8
626.44232	2.4
769.47858	4.7
770.16394	2.6
787.49988	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	788.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05490	0.5
57.03185	0.2
57.03436	2.4
61.02921	0.9
63.02375	0.3
69.03067	0.2
69.03426	3.5
69.72746	0.5
71.01346	0.6
71.04987	4.4
73.02910	7.0
75.04478	0.3
81.03407	0.7
83.04974	2.5
85.02898	8.1
87.04441	0.4
89.03899	2.2
91.05458	0.2
95.04955	0.2
97.02886	6.0
98.03194	0.2
98.23384	0.2
99.04429	0.7
103.03941	0.3
106.04153	0.2
109.02871	0.4
111.04433	1.7
115.03922	1.7
117.03367	8.2
127.03900	0.6
129.05458	1.7
133.04958	0.8
134.03629	0.5
135.04375	0.5
137.05977	0.4
139.03897	0.3
145.02835	34.0
146.03168	0.6
147.04424	0.2
147.06529	1.3
149.04663	0.3
149.05956	3.2
153.05557	0.1
157.69894	0.1
163.03876	0.8
169.04985	0.3
171.06506	0.2
177.05453	100.0
178.05798	2.5
179.07039	0.3
180.89847	0.1
186.05452	0.2
195.06525	1.9
221.07855	0.2
225.07565	0.4
233.07982	0.2
243.08583	0.2
279.08542	0.3
279.11087	0.2
305.10345	0.2
309.09705	0.8
321.09714	0.6
323.11246	0.8
339.10718	22.5
340.10999	0.7
396.41843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05503	0.4
57.03432	1.6
59.04983	0.3
61.02912	0.6
69.03423	3.2
69.80285	0.2
69.83347	0.7
71.01346	0.5
71.04989	3.9
73.02910	6.3
75.04486	0.3
79.05478	0.4
81.03401	1.0
83.04976	2.2
85.02898	7.0
87.04462	0.5
89.03906	1.8
97.02885	5.5
98.23412	0.3
98.68103	0.2
99.04439	0.4
103.03931	0.5
107.04925	0.7
109.02825	0.3
111.04440	2.2
115.03922	2.0
117.03356	3.0
127.03898	0.6
129.05464	2.1
133.04927	1.0
135.04411	6.8
139.03842	0.4
139.31613	0.2
145.02834	8.4
147.06493	1.3
151.07536	0.9
156.65099	0.2
163.03888	100.0
164.04216	1.9
165.05478	0.2
169.04893	0.2
177.05452	4.0
181.04953	2.0
181.08586	0.4
193.08589	0.4
193.96292	0.2
208.44247	0.2
225.07584	0.6
243.08665	0.4
261.09586	0.3
277.10626	0.3
279.10776	0.3
282.92578	0.2
295.07968	0.4
295.11780	0.2
307.08127	0.7
309.09680	0.6
315.73257	0.2
325.09149	22.9
326.09363	0.5
339.10544	0.4
371.12607	0.3
387.98544	0.2
809.67609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05507	3.6
57.03436	12.8
59.04996	1.2
61.02630	0.6
61.02927	6.3
64.64673	0.3
65.03952	0.6
67.05502	1.0
69.03428	25.7
70.03729	0.4
70.06593	0.6
70.77944	0.5
71.01345	3.6
71.04990	37.6
73.02915	41.5
75.04475	6.3
79.05481	0.6
81.03415	4.1
83.04979	21.9
85.02902	100.0
85.06564	0.5
86.03232	0.6
87.04462	4.4
91.03951	0.9
91.05477	8.5
93.07041	0.7
95.04971	4.0
97.02891	31.5
97.06548	0.6
97.13020	0.3
99.04448	3.7
101.02392	0.4
101.06017	1.5
103.03951	3.0
103.05478	0.5
105.07018	1.0
107.04951	0.8
109.02866	2.8
110.04344	0.3
111.04440	19.2
111.43832	0.4
113.02370	1.1
113.06001	1.3
115.03931	22.0
117.05506	0.7
119.04086	0.3
119.04939	7.3
121.06528	1.8
123.04413	1.2
127.03915	9.8
129.05476	37.5
130.05791	0.3
131.04953	0.8
133.03955	0.5
133.04965	10.1
133.06502	1.4
135.04388	0.7
136.05186	0.9
137.05952	1.2
139.03903	4.7
141.05457	0.6
143.03421	0.4
143.04971	0.4
145.04959	9.2
147.06517	29.0
149.04449	0.9
149.05956	1.1
151.03909	0.9
151.07533	55.1
152.07881	1.4
153.05449	1.2
157.04942	1.4
157.06348	0.6
159.06458	0.5
161.05952	1.0
163.03873	1.2
163.06013	4.9
163.07504	1.8
165.05457	0.9
165.07571	2.3
165.09093	3.9
169.05019	2.4
169.08606	18.6
171.06535	2.1
171.07916	0.4
175.06068	0.5
175.07530	1.2
177.05487	0.8
179.07062	1.9
181.05122	0.4
181.08578	5.8
183.06480	0.8
187.06020	0.9
189.07599	0.4
189.09183	0.7
193.08600	8.1
195.06519	0.8
199.06003	1.5
201.07430	0.4
201.09225	0.4
203.07010	0.6
205.08745	0.7
207.06516	0.8
213.07503	0.7
217.06866	0.6
217.08618	1.0
219.10190	0.4
223.05957	1.0
225.07562	12.5
231.08632	1.2
235.09741	1.9
237.07556	1.6
241.06998	1.9
243.08621	11.8
245.04274	0.4
247.09703	1.8
255.08611	2.8
259.08173	2.2
261.09494	3.1
261.11365	3.1
265.10754	3.5
273.09659	5.7
277.10794	5.4
279.10532	18.4
289.09061	0.4
291.10660	0.4
291.40533	0.4
295.11514	2.6
301.03397	1.1
303.05014	1.1
309.11786	10.7
315.14377	0.9
325.11115	0.5
331.13870	1.7
387.12415	0.5
408.21530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05510	28.0
57.03432	7.3
57.07064	2.3
59.04997	2.1
61.02925	4.2
61.65264	1.8
65.03938	2.2
67.05504	64.6
69.03417	11.7
69.07064	35.9
71.04994	21.7
71.42912	2.1
79.05493	35.0
79.49350	2.3
81.03419	9.2
81.07053	83.0
83.04980	3.4
83.08622	13.5
85.02907	2.3
85.06548	6.2
91.05479	36.8
92.04993	3.1
93.07046	27.0
95.04966	15.4
95.08596	18.2
96.08146	3.9
97.02873	11.4
97.06532	7.8
97.10172	11.4
99.08072	2.1
105.07036	23.8
107.04943	4.9
107.08587	26.8
109.06524	5.6
109.10140	14.7
111.08076	2.2
117.07017	8.9
118.06557	8.3
119.08556	13.6
121.06511	2.2
121.10154	7.1
123.08085	4.5
123.11753	10.2
125.09643	9.9
129.06970	4.3
131.08551	9.5
133.10114	19.2
135.08102	4.7
135.11717	6.4
143.08595	3.2
145.10136	8.3
147.08047	6.1
147.11642	5.6
147.62170	2.1
149.09648	3.2
149.13266	6.8
151.11195	8.5
153.09251	2.2
157.10168	3.7
159.11697	6.6
161.09604	2.3
162.09171	9.5
163.09962	3.8
163.11214	3.4
169.12276	3.6
171.11659	2.6
177.12749	2.7
183.11833	2.5
183.13774	3.1
189.11220	2.4
195.13910	2.6
202.16000	3.0
223.13257	19.6
227.12875	5.4
230.15352	16.8
249.14832	3.5
257.17535	2.9
269.17538	8.0
273.18414	11.9
291.19537	86.8
292.19131	43.5
301.19989	20.8
302.20389	2.3
347.22266	3.0
349.20160	5.4
365.23151	21.9
510.26892	2.8
515.33820	3.4
533.34747	100.0
534.34937	5.5
541.35474	2.6
547.36591	11.7
559.36249	54.2
560.36743	3.8
591.38934	34.1
788.35956	3.3
788.49377	51.6
789.49921	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	788.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	1.6
55.05712	0.4
56.83449	0.5
57.03395	1.1
61.02876	1.4
67.05502	3.2
69.03383	1.5
69.07031	1.0
69.35539	1.2
69.35926	0.8
73.02872	1.4
79.05489	2.5
81.03364	1.4
81.07067	2.9
83.08568	0.5
85.02858	1.1
91.03915	0.5
91.05476	4.9
92.05003	5.6
93.05733	1.7
93.07040	2.3
94.06525	1.3
95.04897	1.4
95.08565	1.7
97.02867	0.9
97.06530	0.4
97.10126	0.6
101.02351	0.5
105.06982	1.7
106.06565	2.1
106.07148	0.4
107.08514	1.2
109.10101	1.1
117.05721	2.0
117.07007	0.7
118.06537	19.2
119.07262	1.4
119.08530	1.1
120.04457	0.6
120.08099	2.1
121.10119	0.8
129.07077	0.4
130.06494	1.8
131.07265	0.8
131.08534	1.2
132.08081	2.5
133.10062	0.9
134.09622	0.9
135.11623	0.4
143.08549	0.4
144.08023	1.1
145.10089	0.5
146.09575	1.6
147.11591	0.6
150.09096	0.5
157.10062	0.8
159.11621	0.8
160.11263	0.4
162.09137	20.2
163.09921	6.0
164.10699	0.9
173.42256	0.4
176.10620	2.0
184.85210	0.4
190.12209	0.5
202.15878	5.3
204.13832	0.5
212.64925	0.4
218.15295	0.5
230.15390	36.9
231.15717	1.3
242.37779	0.4
248.16423	1.7
262.17938	1.6
267.15775	0.5
272.86813	0.4
274.18021	1.6
275.20328	0.5
292.19043	84.6
293.19385	2.9
304.19217	2.0
318.20581	0.6
322.19965	0.8
332.22134	1.3
335.25757	0.6
348.21619	3.5
462.93118	0.4
510.26944	7.9
511.27466	0.9
541.35217	1.3
608.43878	0.8
626.43958	4.3
788.49329	100.0
789.49829	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	788.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	1.8
57.03394	0.8
59.01808	0.3
60.05612	0.5
61.02879	1.5
65.03898	0.4
67.05502	2.3
69.03370	1.3
69.07011	1.0
69.08707	2.3
69.77119	0.4
79.05484	2.1
81.03370	0.8
81.07052	2.5
82.13291	0.4
83.08583	0.5
85.02880	1.9
91.03910	0.7
91.05463	3.1
92.04997	5.4
93.05741	0.8
93.06981	1.2
94.06509	1.0
95.04923	0.4
95.08562	1.3
97.02824	1.1
101.59788	0.4
105.06951	1.4
106.06528	1.9
107.08549	0.8
109.10105	0.9
110.12405	0.4
117.05706	1.4
117.06999	0.3
117.28169	0.3
118.06529	19.3
119.07372	1.7
119.08504	0.8
120.08099	1.9
127.03806	0.4
127.88733	0.4
130.06496	2.0
131.07274	0.7
131.08545	0.5
132.08083	3.4
133.10057	0.4
134.09584	0.9
137.08345	0.6
144.08070	1.0
145.08841	0.5
145.10062	0.3
146.09605	1.0
160.11139	0.8
162.09128	20.0
163.09915	6.0
164.10686	0.8
176.10689	2.2
187.48981	0.3
190.12285	0.5
197.29073	0.3
202.15871	5.9
206.82484	0.4
218.15359	0.6
230.15375	33.9
231.15651	0.7
246.18550	0.5
248.16518	2.3
262.17987	1.2
274.17999	1.8
292.19028	100.0
293.19318	2.7
302.20840	0.4
304.18988	1.9
322.20020	0.9
332.06909	0.4
332.22198	2.1
334.48853	0.3
348.21710	3.4
387.06387	0.4
510.26938	8.6
541.35620	0.6
554.77112	0.4
626.44067	3.6
627.44885	0.6
641.39478	0.4
788.49286	96.0
789.36548	0.6
789.49841	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	788.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05506	15.0
57.03432	13.2
57.07082	2.6
61.02923	1.3
65.03939	3.6
65.11949	1.0
67.05502	40.4
68.05290	1.1
69.03417	5.7
69.07066	23.6
69.10476	8.8
71.04996	3.5
71.29626	1.1
79.05486	30.6
79.05946	1.9
81.03412	59.7
81.07051	46.9
82.07399	1.3
83.04976	4.8
83.08622	8.8
85.02901	1.6
85.06564	2.1
86.20705	1.2
87.04469	1.4
91.05473	27.1
93.07043	32.8
95.04961	54.5
95.08598	39.0
96.05319	1.9
97.02900	1.5
97.06536	15.6
97.10168	5.3
99.04459	3.5
99.08061	2.0
104.07083	1.3
105.04520	1.7
105.07028	31.1
107.04957	4.4
107.08585	31.4
109.06519	14.9
109.10147	53.0
111.08083	4.3
111.80497	1.3
115.05447	2.3
117.07001	6.0
119.08574	39.9
119.09416	2.1
121.06501	9.0
121.10133	24.6
123.04408	11.6
123.08061	32.6
123.11682	11.3
125.09595	7.7
127.07523	1.3
128.06213	1.8
129.06996	6.1
131.04970	1.4
131.08554	18.5
133.06522	6.9
133.10117	32.7
133.11136	1.6
135.08049	14.6
135.11685	16.4
137.05954	1.2
137.09590	6.9
139.07545	1.8
139.11195	2.1
141.05493	2.0
141.06960	2.3
142.07788	2.2
143.08549	7.8
144.09276	3.3
145.06468	6.3
145.10117	25.3
147.08029	7.4
147.11676	33.1
148.11888	1.1
149.06013	1.2
149.09587	10.2
149.13261	10.7
151.07518	2.2
151.11163	23.1
152.57423	1.1
155.08546	3.5
156.09332	1.5
157.10123	12.7
158.10895	5.0
159.08054	5.6
159.11674	21.3
161.09619	14.4
161.13231	20.7
163.07588	1.6
163.11224	6.1
163.14771	8.3
165.09116	2.0
165.12747	3.5
167.08589	1.4
167.14342	2.5
168.09268	1.5
169.06445	1.4
169.10120	2.8
170.10883	2.1
171.08014	2.8
171.11652	8.7
173.09618	7.8
173.13243	36.3
175.07544	2.2
175.11191	11.1
175.14810	21.3
176.11951	3.2
177.09102	3.6
177.12712	3.6
177.16345	1.4
179.07083	2.1
179.10654	20.9
181.10268	2.1
181.12131	1.5
182.10851	1.3
183.08040	2.4
183.11690	4.5
184.08827	1.5
184.12569	2.1
185.09570	7.5
185.13211	6.0
187.11118	6.5
187.14780	9.0
189.09105	3.8
189.12721	5.6
191.10713	3.9
191.12524	2.8
191.14290	58.8
192.14642	2.0
193.10291	2.5
193.12206	30.0
195.11725	3.2
197.09653	4.3
197.13258	4.0
199.11183	5.0
199.14905	3.4
201.12730	5.4
201.16351	9.1
203.10629	2.0
203.14349	3.2
205.12245	8.6
207.10149	2.3
207.12100	1.6
207.13771	8.4
209.09682	1.9
209.13385	2.7
209.15343	35.2
210.15761	1.6
211.11198	5.4
211.14914	2.0
213.12747	5.5
215.10670	2.3
215.14357	2.9
215.17934	2.8
217.12253	3.7
219.13785	18.7
221.15338	22.9
225.12762	2.9
225.16527	1.6
227.10754	2.1
227.14444	2.7
229.12230	2.4
229.15955	2.1
231.13809	5.0
233.15363	2.8
237.12677	1.7
239.14337	4.9
241.12154	2.5
241.15967	4.2
243.17480	1.7
243.21114	2.8
245.15437	3.7
247.17004	2.6
251.14247	2.2
253.15866	3.5
255.13695	2.6
257.15402	5.1
257.22614	38.5
259.17151	1.6
261.21976	5.8
267.15747	23.7
269.15302	2.9
271.16962	3.6
275.16586	1.6
277.15762	1.5
285.18463	6.1
285.22086	2.6
287.16461	3.9
287.19763	1.3
295.16937	11.7
299.15082	1.4
301.25183	1.5
302.45099	1.2
303.19727	2.8
303.23148	29.3
305.17368	1.5
313.17944	100.0
314.18341	5.2
331.19003	98.0
332.19406	3.4
335.25797	26.1
365.19598	4.0
373.20139	7.7
383.54504	1.3
391.21146	22.3
408.23843	10.8
409.22510	1.6
435.32507	2.1
527.37122	13.8
545.38550	8.4
569.39526	3.9
587.40851	4.3
626.44843	1.7
633.41113	3.4
647.42975	3.1
648.99194	1.3
772.53156	1.5
788.46997	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	790.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05500	0.6
57.03437	2.2
59.04980	0.3
61.02924	0.3
62.22221	0.2
64.36423	0.2
69.03426	2.0
70.06583	0.5
70.99837	0.3
71.01343	0.5
71.04987	4.2
71.21231	0.2
73.02910	0.9
75.04470	0.4
79.05471	0.6
81.03417	0.8
82.80251	0.2
83.04980	3.0
85.02901	13.2
89.03903	2.3
91.05494	0.2
92.67378	0.2
95.04965	0.5
97.02888	3.7
97.06528	0.3
99.04449	0.8
103.03949	1.4
107.04928	1.2
109.02865	0.5
109.06646	0.2
111.04435	2.1
113.02364	1.4
117.03379	3.7
123.04426	0.2
127.03912	0.7
129.05476	2.8
131.03407	2.6
135.04419	8.0
135.82809	0.2
136.04738	0.2
137.05986	0.5
139.03827	0.3
145.01692	0.4
145.02844	7.7
147.06528	2.0
149.05943	0.2
157.04922	0.5
163.03893	100.0
164.04237	2.7
165.05521	0.4
167.03462	0.2
171.06503	0.3
175.06010	0.5
177.05453	0.4
179.07120	0.2
181.04941	2.0
213.07513	0.3
241.07117	0.5
259.08124	1.1
273.07693	0.3
277.09174	0.5
291.08673	0.2
293.06403	0.2
303.04904	1.0
304.05328	0.7
307.08130	0.6
309.09756	0.7
325.09167	21.9
326.09448	0.8
439.12396	0.2
455.11487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05498	0.4
57.03436	1.5
59.04991	0.2
61.02921	1.0
63.02367	0.3
66.62753	0.1
67.05495	0.2
69.03424	3.3
71.01336	0.6
71.04990	3.5
71.39507	0.1
71.42042	0.2
73.02914	5.8
75.04451	0.3
79.05468	0.6
81.03414	0.7
83.04974	2.0
85.02897	6.5
87.04446	0.3
89.03902	2.7
95.04966	0.2
97.02254	0.2
97.02887	4.8
99.04453	0.5
100.68050	0.1
101.02356	0.4
103.03951	0.3
106.05687	0.1
107.04947	2.5
109.02876	0.3
111.04440	1.3
115.03935	1.4
117.03374	3.6
119.04901	0.1
123.04408	0.6
127.03906	0.4
129.05476	1.6
133.04977	0.7
135.04407	10.4
137.05972	0.2
137.98373	0.1
139.03908	0.3
145.02838	8.4
147.06522	1.1
149.06012	0.2
151.07503	0.1
153.05461	2.2
163.03889	100.0
164.04228	2.0
165.99171	0.1
177.05479	0.3
181.04959	1.8
201.05394	0.1
203.07051	0.2
207.06554	0.2
219.06430	0.2
225.07596	0.4
231.06473	0.2
243.08754	0.2
261.09933	0.3
265.06888	0.3
275.46332	0.1
279.10876	0.2
291.08640	0.2
295.08157	0.5
307.08130	0.5
309.09662	0.5
325.09158	16.7
326.09467	0.5
432.42148	0.1
441.11880	0.2
459.12796	0.4
597.42847	0.2
785.56445	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	790.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05513	0.4
57.03432	1.6
61.02914	0.8
63.02387	0.4
64.59557	0.2
65.03948	0.3
69.03423	3.4
69.18193	1.4
70.06602	0.4
71.01357	0.6
71.04990	3.3
73.02541	0.4
73.02915	5.5
79.05478	1.1
81.03410	0.9
83.04980	2.5
85.02898	8.0
87.00822	0.4
89.03903	2.2
91.05455	0.3
95.04981	0.6
97.02889	6.5
97.59198	0.3
99.04432	0.6
101.02382	0.3
107.04951	2.3
109.02866	1.0
111.04424	1.4
115.03939	1.4
117.03371	2.9
123.04459	0.4
127.03907	1.6
129.05469	2.2
133.04938	0.7
135.04402	9.7
137.02237	0.3
137.06003	0.3
139.03870	0.3
145.02841	6.8
145.04800	0.3
147.04506	0.3
147.06502	1.0
149.05974	0.7
153.05479	2.0
161.05925	0.3
163.03889	100.0
164.04204	2.3
165.09137	0.3
172.95396	0.3
173.06076	0.3
175.68633	0.2
177.05391	0.4
181.04942	2.2
195.06282	0.3
197.76318	0.3
211.48061	0.2
225.07573	0.5
243.08534	0.3
274.21204	0.3
277.07004	1.0
279.10638	0.4
279.31628	0.3
295.08145	0.7
307.08057	0.4
309.09662	0.7
325.09149	20.4
326.09439	0.6
347.91544	0.3
455.56543	0.3
459.12878	0.4
482.07367	0.6
790.38232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05499	0.4
57.03425	0.2
61.02910	0.3
61.18221	0.1
65.03936	3.2
67.05504	1.2
68.99791	0.2
69.03410	0.7
69.07509	0.7
69.07935	0.5
70.06584	0.2
71.04975	0.2
74.54097	0.1
79.05479	0.4
81.03401	0.4
82.04192	1.1
83.04980	1.7
85.02900	3.1
93.03400	0.9
95.04951	1.0
97.02875	0.6
97.06519	1.1
107.04937	0.3
108.02099	0.3
109.02876	0.4
110.03654	1.5
111.00797	0.3
111.04433	1.6
119.04893	0.2
121.02870	0.4
123.00747	0.2
123.04420	0.3
125.05999	1.2
129.05470	0.2
137.02304	1.0
138.03076	1.0
139.03743	0.2
140.04671	1.3
142.02585	0.7
145.02818	0.3
147.04398	0.6
153.01820	0.8
153.05455	2.4
155.06990	0.5
163.03870	0.6
165.01819	0.5
166.02734	0.2
171.06522	4.9
177.05440	0.5
181.04942	100.0
182.05293	2.3
199.05963	0.2
201.05435	0.5
210.05878	0.2
229.04947	1.3
243.11154	0.2
257.04327	0.8
274.04785	0.2
285.04004	0.4
303.04971	26.9
304.05313	0.9
327.10733	6.5
328.10922	0.3
353.63342	0.2
666.12781	0.2
683.20587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.4
71.43877	1.2
73.02919	1.4
79.02892	0.9
81.67423	1.1
85.02904	2.0
97.02885	1.6
121.06516	1.9
135.04387	1.0
149.05980	2.9
150.91586	1.1
154.89542	1.1
163.03893	17.6
163.17191	1.0
164.04207	2.4
165.09093	0.9
171.91734	1.0
181.04929	1.1
185.04192	2.0
189.05280	5.6
197.72208	1.2
201.03638	1.4
203.05241	35.1
205.08365	8.9
325.09125	5.7
336.15469	1.5
351.10422	24.8
369.11548	32.5
385.14670	58.0
386.15051	3.1
387.15063	1.5
429.13669	100.0
430.13947	2.7
651.21301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.5
61.21793	0.6
70.06590	78.7
71.04961	0.6
73.02886	0.8
81.04556	0.8
82.05341	1.1
83.06106	6.8
85.02883	1.1
86.09711	5.2
93.04517	5.0
95.06104	3.4
97.02882	1.0
103.05495	1.1
110.07160	100.0
111.04421	0.7
118.68036	0.6
120.05600	0.8
120.08094	18.4
122.07128	4.8
123.09167	0.6
126.05525	1.2
134.07123	1.3
135.04356	0.7
136.08722	3.2
138.06619	1.4
138.12750	1.0
139.05002	1.6
141.10217	43.4
142.10559	1.0
145.02831	1.0
150.06578	3.7
151.08720	0.8
155.08156	1.4
156.07758	0.9
161.49188	0.6
162.10251	32.0
163.03886	3.7
163.10725	0.7
164.04231	1.1
164.08199	1.0
164.11855	0.7
166.06172	1.2
167.09282	28.0
167.11513	1.1
169.09717	52.8
171.13289	0.6
172.11247	1.3
178.06134	3.5
178.13394	3.9
186.12474	1.0
190.09747	6.6
191.11783	1.5
195.08716	5.6
195.11266	1.1
203.09296	1.0
205.10873	1.4
212.11945	1.1
217.10873	0.7
219.11203	0.7
220.12077	1.1
221.10321	0.6
224.30289	0.8
226.11842	6.9
233.14059	2.2
233.16559	2.7
235.11905	4.3
238.13045	3.1
243.14642	2.5
248.11371	4.6
249.09851	0.7
260.15018	0.7
261.13489	2.4
266.12503	1.7
266.15042	1.3
276.10928	1.4
288.14493	5.1
288.17270	0.8
294.11996	5.6
306.15524	0.9
316.16562	9.7
317.17221	0.9
325.09280	0.8
335.18210	14.2
361.20016	0.8
363.17728	17.6
364.18097	0.8
394.20825	1.0
401.25497	2.6
411.09256	0.7
429.24826	4.5
432.23431	0.8
460.23035	1.6
476.26251	1.9
503.27209	0.9
531.26831	2.4
597.34119	0.9
623.33160	2.2
650.34198	1.3
654.36078	2.1
678.33514	11.3
679.33795	1.1
763.42432	11.7
764.42401	1.0
773.40961	1.3
791.41840	60.9
792.42078	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	792.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03430	0.8
57.22987	0.3
61.02916	0.5
65.03935	2.7
67.05490	0.9
67.90401	0.3
68.99743	0.3
69.03419	3.6
69.39889	1.6
70.06567	1.6
71.04978	0.7
72.08143	0.8
73.02897	0.9
79.05460	0.5
81.03407	6.3
82.04179	1.1
84.08144	0.6
85.02902	8.1
87.00815	2.2
91.05461	1.4
93.03401	0.7
93.07040	2.4
95.04958	2.8
97.02876	3.2
97.06492	1.2
99.04436	1.4
105.01849	1.5
105.04517	0.6
107.04974	0.4
108.02085	0.5
108.04454	0.6
109.02875	3.9
109.06450	0.4
110.03642	1.5
111.04412	0.8
111.08076	0.7
115.08656	0.4
117.01765	0.4
119.59791	0.4
121.06499	2.6
123.04405	0.8
125.05991	1.0
127.03906	5.5
129.01831	0.5
129.10226	0.5
138.03119	1.2
139.07510	0.6
140.04666	3.5
142.02663	0.6
145.02878	0.4
145.04991	1.7
147.04292	0.3
149.05978	2.5
153.05423	1.7
155.07001	1.9
159.02866	1.7
163.03864	1.0
167.07068	1.8
171.06516	3.9
177.05373	0.4
181.04936	100.0
182.05292	1.6
190.05231	0.4
199.06003	5.8
213.03807	0.3
231.05011	1.1
265.07123	0.8
289.16443	0.4
307.07846	0.8
325.09180	5.2
343.10196	6.2
343.13998	0.6
411.09470	0.4
424.54071	0.4
429.10040	1.0
489.14859	0.7
509.16147	0.4
537.25446	0.4
726.72717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05023	0.5
68.05032	0.3
69.07059	0.3
70.06586	100.0
70.51252	0.5
71.00242	0.2
71.06924	1.0
71.67803	0.2
72.08151	2.9
81.15762	0.2
85.04034	0.7
85.54131	0.2
86.02318	0.2
86.09698	6.2
96.08134	1.6
98.06045	0.9
98.09689	2.0
98.53702	0.2
106.06531	0.3
109.07646	0.4
112.11234	1.3
113.07128	0.3
114.09155	0.4
115.05465	0.3
115.08688	1.8
117.05795	0.5
123.05521	0.3
124.07603	0.2
124.11272	0.6
125.07127	0.3
125.10739	0.4
126.05536	0.7
127.08665	6.9
130.06519	8.0
131.06841	0.3
132.08076	8.5
133.08437	0.2
137.07133	0.5
138.10289	0.2
138.12791	0.8
139.08640	0.3
141.10216	7.3
142.06525	0.8
143.11754	0.3
144.08061	1.9
147.07295	0.2
151.08661	0.4
153.10191	1.1
154.06552	0.4
154.09740	0.4
155.08142	13.7
156.08156	0.7
158.08394	0.5
158.09673	1.3
159.09163	59.0
160.07584	0.6
160.09509	1.1
165.06619	0.5
166.09830	0.3
167.11787	1.6
167.15530	0.4
168.08040	1.2
169.07596	1.0
169.09715	8.1
170.06026	1.1
171.09213	0.9
171.11346	0.3
172.10814	2.0
181.07605	3.3
181.09610	1.2
181.13394	0.4
182.08395	1.0
183.09172	3.9
183.14915	21.7
184.07698	0.2
184.11047	0.3
184.15292	0.5
185.10747	2.3
185.16545	0.7
187.08656	1.7
195.09369	0.3
195.11331	0.9
195.14915	1.9
195.16397	0.2
198.08583	0.2
198.10271	3.1
199.08685	0.5
201.10321	0.2
208.10852	0.4
209.07230	0.4
209.16495	1.2
211.12384	0.9
211.14391	15.6
212.10269	3.7
212.14755	0.4
213.10239	0.8
213.13914	0.2
213.15974	0.4
216.11311	2.0
223.14368	1.1
224.10217	1.4
226.09727	0.4
226.11803	2.1
227.08241	0.4
228.17108	0.3
230.12982	0.8
236.08286	0.3
237.16078	0.5
239.17601	0.2
241.09752	0.3
243.14525	0.2
244.10834	2.6
252.13550	0.8
255.14420	1.1
256.14685	0.3
258.12341	0.9
259.10907	0.4
264.17163	0.6
267.14642	0.2
268.14319	0.2
268.16949	0.3
269.13800	0.3
269.16367	0.3
270.12585	0.4
278.13037	0.3
280.16696	0.4
282.15970	0.7
282.18652	1.8
282.21591	0.3
283.13928	1.2
284.14157	0.3
284.17514	0.4
294.18069	0.4
295.15939	1.2
297.15991	0.2
298.12100	0.3
300.13495	0.4
305.14029	0.3
310.15576	0.6
310.21194	5.0
311.21722	0.3
313.16547	3.4
313.19775	0.2
315.14487	3.3
323.14783	0.2
325.13104	0.8
327.23938	0.5
336.22638	0.2
341.16074	8.8
342.16339	0.3
349.16245	0.2
353.21667	0.5
353.25684	1.9
358.18829	0.4
366.19174	0.6
367.17819	0.6
377.15793	0.2
381.24966	7.1
382.25482	0.5
384.20264	4.9
384.24838	0.3
394.18890	0.4
407.26706	0.4
410.22067	0.8
412.19748	17.2
413.20197	0.6
423.24014	0.5
424.29379	0.7
438.20700	1.0
452.28699	3.1
455.23969	2.0
465.22427	0.3
466.24420	0.5
478.29880	0.5
480.26273	0.8
481.25876	0.8
483.23355	6.8
484.24069	0.5
501.27429	0.2
509.24805	1.3
511.26837	0.7
522.31171	0.7
525.28302	0.3
526.28076	0.3
535.32800	0.7
537.28229	1.7
551.29602	0.5
554.31012	0.5
567.33044	0.6
582.30548	1.7
593.34424	2.3
594.33954	1.9
604.27246	0.2
606.36218	0.8
607.37006	0.3
622.33282	3.7
638.37640	0.4
650.37360	0.5
663.38495	0.3
665.37683	0.6
675.37805	0.2
679.35864	0.3
693.38141	2.7
694.40002	0.3
695.38837	0.4
721.40137	4.8
722.40210	0.3
734.81995	0.2
747.41772	0.4
748.45184	0.3
764.44482	4.7
765.44537	0.4
774.42786	1.2
792.44055	13.7
793.44202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	1.9
55.05511	24.3
57.03434	13.7
57.07076	4.6
61.02909	4.2
65.03932	4.6
67.05504	100.0
69.07063	18.2
69.09285	13.3
71.04982	2.0
77.03888	2.1
79.05122	1.3
79.05487	62.3
81.07055	87.1
82.07348	1.8
83.08623	7.2
85.02892	4.0
91.05478	35.1
93.07040	64.2
95.04962	9.3
95.08604	63.5
97.06522	3.5
97.10172	2.5
105.04516	3.3
105.07014	22.8
107.08595	34.8
109.10142	20.3
111.08091	2.2
117.07012	9.7
119.08583	20.0
121.10138	23.7
123.11679	9.9
131.08569	15.9
133.10124	18.1
135.11710	14.5
137.13258	3.0
143.08562	2.4
145.10075	9.9
147.11662	11.9
149.13225	9.4
155.08623	2.3
157.10103	2.6
159.11702	10.7
161.13234	5.5
163.14798	2.5
173.13229	9.1
185.13358	1.7
187.14912	2.0
221.32388	2.0
241.19482	3.2
243.21150	6.1
259.20575	6.9
261.22122	18.3
333.24283	4.0
335.25797	88.2
336.25842	3.6
337.27353	7.7
467.53378	2.1
595.47205	15.9
609.66602	2.3
613.47906	7.9
794.79187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
55.05509	15.5
57.03434	15.0
57.07071	2.4
59.34154	1.1
61.02938	2.5
61.91058	1.0
65.03931	2.6
67.05499	83.3
69.07062	19.8
69.09042	2.0
69.09432	7.9
71.04993	2.6
73.02918	1.6
77.03931	1.5
79.05486	50.1
81.07051	77.6
83.04962	1.2
83.08624	10.0
85.02919	3.2
85.06518	2.4
85.28368	1.1
91.03970	1.8
91.05474	26.3
93.07038	57.8
95.04966	6.2
95.08597	61.1
97.02883	1.5
97.06519	3.8
97.10162	4.2
99.04418	1.2
105.04527	1.8
105.07022	20.6
107.08591	32.6
109.06521	1.5
109.10149	27.5
111.08074	2.6
113.09688	1.0
117.07007	6.1
117.07750	1.3
118.51107	0.9
119.08569	20.7
121.10138	30.0
123.08073	1.3
123.11690	9.4
125.09641	1.6
129.07028	1.5
131.08556	15.8
133.10129	18.3
135.08060	1.3
135.11688	19.0
137.13248	3.7
143.08578	2.9
145.10124	11.9
147.11687	13.4
149.13231	13.8
151.14810	1.3
157.10170	2.4
159.11687	9.0
161.13222	8.6
163.14807	5.3
168.58057	1.1
171.11690	3.7
173.13269	8.9
175.14848	4.1
177.16405	1.7
185.13281	3.1
187.14815	3.3
189.16313	1.6
199.14821	1.5
201.16437	1.2
215.17964	1.6
231.21127	1.3
241.19553	2.5
243.21097	4.8
257.19101	1.5
259.20456	6.9
261.22116	17.7
265.21417	1.2
280.28201	1.1
305.78964	1.2
317.24725	3.4
333.24335	4.8
335.25766	100.0
336.26147	4.6
337.27234	8.5
375.72467	1.2
521.43475	1.3
595.47076	12.2
596.46973	1.6
613.48016	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	793.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10425	0.4
61.04700	0.4
69.03421	0.5
69.09448	0.4
69.22018	2.3
71.01376	0.4
71.05035	0.5
73.02932	1.3
83.01137	0.4
83.05007	0.7
85.02925	1.1
88.49911	0.4
91.05482	0.9
96.70219	0.4
97.02908	0.6
111.69185	0.4
127.58923	0.5
128.07156	0.5
135.04427	1.0
145.02881	0.6
151.07555	1.1
155.03252	0.7
163.03918	5.0
164.04231	3.3
164.05450	0.5
165.04475	2.2
166.04750	0.7
169.04762	0.7
177.05472	0.6
214.72856	0.4
219.06339	0.8
221.03070	0.6
301.08899	5.4
319.10117	1.7
327.09662	0.9
328.10147	0.5
335.11093	1.7
460.44336	0.5
481.16928	0.9
515.15295	8.8
533.14972	0.9
613.21100	1.3
640.20056	0.4
661.20673	2.6
733.44696	0.4
745.51764	0.5
793.25146	100.0
794.25470	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	793.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
71.04981	1.2
71.43563	0.6
72.08147	0.8
73.02898	1.6
81.03426	0.6
85.02921	1.9
85.82475	0.6
87.20840	0.5
117.03402	1.3
117.58123	0.7
121.06501	0.6
137.05992	1.3
145.02867	4.5
146.03165	0.8
147.03415	0.7
151.03963	0.7
163.03937	1.5
164.04382	1.0
168.58241	0.6
169.04825	0.9
177.05470	10.1
178.05803	3.9
179.06017	3.1
180.06242	0.8
181.04953	0.9
190.02995	0.6
195.06567	1.3
226.85884	0.6
265.09448	0.7
301.08893	5.8
319.10135	1.6
321.09381	1.4
326.17157	1.5
339.10797	0.7
341.11365	1.4
342.11636	0.7
467.15393	1.0
515.15100	7.5
516.16095	0.8
533.15027	2.8
567.07776	0.7
661.21222	2.8
793.25171	100.0
794.25482	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	793.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73110	0.8
67.05502	1.1
69.03433	1.0
69.07056	2.7
70.06614	0.7
81.07057	0.8
85.02877	1.3
94.06538	4.3
95.04966	1.2
99.75291	0.8
107.71240	0.8
108.08075	1.7
112.07576	1.3
120.04465	0.9
122.06019	15.3
134.06021	1.8
140.07048	28.1
144.04456	1.8
145.02751	1.3
145.05203	1.0
146.05972	11.3
148.07523	2.5
150.05652	1.0
162.05478	1.2
163.03883	2.3
166.45804	0.9
172.03941	12.6
173.04645	1.0
174.05478	13.7
176.07101	4.0
177.05426	2.0
178.08603	0.9
182.09685	0.8
190.04997	3.7
191.05685	0.9
192.06653	1.5
197.10788	1.7
199.12248	1.9
204.06531	28.0
205.06952	0.9
206.08104	7.9
209.10664	1.6
211.08673	1.6
212.09244	0.9
213.10081	0.9
221.10727	1.1
223.08627	1.1
224.09381	1.9
225.10197	4.6
227.11768	13.1
235.08664	0.9
237.10201	2.2
238.11073	1.8
239.11751	4.2
241.09636	2.7
249.10260	1.3
251.11720	3.7
253.09724	2.4
261.12323	1.8
263.11740	2.5
264.08984	1.2
265.09689	2.2
267.11273	1.3
269.12848	8.4
271.10696	4.0
277.09653	1.6
279.11249	3.2
280.12119	0.9
283.10712	7.7
284.11618	4.4
285.12277	5.1
286.12830	1.1
287.13867	25.9
291.11237	1.4
293.12839	1.3
297.12332	2.8
301.12149	2.5
309.12210	1.6
310.13028	1.0
312.15067	1.2
313.11749	27.2
314.12811	1.8
314.16284	1.0
315.13821	2.1
316.14462	5.2
316.17700	1.2
323.10419	1.6
323.14059	2.3
326.16754	0.9
327.17444	1.5
328.14490	2.3
329.11584	2.1
329.15268	2.5
330.12350	2.5
330.15991	3.8
331.12863	5.4
331.16751	6.0
332.17395	1.4
336.10974	1.9
337.11621	1.4
338.12375	1.1
342.12265	4.4
343.13113	3.2
344.14069	1.4
344.17584	4.1
345.14432	15.1
346.15134	1.3
346.19232	1.2
354.15973	1.5
355.13803	1.4
356.13876	5.2
357.14832	3.2
358.15344	6.6
363.15579	0.9
365.11890	0.8
367.13126	1.5
368.13535	2.2
369.14517	3.2
370.15491	4.8
371.16431	1.3
372.17148	5.2
374.18701	1.5
380.13571	1.3
382.11642	2.0
382.15967	1.4
383.12894	2.3
384.13235	9.3
384.16898	1.0
384.90161	0.8
385.14017	3.6
386.14426	5.1
386.18729	3.1
388.16351	1.0
390.18073	3.5
391.18652	1.6
398.14902	13.5
399.15744	23.5
400.16498	27.4
401.16858	1.9
402.14545	1.9
403.19177	1.1
412.16440	2.3
414.17899	4.2
416.16031	2.6
417.16748	6.1
418.17560	8.6
430.17447	2.8
431.18231	2.2
440.15720	4.8
441.16861	1.4
442.17026	0.9
444.15494	1.5
458.17032	21.3
459.17798	12.9
460.18567	3.7
475.16870	1.1
490.19427	5.5
491.20551	1.4
508.20770	1.7
510.22183	3.5
555.25641	1.1
557.23615	2.3
581.23950	5.5
599.24927	100.0
600.25281	7.5
614.24719	1.2
620.21387	2.3
621.22864	1.5
631.27429	8.9
702.63745	0.9
761.30109	2.9
793.36737	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	793.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98062	0.4
65.03934	0.9
67.05513	1.4
69.03418	0.9
69.07064	2.5
70.06589	0.9
71.44447	0.4
77.79378	0.4
85.02899	1.0
89.18881	0.4
94.06568	4.0
95.04986	1.0
95.43897	0.4
100.11263	0.7
108.08115	1.3
110.06071	0.6
111.07492	0.4
112.07648	0.8
116.04948	0.5
118.06516	0.5
121.05309	0.5
122.06024	13.9
123.04417	0.7
124.07639	0.4
134.06023	1.5
136.07634	0.4
140.07048	21.3
144.04463	1.4
146.06004	8.7
146.19945	0.4
148.07600	1.6
152.07098	0.9
162.05579	1.2
163.06281	0.6
172.03923	12.7
172.05324	0.8
172.07722	0.6
173.04739	1.2
174.05493	12.5
176.07066	4.9
177.05376	0.5
186.09109	0.7
188.07016	0.4
190.04964	2.6
191.05788	1.0
192.06516	0.6
197.10759	0.9
199.08665	0.5
199.12325	0.8
204.06546	25.3
204.53661	0.4
206.08115	7.3
206.09941	0.5
209.10846	0.5
210.09209	0.6
211.08714	1.4
211.12088	0.6
212.09465	1.3
213.10268	0.8
223.08696	1.0
224.09354	0.8
225.10287	4.7
226.10956	1.1
227.08331	0.6
227.11754	11.4
228.12300	0.6
236.09549	0.5
237.10214	1.7
238.11060	1.3
239.11700	2.4
240.12599	0.7
241.09729	1.1
241.13376	1.0
243.11385	0.6
249.10255	1.0
251.11900	1.9
253.09755	1.8
253.13246	0.7
255.11334	0.8
261.12381	1.0
263.08224	1.1
263.11749	0.6
265.09656	2.2
267.11325	1.5
269.12799	7.3
271.10681	4.6
277.09793	0.7
279.11203	1.3
281.09467	0.5
283.10751	7.7
284.11469	5.0
285.12234	4.6
287.13864	24.4
288.14447	0.9
291.11331	0.6
293.12955	0.5
295.10791	1.9
297.12320	2.4
299.11380	0.5
300.12009	0.7
301.12079	1.6
302.12906	1.1
312.15244	0.7
313.11777	21.2
314.12686	1.6
315.13794	0.9
316.14420	3.8
317.15305	1.0
323.10306	1.5
324.11166	0.6
326.16690	1.1
327.17593	0.7
328.14484	1.7
329.11658	2.0
329.15387	1.8
330.12408	1.8
330.16037	3.3
331.12900	5.1
331.16840	4.6
332.17542	1.3
339.13846	0.5
341.12415	1.0
342.12299	3.3
342.15643	0.7
342.16376	0.8
343.13077	2.3
343.16901	0.7
344.13773	1.4
344.17648	4.0
345.14386	16.1
345.18436	1.0
346.18958	0.5
354.16138	1.2
355.13409	0.6
355.17285	0.6
356.13831	3.2
357.14716	2.1
358.15451	7.5
363.15530	1.6
367.13068	0.6
370.12210	0.7
370.15585	3.0
371.16312	1.2
372.17126	3.4
374.18619	0.6
380.13821	0.6
382.11539	2.6
383.12689	1.3
384.13309	9.4
384.17538	1.0
385.13907	2.7
386.14462	3.6
386.18784	1.9
388.16568	1.1
390.18015	3.8
391.18796	0.6
392.19574	0.7
396.17191	0.7
397.14417	0.6
398.14978	11.8
399.15720	17.6
400.16513	24.9
401.16797	1.6
402.14523	1.6
412.16406	1.6
413.17175	0.8
414.18143	5.7
415.18750	1.4
416.15707	2.2
417.16901	5.4
418.17557	6.3
422.14658	0.6
430.17563	2.1
431.18213	2.8
440.15930	4.3
441.16568	1.1
442.17355	0.9
444.15698	2.2
458.10641	0.8
458.17072	17.7
459.17813	9.0
460.18219	2.3
490.19617	3.6
491.20367	1.4
492.21115	0.6
557.24182	1.8
581.23944	2.7
599.24945	100.0
600.25275	7.7
602.21771	0.6
620.22272	1.6
621.22906	1.0
631.27557	12.8
632.28186	1.1
743.28979	1.9
761.29742	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.5
62.57840	0.3
65.27926	0.3
67.05527	0.5
69.03493	0.3
69.48312	0.9
69.48661	0.7
81.03423	0.4
81.07044	0.5
84.96040	1.0
95.08602	1.2
98.97579	54.6
105.07004	0.6
108.30965	0.3
110.97559	2.0
116.98618	32.0
123.08074	1.0
124.99093	0.4
128.98608	2.0
133.06432	0.4
134.99654	10.8
143.00143	2.0
145.86136	0.3
146.99725	0.8
151.07558	1.0
153.00720	1.1
157.01717	6.9
158.99648	26.6
161.01146	1.6
167.00166	0.6
170.99663	1.2
175.02791	12.1
175.04298	0.7
177.00703	39.3
178.01004	0.4
181.01805	0.3
185.01248	1.7
189.00737	1.2
193.03836	1.2
195.01770	3.3
200.02325	1.1
201.00748	1.2
203.02255	0.5
207.03323	0.7
209.01218	6.6
217.03891	1.4
219.01755	15.4
225.04352	1.8
227.02266	11.8
237.02806	17.7
238.03297	0.4
243.05424	0.5
245.03336	1.8
249.04340	3.5
254.49864	0.4
255.03918	0.8
267.05399	13.7
268.05902	0.6
279.03860	3.2
285.03165	0.5
285.06433	4.4
297.04855	0.7
303.03757	1.9
309.06436	0.5
327.07458	1.7
329.05396	0.6
346.70032	0.3
347.18460	0.4
348.08716	0.4
387.09576	1.9
405.10641	8.3
423.07925	0.4
447.11731	100.0
448.12088	4.1
616.36682	0.4
735.23682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.04991	0.5
60.39308	0.2
61.02925	1.6
62.00958	0.2
69.03428	3.2
69.46294	1.0
71.01344	0.7
71.04985	4.3
73.02911	9.7
75.04472	0.3
79.05489	0.6
81.03430	0.8
83.04974	3.1
85.02897	8.5
85.03414	0.4
87.04457	0.5
89.03893	1.1
91.05475	0.3
94.06567	0.3
95.04957	0.5
97.02882	5.1
99.04453	0.6
106.06559	3.5
107.04887	0.5
109.02891	0.3
110.97675	0.2
111.04445	2.0
115.03916	2.3
117.03366	1.6
121.05222	0.2
122.05987	1.2
125.27005	0.2
127.03931	0.4
129.05489	2.1
130.06519	0.5
132.04459	0.5
132.06831	0.4
133.04968	1.3
133.07585	1.5
134.06009	1.2
135.04396	4.3
145.02834	3.3
146.06030	0.6
146.99742	0.3
147.06526	1.0
148.06239	0.3
155.04221	0.3
158.05997	0.5
161.07082	0.5
162.07866	5.0
163.03893	31.0
164.04202	0.7
172.07573	0.3
173.07123	0.7
174.07846	1.6
175.08656	22.6
176.07072	0.2
176.08987	0.8
181.04956	0.9
185.06943	0.5
187.08658	1.2
193.09712	100.0
194.10063	2.1
199.08650	0.4
211.02765	0.4
217.09727	1.9
218.99466	0.3
221.01189	0.3
225.07632	0.4
225.10182	0.4
229.03737	0.4
235.10742	5.1
237.00595	1.4
237.02782	0.5
237.10245	0.3
243.08545	0.3
253.09700	0.3
255.01714	0.7
259.10699	0.7
265.11813	0.6
271.04932	0.5
271.10736	0.8
285.12326	0.6
301.11682	1.2
303.13339	0.9
307.08090	0.4
319.12836	2.5
321.14420	0.7
325.09177	8.5
325.13712	0.9
339.15482	5.1
340.15488	0.3
355.14667	0.7
367.14731	0.5
373.08032	0.4
471.19873	2.2
517.10510	0.7
517.18091	10.5
518.18219	0.5
535.10535	0.3
649.22345	0.4
663.23639	0.8
795.20917	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	795.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03886	0.3
67.05492	2.4
67.48738	0.2
69.07037	0.3
69.29693	1.5
70.06569	0.2
79.05453	0.3
91.05449	0.4
93.05723	0.3
93.06996	0.4
94.06566	2.5
95.04916	0.4
95.08586	0.3
96.08105	0.3
108.08043	1.0
118.86906	0.2
120.04437	0.5
120.08067	0.6
122.06016	7.4
124.07548	0.4
134.05968	0.8
136.07570	5.1
138.09105	1.1
140.07034	1.2
144.08076	0.4
146.06035	1.2
146.09575	0.2
148.07555	1.1
152.07010	0.8
160.07489	0.3
162.05434	0.6
163.03838	0.4
164.05803	0.3
164.07060	4.6
166.08612	2.7
172.03920	0.4
172.07445	0.3
174.05476	0.5
174.09123	0.2
176.06990	0.4
181.04932	0.3
187.08562	0.3
190.05016	0.4
194.08080	0.5
199.08626	0.3
204.06509	0.8
210.11508	0.4
211.08363	0.3
211.12299	0.5
213.10184	0.5
220.11440	0.3
221.10721	0.8
222.11249	1.6
223.08597	2.8
223.12144	1.2
224.09119	0.3
224.11163	0.3
224.12950	1.2
225.10197	9.3
225.13828	0.9
226.10844	0.8
227.08191	0.3
227.11644	0.6
232.09938	0.3
233.10733	0.3
235.08444	1.3
235.12292	0.8
236.09326	1.7
236.13101	0.7
237.10225	3.9
237.13828	2.6
238.08627	0.3
238.10939	3.4
239.11749	4.2
239.15417	0.4
241.09700	0.3
247.12262	0.9
248.09096	2.2
248.13213	0.4
249.10139	4.4
249.13885	0.5
250.10944	7.7
251.08104	3.4
251.11740	17.7
252.08664	0.4
252.12560	3.7
253.09766	0.5
253.13309	1.4
254.10471	0.3
255.11250	0.5
255.14973	0.3
262.10880	0.7
263.08749	0.4
263.11771	12.8
264.12531	2.7
265.09808	2.0
265.13321	20.5
266.10513	1.1
266.13953	2.2
267.11276	0.8
267.14871	2.8
269.12811	0.8
271.14172	0.3
275.11771	0.9
276.10052	0.7
277.09650	1.1
277.12955	0.4
278.10489	2.8
279.11246	7.0
280.11899	1.0
281.09598	0.4
281.12842	3.5
282.13528	0.5
283.10803	5.0
283.14087	0.6
284.11319	0.3
285.12442	0.4
287.13916	0.3
291.11237	2.5
292.12048	0.7
293.09390	0.5
293.12784	6.5
294.10812	0.5
294.13675	0.7
295.10742	1.0
295.14322	0.6
296.11530	6.3
297.12323	4.0
298.13095	1.7
299.14108	0.4
302.78088	0.2
307.10907	0.3
309.12299	24.2
310.12994	3.1
311.13861	28.0
312.14355	1.5
313.11761	0.3
319.10825	0.8
321.12262	1.2
323.10297	0.5
323.13974	0.4
324.11057	0.5
325.11725	1.0
325.15399	0.5
326.12631	0.4
330.12204	0.3
335.14203	0.3
337.11765	7.1
337.14801	0.3
338.12494	2.0
339.13397	7.1
340.13980	0.3
341.14853	0.3
344.13931	0.7
345.14523	0.6
346.14529	0.3
351.13354	0.6
353.14957	0.6
356.13501	0.7
357.14432	1.0
358.15189	0.4
359.16333	0.5
360.16684	0.5
369.14420	46.3
370.15018	5.1
371.15982	54.7
372.16522	3.4
386.18604	0.5
387.15720	0.4
400.16632	0.5
401.16599	0.3
414.18060	1.4
416.19864	1.6
418.17615	0.4
420.18945	0.3
432.19177	4.4
441.92245	0.2
442.17416	0.8
460.18597	6.6
474.20074	0.9
478.20102	0.6
479.20453	0.3
480.21292	3.0
492.21249	100.0
493.21637	7.3
494.23056	0.5
510.22189	1.0
511.23047	0.7
512.23932	1.7
573.27100	0.4
601.26569	3.7
602.25983	0.3
615.27795	0.9
615.36371	0.3
633.29077	11.2
634.28986	0.9
640.24805	0.3
642.26318	0.8
672.27570	0.3
763.31158	0.6
795.33868	0.4
822.63232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29723	0.3
67.05477	0.4
69.13701	2.1
70.06601	3.6
71.06917	1.1
85.02921	0.4
93.07043	0.4
94.06541	0.4
95.08590	0.4
108.08120	0.9
110.07164	4.1
111.07500	1.5
111.91624	0.4
120.08080	1.0
121.08424	0.5
122.06007	1.2
124.07615	0.5
136.07558	1.8
138.09134	1.0
140.07065	0.7
141.10214	1.2
146.06030	0.9
146.09705	0.4
148.07611	0.4
152.06993	0.4
162.10233	0.8
164.07031	1.7
166.08604	2.3
167.09291	1.1
168.09589	0.7
169.09735	1.5
170.10042	1.0
171.10271	0.5
172.03923	0.4
174.05423	0.8
190.04951	0.8
204.06573	0.9
222.11563	1.1
223.08672	0.7
223.12277	0.4
224.12999	1.0
225.10297	0.7
225.13832	0.6
234.11447	0.4
235.08652	1.3
235.12292	0.4
236.09319	0.4
237.10147	1.6
237.13852	2.3
238.10838	2.2
239.11757	3.1
239.15491	0.8
240.12413	0.6
247.12465	0.4
248.10611	1.1
248.13063	0.5
249.10205	2.0
249.13850	0.4
250.10905	5.6
251.08005	0.8
251.11778	12.4
252.12563	3.1
253.13316	0.9
263.11780	2.2
264.09058	0.5
264.12573	1.1
265.10168	0.9
265.13342	21.2
266.10706	2.4
266.13934	2.0
267.11362	1.0
267.14932	3.6
271.14474	0.4
274.13794	0.3
275.11823	0.5
276.10052	0.5
277.09720	1.5
277.13388	1.0
278.10388	1.7
279.11276	4.9
280.11963	0.8
281.12857	1.2
283.10788	0.8
288.04993	0.4
291.11319	0.6
293.12796	7.5
294.13501	1.0
295.10873	0.9
295.14365	4.7
296.11621	1.9
296.14667	0.4
297.12250	1.1
298.10568	0.8
309.12320	4.5
310.12927	0.8
311.13879	28.0
312.14319	1.5
319.10779	0.8
321.12320	4.9
322.12790	0.5
324.10944	0.6
325.11945	0.6
337.11804	5.7
338.12570	1.4
339.13379	40.3
340.13879	3.4
353.15167	0.6
357.14658	1.7
369.14453	6.3
370.14917	0.6
371.15991	100.0
372.16412	3.8
416.19180	0.8
432.19257	1.1
433.65997	0.4
442.17422	0.5
460.18683	3.4
462.20532	0.5
478.19867	1.9
479.20432	1.0
480.21252	12.8
481.21472	0.9
492.21213	6.4
510.22437	1.8
511.23148	4.9
512.23944	5.5
513.24371	0.7
515.20081	0.5
533.20941	1.3
534.20782	0.4
557.27429	0.6
583.24963	0.7
601.17511	0.6
601.26514	8.8
602.26306	0.5
633.29156	7.4
640.21979	0.4
767.42511	0.5
794.42523	0.6
795.43018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73773	1.7
59.70771	1.6
67.05495	7.5
69.03419	3.2
69.07080	1.7
70.93335	1.8
81.03406	3.9
85.02895	3.2
91.05464	3.7
93.07057	2.3
94.06594	9.6
94.07093	1.7
97.02872	2.4
98.22626	3.6
108.08130	7.0
120.08076	3.9
122.06017	18.2
124.07623	2.3
127.03901	4.1
134.06020	2.2
136.07608	12.5
138.09140	2.4
140.07059	5.5
144.80321	1.9
146.06012	4.0
148.07574	9.5
152.07103	2.6
164.07076	7.2
166.08653	8.1
171.99562	1.9
174.05473	3.6
204.06580	2.9
206.08075	1.9
207.17088	1.8
208.09793	2.5
210.11494	2.4
211.08516	2.2
211.12160	3.0
213.10228	2.6
222.11482	4.9
223.08632	8.8
223.12320	5.7
224.12910	2.3
225.10187	21.9
225.11868	2.0
225.13914	3.6
226.10727	2.2
227.11754	4.3
235.08705	5.9
235.12270	4.6
236.09399	5.0
236.12982	2.2
237.10217	18.2
237.13870	6.9
238.10950	13.7
239.11789	18.0
240.12564	5.3
248.09262	4.2
248.13156	2.5
249.10147	17.1
250.10931	20.5
251.08022	10.0
251.11754	58.0
252.12485	15.9
253.13397	13.3
254.14034	2.2
255.11150	2.9
262.10956	3.3
263.11774	41.6
263.14563	2.2
264.12534	16.3
265.09799	15.2
265.13382	70.5
266.10547	7.0
266.14017	10.2
267.11255	5.9
267.14935	7.2
268.12045	3.8
269.12756	4.1
275.11728	4.6
277.09787	9.2
277.13260	2.8
278.10342	9.6
279.11279	33.8
280.12042	7.8
281.12817	8.5
283.10709	11.6
283.13721	2.0
285.12442	3.2
291.11261	14.3
292.12042	4.0
293.12811	33.8
294.13647	5.9
295.10718	7.0
295.14398	14.0
296.11649	10.3
297.12323	14.4
298.13150	5.3
299.13861	5.6
307.10843	3.7
309.12302	35.0
310.12943	9.0
311.13858	65.2
312.14566	6.7
313.15472	5.3
319.10748	4.8
319.14377	2.0
320.11340	3.4
321.12283	15.3
323.10327	3.1
323.13919	3.4
325.11780	2.7
337.11780	29.9
338.12408	9.6
339.13406	45.7
340.14218	2.3
341.15057	2.8
351.13403	8.1
352.14444	2.6
353.14978	21.7
357.14474	2.9
369.14456	38.1
370.15219	6.3
371.16006	77.2
372.16629	7.0
381.14493	3.5
383.16095	4.6
386.18884	2.7
400.16272	4.1
401.17059	2.8
411.15625	9.5
412.16190	2.3
413.17181	15.5
414.18121	6.6
416.19736	10.0
432.19189	11.9
433.12567	4.6
435.15283	3.8
437.17023	6.8
441.16718	2.7
442.17661	4.5
443.17844	2.5
453.16647	6.7
454.17615	2.7
455.18057	8.3
460.18695	42.8
462.20306	3.6
465.16241	4.6
471.17783	9.5
473.19174	15.3
474.20343	15.0
480.21246	41.5
481.15909	6.6
483.17542	15.2
492.21252	41.2
494.22809	4.2
497.19028	5.2
501.18713	4.4
513.18689	15.2
515.20300	35.0
516.20874	3.2
531.19568	22.3
533.21277	36.9
534.22314	18.5
542.22754	4.5
568.20880	4.5
576.23029	2.7
583.25018	4.7
586.21979	17.3
588.23694	4.0
594.23914	2.6
600.23364	17.9
601.26477	29.4
602.25787	3.3
604.22736	25.7
606.24408	3.1
615.27332	3.6
618.24310	31.3
619.24622	6.2
622.23962	22.4
624.25378	2.7
633.28735	6.2
636.25482	100.0
637.25464	8.6
640.21155	6.8
640.55457	2.3
654.26563	47.3
655.26630	10.9
672.24512	2.2
675.30951	2.2
709.27728	4.8
723.29199	5.7
727.28174	2.7
741.30542	5.0
777.33160	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34374	1.8
57.64421	2.1
67.05495	8.2
69.03403	4.0
69.11683	14.1
69.12033	3.0
77.35863	1.9
85.02902	2.0
89.89395	2.1
94.06554	7.3
108.08102	4.5
109.02901	2.0
120.08099	3.0
120.82094	2.0
122.06030	14.9
134.06000	3.6
136.07574	8.3
136.59068	2.0
140.07065	4.0
146.05997	5.5
148.07593	7.0
151.03917	2.0
160.07603	1.9
164.07076	4.1
166.08601	3.8
174.05571	3.0
177.31409	2.2
190.05029	2.7
204.06419	2.1
209.10692	3.1
211.08638	4.2
223.08638	7.8
223.12274	2.5
224.13049	3.4
225.10225	17.2
225.13892	2.6
226.10968	2.6
227.11804	5.0
230.70453	2.4
232.26674	2.5
235.08598	4.9
235.12262	3.8
236.09497	4.7
237.10161	11.8
237.13925	5.8
238.08783	2.5
238.10866	11.7
239.11769	16.0
240.12369	2.8
240.80611	2.3
248.09312	3.3
249.10178	13.8
250.10915	17.4
251.08148	6.2
251.11784	52.7
252.12434	9.9
253.13332	10.6
263.11798	33.3
264.12485	10.0
265.09808	9.7
265.13330	61.2
266.10434	3.1
266.13937	5.8
267.11148	5.0
267.14978	4.8
276.09869	2.4
277.09698	7.7
277.13065	3.2
278.10608	7.4
279.11319	28.1
280.11902	4.7
281.12808	7.7
283.10687	8.4
285.12140	2.4
291.11224	10.0
292.12006	2.5
293.09644	4.0
293.12753	21.5
295.10828	4.2
295.14404	6.3
296.11554	5.8
297.12201	12.1
298.12885	4.4
299.13846	4.9
307.10785	3.1
309.12323	17.6
310.12900	6.8
311.13864	40.2
312.14368	4.2
313.15546	5.0
319.10596	5.0
321.12302	15.3
337.11713	8.7
338.12491	4.3
339.13321	16.9
340.13962	2.1
351.13208	8.1
353.14896	22.1
357.14319	2.8
358.15326	2.4
369.14487	19.9
370.14951	4.3
371.16016	34.6
372.16931	7.2
381.14502	5.7
386.18567	2.0
411.15616	10.0
412.16620	2.4
413.16977	17.8
414.17694	6.0
416.19376	6.3
419.15851	2.3
432.18964	5.7
437.16986	3.1
440.15714	3.3
441.16788	4.1
442.17789	5.6
443.17755	2.7
447.14731	2.6
453.16400	6.1
455.18069	12.7
460.18756	11.9
463.14828	3.1
465.16010	4.4
471.17554	7.8
473.19009	14.1
474.20157	14.3
480.21210	11.8
481.16019	5.6
483.17783	13.3
492.21219	31.8
493.21466	3.1
494.22318	4.7
497.18915	5.0
501.19016	4.6
513.18451	22.6
514.19312	4.2
515.20313	40.1
531.19781	17.5
533.13568	2.7
533.21332	24.2
534.22119	23.6
535.22748	2.7
542.22174	3.8
568.20166	4.4
576.23163	4.4
583.25134	2.8
586.21765	16.5
588.23285	3.1
600.23596	13.1
601.25806	6.6
604.22687	20.3
606.24548	3.3
615.27460	2.7
618.24426	27.0
619.25116	3.4
622.24078	10.0
624.25610	3.3
633.29016	3.2
636.25446	100.0
637.25586	12.1
643.26532	2.5
654.26575	34.9
655.26825	5.2
656.27795	3.0
675.30310	2.6
709.28528	5.8
723.29651	4.0
741.30420	2.5
745.30804	2.8
747.63617	3.1
759.31366	2.2
777.32629	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	795.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05493	4.7
69.03397	0.6
69.07037	1.0
70.06563	0.5
71.00638	0.6
86.49127	0.4
91.05454	0.8
92.41635	0.4
93.07013	0.6
94.06567	5.3
95.04964	0.7
95.08592	0.6
96.04433	0.3
108.08095	1.9
118.06508	0.6
120.08070	1.2
120.08923	0.4
122.06016	13.6
124.07544	0.9
131.99457	0.4
134.05991	3.0
136.07555	9.8
138.09085	1.5
140.07039	2.3
146.05971	1.8
146.09560	0.8
148.07509	1.7
162.05513	1.0
162.09109	0.5
164.05753	0.6
164.07047	8.9
166.08617	6.4
172.07494	0.5
174.05528	0.6
174.09056	0.6
181.00270	0.4
190.04979	0.8
195.09099	0.6
196.11136	0.5
204.06505	0.6
206.08009	0.7
207.09055	0.5
209.10780	1.1
210.11362	0.9
211.08562	1.4
211.12260	1.2
213.10152	1.2
218.07950	0.7
220.09834	0.9
221.10707	2.5
222.09361	0.6
222.11244	3.2
223.08560	6.9
223.12003	2.8
224.10809	1.0
224.13045	2.0
225.10197	13.2
225.13680	0.7
226.08713	0.5
226.10776	1.1
227.11757	1.4
233.10678	0.5
234.11273	0.6
235.08521	4.0
235.12172	3.5
236.09297	3.3
236.12943	2.3
237.10179	11.1
237.13768	5.3
238.10870	6.6
238.14552	0.6
239.08133	0.9
239.11719	6.3
239.15439	1.2
240.12468	1.3
241.09692	1.2
246.11534	0.6
247.12335	2.5
248.09526	4.5
248.13263	0.5
249.10167	16.0
249.13875	1.0
250.10939	16.1
250.30594	0.5
251.08125	7.1
251.11752	34.5
251.49535	0.5
252.08789	1.4
252.12498	7.6
253.09770	1.2
253.13297	4.3
254.10387	0.7
254.13977	0.5
255.11140	0.7
255.14899	1.2
261.10361	1.3
262.10941	1.7
263.08643	1.0
263.11755	26.9
264.09088	2.2
264.12531	21.0
265.09741	13.1
265.13312	44.7
266.10413	4.2
266.14001	5.9
267.11288	2.2
267.14877	5.5
268.12012	0.9
269.09314	0.5
269.12787	1.2
275.11752	2.2
276.09995	0.8
276.12631	0.8
277.09717	7.7
277.13297	2.2
278.10339	5.9
279.11252	14.2
280.11923	2.2
281.09598	0.5
281.12802	7.9
282.13593	0.9
283.10767	8.7
283.14142	1.1
284.11371	1.1
285.12183	0.5
289.13284	0.9
291.11252	8.4
291.14206	0.4
292.12054	3.1
293.09460	1.0
293.12805	16.8
293.16183	0.8
294.10672	0.7
294.13589	7.4
295.10730	6.5
295.14322	4.2
296.11514	9.2
296.14700	0.3
297.12292	6.6
298.13177	2.0
305.09119	1.6
305.12537	0.6
306.09921	1.0
307.10434	0.9
309.12289	45.1
310.13000	6.7
311.13852	64.5
312.14343	3.6
313.11777	0.7
313.15311	0.5
319.10745	7.7
319.14191	0.5
320.11545	5.0
321.12268	11.5
322.12918	1.0
323.10196	2.0
323.13687	0.6
324.10989	6.7
324.14615	0.5
325.11725	4.1
326.12366	0.5
327.13425	0.7
330.16003	0.6
335.13879	0.6
336.14478	0.9
337.11777	48.0
338.12497	22.4
338.16644	1.0
339.13351	73.9
340.13763	3.9
341.15112	0.7
342.15887	0.8
344.13831	1.5
347.13428	0.6
348.14120	0.5
351.13150	0.8
353.15030	1.5
356.13733	0.9
357.14362	4.9
358.15341	0.9
358.19165	0.6
359.16257	0.8
360.17111	0.7
369.14413	56.3
370.14978	5.4
371.15976	70.3
372.16544	5.6
373.17828	0.6
376.15985	0.4
376.20322	0.6
385.17929	0.5
386.18857	2.2
387.16061	1.3
388.20251	0.9
399.16803	0.6
400.16721	0.9
401.28116	0.4
403.19064	0.5
404.20236	0.5
414.18030	4.7
415.16812	0.5
416.14328	0.7
416.19666	10.4
432.19156	17.5
433.19418	1.3
436.22046	0.8
438.79501	0.5
442.17566	4.9
444.19266	0.4
448.18417	0.5
452.21640	1.0
460.18622	100.0
461.18958	6.1
462.20306	3.1
478.19641	2.2
479.20294	0.8
480.21259	46.7
481.21399	2.6
492.21231	70.3
493.21597	4.8
511.22964	0.9
512.23615	0.9
557.27539	1.4
583.25055	2.1
600.25989	0.5
601.26495	33.1
602.27081	2.5
604.22498	0.8
614.26605	2.1
622.23944	0.8
624.25323	0.8
633.29144	2.0
640.24670	0.6
641.26038	0.9
642.26495	33.0
643.26697	2.8
654.18646	0.7
672.27228	1.3
719.32605	0.9
745.30487	0.7
763.31799	8.2
764.31891	1.0
777.40204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
61.02921	5.5
64.60095	1.0
67.05498	6.1
69.03438	3.0
69.06937	7.0
70.06593	12.2
71.05000	3.3
73.02914	2.5
79.05500	3.6
81.03407	3.0
81.07059	6.4
83.08603	1.0
85.02905	4.5
85.59420	1.0
85.97447	0.9
90.32619	1.2
91.03983	3.1
91.05494	3.7
92.65031	1.0
93.07045	3.0
95.08595	1.8
97.02905	4.9
97.06568	1.6
98.22678	2.2
99.04483	1.3
101.02396	2.4
105.07042	3.2
107.08643	1.7
119.08631	1.2
121.10177	2.4
123.11749	2.2
127.03901	1.3
132.67670	1.2
133.10155	2.9
157.92276	1.0
189.29900	1.3
204.41371	1.1
243.08490	3.3
279.39880	1.2
328.76334	1.1
333.20551	1.5
427.20059	1.5
453.20956	1.6
485.23700	6.9
551.28320	4.9
625.31903	1.6
795.44867	100.0
796.45123	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	796.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.04997	0.2
61.02919	0.9
67.81264	0.2
69.03419	2.6
70.12726	0.3
70.13091	0.3
71.01346	0.7
71.04987	3.4
71.17123	0.1
73.02911	6.5
75.04481	0.2
79.05503	0.4
81.03403	0.5
83.04976	2.4
85.02898	7.0
87.04447	0.3
89.03911	1.3
91.05471	0.2
94.06583	0.1
95.04970	0.3
95.44409	0.1
97.02880	4.2
99.04433	0.5
101.02395	0.3
103.03942	0.2
107.04941	0.5
108.05725	0.3
111.03753	0.2
111.04445	1.5
115.03914	1.5
117.03368	1.3
117.05738	0.2
118.35954	0.1
121.06483	0.4
127.03900	0.6
129.05475	1.7
133.05022	1.3
134.06044	0.3
135.04413	4.0
135.06764	1.9
136.07529	0.2
139.03909	0.3
145.02847	3.5
147.06528	0.9
149.04718	1.0
160.03871	0.2
161.04730	0.8
162.05464	0.5
163.03886	37.9
163.06204	1.9
164.02151	0.1
164.03235	0.2
164.04350	0.4
164.07039	0.3
169.04961	0.2
176.07034	2.3
181.04996	1.1
194.08107	100.0
195.08453	2.1
225.07582	0.4
243.08582	0.3
261.09622	0.2
307.08121	0.4
325.09155	8.9
326.09302	0.4
356.13461	0.2
503.02719	0.2
518.16602	1.3
590.25336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.1
58.92443	0.2
70.81984	0.4
72.98170	0.2
79.27821	0.2
84.08141	63.8
85.02896	0.6
85.08477	0.6
91.03934	0.5
96.36958	0.2
119.61364	0.2
130.08638	100.0
131.09012	1.4
137.27827	0.3
139.42699	0.2
145.04944	0.3
163.06009	0.8
292.57898	0.2
325.11176	0.3
353.05325	0.2
720.06500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.8
59.04982	1.2
61.02917	4.4
67.05502	1.1
68.77668	0.8
69.03425	12.5
71.01347	4.0
71.04631	1.2
71.04990	12.9
73.02911	41.5
75.04456	2.2
75.87229	0.8
76.77222	0.7
79.05489	1.8
81.03416	3.6
83.04972	11.5
85.02898	28.7
86.03275	0.8
87.04451	2.2
89.03899	4.2
90.84033	0.7
91.05479	1.7
93.05776	0.8
94.06595	1.3
95.04950	1.9
97.02888	18.4
99.04440	2.9
101.02382	1.3
103.03938	1.5
106.06553	1.5
107.04951	2.0
109.02859	1.7
109.06509	1.4
109.41046	0.8
111.04444	5.3
115.03915	8.1
117.03365	12.7
119.04897	0.8
121.06490	1.0
122.06020	4.7
123.04422	1.5
124.07586	0.9
127.03898	2.4
129.05460	6.1
133.04948	4.1
134.03661	0.9
134.06036	5.4
135.04387	1.4
136.07573	5.4
137.06023	4.7
139.07483	0.9
145.02835	44.3
147.06491	3.3
149.05927	5.4
150.05490	28.2
151.06282	8.4
152.07063	13.5
153.05475	6.7
157.04933	0.8
162.05482	1.4
163.03848	4.2
164.07054	10.6
165.05472	12.2
166.08629	22.8
168.06557	1.3
171.06505	0.8
177.05455	100.0
178.05783	1.6
179.08176	1.5
182.08115	54.6
183.08705	1.1
184.09622	1.1
189.36092	0.7
194.08096	10.8
195.06531	3.1
212.09235	1.0
225.07570	1.3
243.08533	0.8
279.08609	1.3
310.12994	0.9
314.12256	1.0
321.09702	1.2
328.13736	4.1
339.10715	13.2
353.12515	1.3
460.18326	1.7
520.18103	88.9
521.18445	4.7
652.21967	1.2
666.23883	10.2
798.28271	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	798.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	0.9
57.03435	9.8
59.04982	1.0
61.02920	4.3
67.05499	1.1
69.03429	10.8
71.01349	2.9
71.04997	13.4
73.02914	36.9
75.04472	1.1
79.05498	1.5
80.05013	0.9
81.03420	3.0
83.04977	10.0
85.02902	30.5
85.03418	1.6
86.03202	0.8
87.04463	1.7
89.03899	3.9
91.05474	3.4
93.05773	2.4
94.06542	1.4
95.04949	2.3
97.02887	13.8
99.04458	4.9
103.03925	1.5
106.06548	2.5
107.04942	4.3
109.02879	0.9
109.05302	0.8
110.06019	3.3
111.04445	7.4
115.03920	8.8
117.03374	12.0
117.05531	0.9
119.04969	2.1
121.05247	6.0
121.06519	1.4
122.06049	2.4
124.07590	7.0
125.06017	0.9
127.03909	1.2
129.05466	7.2
131.03395	0.8
133.02875	2.4
133.04968	5.5
134.03674	1.1
134.06000	1.0
135.04427	1.9
135.06802	1.5
136.07567	43.6
137.06015	1.4
138.05510	3.8
138.09149	3.0
139.06244	1.8
145.02840	37.1
147.06511	4.0
149.05975	4.5
151.06276	19.8
151.07509	1.2
152.07056	14.3
152.08203	1.1
153.05481	1.9
157.05078	0.7
162.05508	0.8
163.03911	7.0
164.07059	87.0
165.05495	1.7
165.07419	1.9
166.08626	49.3
167.05774	1.3
167.09019	1.1
168.06598	1.0
169.98650	0.8
171.06601	1.1
174.07706	1.0
176.07022	4.2
177.05460	100.0
178.05827	2.3
178.08693	0.8
182.08121	60.7
183.06711	1.1
183.08713	2.5
184.09657	3.7
185.13374	1.1
190.08621	0.8
194.08122	37.3
195.06534	3.4
195.08467	1.6
196.04317	0.7
196.09613	0.9
199.06088	0.8
206.08151	2.7
208.09724	1.4
212.09178	12.8
224.09261	1.6
225.07661	1.5
232.09651	1.4
236.09216	2.4
246.11353	0.7
248.09167	3.0
292.11942	1.1
308.11279	2.1
310.12912	3.2
314.12305	1.7
321.09628	1.9
326.12317	1.0
328.13898	6.3
339.10712	31.0
343.32687	0.8
442.17136	1.5
452.66364	0.8
460.18021	1.2
488.11090	0.8
512.24622	0.7
520.18109	11.4
521.18793	1.1
549.76093	0.8
666.23846	1.7
798.27002	1.3
799.29150	0.9
807.91193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.04980	0.3
61.02928	2.1
65.03928	0.9
67.01876	0.5
69.03422	5.1
71.01333	0.9
71.04990	6.0
73.02913	14.0
75.04474	0.5
81.03414	3.7
83.04975	5.7
85.02901	11.7
87.04456	0.7
91.05476	14.1
95.04980	0.6
97.02888	7.7
99.04456	1.8
103.03964	0.4
107.04921	0.5
109.02863	5.7
111.04432	3.2
115.03922	3.5
115.05443	0.6
117.07033	0.6
119.04934	15.6
121.02867	2.4
127.03920	5.7
129.05455	2.4
133.04970	2.0
133.06491	0.4
143.04889	0.9
145.04953	0.4
147.04396	100.0
147.95357	0.3
148.04727	1.8
151.03847	0.5
161.05878	0.4
163.03815	0.3
165.05487	7.6
171.06650	0.3
173.05981	0.3
177.05470	0.8
209.09705	0.6
211.07635	0.4
213.03975	0.8
225.07538	0.7
229.08575	0.4
231.04965	0.6
261.09723	0.8
291.08725	1.0
356.19003	0.3
377.08640	0.7
395.09705	39.0
396.10083	1.3
403.05283	0.4
457.20959	0.3
485.14127	2.4
710.26965	0.7
749.40985	0.4
754.25818	0.6
798.24451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.442
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03417	71.6
95.04965	100.0
101.64381	27.0
123.08065	59.1
150.20946	28.3
191.14314	67.3
209.15495	28.4
214.62456	25.7
221.16365	28.3
313.17978	64.2
331.19006	93.6
363.23907	26.4
391.21228	49.2
646.26154	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	798.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43787	50.8
87.74770	37.8
94.04585	37.5
95.04968	64.9
105.07005	59.5
133.10069	92.6
191.14302	67.3
214.23235	50.3
313.17896	100.0
334.15259	42.4
438.93951	46.9
812.67792	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	2.5
76.63337	0.3
81.07072	0.4
82.10513	0.3
98.88748	0.3
120.08112	0.6
121.34162	0.3
128.01311	0.3
137.05972	0.4
141.10207	1.3
147.04359	0.5
163.03838	0.4
169.09697	1.5
176.11461	0.4
177.05455	0.8
226.11830	0.7
241.07487	0.5
247.59544	0.3
419.14642	100.0
420.14996	6.1
425.17987	0.4
536.12628	0.3
586.15643	0.4
692.43500	0.4
799.32031	0.5
829.96112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78342	0.3
57.03425	1.3
61.51576	0.3
69.03430	1.5
71.01369	0.3
71.04980	0.8
73.02882	0.3
75.04468	0.3
81.03410	1.0
83.04978	1.3
85.02906	4.7
89.03922	2.5
91.05502	0.3
97.02892	4.2
98.22675	0.6
99.04469	0.4
101.02361	0.4
101.40732	0.3
111.04423	1.4
113.02369	1.3
117.03377	8.6
127.03889	0.4
129.05438	0.4
131.03389	0.7
133.82831	0.3
134.03584	0.6
135.04384	0.7
145.02843	35.4
146.03204	0.6
149.05972	3.1
151.03825	0.5
151.07515	1.0
163.03864	0.8
164.11876	0.3
169.20465	0.3
177.05464	100.0
178.05843	2.5
179.06958	0.4
195.06566	1.5
211.97501	0.3
215.05568	0.4
217.09129	0.3
226.26875	0.3
277.10602	0.4
321.09711	0.4
339.10742	20.9
340.11200	0.7
344.88254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.8
61.02942	0.6
63.02382	0.9
65.03940	4.6
67.05499	5.8
69.03421	3.8
69.07067	1.6
69.36110	3.3
74.05762	0.6
79.05486	2.6
81.03410	1.4
81.07063	5.5
83.04988	5.6
83.08601	3.3
85.02902	1.8
85.06544	2.1
87.00808	0.8
87.04470	1.6
89.03912	4.7
91.05481	3.2
93.03388	3.8
93.07060	3.9
95.04969	3.1
95.08608	2.3
97.02892	44.8
97.06524	1.7
97.10166	0.7
99.04441	1.1
105.07023	7.2
105.34750	0.6
107.08594	8.9
109.02866	1.6
109.06517	3.4
109.10155	10.9
111.04435	1.9
111.08053	0.8
114.58373	0.7
117.03374	16.1
117.06969	0.8
119.08592	4.0
121.02861	1.2
121.10143	6.1
123.08035	2.2
123.11711	3.9
125.05987	1.1
125.09647	1.4
127.03925	1.2
129.05440	0.8
129.06995	3.2
131.08562	4.1
133.10127	24.7
134.03656	0.9
135.04416	1.5
135.08035	3.8
135.11653	1.0
137.09633	0.6
139.05441	1.0
139.11099	0.6
141.07004	1.1
143.08559	1.0
145.02846	49.2
145.10141	1.8
146.03128	0.8
147.11696	2.1
149.02315	3.8
149.05971	4.2
149.09662	1.6
149.13248	3.4
151.03908	1.4
151.11171	4.7
153.09071	1.0
157.06487	4.1
158.10910	1.8
163.03918	1.2
163.14867	0.9
165.12755	3.1
167.03406	21.4
167.04839	1.2
167.14322	5.2
169.06529	1.4
173.13255	7.6
174.06749	0.7
175.14766	2.9
177.05466	100.0
178.05734	1.9
181.04901	0.9
184.05229	0.9
185.05943	1.4
187.07550	1.2
189.05432	2.8
189.09117	3.7
191.12581	0.8
191.14291	12.1
199.07524	2.5
207.06461	1.4
209.15356	25.8
211.36183	0.6
217.08601	3.7
227.07057	2.7
245.08099	5.7
273.07642	2.0
291.08633	18.1
309.09744	4.4
345.08246	0.9
509.68353	0.7
557.15002	4.8
598.66235	0.6
693.78760	0.7
712.94336	0.7
737.23547	1.0
745.77142	0.7
778.76428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
57.07063	0.3
65.03934	3.7
67.05498	2.6
69.03426	2.7
69.07051	1.0
69.48561	1.0
69.48965	0.8
70.06577	0.5
71.04982	0.4
73.02908	0.5
73.06542	1.1
79.05478	4.2
81.03398	3.1
81.07053	2.6
82.03761	0.4
82.04187	1.4
83.04972	1.0
85.02891	5.6
87.00811	1.9
91.05468	2.2
92.04919	0.4
93.03389	1.3
93.07042	3.1
95.04966	2.5
95.08582	2.2
97.02895	1.8
97.06523	2.0
98.23380	0.7
99.04430	1.0
105.01854	1.0
105.04459	0.6
105.07018	3.8
107.04955	2.9
107.08569	3.4
108.02079	0.6
109.02875	1.9
109.06514	2.3
109.10130	1.5
110.03664	2.1
111.04408	0.8
111.08065	0.5
117.01842	0.6
117.07004	0.7
117.30112	0.4
118.97108	0.3
119.08572	4.9
121.06477	0.4
121.10135	19.7
123.08058	1.2
123.11654	1.0
125.05956	2.0
127.03909	3.7
127.07572	0.5
128.06194	0.4
129.07014	0.7
131.08540	1.6
133.06494	0.4
133.07501	0.4
133.10123	3.2
135.08046	0.4
135.11681	1.1
137.09572	0.7
138.03093	1.4
139.11186	1.0
142.02640	0.9
142.07666	0.5
143.08542	2.0
145.04939	0.9
145.10132	2.9
147.08008	0.6
147.11688	1.9
147.12827	0.4
149.09624	1.0
151.11230	0.3
153.05449	2.6
155.08508	0.8
156.09290	0.5
157.10147	2.6
159.02835	0.8
159.11664	2.5
161.09587	1.6
161.13243	1.2
163.03964	0.4
163.11198	0.7
167.08522	0.4
169.10094	1.4
170.10983	0.4
171.06516	5.4
171.11629	2.3
173.09641	0.6
173.13303	2.1
175.11116	1.0
175.14780	3.0
177.05463	0.5
179.14035	0.4
181.04936	100.0
182.05241	2.1
183.11673	1.0
185.13243	2.2
187.14833	0.4
189.12761	0.6
189.16316	0.4
191.14322	2.1
193.15897	3.3
195.11702	0.5
197.13133	2.0
199.05986	0.4
199.14812	1.1
201.12752	0.4
201.16345	1.0
203.14267	3.4
209.13266	0.7
211.14804	2.6
211.16867	1.5
213.16325	0.8
215.14333	1.0
215.17946	0.4
217.15904	1.0
221.15353	2.0
223.14795	0.6
225.16267	0.7
227.14322	1.0
227.17873	1.3
229.15829	1.4
229.66609	0.3
231.04915	0.7
231.17384	0.4
239.16353	1.5
241.15688	0.7
241.19556	0.4
243.17491	0.4
245.18970	0.5
247.16983	0.4
255.21030	1.2
265.19498	2.0
282.95337	0.3
283.20547	10.5
301.21579	13.7
302.21936	0.6
307.11731	7.6
308.11963	0.4
319.22620	9.1
319.26157	0.7
320.22882	0.6
321.03448	0.4
337.23666	0.6
355.01367	0.4
429.09973	0.7
463.24503	0.4
481.25610	1.4
499.26886	6.7
500.27335	0.6
508.93204	0.4
517.27985	10.1
518.28113	0.4
549.26440	0.7
722.45959	0.5
747.31750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
61.02907	0.4
65.03938	0.9
67.05501	0.7
68.99791	1.4
69.03421	3.7
69.62245	1.0
69.62627	0.8
71.04993	2.7
73.02914	3.5
77.03883	0.4
79.05490	1.4
81.03400	1.8
83.04971	2.0
85.02895	7.2
89.03910	3.0
91.05473	1.2
93.03397	0.7
95.04968	2.1
97.02891	6.6
97.06535	0.6
97.25836	0.4
99.04448	0.8
101.82717	0.4
103.05447	1.2
105.03404	0.5
107.04931	2.3
107.41917	0.4
109.02869	1.1
109.06541	0.8
110.03666	0.7
111.04449	3.3
113.02363	0.8
115.03891	0.6
117.03379	4.5
121.06518	1.1
123.04417	4.8
124.04783	0.4
125.05983	21.7
127.03925	0.5
129.05476	1.3
131.03383	0.6
131.04903	3.4
133.02852	0.8
135.04404	10.7
137.05965	5.4
138.03206	0.7
139.03897	1.2
145.02853	8.5
147.04463	0.3
147.06529	0.6
151.03909	9.9
152.04610	1.4
153.05457	44.4
154.05824	0.9
163.03891	100.0
163.07550	1.6
164.04204	1.7
165.05467	10.6
166.05772	0.4
167.07021	6.9
173.02083	0.4
177.05486	1.4
181.04955	1.6
183.06517	51.7
184.06909	0.9
243.82246	0.4
307.08231	1.0
325.09146	19.1
326.09384	0.5
424.82547	0.4
507.14819	1.2
581.54828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.8
61.02912	0.4
63.02369	0.4
63.49191	0.4
65.03946	0.6
66.67857	0.4
67.05495	0.7
68.16518	0.4
68.99766	0.8
69.03414	3.4
69.78188	1.0
69.78539	0.6
71.04980	1.7
71.09040	0.4
73.02912	2.7
79.05483	1.3
80.87266	0.4
81.03414	1.2
83.04961	1.8
85.02890	8.0
89.03901	2.6
91.05469	1.1
93.03426	0.5
93.07079	0.6
95.04980	2.3
97.02881	7.2
97.06519	0.8
98.23401	0.5
99.04417	0.6
103.05465	0.7
105.03410	0.6
107.04974	2.0
109.02863	0.9
110.03650	0.5
111.04429	3.8
115.03906	0.7
117.03381	3.0
119.04919	0.5
121.06457	1.1
122.06061	0.5
123.04413	5.0
124.38638	0.4
125.05981	23.0
127.03909	1.2
127.89200	0.4
129.05467	0.8
131.03374	0.6
131.04915	1.0
133.02849	1.3
135.04407	9.0
137.05963	7.9
138.05449	0.6
139.03882	1.3
141.45351	0.4
144.51248	0.4
145.02841	8.1
147.06511	0.6
149.05960	0.6
151.03896	10.6
151.04967	0.6
151.06270	1.0
151.07442	0.6
152.04654	1.8
152.06961	0.5
153.05449	46.4
154.05804	1.2
162.05487	0.4
163.03885	100.0
164.04257	2.0
164.07011	0.6
165.05450	9.1
166.08609	1.8
167.07024	9.7
168.06548	1.3
177.05466	1.4
181.04974	1.9
182.08134	1.2
183.06509	67.3
184.06850	1.4
184.09674	6.8
190.08571	0.5
194.08028	0.4
196.09731	0.5
200.09128	0.8
208.09598	0.7
217.79625	0.4
219.62035	0.5
226.10693	1.0
233.08134	0.7
250.10789	0.7
307.08026	1.4
311.11502	0.5
312.14301	0.8
323.07513	0.6
325.09152	20.9
326.09439	0.9
356.48105	0.4
507.14709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95751	0.2
57.03436	2.7
59.04992	0.3
61.02926	1.3
63.02358	0.3
67.05502	0.2
69.03426	4.2
71.01350	1.0
71.04987	5.4
71.15427	0.2
73.02912	9.7
75.04472	0.4
79.05485	0.6
81.03411	1.0
82.01897	0.2
83.04975	4.1
83.05468	0.1
85.02898	10.6
87.04459	0.8
89.03912	2.3
91.05466	0.3
95.04958	0.6
97.02884	6.5
97.06512	0.2
99.04444	0.6
101.02372	0.3
103.03932	0.6
105.03389	0.3
107.04937	1.1
109.02888	0.6
109.06509	0.3
111.04444	2.7
112.32340	0.2
113.02406	0.2
113.05943	0.2
115.03924	2.8
117.03381	3.3
121.06506	0.2
123.04430	1.8
125.06006	0.8
127.03880	0.9
129.05479	3.2
132.04427	0.4
133.02844	1.1
133.04959	1.3
133.96495	0.2
135.04411	8.7
137.05951	1.1
139.03871	0.6
139.04865	0.2
145.02843	6.8
147.06496	1.9
149.05923	0.2
150.05495	1.6
151.03891	2.4
152.04691	0.4
153.05466	3.5
161.05917	0.2
163.03889	100.0
164.04218	1.7
165.05499	1.3
167.07027	1.4
168.06583	1.2
169.04965	0.3
171.06549	0.5
175.03902	0.6
175.07620	0.2
177.05360	0.3
179.07169	0.3
181.04926	2.2
183.06508	3.6
184.06078	0.2
189.05408	0.2
193.04871	0.3
195.06540	0.2
200.09018	0.2
201.17369	0.2
207.06557	1.9
219.06499	0.5
225.07532	1.0
231.06618	0.3
233.08095	0.2
243.08614	0.6
249.07529	0.5
261.09747	0.4
265.07031	0.3
273.07584	0.3
275.09277	0.2
279.08371	0.3
291.08566	0.4
293.10101	0.6
295.08011	0.5
300.85760	0.2
307.07980	0.8
309.09589	0.7
311.11270	0.6
314.12326	0.2
325.09155	20.2
326.09506	0.7
489.13895	0.9
492.15109	0.3
686.46027	0.2
770.68573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
65.03928	0.6
67.05495	0.3
69.03436	1.7
69.24633	0.4
69.25035	1.0
71.04964	0.4
73.02900	0.5
77.03909	0.4
78.96815	0.2
79.05484	0.9
81.03412	6.3
81.07050	0.5
85.02900	3.4
87.00835	1.4
91.05476	1.7
94.04177	2.1
95.04960	0.6
95.93227	0.2
97.02893	2.0
99.04460	0.6
103.05463	3.9
105.01862	0.5
105.03399	0.4
105.07050	0.6
107.04945	0.7
107.08588	0.4
109.02868	1.3
109.06551	0.9
109.10133	0.3
111.04428	0.4
115.05441	1.5
117.01862	0.3
117.07009	0.8
119.04957	0.5
121.06492	0.5
122.03647	5.0
125.05950	0.3
127.03886	1.4
128.06236	1.1
129.05504	0.3
129.06993	3.2
131.04916	8.4
131.08548	0.6
133.06458	0.4
135.04411	0.3
135.08069	0.4
137.05966	100.0
138.06305	1.7
143.04919	1.8
144.05685	0.5
145.02852	0.6
145.04964	0.4
145.06505	1.4
146.03647	0.5
147.04393	0.6
149.05965	0.7
151.03906	4.6
151.05026	0.6
151.07532	2.3
153.05457	0.5
155.06056	0.5
157.06483	3.0
159.02869	0.5
159.08061	0.3
160.05193	2.7
161.05989	2.2
163.07532	15.2
164.07973	0.4
165.06929	0.4
171.08075	0.4
172.05200	0.6
173.40353	0.2
174.06749	1.2
175.07536	18.9
176.07907	0.5
177.05544	1.8
177.09082	4.5
179.07094	0.4
181.06497	0.4
185.05965	0.6
187.07523	8.1
188.08092	0.7
189.09068	3.4
191.07022	0.5
195.08009	0.5
199.07535	2.2
201.09161	0.9
201.79111	0.3
203.08604	0.5
205.06657	0.6
205.08589	10.9
206.08849	0.3
210.91235	0.2
211.07507	0.7
213.09079	1.8
217.08556	3.1
217.10454	0.3
221.05864	0.4
223.07291	0.3
225.09081	0.5
231.08040	0.7
231.10121	0.4
235.07362	0.3
235.09621	4.3
237.08981	0.4
245.03473	0.3
245.11789	1.2
249.11183	0.5
253.08635	0.3
255.10127	0.4
258.10837	0.2
259.09851	0.3
261.08911	0.4
263.10641	0.4
265.08548	0.5
267.10165	0.7
268.07220	0.3
273.08939	0.3
274.09979	0.3
275.10538	0.5
277.08432	0.3
281.08206	0.3
282.08838	0.3
283.09720	0.8
285.11417	1.5
289.08514	0.3
291.10165	0.8
291.72681	0.3
292.10876	0.3
297.11389	0.5
299.12851	1.8
303.10181	0.4
305.11649	0.6
307.09732	0.3
308.10452	0.3
309.11163	0.5
317.11801	0.4
320.10406	0.4
321.11212	0.6
323.12814	1.9
333.11142	0.5
335.12692	2.1
337.14352	1.3
341.13873	0.4
347.12756	0.8
349.14331	2.3
351.16010	0.4
353.13705	1.3
359.12726	0.3
361.14163	0.7
365.13760	1.0
379.15515	1.8
383.14825	0.3
397.16428	1.9
418.13947	0.4
432.15396	0.7
447.83914	0.3
449.75131	0.3
459.17987	0.6
473.19601	0.9
485.19513	1.1
489.19156	1.5
501.19049	0.8
503.20566	2.9
504.20853	0.3
507.20358	0.6
519.19910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.05000	0.2
61.02930	0.7
63.02354	0.3
63.67883	0.2
69.03063	0.2
69.03420	3.3
70.99316	0.2
71.01333	0.5
71.04983	3.4
72.17133	0.1
73.02910	6.1
75.04488	0.2
78.04692	0.1
81.03411	0.7
83.04973	2.4
85.02895	7.3
85.03413	0.3
87.04452	0.4
89.03900	2.0
91.05476	0.2
95.04967	0.3
97.02252	0.3
97.02881	5.1
98.22803	0.1
99.04459	0.5
101.02366	0.2
103.03957	0.2
106.04138	0.1
109.02873	0.3
111.04423	1.2
114.42995	0.1
115.03910	1.8
117.03369	8.1
119.04932	0.2
127.03867	0.6
129.05455	1.8
130.59222	0.1
133.04921	0.9
134.03624	0.4
135.04384	0.6
139.03854	0.2
145.02831	34.4
146.03169	0.6
147.06543	0.9
149.05949	2.7
151.07462	0.7
162.03163	0.2
163.03900	0.5
165.09067	0.2
177.05446	100.0
178.05786	2.2
179.07039	0.3
181.08614	0.2
186.05475	0.3
193.08563	0.3
195.06503	2.0
207.06398	0.2
225.07556	0.6
243.08638	0.3
258.03119	0.1
259.09598	0.3
277.10501	0.2
287.09125	0.3
296.13409	0.2
305.10406	0.3
309.09763	0.6
321.09625	0.6
323.11160	0.6
339.10699	25.8
340.11029	0.9
462.14835	0.2
485.16174	0.3
552.43933	0.2
742.18616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.2
67.05510	15.5
69.07077	5.5
70.30894	7.0
81.03409	43.5
81.07054	5.1
91.05429	3.6
93.07043	15.4
95.04970	67.5
95.08599	10.0
105.07038	8.8
107.08606	16.7
109.06509	12.8
119.08562	16.4
120.07295	3.7
121.06535	12.9
121.10138	47.0
123.04433	18.0
123.08067	23.7
131.08560	5.7
133.10168	9.8
135.08101	4.7
135.11717	11.7
140.60011	4.3
143.08557	4.9
145.06508	6.7
145.10100	10.0
147.08060	8.6
149.09613	4.7
157.10092	5.4
159.11655	9.8
161.09595	8.1
163.11169	58.5
169.10197	4.8
171.11717	6.8
173.13278	7.4
175.14821	12.3
177.12781	11.0
185.09718	4.9
193.15933	17.1
197.13187	6.2
199.11176	3.9
203.14244	6.7
221.15363	12.9
229.15720	4.4
235.50818	5.1
240.44684	4.3
267.61096	4.0
269.19055	7.2
279.17410	5.1
297.18488	28.3
315.19498	82.0
333.20590	63.3
375.21652	100.0
495.81516	5.2
720.87616	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	802.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
65.03918	1.2
65.86947	0.9
67.05495	9.7
68.17196	0.8
69.07076	0.8
69.33540	4.9
71.04991	2.6
71.59936	0.8
79.05487	2.9
79.61160	1.0
81.03413	31.1
81.07053	4.2
83.08582	1.1
90.47823	0.8
91.05471	2.5
92.01920	0.8
93.07033	5.1
95.04962	68.3
95.08620	3.4
96.05283	0.8
105.07030	5.4
107.04970	0.8
107.08592	3.9
109.06513	2.3
109.10178	2.3
111.08076	0.9
113.61089	0.9
117.07029	1.7
119.08562	6.1
121.06509	2.9
121.10154	5.3
123.04423	7.2
123.08054	5.7
124.35376	0.8
129.07011	1.0
129.48569	0.8
131.08577	2.0
133.06490	1.2
133.10126	4.4
135.08051	2.2
135.11702	1.8
137.09618	1.8
137.84244	0.8
141.05457	3.4
143.08580	1.6
145.06482	4.3
145.10168	2.5
147.08049	1.8
147.11711	5.2
149.09627	2.3
155.08511	1.0
157.10118	1.6
159.08083	0.9
159.11700	3.5
161.09586	1.8
163.11169	4.3
165.12770	1.1
169.10016	1.2
171.08095	1.2
171.11664	1.5
173.09682	1.5
173.13272	2.9
175.11143	1.4
175.14821	10.1
177.12770	2.5
185.09586	1.3
187.11185	1.2
187.14847	1.1
189.12794	1.0
191.14285	12.2
191.75459	0.9
193.15878	23.6
193.17557	1.7
197.13213	0.9
199.11107	1.0
201.12791	0.8
203.14296	2.1
211.11186	1.3
213.12766	1.1
215.14339	2.7
221.15289	4.0
227.14386	1.7
239.14400	0.9
241.15866	2.7
243.13869	1.1
259.16858	1.3
267.17410	4.0
269.18997	1.6
279.17474	1.3
285.18457	5.3
297.18405	6.4
315.19522	100.0
316.19757	4.4
333.20584	51.3
334.20953	1.4
350.01074	0.9
375.21640	44.2
376.21954	2.3
410.25284	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	802.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38818	3.0
57.03427	18.9
65.68423	2.8
67.05507	28.6
69.03420	7.0
69.07059	10.7
69.76309	8.1
69.76659	4.0
71.04984	6.5
73.68722	2.7
77.03958	2.8
79.05486	30.3
81.03415	83.5
81.07056	76.9
83.04988	7.7
83.08633	3.5
85.06539	13.6
88.13934	3.2
91.05470	24.0
93.07037	28.4
95.04972	38.1
95.08612	21.9
97.06533	12.6
97.79353	3.0
99.04481	15.6
105.07032	37.0
107.04951	8.4
107.08581	36.3
109.06517	38.9
109.10148	27.4
111.08098	7.3
113.05989	4.9
117.06996	7.4
119.08573	32.6
121.06484	12.7
121.10125	28.2
123.04445	5.9
123.08073	11.4
123.11720	11.1
125.05986	3.6
125.09647	18.9
125.46177	2.9
127.07513	6.2
128.06297	3.0
129.06970	5.4
131.08548	24.3
133.06477	8.8
133.10136	39.0
135.08080	11.8
135.11694	17.3
137.09625	19.4
142.07732	4.0
143.08533	10.8
145.06459	11.5
145.10138	20.9
146.96231	3.0
147.07993	15.0
147.11662	18.1
148.32072	3.0
149.09633	12.1
149.13243	10.1
151.07536	2.8
151.11172	31.7
153.12743	7.1
155.08563	3.4
156.09325	3.7
157.10121	18.1
159.08008	5.5
159.11668	10.0
161.09579	14.4
161.13365	4.5
163.11128	9.4
163.14792	5.6
165.09102	4.4
165.12775	8.8
169.10106	8.5
170.10867	4.0
171.11688	8.9
173.09596	7.9
173.13306	20.5
175.11223	25.6
176.11865	4.0
177.09174	4.1
177.12674	10.0
179.10640	11.0
183.11694	7.5
185.09642	3.8
185.13318	7.2
187.07555	3.8
187.11157	18.4
187.12692	2.9
187.14706	4.8
189.09070	8.9
189.12770	14.9
191.14302	41.9
192.14642	3.2
193.12245	24.2
197.13191	5.8
201.09132	3.8
201.12717	7.4
203.10658	3.7
203.14255	8.0
205.12248	6.2
207.10101	5.9
207.13815	6.1
209.15353	18.4
211.11229	4.5
213.12711	6.4
215.10730	4.0
215.14340	28.2
217.12253	8.4
219.13826	10.2
225.12679	3.3
227.14290	5.1
229.12276	5.0
231.13759	3.8
241.15823	3.5
243.17575	4.8
245.15198	3.8
253.15985	4.3
257.15375	9.5
263.16321	4.5
271.13263	4.4
271.16919	7.9
275.16275	4.6
281.17465	6.8
295.17120	3.8
299.19974	37.4
313.18039	14.3
315.25333	3.5
317.21152	55.9
331.19034	66.5
335.22305	4.1
349.20102	10.1
375.04840	3.2
375.59372	3.1
455.28177	4.1
475.26773	5.2
479.62198	3.4
541.31256	6.1
568.47876	3.8
597.37482	3.7
629.38263	6.9
647.39240	33.6
665.40430	100.0
666.40491	7.9
707.41827	15.6
725.42456	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23115	0.7
61.50362	0.7
64.62013	0.7
85.02921	0.9
97.02887	0.9
123.08039	3.8
133.06563	0.8
151.06526	0.7
151.07529	4.7
153.46451	0.7
159.83665	0.7
163.03917	2.5
165.70232	0.8
178.32710	0.9
191.06769	1.2
201.03685	1.0
203.05246	34.0
209.28061	0.8
268.82782	0.7
353.12033	54.0
354.12558	1.8
413.14157	100.0
414.14230	5.3
451.06595	0.8
676.18561	0.9
731.58502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15709	0.2
64.47417	0.3
65.20379	0.2
83.88979	0.3
95.04991	0.4
109.10164	0.3
110.58210	0.3
122.35199	0.2
137.78104	0.3
154.49384	0.3
167.93437	0.2
173.11844	0.3
353.17172	4.4
413.19315	100.0
414.19653	5.5
431.20316	0.9
454.21933	3.2
501.48312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.397
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97369	0.7
66.55105	0.7
67.80647	0.7
69.33963	3.6
69.34346	1.3
75.00551	0.8
98.22687	0.7
115.71401	0.8
353.17166	19.7
413.19296	100.0
414.19806	4.8
431.20065	2.2
454.22107	2.2
599.61285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02379	0.4
69.03411	0.9
69.76584	0.6
70.06577	0.2
71.04955	0.3
79.05503	0.9
80.90729	0.2
81.03417	2.6
83.07806	0.2
85.02892	0.8
86.09708	0.2
89.03913	4.1
93.07010	0.3
95.04976	0.4
96.71340	0.2
97.02880	0.7
99.04449	0.3
107.04932	1.3
109.02904	1.0
117.03381	5.7
121.06506	0.5
127.03927	0.7
135.04410	13.8
145.02841	10.5
149.09563	0.2
155.10535	0.2
163.03893	100.0
164.04214	1.6
177.05453	0.7
181.04955	4.2
182.05313	0.2
236.09448	0.2
246.92159	0.2
255.54376	0.2
289.07053	0.5
307.08072	3.0
325.09158	7.2
487.12271	0.7
501.14493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.05004	0.2
60.80624	0.1
61.02919	1.0
63.02370	0.3
65.03909	0.1
67.05505	0.2
69.03069	0.2
69.03426	3.1
69.25337	0.7
71.01351	0.7
71.04992	4.2
73.02914	6.2
75.04467	0.4
79.05474	0.4
81.03407	0.8
83.04980	2.6
84.79680	0.1
85.02900	7.7
87.04481	0.3
89.03904	2.5
91.05479	0.3
95.04955	0.5
95.35067	0.1
97.02886	5.4
98.03239	0.2
98.23435	0.3
99.04464	0.8
103.03934	0.4
105.03406	0.2
105.04520	0.1
107.04953	0.9
109.02869	0.3
111.04442	1.6
113.02396	0.1
115.03922	1.9
117.03380	3.6
118.03716	0.1
119.04951	0.2
121.06515	0.6
123.04433	0.3
125.06014	0.8
126.06285	0.2
127.03895	0.8
129.05473	2.1
133.04959	0.9
135.04405	8.4
136.04730	0.2
137.05978	0.3
139.03888	0.4
145.02837	7.9
146.03172	0.2
147.06508	1.1
149.05943	0.3
151.03874	0.4
152.04671	0.9
153.05467	1.0
154.05775	0.3
158.82912	0.1
163.03889	100.0
164.04227	3.1
165.04256	0.2
165.05490	0.3
165.07553	0.1
167.07028	6.5
168.07336	0.2
169.04967	0.2
171.06442	0.2
177.05560	0.2
178.02605	0.3
181.04936	2.4
183.06517	1.7
184.06831	0.8
185.08173	1.3
191.07072	0.2
193.03337	0.2
193.04948	1.9
195.06607	0.2
199.05789	0.1
207.06361	0.1
225.07565	0.8
241.07101	0.1
243.08699	0.4
251.08978	0.2
261.09787	0.4
263.09232	0.2
279.10614	0.3
291.08505	0.2
295.08142	0.7
295.11124	0.1
307.08148	0.7
309.09668	0.6
311.10883	0.2
325.09152	23.6
326.09549	1.1
327.09744	0.3
330.06000	0.1
330.32846	0.1
355.10269	0.3
402.47397	0.1
471.15302	0.3
491.14944	0.2
594.73932	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
59.04992	0.7
60.04484	0.3
61.02910	0.8
63.02380	0.4
63.69382	0.2
67.05509	0.3
69.03422	2.2
70.94277	0.3
71.01334	0.6
71.04988	6.7
71.06295	0.2
73.02901	1.1
75.04455	0.4
79.05485	0.5
81.03392	0.7
83.04975	4.0
85.02898	13.7
87.04446	0.9
89.03918	2.3
95.04958	0.6
97.02887	4.1
99.04447	3.0
103.03951	0.5
107.04954	1.3
109.02884	0.3
111.04441	2.9
113.02374	0.8
115.03957	0.3
117.03374	3.3
117.05455	0.3
127.03907	2.0
129.05481	2.6
131.03400	2.0
132.26849	0.2
135.04405	8.9
136.04800	0.4
137.05949	0.4
145.02837	8.3
145.04904	0.5
146.03128	0.4
147.06540	2.1
149.05952	0.3
152.01498	0.3
153.05534	0.4
157.04945	0.8
163.03888	100.0
164.04234	2.3
175.06004	0.4
177.05484	0.8
181.04927	2.0
185.07806	0.3
213.07567	1.0
241.07027	0.4
259.08163	0.9
273.09723	0.8
277.09366	0.3
291.08466	0.3
294.01123	0.3
307.07990	0.9
309.09586	0.7
325.09143	25.7
326.09534	1.0
340.70053	0.3
404.41837	0.2
460.39102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
61.02924	1.3
63.02363	0.3
65.03916	0.2
69.03424	3.5
69.17410	1.4
71.01340	0.6
71.04987	5.3
73.02913	8.8
75.04485	0.5
77.27840	0.2
79.05478	0.9
81.03402	0.9
83.04966	3.1
85.02899	8.4
87.04459	0.4
89.03897	3.0
91.05437	0.2
95.04963	0.3
97.02885	5.9
99.04451	0.8
103.03915	0.3
107.04950	2.3
107.08643	0.2
109.02843	0.4
111.04435	1.9
115.03900	2.1
117.03371	4.0
118.03742	0.2
119.04900	0.2
123.04431	0.7
127.03901	0.5
129.05461	2.2
131.04860	0.3
133.04942	1.0
135.04396	9.9
137.02339	0.2
137.05971	0.6
139.03862	0.4
145.02832	11.6
146.03235	0.3
147.06485	1.7
149.05952	0.8
153.05435	2.0
157.06407	0.2
163.03886	100.0
164.04211	2.0
177.05453	13.4
178.05801	0.3
181.04892	1.7
195.06506	0.5
203.07097	0.2
225.07588	0.8
243.08670	0.4
259.14554	0.2
261.07623	0.2
265.06879	0.2
279.10797	0.3
281.10229	0.2
295.07999	0.6
307.08142	0.6
309.09564	0.6
325.09140	20.5
326.09482	0.6
339.10751	3.1
352.35297	0.2
393.49924	0.2
459.12711	0.9
485.59573	0.2
497.11026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
60.37858	0.2
61.02919	0.4
63.02382	0.3
63.78306	0.2
67.05528	0.2
69.03420	2.2
69.16774	1.3
69.85809	0.2
71.01332	0.5
71.04987	4.6
73.02906	1.0
75.04466	0.6
80.84603	0.2
81.03409	0.8
83.04977	2.7
85.02897	12.8
87.04460	0.4
89.03898	2.4
95.04948	0.3
97.02883	3.9
98.23459	0.3
99.04455	0.4
101.02345	0.3
103.03944	1.8
103.05463	0.2
109.02852	0.5
111.04429	2.9
113.02347	1.6
113.05988	0.2
117.03370	7.7
123.04463	0.3
125.05988	0.3
127.03886	0.8
129.04521	0.3
129.05457	2.4
131.03380	2.7
134.03606	0.5
135.04413	0.9
137.05959	0.5
145.02832	31.9
146.03159	0.6
147.06526	2.0
149.05969	3.7
153.05484	0.4
157.04988	0.9
163.03882	2.6
164.04179	0.2
171.06456	0.2
175.06007	0.4
177.05449	100.0
178.05794	2.4
186.05507	0.3
195.06523	2.5
206.10336	0.2
213.07532	0.4
241.07057	0.4
259.08014	1.1
265.37042	0.2
277.09335	0.3
287.09210	0.3
307.08337	0.3
321.09628	1.0
323.11279	0.8
325.09152	0.3
331.11682	0.3
339.10706	25.6
340.11078	1.0
453.14105	0.2
469.13062	0.4
562.51343	0.2
795.91827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.7
60.42009	0.7
61.02929	6.5
62.91106	0.7
65.03922	0.8
67.05502	16.1
69.01573	0.7
69.03435	1.6
69.07067	5.5
69.77136	2.6
71.05000	1.0
73.02908	2.4
75.30657	0.6
79.05495	13.2
81.03426	1.4
81.07059	15.7
83.04967	1.2
83.08617	3.1
84.19536	0.7
85.02899	6.9
87.04438	0.8
91.03948	4.1
91.05482	17.1
93.07050	12.9
95.04952	3.4
95.08613	10.8
97.02895	4.0
97.06532	2.2
97.10172	1.9
105.06350	1.2
105.07034	18.1
107.04959	2.4
107.08582	7.5
109.02853	0.8
109.06522	2.6
109.10141	4.5
115.05409	1.2
117.07029	9.5
119.08581	9.9
119.12741	0.7
121.06510	3.5
121.10152	5.2
123.08021	1.7
123.11727	0.8
125.09613	1.4
127.03914	1.6
128.06232	0.9
129.06995	5.6
130.07826	0.9
131.08572	16.3
133.06505	1.5
133.10127	7.0
135.08066	2.7
135.11702	1.9
137.09595	1.2
141.07011	2.7
143.08551	7.9
145.04968	2.1
145.06496	1.5
145.10123	9.1
147.08043	3.4
147.11711	2.7
149.09685	1.0
153.07121	1.0
155.08507	4.1
157.10149	6.0
159.08012	1.1
159.11714	3.8
161.09674	0.7
163.06024	1.6
167.08479	1.0
169.10164	4.0
171.08038	1.0
171.11691	3.2
173.09621	1.4
173.13249	1.6
176.85590	0.7
181.10146	1.7
183.11708	2.1
185.09604	0.7
185.13211	2.1
187.11047	0.7
187.14793	1.5
189.11363	0.7
195.11752	3.2
197.13310	2.7
199.11084	1.1
199.14822	1.2
201.12758	0.7
203.14256	1.3
209.13330	1.0
211.14799	1.3
213.12788	1.5
219.17604	0.8
223.14851	1.5
231.17361	0.8
247.16833	1.3
259.16940	1.3
271.17020	0.7
273.18585	0.9
291.19565	1.4
325.25388	2.1
335.23840	2.4
343.26331	2.4
353.24710	6.5
371.25751	6.1
389.26932	5.2
427.28574	1.7
445.29489	100.0
446.29901	5.0
452.55386	0.8
463.30563	38.7
464.30875	2.8
517.30762	0.7
607.34735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
61.02926	4.5
64.79736	1.1
65.03906	1.1
67.05503	14.8
69.03417	1.6
69.07059	5.1
69.35931	1.2
69.36252	4.9
73.02914	1.2
79.05495	11.8
81.07053	13.0
83.04970	1.4
83.08611	2.9
85.02896	6.9
91.03949	3.4
91.05475	14.8
93.07030	11.3
95.04954	2.1
95.08604	9.0
97.02890	3.4
97.06530	2.4
97.10205	2.1
98.22755	1.9
105.07018	14.8
107.04955	1.7
107.08586	6.8
109.06488	2.0
109.10157	3.7
117.07014	7.2
119.08562	9.5
121.06473	2.3
121.10120	4.5
123.08038	1.7
126.25708	0.9
127.03924	1.1
129.06975	6.5
131.08562	12.8
133.06520	1.6
133.10130	6.4
135.11700	2.6
141.06978	2.2
143.08563	7.1
145.10103	8.2
147.08011	2.2
147.11668	2.2
149.09608	1.1
149.13278	1.0
151.11139	1.1
155.08537	3.7
157.10133	3.8
159.11685	4.0
161.09599	1.4
163.05980	1.6
167.08565	1.3
169.10159	2.5
171.11659	2.9
173.09659	0.9
173.13268	2.2
174.09860	0.9
175.41092	0.8
178.43639	0.8
181.10057	1.8
183.11687	1.3
185.13260	1.6
195.11597	1.5
197.13286	2.6
199.14819	1.4
209.13297	1.0
213.16495	1.0
223.14818	2.3
243.17409	0.9
335.23639	1.3
343.26334	2.3
353.24747	3.2
371.25839	4.6
389.26816	3.6
427.28622	1.4
445.29462	100.0
446.29803	6.6
463.24478	1.6
463.30563	24.1
464.30887	1.5
540.56921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.2
57.69602	0.6
61.80209	0.6
64.37341	0.5
69.03403	1.6
71.04974	1.6
72.48586	0.6
73.02899	0.7
79.05494	0.5
81.03411	1.1
83.04971	3.0
83.20770	0.5
85.02889	5.8
89.03899	3.0
95.05002	0.7
97.02879	4.8
99.04448	0.6
101.02392	0.6
107.04962	1.2
110.26629	0.5
111.04437	1.8
117.03416	3.0
129.05470	0.7
135.04425	8.1
137.05981	0.8
145.02838	7.1
147.02841	1.0
153.05421	0.6
157.04944	0.7
163.03891	100.0
164.04218	4.0
181.04973	1.6
183.06520	0.7
191.08194	0.7
193.04939	0.7
194.06554	0.6
218.86250	0.6
224.39871	0.6
250.11899	0.8
257.06555	1.0
275.07498	1.1
293.22577	0.5
323.07147	0.5
325.09146	22.6
326.09467	2.0
389.57816	0.6
432.65051	0.7
456.71402	0.5
552.94025	0.6
584.19122	0.6
722.12317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82839	1.5
71.76672	1.1
73.46030	1.1
81.03407	2.7
85.02903	3.4
91.05477	3.3
95.04970	1.4
97.02878	2.1
101.00886	5.0
109.06499	2.2
113.00861	5.2
115.02445	1.7
119.01920	11.7
119.04927	3.4
127.02376	2.0
131.01895	18.0
133.03435	3.6
137.05972	3.4
143.01884	4.3
145.03488	13.0
147.01332	1.7
147.04379	19.8
148.05138	2.6
149.02867	1.9
155.01869	12.1
156.02676	2.6
157.03470	5.1
159.01337	1.9
159.05020	1.5
160.20526	1.2
161.02945	7.5
164.11937	1.1
165.05476	4.7
167.05530	3.3
169.03468	2.0
171.05049	2.6
173.02960	16.1
175.04488	3.4
177.03976	3.1
179.01913	1.6
179.05515	1.6
181.03442	4.5
183.01334	2.9
183.04997	4.4
185.02927	7.8
185.06569	4.3
187.04453	2.1
195.05022	26.3
197.02995	7.8
197.04567	1.4
197.06586	7.8
199.04466	3.7
201.02393	2.6
203.03990	9.3
204.03998	1.6
205.03323	6.0
207.05034	2.7
209.02863	3.0
209.06592	2.5
211.04466	3.9
213.02426	1.3
213.06084	6.8
215.03880	2.0
219.01611	2.7
219.05080	8.0
221.02983	2.3
221.04932	24.9
221.06686	3.3
223.04520	29.5
224.04767	1.8
225.02432	1.5
225.06088	3.8
227.04034	1.8
229.03589	1.3
231.05174	9.1
233.02982	2.5
233.06528	2.8
237.02600	1.8
237.06047	14.8
239.03983	3.2
241.05547	12.6
243.07120	2.2
245.05043	3.5
247.04466	11.9
249.06224	8.4
251.04025	2.9
251.07423	1.2
253.05536	1.3
255.07141	3.3
257.05078	7.2
259.02563	2.2
259.04730	1.6
259.06812	2.0
261.06113	3.5
265.05588	17.6
273.06006	3.9
277.05408	5.1
279.07025	2.3
283.06824	7.9
285.04483	8.7
287.06140	1.9
289.05566	2.2
291.07288	1.6
295.06299	1.2
301.05557	4.6
307.06662	3.5
319.06656	1.4
321.08151	31.7
323.06265	6.0
339.08948	1.2
341.06927	2.0
345.06772	1.7
349.07632	21.7
350.08093	1.5
367.08679	16.1
385.09705	12.4
403.05737	2.2
403.10818	35.8
437.49661	1.3
445.11896	100.0
446.12103	4.6
541.13586	3.0
567.15601	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	807.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35017	1.0
69.03423	1.9
69.19181	0.9
70.86732	1.4
81.03437	1.6
81.07120	1.2
84.71094	1.0
85.02901	4.7
87.04443	1.3
91.05475	2.0
95.04983	3.1
97.02884	3.8
101.00876	4.3
109.06531	2.7
113.00870	2.5
119.01925	10.7
119.04968	2.1
123.23086	1.2
127.02430	1.7
131.01888	16.8
133.03482	2.3
137.02963	1.4
137.05992	4.1
143.01878	3.2
145.03453	10.2
147.04396	14.8
148.05165	2.4
149.02997	1.6
155.01866	13.5
156.02686	3.3
157.03415	5.2
159.01401	3.1
161.02942	6.2
165.05437	4.7
167.05612	2.3
169.03438	2.0
171.04980	2.4
173.02969	14.2
175.04517	2.1
177.03970	3.0
181.03470	3.4
183.01430	2.3
183.05029	4.0
185.02956	5.6
185.06595	4.0
187.04555	2.3
188.84264	1.0
191.05777	1.0
195.05020	20.7
196.05484	1.0
197.02934	7.8
197.06593	7.2
198.56618	1.2
199.04535	3.9
201.02379	1.5
203.03993	8.6
205.03479	4.8
209.02994	2.2
209.06595	2.0
211.04535	2.9
213.06068	5.9
215.04022	1.7
219.01430	1.9
219.04980	6.3
221.02939	2.8
221.04951	24.6
223.04497	26.1
225.02350	1.5
225.06134	4.1
227.04048	1.6
231.05113	10.0
233.03011	2.3
233.06595	3.7
235.04478	1.9
237.02562	1.5
237.06013	10.3
239.03954	3.4
239.07707	1.3
241.05521	12.9
243.07117	1.2
245.05075	4.1
247.04538	8.7
249.06123	7.2
251.03987	4.0
251.07729	2.2
255.07251	1.3
257.04971	5.1
259.02609	1.7
259.06876	1.5
261.06021	3.2
263.07800	1.2
265.05508	18.6
266.05795	1.5
273.06030	3.7
277.05511	4.0
279.07181	1.9
281.05099	1.8
283.06818	5.7
285.04471	9.2
287.06238	2.4
289.05542	1.6
291.07117	1.5
295.06644	3.2
301.05582	4.0
307.06589	3.2
319.06750	1.6
321.08167	29.4
322.08264	1.6
323.06049	4.7
325.07663	2.0
337.13879	1.4
339.09192	3.5
341.07275	2.6
349.07678	19.7
367.08755	18.0
385.09711	13.5
403.05719	2.3
403.10840	41.4
445.11877	100.0
446.06818	1.9
446.12045	4.2
446.73825	1.2
541.13763	3.0
567.15320	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	807.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34279	1.8
59.86459	1.6
67.05504	3.0
69.07054	3.3
70.99850	1.7
79.05485	3.2
81.07052	3.8
83.05035	2.0
85.02894	4.0
85.60197	2.2
94.06614	3.4
95.04926	2.0
105.07035	1.8
107.04948	2.1
108.08134	1.8
121.10097	1.9
122.06008	14.1
124.07584	3.6
140.07072	20.1
144.04448	3.8
145.05162	2.2
146.05984	11.3
172.03940	16.2
174.05545	11.6
176.07097	6.3
190.04958	7.0
197.10756	2.4
199.12247	3.2
204.06583	18.7
204.60468	1.7
206.08138	7.4
208.09595	2.0
211.08656	2.8
224.09419	2.0
225.10191	12.6
226.10733	2.1
227.11792	7.4
237.10112	5.3
238.11028	4.2
239.11749	4.4
249.10194	3.2
251.08209	1.9
251.12009	1.9
253.09735	7.3
255.11201	3.7
263.08273	2.5
265.09613	4.9
266.10446	2.1
267.11188	4.1
269.12915	2.0
277.09756	2.6
285.12354	12.0
295.10858	3.2
297.12277	5.5
298.13083	6.6
301.11966	4.7
301.15387	10.9
311.13855	7.8
312.14752	4.5
313.11877	7.5
314.12872	4.1
315.13638	4.7
316.14389	6.4
326.16672	2.2
327.13608	5.2
328.10947	2.2
328.14395	5.9
329.11548	2.9
329.15164	6.8
330.12521	4.4
330.15945	11.1
331.12912	4.2
331.16733	6.6
337.11713	2.2
342.12491	11.3
343.13120	4.0
344.17615	9.6
345.14410	16.1
354.15961	2.6
355.13309	3.3
356.14188	8.3
356.17883	3.1
357.14850	5.7
358.15509	15.0
368.13858	2.6
369.11163	2.7
370.11545	4.1
370.15491	5.1
372.16989	6.4
380.13974	2.7
382.11798	5.7
382.16034	2.7
383.12604	3.5
384.13351	25.1
385.13977	7.7
386.14975	6.9
386.19238	2.5
398.14978	30.9
399.15729	39.6
400.16486	77.4
401.16925	5.8
402.17752	2.7
404.19656	7.4
414.18005	4.9
416.15616	3.7
428.19592	4.0
430.17447	6.5
431.18481	11.0
432.19254	11.6
440.16092	3.0
444.18884	2.9
445.19775	3.2
454.17639	6.0
455.18253	2.2
472.18674	41.9
473.19403	24.5
474.20102	6.4
475.17139	12.3
493.17944	4.8
504.21198	11.6
505.21759	3.1
531.61981	1.9
571.25372	3.4
595.25677	3.3
613.26556	90.7
614.26788	6.2
645.29333	2.4
733.30005	3.2
757.30664	2.3
758.97986	2.2
775.31830	100.0
776.31439	7.7
807.34381	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	807.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52622	1.8
64.41171	2.0
69.03421	3.2
69.07059	4.6
70.06590	3.6
70.45457	3.9
79.05508	3.1
81.07065	4.4
85.02914	2.8
87.12254	1.8
89.55712	1.7
93.05811	1.9
94.06570	2.4
95.04961	2.0
97.02864	3.4
103.06226	1.7
105.80003	2.0
108.08112	2.5
112.03934	4.3
121.90016	1.8
122.06027	14.5
124.07562	5.7
138.05502	2.4
140.07062	28.2
144.04424	3.3
146.05988	12.8
148.07582	2.7
162.05441	2.7
166.08554	2.3
172.03923	17.0
173.04689	1.8
174.05460	14.5
176.07072	6.7
190.04991	4.2
192.06479	2.2
197.10660	3.5
204.06535	21.0
206.08115	8.6
209.07027	2.1
211.08562	2.2
211.69385	1.8
211.75783	1.9
223.08733	2.0
224.09248	2.5
225.10143	15.3
226.10883	2.3
227.11623	8.5
237.10231	6.7
238.11011	4.2
239.08102	2.3
239.11728	6.4
248.09441	4.5
249.10239	11.4
251.11734	8.5
253.09724	10.3
255.11243	3.3
257.12686	2.5
261.09946	2.2
261.12384	3.5
262.11020	2.0
263.08939	3.2
263.11743	28.2
264.03220	1.9
264.12442	3.1
265.09705	10.9
265.13318	4.5
266.10406	2.8
267.11026	4.2
269.12811	2.9
271.10773	4.4
277.09750	10.7
278.10434	2.4
279.11179	13.5
283.10834	2.5
285.12341	23.5
287.14249	2.6
291.11209	12.4
293.12888	3.1
295.10617	4.4
297.12338	5.5
298.13062	7.3
299.13928	5.7
301.12100	6.3
301.15445	11.7
307.10666	2.4
309.12320	13.9
310.13058	3.1
311.13992	12.7
312.14761	3.9
313.11832	6.3
314.12735	5.6
315.13678	6.6
316.14410	6.5
319.10825	2.6
323.13892	32.6
324.14792	4.0
326.13058	2.4
327.13391	11.6
328.10904	3.3
328.14423	7.2
329.11664	3.2
329.15210	5.2
330.12408	4.3
330.15976	14.9
331.12881	7.5
331.16785	11.7
332.17596	1.9
337.11969	2.2
338.12558	4.3
339.13528	3.7
342.12323	14.3
342.15738	1.7
343.13159	7.5
344.13870	3.3
344.17538	9.9
345.14316	14.4
350.12503	7.7
351.13251	7.9
352.14294	3.7
354.16223	2.8
355.13547	3.4
356.13885	8.0
357.14822	5.4
358.15573	18.6
359.09509	2.0
369.15109	3.8
370.11462	2.7
370.15396	9.9
371.16202	4.9
372.16898	7.5
382.11697	7.0
382.15305	6.5
383.16321	24.5
384.13098	29.1
385.14291	6.6
386.14453	9.2
398.14960	35.4
399.15759	45.8
400.11160	4.2
400.16449	83.6
400.21475	4.1
401.17017	6.5
402.18539	2.4
404.19894	9.8
405.20627	3.2
412.16806	2.3
414.17944	2.6
417.20587	2.3
422.14893	3.0
428.19400	4.9
429.20544	2.9
430.17581	7.8
431.18213	12.0
432.19238	17.9
444.19113	6.8
445.19922	2.3
454.17572	10.9
460.18411	2.4
472.18655	52.1
473.19446	27.9
474.20334	9.5
475.17120	15.2
480.21414	3.2
490.19513	2.3
492.21072	11.2
493.17883	3.3
504.21307	11.1
505.21799	5.2
522.22223	9.3
524.23669	5.4
595.25043	6.1
613.26544	100.0
614.26331	6.3
645.28796	6.3
652.23749	2.2
684.27069	7.5
686.28955	3.7
707.83856	2.0
733.29993	3.6
757.30536	2.9
775.31720	87.6
776.32050	8.7
807.34412	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	807.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77019	0.2
67.05505	0.4
70.68331	0.2
71.43775	0.3
71.44132	0.2
76.15534	0.2
79.05470	0.3
81.03415	0.4
81.07040	0.3
95.04967	0.4
105.07031	0.3
106.70641	0.3
161.09502	0.2
181.33313	0.3
355.18799	2.9
397.19833	0.7
415.20856	100.0
416.21188	5.9
416.26718	0.3
417.21713	0.8
433.21857	2.3
456.23734	0.3
559.91187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33060	0.5
70.60655	0.6
70.60976	0.7
81.03409	1.0
95.04983	1.0
103.51525	0.6
106.59245	0.6
121.10166	0.9
123.06216	0.5
125.26093	0.5
163.11070	0.8
337.17908	1.0
355.18784	19.1
356.18973	0.7
415.20865	100.0
416.21326	3.9
433.21918	0.9
456.23300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53175	0.8
67.05479	0.8
68.91325	0.7
69.05904	4.9
70.47785	0.6
77.36420	0.6
95.04967	0.8
99.52135	0.8
107.08537	1.2
121.10134	2.6
163.11125	1.6
175.14815	0.9
205.90062	0.7
267.82761	0.9
269.82788	0.7
337.17694	2.3
355.18768	63.8
356.19156	2.4
415.20880	100.0
416.21472	3.3
426.01285	0.9
431.75668	0.7
456.23740	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	807.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41289	0.5
70.92418	0.8
77.20193	0.4
85.86793	0.6
115.20409	0.4
117.64214	0.5
134.00906	0.4
138.05287	0.7
149.10712	1.0
163.08420	2.3
164.09282	0.6
177.10216	0.7
188.09244	0.5
189.10059	1.6
191.11667	0.5
245.12856	0.8
260.13800	1.0
264.46002	0.5
276.16888	0.5
286.15298	2.2
288.16797	3.9
304.19839	0.7
316.16119	3.4
331.17465	0.9
357.19104	1.8
371.20566	0.6
383.20819	0.7
385.22067	20.0
386.22440	1.1
387.20309	0.5
389.25406	1.7
401.25369	1.1
413.21628	0.9
417.28577	0.7
454.24545	0.8
456.25851	3.0
482.24133	0.7
484.25418	0.8
498.30426	4.5
510.26944	0.8
551.29724	0.6
553.31097	6.7
581.30359	0.6
611.38965	2.8
666.39935	3.9
682.42792	0.8
708.44458	0.5
779.47650	12.2
780.48560	1.4
807.47272	100.0
808.47382	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	808.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.4
62.33588	0.2
65.03940	2.6
67.05488	0.9
68.99762	0.4
69.03424	2.6
70.06577	0.4
73.02940	0.4
74.36056	0.2
79.05460	0.3
81.03406	3.5
82.04185	0.8
84.08144	0.5
85.02898	5.4
87.00829	1.2
91.05444	0.3
93.03389	0.8
95.04977	1.9
97.02877	2.5
97.06529	1.1
99.04469	1.4
105.01857	1.7
108.02087	0.5
109.02871	3.3
109.06531	0.5
110.03654	1.5
111.04432	0.9
119.04937	0.3
120.65428	0.2
123.04401	0.7
125.05992	0.9
127.03905	3.6
129.10193	0.3
137.02040	0.2
137.05951	0.6
138.03087	1.0
140.04657	3.7
142.02614	0.6
145.04968	1.3
153.05447	2.6
155.06998	2.0
159.02899	0.6
163.03862	0.3
165.05432	1.0
171.06523	4.5
177.05452	0.6
181.04938	100.0
182.05254	2.1
188.67039	0.3
199.05988	5.1
213.03889	0.5
221.45370	0.3
223.05943	0.5
225.03841	0.3
231.04974	1.8
249.06041	0.4
265.07025	1.6
289.06995	1.0
307.08170	1.1
325.09125	5.4
343.10220	6.5
411.09174	0.4
429.10309	2.4
573.14380	0.8
591.15259	0.4
595.03778	0.3
652.67883	0.2
658.63104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	14.2
62.67387	9.0
66.24169	8.3
67.05495	68.7
69.07078	20.1
79.05497	64.8
81.07050	100.0
83.08614	8.2
90.08302	8.6
91.05479	51.8
93.07041	64.8
94.17070	8.4
95.08622	66.9
105.07027	55.3
107.08612	50.5
109.10167	25.4
117.07022	16.3
118.18104	10.6
119.08566	66.5
121.10113	39.6
129.07013	14.5
131.08528	28.7
133.10126	46.6
135.11633	24.1
143.08588	12.4
145.10114	26.8
147.11679	26.6
148.27141	7.4
149.13289	9.3
157.10202	9.2
159.11668	22.6
161.13197	16.7
171.11685	15.5
173.13225	11.0
185.13208	11.8
213.71214	8.2
228.90875	14.3
231.71227	8.6
241.19510	17.9
259.20541	39.4
302.44736	8.1
333.24124	38.5
335.25735	60.3
538.47345	9.2
611.46600	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.4
84.96051	1.4
128.98647	0.8
145.02838	1.5
170.99638	0.7
177.05516	2.7
178.05856	0.8
193.01808	0.6
197.01215	1.5
211.02850	2.2
219.01666	0.8
225.04391	1.1
229.03931	2.0
239.02383	1.1
251.02284	1.0
252.97617	0.7
253.03748	0.7
254.00946	1.0
269.03278	5.5
283.05072	1.0
287.04346	5.4
307.04837	1.0
337.05597	0.7
515.15417	1.1
531.11578	4.2
549.12738	10.4
572.13782	0.8
791.22772	1.1
809.22614	100.0
810.23065	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	809.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.7
65.15536	0.8
69.75474	3.0
73.09575	0.9
73.60630	0.8
92.02437	0.9
127.03923	0.9
143.00200	1.5
145.02777	1.0
163.03894	1.7
177.05482	2.7
193.01833	1.2
197.01332	1.5
211.02863	2.1
225.04520	1.3
229.03862	1.5
235.99776	1.0
237.02730	1.0
239.02354	1.7
251.02240	1.2
269.03320	6.6
287.04346	6.8
308.39194	1.0
337.06000	1.2
340.62772	0.9
405.08768	1.3
454.91452	0.9
515.15210	1.5
531.11908	4.8
549.12726	13.3
606.06848	1.1
791.22852	1.2
809.22626	100.0
810.22272	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	809.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19487	0.5
69.03417	0.8
71.04982	1.1
73.02917	2.5
76.24419	0.5
78.47478	0.6
85.02902	2.2
97.02914	1.0
107.04971	1.3
108.09521	0.5
109.00021	0.6
117.80479	0.5
135.04445	1.2
140.50131	0.5
145.02858	1.1
149.02173	0.8
163.03879	9.6
164.04233	5.1
165.04500	2.3
166.04704	1.2
207.07797	1.1
221.03012	2.0
235.05734	0.8
301.08875	6.1
311.04144	0.6
319.09937	1.5
327.09793	1.1
328.10077	0.7
351.10474	4.1
497.16443	0.9
508.31952	0.6
531.14697	18.0
532.14807	0.8
549.14276	1.3
677.20435	5.0
809.24615	100.0
810.24860	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	809.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63871	0.3
66.92371	0.3
69.07040	0.3
69.47033	1.2
70.06573	0.6
75.93510	0.3
79.05481	0.3
82.53224	0.2
85.02889	0.4
93.07021	0.5
94.06564	0.5
107.08536	0.3
108.08140	1.4
112.75914	0.2
115.53793	0.2
116.04935	0.5
120.04456	0.5
120.08058	0.9
122.06024	1.4
122.09658	0.4
126.60368	0.3
136.07547	0.8
138.09135	1.8
140.07060	1.0
144.04391	0.7
146.05977	0.9
148.07503	0.9
149.89023	0.3
151.54102	0.4
163.03867	0.4
172.03864	0.7
174.05518	0.6
178.08592	0.4
178.11125	0.3
180.10173	3.8
181.10916	0.3
190.05013	3.1
200.64246	0.3
204.06473	0.5
206.11626	0.3
208.09686	0.4
209.10773	0.6
210.11469	0.6
211.08569	0.3
211.12022	0.3
221.10435	0.4
222.11336	0.7
223.08574	0.8
223.12239	1.8
224.09142	0.3
224.13084	1.0
225.10214	1.0
225.13849	0.4
226.10904	0.4
233.10643	0.3
234.11359	0.5
235.08517	2.0
235.12305	0.6
236.09319	1.7
236.12979	0.4
237.10153	2.9
237.13828	3.4
238.10959	5.7
238.14612	0.5
239.11760	4.7
240.12494	1.0
247.12161	0.4
248.10606	1.2
248.13095	0.6
249.10156	2.6
249.13942	0.4
250.10944	6.1
251.08194	1.0
251.11777	22.0
252.10034	0.5
252.12515	4.5
253.13351	1.8
263.08923	0.5
263.11740	3.7
264.08878	0.8
264.12518	1.5
265.09842	1.3
265.13336	20.0
266.10461	3.3
266.13928	2.2
267.11240	2.0
267.14594	0.6
275.11664	1.0
276.10123	1.0
277.09607	1.1
277.13358	0.3
278.10312	3.1
279.11261	7.3
280.11935	0.5
281.12747	0.7
283.10709	1.2
284.11627	0.5
285.12399	0.5
291.11279	0.9
292.11862	0.6
293.12817	10.5
294.13409	0.6
295.10858	0.6
295.14322	0.5
297.12292	0.9
297.15671	0.4
298.13187	1.1
299.14001	0.4
303.11191	0.3
309.12347	0.4
310.13303	2.4
311.13858	3.3
312.11938	0.4
312.15060	0.3
313.15347	0.6
319.10736	0.8
321.12253	2.9
322.12811	0.4
323.13885	5.6
324.14551	0.9
325.15445	53.9
326.16028	3.6
327.17047	3.5
338.12674	0.7
339.13446	0.6
344.13828	0.5
345.14441	0.4
351.13379	5.6
352.14120	2.3
353.14935	67.0
354.15421	4.7
355.16299	0.4
358.15491	0.4
360.17273	0.3
370.15262	0.6
371.16046	6.8
372.16446	0.4
383.16040	8.2
384.16486	0.7
385.17551	100.0
386.17914	5.1
428.19644	0.4
446.20810	1.2
448.22244	1.4
474.20239	6.9
475.19809	0.3
492.21219	0.9
494.22867	5.4
497.18887	0.4
506.22891	9.2
507.23016	0.5
515.20300	1.8
525.24780	0.6
526.25433	1.4
569.23199	0.5
589.29999	0.4
615.28070	3.2
636.25293	0.5
647.30847	1.6
654.26917	1.3
655.27283	8.9
656.27936	6.1
686.27557	0.4
688.30573	1.0
777.33551	1.9
809.34680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28302	0.3
62.91625	0.3
67.05504	1.9
69.07040	0.4
69.63763	0.9
70.06561	0.5
78.09610	0.4
78.25287	0.4
89.24217	0.4
94.06561	1.7
98.23383	0.8
106.06539	0.7
108.08070	0.6
117.87658	0.3
120.08073	0.6
122.06028	6.0
125.65958	0.4
134.05978	1.5
136.07544	2.1
138.09114	1.9
138.64478	0.4
140.07036	0.8
146.05968	0.7
148.07495	0.5
166.08600	0.6
172.03853	0.5
174.05554	0.5
180.10168	2.8
190.04959	1.1
204.06569	0.8
209.10750	0.5
211.12189	0.6
213.10204	0.5
221.10701	1.1
222.11526	1.3
223.08664	3.5
223.12225	1.8
224.13147	0.6
225.10201	8.5
225.13681	0.5
227.11751	0.7
232.09798	0.5
235.08516	2.0
235.12314	1.6
236.09363	2.0
236.12915	0.6
237.10181	4.1
237.13774	2.1
238.11047	4.6
239.11734	3.5
241.09634	0.5
243.11235	0.5
247.12413	0.5
248.09108	2.9
248.13010	0.6
249.10185	6.2
250.10973	6.0
251.08147	4.1
251.11765	20.8
252.12523	3.4
253.09615	0.6
253.13226	0.6
262.11020	1.1
263.07999	0.9
263.08591	0.8
263.11780	18.5
264.09048	1.0
264.12494	4.2
265.09769	2.7
265.13333	18.1
266.10532	1.6
266.13922	2.1
267.11240	1.0
269.12930	0.5
276.10107	0.5
276.12708	0.5
277.09726	4.5
277.12955	0.6
278.10379	3.9
279.11249	7.7
280.11920	0.6
281.09299	0.4
281.12744	0.7
283.10770	6.3
291.07782	1.0
291.11258	3.8
292.08524	0.4
292.11697	0.5
293.12793	7.4
294.13443	0.5
295.10992	0.9
295.14432	0.9
297.12283	2.7
297.15344	0.4
298.13052	1.6
305.09219	1.1
305.12708	0.4
306.13962	0.5
309.12317	1.7
310.13098	6.0
311.13843	6.3
312.14484	0.9
313.68954	0.4
314.14252	0.4
319.10657	1.5
321.12088	0.9
323.10309	1.7
323.13852	26.0
324.14545	3.4
325.15439	35.7
326.15875	1.5
337.11786	0.9
339.13638	0.9
340.13959	0.7
344.14044	0.6
349.15631	0.5
350.16428	0.7
351.09378	0.3
351.13330	7.4
351.17368	0.8
352.14090	3.3
353.14929	6.9
354.15646	0.8
355.12753	0.4
357.14890	0.5
370.15106	1.1
371.16104	0.8
372.16940	1.0
373.18018	0.4
383.15994	37.7
384.16672	3.8
385.17551	50.7
386.18103	2.8
400.16858	0.6
414.17938	1.5
432.19385	0.7
439.11508	1.2
446.20743	17.1
447.21326	1.0
474.20258	13.9
475.20367	1.0
492.20654	0.4
494.22797	2.0
499.13293	1.6
506.22821	100.0
507.23196	6.0
525.24463	1.1
526.25525	1.8
531.15973	2.8
561.67517	0.4
578.24115	0.4
615.27710	2.4
647.30670	6.3
654.22284	0.7
745.27814	0.8
765.26111	0.8
809.24084	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	811.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
61.02927	1.8
69.03426	4.1
70.98074	0.5
71.01354	1.3
71.04989	4.9
71.71149	0.3
73.02914	11.2
75.04469	0.5
79.05507	0.4
81.03407	1.0
83.04965	4.1
83.85522	0.3
85.02902	10.2
87.04472	1.1
89.03907	1.6
95.04958	0.4
97.02885	7.5
98.91956	0.3
99.04449	0.8
103.03909	0.5
106.06553	0.7
107.04939	0.8
110.00889	0.3
111.04449	2.1
115.03940	2.0
117.03349	2.0
121.59561	0.3
122.80405	0.3
127.03920	0.9
127.79792	0.3
129.05460	2.2
133.04990	1.1
133.07597	0.7
134.06093	0.3
135.04408	5.5
139.03909	0.4
139.91425	0.3
144.02097	0.3
145.02832	4.4
145.07579	1.1
146.05984	0.4
147.06508	0.9
160.06345	1.7
161.07086	6.8
163.03894	45.3
164.04204	0.7
171.05464	0.5
172.06219	0.4
173.07094	15.6
174.05507	0.5
174.07259	0.4
181.04932	1.2
185.07115	0.3
186.07870	0.5
190.07352	1.0
191.08136	68.9
192.08400	1.0
203.08119	1.1
209.09193	100.0
210.09576	2.7
215.08153	1.2
225.07628	0.5
233.09219	3.6
243.08473	0.3
251.10312	2.5
257.09119	0.4
269.09344	0.4
287.10150	0.6
299.10156	0.7
301.12021	0.4
307.08066	0.8
317.11258	1.1
319.12845	1.1
325.09167	10.7
326.09296	0.4
335.12372	2.1
337.13602	0.9
341.13260	1.4
355.14929	5.4
371.14529	0.8
383.14676	0.4
454.50232	0.4
487.18924	1.1
515.15991	1.2
533.17596	12.4
534.17847	0.7
679.22479	0.7
811.25323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.9
61.02912	3.6
69.03419	7.1
71.01346	3.2
71.04974	9.0
71.43791	0.9
73.02911	21.6
74.76791	0.9
79.05479	1.4
81.03432	2.2
83.04989	7.7
85.02895	20.9
87.04459	1.8
89.03910	3.1
94.29298	0.8
95.04993	1.1
95.57076	0.9
97.02895	12.0
99.04449	2.2
103.03944	1.2
106.06555	1.1
107.04968	1.4
109.02851	1.1
111.04456	4.3
115.03931	5.4
117.03374	2.5
121.06506	1.4
127.03924	2.0
129.05479	5.0
129.45435	0.9
132.04439	1.0
135.04404	9.5
145.02840	6.2
147.06502	2.0
147.31059	0.9
148.06303	2.3
163.03894	60.7
163.05060	17.0
173.07137	1.0
175.05110	2.0
175.08585	1.4
176.05785	12.7
177.06586	2.9
181.04976	2.1
187.05020	1.6
189.06584	3.4
190.07368	2.6
191.08141	35.9
193.09726	4.5
194.06837	31.7
195.06976	1.2
201.06638	1.4
203.08206	2.0
207.07654	1.4
208.08337	0.8
209.09192	100.0
210.09586	1.5
215.08223	1.5
215.13068	1.0
225.07767	1.6
228.08652	0.9
233.09221	6.4
236.07892	2.6
250.11739	2.7
251.10275	6.3
275.10165	1.0
287.10233	1.5
301.11920	1.2
311.13785	1.3
317.11349	3.4
319.12802	1.7
325.09128	16.0
335.12335	3.2
341.13443	1.2
353.15027	1.7
355.15005	8.4
370.17651	3.3
371.17841	2.4
383.14249	1.4
418.13037	1.1
487.19138	3.4
533.17480	9.5
811.25653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.9
62.80370	0.7
67.05509	2.1
68.05058	0.9
69.03421	1.0
70.06598	8.8
70.46445	2.0
70.47506	0.8
72.19576	0.6
78.44477	0.8
79.05470	1.3
80.46931	0.7
81.03397	1.3
83.04994	1.0
85.02898	2.4
86.09690	3.3
91.05483	5.7
93.07036	4.9
94.06556	3.0
95.04974	3.1
97.02898	1.6
104.34093	0.8
105.04524	1.2
106.80844	0.8
108.08118	1.6
111.08062	3.4
115.08704	0.9
117.07065	0.9
120.08105	4.5
121.06508	1.4
122.06039	5.4
127.03892	1.2
127.08665	1.8
132.08093	1.0
134.09671	4.2
135.08064	2.0
136.07562	6.6
138.09161	1.0
140.07182	1.0
150.09134	2.9
152.10718	2.5
154.05090	0.9
155.08128	4.5
157.76241	0.7
160.07530	1.3
162.09137	29.6
163.07549	1.5
164.07056	1.2
166.08623	2.6
166.12579	0.9
174.09120	1.1
177.07877	0.8
177.10280	1.1
180.10194	22.4
184.07507	0.8
187.08714	2.0
188.10854	1.4
189.10193	1.1
190.08661	5.8
199.08675	1.8
201.06490	1.2
201.10255	6.5
208.09686	50.1
209.10025	1.5
213.06642	1.0
213.10219	3.2
215.08180	5.4
215.11792	3.7
216.08891	4.2
225.10225	1.7
226.08632	1.5
227.08104	4.9
227.11787	1.0
229.09731	6.4
237.10307	1.0
239.11801	2.1
241.09714	5.4
243.11322	7.5
244.12086	2.4
245.12866	2.5
247.10968	1.5
250.10870	1.1
251.11667	0.9
253.09744	2.5
253.16554	1.3
255.11412	2.0
257.09262	0.9
259.10751	18.5
261.12363	9.1
263.11777	1.0
265.09702	1.3
265.13293	1.2
267.11343	2.8
269.09198	2.3
270.78571	0.9
271.10721	6.5
279.11325	1.5
281.09247	1.0
283.10803	1.5
285.08606	1.2
287.10272	24.1
287.13553	1.4
288.10886	2.9
289.11826	23.1
295.10632	1.2
296.11243	1.2
297.12302	1.5
302.15094	1.2
309.12234	1.3
311.10217	2.0
311.13782	1.7
313.11731	3.8
319.12885	22.0
320.13419	1.5
321.14471	16.7
325.11673	1.5
327.13062	0.9
337.11649	1.2
339.13443	1.5
341.11273	1.9
343.12799	1.5
345.14508	1.9
346.14905	1.2
355.12753	1.1
369.14423	1.8
370.15228	1.3
371.12018	1.6
371.16208	1.8
373.14117	2.5
410.16956	9.2
418.16898	1.0
432.19186	1.3
442.19733	100.0
443.20209	4.8
448.19110	1.1
450.19995	1.5
460.18457	1.9
468.21094	1.0
476.17697	0.9
477.18158	1.3
478.19516	1.5
484.20343	1.3
492.21277	5.0
494.19339	1.9
496.20703	2.1
508.20691	1.2
510.22153	1.8
526.21692	2.8
586.23840	2.9
599.24390	1.7
600.47321	0.9
604.25244	4.1
617.25940	7.7
618.26013	1.1
631.27759	4.2
649.28625	34.2
650.28833	3.2
811.33667	3.4
812.48029	7.3
816.54382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69721	1.6
67.05498	2.6
71.42742	2.2
79.05484	2.5
81.03422	2.7
81.07054	2.4
81.72993	1.8
83.16743	2.0
85.02908	4.3
91.05465	5.3
93.07037	16.4
95.04955	4.2
95.08611	7.1
105.07023	15.0
107.04951	3.0
121.06511	10.6
123.07163	2.7
123.08072	46.0
127.03917	2.2
133.06487	31.1
149.05971	17.2
151.07538	100.0
152.07913	3.4
163.03908	5.4
167.07027	20.7
169.08582	4.9
189.40802	1.6
212.09192	3.7
295.11761	1.9
313.12820	10.2
327.10620	13.3
331.13577	2.2
429.73499	2.1
691.24524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05026	0.6
69.07063	1.1
69.09205	0.4
70.06585	100.0
71.04986	0.6
71.06918	0.8
72.61515	0.4
75.05598	0.9
84.08125	0.7
85.07664	1.1
86.09695	36.4
95.06069	1.2
97.07644	1.4
98.06022	1.2
98.22729	1.8
103.05437	1.2
110.26301	0.6
111.09220	0.8
112.08714	14.0
113.07133	2.2
114.10255	0.8
115.08672	6.4
117.69085	0.5
120.08095	43.2
121.08414	0.6
124.08726	1.0
127.08660	18.2
132.08075	0.8
136.08727	0.6
138.12799	1.2
139.08693	0.6
139.09714	0.6
140.08179	1.7
141.10240	2.0
143.11742	2.5
152.08235	0.5
153.10233	0.7
155.08131	47.4
156.08604	0.6
157.10893	1.2
166.09795	2.2
167.08122	3.4
168.11319	2.4
169.09711	0.9
172.10786	3.4
177.10234	4.8
180.10126	0.6
181.09645	0.6
183.12386	10.7
183.14948	1.2
192.11336	1.9
192.15010	1.1
195.14915	0.7
205.09686	2.9
208.09564	0.6
208.14474	0.6
211.11937	3.7
211.14444	0.7
212.10275	0.7
223.12009	0.7
226.11903	1.8
228.89215	0.6
231.11519	0.7
233.16490	4.2
240.14598	1.3
242.55502	0.5
245.16368	1.0
251.11472	0.6
253.16547	7.1
257.12930	0.6
261.16022	0.7
268.14026	2.7
273.15988	1.1
274.15472	4.8
283.14331	0.6
285.16592	0.9
300.77396	0.5
302.11496	0.8
302.14948	14.7
310.15302	0.5
314.15079	1.3
324.20355	0.6
331.17889	1.3
353.22855	2.9
357.16443	0.9
381.22528	0.8
387.23941	1.9
400.23419	0.8
407.24313	0.7
414.24973	0.6
415.23508	1.2
423.23322	0.7
442.19684	0.6
524.46729	0.7
526.31134	1.2
541.29321	0.9
554.30750	2.5
571.33289	0.8
597.35193	0.8
654.37122	0.9
682.36444	1.3
767.45593	0.7
784.48199	1.8
785.41650	0.6
795.45660	1.1
812.47626	99.1
813.39325	5.0
813.48798	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.3
71.00564	0.3
71.42191	0.3
76.09339	0.2
84.04501	86.7
84.08141	2.7
85.02911	1.8
85.04815	0.8
91.03951	0.4
97.02887	0.6
101.07134	6.4
101.90349	0.2
102.05541	3.0
127.03902	0.3
130.04996	99.5
130.08641	1.2
131.05363	1.2
143.90707	0.3
145.04909	0.4
147.07637	100.0
147.11264	2.4
148.06076	1.8
148.07961	0.9
163.06004	0.7
199.05482	0.3
204.88818	0.3
264.07196	0.3
311.92160	0.4
326.44165	0.3
370.97006	0.3
407.10153	0.4
479.23383	0.3
501.58759	0.3
701.89368	0.3
754.64844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.4
65.37745	1.6
67.05512	4.1
69.03415	2.9
71.01392	1.6
73.02921	3.5
79.05499	3.4
81.07072	4.4
85.02921	3.3
91.03954	2.5
91.05497	1.8
93.07077	3.9
95.08613	3.4
101.02361	1.8
107.08634	1.6
119.08614	1.9
121.10088	2.0
121.18208	1.6
177.25644	1.7
215.60591	1.7
243.08687	2.0
284.05661	1.8
313.09598	2.0
363.29251	1.6
414.33298	1.9
519.28925	8.0
535.28656	3.3
671.37048	2.2
735.06781	2.3
813.51190	100.0
814.51160	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	814.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03169	0.3
57.03431	3.2
59.04990	0.5
61.02913	2.2
63.02346	0.4
64.85954	0.2
65.03938	0.4
67.01842	0.7
67.05484	0.5
67.57838	0.2
68.05006	0.2
68.68040	0.2
68.99740	0.2
69.03071	0.4
69.03424	5.8
69.24957	1.3
70.06585	13.5
71.01350	1.4
71.04989	6.6
71.06921	1.9
73.02912	14.1
75.04455	0.5
79.05469	0.9
81.02962	0.4
81.03412	4.7
83.04977	5.4
85.02898	13.9
86.09696	5.4
87.00825	0.5
87.04438	0.7
87.10019	0.4
89.03902	3.9
91.05472	9.1
95.04945	0.8
97.02885	9.1
98.23531	0.4
99.04465	1.4
101.05962	0.3
101.24281	0.2
103.03920	0.5
103.05473	0.3
104.12917	0.2
105.07011	0.3
107.04941	1.3
109.02871	6.0
111.04435	3.8
112.08714	1.7
113.07085	0.3
113.09049	0.3
115.03920	3.2
115.05453	0.7
115.08658	0.9
117.03367	5.2
117.06995	0.7
119.74689	0.2
120.08092	6.5
121.08430	2.0
122.92897	0.2
123.04424	0.4
125.02330	0.3
127.03898	6.5
127.04849	0.3
127.08662	2.5
128.08995	0.3
129.01820	0.3
129.05472	3.3
133.04964	2.3
133.06473	0.4
135.04398	11.5
137.02348	3.4
137.03389	0.4
139.03882	0.7
140.08139	0.3
143.04861	1.4
145.02835	10.9
145.83096	0.2
146.08070	0.2
147.02914	0.2
147.04471	0.2
147.06512	1.6
151.03851	0.2
155.06931	0.4
155.08134	6.6
156.08516	1.7
161.05942	0.9
163.03885	100.0
164.04231	2.2
165.05467	0.3
167.08211	0.3
171.06531	0.4
172.10812	0.5
177.05493	0.8
177.10193	0.8
181.04941	6.7
181.06363	0.2
183.12375	1.1
184.12784	0.4
199.07358	0.2
205.09619	0.3
211.11859	0.4
213.03903	0.9
217.08548	0.4
225.07422	1.1
227.07065	0.6
231.05006	0.5
233.16490	0.4
234.16768	0.4
243.06577	0.3
243.08760	0.5
245.08167	0.3
247.06012	0.4
253.08499	0.5
253.16525	0.6
261.09662	0.4
268.13913	0.3
271.06033	0.5
274.15460	0.4
275.15991	0.3
289.07013	0.4
296.13394	0.5
302.14835	1.2
303.15158	1.0
307.08151	1.4
362.32333	0.2
375.06979	0.4
393.08273	0.7
411.09171	42.2
412.09406	1.8
501.13803	3.1
502.13730	0.3
813.47980	11.1
814.48138	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	814.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
61.02923	1.0
65.03928	2.8
67.05495	3.2
69.03417	2.6
69.07059	0.8
70.06578	1.1
71.04980	1.1
71.43233	0.7
73.02913	0.9
81.03396	1.8
81.07046	1.9
81.74324	0.6
83.04947	1.2
85.02911	3.6
85.03355	0.7
85.06528	0.7
87.00827	1.1
91.04945	1.1
91.05475	16.2
93.03396	1.9
93.07013	1.5
95.04963	1.1
95.08606	1.9
97.02890	39.9
105.07002	1.4
107.08607	1.3
109.02864	0.9
109.10144	2.2
111.04447	1.2
113.09622	0.7
119.04937	25.2
119.08569	4.3
121.02852	1.1
123.11637	0.8
123.67171	0.7
125.02277	0.9
127.03925	1.8
129.03452	0.8
129.05476	0.8
133.10095	3.8
141.06989	1.0
144.05516	0.9
145.02829	1.0
145.06432	0.9
147.04399	23.6
149.02354	3.2
157.03944	2.7
159.08052	0.9
163.03822	1.1
164.04651	0.7
167.03398	16.5
167.07040	1.2
169.06517	1.1
175.03896	40.0
175.14796	3.4
176.04330	1.4
179.06946	1.6
181.04936	1.9
187.07545	2.4
192.04092	0.9
207.06509	100.0
208.06889	1.9
215.07114	0.9
219.06470	1.8
219.10075	1.3
229.08588	2.1
247.09673	2.4
251.09053	0.7
257.08066	1.9
275.09113	5.9
283.26379	1.7
284.27103	0.7
303.08533	2.4
315.08691	0.8
321.09647	11.8
325.40646	0.9
339.10669	2.9
411.10690	1.0
432.72171	0.7
437.25272	0.9
455.11990	1.8
455.26599	0.9
467.26367	0.8
587.16003	8.8
814.41516	1.5
835.18109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.5
59.05001	0.7
65.03919	0.6
67.05502	8.0
67.05865	0.5
69.03444	0.3
69.07064	5.6
69.07436	0.3
70.06597	0.6
71.43153	0.3
74.72973	0.3
79.05476	2.2
81.03427	0.3
81.07051	6.0
83.04985	0.5
83.08610	1.5
85.02919	0.6
85.06537	1.0
91.05476	6.4
93.07036	4.3
95.04965	1.0
95.08603	18.0
97.02885	5.1
105.07023	11.5
107.08586	5.1
109.06513	0.5
109.10152	21.0
110.10466	0.4
115.05481	0.6
117.07014	1.7
119.04912	1.6
119.08574	43.1
120.08896	0.4
121.10165	2.7
123.08077	0.8
123.11688	1.4
123.95888	0.3
131.08595	1.9
133.10121	52.4
134.10506	0.9
135.11679	8.5
137.09615	7.1
145.10106	4.1
146.10826	0.3
147.04425	1.3
147.11671	11.7
149.02347	0.6
149.13268	2.6
151.11082	0.3
151.14807	3.5
159.11687	0.7
160.12495	2.4
163.11200	0.4
167.03410	2.9
173.11772	0.3
173.13219	1.1
175.03891	3.0
175.14810	100.0
176.15178	3.5
177.05487	0.8
193.15871	20.7
194.16261	0.4
200.33635	0.4
207.04665	0.6
207.06499	8.2
227.05463	0.5
265.14432	0.5
275.09052	1.1
303.08585	0.4
321.09705	1.9
339.10684	0.6
437.25162	0.8
455.26215	1.0
481.16211	0.4
587.15356	0.6
621.23114	0.8
653.25226	1.1
783.27271	0.4
792.90717	0.3
814.41577	0.5
815.29535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
63.02382	0.9
65.03918	0.5
67.05489	1.8
69.03428	4.9
69.07067	7.7
69.72628	1.9
70.06577	0.9
71.04974	1.8
72.08139	1.0
73.02945	0.4
73.06538	0.6
75.12162	0.5
77.03934	0.8
79.05491	5.4
81.03400	2.1
81.07040	2.9
83.04977	19.1
85.02905	2.3
85.06566	0.8
89.03906	6.5
91.05483	5.9
93.07029	5.1
95.04965	4.6
95.08601	1.3
97.02866	1.9
97.06531	16.9
99.04464	3.9
103.05475	1.0
105.04495	1.1
105.07022	15.4
107.04941	2.4
107.08580	3.7
109.02863	0.9
109.06483	2.5
116.06136	0.5
117.03375	18.1
117.07010	3.0
119.04925	1.7
119.08583	2.5
121.06502	10.9
123.08066	0.7
125.05984	30.4
125.65526	0.4
127.03902	0.8
128.06175	0.8
129.07019	1.7
130.07779	1.3
131.04942	0.8
131.08577	4.5
133.06480	2.7
133.10127	2.1
134.03633	1.4
135.04414	3.4
135.08025	0.8
135.11688	1.3
137.05960	2.2
139.07542	0.7
141.07016	1.0
143.07028	21.7
143.08536	1.5
144.09329	1.7
145.02837	51.5
145.06494	3.4
145.08960	1.1
145.10117	23.6
146.03186	1.0
147.08057	1.0
147.11707	1.0
149.05969	7.4
151.07497	3.7
154.07742	0.8
155.08530	1.4
157.08548	0.8
157.10077	0.6
158.06151	0.6
158.07254	3.0
159.08081	3.0
159.11685	10.3
159.12952	0.8
161.05966	0.9
161.09566	0.7
163.03903	4.9
163.11186	4.9
164.04320	0.5
169.10098	3.1
171.95001	0.6
172.08809	1.6
173.09608	21.0
175.07460	0.8
177.05458	100.0
177.12727	5.1
178.05791	2.3
182.07321	0.6
183.06459	0.9
186.05482	0.7
187.11174	20.4
189.12732	1.4
191.10643	7.9
195.06514	1.7
197.09586	2.2
205.10284	1.1
205.12227	18.5
209.11717	1.5
215.10663	27.7
233.11714	18.9
233.13481	0.3
234.12114	0.7
251.12813	5.5
312.56552	0.5
321.09607	1.2
326.17017	1.0
339.10593	2.2
369.07874	1.2
407.13138	0.6
425.14545	0.7
433.37149	0.6
619.20483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.76279	0.5
61.34077	0.5
62.24945	0.5
67.05485	2.3
69.03426	3.8
69.06711	0.7
69.07059	7.0
70.06570	1.0
71.01321	0.6
71.04968	2.0
72.08163	1.2
72.32594	0.6
73.02901	0.7
73.06519	0.9
78.00641	0.5
79.05490	5.9
81.03398	1.8
81.07059	3.5
83.04969	21.0
85.02895	1.8
89.03902	7.3
91.05467	7.0
93.07030	4.5
95.04957	4.3
95.08582	2.2
97.02864	2.0
97.06520	15.5
98.23527	1.1
99.04417	3.7
103.05439	1.1
105.04495	0.7
105.06342	1.1
105.07018	15.2
106.04192	0.8
107.04948	2.2
107.08584	3.2
109.02875	1.3
109.06499	2.8
111.04438	0.6
113.72002	0.5
115.05412	0.6
117.03366	20.7
117.07007	2.7
119.04972	1.3
119.08554	3.7
121.06488	11.0
121.10165	1.2
125.05978	28.9
127.03913	0.9
128.06236	0.9
129.05409	0.6
129.06940	1.0
130.07788	0.9
131.04932	0.8
131.08559	5.3
133.06467	2.9
133.10097	2.0
134.03595	1.7
135.04388	3.3
135.08081	0.7
135.11725	1.0
137.05965	1.7
139.07541	0.8
141.06950	1.2
143.07014	21.5
143.08508	2.0
144.09322	1.6
145.02831	53.5
145.06441	2.4
145.10100	23.7
147.04433	0.9
147.07961	0.7
147.11665	1.4
149.05960	7.6
151.07552	4.1
154.07776	1.0
155.08519	1.2
157.08618	0.6
157.10060	1.0
158.07257	2.2
159.08015	3.5
159.11690	10.4
161.09598	0.9
163.03883	6.0
163.07556	0.9
163.11182	5.7
164.04242	1.0
169.10077	3.0
171.08014	0.9
172.08862	0.9
173.09598	21.9
174.09822	0.7
177.05446	100.0
177.12733	5.6
178.05838	2.8
179.08624	0.8
182.07295	0.8
186.05444	0.9
187.11145	19.8
189.12759	1.3
191.10645	7.3
195.06493	1.6
197.09619	2.3
199.53014	0.6
205.12199	17.9
205.14055	1.0
207.13756	0.9
209.11670	2.0
215.10651	27.6
216.10948	1.2
229.67603	0.6
233.11702	19.2
251.12740	5.7
257.11572	0.7
261.93942	0.7
265.22293	0.6
273.48456	0.6
321.09381	0.6
326.17410	0.7
339.10712	2.9
348.32065	0.6
369.07928	0.8
407.13138	0.8
425.14642	0.8
619.19775	1.5
660.90729	0.7
666.78162	0.7
712.46820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.1
65.03924	0.5
67.05502	0.6
68.99755	1.2
69.03428	2.6
71.04957	1.1
73.02925	1.9
77.03876	0.4
79.05457	0.6
81.03393	1.0
83.04943	1.4
85.02894	4.1
89.03915	2.2
91.05466	1.2
93.03382	0.7
95.04939	1.8
97.02340	0.5
97.02888	5.2
98.23531	0.6
99.04410	0.6
107.04926	1.2
109.06488	0.7
110.03606	0.8
111.04405	2.8
115.03889	0.5
117.03368	8.4
117.06969	0.4
121.02854	0.5
121.06485	0.8
123.04417	4.8
125.05979	23.4
127.03870	0.7
128.87617	0.4
133.02834	0.6
134.03650	0.6
135.04366	1.5
137.05960	5.1
139.03886	1.0
142.74641	0.4
145.02841	31.1
149.05988	3.8
151.03896	10.6
152.04727	2.0
153.05455	43.4
154.05804	0.9
163.03883	1.6
165.05464	7.7
167.07030	8.4
177.05455	100.0
178.05829	2.2
180.11603	0.4
183.06514	69.6
184.06902	0.7
195.06544	2.2
321.09641	1.0
339.10706	25.7
340.11191	0.6
489.13605	0.6
521.16632	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	816.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	17.9
65.03930	3.7
67.05502	30.5
69.03417	2.4
69.07068	9.7
69.50402	3.7
69.50792	2.6
70.56092	1.5
71.04997	4.6
79.05457	8.0
81.03415	81.0
81.07043	13.1
82.61127	1.5
83.04987	5.7
83.08617	2.9
85.06542	3.3
86.55358	1.6
90.98247	1.6
91.05457	10.9
93.07024	18.7
95.04964	87.1
95.08601	18.9
97.06524	19.6
99.04460	10.1
103.05466	1.9
105.07021	14.3
105.95932	1.7
107.04948	4.5
107.08582	19.0
109.06516	20.9
109.10144	39.0
111.08083	4.1
115.05407	1.7
117.06992	5.0
118.06572	1.5
119.04939	2.3
119.08578	15.8
121.06488	16.5
121.10146	13.0
123.04416	15.9
123.08055	37.5
123.08899	2.6
123.11710	6.3
125.09637	17.3
128.06233	3.0
129.06999	5.9
131.04910	2.8
131.08553	10.8
133.06490	5.0
133.10117	18.3
135.08057	20.1
135.11687	11.4
135.73790	1.6
137.06007	2.0
137.09619	8.5
141.06944	2.0
142.55418	1.5
143.08591	8.9
144.09293	2.6
145.06473	12.1
145.10121	13.9
147.08052	8.7
147.11678	6.5
149.05925	2.8
149.09592	10.4
149.13243	4.5
151.07527	4.0
151.11180	31.6
153.09081	2.0
153.12753	4.3
155.08560	4.1
157.10098	9.3
158.10867	5.5
159.08043	6.6
159.11652	7.6
161.09599	15.2
161.13280	2.8
163.07555	3.3
163.11180	7.5
163.14833	5.5
165.07050	2.0
165.09099	2.5
167.10532	2.6
167.14319	4.0
169.10129	4.4
169.12210	2.0
171.08037	5.1
171.11670	7.6
173.09650	10.5
173.13263	22.8
175.07846	1.5
175.11191	9.2
176.11909	4.7
177.09091	5.0
177.12738	3.7
179.07043	5.3
179.08519	2.1
179.09059	2.0
179.10681	19.0
183.08055	3.9
183.11655	3.7
185.09628	6.7
185.13260	6.3
187.07558	2.3
187.11191	7.0
189.09100	4.2
189.12744	8.2
191.10625	3.7
191.14307	56.7
192.14586	1.9
193.08516	2.0
193.12350	2.4
195.11693	2.3
197.09653	5.0
197.11629	2.0
197.13313	3.0
199.11172	8.8
201.09163	2.6
201.12689	4.0
203.10760	2.8
203.14255	3.4
204.14815	1.8
205.08548	2.8
205.12123	8.0
207.10117	6.1
207.13852	3.5
209.09682	2.1
209.13388	3.5
209.15337	32.0
211.11168	9.1
212.11972	2.7
213.12721	6.3
215.10654	5.6
215.14308	3.9
217.12289	4.5
219.13736	18.0
223.01535	2.2
225.09227	2.0
225.12804	3.3
227.10655	2.9
227.14302	2.9
229.12236	3.6
231.13736	7.9
233.11656	4.0
238.13272	1.9
239.14297	4.6
241.12160	2.4
241.15782	4.5
243.13904	3.3
245.15398	5.3
251.14336	2.2
253.15996	3.9
255.13815	2.1
257.11926	2.3
257.15344	9.1
259.13229	1.8
263.16434	3.3
267.17538	3.0
269.15308	5.3
271.13239	5.0
271.16977	4.2
281.17453	11.6
285.18494	6.8
287.16364	12.9
289.14182	5.5
295.16876	11.6
298.15695	2.1
302.17438	4.9
303.19205	1.8
305.17447	18.4
313.17957	71.4
314.18036	2.5
329.73926	1.9
331.19025	82.5
332.19272	3.6
349.20078	100.0
350.20416	4.3
357.20609	2.1
365.19547	16.9
373.20026	4.7
375.21585	3.5
391.21103	13.3
392.21664	1.7
393.20486	3.5
408.23990	12.2
411.21371	1.8
643.35785	3.3
654.43268	4.1
661.37170	5.4
679.38513	5.4
721.39313	3.3
739.39795	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	816.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.2
57.03438	13.8
57.07074	1.8
59.04995	1.7
60.88649	1.1
65.03944	3.1
67.05499	21.4
69.03429	5.8
69.07059	14.9
70.62802	1.4
70.79059	1.0
71.04982	4.3
73.71248	1.0
77.03946	1.2
79.05467	7.0
81.03413	62.2
81.07047	12.7
83.04977	5.6
83.08625	2.7
84.37404	0.9
85.06522	2.2
91.05470	10.4
91.14314	0.9
93.07045	14.4
95.04961	70.4
95.08602	13.1
96.05279	1.0
96.08926	1.0
97.06525	23.6
99.04453	12.3
99.08078	1.5
103.05411	1.3
105.04501	1.3
105.07020	15.2
107.04927	5.8
107.08586	20.3
109.06512	15.4
109.10147	26.8
111.08089	4.6
113.05988	2.0
115.05521	1.2
117.06998	2.9
117.23946	1.0
118.06537	1.3
119.04956	1.4
119.08585	15.3
121.06501	12.0
121.10142	10.1
123.04423	13.1
123.08062	21.2
123.08897	1.4
123.11694	5.8
125.06033	1.3
125.09624	14.8
128.06216	2.2
129.07005	3.0
131.04961	2.3
131.08568	11.4
133.06520	5.4
133.10132	16.5
135.08058	17.5
135.11661	7.5
137.05972	2.5
137.09595	8.4
139.07562	2.5
141.05418	2.1
141.07034	1.3
142.07767	2.2
143.08565	8.8
144.09308	1.1
145.06496	11.9
145.10121	14.3
146.07257	1.4
146.09705	1.0
147.08018	10.7
147.11649	6.4
149.05984	1.8
149.09602	10.7
149.13261	3.0
151.07559	3.0
151.10027	1.9
151.11176	26.4
153.09074	1.2
153.12738	3.7
155.08556	2.8
156.09322	2.1
157.06512	1.7
157.10086	8.9
158.10930	4.4
158.12392	1.0
159.08006	7.3
159.11674	7.2
160.08736	2.1
161.05963	2.1
161.09607	17.8
161.13249	2.5
163.07526	2.7
163.11140	6.0
163.14816	3.5
165.09094	2.3
167.10687	3.2
167.14281	2.2
169.10126	4.2
169.12265	1.8
170.10814	1.9
171.08066	3.0
171.11684	9.4
172.08742	1.3
173.09608	9.5
173.13245	18.4
173.14729	1.3
174.10207	2.1
175.07607	1.9
175.11174	9.9
176.11935	4.3
177.09125	5.8
177.12733	5.0
179.07053	3.2
179.10669	16.4
180.48412	1.0
181.10083	2.4
182.10892	1.1
183.08041	2.6
183.11723	3.6
184.08864	1.6
184.12640	1.0
185.09578	8.6
185.13245	5.6
186.10394	1.5
187.07578	1.4
187.11192	8.0
187.14746	1.3
189.09093	6.7
189.12727	8.0
190.08643	1.5
191.10661	3.1
191.12537	2.2
191.14284	41.9
193.10286	1.2
193.12221	2.4
195.10118	2.5
195.11731	2.6
197.09636	5.2
197.11562	1.4
197.13338	2.5
199.11211	5.7
199.14830	3.0
200.11894	1.2
201.09213	2.2
201.12776	7.2
203.10686	3.8
203.14320	2.7
205.08627	3.5
205.12276	7.7
207.10062	5.2
208.12544	1.3
209.09760	2.2
209.13332	2.5
209.15317	21.1
211.11139	8.5
211.14813	2.1
212.12000	2.3
213.12689	7.7
215.10684	4.2
215.14311	3.7
217.12224	4.4
217.15735	1.4
219.13782	15.1
223.11104	1.4
223.14688	1.6
225.12746	2.6
227.10773	2.5
227.14343	5.2
229.12202	2.4
229.15884	2.5
231.13785	5.6
233.11729	1.5
237.14801	2.3
239.14282	5.6
241.15901	3.9
243.13808	2.9
245.15446	5.9
251.14238	2.0
253.12184	1.5
253.15915	3.3
255.13756	2.1
257.15347	9.1
259.13477	1.2
259.16998	2.7
261.14801	1.2
263.07062	1.0
263.16415	3.9
267.17514	3.9
269.15341	7.0
271.13275	3.4
271.16885	3.1
274.17999	1.5
275.16348	1.7
281.17468	11.9
285.18497	6.1
287.16360	14.7
289.14404	3.9
295.16983	7.0
302.17508	13.6
305.17441	17.9
313.17957	62.2
314.18298	2.6
331.19003	67.0
332.19135	2.0
347.18710	1.4
349.20056	100.0
350.20309	5.2
357.20728	1.6
365.19592	18.6
366.19852	1.0
373.20108	4.4
375.21606	3.8
391.21152	10.8
392.21170	1.0
408.23788	3.9
446.41370	0.9
636.41876	2.7
643.36450	2.4
654.43213	7.8
661.36920	4.1
679.37677	4.8
721.39203	2.3
739.40314	2.1
816.48694	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	816.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	15.4
61.21847	2.7
65.61735	3.3
67.05501	26.9
69.03442	3.7
69.07074	14.1
71.04994	4.1
77.60021	3.3
79.05489	9.9
80.24988	3.6
81.03410	63.6
81.07062	12.9
81.25049	3.0
83.04980	8.8
91.05487	10.4
93.06548	3.5
93.07028	17.2
95.04967	75.2
95.08580	14.3
97.06522	15.3
99.04463	13.5
105.07040	17.2
107.04964	9.5
107.08595	19.3
109.06522	18.7
109.10168	30.0
111.08049	3.4
113.06039	4.0
117.06995	4.4
119.08585	17.6
121.06495	9.8
121.10118	10.3
123.04455	14.8
123.08049	33.8
123.11716	10.4
125.09631	13.3
131.08562	9.0
133.06522	6.5
133.10127	21.4
135.08076	17.7
135.11696	12.3
137.09599	10.7
141.05418	3.2
143.08586	10.3
144.09331	2.9
145.06500	6.8
145.10124	13.2
147.08061	12.5
147.11746	7.1
149.09644	14.2
151.07610	3.3
151.11205	31.7
151.12363	4.3
153.12785	3.1
155.08563	6.7
157.10117	8.1
158.10872	5.8
158.99596	4.0
159.08096	7.1
159.11658	6.3
161.09590	18.4
161.13196	4.1
163.11191	8.6
163.14832	6.3
167.08607	5.2
167.10739	3.9
169.10168	5.3
170.10970	3.2
171.08037	3.2
171.11685	7.1
173.09659	13.4
173.13258	22.7
175.07422	3.4
175.11203	10.5
176.12036	4.0
177.09085	5.9
179.07048	3.8
179.10706	13.2
183.11646	4.1
185.05975	3.2
185.09583	9.8
187.11179	7.4
189.09181	7.2
189.12801	8.6
191.10667	3.5
191.14290	53.2
195.11734	3.3
197.09682	4.3
199.11200	9.1
201.09102	5.1
201.12819	3.5
205.12268	11.9
207.10155	4.9
209.15355	28.7
211.11172	5.6
213.12700	8.6
217.12241	5.0
219.13777	16.7
225.12906	3.9
227.14297	6.9
229.12239	5.1
231.13770	8.4
239.14430	7.6
241.15790	3.7
245.15395	5.0
253.15964	4.1
257.15234	5.9
267.17377	4.4
269.15320	5.4
271.13367	3.9
271.16946	3.7
281.17484	11.8
285.18500	6.6
287.16449	10.9
295.16925	13.1
302.17429	13.5
305.17358	18.3
313.17929	71.9
320.21982	3.3
331.19052	88.3
332.19522	4.1
343.83295	3.1
349.20099	100.0
365.19736	17.2
373.20117	5.7
375.22037	2.9
391.21237	10.4
393.20682	3.7
408.23816	12.9
544.25317	3.3
551.45184	3.2
632.20892	2.8
654.43365	8.0
661.37122	6.4
679.37146	4.0
700.87653	3.4
721.38678	5.8
816.49194	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	818.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
58.25756	0.2
59.04984	0.2
61.02921	0.4
63.02382	0.4
69.03430	2.2
70.55098	0.3
71.01364	0.7
71.04985	4.0
73.02905	0.8
75.04464	0.3
79.05510	0.3
81.03379	1.0
83.04970	3.2
85.02899	13.1
87.04496	0.2
89.03905	2.4
91.05474	0.4
95.04972	0.3
97.02889	3.7
99.04443	0.9
99.83229	0.2
101.02410	0.2
103.03938	2.1
106.04130	0.2
109.02889	0.4
111.04440	2.4
113.02364	1.7
117.03367	8.6
119.04974	0.2
123.04350	0.3
127.03929	0.6
129.05473	2.3
131.03389	2.6
134.03658	0.3
135.04427	0.7
137.05943	0.3
139.03888	0.4
145.02832	37.7
146.03178	0.7
147.06500	1.8
149.05972	3.5
151.07532	0.8
157.04962	0.8
163.03896	0.8
168.45563	0.2
171.06439	0.3
175.06073	0.2
177.05449	100.0
178.05779	2.5
179.07042	0.5
186.05554	0.5
195.06488	1.9
213.07590	0.3
259.08084	0.8
279.08490	0.3
282.78983	0.3
287.09061	0.4
305.09857	0.3
318.04303	0.2
321.09573	0.9
323.11142	0.8
339.10709	23.5
340.10925	0.9
447.83835	0.2
453.13690	0.2
474.02432	0.2
520.70575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
59.05007	0.2
61.02917	0.3
62.01593	0.1
63.02378	0.2
65.03917	0.1
67.05482	0.2
67.05813	0.1
69.03057	0.1
69.03426	2.0
69.71647	0.2
71.01350	0.6
71.04988	4.3
73.02908	0.8
73.77485	0.1
75.04466	0.5
78.04695	0.1
79.05487	0.2
81.03407	0.8
83.04974	2.8
84.05310	0.1
85.02898	12.4
86.03246	0.1
87.04453	0.2
89.03907	2.1
91.05458	0.4
93.03350	0.1
93.07053	0.1
95.04944	0.5
97.02883	3.8
97.06525	0.1
98.23474	0.1
99.04449	0.7
101.02374	0.2
103.03930	1.3
103.05479	0.1
106.04178	0.2
107.04967	0.1
109.02886	0.5
111.03652	0.1
111.04434	2.7
113.02369	1.6
113.06014	0.1
115.03909	0.2
117.03367	8.0
118.03716	0.1
119.04935	0.2
121.06483	0.2
123.04427	0.1
125.05979	0.2
127.03913	0.8
128.40710	0.1
129.05463	2.6
130.05923	0.1
131.03395	2.7
131.04916	0.1
133.06541	0.1
134.03619	0.4
135.04419	0.6
137.05991	0.3
139.03876	0.1
141.06845	0.1
145.02832	32.1
146.03157	0.5
147.04591	0.1
147.06512	2.0
149.05957	3.2
151.03886	0.1
151.07535	0.8
153.05475	0.2
155.03348	0.1
157.04956	0.7
161.05959	0.1
162.03094	0.2
163.03880	1.1
163.07602	0.1
164.04199	0.1
165.09103	0.1
167.06967	0.1
171.06503	0.3
175.06032	0.5
175.07458	0.1
177.05450	100.0
178.05797	2.0
178.07001	0.0
179.06978	0.6
181.08612	0.2
183.06644	0.1
186.05424	0.4
189.09134	0.1
191.07004	0.1
193.08548	0.2
195.06499	2.3
197.04315	0.1
207.06479	0.1
213.07571	0.3
217.08566	0.2
223.05952	0.1
235.09560	0.2
241.07071	0.3
259.07858	0.8
261.11142	0.2
277.09149	0.3
277.11267	0.1
279.08609	0.2
287.09088	0.2
305.10284	0.4
307.08151	0.3
312.12906	0.1
321.09647	0.8
323.11188	0.7
339.10712	24.2
340.11057	0.8
367.10220	0.2
434.67593	0.1
447.50766	0.1
453.13940	0.2
469.13419	0.3
485.16309	0.2
489.17508	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	818.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.04994	0.2
61.02927	1.1
62.01614	0.2
63.02371	0.2
65.03928	0.1
68.26783	0.1
69.03067	0.2
69.03427	3.6
71.01334	0.8
71.04993	3.8
71.05386	0.1
71.87051	0.2
73.02914	7.8
75.04463	0.4
78.04716	0.2
79.05489	0.5
81.03405	0.8
83.04523	0.2
83.04976	2.6
84.05317	0.1
85.02900	8.2
87.04454	0.5
89.03901	2.3
91.05470	0.3
95.04948	0.6
97.02886	6.4
99.04443	0.6
103.03971	0.4
104.06646	0.2
107.04924	1.4
109.02869	0.3
111.04450	1.8
115.03928	1.9
117.03368	8.8
119.04970	0.2
123.04412	0.6
127.03915	0.7
129.05469	1.9
133.04947	0.9
133.06418	0.2
134.03630	0.6
135.04404	2.1
137.05948	0.5
139.03935	0.4
141.23039	0.2
143.04857	0.2
145.02838	34.3
146.03162	0.6
147.04384	0.5
147.06470	1.1
149.05966	3.6
151.03844	0.2
153.05475	1.9
161.05920	0.2
161.21367	0.2
162.03032	0.2
163.03923	1.1
165.05458	0.3
167.03401	0.4
167.06941	0.2
171.06525	0.2
175.03923	0.3
175.07401	0.2
177.05457	100.0
178.05812	2.3
179.06941	0.2
186.05559	0.4
189.05396	0.3
195.06523	1.8
197.05981	0.2
203.07126	0.2
207.06474	0.8
225.07564	0.6
236.17706	0.2
243.08614	0.4
261.09689	0.4
279.10834	0.2
287.09042	0.4
305.09970	0.3
309.09698	0.7
321.09744	1.0
323.11279	0.8
336.29422	0.2
339.10727	22.2
340.10977	0.9
381.39804	0.2
452.32965	0.1
459.63345	0.2
473.14453	0.6
485.16248	0.2
491.15637	0.3
820.11542	0.2
853.45050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	6.6
67.05502	2.4
69.03419	1.5
70.06590	1.5
70.50982	1.3
72.08169	0.6
81.03428	1.0
83.04999	1.2
84.47438	0.6
84.70367	0.7
85.02900	1.7
86.09714	0.8
91.05476	14.0
93.03400	6.0
95.04955	1.4
97.02888	97.8
115.05414	0.9
119.04943	27.0
121.02843	3.2
121.06490	2.7
123.04433	1.3
125.02363	1.7
128.06186	0.7
131.04942	0.6
131.08571	1.5
133.13245	0.6
139.03870	1.6
140.04695	2.4
141.06969	2.9
144.05681	2.8
145.02864	1.7
147.04404	23.3
148.04822	0.7
149.02333	10.8
153.05449	1.6
154.06226	1.9
155.07045	3.0
157.03970	1.8
158.07254	0.8
159.08008	3.9
163.03908	3.3
165.05423	1.1
167.03394	67.5
167.83879	0.7
168.03746	0.9
169.05251	0.6
169.06436	3.4
173.06047	0.9
175.03903	47.7
177.05489	3.7
177.06767	0.7
179.07018	1.6
181.04942	5.8
182.86642	0.6
183.04463	0.7
187.07518	7.3
193.08633	1.2
197.05954	3.0
199.07501	0.8
207.06512	100.0
207.70276	0.6
208.06871	2.9
214.06363	0.8
215.06979	3.5
218.09404	1.4
219.06586	3.4
219.10074	4.7
225.75621	0.8
229.08603	7.1
242.05687	0.8
243.06528	1.7
244.07179	0.7
245.07964	0.8
247.09645	4.8
257.08102	7.4
275.09146	16.9
303.08624	7.6
312.15433	0.8
321.09665	47.8
322.10306	1.2
325.09259	0.7
339.10712	14.5
351.10693	0.8
355.15427	0.7
369.11655	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	818.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
60.73232	0.9
60.83294	0.9
61.02911	4.9
67.05499	14.0
69.03423	3.4
69.07069	4.3
71.42861	1.1
73.02920	1.8
79.05487	14.1
81.07049	12.3
83.05009	1.4
83.08610	7.7
85.02905	4.3
85.31172	0.8
91.03959	2.6
91.05479	13.2
93.07057	6.9
95.05006	2.1
95.08606	3.6
97.02912	2.7
97.06519	1.2
97.10159	20.4
103.05454	6.9
105.07017	11.4
107.08578	7.9
109.06585	1.0
109.10169	2.4
111.08071	1.0
115.05440	4.5
117.07008	22.8
117.07813	1.4
119.08547	5.4
121.06516	1.8
121.10129	2.8
125.09631	17.5
127.03901	2.1
128.06229	1.9
129.06987	7.2
131.04922	1.1
131.08557	13.9
133.06480	3.8
133.10159	3.2
135.08064	3.5
141.06976	4.0
143.08530	5.2
145.04970	0.9
145.06499	4.5
145.10097	5.6
147.11673	1.6
149.09598	1.9
153.09097	1.8
154.07822	1.1
155.08549	6.3
157.06557	2.8
157.10123	3.1
159.08051	2.0
159.11653	1.7
160.40172	0.8
163.05968	1.0
167.08597	2.4
169.10133	3.5
171.08073	2.2
171.10202	1.4
171.11679	3.0
172.38377	1.0
173.09659	1.4
173.13309	1.4
175.87686	1.0
179.08495	1.9
181.10149	2.1
183.11806	1.1
185.13284	0.9
187.11232	1.1
187.14795	5.6
189.11188	7.8
195.08037	1.0
195.11732	1.6
197.09712	1.1
197.13283	7.0
209.13260	1.3
213.12732	1.3
215.14297	23.3
217.12233	1.3
219.11711	1.1
223.11148	1.0
225.12718	1.1
227.12733	16.7
227.14729	1.2
227.55244	1.0
233.15388	1.3
237.12704	1.2
239.14304	1.0
241.12119	1.6
244.13457	0.9
251.14511	1.1
255.13782	1.2
271.16946	1.7
321.21912	1.0
339.23273	1.8
349.21695	4.2
367.22678	9.0
385.23837	5.5
403.24838	1.8
428.78082	0.9
441.26343	46.0
442.26678	3.2
459.27374	100.0
460.27679	6.3
477.28543	14.1
478.28998	1.1
818.48334	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	819.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34959	1.2
70.35273	1.9
82.56499	1.2
139.70213	1.1
218.72192	1.1
319.26718	1.1
369.09488	5.3
374.17569	1.0
429.11557	100.0
430.11722	3.1
624.25085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.0
69.07072	1.3
70.06578	1.1
81.03394	2.4
85.02908	1.2
91.05486	1.3
94.06556	3.3
95.01299	1.0
97.02867	2.5
108.08107	0.9
113.02324	0.8
122.06028	9.0
125.02313	2.6
134.05991	1.1
135.63911	0.8
136.07584	7.8
137.06006	1.7
138.09122	1.7
141.01852	0.9
146.06058	1.1
147.04471	0.9
148.07518	1.3
157.25842	0.8
164.07068	6.2
166.08611	6.7
181.04967	1.0
211.08478	0.8
221.10715	1.4
222.11394	1.6
223.08641	4.1
223.12218	1.5
225.10210	9.3
227.11664	1.1
234.11560	0.9
235.08670	2.8
235.12250	2.4
236.09288	1.9
236.13107	0.9
237.10278	6.0
237.13797	4.4
238.10980	5.0
239.11749	6.6
239.15349	1.1
241.09734	1.6
248.09239	1.2
248.10876	1.2
249.10201	9.1
250.10944	11.7
251.08156	6.7
251.11780	23.0
252.08850	1.2
252.12489	5.8
253.13289	2.2
255.11029	1.1
263.11755	17.5
264.09235	1.9
264.12549	15.1
265.09821	5.6
265.13321	37.5
266.10645	2.1
266.13913	3.2
267.11246	1.2
267.14957	3.2
269.13004	1.1
273.69739	1.0
276.10159	1.1
277.09631	5.1
277.13608	1.0
278.10406	4.2
279.11282	11.0
280.11896	2.0
281.12805	5.7
283.10852	7.6
284.11551	1.2
285.12302	1.2
291.11191	4.7
292.12094	2.4
293.12833	11.3
294.10809	1.4
294.13660	3.6
295.10739	3.7
295.14188	1.6
296.11569	6.0
297.12326	4.9
298.13388	1.1
299.13858	1.1
309.12308	27.7
310.12970	4.8
311.13873	41.7
312.14371	2.7
319.10779	3.0
319.14508	1.0
320.11356	2.2
321.12277	4.2
323.10297	2.1
324.11011	2.9
325.11810	2.5
337.11758	24.7
338.12521	21.7
339.13364	33.3
340.13773	1.9
353.15103	1.1
356.13669	1.5
357.14511	3.1
369.14429	41.6
370.15036	6.4
371.15979	72.2
372.16507	5.6
386.14554	1.3
414.18076	3.3
416.19363	4.8
432.19205	13.8
442.17560	3.6
459.17923	1.2
460.18649	30.7
461.18982	2.9
462.20035	1.7
480.21277	30.7
481.21472	2.5
491.20438	2.2
492.21252	45.6
493.21564	2.8
512.23633	1.1
524.13837	1.9
525.14905	2.9
555.16052	1.6
557.17517	3.4
571.23840	0.9
601.26672	19.1
615.84888	1.1
646.20264	100.0
647.20422	7.4
678.22748	23.2
679.22198	2.1
788.06195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
61.02928	1.4
69.03426	2.0
71.01341	0.6
71.04994	2.8
73.02914	7.0
75.04486	0.4
83.04978	2.8
84.04520	1.2
85.02399	0.5
85.02901	8.3
85.03416	0.4
86.06077	2.7
87.04477	0.5
97.02885	1.4
100.73537	0.2
102.05545	0.7
111.04435	1.1
115.03902	1.8
127.03927	0.4
129.05478	0.9
130.04996	10.0
133.04977	0.8
147.06517	0.8
150.62282	0.3
151.08653	1.0
160.06227	0.3
171.05495	0.4
172.03902	0.3
173.07094	6.8
173.08537	0.5
174.05498	16.2
184.06360	1.1
185.07108	0.4
186.07877	2.2
187.08659	6.6
187.10257	0.5
188.07065	2.5
188.08566	0.3
191.08139	6.6
199.08633	1.2
204.08914	1.5
205.09708	8.9
211.08707	0.9
212.09384	0.4
213.10248	0.6
215.08144	2.0
217.09691	1.2
225.07622	0.3
229.09705	0.3
231.07799	0.5
231.09998	4.8
232.08540	0.3
232.10776	6.1
233.09180	5.6
239.08226	0.5
240.08948	0.3
241.09581	0.4
249.08772	0.5
249.11086	4.3
250.11850	5.3
253.09727	0.9
256.10825	0.5
257.09253	1.0
270.12363	0.8
271.79407	0.3
275.10059	1.4
276.13492	0.5
283.10718	0.4
285.08673	6.1
289.11942	0.4
298.11880	1.2
299.10226	2.7
302.11295	2.6
303.09702	0.4
315.14450	1.0
316.12854	1.5
320.12369	9.0
321.12604	0.4
327.09726	9.3
328.10040	0.4
333.15668	1.5
334.13889	0.7
344.12366	8.3
345.10785	9.5
346.11066	0.3
361.15027	2.5
362.13428	17.9
363.13696	0.9
379.16095	100.0
380.16431	3.5
525.21912	1.3
541.21375	10.1
542.21368	0.4
687.26880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01299	1.5
67.05549	1.7
69.59705	6.4
69.60197	1.4
98.23391	2.9
121.74850	1.6
140.51715	1.6
147.04088	1.9
231.35312	2.0
389.90576	1.8
429.16727	100.0
430.16995	5.4
504.97922	2.1
520.71808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05393	0.2
61.02929	0.4
61.36768	0.2
62.88025	0.2
63.02380	0.5
63.18493	0.2
65.03918	0.3
67.05499	0.9
68.99807	0.2
69.03431	0.7
69.07063	0.5
69.34310	1.1
70.06599	0.2
71.04997	0.6
73.02911	0.2
78.04731	0.3
79.05463	0.5
81.03422	1.0
81.07045	3.7
85.02901	1.4
87.00826	0.8
89.03907	6.6
91.05489	0.5
93.07020	0.8
95.04964	0.6
95.08617	1.0
97.02889	2.4
97.10147	0.4
98.22656	0.4
99.04464	0.3
103.05434	0.4
105.01860	0.6
106.04150	0.4
107.08595	0.3
109.02857	2.2
109.10146	0.3
117.03367	17.9
119.04935	0.4
123.11686	3.0
124.05129	0.2
127.03904	2.6
129.01816	0.3
133.10159	0.3
134.03619	1.4
135.04414	1.5
137.05919	0.2
145.02834	47.2
146.03146	1.0
147.02805	0.3
147.04350	0.4
149.05968	5.9
151.03853	0.2
151.11154	0.9
162.03065	0.3
163.03889	1.5
167.03326	0.3
169.12202	1.5
169.13454	0.3
170.81032	0.2
176.43781	0.2
177.05449	100.0
178.05809	2.0
186.05396	0.5
187.13306	1.3
195.06525	0.6
213.03896	0.9
225.69023	0.2
231.04926	0.8
257.08105	0.2
261.07532	0.9
303.08664	0.3
310.58258	0.2
345.16812	1.0
351.06693	0.2
361.14813	0.4
399.16232	0.2
407.09442	0.6
417.17209	0.5
418.18054	0.3
425.10739	8.6
426.10883	0.5
519.18622	0.2
537.19690	2.6
582.84839	0.2
656.83179	0.2
843.08221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
61.02919	0.3
69.03423	1.7
70.69566	0.4
71.01335	0.6
71.04990	4.5
73.02905	1.0
75.04474	0.5
79.05474	0.7
81.03407	1.2
83.04980	3.6
85.02899	13.2
87.04442	0.4
89.03918	2.2
95.04958	0.6
97.02888	4.4
99.04449	0.9
103.03928	1.7
103.16362	0.2
107.04939	2.8
107.86509	0.2
109.02888	0.5
111.04427	3.6
113.02357	1.5
117.03378	3.4
123.04419	0.5
127.03896	0.8
127.54362	0.2
129.05476	2.7
131.03398	3.2
135.04401	9.6
137.58754	0.2
139.03949	0.3
145.02837	8.3
147.06532	2.6
153.05444	3.9
157.04948	0.5
161.05934	0.3
163.03891	100.0
164.04237	2.1
175.06067	0.3
177.05481	3.3
181.04953	2.3
183.06512	0.2
195.06424	0.3
213.07645	0.4
228.56313	0.2
241.07065	0.7
259.08081	1.6
263.09140	0.3
277.09164	0.7
291.08380	0.3
307.08173	0.7
309.09656	0.5
323.07318	0.3
325.09155	23.6
326.09445	0.8
339.10632	0.7
459.12833	1.0
477.13916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
61.02906	0.4
63.02370	0.2
69.03415	2.1
70.02805	0.6
71.01337	0.5
71.04980	4.4
73.02907	1.1
75.04467	0.5
79.05476	0.7
81.03409	0.9
83.04977	3.6
85.02896	13.8
86.03236	0.2
87.04429	0.3
89.03888	2.5
91.05486	0.4
91.15720	0.2
95.04399	0.2
95.04952	0.7
97.02885	3.5
97.06475	0.3
99.04450	0.8
101.02348	0.5
103.03944	1.6
107.04938	0.7
109.02836	0.4
111.04420	2.5
113.02354	2.0
117.03376	3.5
121.06487	0.9
123.04381	0.3
125.05962	0.9
126.29715	0.2
127.03915	0.8
129.05458	3.1
131.03387	2.3
135.04401	8.9
137.05948	0.4
139.03897	0.3
145.02829	10.1
145.10106	0.5
146.03133	0.3
147.06488	1.7
149.05975	0.8
151.03857	0.3
152.04675	1.2
153.05414	1.2
157.04950	1.0
163.03883	100.0
164.04214	2.5
165.04335	0.5
167.07021	6.6
173.09549	0.3
175.06017	0.3
175.09796	0.5
177.05437	3.1
178.05775	0.3
181.04951	2.9
183.06517	1.6
184.06859	0.5
185.08055	1.0
187.11192	0.4
191.08185	1.6
193.04926	0.5
195.06516	0.6
209.05876	0.7
213.07480	0.4
218.00325	0.2
225.07379	0.3
233.09155	1.8
241.07095	0.4
250.11812	2.9
256.05856	0.3
259.08099	1.5
277.09189	0.6
293.06644	0.3
307.08057	0.9
309.09631	0.5
325.09140	23.9
326.09451	0.8
339.10513	0.3
341.11636	0.3
425.10565	0.4
437.48123	0.2
491.15182	0.3
606.34784	0.2
674.21429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
63.02360	0.7
64.84772	0.3
65.03945	0.5
66.04736	0.3
67.05500	1.2
68.99787	0.4
69.03419	1.2
70.06574	0.9
70.54503	0.3
71.04972	0.3
73.02902	0.5
78.04716	0.5
79.05490	1.0
81.03410	6.1
81.07043	4.3
85.02904	2.2
87.00816	0.9
89.03906	8.2
91.05468	2.5
91.77784	0.3
93.07034	0.6
94.04176	1.3
95.04953	1.4
95.08611	0.9
96.60123	0.3
97.02888	2.8
97.10178	0.6
98.22704	0.8
99.04436	0.9
102.04650	0.3
103.05472	1.7
105.01865	0.6
105.03407	0.3
105.07033	1.7
106.04179	0.4
107.04940	0.4
107.08555	0.3
109.02868	2.7
109.06477	0.6
115.05435	1.0
117.03363	20.3
117.07027	0.6
117.63480	0.3
119.04909	3.0
121.06484	0.4
122.03621	3.3
123.04419	0.5
123.11716	2.4
125.02299	0.4
127.03907	2.8
128.06206	0.6
129.06992	1.9
131.04924	2.1
133.06509	1.7
133.95476	0.3
134.03590	1.8
135.04376	1.9
137.05959	89.9
138.06302	1.1
143.04878	0.7
145.02829	49.6
145.06445	0.9
146.03177	1.1
147.04373	2.2
149.05968	7.8
149.07170	0.4
151.03891	3.7
151.07486	1.5
155.06026	0.3
157.06416	2.0
159.02902	0.3
160.05182	1.2
161.05936	3.4
162.03062	0.4
162.06749	0.9
163.03903	0.9
163.07487	2.0
169.12233	1.5
173.05887	0.5
174.06770	0.6
175.07529	13.5
177.05444	100.0
178.05792	2.6
179.06989	1.2
185.05917	0.7
186.05515	0.6
187.05945	0.5
187.07518	3.8
187.13280	1.4
188.08324	0.4
189.09114	2.1
195.06508	0.4
199.07602	1.6
201.05487	0.3
205.06645	0.6
205.08585	11.5
206.08904	0.6
211.07498	0.4
213.03842	0.4
217.08588	4.2
228.17453	0.4
229.08504	0.6
231.04971	1.2
235.07344	0.5
235.09613	5.1
241.08505	0.6
257.07983	0.3
261.07327	0.4
265.08624	0.4
267.10220	0.6
285.11105	0.7
323.12604	0.8
335.12646	1.0
343.13593	0.4
345.16809	0.7
347.12759	0.4
357.13062	0.7
361.14658	0.8
365.13693	1.2
391.09305	0.4
416.86020	0.4
417.17490	0.5
425.10776	5.3
487.17508	1.5
489.18970	0.5
519.19934	1.9
537.19714	3.6
558.16931	0.3
624.27686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
61.02904	0.4
62.73385	0.3
63.02379	0.3
65.03934	0.6
66.04704	0.4
67.05494	1.1
68.99799	0.4
69.03432	2.3
71.04981	0.5
73.02909	0.7
77.03915	0.4
79.05485	1.1
81.03415	6.4
81.07053	2.9
83.04964	0.4
85.02902	4.3
87.00828	1.8
89.03915	4.9
91.05482	3.0
93.07014	0.8
94.04186	1.3
95.04971	0.8
95.08591	0.5
97.02889	3.1
99.04454	1.0
102.04673	0.3
103.05457	4.2
105.01849	1.2
105.07030	2.2
107.04903	0.7
107.08632	0.4
109.02878	4.0
109.06536	0.9
115.05475	1.5
117.03370	11.1
117.07008	1.0
119.04939	3.3
121.06523	0.6
122.03639	4.1
123.04451	0.3
123.11659	2.2
123.67925	0.3
125.02303	0.5
125.06039	0.4
127.03908	3.6
128.06226	0.5
129.07025	2.1
130.04185	0.5
131.04919	7.0
133.06482	1.4
134.03632	0.9
135.04387	1.2
137.05968	100.0
138.06297	1.6
143.04904	1.3
144.05704	0.6
145.02838	30.7
145.04803	0.8
145.06461	0.8
146.03395	0.5
147.04425	2.9
147.08055	0.4
149.05971	5.2
151.03889	3.9
151.07506	2.1
151.11211	0.4
157.06430	2.1
159.02931	0.7
159.08092	0.5
160.05193	1.7
161.05988	3.9
162.06767	1.0
163.03967	1.5
163.07533	9.8
165.05508	0.6
169.12239	1.1
171.08032	0.5
172.05191	0.3
173.05951	0.7
175.07535	17.4
177.05458	62.4
178.05798	2.3
179.07034	2.2
181.04968	0.4
181.06473	0.4
182.16032	0.3
184.05185	0.5
185.06076	0.6
186.05440	0.4
187.07530	5.1
187.13272	0.4
188.08331	0.4
189.09093	3.2
191.07039	0.8
199.07567	2.6
203.07040	0.7
205.08585	14.8
206.09029	0.5
210.14815	0.3
211.07507	1.0
213.03828	0.7
213.09093	0.4
217.08582	3.8
219.08000	0.5
228.17509	0.6
229.08548	1.5
231.04951	1.1
235.09619	7.3
237.09177	0.5
239.10748	0.4
241.08603	0.6
259.09653	0.8
263.06940	0.4
263.10791	0.4
265.08475	0.3
267.10135	1.2
281.08115	0.3
283.09723	0.4
287.09119	0.4
297.11142	0.5
299.12808	0.7
307.09564	0.3
309.11255	0.4
313.27261	0.3
321.11200	0.6
323.12790	0.9
335.12848	0.9
347.12677	1.0
353.13754	0.9
365.13837	1.7
395.14850	0.8
407.09778	0.4
417.17624	0.4
425.10794	5.3
434.85522	0.3
435.50226	0.4
448.15109	0.8
471.17920	0.4
487.17374	2.0
489.19016	0.8
501.18777	1.0
507.19983	0.6
519.20081	3.4
537.19537	2.5
770.17072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.5
69.03407	1.6
70.06577	1.7
70.71692	1.6
72.08146	26.0
81.03415	2.0
85.02900	2.8
91.05471	1.5
95.01334	1.9
95.08638	1.2
97.07654	14.2
114.10282	28.2
114.14157	1.2
114.50968	1.2
132.11327	7.6
134.06218	1.3
137.05991	2.6
153.05400	1.5
163.03893	3.7
165.04207	1.2
171.06551	2.5
181.04938	81.0
182.05264	1.6
200.74094	1.3
229.13156	1.1
291.11862	1.2
312.15500	100.0
313.15607	1.8
363.17960	2.7
425.18015	3.7
443.19119	2.6
490.01620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.7
61.02921	9.6
62.76178	1.1
65.03921	1.9
66.05370	1.1
66.35582	1.2
67.05495	18.2
68.23909	1.2
69.03429	6.5
69.07058	9.1
71.04977	2.3
73.02911	3.7
79.05487	17.5
81.03415	5.0
81.07054	21.7
83.04996	1.9
83.08607	6.9
85.02893	17.5
87.00804	3.2
91.03945	6.9
91.05472	22.5
93.07040	15.9
95.04968	3.9
95.08590	13.3
97.02883	8.7
97.06533	2.6
97.10162	3.5
99.04490	2.8
105.01875	1.9
105.04528	1.4
105.07025	18.4
107.04957	3.6
107.08581	11.4
109.02879	5.2
109.06532	3.9
109.10139	7.4
111.08105	3.4
115.05469	1.6
116.06276	1.2
117.06997	15.4
119.08553	11.3
121.06511	3.3
121.10155	6.8
123.08061	1.8
123.11710	2.0
125.09632	2.5
127.03902	11.1
128.06206	3.2
129.06984	17.1
131.08563	22.6
133.06494	2.8
133.10104	7.9
135.08083	2.4
135.11681	4.5
137.09621	1.1
141.06970	7.2
142.07791	2.8
143.08551	16.8
145.04980	3.9
145.06467	4.3
145.10115	11.3
147.08044	4.3
147.11707	4.8
149.09637	2.8
149.13251	3.5
155.08551	11.7
157.10085	7.7
159.08066	2.2
159.11713	6.4
161.09648	1.5
161.13255	1.5
163.06015	2.3
163.14818	1.2
166.07787	1.3
167.08583	5.3
168.09322	1.3
169.04929	1.5
169.10094	9.1
171.08047	1.7
171.11700	6.2
173.13268	3.3
175.11263	1.9
175.14851	1.7
179.08618	2.1
181.10159	3.8
183.11702	5.5
185.13229	3.8
187.14854	2.7
189.16370	1.5
193.10049	2.8
195.11700	5.3
195.13417	1.3
197.13289	3.8
199.11179	2.1
199.14812	2.1
207.11710	3.4
209.13246	4.5
211.14894	2.9
213.04037	1.8
213.12785	2.2
215.14413	1.8
216.58151	1.2
217.15884	1.7
221.13240	5.8
223.14769	3.6
225.12834	1.4
225.16489	1.3
233.13313	1.6
235.14943	3.2
237.16136	1.7
239.14349	2.8
241.15961	1.4
257.15277	2.6
259.16910	1.3
271.17111	1.6
271.24203	14.8
273.06055	5.0
323.23630	2.2
333.22064	5.5
339.07401	1.5
341.24762	3.9
351.23172	13.2
369.24240	13.2
387.25281	8.6
400.03757	1.6
425.26834	5.3
433.29242	1.8
443.27881	100.0
444.28305	6.4
461.28937	90.4
462.29245	6.2
485.28860	1.7
569.31165	1.5
587.32074	1.7
605.32477	2.3
623.33887	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	820.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	0.4
60.05635	0.3
68.05025	0.6
68.19897	0.2
69.07066	0.8
69.18754	0.5
69.19171	0.7
69.85616	0.2
70.06584	100.0
71.04995	0.4
71.06925	0.8
72.08149	4.1
80.16970	0.2
82.06577	0.3
84.08138	0.4
85.02890	0.4
85.07649	0.4
86.09698	13.2
87.10056	0.2
95.06117	0.5
97.07676	0.5
98.06035	0.9
98.09696	0.3
99.09199	0.2
104.57391	0.2
112.07565	0.4
112.08714	11.5
113.07106	1.3
114.09164	0.3
114.10311	0.6
115.08682	3.3
116.07110	0.4
124.08732	0.2
124.11214	1.5
125.07119	0.3
125.10757	0.5
126.05494	0.4
127.08662	1.0
128.10753	0.3
129.10213	1.8
130.09753	0.5
137.07100	0.2
138.06694	0.2
138.12825	0.4
138.72285	0.2
139.08694	0.8
140.07112	0.4
140.08189	0.9
141.10252	0.2
141.11299	0.2
143.11769	0.3
145.02861	0.2
152.08229	0.2
155.08124	1.3
155.11876	0.2
157.09698	8.3
157.10841	1.0
158.09157	0.2
163.03957	0.5
164.11844	0.3
165.13850	0.2
166.08676	0.3
166.13435	0.3
167.08148	4.1
167.09492	0.2
167.11824	0.5
167.15492	0.5
169.13338	0.4
171.11337	0.7
173.12852	3.5
177.05493	0.6
183.14909	12.3
184.15329	0.4
185.09178	9.8
192.11266	1.5
192.14981	0.7
193.13394	0.3
194.13075	0.3
194.16608	0.5
195.11324	1.3
195.14995	0.5
197.12904	0.4
197.16676	0.2
201.12279	1.4
202.11887	0.2
207.01550	0.2
209.14023	1.0
210.15912	0.8
211.14398	4.0
211.16275	0.3
212.13892	0.2
220.10979	0.2
224.10361	0.8
225.16107	0.4
228.17029	1.1
234.12442	0.2
237.13464	2.7
238.11867	0.2
238.15604	0.3
239.13937	0.2
240.17137	0.2
242.11406	0.9
242.18710	0.3
242.22815	0.2
252.17200	0.5
253.16557	2.3
254.14967	0.4
258.14468	1.4
264.13510	0.4
268.16663	0.4
270.17953	0.9
280.16501	1.7
282.14697	0.4
294.15137	0.2
296.17236	0.8
298.17673	1.1
306.15695	0.2
309.19388	0.7
322.22263	1.1
323.17108	0.3
324.16827	0.8
325.22382	0.4
327.20285	0.6
329.21716	0.3
333.19263	0.2
337.18692	1.0
350.21884	3.9
355.19739	3.3
367.24487	1.6
379.24640	0.3
401.22574	0.2
406.24438	0.2
407.23865	0.4
408.26080	0.2
409.25684	0.8
426.26910	1.2
436.25662	0.2
454.26224	0.4
466.27887	0.6
494.27426	0.3
523.32849	0.6
565.34412	1.2
636.41833	0.2
792.50720	0.6
803.47888	0.5
820.50262	58.1
821.50507	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	820.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	30.1
59.04998	1.8
61.31524	1.5
61.41867	1.6
64.34715	1.5
69.07054	3.6
69.24730	9.7
71.08626	27.1
73.06554	12.2
83.08652	1.9
85.10194	17.1
87.04469	16.9
89.06027	100.0
97.10159	5.1
98.69126	1.5
99.11738	3.8
107.07033	2.8
111.11719	3.4
113.13285	2.4
117.09111	10.7
130.08638	3.3
131.07048	2.9
133.08598	44.9
161.11716	2.9
169.19574	3.0
175.09717	3.1
175.83623	1.8
177.11221	17.1
184.07307	3.8
213.22131	3.1
221.13847	3.6
257.24744	6.0
301.27316	3.4
468.01288	1.8
473.94681	1.6
555.12128	1.7
594.35553	1.9
603.01770	1.8
757.36609	2.4
820.60846	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	821.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56922	1.0
63.11826	1.2
65.63297	1.1
67.05508	2.5
79.05488	1.6
81.03431	1.7
81.07059	3.2
83.04970	1.1
91.05459	2.2
93.07058	1.8
95.05013	2.1
95.45308	1.0
97.06517	1.2
103.72007	1.1
105.07031	1.6
109.10183	1.7
112.15458	1.0
114.10278	1.1
119.08582	1.1
121.10155	1.9
123.11765	1.1
125.09610	1.1
133.10156	1.1
135.11656	1.1
145.02609	3.0
187.07339	2.2
247.09421	2.4
303.65430	1.2
353.17145	1.6
371.18268	62.8
372.18631	1.8
413.19333	8.2
431.20395	100.0
432.20770	3.8
821.40540	47.6
822.40839	4.3
848.25128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.43
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05807	0.5
61.61724	0.3
61.72809	0.4
65.88943	0.3
67.20844	0.3
68.05016	0.7
70.02939	0.8
70.06588	100.0
71.06923	0.8
72.08150	8.4
72.08521	0.6
81.03444	0.4
82.95348	0.3
87.05595	2.1
96.08118	2.0
97.07652	3.7
98.06015	0.5
98.09698	0.8
99.73250	0.4
100.07578	0.5
101.07139	0.8
101.88498	0.3
110.02382	0.4
115.08714	1.7
116.07143	0.6
122.06062	0.5
123.39098	0.4
124.11227	0.8
125.07108	19.9
127.05058	0.7
127.08697	1.5
129.06654	0.4
130.06508	7.9
132.08081	2.2
139.08693	1.3
141.10225	1.8
144.08069	1.2
150.05568	0.4
151.08701	0.7
152.07008	0.3
155.08115	3.1
155.11809	0.5
157.09712	1.6
159.09163	18.1
159.59367	0.3
167.08189	2.3
169.07605	3.2
169.09749	1.7
169.13348	19.1
170.06003	2.2
171.09164	0.8
171.14963	1.1
179.11838	0.5
182.36420	0.4
183.11342	0.6
184.10930	0.6
185.10704	0.8
187.08705	1.5
193.09743	0.4
193.13405	0.9
195.07623	3.1
195.09058	0.4
195.15063	1.1
196.06190	0.6
197.07166	0.4
197.09106	0.5
197.12846	8.1
197.14592	0.5
198.08899	0.4
199.14439	0.5
206.09453	0.4
206.12958	2.1
208.10864	0.7
209.09308	0.4
211.12257	3.1
211.14131	0.5
212.10434	1.2
214.09822	1.2
221.12965	1.0
223.12413	0.5
223.14557	0.6
224.10406	0.9
226.11784	1.7
238.13792	0.4
239.08128	0.6
248.14034	0.5
249.12346	3.3
250.15405	0.4
251.11531	0.6
252.13527	1.4
254.15050	1.3
256.10669	0.6
256.14413	13.4
257.14850	0.5
266.15070	0.5
268.20145	0.4
269.12512	1.1
277.11768	2.2
281.12610	0.4
282.15680	0.5
283.11893	0.7
284.10443	3.9
284.14041	10.3
293.16339	0.4
294.14392	1.8
296.19727	2.3
297.19278	0.5
301.13049	1.4
301.16684	1.4
311.17117	1.9
312.09750	0.5
325.18799	2.3
325.22238	0.6
348.19290	0.5
353.16031	0.8
353.21960	1.4
370.18549	1.6
381.15738	0.6
396.25888	2.8
398.18234	15.9
399.12613	0.3
399.18701	1.0
410.23996	0.9
412.20099	0.9
424.19702	0.7
424.25424	7.9
424.30826	0.5
425.26178	0.4
443.04315	0.3
469.21869	1.8
481.22247	1.3
493.27451	0.8
495.23621	1.3
508.22406	0.5
509.20923	1.8
511.26495	1.2
512.26025	0.5
521.27600	0.7
526.24030	3.5
538.29883	1.5
566.30957	0.6
577.27637	0.8
580.28937	1.3
594.30487	1.5
608.28113	2.1
617.16986	0.4
625.30560	2.0
676.34894	0.5
677.34845	0.5
679.35571	0.8
680.24786	0.4
693.36957	2.2
705.33502	1.2
707.38678	1.1
722.36554	1.5
733.38123	0.5
735.35724	0.5
750.38983	0.4
776.40918	2.8
793.43219	3.3
803.42584	0.7
804.40234	9.5
805.40503	0.8
821.43036	11.9
822.43835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
61.02917	0.8
63.02390	0.2
67.31575	0.2
67.36689	0.3
69.03426	2.0
70.05625	0.5
70.06585	1.1
71.01337	0.4
71.04987	2.7
71.21976	0.2
73.02913	4.7
74.18889	0.2
79.05510	0.3
80.34223	0.2
81.03398	0.7
83.04980	2.0
85.02906	5.2
87.04482	0.3
87.77350	0.2
89.03910	1.1
91.05459	0.7
95.04991	0.3
97.02898	3.3
99.04457	0.3
107.04967	0.5
109.06499	0.4
111.04436	1.0
115.03962	1.4
117.03369	1.2
119.04951	0.3
121.06444	0.3
127.03928	0.7
127.96957	0.2
129.05473	1.1
131.17332	0.2
133.04990	0.7
133.06514	0.5
133.20691	0.2
135.04401	3.2
137.05965	0.5
140.06462	0.3
145.02847	2.8
147.06494	0.3
160.07585	0.8
163.03896	27.1
164.04243	0.6
169.13370	0.3
175.06342	2.0
181.04933	0.7
186.05518	0.5
187.06274	1.7
188.07043	1.6
189.07813	1.9
190.05048	1.4
190.08627	0.5
202.08612	4.0
204.06540	0.6
220.09674	100.0
221.10049	2.9
236.62889	0.2
325.05386	0.3
325.09177	6.7
326.09760	0.3
382.14841	0.4
544.18048	3.5
705.06970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.5
61.02924	6.7
64.33839	0.5
67.05502	25.6
69.03432	1.2
69.07067	7.6
71.04980	1.9
71.42605	0.6
73.02915	2.3
79.05491	16.2
79.05946	1.0
81.03415	2.1
81.07056	34.2
83.04978	2.4
83.08601	6.5
85.02912	5.9
85.06555	1.6
91.03954	5.2
91.05475	10.4
91.05993	1.0
93.06443	1.2
93.07040	21.7
95.04961	3.4
95.08603	9.7
97.02897	3.6
97.03406	0.6
97.06532	3.7
97.10157	1.7
99.04476	0.6
99.08109	1.1
105.04551	1.0
105.07023	5.9
107.04931	1.0
107.08588	14.8
109.06532	1.4
109.10168	2.2
111.08073	2.4
117.07022	5.0
117.09748	0.5
119.08569	4.0
121.06488	0.9
121.10148	7.2
123.08112	0.6
123.11706	2.1
127.03924	1.8
129.07013	2.3
131.08571	6.7
133.10126	8.7
135.08075	0.8
135.11687	4.6
137.09645	0.6
139.11115	0.6
143.08505	1.0
145.05005	1.6
145.10135	2.2
147.11681	1.0
149.13249	10.3
151.11215	1.0
155.08562	0.8
157.10144	1.1
159.11681	5.6
163.06003	2.0
169.10118	0.8
171.11691	0.8
173.04430	0.6
173.13293	0.6
177.12747	2.4
191.92625	0.7
194.71750	0.6
195.13782	5.8
213.14561	0.7
251.16530	1.6
254.90118	0.6
256.06110	0.6
267.15933	0.6
269.17465	18.1
305.38986	0.6
335.23737	0.7
353.24750	1.9
371.25851	1.6
389.26886	1.3
427.28275	1.1
445.29449	13.0
446.29932	0.6
463.30521	100.0
464.30862	6.1
481.31625	1.6
607.34723	6.3
608.34552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.4
57.07061	0.7
59.97978	0.5
61.02923	7.9
65.03949	0.6
67.05500	25.9
69.03416	2.1
69.07068	8.3
71.04981	2.3
71.08660	0.5
73.02906	1.3
75.51441	0.5
79.05044	0.9
79.05489	15.7
81.03412	2.3
81.07050	37.3
82.07391	0.6
83.04991	2.7
83.08618	8.1
85.02911	6.7
85.06544	1.8
91.03958	5.0
91.05472	10.9
93.07043	23.4
95.04957	3.7
95.08609	9.0
97.02888	3.4
97.06531	4.1
97.10152	1.3
98.22663	1.7
99.04456	0.9
99.08100	0.9
105.04528	0.8
105.07038	5.3
107.04956	1.4
107.08585	14.1
109.02868	0.9
109.06532	1.9
109.10152	3.1
111.08083	2.6
113.09619	0.5
115.05487	0.8
117.07006	5.8
119.08556	3.3
121.06525	1.5
121.10140	7.9
123.08053	0.8
123.11687	2.3
127.03921	1.9
127.07582	0.8
129.06995	1.6
131.08560	7.0
133.10135	7.0
135.08054	1.3
135.11713	5.6
139.11160	0.6
141.06921	0.7
143.08539	1.8
145.04947	2.0
145.10133	1.7
147.11684	1.4
149.13248	11.6
151.11171	1.0
155.08528	0.6
157.10097	1.0
159.11685	5.6
163.05983	2.0
169.10127	0.6
171.11681	1.1
173.13283	0.7
177.12727	2.6
195.11984	0.9
195.13742	5.3
203.05231	1.0
204.63046	0.6
213.14821	0.9
219.08549	0.6
251.16290	1.1
269.17447	24.8
335.23953	0.7
343.26529	0.6
345.02655	0.9
353.24808	1.9
371.26071	0.6
389.26617	1.1
413.21976	0.6
431.20688	1.1
432.20667	0.8
445.29459	14.5
446.29572	0.9
463.30496	100.0
464.30835	4.9
589.33893	0.9
604.26141	0.6
607.34857	5.5
633.49023	0.6
708.89807	0.6
821.46661	1.0
822.33136	0.8
822.47003	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	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.9
61.02925	6.3
65.03945	1.1
67.05499	28.7
69.03425	1.6
69.07063	8.1
70.18170	1.0
70.18509	0.7
71.01357	0.5
71.04988	2.1
73.02910	1.8
79.05484	17.7
81.03425	3.5
81.07051	36.4
82.07384	0.8
83.04983	3.3
83.08607	8.4
85.02899	7.7
85.06550	1.7
91.03960	4.1
91.05473	11.9
93.07039	26.3
95.04950	3.4
95.08601	9.4
97.02879	3.3
97.06522	4.4
97.10170	0.7
99.04487	0.7
99.08099	1.4
104.72385	0.4
105.04517	1.1
105.07016	7.2
107.04945	0.8
107.08588	16.8
109.02921	0.5
109.06496	1.1
109.10163	2.6
111.08080	3.2
113.09639	0.6
117.07001	5.9
119.08585	3.7
121.06503	1.4
121.10138	7.7
123.11720	2.9
125.09637	1.0
127.03938	1.5
128.06253	0.6
129.07022	1.5
131.08548	8.0
133.06458	0.6
133.10124	8.9
133.45288	0.5
135.08063	1.4
135.11681	4.2
141.06955	0.9
143.08560	1.7
145.04924	2.0
145.10118	1.8
147.11705	1.4
149.09679	1.2
149.13245	12.9
151.11192	0.8
155.08577	1.6
157.10107	1.9
159.11694	6.6
161.13159	0.5
163.06001	1.4
167.08496	0.5
169.10107	0.7
171.11687	1.0
173.04402	0.9
173.13278	1.0
177.12761	2.8
181.10046	0.7
183.11755	0.5
187.11220	0.4
189.12857	0.5
195.13783	7.4
197.13281	0.6
213.14763	0.7
229.82787	0.5
233.15248	0.5
251.16545	1.8
269.17444	24.6
273.18570	0.6
343.26367	0.8
353.24673	2.6
371.25778	1.6
377.20145	0.5
389.26929	1.1
413.21408	0.7
427.28314	0.6
445.29459	17.2
446.29959	1.7
463.30502	100.0
464.30869	6.0
481.31494	2.5
510.84561	0.5
589.33337	0.6
607.26080	0.7
607.34888	8.9
608.35046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
57.07070	1.4
61.02926	3.9
61.13408	0.5
65.03944	0.9
67.05504	30.7
69.03421	0.9
69.06713	0.7
69.07070	10.7
71.04988	3.1
73.02907	1.6
79.05489	17.2
79.05952	0.9
81.03416	1.7
81.04475	0.4
81.07053	38.5
82.73094	0.5
83.04988	3.8
83.08612	7.9
85.02903	4.2
85.06547	2.1
91.03950	2.9
91.05475	8.0
93.07042	29.9
94.07454	0.4
95.04967	2.7
95.08606	10.0
97.02872	2.5
97.06531	5.6
97.10151	0.7
97.42876	0.4
99.08109	1.3
105.04538	1.0
105.07027	3.8
107.08601	16.5
107.68832	0.5
109.06519	1.4
109.10147	1.6
109.89927	0.5
111.08083	3.4
117.07011	3.4
119.08556	1.4
121.06564	0.8
121.10133	10.0
123.11716	1.1
127.03924	0.5
131.08554	4.3
133.10130	5.8
135.08061	1.4
135.11700	3.2
140.35167	0.6
145.04944	1.1
147.11681	0.5
149.13254	18.3
151.11241	0.8
159.11691	8.6
163.06032	1.3
177.12715	3.4
195.13799	5.3
213.14868	1.1
251.16345	0.6
269.17471	47.8
270.17957	1.2
270.45184	0.5
445.29849	0.9
463.30515	100.0
464.30823	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	822.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
57.07070	1.4
61.02926	3.9
61.13408	0.5
65.03944	0.9
67.05504	30.7
69.03421	0.9
69.06713	0.7
69.07070	10.7
71.04988	3.1
73.02907	1.6
79.05489	17.2
79.05952	0.9
81.03416	1.7
81.04475	0.4
81.07053	38.5
82.73094	0.5
83.04988	3.8
83.08612	7.9
85.02903	4.2
85.06547	2.1
91.03950	2.9
91.05475	8.0
93.07042	29.9
94.07454	0.4
95.04967	2.7
95.08606	10.0
97.02872	2.5
97.06531	5.6
97.10151	0.7
97.42876	0.4
99.08109	1.3
105.04538	1.0
105.07027	3.8
107.08601	16.5
107.68832	0.5
109.06519	1.4
109.10147	1.6
109.89927	0.5
111.08083	3.4
117.07011	3.4
119.08556	1.4
121.06564	0.8
121.10133	10.0
123.11716	1.1
127.03924	0.5
131.08554	4.3
133.10130	5.8
135.08061	1.4
135.11700	3.2
140.35167	0.6
145.04944	1.1
147.11681	0.5
149.13254	18.3
151.11241	0.8
159.11691	8.6
163.06032	1.3
177.12715	3.4
195.13799	5.3
213.14868	1.1
251.16345	0.6
269.17471	47.8
270.17957	1.2
270.45184	0.5
445.29849	0.9
463.30515	100.0
464.30823	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	13.3
67.05174	4.1
67.05505	71.8
69.07049	17.5
69.47048	16.6
79.05484	50.8
81.07053	57.6
83.08610	9.0
84.46923	4.3
85.10148	4.2
91.05475	78.4
93.07043	53.4
95.04979	10.2
95.08595	41.4
97.06499	4.3
97.10155	8.1
105.04511	4.8
105.07021	40.9
107.04990	3.9
107.08584	22.3
109.06513	10.7
109.10161	12.0
111.03421	3.6
115.05431	6.7
117.07001	34.7
119.08568	26.8
121.10141	15.1
123.11727	5.3
125.09578	7.9
128.06197	17.9
129.06972	15.6
130.07796	6.5
131.08546	55.9
133.10104	17.3
135.11697	8.3
141.06989	7.4
142.07747	4.8
143.08566	46.5
145.10117	54.4
147.08012	7.6
147.11707	7.5
149.05806	4.2
155.08510	5.4
156.41241	4.0
157.10089	13.8
159.08070	4.7
159.11644	9.9
161.09563	5.0
169.10118	7.4
171.11676	13.4
181.10027	8.6
183.11749	10.4
185.13336	4.1
195.11681	12.4
210.90334	5.3
217.15919	5.1
237.16385	13.4
255.17467	17.4
261.22238	4.1
273.18433	52.4
276.33408	4.7
291.19586	5.2
335.25751	100.0
336.26331	5.1
347.22034	38.8
387.13531	4.4
398.11166	4.7
607.43481	88.5
624.57477	4.3
625.44366	12.3
732.84937	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.2
57.07056	10.2
62.93876	8.7
67.05508	63.0
69.07063	24.0
69.19507	38.3
69.96725	8.5
79.05498	93.1
81.07051	76.6
83.04958	10.5
86.97009	9.1
91.05476	95.7
93.07040	56.9
95.04977	17.2
95.08607	59.6
105.07013	74.3
107.08588	36.9
109.06602	8.1
109.10130	21.0
115.05476	11.8
117.07032	63.3
119.08566	41.3
121.10126	31.7
121.54317	8.2
123.69482	7.7
128.06213	30.9
129.07001	20.9
131.08575	96.5
133.06451	12.7
133.10149	28.7
137.09616	8.5
143.08556	100.0
145.10089	89.0
147.08104	10.5
147.11722	13.7
157.10143	28.0
159.11713	17.8
161.09566	8.7
169.10097	18.5
171.11687	21.7
175.11227	10.4
180.61249	8.1
181.10066	10.7
183.11658	10.2
195.11696	28.0
237.16267	17.0
239.85995	8.7
253.55383	8.8
255.17474	21.5
273.18423	98.5
284.66190	9.0
329.20981	13.6
335.25845	90.8
343.78461	9.7
347.22095	44.8
350.38437	9.4
525.70068	9.7
591.32526	10.8
606.39209	9.5
607.43604	98.9
625.44391	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48485	1.1
69.48889	2.3
74.97610	0.7
77.75631	0.7
81.07030	0.6
84.96029	13.2
85.02887	1.3
98.22729	0.9
98.97572	24.8
102.97074	1.7
110.97558	14.4
112.99109	0.9
116.98609	12.3
124.99011	0.6
128.98592	16.0
131.00174	1.9
134.99637	4.1
137.02725	0.8
137.05891	1.0
140.98567	1.6
141.06517	0.6
143.00169	5.6
143.03288	0.7
143.52641	0.6
144.98076	2.3
146.99622	8.3
147.04407	0.9
149.01253	1.0
150.99152	1.1
152.98605	1.0
155.03784	0.9
156.98085	3.1
158.99655	4.3
161.01208	6.4
162.99118	1.2
165.00772	0.7
165.02139	0.9
165.05478	1.5
169.01575	0.9
170.99658	4.5
173.01251	0.9
174.99152	5.7
175.00681	1.6
177.00714	4.5
177.02124	0.8
179.02278	2.0
182.99698	0.8
183.03322	1.6
183.06462	0.8
183.72482	0.6
185.01244	1.0
187.16470	0.7
189.00696	3.4
193.00218	1.1
193.01724	12.7
194.99918	0.9
195.01677	0.8
195.03273	2.5
197.01201	0.8
201.00636	4.1
209.01201	1.5
211.02771	26.6
213.00697	1.9
213.04338	1.8
219.01744	33.9
221.01186	8.6
223.02710	1.4
223.99928	1.3
227.02269	1.8
229.03809	4.2
237.02788	51.2
238.03139	0.9
239.02242	29.0
241.03761	1.3
247.01193	1.2
252.99974	0.7
253.03960	0.8
255.03841	4.2
257.03278	12.2
261.02689	1.0
263.02127	3.1
265.02374	2.2
267.01752	0.7
273.02853	2.9
275.04468	1.0
279.03949	1.0
281.03326	6.9
294.23846	0.6
299.04449	2.5
301.02200	7.7
303.03833	2.0
319.03409	4.6
323.04266	1.2
337.05975	4.4
341.05280	3.3
355.07538	0.9
357.05185	1.3
365.05405	3.7
383.06409	2.5
401.07492	18.2
402.07712	0.9
419.08557	35.4
420.09390	1.0
447.08054	0.9
461.09631	100.0
462.10147	3.5
470.50995	0.7
497.71063	0.7
501.09042	1.2
565.12134	5.0
583.13324	1.0
763.18915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.262
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05005	1.4
71.43861	0.7
73.02927	2.5
75.19843	0.7
83.04971	0.8
85.02914	2.0
97.02894	1.2
99.62474	0.6
107.04945	1.0
117.03365	0.7
128.30893	0.6
128.44006	0.6
135.04427	1.5
145.02878	2.7
146.03230	0.9
146.99547	0.6
151.44751	0.7
155.16917	0.7
163.03871	5.4
177.05438	3.6
178.05898	2.1
179.06032	1.5
223.10841	1.4
229.19003	0.7
255.76764	0.7
301.08905	5.1
315.26031	0.8
319.09961	1.0
337.06293	0.7
351.10559	2.6
465.19565	0.6
495.82242	0.8
545.16223	14.5
559.32135	0.7
646.41675	0.7
691.21606	3.8
703.12091	0.8
823.26190	100.0
824.26556	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	823.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	0.3
61.02921	1.6
63.02356	0.2
65.03922	0.1
67.05472	0.2
69.03423	3.9
71.01350	1.1
71.04984	4.0
73.02908	11.1
75.04470	0.4
77.03938	0.1
78.07819	0.1
79.05496	0.5
79.05871	0.1
81.03405	0.9
81.07063	0.1
83.01305	0.1
83.04974	3.5
85.02894	9.8
87.04449	0.5
89.03903	1.4
90.40443	0.1
91.05447	0.2
94.06553	0.4
95.04961	0.6
97.02884	5.6
97.18852	0.1
99.04442	0.6
101.02367	0.2
101.05986	0.1
103.03953	0.2
103.62985	0.1
106.06538	2.0
107.04935	0.6
109.02859	0.3
111.04428	1.8
113.05999	0.2
114.71677	0.1
115.03114	0.1
115.03919	2.5
117.02564	0.1
117.03362	2.0
118.06473	0.1
122.06034	0.6
123.04371	0.1
125.05927	0.1
127.03902	0.8
129.04555	0.1
129.05457	2.1
130.06508	0.2
132.04395	0.5
133.04956	1.3
133.07602	0.9
134.06012	1.1
135.04396	4.2
139.03859	0.4
143.03432	0.1
145.02831	3.9
146.05989	0.8
147.05475	0.2
147.06508	1.1
148.07556	0.2
151.03804	0.1
153.05440	0.1
157.04942	0.2
158.06003	0.4
158.09602	0.2
160.06303	0.1
160.07541	0.1
161.06039	0.1
161.07083	3.4
163.03880	32.1
164.04187	0.7
165.05421	0.1
170.06029	0.1
171.06557	0.2
172.07570	0.1
173.07074	0.1
174.07811	0.2
175.08623	1.8
175.12222	0.2
176.07074	0.7
176.09386	0.2
179.08131	2.9
181.04945	1.1
183.06497	0.1
184.07593	0.2
185.07053	0.1
186.05405	0.1
186.09152	0.2
187.05826	0.1
187.08575	0.6
188.09407	1.1
189.10155	0.3
190.10977	2.2
191.11769	0.2
200.07077	0.1
201.10202	0.4
202.10973	1.3
203.11766	23.1
204.12143	0.5
206.10478	2.9
213.10159	0.5
215.11769	1.0
219.11243	0.1
220.12131	0.2
221.12817	100.0
222.13170	2.8
225.07539	0.5
227.11746	0.4
229.09900	0.1
230.10388	0.1
231.10979	0.1
233.12657	0.2
239.11896	0.2
241.13181	0.1
243.08649	0.3
243.11166	0.1
245.12825	2.2
248.11514	0.2
251.11894	0.2
253.13315	0.1
255.11224	0.1
257.12875	0.2
261.09656	0.2
263.13864	5.5
264.14224	0.1
265.07147	0.2
267.11224	0.1
269.12872	0.3
281.12869	0.3
283.14438	0.1
287.13837	0.9
293.14978	0.3
295.08209	0.1
295.14502	0.2
299.13895	0.5
307.08032	0.4
311.13910	0.4
313.15390	0.5
317.14963	0.2
325.09137	7.3
326.09528	0.3
329.14902	1.4
331.16507	1.5
347.15970	2.3
348.16376	0.1
349.17505	0.8
353.17026	1.1
365.17053	0.2
367.18613	5.0
368.18970	0.2
383.18066	0.8
395.18118	0.9
409.19571	0.1
481.21719	0.3
493.21902	0.1
499.22778	2.5
500.23148	0.1
527.19806	0.1
545.21228	13.2
546.21631	0.7
587.22223	0.4
673.25586	0.1
677.26123	0.1
691.27130	1.2
823.29016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46503	0.6
67.05489	1.4
69.03396	1.0
69.07030	0.9
70.06577	1.2
71.43052	0.6
79.05470	0.8
79.32633	0.5
81.03397	1.1
81.07022	1.6
85.02879	2.1
88.70483	0.6
94.06528	2.6
95.04958	0.9
97.02879	0.9
97.06480	1.1
110.05981	0.8
112.03941	1.5
112.07561	0.7
116.04975	0.9
122.06023	10.9
124.07549	2.7
127.03915	0.9
129.07050	0.6
132.63782	0.7
136.07547	2.7
140.07057	13.5
141.07809	0.9
144.04405	1.3
146.05060	0.7
146.06007	7.7
148.07610	0.9
150.05502	1.4
154.55983	0.7
155.07228	0.9
161.07060	0.7
162.05481	1.4
163.03857	2.3
163.05130	0.6
170.09586	2.3
172.03923	16.5
172.09938	1.1
172.11235	1.2
173.04341	0.8
174.05508	4.5
178.08484	0.8
183.06630	0.7
184.07553	0.8
187.12325	3.3
190.04947	4.1
192.06520	0.9
198.09125	19.6
200.09282	1.7
200.10835	1.2
202.08606	0.7
204.06549	21.3
205.07104	0.9
206.08089	10.3
212.10818	4.2
215.11772	16.9
216.12112	0.8
222.07610	0.7
225.10104	0.8
226.08588	5.5
227.11769	1.5
229.09628	0.7
229.13380	1.2
231.11259	0.9
239.11696	0.9
240.10214	1.5
241.09647	1.5
241.13345	1.9
242.10432	1.0
243.11267	92.6
244.11537	3.0
255.11293	10.2
256.12033	0.7
257.12833	5.8
267.11273	1.2
283.10699	1.8
284.11246	0.8
285.12314	90.2
286.12616	3.1
313.11819	1.9
315.13309	5.7
317.14929	100.0
318.15320	3.3
331.12845	2.4
345.14453	12.6
347.16095	2.2
363.15323	1.7
366.11868	0.8
475.16974	4.9
488.18195	2.0
493.18350	0.9
520.20599	1.6
585.26477	1.1
601.25610	0.7
629.25995	12.6
630.26489	1.4
661.28607	2.1
791.30878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.4
64.96535	0.6
67.05501	2.2
69.03449	1.0
69.07083	0.8
71.42567	0.6
73.02903	0.8
79.05485	1.8
81.03420	1.0
81.07051	4.1
83.08601	0.9
85.02898	1.5
91.03936	0.9
91.05501	2.2
93.07042	2.9
95.08659	0.9
97.06481	0.7
97.68211	0.7
105.07062	1.1
107.08574	0.8
119.08636	1.0
121.10152	0.7
131.08568	1.0
133.10161	1.0
159.11732	1.0
161.43449	0.7
185.04272	1.0
203.05324	1.2
211.92215	0.7
243.08376	1.0
269.17554	1.1
347.09348	4.9
365.10379	1.8
405.13617	4.8
443.24167	5.1
463.30554	4.4
464.30936	4.8
499.26697	5.3
617.33246	1.1
633.32782	2.5
661.31952	11.6
662.31909	1.0
669.90143	0.8
823.37054	100.0
824.37292	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	823.402
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50991	0.4
63.36852	0.5
63.67366	0.4
70.64637	0.7
72.30409	0.4
90.64461	0.4
98.23339	0.6
218.36906	0.5
219.00879	0.5
241.65817	0.5
431.18292	100.0
432.18585	5.7
477.19946	0.7
756.72125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42742	1.3
76.32000	1.0
89.62122	1.0
98.22661	3.2
193.57344	1.0
278.01846	1.1
360.52991	1.1
514.28162	1.3
682.35986	1.7
722.82941	1.5
795.45105	5.9
823.44708	100.0
824.44604	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59630	20.0
67.05500	72.0
67.13023	18.5
68.82864	18.0
69.07069	34.5
79.05494	74.4
81.07050	55.0
83.08629	19.2
91.05456	92.9
92.54868	19.0
93.07046	82.5
95.08613	69.0
97.10118	26.1
98.23471	58.0
98.99093	17.5
105.07008	100.0
107.08553	37.5
109.10149	37.3
117.06969	35.1
119.08589	73.4
121.10164	24.6
131.08566	40.9
133.10121	52.3
145.10109	49.6
147.11702	36.4
151.16214	19.1
157.10138	24.9
159.11748	42.8
169.10120	28.2
183.11659	33.7
229.14510	20.1
266.00836	18.6
274.23251	18.6
609.44971	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.7
65.03922	3.6
67.05499	74.1
67.05868	3.7
69.03412	6.7
69.07059	21.3
71.04962	3.7
79.05482	64.0
81.03416	6.2
81.07053	62.2
83.04965	8.1
83.08617	10.0
85.02888	2.5
85.06532	4.3
91.05476	48.2
93.06448	2.9
93.07034	54.9
95.04951	12.7
95.08601	38.2
97.02866	3.7
97.06526	9.2
97.10166	4.3
98.22723	5.8
99.04444	3.1
99.08107	2.3
101.80790	1.8
105.04536	4.2
105.07016	31.1
107.04935	4.3
107.08574	29.8
109.06518	4.4
109.10133	18.1
111.08071	3.9
113.98872	1.7
114.65028	1.6
115.05441	2.5
117.07008	11.7
119.08568	24.4
121.06496	2.8
121.10115	20.8
123.08116	2.0
123.11695	5.3
125.09644	2.7
129.06982	5.0
131.08540	17.9
133.10123	17.2
135.08084	2.6
135.11682	10.4
137.09669	2.5
139.11156	2.0
143.08557	3.7
145.10121	13.7
147.11642	7.4
149.09593	4.9
149.13222	9.4
155.08580	2.0
157.10110	4.7
159.11690	9.6
161.07582	1.6
161.13240	4.7
163.11174	4.4
163.14810	2.5
165.12813	2.1
171.11667	3.8
173.04434	2.3
173.11752	3.8
173.13254	6.8
177.12772	3.1
183.11769	1.9
185.13251	3.6
215.14360	1.7
217.15955	2.1
227.12643	2.3
229.14282	8.7
239.17885	2.7
243.21164	2.9
255.15807	2.9
257.19009	5.8
259.20627	2.7
261.22073	10.5
269.17514	11.8
275.20062	24.9
309.20541	4.9
317.24911	2.5
331.22614	2.4
334.22922	2.4
335.25763	100.0
336.26077	4.9
349.23645	18.9
367.24570	2.6
437.33945	1.8
489.35742	6.2
515.37067	10.4
529.38928	45.4
530.39301	2.0
569.41693	13.9
570.42670	2.0
609.45142	23.9
627.45599	6.6
733.43774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	5.0
65.99474	2.6
67.05502	100.0
69.03428	7.2
69.07066	40.8
70.57054	3.0
71.04981	6.2
77.03876	2.8
79.05490	86.0
81.03416	9.1
81.07057	93.5
83.04984	5.4
83.08627	19.8
85.02908	7.5
85.06525	4.9
91.05477	57.4
93.07042	83.5
95.04955	12.3
95.08012	6.5
95.08597	63.2
97.02897	4.5
97.06510	14.5
97.10169	13.8
99.08091	4.6
105.04503	8.2
105.07025	52.5
107.04941	7.4
107.08591	54.2
108.60078	3.2
109.06517	7.0
109.10145	37.8
111.08140	4.8
117.06988	23.2
119.08578	38.1
121.06466	3.2
121.10120	26.2
123.08117	4.3
123.11715	10.0
125.09643	12.9
129.07005	7.5
131.08577	27.5
133.10121	28.4
135.11671	21.2
137.09605	4.4
143.08568	7.5
145.10138	24.3
147.11682	18.7
149.09592	9.0
149.13251	12.6
157.10158	7.7
159.11690	14.0
161.13248	11.3
162.03952	3.5
163.11159	7.3
165.12648	4.0
171.11705	5.7
173.11777	4.6
173.13254	8.0
183.11676	3.3
189.11203	5.5
197.13287	4.7
227.12700	15.2
229.14326	7.5
239.17920	4.9
257.18967	12.2
259.20517	3.5
261.22055	12.9
267.15833	5.0
269.17554	4.6
275.20068	44.4
331.22751	5.5
335.25793	95.3
336.26117	4.9
349.23654	34.5
393.90430	4.1
489.35596	8.3
515.36511	4.0
529.38684	8.6
569.42059	5.9
599.95880	3.3
609.44952	44.6
610.45465	4.5
627.45947	5.5
683.19434	3.6
742.51111	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28896	4.1
67.05497	53.9
69.03417	6.5
69.07072	21.2
71.10259	3.1
79.05489	42.0
81.03424	6.6
81.07056	58.7
81.07497	4.2
81.14389	3.3
83.05009	6.9
83.08624	8.5
91.05482	36.2
93.07031	51.3
93.07497	4.6
95.04991	10.8
95.08611	36.4
97.06566	11.8
97.10170	4.3
101.91025	3.4
105.07043	25.4
107.08594	28.7
109.06509	5.0
109.10185	13.1
111.08110	4.6
117.07021	9.8
119.08553	18.6
121.10166	14.5
123.11714	5.6
125.09669	4.2
129.07028	4.3
131.08528	17.3
133.10133	17.0
135.11658	17.3
145.10141	10.2
147.11694	9.5
149.13301	12.4
159.11687	16.7
161.13348	3.9
163.11174	6.5
163.14804	4.8
173.13278	6.1
187.14941	4.4
195.13777	8.1
222.91003	3.4
227.12657	3.6
229.14476	7.1
241.15903	3.5
255.15962	11.7
257.19119	4.3
261.22266	7.9
269.17435	37.9
275.20096	23.9
293.42670	3.3
300.29282	3.7
335.25793	100.0
336.26111	5.4
337.26559	4.8
349.23792	17.4
358.33395	4.2
515.37366	11.4
529.38849	73.5
530.39166	6.9
609.45123	17.3
627.45898	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	825.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97900	1.0
65.90076	1.0
67.05498	4.6
70.06551	1.8
70.95645	1.6
79.05473	1.1
94.06557	3.1
108.08117	1.7
120.04415	1.4
120.08095	1.5
122.06026	7.7
134.06001	1.9
136.07584	5.0
140.07028	1.9
141.22252	1.0
142.47865	1.1
146.05968	2.4
148.07578	4.4
162.05556	1.5
165.81033	1.3
166.08611	3.2
174.05516	1.0
177.05577	2.1
187.08664	1.3
213.10191	1.2
221.10715	1.6
222.11574	2.9
223.08606	7.6
223.12268	2.5
225.10204	16.2
227.11766	1.2
235.08664	5.2
235.12299	2.8
236.09448	3.8
236.13046	1.6
237.10191	8.9
237.13907	4.5
238.10994	7.5
239.11859	7.9
240.12643	1.7
241.09821	1.2
247.12273	1.6
248.09395	2.4
249.10216	11.7
250.10934	12.7
251.08084	4.5
251.11763	33.2
252.12605	5.3
253.09846	1.6
253.13330	5.2
263.08698	1.4
263.11761	19.9
264.09085	1.4
264.12561	5.7
265.09781	8.4
265.13342	39.4
266.10501	2.2
266.13901	4.0
267.11325	2.6
267.15002	4.0
269.12778	1.2
275.11725	1.8
276.09946	1.5
277.09738	3.5
277.13141	1.5
278.10477	7.3
279.11255	17.7
280.11862	3.2
281.12820	3.9
283.10809	5.7
283.13727	1.2
284.11606	1.4
285.12146	1.7
291.11105	5.2
293.12750	13.5
294.13562	2.2
295.10742	3.3
295.14355	3.2
296.11526	4.4
297.12369	5.7
298.13004	1.1
309.12283	14.8
310.13019	1.5
311.13840	30.6
312.14340	1.9
313.15198	1.7
314.16290	1.1
319.10635	3.3
320.11353	1.8
321.12244	3.0
323.13904	1.9
337.11813	4.8
338.12454	1.8
339.13351	7.6
340.14114	1.7
351.13251	1.6
353.14987	3.8
357.14700	1.1
358.15366	2.0
369.14395	15.5
370.15036	2.9
371.15952	30.5
372.16568	2.7
399.15445	2.0
400.16107	2.4
414.18228	2.8
432.19336	5.9
442.17426	1.5
460.18582	3.0
474.20120	1.1
483.13776	2.0
484.14917	1.9
485.15567	6.6
487.17136	2.0
492.21506	1.5
501.14929	3.7
503.16556	6.3
512.14026	2.3
513.14941	2.8
529.14301	5.7
530.15143	2.9
531.16150	13.6
561.17017	13.2
562.17084	1.4
563.18652	24.8
580.22894	1.9
606.20703	3.6
624.21674	1.4
634.20001	10.0
652.21283	100.0
653.21863	7.4
654.23151	2.6
666.23102	6.9
670.24023	1.3
672.23578	2.3
684.23871	61.4
685.23853	4.6
793.29248	3.6
794.47473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	0.3
67.05491	0.5
70.06625	0.4
74.25134	0.4
79.05502	0.3
85.02922	0.4
91.05490	0.6
97.02887	0.9
105.07051	0.6
119.47896	0.4
123.24596	0.4
127.03928	0.5
185.04175	0.9
201.03783	0.4
203.05351	1.4
207.42255	0.4
220.43698	0.4
243.08553	1.1
245.06358	0.6
289.09009	0.5
347.09506	5.0
361.11298	0.6
363.09109	0.6
365.10428	2.3
405.13647	4.4
413.17477	0.5
427.24960	0.5
445.25839	2.5
483.27182	0.4
491.22742	0.5
501.28329	2.5
575.23071	0.7
607.25568	0.4
619.34113	0.4
635.34113	1.1
645.32489	0.5
663.33435	11.1
663.44025	0.5
664.34247	0.5
825.38660	100.0
826.38910	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	825.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	0.6
70.06592	100.0
71.06931	0.8
72.08160	11.0
79.46819	0.5
84.08190	0.5
86.09686	2.7
91.05498	0.6
93.00296	0.4
98.02468	0.5
98.06057	19.3
98.23550	0.6
112.07635	1.8
115.08710	1.0
116.07127	1.0
123.09204	0.8
124.11217	4.8
126.05513	15.6
136.07578	7.1
138.12766	4.9
138.26971	0.4
139.08717	1.7
140.07083	0.5
141.10225	12.3
151.12285	0.6
154.59015	0.4
157.09721	13.0
159.11287	2.9
162.09174	0.7
164.60652	0.3
165.10295	0.5
167.08162	18.0
167.11823	6.1
169.09731	13.6
177.10252	0.8
183.14922	0.6
185.09216	13.9
186.09128	2.3
187.10854	1.1
188.10695	9.7
188.12318	0.6
190.12314	0.5
193.12096	0.9
195.11292	17.3
197.09238	1.0
204.13847	0.5
211.10921	0.6
212.13992	0.9
219.64200	0.4
220.14630	0.7
226.15373	0.5
228.13388	0.4
233.12950	0.6
235.14435	0.7
238.11862	2.0
238.15472	3.8
249.16110	1.4
256.13043	1.3
256.16516	4.1
259.14468	0.5
261.12488	0.7
264.13330	0.4
266.14984	25.8
267.15292	1.1
269.16473	0.9
280.16537	0.5
284.16028	4.9
301.19046	0.5
306.22040	0.5
310.17273	0.4
325.18640	0.6
327.20276	0.6
335.17264	2.1
337.18985	0.7
353.18353	1.9
363.20276	2.7
379.23642	0.5
419.23026	1.2
422.23978	2.1
424.25543	0.6
429.21170	0.6
432.22372	2.2
434.24170	1.2
447.22311	2.7
450.23566	3.5
467.26328	0.7
491.29819	0.8
503.30017	0.9
521.30719	5.0
531.29388	1.3
532.30969	0.6
542.29877	2.0
549.30334	4.6
560.31012	4.6
615.30817	0.5
684.37384	1.1
694.35413	0.6
712.36566	10.6
713.37140	1.0
797.45441	6.8
798.44806	0.6
825.45007	22.5
826.45483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63723	0.2
60.04521	0.8
67.06033	0.2
68.05010	0.4
69.07048	0.5
70.06587	100.0
70.69560	0.5
71.06923	0.9
72.08150	3.0
80.76049	0.2
86.09701	8.4
87.05581	0.2
88.04000	0.3
91.05453	0.2
93.07024	0.3
96.08123	0.4
98.02410	0.6
98.06049	0.5
103.05453	0.7
109.07585	0.2
112.07580	0.8
112.11227	0.4
115.08694	0.5
117.75725	0.3
120.08096	44.0
121.08418	0.7
124.11234	1.0
126.05486	0.5
132.08113	0.2
138.12749	2.0
139.08659	2.6
140.14328	0.4
141.10213	14.6
142.10522	0.2
143.11804	0.6
144.08127	0.4
154.15950	0.3
155.08113	0.3
157.09715	16.2
162.09100	0.7
167.08151	28.8
168.08452	0.6
169.09717	17.3
172.11180	0.7
183.11258	0.4
183.14908	1.0
185.09201	17.4
186.12329	0.3
188.14323	0.8
189.10075	0.3
195.11272	0.3
197.12849	0.4
199.18069	0.5
202.11874	0.8
207.11269	3.5
209.16414	0.5
211.10789	0.3
211.14400	2.1
217.09685	0.3
221.83420	0.2
225.15953	0.4
233.16441	2.4
235.10747	2.0
240.17003	1.6
243.14925	0.3
245.12833	0.3
260.89529	0.2
261.15973	1.4
266.14929	0.3
268.16513	4.9
271.14182	0.3
280.16516	0.5
282.14737	0.3
282.18130	0.9
286.15384	0.8
304.16461	1.6
314.14954	15.3
315.14963	0.4
325.28098	0.2
329.22250	0.4
330.18109	0.4
332.16019	10.2
353.25256	0.9
358.17194	0.3
365.21530	0.5
374.24277	0.9
381.24966	1.6
395.26520	0.3
399.23917	0.3
401.21729	0.3
417.24890	4.7
427.23459	1.6
434.23718	0.3
443.26212	0.8
445.24457	21.3
446.24759	1.3
452.24661	0.8
466.33060	0.3
471.25839	0.5
472.25574	0.3
494.33215	1.4
500.24759	0.3
512.32220	0.3
528.30963	0.5
530.33337	4.1
540.25031	0.3
540.31824	3.7
541.31915	0.2
558.32825	18.0
559.33221	1.3
571.31927	0.6
581.30432	0.7
599.31903	1.6
612.37274	0.5
613.33313	1.6
614.32751	0.2
629.38605	0.3
641.39813	0.3
655.37341	0.6
657.38898	0.6
684.40967	1.5
694.38477	0.8
712.40216	7.8
713.38788	0.5
726.30933	0.2
726.41840	3.3
727.41321	0.3
797.48932	1.7
807.47662	0.5
825.48340	3.7
826.47900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81661	0.3
61.02924	1.1
69.03431	3.0
71.01345	0.6
71.04991	4.7
73.02912	7.6
74.03250	0.3
75.04494	0.3
79.05488	0.3
81.03416	0.8
83.04986	3.0
85.02899	9.0
87.04460	0.6
89.03905	1.6
95.04955	0.3
97.02885	5.8
99.04435	0.6
100.11255	0.4
107.04940	0.6
111.04431	2.6
114.05556	0.4
115.03926	2.0
117.03382	1.9
127.03888	0.6
129.05466	2.2
133.05003	1.5
135.04416	4.4
139.03874	0.4
145.02832	4.8
145.05194	0.9
146.05998	1.3
147.06505	0.8
148.07634	0.3
155.32751	0.2
160.03925	0.5
161.04677	0.3
163.03889	45.2
164.04239	1.1
174.05493	4.6
174.07121	0.3
174.07625	0.4
175.06268	5.9
176.07057	3.9
177.05443	0.7
181.04939	1.4
188.06975	0.7
206.08105	66.1
207.08403	1.9
210.14899	0.4
211.15205	0.3
224.09151	100.0
225.07553	0.5
225.09512	2.6
243.08603	0.4
245.97466	0.2
261.09424	0.3
307.08179	0.6
325.09171	10.0
326.09598	0.4
356.13315	0.4
370.14914	1.0
381.27411	0.2
386.14539	0.5
548.09637	0.4
548.17590	6.5
549.17798	0.4
551.08624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04967	0.4
59.92709	0.2
61.02922	1.0
65.03948	0.6
66.51196	0.2
67.05499	2.3
69.03427	2.3
70.55816	0.4
70.56155	0.4
71.01340	0.3
71.04993	0.5
73.02900	0.3
74.23367	0.2
81.03413	2.2
83.04977	43.3
84.05322	0.4
85.02899	100.0
86.03239	0.7
87.00830	2.1
87.04472	1.0
91.05477	0.6
95.04946	0.2
97.02885	2.9
99.04433	1.1
101.06030	0.5
101.62671	0.2
105.01846	2.0
109.02873	2.3
111.04436	28.1
112.04756	0.4
114.10302	0.3
117.01891	0.3
127.03909	9.4
129.01822	0.3
129.05473	12.1
137.05942	0.3
145.04965	1.3
147.02795	0.3
149.14650	0.2
151.07536	1.0
153.05438	0.4
159.02916	0.9
163.04007	0.4
165.09016	0.3
171.06512	91.9
172.06874	1.7
177.05542	0.4
193.08614	0.3
195.06490	0.6
213.04041	0.5
231.05289	1.5
231.08614	20.8
232.09010	0.6
237.98621	0.3
249.06123	0.6
277.10565	0.4
326.17007	0.7
374.21689	0.2
409.27423	0.2
425.04855	0.2
474.08484	0.2
829.88593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.2
61.02923	1.1
65.03941	0.6
67.05500	2.2
69.03426	2.6
69.21964	1.8
71.01346	0.4
71.04984	0.7
73.02892	0.7
74.75620	0.2
81.03421	2.8
81.07082	0.3
83.04971	45.6
84.05312	0.4
85.02894	100.0
86.03232	0.9
87.00816	2.5
87.04470	0.8
91.05462	0.5
97.02882	2.3
99.04456	0.8
101.06011	0.3
105.01845	2.7
109.02859	2.6
111.04429	28.9
111.96425	0.2
112.04720	0.3
117.01847	0.4
118.45358	0.3
119.04908	0.3
127.03903	8.6
129.05463	12.8
137.05957	0.4
145.04968	1.2
151.07591	1.3
153.05424	0.7
159.02873	0.8
163.03966	0.5
171.06500	93.5
172.05524	0.2
172.06790	1.3
181.04985	0.5
189.07603	0.3
193.08598	0.6
213.03925	0.7
231.04890	1.2
231.08598	22.9
232.08899	0.4
249.05833	0.6
277.10532	0.7
326.16971	0.6
341.42383	0.3
461.12964	0.3
563.38373	0.3
653.33917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08207	0.5
61.02923	5.3
65.03939	1.5
65.24808	0.5
67.05501	14.6
68.05023	1.9
69.03423	9.4
69.05807	0.9
69.07057	3.3
70.02965	0.5
70.06589	9.2
71.01337	0.9
71.04990	100.0
72.04535	0.9
72.05329	0.5
73.02921	4.3
78.91904	0.5
79.05489	16.2
80.05048	1.1
81.03410	3.1
81.07050	11.5
83.04978	1.2
83.08623	2.7
84.04480	0.9
84.08135	5.2
85.02905	5.8
85.06530	0.7
86.06063	5.8
87.04481	0.6
88.03989	4.7
91.03952	2.7
91.05478	6.3
93.07034	11.0
94.06601	0.6
95.04967	2.8
95.08595	6.2
96.08131	11.3
97.02887	5.5
97.06520	0.7
97.10162	4.7
97.29694	0.5
98.06052	4.5
101.02367	1.6
102.05578	0.5
104.10737	2.4
105.04514	1.0
105.07034	3.4
106.06582	2.3
107.08587	6.4
109.02897	0.9
109.06508	0.9
109.10133	3.4
111.08066	1.4
112.07600	7.5
114.05527	1.1
114.09226	0.5
117.07014	2.4
119.08593	2.9
121.10108	3.2
122.06044	1.0
123.08108	0.8
124.07579	5.2
125.09590	3.7
125.24776	0.5
127.03922	1.1
130.35333	0.5
131.08569	1.6
133.10172	1.1
135.08096	2.2
135.11702	1.4
140.07076	1.7
141.07875	1.3
142.08623	7.5
145.10101	1.1
147.11761	0.8
153.09164	1.3
158.08127	10.5
163.11163	0.9
168.68637	0.5
170.08148	3.0
173.13229	0.6
184.07391	0.6
189.11263	2.3
202.10793	0.6
218.97197	0.6
227.12711	3.4
248.16550	1.3
261.22131	1.3
335.25800	6.7
505.35303	0.6
646.43469	1.0
664.44348	2.2
764.69922	0.5
771.23816	0.6
826.49384	94.8
827.49915	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	826.4947
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02918	5.6
63.52197	0.6
65.03940	1.0
66.88472	0.6
67.05499	13.2
68.05018	1.4
69.03430	8.5
69.07072	3.3
69.85680	1.4
70.02963	0.6
70.06588	7.3
71.01338	0.9
71.04990	100.0
72.04519	0.6
72.05324	0.9
73.02907	3.6
79.05489	12.7
81.03410	2.7
81.05845	0.6
81.07053	10.7
82.06587	1.3
83.04980	1.1
83.08618	2.3
84.04498	0.8
84.08137	4.8
85.02910	5.4
86.06064	5.5
87.04455	0.8
88.03980	3.8
91.03955	2.5
91.05475	6.4
93.07050	11.6
94.06565	0.8
95.04976	3.0
95.08604	5.2
96.08137	10.0
97.02894	5.8
97.06554	0.8
97.10167	5.2
98.06048	4.1
99.04483	0.8
101.02417	0.9
104.07114	0.8
105.04510	1.0
105.07015	3.0
106.06563	1.8
107.08591	5.5
109.06492	0.6
109.10168	2.7
111.08080	2.0
112.07607	7.3
115.85294	0.5
117.07037	1.2
119.08590	2.3
120.08161	0.7
121.10138	2.7
122.06002	1.0
124.07581	4.6
125.09630	3.1
127.03849	1.3
129.05487	0.8
131.08580	1.3
133.10104	1.2
135.08054	2.0
135.11769	1.3
140.07083	0.7
141.07848	1.0
142.08624	5.6
142.94424	0.7
145.10126	1.0
147.11662	0.7
153.09105	2.3
158.08131	9.5
170.08182	3.6
184.07324	0.7
189.11264	2.3
227.12749	3.4
248.16637	1.1
335.25775	6.0
363.78485	0.6
592.36432	0.6
602.03656	0.6
620.39563	0.6
646.42877	1.5
664.44482	2.2
826.49408	86.7
827.49890	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.0
61.02925	10.6
66.05223	1.6
67.05502	60.0
68.45280	1.4
69.03396	1.4
69.07053	5.8
69.60487	6.3
71.04987	2.9
71.08632	16.6
73.02924	2.8
79.05511	1.9
81.03423	1.4
81.07065	15.6
83.08620	8.7
84.33953	1.5
85.02899	11.1
85.06540	2.2
85.10177	9.3
90.94570	1.3
91.03954	6.7
91.05484	4.4
93.07048	2.6
95.08609	12.3
97.02898	4.9
97.10186	2.3
107.08585	1.7
109.10154	58.5
111.08086	3.4
119.08558	4.2
123.11686	2.7
127.03913	2.2
137.09593	2.2
144.78159	1.3
145.04974	3.4
155.10677	4.5
163.05997	3.4
173.11720	17.6
174.13634	1.5
184.07298	1.7
192.28294	1.2
229.14333	100.0
230.14633	2.7
239.23784	1.7
250.62804	1.6
262.71460	1.3
313.27347	72.8
314.27670	4.9
359.47070	1.5
467.37329	65.4
468.37436	4.3
749.95636	1.6
826.47980	3.3
827.48138	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	827.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03412	2.5
84.96021	4.7
98.88007	1.5
98.97018	2.2
98.97559	10.9
110.97564	6.3
116.98600	4.5
124.99123	4.6
128.98605	5.1
131.04988	2.0
139.00658	1.6
143.00162	15.4
145.01801	2.2
146.99648	3.0
149.05960	1.8
152.98598	6.0
156.98128	4.2
157.01833	1.8
158.99646	5.0
161.01216	12.0
167.07002	6.2
169.44270	1.6
170.99660	8.0
174.99149	4.3
177.00729	4.0
179.00116	5.0
182.99591	2.8
187.02805	1.8
197.01207	7.9
199.02682	3.3
201.00706	4.1
205.01671	7.2
215.02258	3.1
219.01744	8.7
221.01082	1.8
223.02771	46.0
225.00705	2.9
237.02742	10.7
241.03818	96.8
242.04224	2.3
242.19633	1.6
243.01672	1.6
259.02280	3.0
259.04868	28.1
259.07394	2.9
264.05536	1.8
265.03830	33.7
283.04877	64.3
301.02655	1.7
301.05899	5.7
323.04395	2.8
325.05875	5.7
367.07037	3.8
377.84378	1.8
403.09085	23.6
421.10190	28.1
460.17224	1.7
463.11209	100.0
464.11456	3.3
561.14557	2.3
569.15405	4.2
767.11145	2.0
767.22552	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	827.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00849	1.1
69.98454	3.9
81.03424	3.2
84.96030	5.5
97.96787	3.2
98.97573	11.3
110.97569	5.5
116.98618	5.4
124.99139	4.8
127.00684	2.0
128.98602	5.6
134.99728	1.4
143.00172	13.9
145.01715	1.7
146.99657	3.7
152.98592	4.1
156.98114	5.1
158.99702	4.9
161.01210	12.5
164.98628	1.4
166.09999	1.5
167.07016	7.9
170.99611	7.5
174.99182	7.5
177.00719	4.3
179.00137	1.9
181.01825	2.5
182.99628	2.9
185.01237	1.4
195.03339	2.0
197.01225	5.4
199.02768	2.4
201.00771	3.7
205.01628	7.6
211.02824	1.7
215.02254	4.1
219.01695	11.0
223.02788	38.7
225.00667	3.4
225.04323	2.0
237.02789	10.9
241.03836	100.0
242.04085	2.9
256.76974	1.3
259.04904	30.9
265.03836	35.8
273.02606	2.3
283.04880	66.7
301.02386	2.7
301.05896	6.6
306.06552	1.6
323.04477	2.4
325.05939	4.4
364.36053	1.5
367.06918	4.9
403.09116	20.5
403.14212	1.1
421.10168	24.8
463.11224	93.2
464.11588	5.4
489.12479	1.6
561.14563	1.8
587.16577	1.5
748.74939	1.5
767.22803	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	827.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.3
67.05502	3.9
69.03424	3.6
69.07063	0.8
70.06579	0.8
71.01350	0.5
71.04996	0.9
73.02914	5.0
79.05487	2.7
79.29077	0.3
81.03413	1.8
81.07050	4.4
82.31694	0.5
83.04971	0.7
83.08626	1.1
85.02901	6.5
85.06542	0.4
87.04507	0.7
91.03959	4.2
91.05483	2.1
93.07032	3.1
95.04985	0.7
95.08601	1.1
97.02888	6.4
99.04468	1.4
101.02379	2.3
103.03964	0.4
105.07047	1.0
107.08621	1.7
109.02902	0.9
115.03954	0.5
117.07040	1.0
119.64243	0.4
121.10133	0.8
127.03942	2.5
131.08568	0.7
133.10143	1.4
133.75362	0.4
135.11705	0.6
145.04950	0.5
148.46233	0.4
149.13319	1.7
159.11720	1.0
177.12804	0.4
185.04224	0.8
195.13902	1.2
203.05315	1.2
235.13127	1.4
243.08505	1.3
257.08163	0.4
269.17593	1.1
291.15805	0.7
347.09430	4.7
363.09085	0.8
365.10464	2.0
379.39224	0.4
405.13705	6.8
419.24173	0.5
421.67719	0.4
453.20944	14.9
520.81714	0.5
615.26160	19.6
616.26495	0.9
665.35150	3.4
827.40277	100.0
828.40442	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	827.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.2
67.05509	4.9
69.03429	4.8
69.91519	2.9
70.06593	1.5
73.02906	4.6
76.70583	0.8
79.05502	3.1
81.03422	1.7
81.07050	7.7
83.04987	1.1
83.08643	1.1
85.02902	6.8
85.03329	0.8
87.04477	1.3
91.03947	4.3
91.05481	2.4
93.07056	3.1
95.08588	1.4
97.02897	6.5
97.06488	1.2
101.02390	1.6
102.33205	0.8
103.98308	0.7
105.07030	1.0
107.08627	2.5
109.02893	1.7
127.03934	2.0
131.08549	1.4
131.21019	0.7
133.10156	1.4
149.13306	1.6
151.89204	0.8
159.11708	0.9
161.73360	0.9
169.37018	0.8
180.16048	0.9
195.13855	1.8
203.05322	2.0
203.57607	0.8
243.08525	1.4
269.17587	2.2
290.75159	0.8
291.15854	1.3
347.09384	4.2
356.43280	0.9
363.25198	0.9
365.10522	2.2
395.26001	0.8
405.13748	7.8
453.21005	15.7
453.26907	1.3
503.29825	1.2
615.26221	23.6
616.26538	3.0
665.34692	5.3
827.40295	100.0
828.40521	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	827.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40815	0.6
61.02924	5.7
67.05511	4.0
69.03439	3.1
69.07070	1.4
69.32440	3.3
70.06599	1.0
73.02911	4.4
79.05508	2.7
79.25201	0.6
81.03429	2.6
81.07054	6.2
83.04974	0.7
83.08635	1.6
85.02904	6.4
91.03954	3.6
91.05496	1.7
93.07053	4.5
95.08607	1.4
97.02898	6.2
97.06528	1.1
99.04453	0.8
101.02409	2.0
105.07061	1.2
107.08630	1.8
109.02890	0.7
117.07014	0.7
121.10136	1.4
121.22523	0.6
123.88491	0.6
127.03925	2.1
135.11710	0.9
148.00478	0.6
149.13286	3.1
159.11708	1.7
163.37535	0.8
171.25824	0.6
185.04213	0.8
195.13832	1.3
203.05290	0.7
212.57521	0.6
228.64218	0.6
235.13112	2.2
243.08481	2.2
243.66469	0.6
262.21100	0.6
269.17450	0.6
291.15945	1.4
306.92975	0.6
347.09500	3.1
401.99734	0.7
405.13763	7.0
453.20926	15.6
453.26804	0.8
454.21237	0.8
550.14709	0.8
615.26147	14.6
616.26105	0.9
665.34778	2.1
827.40314	100.0
828.40710	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93225	0.4
61.02927	7.7
67.05499	7.0
69.03422	4.2
69.07071	1.6
71.01363	1.0
73.02914	5.3
79.05493	5.8
81.03433	1.5
81.07050	6.5
83.04967	0.5
83.08652	1.0
85.02908	7.9
90.24736	0.6
91.03954	4.3
91.05481	4.5
93.07046	5.0
95.04951	1.1
95.08604	4.8
97.02893	5.6
98.23483	1.6
99.04482	1.0
101.02366	2.4
105.07030	4.4
107.04953	0.5
107.08561	3.0
109.02868	1.2
109.10175	2.3
117.07011	1.8
119.08608	2.2
121.10159	1.4
127.03921	1.4
128.06259	0.6
129.07013	1.1
131.08589	2.0
133.10165	1.8
135.11732	1.6
140.17941	0.5
143.08571	0.9
145.10158	1.9
157.10089	0.7
159.11729	1.6
168.87300	0.6
171.11716	1.0
184.07500	0.6
185.04347	0.8
202.19669	0.6
203.05020	0.5
243.08414	3.7
273.18643	0.7
306.46222	0.5
315.10550	0.5
331.18790	6.8
335.26001	0.7
338.98087	0.6
360.49042	0.6
387.21301	0.6
413.17694	0.6
427.03909	0.6
469.84262	0.6
519.29266	5.6
520.30121	0.6
549.26642	5.0
579.70660	0.7
827.49078	100.0
828.49445	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89048	0.7
61.02928	5.0
67.05510	5.2
67.05820	0.7
69.03436	4.3
71.05006	1.7
73.02933	2.8
74.81747	0.7
79.05498	5.0
81.03425	1.1
81.07062	3.8
83.98475	0.8
85.02902	5.6
91.03955	3.8
91.05476	3.8
93.07025	4.9
95.04972	1.5
95.08630	2.5
97.02881	4.5
98.22695	1.9
99.04463	1.0
101.02383	1.5
104.34718	0.7
105.07035	2.7
107.08625	2.4
109.10173	1.6
117.07038	1.4
119.08627	2.3
119.81802	0.8
121.10152	1.4
126.81322	0.8
127.03944	1.3
129.52115	0.8
131.08566	1.4
133.10156	1.3
135.11766	1.1
137.27461	0.7
143.08580	1.1
145.10162	1.7
161.09656	0.9
243.08546	3.0
331.18829	4.3
468.38150	0.9
519.29620	4.4
549.26563	5.4
674.32990	1.1
744.55286	1.0
827.49042	100.0
828.48956	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	828.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10983	0.1
60.04513	0.3
64.83395	0.1
65.03938	2.1
67.05502	1.9
69.03431	0.2
71.44038	0.1
77.03926	0.4
80.02643	0.5
81.03398	0.2
85.02898	0.4
87.00810	0.1
93.03391	0.2
95.04961	1.7
97.02879	0.3
105.04517	0.5
105.51999	0.1
108.02087	2.8
108.02770	0.2
109.02856	0.5
111.04460	0.7
121.03974	0.5
122.28107	0.1
123.04406	0.3
127.03923	0.3
136.01526	0.6
141.05463	3.0
151.03900	100.0
151.04982	9.7
152.04237	1.5
152.05353	0.2
159.03082	0.1
163.03880	0.3
207.98145	0.1
244.28563	0.1
272.54922	0.1
278.57602	0.1
279.04886	0.2
314.26663	0.2
332.27972	0.3
373.62091	0.1
425.59680	0.1
447.09183	0.5
475.08615	1.0
493.09964	0.2
501.59464	0.1
643.12750	0.1
828.38513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.4
61.02925	2.3
63.02369	0.5
65.03918	0.2
65.83302	0.2
67.01861	1.0
67.05481	0.3
68.20434	0.1
68.99789	0.3
69.03426	7.1
71.01350	1.4
71.04989	7.1
71.42177	0.2
73.02914	16.9
73.71951	0.1
74.03239	0.3
75.04464	0.6
77.03937	0.2
79.05483	0.7
81.02969	0.3
81.03416	4.8
83.04977	5.9
85.02901	15.4
86.03220	0.2
87.00843	0.5
87.04468	1.1
89.03908	4.5
91.05475	1.9
95.04965	0.9
97.02888	9.7
97.06497	0.2
98.09676	0.7
99.04459	2.0
101.06032	0.2
103.03918	0.5
105.01823	0.2
105.07030	1.4
107.04939	1.5
109.02874	7.2
111.04434	3.6
113.02334	0.2
115.03927	3.8
116.10728	1.0
117.03371	7.5
123.04447	0.4
125.02345	0.4
125.05989	0.2
127.03908	7.7
129.01805	0.4
129.04529	0.3
129.05469	3.1
131.46149	0.1
133.04956	2.1
133.06560	0.2
134.03586	0.2
135.04410	12.4
139.03857	0.5
143.04900	0.5
145.02841	18.7
146.03136	0.4
147.06508	2.1
149.05948	0.9
151.03880	1.0
153.05496	0.2
161.05904	0.2
163.03891	100.0
164.04228	2.0
164.09158	0.2
165.05556	0.2
169.04881	0.2
171.06509	0.3
177.05458	19.1
179.06981	0.2
181.04945	6.6
181.06369	0.2
186.05498	0.3
189.05498	0.2
195.06509	1.4
196.07318	0.5
203.07074	0.2
209.06110	0.2
213.03935	0.9
213.09131	0.3
225.05547	0.2
225.07533	0.9
227.07080	0.6
231.04968	0.7
231.28464	0.2
243.06337	0.2
243.08627	0.6
247.06042	0.3
261.09698	0.5
271.06027	0.6
278.40988	0.2
289.07013	0.3
290.97070	0.2
296.13361	0.4
307.08203	1.3
321.10193	0.2
369.08029	0.2
375.07321	0.2
393.08188	0.7
411.09183	41.2
412.09537	1.3
425.10757	7.8
515.15430	0.5
521.10736	0.2
557.15503	0.3
827.57532	0.2
828.58154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86827	0.7
61.02914	7.8
65.03925	1.7
67.05501	32.6
68.05025	1.0
69.03426	15.4
69.07071	8.7
70.06584	6.0
70.62535	1.5
71.04979	2.9
71.33273	0.9
73.02905	4.8
77.03947	1.0
79.05489	25.1
80.05006	2.9
81.03412	20.5
81.07049	30.6
82.06554	2.5
83.04963	5.0
83.08622	6.2
84.04491	8.2
84.08125	3.4
85.02900	8.3
85.06528	1.8
86.06059	49.2
87.04460	23.5
88.68410	0.8
91.03963	4.7
91.05479	15.2
93.07043	28.6
94.06558	2.3
95.04960	9.0
95.08601	23.4
96.08119	2.5
97.02888	7.1
97.06511	4.8
97.10148	2.8
98.06049	35.8
99.04386	1.1
101.02367	1.4
102.05537	1.9
104.07099	26.6
105.04498	1.0
105.07017	10.7
107.04941	1.9
107.08595	12.6
108.08099	1.3
109.06514	1.1
109.10155	8.4
111.08064	2.4
112.07597	14.3
114.05537	1.2
117.07009	3.3
119.08576	7.3
121.06538	1.1
121.10128	15.0
123.11671	2.6
124.07585	4.6
125.09689	1.1
126.05511	6.2
126.09134	2.2
127.03875	1.2
127.24908	0.8
129.06985	2.2
131.08551	8.6
133.06477	1.2
133.10130	4.6
135.11681	3.9
136.07533	1.3
137.09653	1.1
138.09116	1.1
138.12770	3.3
139.11165	1.9
140.07050	4.3
142.08604	3.4
143.08562	1.0
145.10089	3.1
147.11656	5.5
148.07571	3.1
149.09610	28.2
149.13277	3.2
151.11153	1.3
154.08592	2.7
157.10149	3.9
158.08127	9.7
159.11690	3.0
162.92531	1.1
163.11108	1.5
165.12729	3.0
166.12259	2.7
173.13303	1.4
175.11137	3.5
177.12723	2.6
182.15376	1.7
184.13290	3.0
192.13824	1.5
193.12259	9.6
194.15306	1.2
195.13745	1.9
206.15445	2.1
210.14850	7.0
211.13248	2.0
212.16212	0.9
216.13890	1.2
224.16446	3.1
234.14828	3.2
250.18016	2.9
252.15901	12.5
260.16507	6.1
261.22147	4.2
266.12265	1.0
267.15915	23.1
268.19055	2.4
270.16992	2.0
278.17502	12.1
290.99640	0.9
296.18442	5.7
306.72461	1.0
314.19601	2.5
326.19406	1.6
332.24408	1.4
335.25784	28.4
344.20544	3.8
348.09586	1.1
362.21564	1.9
370.22284	5.4
388.23343	4.3
527.37152	9.9
528.37012	1.0
545.38428	5.4
568.21979	1.1
604.41803	5.2
622.43103	34.5
622.53156	2.1
623.43042	2.5
630.43561	3.8
631.44525	1.2
648.44617	100.0
649.45087	7.6
666.45282	2.6
766.46002	2.4
784.48230	5.2
810.49908	49.4
811.50006	5.9
828.54352	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	829.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	1.3
69.03419	0.5
69.07057	0.4
69.07401	0.3
69.19057	1.9
70.06596	0.6
77.75016	0.3
79.05470	0.6
81.03404	0.9
81.07044	1.3
86.06060	1.4
91.05467	0.8
93.07026	1.0
95.04953	1.2
95.08597	0.9
98.06036	1.7
104.07108	0.4
105.07014	0.6
107.08623	0.8
109.06521	0.3
109.10172	0.3
118.12232	0.4
119.08566	0.6
120.03659	0.4
121.10123	1.1
131.08536	0.4
135.11679	0.7
144.12837	0.3
149.09633	1.0
150.10014	0.4
163.11078	0.4
193.12292	0.3
252.15942	0.4
268.16342	0.4
278.17709	0.4
295.76968	0.3
335.25876	0.5
336.26028	0.4
337.17688	7.3
340.91522	0.3
395.18250	16.4
396.18616	0.8
397.19852	10.3
436.21078	0.7
457.21918	100.0
458.22287	3.7
475.48663	0.3
484.29080	0.4
527.36798	0.4
622.42780	0.5
623.43329	1.2
648.44562	1.5
649.44763	2.4
811.50732	1.7
829.53302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	1.4
69.07092	0.6
69.52129	0.9
69.52486	2.3
70.06587	100.0
71.06924	0.8
72.08150	21.7
84.08137	1.3
86.09700	25.2
91.05479	3.6
98.09686	0.5
98.22729	0.8
99.05572	1.1
100.07626	1.1
111.72643	0.5
112.07576	3.0
115.08717	2.3
117.06639	0.6
119.04955	2.6
121.06499	1.2
124.26591	0.5
126.12778	0.7
127.05063	1.3
127.08772	0.6
128.07175	0.6
128.10728	0.9
129.10266	0.5
136.07567	40.4
139.08644	1.2
140.14355	3.3
145.06084	2.7
148.07654	0.7
154.15910	1.4
155.08159	1.3
157.09703	4.6
167.08165	2.5
168.11351	0.6
169.13350	49.3
170.13695	0.7
171.11360	1.0
178.08699	1.2
181.88782	0.5
183.14938	1.4
185.09238	3.2
185.16476	1.6
190.12268	4.5
195.07590	0.9
196.10843	2.0
197.12845	34.0
198.13161	0.7
199.18039	4.5
204.13802	3.7
209.13034	0.6
211.14359	1.5
213.15997	1.4
214.15569	0.9
224.10297	5.4
226.11935	1.2
227.17662	1.9
233.12860	2.3
235.10872	0.7
235.14400	10.2
238.15544	1.4
239.13954	1.0
242.11386	2.1
244.12990	0.7
244.63087	0.6
249.16031	4.4
261.12390	1.1
263.13867	3.9
266.15012	2.6
269.36322	0.5
277.15375	2.7
284.16077	2.8
289.19147	1.3
295.17487	1.1
303.20700	3.2
310.21222	13.6
313.18661	1.2
317.22174	0.7
320.16049	1.5
323.17184	1.5
327.24109	1.0
331.20050	0.9
341.18188	3.5
345.21564	0.6
352.22397	0.8
369.25064	0.6
379.23566	0.6
389.18115	1.3
390.23837	1.7
395.30157	3.1
397.24539	2.1
407.19345	1.8
412.25601	0.7
423.29654	6.5
426.27386	1.0
433.25354	0.7
436.25632	2.1
440.25192	0.8
454.26498	4.2
461.30759	0.7
465.30676	0.7
473.27551	0.9
475.25552	0.8
489.30661	1.1
502.26593	1.8
504.24518	0.7
508.31232	1.5
510.32916	1.3
520.27582	2.0
539.35510	0.8
549.34259	1.5
553.33594	1.5
558.37195	1.0
567.34790	4.4
572.34296	1.0
585.30066	1.2
586.36017	5.8
599.31482	1.1
603.31354	1.5
617.33002	2.2
621.39832	0.9
628.36407	1.1
633.35809	0.7
643.37469	0.6
648.40594	1.6
657.43195	0.6
666.41858	1.6
671.37225	1.6
673.38605	0.6
685.42041	2.1
688.40045	1.7
698.38116	3.5
702.41132	0.9
712.39923	3.0
716.39832	6.5
730.41089	4.6
742.44708	1.2
752.37305	0.6
753.98914	0.7
784.46436	1.2
801.48022	1.8
811.47113	5.3
829.48273	5.6
830.48718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.0
63.09552	1.2
67.05502	3.7
69.03410	1.7
69.07099	1.6
69.24295	2.5
69.24654	7.8
70.64610	1.2
73.02927	4.3
79.05496	3.8
81.03412	2.4
81.07063	2.9
82.68456	1.3
85.02924	3.8
91.03966	3.0
91.05495	1.7
92.86873	1.4
93.07043	3.0
95.08610	3.2
97.02908	4.8
98.22694	3.0
105.07046	1.5
121.99242	1.5
154.53969	1.3
173.21332	1.4
220.42790	1.3
223.38832	1.4
243.08513	1.9
278.55893	1.5
335.26144	1.4
353.17825	1.4
519.29376	6.1
551.28247	3.4
829.50647	100.0
830.50714	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	829.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.9
67.05499	5.9
69.03439	3.1
69.07069	1.5
69.99515	1.9
69.99863	1.2
73.02909	4.3
79.05486	5.2
81.03419	1.8
81.07050	4.5
83.08593	0.9
85.02896	5.1
91.03959	2.9
91.05501	2.8
93.07023	3.2
95.04997	1.0
95.08593	4.3
97.02874	4.4
97.06548	0.9
98.22777	0.9
99.04446	0.8
101.02373	1.8
105.07024	1.9
107.08574	1.4
109.10158	1.7
119.08624	0.9
121.10143	1.3
127.03945	1.0
135.11800	0.9
137.59563	0.7
142.15469	0.7
149.13310	0.8
169.71117	0.6
243.08446	0.9
262.03275	0.7
268.45209	0.8
333.20483	3.0
413.68405	0.8
519.29218	6.9
551.28497	2.2
829.50616	100.0
830.50702	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.9
66.66275	0.4
67.05498	4.8
67.43163	0.4
69.03421	2.4
69.07072	1.3
71.43429	0.5
73.02916	3.2
79.05479	5.8
81.03387	1.0
81.07040	4.4
81.07432	0.4
82.65605	0.4
82.89309	0.5
85.02898	5.3
91.03973	2.8
91.04928	0.8
91.05465	5.5
93.07038	6.3
93.07536	0.7
95.04980	1.3
95.08590	2.7
97.02882	4.3
99.04458	1.0
101.02385	1.9
105.04517	0.9
105.07027	4.4
107.08588	2.9
109.02901	0.9
109.10168	0.8
117.07030	0.8
119.08606	3.3
121.10152	2.7
127.03943	1.7
129.07028	0.9
131.08591	1.5
133.10120	2.5
135.11703	1.1
143.08559	0.8
145.10086	1.2
147.11687	1.8
159.11693	1.1
173.13133	0.6
185.04277	1.6
243.08403	4.3
256.10040	0.5
259.20624	1.0
301.09067	2.0
310.33908	0.5
315.10638	1.5
317.20914	1.4
355.13959	0.7
373.11057	0.8
385.18408	0.8
397.18283	0.7
400.60156	0.7
429.17444	0.5
465.21310	1.5
495.22083	0.6
511.05145	0.6
525.23267	1.4
535.28723	16.9
536.29230	1.2
601.96564	0.5
607.30914	1.8
635.33594	0.7
691.40588	1.1
759.42291	0.8
829.50629	100.0
830.51068	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21460	0.6
61.02931	8.5
65.03944	1.0
66.34175	0.6
67.05505	9.2
69.03426	4.6
69.07062	1.7
71.04974	0.8
73.02924	5.3
76.47762	0.7
79.05492	9.2
81.03423	2.2
81.07047	7.7
81.07433	0.8
82.03103	0.7
83.04997	1.2
83.08615	1.5
83.77841	0.6
85.02894	7.9
85.24134	0.6
87.04469	1.2
91.03948	5.6
91.05480	7.4
93.07040	8.0
93.07541	0.8
95.04996	1.3
95.08591	4.6
96.01076	0.8
97.02898	6.7
98.22715	1.6
98.71980	0.7
99.04454	1.1
101.02406	2.4
105.07034	5.4
107.08596	5.2
109.02837	0.9
109.10181	2.6
115.21471	0.6
117.06999	1.5
119.08576	4.8
121.10191	2.4
126.94713	0.6
127.03952	2.0
129.07097	0.9
131.08603	2.0
133.10167	2.2
135.11746	2.0
145.10199	1.9
147.11682	1.4
149.09634	0.6
152.26881	0.7
157.10190	0.9
161.13287	0.9
171.11823	1.0
174.44392	0.7
185.04305	1.3
202.23349	0.7
243.08421	5.2
259.20865	0.7
272.40683	0.7
279.07553	0.7
301.08997	0.8
313.09332	0.6
315.19479	0.9
327.29208	0.6
333.20517	1.4
358.98398	0.6
519.29065	4.4
535.28778	4.9
551.28448	4.6
607.30487	1.0
829.50653	100.0
830.50574	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	830.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61291	0.4
73.40508	0.5
74.62714	0.4
77.03928	1.3
79.05492	2.2
81.03413	2.2
85.02902	1.0
91.04943	0.7
91.05482	8.8
93.07041	29.6
95.04971	5.9
97.02861	0.5
97.06490	0.4
98.23520	1.1
103.05455	0.8
105.04507	1.8
107.04977	2.2
109.06497	0.5
111.08060	0.7
121.06499	24.2
123.04430	0.6
131.04901	1.6
136.52522	0.5
137.05968	1.1
139.07529	2.6
149.05971	44.7
150.06274	1.0
155.92973	0.5
167.07028	100.0
168.07388	3.0
184.07063	0.4
209.08025	1.7
213.58522	0.5
235.94933	0.6
325.10684	1.5
329.08640	0.8
329.12341	12.0
355.11597	0.6
432.43713	0.6
490.16562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.1
67.05498	2.8
69.03423	4.2
69.07071	1.7
71.04981	1.1
72.08144	0.6
77.03912	0.7
79.05483	7.0
81.03401	1.1
81.07057	1.6
83.04974	2.9
85.02885	1.7
85.06554	1.3
87.00835	0.8
89.03915	0.6
91.05475	21.2
93.03391	2.1
93.07026	5.1
95.04972	3.4
95.08588	2.6
97.02889	38.6
97.06535	2.8
99.08087	0.6
103.05483	1.2
105.07027	13.9
107.04929	1.0
107.08589	26.9
109.02872	0.8
109.06508	1.5
109.10149	2.0
111.04417	0.9
111.08082	0.7
111.23428	0.5
115.05469	1.9
117.03384	0.5
117.07005	3.4
118.67548	0.6
119.04938	20.0
119.08587	4.4
121.02892	1.0
121.06473	0.7
121.10144	6.0
123.04435	0.7
123.08076	2.4
123.11713	0.9
127.03906	1.5
127.50767	0.5
128.06183	0.6
129.07022	0.9
131.04874	0.8
131.08563	14.0
132.02055	1.0
133.10123	100.0
134.10475	1.3
135.08046	46.9
135.11678	2.1
136.08357	0.9
137.09630	1.0
141.06999	0.9
143.08627	2.5
143.09593	0.6
144.05666	1.0
144.09367	0.7
145.02849	0.8
145.06438	0.9
145.10143	3.7
147.04395	17.3
147.11655	3.4
148.04752	0.8
149.02332	3.1
149.09613	1.9
149.13232	5.1
153.09125	0.8
154.06334	0.6
155.05063	0.5
157.03951	1.6
158.10902	4.2
159.08087	1.3
163.03899	3.7
163.11214	0.7
163.14816	1.2
164.04518	0.5
167.03391	15.7
169.06427	1.1
173.13254	27.5
174.13602	1.1
175.03902	33.0
175.14830	2.5
176.04208	0.9
177.05446	1.4
179.07063	1.5
181.04909	1.4
187.07536	2.2
191.14301	60.6
192.14648	1.5
197.06021	0.9
207.06511	64.7
208.06850	0.9
215.07028	1.0
218.09370	0.9
219.06476	1.8
219.10048	1.1
229.08562	2.0
243.06395	0.8
244.07196	0.5
247.09657	1.1
257.08066	1.2
275.09085	4.9
303.08682	2.4
321.09647	10.4
326.17056	1.2
339.10898	3.8
411.10757	0.7
455.11429	0.8
481.56918	0.6
587.16156	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	830.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04965	0.7
61.02920	0.7
65.03931	4.9
67.05504	6.4
68.82937	0.6
69.03433	3.9
69.07059	1.5
71.05003	0.6
73.02892	0.7
77.03916	0.9
79.05505	2.6
81.03416	0.9
81.07057	6.3
83.04980	4.5
83.08621	4.1
85.02898	2.4
85.06509	2.7
87.00839	0.9
87.04457	2.0
91.05480	16.7
91.06052	0.9
93.03397	3.5
93.07054	3.4
95.04954	4.6
95.08607	3.2
97.02890	49.1
97.06499	1.1
98.03213	0.9
99.04483	0.8
105.07024	6.0
107.08590	9.0
109.02879	1.2
109.06527	3.9
109.10157	13.5
109.39179	0.5
110.10451	0.6
111.04423	1.7
111.08060	0.9
113.05955	0.8
116.73457	0.5
117.07014	0.7
119.04940	24.6
119.08553	2.6
120.35662	0.5
121.02872	1.3
121.10148	7.8
123.04400	1.2
123.08064	2.7
123.11683	3.5
125.09589	1.1
127.03934	0.8
129.05449	0.7
129.07037	0.7
131.08566	4.6
133.10126	17.8
135.08054	1.5
135.11638	0.8
136.06152	0.9
137.06007	0.6
137.13281	0.6
139.03918	0.7
139.05502	0.5
140.04646	0.8
141.06985	1.3
143.08537	1.1
144.05692	2.2
145.02866	0.6
145.06494	0.6
145.10103	2.0
147.04401	23.6
147.11681	2.2
149.02345	4.8
149.13229	4.4
151.11166	7.4
153.09109	1.9
154.06247	1.2
155.07043	2.1
157.04007	2.8
158.10883	1.2
159.08041	2.0
163.03772	0.7
163.14783	1.7
165.12735	4.5
167.03391	27.7
167.07063	0.8
167.14319	5.5
169.06473	2.0
173.13243	9.2
175.03902	41.6
176.04398	0.8
177.05475	0.9
179.07022	1.7
179.08513	0.6
181.04961	2.5
187.07565	3.7
188.07968	0.6
191.14323	8.0
197.05948	1.2
207.06514	100.0
208.06894	1.6
209.15364	36.3
210.15717	0.8
215.07021	1.5
218.09396	0.8
219.06558	2.1
219.10104	2.8
229.08441	2.9
243.06662	1.0
247.09674	2.7
257.08044	2.2
275.09125	10.7
303.08597	3.7
321.09659	18.0
339.10748	4.9
355.10104	0.6
371.71774	0.6
377.78854	0.5
378.64908	0.6
444.63669	0.6
587.16083	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	830.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62842	0.7
61.02932	3.8
65.03937	1.7
67.05506	6.8
69.03429	4.4
69.07056	1.1
69.82739	1.3
69.83096	1.7
70.06590	1.7
71.04967	1.0
73.02914	4.8
79.05511	3.8
81.03410	1.8
81.07063	6.2
85.02901	3.6
87.04466	22.1
88.80633	0.6
91.03963	1.4
91.05483	5.7
92.05000	7.7
93.05819	1.6
93.07047	4.0
94.06590	1.1
95.04968	1.6
95.08606	3.7
97.02907	3.1
98.22723	1.3
99.04454	0.8
99.66722	0.7
101.02351	1.1
105.07040	1.5
106.06541	3.5
107.08604	1.7
109.06475	0.7
109.10181	1.5
114.37481	0.8
117.05778	3.0
118.06536	28.4
119.07333	2.2
119.08576	1.1
120.08164	1.2
121.10194	1.8
127.03944	0.9
130.06578	2.7
131.08589	1.2
132.08104	4.0
133.10210	1.0
134.09698	1.0
146.09695	1.4
202.15906	8.5
204.10228	1.5
230.15384	86.7
231.15846	2.8
248.16481	9.0
296.08704	0.8
304.19122	9.3
316.19281	2.3
322.20160	4.5
334.20114	16.9
335.20917	0.8
335.25897	1.8
421.64380	0.8
564.40393	1.4
582.41650	2.4
652.10504	0.9
668.44965	6.0
812.51520	1.0
830.50464	100.0
831.50861	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	830.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05032	0.6
70.06586	100.0
71.06930	0.9
72.08155	2.8
82.06586	0.5
84.08123	0.6
85.07664	0.5
86.09709	4.7
90.11486	0.4
95.06091	0.5
97.07639	0.6
98.06041	0.7
99.09232	0.6
112.08723	7.6
113.07137	5.4
115.08690	5.2
124.08691	0.7
125.07143	0.6
126.05540	0.7
127.08665	8.2
137.07098	0.9
138.12776	1.2
140.07143	0.5
140.08110	0.7
149.10716	0.6
151.12358	0.5
152.08179	2.3
155.08136	5.0
164.11832	0.5
167.11795	0.5
169.13347	19.8
170.13716	0.6
172.10771	0.8
176.11890	0.8
181.13425	0.5
183.14899	9.3
183.16385	0.6
185.10387	1.1
185.16457	0.6
191.12959	0.4
192.11305	2.9
194.12900	0.9
195.11270	2.6
195.14948	1.1
197.10400	1.3
197.12831	11.1
198.13210	0.5
200.88661	0.4
208.14537	0.9
209.14037	1.1
211.14384	8.0
212.13885	3.1
220.36624	0.4
223.14322	0.6
234.12444	0.8
237.13435	12.8
237.19812	0.4
249.13486	0.9
251.14857	0.5
254.15610	0.7
265.13010	0.4
266.16107	1.9
268.16583	0.7
269.16098	0.9
276.14539	0.5
294.15567	5.4
294.18469	0.6
308.19516	2.2
310.21243	2.0
311.18253	0.7
322.22070	0.5
334.18707	0.6
362.21976	1.9
367.23480	1.1
389.23193	0.5
391.20865	0.8
407.25742	0.5
419.27795	0.5
447.27148	0.7
476.29959	0.6
504.29535	0.8
530.36169	0.5
573.93207	0.5
802.53485	0.6
813.49127	0.8
830.52332	60.0
831.52765	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	831.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	1.1
70.06589	47.4
72.08152	8.2
76.41289	0.6
81.04527	1.6
81.70323	0.5
83.06101	7.0
84.08117	1.2
86.09702	17.4
93.04517	5.6
95.06084	7.5
98.09689	0.6
98.22618	1.3
110.07161	100.0
111.07543	1.0
115.08698	0.6
119.59502	0.5
121.03996	1.6
122.07179	0.8
123.05538	1.2
125.06996	0.6
136.08716	1.5
138.06635	5.9
157.09714	5.2
159.07695	1.0
162.10207	3.0
164.11821	1.7
166.06145	6.5
167.08153	2.0
169.13353	26.1
171.96735	0.6
178.13388	25.2
179.13705	0.8
185.09196	3.5
185.12808	1.2
190.13359	0.8
192.11368	0.9
195.07722	1.2
197.12845	22.6
199.18083	1.6
206.12886	2.9
211.14476	1.0
223.15535	25.6
229.37566	0.8
233.14027	1.9
234.12318	5.0
235.11960	1.6
238.11902	3.1
251.15031	20.4
256.13010	1.2
259.15643	1.6
266.15091	2.5
272.16187	1.4
279.14691	1.0
284.16043	3.4
286.16669	1.3
291.21829	0.8
304.17676	9.2
307.53299	0.6
310.21173	7.0
322.18842	1.7
327.20459	1.4
346.22385	2.1
355.19803	2.1
364.23343	5.1
369.25122	1.0
391.20990	2.5
392.22574	0.8
395.30243	1.3
397.24545	2.2
409.21835	4.3
423.29883	1.3
468.28345	2.7
477.32068	0.9
504.29294	1.3
510.32910	0.8
522.30658	1.4
532.36334	1.4
553.36499	0.7
553.44678	0.7
560.35706	3.2
581.36951	3.4
605.34796	1.0
647.38300	0.8
673.43707	2.5
690.43048	2.2
694.45435	1.0
700.40637	0.8
718.42346	12.2
719.42920	0.9
744.47931	1.7
760.47559	1.1
776.43329	0.7
803.51465	5.0
804.52576	0.7
813.49725	5.1
831.50800	39.8
832.50629	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	832.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81014	0.2
59.04995	0.7
60.58558	0.2
61.02924	0.4
61.97935	0.2
69.03425	2.0
69.19800	1.3
71.01344	0.7
71.04592	0.2
71.04990	7.1
73.02905	1.0
75.04478	0.7
81.03402	1.0
83.04979	3.2
85.02901	13.2
87.04465	0.7
89.03912	2.3
89.06044	0.2
91.05460	0.3
93.07047	0.2
95.04965	0.4
97.02884	3.5
99.04457	2.8
101.02392	0.4
103.03931	0.8
108.29008	0.2
109.02888	0.6
111.04430	2.3
113.02364	1.2
115.03913	0.3
117.03367	6.8
117.05489	0.3
121.73672	0.2
125.06042	0.2
127.03911	1.8
129.05461	2.9
131.03412	2.0
134.03627	0.4
135.04395	0.6
137.05934	0.4
139.03931	0.4
145.02837	32.0
146.03201	0.4
147.06531	1.7
149.05945	3.4
151.07516	0.9
157.04927	0.8
163.03923	0.9
175.06010	0.5
176.36261	0.2
177.05457	100.0
178.05782	1.9
179.07030	0.7
181.08568	0.5
186.05476	0.4
193.08684	0.2
195.06522	1.8
213.07497	0.6
217.08601	0.2
235.09715	0.3
241.06938	0.2
259.07883	0.4
261.11121	0.2
273.09634	0.4
279.08533	0.2
287.09094	0.3
305.10123	0.7
311.36743	0.2
321.09525	0.9
323.11215	1.1
339.10724	24.7
340.10999	0.7
367.10138	0.3
453.13766	0.3
485.16196	0.3
494.41122	0.2
696.81439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.8
63.02359	0.3
67.05476	0.2
69.03422	2.5
69.19576	1.2
69.23103	0.2
71.01346	0.5
71.04990	7.9
73.02918	1.2
75.04463	0.5
81.03420	1.2
81.03828	0.3
81.79589	0.2
83.04975	2.7
85.02900	10.6
89.03908	3.8
91.03929	0.3
91.05508	0.2
93.87146	0.2
95.04955	0.7
96.91000	0.2
97.02891	4.4
99.04467	0.8
101.02385	0.5
106.04134	0.2
109.02870	0.5
111.04424	1.8
113.05975	0.3
115.03902	0.6
117.03366	10.6
121.06470	0.2
127.03901	1.0
129.05460	2.9
134.03572	0.5
135.04419	2.3
137.06041	0.3
145.02835	38.2
146.03181	0.6
147.06516	1.6
149.05963	3.4
151.07588	0.6
162.03148	0.2
163.03893	19.7
164.04205	0.4
177.05452	100.0
178.05795	1.9
179.07040	0.3
181.04871	0.2
186.05470	0.4
195.06479	1.5
215.05457	0.4
223.14008	0.2
228.49474	0.2
229.07074	1.2
247.07971	1.3
255.08632	0.3
261.11234	0.4
277.10687	0.4
305.10153	0.3
309.62958	0.2
321.09622	0.7
323.11304	1.1
325.09082	4.0
339.10724	29.7
340.11060	0.8
421.73767	0.3
450.63708	0.2
485.16254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	100.0
71.06926	0.9
86.09699	4.0
96.08122	4.0
98.06046	30.8
98.22598	1.0
99.06390	0.5
103.05454	0.5
112.11222	0.7
115.08714	0.5
120.08093	30.4
123.09210	0.5
126.05500	24.5
138.12766	10.3
141.10202	8.2
141.11224	0.6
151.12306	1.7
165.10281	0.7
167.11798	8.8
169.09721	6.4
172.11266	0.6
177.13902	0.8
179.11906	1.0
180.26363	0.4
180.88240	0.4
183.14954	0.7
193.12129	0.7
195.11278	14.4
196.13466	0.6
199.18080	0.7
209.16499	1.5
211.14458	1.1
212.13994	0.8
217.11241	1.0
217.13339	19.7
218.13663	0.6
219.18533	0.5
233.16615	1.6
243.14967	0.6
245.12837	13.6
245.15230	0.8
266.15033	1.2
307.20337	0.8
309.19397	0.9
314.18646	2.4
315.86469	0.5
330.21863	1.8
341.19278	0.6
342.18066	10.2
343.18628	0.6
358.21106	4.0
359.21109	0.6
363.20374	1.0
411.23785	3.7
427.26880	6.3
427.31583	0.6
428.27155	0.8
431.70621	0.5
439.23447	7.1
440.23224	0.5
443.29721	0.6
453.28976	0.6
455.26450	6.9
456.26517	0.9
466.13171	0.5
471.29428	0.7
513.45880	0.5
524.32104	2.4
540.35498	1.4
552.31793	5.2
568.34839	4.8
607.32208	1.2
637.40558	4.1
639.38727	0.5
665.40143	30.3
666.40393	2.9
720.40765	3.9
736.44104	1.8
805.49420	4.5
806.51135	0.8
833.48987	21.7
834.49261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.8
65.03928	0.8
67.05492	0.6
69.03419	1.2
69.71333	0.3
69.71679	0.2
71.04972	0.2
73.02908	0.6
77.03929	0.2
81.03424	0.6
85.02898	4.1
91.03967	1.0
93.03376	0.3
95.04950	0.6
97.02884	1.4
99.04433	0.5
105.04510	0.2
108.02085	0.8
109.02859	1.1
111.04458	0.7
119.94141	0.1
120.42767	0.1
125.05981	0.4
127.03889	2.7
136.01546	0.3
141.05450	1.0
145.04941	1.9
151.03891	100.0
151.04906	5.1
152.04221	1.8
152.05348	0.1
163.06007	2.3
169.04933	1.0
174.63385	0.1
180.08678	0.2
204.76225	0.1
209.36880	0.1
253.07025	0.2
289.09039	0.1
295.08096	0.5
313.09134	39.5
314.09442	1.2
325.11200	0.5
475.14636	0.8
555.48077	0.1
826.79865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.0
63.02365	0.3
69.03426	3.4
70.94177	0.3
71.01344	0.7
71.04992	3.5
73.02915	5.7
73.86449	0.1
75.04478	0.3
77.03889	0.2
79.05477	0.3
81.03410	0.7
83.04980	2.5
85.02904	8.0
86.77809	0.2
87.04475	0.4
89.03904	2.3
92.95285	0.2
95.04990	0.3
97.02886	5.1
98.03213	0.2
99.04443	0.5
103.03917	0.2
105.03361	0.3
107.04919	1.0
109.02893	0.3
109.06525	0.2
111.04438	1.9
114.38204	0.2
115.03926	1.8
117.03365	3.3
123.04434	1.6
127.03899	0.5
129.05470	2.0
133.02852	0.9
133.04955	0.9
135.04407	8.5
137.05946	1.2
139.03865	0.5
145.02841	8.0
145.21037	0.2
147.06514	1.0
151.03899	1.6
152.04689	0.2
153.05481	3.0
153.20700	0.2
161.05951	0.3
163.03894	100.0
164.04202	1.8
165.05490	1.2
167.03395	0.2
167.07025	0.7
169.04958	0.3
173.06012	0.2
175.03880	0.3
177.05507	0.8
181.04947	1.8
183.06528	2.6
184.06790	0.3
186.05438	0.2
193.04959	0.2
195.06508	0.2
204.62654	0.2
207.06549	1.4
219.06517	0.4
221.08191	0.2
223.05917	0.2
225.07564	0.7
231.06451	0.3
233.12796	0.4
243.08609	0.4
249.07545	0.4
261.09775	0.4
265.07150	0.2
273.07516	0.3
275.09265	0.3
291.08478	0.5
293.10199	0.8
295.08081	0.6
307.08002	1.1
307.55896	0.2
309.09521	0.9
311.11209	0.8
325.09155	19.6
326.09515	0.7
435.12830	0.2
471.14017	0.2
489.13708	1.1
805.91168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.8
62.06079	0.2
63.02356	0.3
69.03423	2.7
71.01360	0.6
71.04989	3.8
73.02544	0.3
73.02915	4.9
75.04391	0.2
79.05483	0.5
81.03412	0.7
83.04982	2.5
85.02899	7.2
87.04456	0.7
89.03909	2.3
90.63543	0.2
95.04962	0.6
97.02888	5.2
98.23620	0.4
99.04420	0.8
107.04940	1.2
109.02890	0.6
109.06516	0.3
111.04426	1.6
115.03912	1.7
117.03371	2.8
123.04412	2.3
125.05982	0.4
127.03899	0.8
129.05473	2.2
133.02843	1.0
133.04932	0.9
135.04408	8.6
136.04735	0.3
137.05989	1.2
145.02834	8.4
147.06525	1.0
151.03886	1.6
153.05453	4.8
154.05817	0.4
161.05978	0.4
163.03886	100.0
164.04218	1.9
165.05461	1.2
166.25101	0.2
167.03416	0.3
167.07004	0.8
171.06401	0.3
175.03839	0.5
177.05432	0.8
181.04932	2.1
183.06516	3.7
184.06841	0.3
193.04962	1.1
195.06522	0.3
199.05983	0.3
207.06425	1.5
215.09048	0.4
219.06476	0.3
225.07521	0.7
231.06465	0.3
233.12865	0.8
249.07574	0.5
261.09744	0.4
265.93192	0.3
291.08511	0.4
293.10052	0.7
295.04489	0.2
295.07837	0.5
307.07944	0.6
309.09521	0.8
311.11124	0.5
325.09143	20.1
326.09421	0.7
339.10547	0.3
347.13458	0.2
489.13849	0.9
831.52765	0.2
835.58667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65325	3.5
59.66918	2.8
63.92721	2.6
65.98110	2.6
67.05505	22.2
67.72195	3.1
67.82564	3.1
69.03440	6.2
69.07059	10.9
70.06595	4.4
70.50328	4.9
71.04989	4.3
79.05495	4.5
81.03406	29.8
81.07053	6.7
83.04990	4.0
83.08603	3.4
85.02904	6.2
91.05482	4.4
93.07018	12.0
95.04964	39.2
95.08608	11.5
97.02898	5.0
97.06509	16.0
99.04424	4.9
105.07040	11.4
107.08570	21.1
109.02907	5.2
109.06523	7.4
109.10149	22.7
112.88285	3.6
118.65928	2.9
119.08570	9.9
121.06515	8.6
121.10146	10.8
123.04429	12.7
123.05304	3.1
123.08063	28.2
123.11687	10.3
125.09605	7.8
127.03926	4.8
131.08553	17.3
133.06467	5.0
133.10120	18.7
135.08020	14.3
135.11678	11.0
137.05966	22.2
142.07744	3.5
143.08598	4.4
145.06499	6.6
145.10110	6.3
147.08023	3.4
147.11691	5.2
149.13179	3.9
151.07555	3.8
151.11134	17.2
153.12749	4.6
157.10129	6.6
158.10915	5.8
159.08041	4.3
159.11636	7.6
161.09596	10.0
163.03911	4.8
163.07507	6.5
163.11153	4.8
163.14793	6.3
170.10738	3.2
171.11664	8.0
173.09589	5.2
173.13237	26.2
175.03862	2.8
175.07571	3.7
175.11157	8.0
176.11986	3.2
179.06876	3.7
179.10605	23.5
182.12756	3.0
183.11725	3.5
185.09595	4.6
185.13217	5.7
187.11234	5.6
189.09061	6.8
189.12733	5.6
189.33263	3.6
191.14288	92.4
197.09576	3.7
199.11194	5.1
201.12808	4.5
205.12276	4.8
209.15335	45.8
211.11179	4.1
213.12755	6.1
215.14276	3.9
217.12178	5.7
219.13789	12.9
229.12305	4.2
235.13086	3.1
241.15912	4.1
245.15425	4.9
251.14203	3.9
253.15865	5.6
255.13901	4.6
257.15347	3.7
269.15347	3.0
271.16541	4.0
285.18488	4.4
295.16858	7.0
313.17947	84.3
314.18304	3.3
331.18982	100.0
332.19513	5.9
349.20087	64.2
350.20428	3.2
373.20059	9.9
391.21008	45.1
392.21344	6.2
408.23853	34.4
409.22174	15.5
410.23376	3.9
426.24863	38.4
834.29932	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	834.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	23.9
69.07062	11.5
69.15439	65.8
71.08643	18.2
79.05493	19.6
81.07058	32.4
91.05502	13.5
93.07050	17.4
95.08607	46.1
96.26888	10.2
98.23425	26.4
104.78600	9.6
107.08638	16.3
109.10146	14.1
126.57386	10.3
127.30840	11.7
128.63274	11.5
131.08517	9.7
133.91907	10.5
135.11807	12.1
148.83104	10.1
261.22165	37.7
292.12665	11.5
303.47601	9.9
313.27325	100.0
335.25824	83.6
561.27130	21.5
573.48590	39.3
591.49561	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	835.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54373	0.4
71.42375	0.4
78.46377	0.4
84.04436	0.4
94.99818	0.7
101.00852	2.2
110.94247	0.4
113.00854	0.8
119.01894	4.6
121.62478	0.3
127.02365	1.4
131.01912	2.3
131.31723	0.3
133.03400	0.5
137.02890	0.5
139.02362	0.3
143.00780	0.6
143.01881	11.4
145.03423	5.8
147.01347	0.6
147.07585	0.5
155.01869	25.8
156.01935	1.0
157.03452	4.2
161.02945	9.9
162.03009	0.6
163.04430	0.4
164.02405	0.5
165.75186	0.5
167.01851	2.4
169.03461	6.3
171.01318	0.8
171.04956	0.9
173.02945	31.2
174.03067	0.9
175.04475	1.4
179.01796	1.0
181.03377	0.9
183.04991	0.9
185.02942	16.3
186.03021	0.8
187.04453	5.4
193.03534	0.6
197.02917	6.2
199.04425	1.4
203.03984	11.2
209.02919	1.9
211.04446	1.3
213.05980	0.6
215.04004	6.9
217.05510	0.7
221.02998	0.6
221.05019	0.7
223.04437	0.8
224.04509	0.5
227.04028	3.3
229.05484	1.2
233.04890	0.5
239.03990	1.5
245.05046	23.9
246.05191	1.2
257.05072	7.4
263.06137	5.2
269.05115	1.2
275.06100	2.6
287.06107	5.1
288.06244	0.4
289.07617	0.5
293.07040	2.8
299.05786	0.5
305.07156	10.0
306.07285	0.7
317.07056	2.0
323.08170	1.5
329.07132	1.3
335.08090	0.9
347.08179	40.7
348.08365	2.2
365.09253	22.3
366.09460	1.3
377.09329	0.5
383.10095	0.6
388.10837	0.5
407.10300	100.0
408.10501	6.0
425.11276	1.1
437.11334	6.7
438.11227	0.6
467.12430	72.9
467.62421	0.9
468.12695	5.0
485.13556	0.6
509.13751	1.0
527.14410	2.7
569.14850	0.5
628.33820	0.4
705.19037	0.4
782.77435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80278	0.4
70.47859	0.3
70.68731	0.5
70.69059	0.5
73.97120	0.3
91.05466	0.4
121.06464	1.7
125.21181	0.4
149.05954	4.3
171.04152	1.5
185.04221	3.3
189.05219	5.2
201.03697	1.7
203.05251	27.9
204.05597	0.5
207.06210	0.4
304.43591	0.4
323.11053	1.8
351.10483	31.1
352.10883	0.9
369.11548	35.8
370.11859	0.9
409.93436	0.4
413.17200	0.4
429.13660	100.0
430.14020	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	835.302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21721	0.7
67.05479	0.8
69.03407	2.1
69.36185	2.9
70.06583	3.4
79.05482	1.3
81.03412	2.9
81.07055	2.1
85.02908	4.1
87.00842	1.3
91.05471	1.6
93.07059	1.1
94.06560	0.9
95.08611	1.6
97.02909	3.9
97.03413	0.7
99.04464	1.0
105.01864	2.1
105.07050	1.6
108.08123	1.8
108.53127	0.7
109.02894	2.9
109.10172	1.8
111.04382	1.1
119.08582	0.9
122.06059	3.7
123.11679	1.3
124.74514	0.8
127.03920	4.1
133.10213	0.9
136.07578	1.0
137.05963	2.5
145.02834	1.4
145.04948	1.6
145.10197	1.1
146.06082	1.5
147.04419	1.0
147.11710	1.2
148.07590	2.5
161.13292	1.3
163.03880	8.6
164.07155	0.8
166.08643	2.7
167.07028	5.5
168.07320	0.9
175.14772	1.1
201.16512	0.9
204.06509	1.0
208.32942	0.7
211.12288	0.8
213.03966	1.1
215.11937	0.8
221.10742	1.1
222.11353	1.1
223.08728	1.1
223.12335	1.7
224.13081	1.3
225.10263	2.1
235.08734	2.2
236.09486	2.9
237.10275	2.9
237.13928	2.0
238.10979	4.1
239.11752	4.9
240.12610	1.2
243.11194	1.2
248.10768	0.9
249.10153	4.8
250.10927	7.3
251.08305	2.1
251.11769	20.0
252.12460	4.6
253.13525	2.0
257.22748	2.4
258.23041	2.2
263.11819	3.5
264.12497	1.8
265.09921	2.4
265.13318	26.8
266.10562	3.0
266.13843	2.2
267.11404	1.7
267.15048	2.6
269.12958	1.2
275.11942	1.7
277.09766	1.3
278.10745	1.9
279.11301	7.5
281.12851	1.7
282.09689	1.0
283.10739	1.2
283.15048	1.4
284.93073	0.8
285.12192	1.6
291.11237	1.0
293.12857	10.8
295.10870	1.3
295.14481	2.3
296.11557	1.8
297.12347	1.5
303.23260	1.0
304.23358	1.2
309.12149	3.8
311.13885	22.0
312.14380	1.1
313.15515	3.5
317.14972	1.9
321.12366	6.5
324.11374	1.1
337.11813	1.4
339.13370	16.8
340.13950	0.8
353.14978	1.5
357.14496	1.4
369.14648	3.0
370.15610	0.8
371.15982	19.4
372.16394	1.4
411.15417	6.3
412.12686	0.9
425.13449	1.9
427.14963	15.8
428.15469	2.2
432.18912	1.3
437.13412	2.8
453.12778	4.3
454.13574	1.0
455.14490	48.1
456.14856	2.6
460.18640	0.8
473.15634	1.5
485.15369	6.9
487.17072	100.0
488.17508	5.1
532.20703	4.7
548.20911	1.4
576.19885	8.6
580.22351	0.9
608.22437	13.7
609.22131	1.9
638.23480	1.9
680.20325	1.3
682.22272	8.3
714.24951	1.4
803.27515	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	835.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	4.5
69.03420	2.8
69.19669	3.4
70.06584	1.1
79.05501	0.7
81.03426	3.7
81.07086	0.5
85.02901	5.9
87.00829	2.7
91.05482	1.1
93.07053	1.1
94.06558	4.3
95.08606	0.7
97.02901	3.6
99.04388	0.7
103.05495	0.9
105.01849	1.9
105.07088	0.7
107.15895	0.5
108.08121	1.7
109.02885	2.3
116.05051	0.6
120.04447	1.2
120.08099	1.2
122.03665	1.3
122.06025	9.5
124.20287	0.6
127.03902	4.6
128.04230	0.6
131.04936	1.4
133.06497	1.0
134.06012	2.9
136.07571	4.1
137.05962	35.7
138.06317	7.0
143.08522	0.7
145.04953	2.0
146.06064	1.5
148.07568	4.6
151.07576	0.6
159.02893	1.2
160.03206	0.6
160.05251	0.7
163.03899	0.9
163.07533	3.5
164.07074	2.5
165.09128	1.0
166.08653	2.6
175.07552	2.1
176.07927	0.8
177.05626	0.8
181.08676	2.7
191.14438	0.6
204.06421	0.9
205.08670	1.3
209.10646	0.8
211.08714	1.2
211.12210	0.6
213.10303	0.8
217.08582	0.7
221.10706	1.4
222.09409	0.7
222.11526	2.1
223.08629	7.2
223.12115	2.8
224.10855	0.6
224.13026	1.0
225.10202	14.8
225.13725	1.2
226.10684	0.6
227.11949	1.1
231.05040	1.1
234.11546	0.7
235.08527	4.4
235.12276	2.0
236.09343	3.3
236.13020	1.0
237.10208	7.5
237.13831	4.4
238.10997	6.6
239.11726	6.5
239.15442	0.7
240.12567	1.7
241.09727	1.0
247.12302	1.3
248.09166	1.4
248.10736	1.8
248.13054	1.0
249.10170	8.4
249.13945	0.8
250.10960	11.5
251.08191	5.8
251.11816	28.9
252.12482	6.1
253.13219	2.6
255.11272	0.7
262.11072	1.0
263.07840	0.7
263.11771	16.9
264.09213	1.2
264.12570	9.1
265.09866	6.7
265.13397	38.7
266.10654	3.4
266.13773	3.5
267.11365	2.4
267.14807	2.9
269.13007	0.8
275.11682	1.5
276.10205	1.7
276.12827	0.7
277.09769	3.1
277.13290	1.2
278.10324	5.2
279.11246	12.1
280.11838	1.3
281.09726	0.8
281.12866	3.4
282.09750	2.0
282.13254	0.6
283.10748	8.6
283.13943	1.0
285.12131	0.7
291.11292	5.6
292.12045	1.8
293.09491	1.1
293.12790	15.0
293.15851	1.0
294.11023	0.9
294.13837	1.0
295.10797	2.0
295.14435	2.0
296.11551	5.2
297.12286	5.5
298.13049	3.0
299.13943	0.9
305.09149	1.2
305.12857	0.6
309.12296	20.4
310.13028	2.9
311.13840	34.9
312.14642	2.9
313.15564	0.9
319.10767	2.0
320.11563	1.4
321.12317	4.7
323.13736	1.0
324.11111	0.6
337.11789	5.0
338.12537	5.5
339.13318	9.5
340.13931	0.8
344.14020	1.4
353.14868	2.0
356.13922	0.9
357.14621	1.9
358.15491	1.3
359.16299	1.2
360.17007	0.8
369.14383	15.1
370.15143	1.8
371.15961	25.6
372.16553	2.3
386.18646	1.8
387.15878	0.7
399.15482	0.7
404.19321	0.8
409.13885	1.0
410.14645	1.7
412.12558	2.7
413.13071	0.8
414.18033	3.9
416.19672	1.9
419.18320	0.9
425.13364	11.4
426.14011	3.0
427.14975	17.0
428.15121	0.9
432.19174	10.4
434.14914	0.9
434.20563	4.8
436.12570	2.3
437.13510	1.8
440.12659	0.9
442.17908	1.5
453.12787	6.1
454.13690	2.0
455.14426	12.8
456.14969	0.8
460.18536	7.8
473.15585	1.4
474.20184	1.0
478.19626	4.3
485.10071	0.5
485.15512	24.7
486.16309	3.5
487.17062	40.3
488.17740	2.0
492.21143	1.6
530.19293	3.2
532.20721	10.7
533.21112	1.1
548.20117	6.3
558.18915	2.3
576.19702	67.7
577.20135	4.3
594.20862	1.3
608.22321	100.0
609.22552	5.0
654.22583	1.5
682.22443	6.2
683.23254	1.0
803.27625	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	835.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54144	0.4
67.05170	0.3
67.05485	2.1
70.06582	1.4
79.05493	0.7
85.02886	0.5
86.04283	0.4
90.47885	0.3
91.05508	0.3
93.06995	0.4
94.06571	2.2
101.94841	0.4
120.04472	0.5
122.06021	6.2
124.07661	0.4
124.17091	0.4
130.53271	0.4
134.06042	1.1
136.07553	2.6
146.05975	0.8
148.07594	1.4
163.03926	0.6
164.07050	0.9
166.08662	0.7
181.04836	0.3
201.35255	0.4
208.07794	0.4
208.09824	0.3
209.10764	0.4
211.08679	0.7
211.12473	0.4
211.83452	0.4
213.10378	0.5
222.11360	0.9
223.08656	4.2
223.12251	1.2
224.09203	0.4
224.13004	0.8
225.10220	9.5
225.13814	0.8
226.07120	0.3
227.11841	0.7
228.95781	0.4
233.10944	0.4
234.11635	0.5
235.08597	2.0
235.12288	0.7
236.09543	1.3
237.10202	4.3
237.13901	2.5
238.10985	2.9
239.11787	3.8
239.15541	0.5
240.12494	0.3
241.09712	0.4
248.10767	1.2
248.13104	0.5
249.10202	4.5
250.10956	6.0
251.08113	2.5
251.11783	18.3
252.12471	2.8
253.09555	0.5
253.13414	1.3
262.11047	0.6
263.08008	0.5
263.08505	0.5
263.11755	7.7
264.12601	2.3
265.09814	2.2
265.13327	21.1
266.10556	0.9
266.14050	2.4
267.11530	0.8
267.14984	1.6
269.12866	0.4
269.79196	0.4
275.11603	0.4
276.10037	0.9
277.09821	1.0
278.10431	3.1
279.11252	6.9
280.11880	0.7
281.12845	2.1
282.09875	0.9
283.10785	4.7
283.13904	0.6
284.11301	0.6
291.11218	2.5
292.12073	0.5
293.12759	7.0
295.11005	0.6
295.14462	0.8
296.11505	4.1
297.12354	3.1
298.13058	1.6
309.12296	10.1
310.13068	1.4
311.13861	20.8
312.14484	1.6
313.15250	0.5
319.10730	1.2
321.12436	1.0
323.14032	0.5
330.15878	0.4
337.11807	2.2
338.12717	0.9
339.13284	2.8
344.14075	0.9
344.17746	0.5
353.14993	0.8
357.14496	0.5
358.15250	0.4
360.17038	0.6
369.14417	9.6
370.15143	2.3
371.15961	17.6
372.16818	1.1
400.16229	0.4
409.14297	0.6
410.14743	0.5
412.12692	1.8
413.13611	0.7
414.18201	1.5
416.19641	0.9
425.13452	6.3
426.14157	1.0
427.14975	11.0
432.19177	3.7
434.20865	1.8
441.12875	0.4
442.17657	1.3
453.13046	3.1
454.13950	0.4
455.14352	3.6
460.18842	1.5
469.16431	0.5
474.20273	2.0
478.19785	1.4
478.90909	0.4
485.15466	17.1
486.16116	2.5
487.17062	32.1
488.17737	1.9
492.21237	1.4
530.19098	1.3
532.20648	5.1
548.20496	2.6
558.18304	0.6
576.19751	8.6
580.22327	0.7
590.21075	0.6
608.22327	100.0
609.22705	7.7
682.21838	1.4
701.28015	0.4
713.23792	0.8
714.24597	0.6
803.27521	1.0
835.30609	1.1
850.56085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	0.4
60.73577	0.3
61.02940	0.3
63.02382	0.3
65.03932	2.1
67.05506	1.5
67.73253	0.3
68.99786	1.0
69.03427	3.4
70.56487	0.4
71.01353	0.7
71.04982	1.6
73.02908	3.4
76.20747	0.3
79.05493	0.9
81.03419	1.6
82.04193	0.6
83.04971	2.9
85.02909	4.5
89.03915	2.3
93.03413	1.9
95.04979	1.5
97.02888	6.7
97.06528	6.0
99.04453	0.8
101.02402	0.5
107.04937	1.1
109.02855	0.9
111.04443	4.4
115.03938	0.7
117.03368	3.1
121.02856	2.4
121.76334	0.3
123.04421	1.0
125.05992	10.7
125.06924	0.5
127.03892	0.9
129.05473	0.9
133.04974	0.3
135.04410	8.7
137.02284	0.5
137.05956	0.4
139.03922	4.7
141.05478	1.3
145.02846	7.9
149.02310	0.4
151.03912	0.6
153.05472	9.2
163.03894	100.0
164.04230	2.5
167.03392	17.9
167.04840	0.6
169.04964	0.4
171.06517	10.4
173.42126	0.3
177.05441	0.6
181.04977	2.8
182.65550	0.3
191.08179	0.6
199.06009	42.0
200.06410	1.2
233.09282	0.5
233.12860	0.9
250.11847	1.1
307.08041	0.9
309.09918	0.5
325.09164	29.1
326.09396	1.5
505.13303	1.3
523.14313	1.2
526.31091	0.4
558.21619	0.5
836.30896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	0.3
61.02920	1.4
62.72044	0.2
67.92160	0.1
69.03422	3.7
70.02496	0.2
70.22437	0.2
71.01347	1.2
71.04984	4.4
73.02909	10.7
75.04480	0.4
77.79150	0.1
79.05473	0.4
81.03403	0.8
83.04966	3.3
85.02895	9.9
87.04449	0.7
89.03901	1.3
94.06570	0.2
95.04929	0.4
97.02883	5.6
99.04430	0.5
99.15491	0.1
101.02380	0.2
103.03959	0.2
106.06538	1.2
107.04943	0.4
109.02847	0.4
109.11019	0.1
111.04415	2.0
115.03221	0.2
115.03926	2.7
117.03366	2.0
118.06564	0.1
122.06010	0.6
127.03891	0.6
129.05460	2.1
132.04449	0.5
133.04951	1.5
133.07590	0.6
134.06003	0.7
135.04407	4.1
135.05553	0.2
139.03839	0.2
144.08026	0.2
145.02823	3.6
145.03934	0.3
146.05988	0.8
147.06505	1.1
148.07556	0.1
157.05002	0.2
158.05965	0.3
161.07072	2.6
163.03880	32.7
164.04224	0.5
169.04938	0.2
171.06467	0.2
172.07489	0.2
175.08652	2.4
176.07030	0.8
177.05415	0.2
179.06712	0.2
179.08134	2.2
181.04936	1.0
187.08667	1.2
188.09399	1.4
189.10190	0.2
189.13853	0.1
203.11699	0.2
204.12541	1.3
205.09734	1.1
206.10481	5.2
215.11850	0.3
216.12535	0.9
217.13332	20.4
218.13728	0.4
220.12012	0.4
221.09055	0.2
221.12802	0.4
225.07547	0.7
227.11725	0.4
229.13269	0.9
232.53333	0.1
234.13571	0.3
235.14371	100.0
236.14706	2.4
241.13303	0.2
243.08592	0.4
247.14410	0.3
248.11507	0.2
255.14963	0.2
259.14362	2.1
261.09735	0.3
267.14838	0.2
271.14621	0.2
277.15439	5.3
283.14264	0.5
295.14325	0.2
301.15533	0.8
307.07849	0.4
307.16501	0.2
309.15918	0.2
313.15347	0.5
325.09134	8.9
325.15399	0.6
327.17004	0.7
343.16516	1.3
345.18039	1.1
349.17313	0.2
361.17517	2.3
363.18909	0.7
367.18671	1.2
381.20120	6.1
382.20535	0.2
397.19638	0.9
409.19617	1.0
429.14777	0.2
455.17908	0.2
476.16910	0.2
495.22784	0.3
513.24255	2.4
541.21106	0.3
559.22778	16.6
560.23090	1.0
601.23639	0.3
705.28711	1.5
733.27539	0.3
837.31714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	0.4
61.02922	1.5
65.03911	0.2
69.03062	0.2
69.03423	4.3
69.27739	0.6
69.28143	0.3
71.01337	0.8
71.04985	4.0
73.02909	10.2
75.04460	0.5
79.05486	0.3
81.03407	1.0
83.04973	3.8
85.02896	9.0
86.03246	0.2
87.04439	0.4
89.03898	1.4
91.05463	0.2
94.06560	0.3
95.04964	0.5
97.02882	5.8
97.06487	0.2
97.62661	0.2
99.04441	0.6
101.02316	0.2
103.03916	0.3
106.04166	0.2
106.06538	1.4
107.04920	0.2
109.02852	0.2
111.04433	2.1
113.02365	0.3
115.03919	2.3
117.03363	4.1
117.04196	0.2
118.06572	0.2
119.04968	0.2
122.05999	0.8
126.59823	0.1
127.03909	0.9
129.05466	1.7
132.04417	0.6
133.04973	1.2
133.07597	0.6
134.03630	0.4
134.06012	0.9
135.04391	0.3
139.03889	0.3
145.02831	14.8
146.03156	0.3
146.06044	0.7
147.06522	0.9
148.07498	0.3
149.05983	1.6
153.15012	0.1
157.04942	0.2
158.05959	0.4
161.07089	2.5
163.03894	0.4
171.06522	0.2
173.94626	0.1
175.08624	1.7
175.12224	0.2
176.07028	0.8
176.09299	0.2
177.05447	26.9
178.05765	0.6
179.06741	0.2
179.08154	2.5
185.07082	0.2
186.05484	0.3
187.08647	0.5
188.09460	1.2
189.10199	0.2
190.10985	2.2
195.06502	1.2
199.08438	0.2
201.10190	0.5
202.10980	1.2
202.18369	0.2
203.11768	22.8
204.12141	0.5
206.10487	2.7
213.10179	0.6
215.11761	0.9
221.12819	100.0
222.13159	2.5
225.07527	0.6
227.11787	0.4
229.09760	0.2
231.11174	0.3
234.37277	0.1
235.14365	0.3
245.12819	2.2
251.11800	0.2
257.12723	0.3
261.09625	0.2
263.13861	5.2
264.14026	0.2
269.12759	0.4
269.21472	0.2
281.12799	0.5
287.13928	0.8
293.15012	0.4
295.14505	0.2
299.13806	0.4
311.13873	0.6
313.15375	0.6
321.09579	0.7
329.14886	1.4
331.16586	1.4
339.10687	9.3
340.10867	0.3
347.15979	2.3
349.17581	0.8
353.17044	1.0
367.18619	5.3
383.17902	0.2
395.18192	1.1
397.17648	0.2
436.62415	0.2
481.22003	0.3
485.16241	0.2
499.22772	2.4
559.22791	10.8
560.23169	0.7
601.23566	0.2
691.26605	0.3
705.28644	1.0
863.90845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.4
69.03418	1.8
69.15817	0.2
70.06562	0.5
71.01350	0.3
71.04699	0.2
71.04996	1.7
73.02914	3.3
76.27477	0.2
79.05489	0.4
81.03391	0.6
83.04973	1.1
85.02904	4.1
89.03905	1.2
95.04943	0.3
97.02885	4.0
99.04466	0.4
103.03984	0.2
106.06564	0.8
107.04923	0.5
109.02890	0.3
111.04414	0.7
115.03915	0.8
117.03358	1.6
127.03902	0.4
129.05461	0.7
132.04387	0.2
133.04985	0.4
133.07590	0.7
134.05984	0.5
135.04410	4.0
145.02844	3.5
145.07613	0.5
146.06027	0.3
147.06467	0.2
147.47292	0.2
158.06181	0.2
160.06302	0.5
161.07126	0.3
163.03891	33.1
164.04172	0.7
172.06174	0.3
172.07523	0.2
173.05595	0.4
173.07088	6.8
174.07722	0.4
175.08611	1.3
181.04938	1.0
185.06993	0.3
188.05743	0.4
191.08141	29.7
192.08612	0.4
201.06583	7.5
202.07050	0.2
205.08496	0.2
215.08139	0.6
217.08395	0.3
218.09242	8.2
219.07634	22.1
220.08029	0.3
224.55679	0.2
230.09245	0.3
233.09120	0.8
236.10278	100.0
237.10474	1.9
238.10674	0.2
242.09181	0.3
260.10303	1.1
261.08624	0.5
265.07031	0.2
278.11340	2.8
281.58652	0.2
302.11285	0.4
307.08118	0.4
308.12347	0.3
325.09180	6.7
344.12338	0.6
346.14066	0.4
362.13531	0.6
368.14380	0.7
382.16037	3.1
398.15353	0.7
466.43600	0.2
560.18658	5.0
838.31561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17403	0.1
61.02921	0.7
69.03426	2.5
69.71935	0.6
70.06596	0.3
71.01347	0.5
71.04989	2.5
73.02915	6.1
75.04462	0.2
75.55997	0.1
79.05486	0.2
81.03414	0.7
83.04971	1.9
85.02900	6.4
87.04464	0.3
89.03916	1.0
91.05490	0.5
95.04958	0.3
97.02895	3.7
99.04449	0.4
101.02355	0.2
107.04961	0.6
109.02889	0.4
111.04437	1.3
115.03934	1.4
117.03366	1.3
119.04939	0.3
121.06498	0.3
127.03922	0.6
129.05469	1.0
133.04973	0.7
135.04411	3.7
137.05969	0.4
145.02834	2.7
147.06538	0.5
148.07536	0.2
163.03897	27.4
164.04224	0.5
164.95561	0.1
175.09949	0.3
176.07043	1.0
181.04990	0.9
188.07089	0.4
190.08649	1.4
191.09421	2.0
194.08141	1.5
202.08650	0.3
203.09367	0.9
204.10173	1.4
205.11066	0.8
206.08138	0.8
206.11728	0.3
218.11763	4.6
220.09683	0.6
221.10481	2.7
225.07637	0.3
227.93929	0.2
236.12798	100.0
237.13132	2.6
243.08665	0.2
307.08087	0.2
325.09171	6.1
326.09592	0.2
382.18567	0.3
398.18069	0.6
560.21259	5.9
560.29901	0.3
561.21228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17995	3.8
63.53069	3.5
65.03945	4.0
66.38885	3.5
67.05499	67.4
69.03434	10.6
69.07066	46.5
69.37675	20.7
71.04998	4.5
79.05493	69.4
81.03426	4.2
81.07052	62.1
83.04964	5.8
83.08604	17.4
87.04469	12.8
91.05473	63.5
93.07040	60.6
95.04950	16.3
95.08057	5.6
95.08595	32.2
96.72422	3.7
97.02916	6.0
97.06525	7.7
97.10154	18.0
103.05440	5.1
105.07032	62.4
107.04953	8.3
107.08572	44.1
109.06515	12.1
109.10162	19.6
111.08084	5.4
113.87759	4.5
117.07003	26.2
119.08569	58.3
121.06510	7.1
121.10142	22.3
123.08059	6.0
123.11732	5.9
125.09630	17.8
129.07001	17.7
130.07834	4.8
131.08542	31.1
131.67064	4.4
133.10144	32.8
135.08060	9.5
135.11707	18.3
143.08531	11.3
145.10141	24.4
147.11684	26.2
149.09644	6.6
149.13275	7.0
157.10121	10.0
159.08107	4.7
159.11696	24.6
161.09592	4.7
161.13289	21.3
171.11690	11.7
173.13264	10.1
175.14722	5.3
177.12787	5.1
187.14792	6.4
188.22026	4.7
189.11197	13.4
195.11749	4.4
199.14806	6.1
212.14291	5.7
213.16377	5.0
223.13261	16.9
227.12741	11.4
231.20905	6.0
239.17967	4.7
241.19514	17.0
257.19083	5.2
259.20471	32.5
269.17517	6.3
273.18478	11.4
275.20111	23.4
289.18039	5.1
291.19525	100.0
292.19974	4.8
333.24252	43.6
335.25702	18.0
342.24347	7.1
349.23608	13.4
365.23346	31.4
381.22806	10.8
392.42068	4.5
448.45154	4.2
493.14053	4.5
493.21088	4.8
543.37146	25.6
605.42389	6.7
623.43085	45.1
641.43976	19.6
657.60614	4.6
762.21436	4.5
838.55212	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	839.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37535	0.4
68.28024	0.4
69.08934	1.1
69.09334	2.5
79.01614	2.4
82.00331	1.2
95.01102	1.8
96.01879	0.5
98.23612	0.9
103.05454	0.8
113.02152	1.0
119.08608	0.5
127.00045	1.5
131.04892	2.7
137.05991	0.7
139.03647	0.5
141.05273	1.5
153.01610	1.3
163.07600	0.8
167.03262	0.5
167.73050	0.4
177.05405	0.7
181.04866	0.7
185.04301	1.9
185.05823	2.6
199.05780	1.2
209.04274	0.6
227.05252	3.3
243.04819	1.9
245.06393	0.8
253.03253	1.2
271.04178	4.6
271.06390	0.4
347.60211	0.5
365.12131	1.0
395.10928	3.4
399.16388	1.7
403.21512	0.5
407.13293	1.5
410.13330	8.2
451.12476	1.8
463.22995	0.7
489.17825	0.7
591.22247	1.8
619.21130	0.8
627.19275	0.5
753.26831	2.2
795.28241	29.5
796.28162	1.2
839.27209	100.0
840.27667	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	839.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.3
61.02911	0.9
64.46609	0.3
67.05510	0.3
68.23907	0.2
69.03425	2.4
71.01339	0.7
71.04986	5.5
71.42536	0.3
73.02908	1.7
75.04445	0.9
81.03416	1.0
83.04972	4.7
85.02898	17.4
87.04468	0.6
89.03917	1.7
95.04975	0.7
95.74178	0.3
97.02892	3.5
97.06505	0.3
99.04444	0.9
101.02367	0.4
103.03929	2.8
106.06544	1.2
107.04936	0.5
109.02842	0.5
110.03020	0.3
111.04426	3.6
113.02327	2.4
117.03367	1.8
122.05991	0.5
127.03935	0.8
129.05464	2.8
131.03378	4.1
131.44254	0.4
132.04401	0.5
133.07623	0.4
134.06050	0.3
135.03468	0.4
135.04410	4.8
145.02809	2.9
145.05103	0.3
146.05989	0.7
147.06561	2.1
149.05994	0.4
151.03897	0.6
153.05469	0.4
157.04933	1.0
161.07056	2.4
163.03889	33.6
164.04251	0.8
170.02686	0.6
171.06590	0.6
174.37907	0.3
175.08615	1.4
175.12172	0.3
176.07065	0.9
177.05486	0.7
179.08141	2.2
181.04901	1.3
187.08632	0.5
188.09433	1.0
190.11031	1.9
202.10992	1.0
203.11774	22.1
204.12054	0.7
206.10486	2.9
213.10124	0.4
215.11780	0.8
216.03180	0.5
217.13298	0.4
219.71889	0.4
221.12825	100.0
222.13200	2.1
227.11848	0.5
241.07298	0.5
245.12819	2.6
259.08118	1.2
263.13852	5.9
267.11050	0.3
273.12140	0.4
281.12991	0.3
287.13892	1.1
299.13956	0.6
307.08044	0.7
313.15518	0.6
325.09131	8.3
329.14859	1.3
331.16434	1.5
347.16052	2.5
349.17633	0.5
351.15607	0.4
367.18579	4.1
383.17871	0.4
393.16486	2.2
411.17426	0.4
497.21179	2.9
515.22400	2.4
545.21222	14.3
546.21509	1.0
548.45105	0.4
587.22437	0.4
691.26105	0.6
839.26031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98668	0.1
65.31973	0.1
66.58803	0.2
67.92634	0.1
68.46085	0.1
68.68573	0.2
70.06601	0.2
70.64584	0.2
70.64915	0.2
75.04820	0.1
81.07014	0.2
94.37683	0.2
108.85572	0.2
112.66373	0.2
155.31845	0.1
171.73962	0.1
175.90520	0.1
191.14767	0.2
311.44977	0.2
353.14978	0.3
371.18210	2.6
372.56088	0.2
431.20374	100.0
432.20776	5.4
432.26746	0.3
472.22787	0.4
813.51654	0.2
839.45990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99578	6.0
67.93064	0.6
69.03425	1.6
69.27590	1.2
69.27998	1.8
71.04986	7.7
73.02918	2.1
74.00657	0.7
79.05505	0.6
82.02966	0.6
83.04987	1.4
84.04508	0.5
85.02896	10.0
86.00639	5.4
86.68710	0.5
86.99062	3.1
89.03908	3.0
95.04957	0.8
96.04461	1.0
97.02882	3.6
98.00636	6.0
98.23424	1.1
100.02186	2.5
100.03970	4.6
101.00597	0.6
104.01668	1.7
105.00074	2.8
107.04932	1.3
108.04470	0.6
111.04451	1.8
112.02203	1.4
114.00105	8.4
114.03743	1.4
116.01687	3.5
117.03421	3.4
124.02195	1.9
124.03926	3.3
126.03709	0.9
126.05494	1.3
127.03907	0.9
128.01630	2.4
129.05440	3.0
129.99745	0.6
130.03178	0.6
132.01143	11.2
135.04401	8.4
138.05457	1.3
141.99567	2.1
142.03207	5.7
142.27092	0.5
144.01123	6.5
145.01834	1.1
145.02847	9.0
147.06470	1.2
151.03896	3.8
152.01653	1.2
154.03215	0.8
156.01187	1.0
158.02673	1.2
160.00638	5.5
162.02185	1.0
163.03889	93.1
164.04228	2.3
166.03230	0.6
166.04999	1.8
170.02695	70.0
171.03017	1.8
174.02257	0.7
177.05386	0.9
178.01730	0.9
181.04961	2.4
182.02675	1.3
184.04272	8.4
186.02194	1.5
188.03780	0.9
200.03726	1.8
202.01666	0.6
208.06049	1.1
210.02094	0.7
212.03722	5.3
215.02463	4.0
216.03235	100.0
217.03510	2.4
221.12872	0.8
224.03703	0.9
226.05255	0.8
228.03194	3.4
230.01054	0.7
230.04733	1.9
233.47612	0.6
240.03221	0.7
254.04771	2.3
258.04291	22.6
272.05646	0.7
282.04318	1.6
300.05341	13.4
307.07840	0.7
309.09677	1.5
325.09140	21.2
326.06757	3.9
326.10120	0.6
334.09482	1.1
344.07935	11.0
362.09003	14.5
446.66370	0.6
655.06091	0.6
694.76404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.5
64.58413	0.4
65.03947	0.6
67.05501	23.9
69.03413	1.4
69.06721	0.4
69.07066	7.0
70.06578	0.5
71.04977	2.4
73.02906	1.4
77.03944	0.4
79.05048	0.7
79.05492	12.8
81.03422	2.8
81.07054	32.7
82.07385	0.5
83.04978	2.9
83.08614	7.1
84.11260	0.4
85.02902	3.6
85.06550	2.2
91.03956	2.2
91.05475	11.6
93.07042	23.4
94.07375	0.4
95.04957	3.8
95.08600	8.9
97.02899	1.8
97.06529	5.7
97.10151	0.7
99.04453	0.7
99.08071	1.6
103.03965	0.5
105.04469	0.5
105.07035	5.8
107.04964	0.8
107.08588	12.3
109.02850	0.5
109.06528	1.1
109.10145	1.8
111.08048	2.9
117.07005	6.0
118.07284	0.4
119.08570	3.3
121.06492	1.3
121.10140	6.5
121.49888	0.3
123.08047	0.8
123.11687	1.6
125.09611	0.4
127.03905	1.2
129.06992	0.9
131.08559	7.5
133.06517	0.4
133.10118	8.7
135.08047	1.2
135.11691	6.3
139.07512	0.5
141.06964	0.7
143.08565	1.0
145.04955	0.9
145.10133	1.1
147.11674	1.3
149.09612	1.0
149.12108	0.8
149.13254	12.4
151.11188	1.1
155.08578	0.7
157.10106	1.3
159.11681	12.2
161.13277	1.7
163.05966	1.3
167.14429	0.6
171.11673	0.5
173.04391	0.7
177.12737	14.7
179.14294	4.0
181.10094	0.5
183.11655	0.5
185.13287	0.5
195.13780	10.4
196.14145	0.6
213.14836	3.7
233.15352	0.9
251.16406	5.4
267.15945	0.4
269.17456	100.0
270.17841	2.8
271.18246	0.4
303.16037	0.5
321.16971	0.5
327.49411	0.4
339.18164	1.9
343.26385	0.5
353.24649	1.1
357.19226	1.1
371.25781	1.2
377.19458	0.6
389.26831	1.0
395.20438	0.6
413.21738	3.1
421.81018	0.4
428.69400	0.4
431.22855	2.3
437.28635	0.6
445.29309	1.9
463.30518	16.0
481.31558	8.4
575.27350	0.6
607.34509	0.9
625.35840	2.1
840.34302	1.1
841.37744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.5
64.58413	0.4
65.03947	0.6
67.05501	23.9
69.03413	1.4
69.06721	0.4
69.07066	7.0
70.06578	0.5
71.04977	2.4
73.02906	1.4
77.03944	0.4
79.05048	0.7
79.05492	12.8
81.03422	2.8
81.07054	32.7
82.07385	0.5
83.04978	2.9
83.08614	7.1
84.11260	0.4
85.02902	3.6
85.06550	2.2
91.03956	2.2
91.05475	11.6
93.07042	23.4
94.07375	0.4
95.04957	3.8
95.08600	8.9
97.02899	1.8
97.06529	5.7
97.10151	0.7
99.04453	0.7
99.08071	1.6
103.03965	0.5
105.04469	0.5
105.07035	5.8
107.04964	0.8
107.08588	12.3
109.02850	0.5
109.06528	1.1
109.10145	1.8
111.08048	2.9
117.07005	6.0
118.07284	0.4
119.08570	3.3
121.06492	1.3
121.10140	6.5
121.49888	0.3
123.08047	0.8
123.11687	1.6
125.09611	0.4
127.03905	1.2
129.06992	0.9
131.08559	7.5
133.06517	0.4
133.10118	8.7
135.08047	1.2
135.11691	6.3
139.07512	0.5
141.06964	0.7
143.08565	1.0
145.04955	0.9
145.10133	1.1
147.11674	1.3
149.09612	1.0
149.12108	0.8
149.13254	12.4
151.11188	1.1
155.08578	0.7
157.10106	1.3
159.11681	12.2
161.13277	1.7
163.05966	1.3
167.14429	0.6
171.11673	0.5
173.04391	0.7
177.12737	14.7
179.14294	4.0
181.10094	0.5
183.11655	0.5
185.13287	0.5
195.13780	10.4
196.14145	0.6
213.14836	3.7
233.15352	0.9
251.16406	5.4
267.15945	0.4
269.17456	100.0
270.17841	2.8
271.18246	0.4
303.16037	0.5
321.16971	0.5
327.49411	0.4
339.18164	1.9
343.26385	0.5
353.24649	1.1
357.19226	1.1
371.25781	1.2
377.19458	0.6
389.26831	1.0
395.20438	0.6
413.21738	3.1
421.81018	0.4
428.69400	0.4
431.22855	2.3
437.28635	0.6
445.29309	1.9
463.30518	16.0
481.31558	8.4
575.27350	0.6
607.34509	0.9
625.35840	2.1
840.34302	1.1
841.37744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
65.03927	4.7
67.05502	100.0
68.96899	2.9
69.03419	8.3
69.06759	3.2
69.07067	36.6
70.51603	2.4
70.92906	3.3
71.04994	5.7
71.08649	2.9
77.03918	3.3
79.05488	87.2
81.03411	11.9
81.07053	99.0
83.04977	11.0
83.08616	16.3
85.02892	5.2
85.06525	4.3
91.03965	3.3
91.05473	85.7
93.07037	93.1
95.04960	20.0
95.08598	64.9
97.02886	4.9
97.06538	14.8
97.10172	7.6
99.08076	4.5
103.05494	3.3
105.04522	6.3
105.07031	84.9
107.04943	8.1
107.08591	56.2
109.06570	5.9
109.10138	27.7
111.08091	5.6
115.05466	3.8
117.07004	31.4
119.08575	61.1
121.06496	5.0
121.10133	33.0
123.08070	6.3
123.11704	8.0
125.09628	6.2
128.06204	3.6
129.07001	22.7
131.08566	39.0
133.10121	49.5
135.08032	4.3
135.11691	27.2
137.09593	4.1
141.06949	4.3
142.07776	3.6
143.08574	20.8
145.10132	29.8
147.11684	39.0
149.09605	10.0
149.13274	15.0
151.11215	4.5
155.08557	8.1
157.10158	15.9
159.11691	30.9
161.09628	7.0
161.13208	23.7
163.11171	6.5
167.08623	6.0
169.10112	11.1
171.11742	18.5
171.13029	2.8
173.13280	16.4
175.11143	6.5
175.14828	6.9
177.12660	2.8
181.10117	4.0
183.11705	8.1
185.11757	3.2
185.13188	12.5
187.14757	8.9
189.12686	3.8
195.11682	7.6
195.13734	3.8
197.13254	7.7
199.14784	8.4
207.11777	4.0
209.13194	3.4
211.14848	4.7
213.16447	2.7
218.23828	2.9
223.14723	2.8
225.16415	3.8
237.16412	2.9
238.26120	3.1
239.17862	4.8
241.19656	12.5
255.15695	13.5
257.18954	7.4
259.20560	34.9
261.22031	6.5
267.15857	4.5
269.17453	22.8
273.18546	6.1
275.20215	14.0
315.23129	4.7
333.24274	35.0
335.25842	17.6
344.25775	7.3
347.22601	2.7
349.23706	9.8
365.23236	8.1
367.24783	5.4
417.31491	3.4
435.32928	4.5
513.36102	12.6
515.37134	3.2
527.37360	49.2
545.38037	5.8
551.39636	3.2
607.43439	17.0
625.44373	36.1
626.44977	5.4
718.95184	2.9
725.85449	3.2
785.75256	3.1
840.55756	3.9
841.45587	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.0
65.03943	5.0
67.05500	100.0
69.03426	17.1
69.07063	64.4
69.85316	2.0
69.85674	5.0
71.04991	22.4
73.02913	5.3
77.03907	2.1
79.05488	88.2
80.05794	1.7
81.03414	26.3
81.07052	93.2
82.07370	1.7
82.64912	1.5
83.04992	13.6
83.08618	15.8
85.02890	11.5
85.06548	4.7
91.05477	59.4
93.06446	4.0
93.07039	81.0
95.04962	26.0
95.08600	64.2
95.09219	2.9
97.02902	13.0
97.06525	76.8
97.10163	6.2
99.04466	3.8
99.08083	6.6
104.17355	1.9
105.04525	5.9
105.07021	41.3
107.04940	11.7
107.08577	41.5
109.02864	4.3
109.06509	22.5
109.10143	24.0
110.54353	1.7
111.08096	5.4
113.06044	1.8
115.05444	4.6
115.07566	26.5
117.07005	21.8
119.04904	1.9
119.08566	29.4
121.06506	4.4
121.10141	29.0
123.08080	9.3
123.11714	7.9
127.03912	5.4
127.07537	3.2
128.06197	2.2
129.07005	13.6
131.08551	23.9
131.14436	1.6
133.06499	5.4
133.10123	24.5
135.08052	10.9
135.11685	15.5
137.09583	4.4
139.07533	2.3
141.07037	2.0
142.07805	2.9
143.08557	7.5
145.10106	17.3
147.08046	5.9
147.11653	13.6
149.09572	8.3
149.13245	13.0
151.11183	4.0
155.08527	3.6
157.10129	9.9
157.71320	1.9
159.08047	4.1
159.11699	13.2
161.09598	7.8
161.13293	8.7
163.11212	3.1
163.14728	3.5
165.12756	2.3
169.10132	3.5
171.11633	8.6
173.04488	6.4
173.09622	2.0
173.13208	8.4
175.11197	3.6
175.14806	4.2
177.12762	4.4
183.11717	2.9
185.09639	2.6
185.13281	4.8
187.11198	2.3
187.14824	4.6
189.12747	2.6
195.11685	2.3
195.13771	4.4
199.14838	2.9
201.07631	3.7
201.12752	1.7
201.16400	2.8
217.15926	9.6
227.12839	2.6
233.15373	2.3
237.16513	3.4
243.21062	2.4
245.18935	3.3
253.14293	3.5
255.17421	6.1
259.20575	3.7
261.22134	9.8
267.15967	4.9
269.17438	10.7
273.18469	30.9
275.20071	2.3
291.19504	16.1
297.17078	2.5
307.18875	2.4
317.24823	2.1
333.24063	2.4
335.25772	87.5
336.26141	4.8
344.25851	2.2
347.22235	11.0
349.23526	2.2
365.23294	12.6
367.10364	2.0
391.28494	2.5
403.11218	1.7
455.44965	1.7
515.37061	3.6
519.36597	2.0
527.37012	2.4
529.38922	23.2
607.27350	2.1
607.43225	6.0
625.44592	16.2
626.45844	2.3
643.45117	5.8
734.85895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.2
65.03925	4.9
67.05501	89.8
68.81077	2.7
69.03425	4.7
69.07063	38.2
69.52974	13.9
71.04987	12.8
79.05491	83.5
81.03414	11.4
81.07054	100.0
83.04978	12.7
83.08617	22.4
85.02912	8.2
85.06556	4.2
91.05475	77.9
93.07037	82.2
93.19489	2.8
95.04973	23.6
95.08601	61.4
95.33535	2.9
97.02885	5.5
97.06516	10.6
97.10164	7.1
99.08090	5.9
104.10909	3.0
105.04498	7.3
105.07026	81.5
107.04941	8.7
107.08585	38.3
109.06519	9.7
109.10128	24.9
111.08082	5.5
115.05453	5.8
117.07014	36.5
119.08569	60.3
121.06493	8.1
121.10159	32.1
123.08073	5.5
123.11698	5.2
123.55453	2.6
125.09665	4.8
125.81533	2.9
128.06203	4.9
129.07024	21.7
130.07809	3.3
131.08562	45.8
133.10104	44.3
135.08090	6.0
135.11681	22.9
137.09595	5.4
141.06992	8.8
142.07776	5.9
143.08565	20.8
145.10114	38.8
147.08051	5.9
147.11670	33.2
149.09631	10.2
149.13239	19.6
155.08580	11.9
157.10141	22.2
159.08086	3.6
159.11659	28.6
161.13228	14.5
163.11160	5.0
167.08612	6.0
169.10172	8.4
171.11662	18.8
173.09589	3.7
173.13202	16.4
175.11272	4.7
175.14827	9.2
177.12683	3.9
181.10172	5.7
183.11685	11.6
185.13260	13.3
187.11365	3.8
187.14844	8.2
193.10197	3.3
195.11656	6.7
197.13266	12.5
199.14865	8.2
205.10202	2.9
209.13289	4.0
211.14853	7.1
213.16415	3.3
219.57761	3.0
223.14844	6.6
241.19589	10.9
244.90450	3.4
255.15749	5.6
257.18887	4.6
259.20581	37.1
269.17447	12.0
275.19971	17.7
315.23138	3.5
333.24207	39.8
335.25900	6.2
344.25925	5.9
349.23862	9.1
434.16571	2.9
435.32809	7.1
453.33447	4.4
462.92426	3.6
465.76898	3.5
471.35437	3.1
505.48749	3.1
507.34338	3.1
509.35611	3.0
513.35675	15.1
515.37964	6.2
527.37225	32.7
533.39655	5.4
607.43799	24.0
625.44385	21.4
643.45154	4.3
660.59613	3.3
840.55096	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	842.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.1
63.02364	0.6
69.03430	5.9
69.63334	2.8
70.06577	2.0
71.01347	1.2
71.04990	7.4
73.02910	14.7
75.04498	0.7
81.03402	4.9
83.04978	5.2
84.68526	0.6
85.02898	14.3
87.04486	0.9
89.03913	3.4
95.04945	0.7
97.02896	7.4
99.04429	1.8
103.03918	0.7
105.07037	1.9
109.02877	6.4
111.04446	3.1
115.03919	4.4
117.03382	12.2
126.05515	0.6
127.03899	7.1
127.71685	0.6
129.05478	2.9
133.04935	2.0
133.56607	0.6
134.03632	1.3
135.01756	0.7
135.04430	1.2
142.50726	0.6
145.02838	44.9
147.06526	2.1
149.05995	5.2
163.03903	2.1
177.05460	100.0
178.05814	2.1
195.06500	7.6
225.07578	0.8
321.09540	1.1
406.51654	0.6
407.09271	0.7
425.10760	53.0
426.11111	2.0
563.64862	1.6
575.29999	0.7
660.57959	0.9
703.20526	0.9
756.44556	0.8
841.58319	1.1
842.60736	4.8
864.02252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.6
63.52743	1.7
65.03935	5.9
65.63552	1.7
67.05503	100.0
67.50108	1.5
69.03416	5.6
69.07063	22.6
71.04987	6.0
71.08647	2.7
73.02912	2.2
76.86803	1.7
79.05492	49.4
79.05952	3.0
79.13952	1.7
81.03416	4.8
81.07053	79.1
82.07396	1.8
83.04974	5.6
83.08608	15.1
85.02921	4.1
85.06522	3.3
89.66693	1.7
91.05479	40.6
93.07041	61.4
95.04961	7.8
95.08598	49.6
97.02890	2.7
97.06510	6.0
97.10164	8.7
98.22668	2.7
99.08091	2.7
105.04538	2.2
105.07022	30.2
107.04947	2.9
107.08592	37.6
109.06527	4.8
109.10152	38.8
111.08100	5.3
117.06996	13.2
119.08579	23.9
121.06515	2.5
121.10137	24.0
123.08074	3.9
123.11717	6.4
125.09645	5.6
129.06995	2.3
131.08556	16.6
133.10130	15.8
135.11702	14.8
137.09628	3.3
143.08586	3.7
145.10143	13.2
147.07983	1.8
147.11671	13.6
149.09628	4.4
149.13249	11.7
155.08525	2.2
155.10628	1.8
157.10132	3.2
159.11679	9.4
161.13258	4.7
163.11140	2.2
163.14812	2.7
169.10143	2.6
171.11632	3.4
173.11758	7.9
173.13257	4.7
175.14891	2.1
183.11807	1.9
184.07358	3.6
185.13293	1.8
187.14783	4.0
193.12285	2.0
195.13760	2.9
209.28522	1.5
227.12715	7.9
229.14352	28.7
243.21141	3.1
257.19009	4.5
259.20468	3.1
261.22147	12.2
269.17480	13.3
275.20053	21.5
293.21106	2.3
317.24829	2.0
335.25787	85.2
336.26218	4.1
349.23743	17.9
367.24832	9.4
473.35803	2.0
489.35608	22.7
494.88803	1.8
507.36887	3.4
527.37445	2.5
529.38965	34.0
530.38995	2.5
549.26343	2.8
569.41821	4.9
609.44958	22.6
627.46246	13.6
843.48590	46.4
844.33185	1.8
866.22205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83167	0.3
70.06563	1.1
75.74475	0.4
79.03242	0.3
82.91175	0.4
95.04957	0.4
119.08553	0.5
135.11699	0.6
144.06670	0.4
163.03955	0.7
169.13347	0.4
179.28915	0.3
373.19812	15.2
374.20303	0.6
433.21945	100.0
434.22363	4.8
447.19980	1.7
843.39905	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.9
67.05499	4.0
69.03430	2.0
69.07090	1.2
71.05013	0.6
73.02911	2.7
79.05477	3.6
81.03376	1.3
81.07055	4.1
85.02892	3.1
85.06533	1.0
91.03965	1.3
91.05483	4.0
93.07031	4.1
95.04966	2.6
95.08624	1.9
97.02892	2.7
99.04455	0.6
101.02366	1.3
105.07056	1.6
107.04923	1.0
107.08606	1.7
109.06512	2.2
109.10157	0.9
112.65370	0.6
113.06017	2.3
117.07034	1.8
119.08587	1.6
121.10122	1.0
123.11784	0.5
127.03905	0.9
129.05547	0.7
131.08597	1.5
133.10138	1.4
135.08069	0.7
135.11674	0.9
136.06210	3.4
143.08569	0.8
145.10138	1.5
147.11630	0.6
157.10138	0.6
185.04207	1.0
243.08496	2.3
257.64627	0.7
259.20560	0.6
301.09097	1.3
315.10547	0.8
331.18719	3.6
345.26019	0.7
348.21765	0.6
355.93469	0.6
387.21649	1.2
465.20798	1.1
495.21951	0.8
535.28552	5.3
549.26801	8.5
557.20453	0.7
621.29004	1.2
682.45435	1.5
843.48474	100.0
844.48938	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
66.32186	0.7
67.05500	10.5
68.05827	0.9
69.03429	3.0
69.07070	2.9
73.02912	2.3
79.05486	8.4
81.03415	1.8
81.07046	10.8
82.07390	1.0
83.04999	1.0
83.08633	1.5
84.61201	0.7
85.02913	3.4
91.03976	1.9
91.05471	5.8
93.07034	7.5
95.04962	1.7
95.08611	7.7
97.02900	3.2
97.06582	1.3
97.10171	1.6
98.44519	0.9
101.02408	1.4
105.07042	4.3
107.08599	4.4
109.10143	3.8
117.07043	1.6
119.08571	4.1
121.10163	2.7
125.09708	1.2
131.08575	1.8
133.10150	3.0
135.11734	1.6
143.08661	0.8
145.10191	1.0
147.11697	2.1
157.10103	1.0
159.11758	1.8
173.11772	0.8
173.13275	1.1
175.06256	0.8
197.63133	0.9
229.14432	1.7
243.08505	2.4
269.17413	1.5
275.20065	1.7
291.19888	1.1
315.10492	1.1
335.25787	5.9
336.26175	3.4
349.23584	1.6
489.35947	0.9
490.36389	1.9
529.38977	1.9
530.39337	3.3
535.28741	5.9
549.26843	3.1
551.28217	1.0
565.26099	1.0
577.83301	0.8
610.45551	2.8
627.45154	1.0
628.46539	1.4
703.67963	0.8
773.39435	0.9
843.48529	100.0
844.48914	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.9
67.05492	6.1
69.03426	2.2
69.07065	1.7
71.01367	1.0
73.02912	2.6
79.05484	5.3
81.03412	1.5
81.07048	4.6
83.05001	0.8
85.02892	4.3
91.03967	1.8
91.05468	5.2
93.07038	4.2
95.04993	2.6
95.08614	2.9
97.02904	3.0
101.02390	1.8
105.07034	4.0
107.08622	3.0
109.02899	1.0
109.10156	1.0
117.07042	1.2
119.08588	2.3
121.10141	0.9
131.08536	1.0
133.10141	2.1
135.11760	0.9
144.85663	1.0
145.10172	0.8
147.11739	1.2
162.97527	0.9
185.04208	1.0
193.12291	1.0
243.08490	2.4
313.17691	1.4
331.18759	1.5
373.11133	0.9
455.69824	0.9
460.83112	0.8
531.25928	1.9
535.28918	6.1
549.26782	2.8
745.41968	1.3
825.47772	7.2
843.48419	100.0
844.49292	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	844.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.5
61.02922	1.4
63.02371	0.4
67.01855	0.5
69.03064	0.3
69.03423	4.7
69.47005	0.5
69.47406	1.0
71.01332	0.8
71.04633	0.4
71.04990	5.2
73.02912	12.5
74.03199	0.3
75.04475	0.5
79.05485	0.6
81.03408	3.4
83.04985	3.6
85.02899	11.5
87.00832	0.5
87.04457	0.4
87.93075	0.3
89.03911	2.8
89.46082	0.3
95.04953	0.8
97.02259	0.5
97.02886	7.8
98.23396	0.4
99.04451	1.2
102.43294	0.3
103.03909	0.5
107.04928	1.1
109.02872	5.6
111.04433	2.8
115.03912	3.1
117.03365	4.4
121.06497	2.9
123.04500	0.3
127.03909	5.4
129.05463	2.5
133.04947	1.8
135.04402	10.1
139.03847	0.5
145.02837	9.2
147.04416	0.6
147.06474	1.3
149.62846	0.3
163.03889	100.0
164.04221	2.1
165.05507	0.4
166.28976	0.3
181.04944	6.9
213.03879	0.5
215.06882	0.3
225.07611	1.1
227.07039	0.5
229.08614	0.5
231.04936	0.6
243.08714	0.8
245.07999	0.3
247.06099	0.7
247.09660	0.5
261.09747	0.9
271.05930	0.5
289.06946	0.4
295.08148	0.3
301.10693	1.5
307.08185	1.1
366.91678	0.3
393.08163	0.8
411.09180	47.1
412.09534	1.7
459.99670	0.3
757.40948	0.3
766.42181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.5
69.03426	4.3
69.27980	0.8
69.28389	1.3
70.06555	0.4
71.01335	0.6
71.04994	4.6
73.02912	10.2
78.04681	0.5
81.03435	2.4
83.04980	4.2
85.02901	9.8
87.04468	0.8
89.03899	4.4
91.05477	0.7
95.04957	0.5
97.02879	4.8
98.23402	0.9
99.04452	0.7
103.03973	0.6
109.02875	5.6
111.04459	2.6
115.03942	2.0
117.03368	12.7
119.04897	0.6
121.06473	0.4
125.80111	0.3
127.03916	1.3
129.05476	2.2
133.04991	1.0
134.03618	0.9
135.04398	1.1
137.05960	0.5
139.03940	0.6
145.02834	43.4
146.03157	0.8
147.06505	1.0
149.05968	3.9
151.07545	2.4
163.03893	1.0
164.76955	0.4
165.09215	0.4
169.04938	1.0
175.89615	0.4
177.05458	100.0
178.05777	1.9
179.07039	1.4
181.06413	0.5
186.05411	0.7
187.05984	0.5
193.08595	0.5
195.06451	0.6
199.07634	0.4
201.49239	0.4
217.08546	0.6
225.07518	0.5
231.10213	0.7
235.09581	0.4
259.09570	3.2
264.26712	0.4
277.10757	1.9
303.08292	0.5
319.11682	0.8
321.09668	1.1
337.12704	0.9
339.10696	0.7
363.10583	0.5
381.11777	28.7
382.11847	0.8
531.18402	1.1
548.00891	0.4
596.80096	0.6
843.60193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94263	0.4
67.05434	0.7
70.06498	1.7
70.06833	0.4
71.42626	0.5
71.42995	0.4
72.00038	0.5
73.02810	0.4
79.21378	0.5
81.06958	0.6
85.02835	0.7
93.06987	0.6
96.08133	0.5
102.94555	0.5
126.70054	0.4
127.03725	0.5
133.03395	0.5
173.02713	0.6
185.04146	0.7
203.05270	2.6
253.12868	0.8
259.07773	1.6
305.08267	0.6
309.16602	2.1
347.09424	3.5
365.10522	7.1
405.13507	0.5
421.13287	3.4
443.22485	0.8
471.21991	46.0
472.22226	1.5
605.27808	1.1
615.26440	0.7
633.27222	100.0
634.27576	5.8
648.27881	0.5
845.41339	98.0
846.41919	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	845.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85269	0.6
61.01150	1.1
65.33829	0.6
69.07059	1.4
69.46169	1.4
69.46571	2.5
70.06586	100.0
71.06956	1.5
72.08146	5.8
81.04540	1.5
82.05324	1.2
83.06105	4.9
86.09706	13.9
86.66800	0.7
93.04507	4.3
95.06081	2.9
97.02895	0.7
98.06054	1.0
104.05338	3.3
110.07156	62.3
111.07487	0.7
114.09251	0.7
117.03724	1.4
120.08119	0.9
121.04024	0.8
122.07193	1.0
126.05516	0.9
126.25944	0.8
127.08684	0.8
133.25900	0.7
136.08742	2.0
141.10213	34.7
146.09706	0.9
148.08737	2.9
155.08206	1.2
156.07719	0.8
157.13399	1.6
160.08728	1.5
162.10260	25.1
163.03932	0.8
164.11911	2.2
166.06133	5.1
169.09715	54.8
169.13344	29.5
177.11377	1.2
190.09821	3.2
193.10939	0.8
195.11226	1.2
196.09111	1.9
197.12834	21.4
215.78925	0.7
217.10973	2.6
221.10394	1.4
233.14098	1.6
235.11899	10.5
241.11150	4.0
252.08017	3.6
254.18712	2.8
261.13522	1.5
263.11499	3.2
266.15140	1.6
268.16711	1.3
268.20377	0.9
269.10632	11.8
282.18103	17.9
288.14865	1.7
288.18344	3.2
296.19745	4.4
297.10403	1.2
300.13763	2.1
316.17679	12.0
333.37830	0.8
334.18896	1.4
337.22522	0.8
348.15134	0.8
351.24170	1.1
366.16071	1.2
379.23456	1.7
382.19467	0.8
385.22507	0.9
397.13898	0.8
413.22491	3.1
415.24753	1.2
427.23898	1.1
433.25562	3.5
434.27969	0.8
437.19336	0.9
464.29196	1.1
465.22806	1.7
522.28516	5.9
550.28040	20.4
551.28400	1.0
564.29559	7.5
577.36969	4.3
647.32892	1.0
680.41357	0.9
708.41193	5.1
732.38025	1.2
746.40063	7.2
747.40564	0.9
817.47443	10.3
827.46930	2.8
845.46973	54.9
846.47253	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	845.479
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55045	1.3
67.05499	1.2
84.23264	1.0
89.71999	1.2
92.32416	1.2
101.22490	1.0
111.50285	1.1
129.64566	1.0
153.27013	1.0
192.99580	1.2
216.37424	1.1
263.69385	1.0
281.59958	1.0
845.48242	100.0
846.48718	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	845.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.6
69.03461	0.5
69.15163	1.5
69.15594	1.8
73.02910	0.6
76.50062	0.5
79.05508	0.6
81.07075	0.9
85.02921	0.6
91.03974	0.5
91.05497	0.8
95.08604	0.9
130.84161	0.5
147.11710	0.5
178.83733	0.5
190.07713	0.4
196.45848	0.5
197.98381	0.5
459.00427	0.6
472.62695	0.5
492.36307	0.5
519.29462	0.9
551.26312	2.4
567.28088	0.6
788.43976	0.5
845.48206	100.0
846.48376	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.8
67.05499	4.2
69.03426	3.6
69.07066	1.1
69.84840	1.2
69.85182	2.1
73.02929	3.6
79.05491	6.9
81.03426	1.2
81.07063	3.1
85.02912	3.8
86.09809	0.7
89.70260	0.7
91.03964	2.5
91.05475	6.7
93.07032	6.0
95.04985	0.7
95.08624	2.2
97.02882	4.1
97.10198	1.2
101.02384	1.5
105.07027	4.5
107.08571	3.9
109.10188	2.1
117.07041	1.9
119.08583	4.2
121.10157	1.2
127.03976	1.1
131.08585	1.7
133.10168	2.1
136.06200	1.9
143.08543	1.1
145.10161	1.7
157.10214	0.9
176.10742	0.8
185.04301	1.3
185.13174	0.8
190.08659	0.9
203.14313	0.8
243.08458	3.4
263.00201	0.7
301.08945	1.7
315.10474	0.8
333.20544	0.8
348.21732	0.8
373.11029	1.0
465.20850	1.3
480.89011	0.8
533.27209	1.2
535.28680	5.5
551.28369	6.5
623.30548	1.0
797.33307	0.9
845.50146	100.0
846.50763	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.8
61.34765	0.3
65.03932	0.6
67.05502	6.3
67.05820	0.5
69.03430	3.8
69.03767	0.5
69.07073	1.7
71.05003	0.5
71.51414	0.4
73.02920	4.3
79.05482	5.2
80.59767	0.3
81.03416	1.9
81.07052	5.0
83.04979	0.5
83.08643	0.7
85.02901	6.6
91.03948	4.0
91.05470	3.3
93.07033	4.7
95.04981	1.5
95.08595	3.6
97.02893	6.3
97.06553	1.6
97.10189	0.4
99.04459	1.1
101.02403	1.7
103.03920	0.4
105.07027	2.0
107.08588	2.4
109.02881	0.6
109.10152	2.0
109.71835	0.4
111.08150	0.6
115.03923	0.4
117.07041	0.7
119.08609	1.1
121.10108	2.4
123.11705	0.7
127.03944	1.4
131.08549	0.7
133.10118	0.9
135.11728	1.1
145.04997	0.4
145.10121	0.6
149.13272	0.4
161.13380	0.4
185.04201	0.8
243.08415	2.5
261.14578	0.5
315.10416	0.5
335.25861	0.7
349.19806	9.2
349.23981	0.5
370.92819	0.4
374.94461	0.4
439.19687	1.0
443.19043	0.8
479.22711	1.5
519.29126	6.9
567.27588	3.0
696.66791	0.4
721.41302	0.7
757.45032	1.6
773.70740	0.4
845.50018	100.0
846.50323	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	846.287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.8
69.03433	0.9
70.53056	0.5
73.02882	0.5
79.05473	0.5
81.03426	0.4
85.02895	3.2
89.03902	3.0
91.03960	0.9
95.04984	0.2
97.02859	1.5
99.04460	0.2
107.04945	1.2
109.02875	0.5
117.03367	4.0
127.03880	1.6
135.04408	8.8
136.04761	0.2
136.56194	0.2
145.02840	9.2
145.04811	1.4
163.03889	100.0
164.04230	1.8
181.04958	0.5
212.49075	0.2
307.07965	0.3
325.09128	28.6
326.09558	1.0
450.48923	0.2
487.14163	0.7
620.15674	0.2
872.85992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.3
70.06549	0.4
71.01344	0.7
71.04985	2.6
73.02540	0.8
73.02915	8.3
76.30355	0.4
81.03429	0.4
81.04070	0.9
81.04531	11.6
83.04973	3.1
85.02903	8.3
87.04473	0.4
89.03898	0.8
94.04068	1.1
97.02885	4.7
98.22661	1.2
99.66523	0.4
105.07059	0.5
106.60702	0.4
107.04954	0.6
109.02879	0.6
111.04435	1.4
115.03969	2.1
117.03382	1.3
127.03902	0.8
129.05447	1.3
130.06494	0.7
133.04996	0.6
133.06322	0.9
135.04404	3.0
135.73526	0.4
140.26434	0.4
144.08080	0.5
145.02870	3.1
145.04919	0.5
146.06017	1.0
146.07086	0.4
147.06471	1.0
151.07555	0.4
154.06511	0.5
158.06047	1.1
163.03897	30.2
164.04218	1.0
164.05676	0.4
164.07082	1.5
169.07538	0.5
171.09175	2.5
172.07539	1.0
176.07025	2.1
181.05022	0.8
181.07553	1.0
183.07927	1.7
184.08667	0.6
186.10249	0.8
198.10262	7.5
199.07144	0.5
199.08678	1.3
200.11705	0.5
208.08672	1.3
209.07072	0.8
210.06607	1.3
211.07373	5.8
214.09767	1.9
216.11310	0.7
224.60733	0.5
226.09723	29.5
227.10104	0.8
244.10799	100.0
245.11214	2.3
256.10638	0.4
280.10254	0.5
286.11838	1.2
307.07916	0.5
325.09143	7.1
376.14868	0.6
390.16531	0.5
406.15991	2.1
522.20917	0.6
550.17743	0.5
568.19208	25.2
569.19458	1.4
700.22821	1.0
714.24237	2.2
846.28888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	41.8
65.61555	1.1
68.05049	1.1
69.03426	11.0
71.05009	1.1
71.42290	1.3
73.02913	16.1
81.03411	3.0
85.02899	85.1
87.04472	1.6
89.54661	1.0
91.03951	54.4
97.02888	36.3
99.04449	5.1
103.03948	2.5
109.02869	7.8
115.03925	3.5
126.60715	1.1
127.03911	44.9
145.04033	0.8
145.04955	53.4
163.06010	100.0
192.25591	1.4
196.31123	1.3
289.09244	2.6
307.10272	1.4
325.11264	41.7
326.11731	1.6
343.12250	1.2
406.13632	1.1
487.16333	1.4
729.03967	1.2
778.14178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	7.2
69.07088	2.4
71.04975	4.2
71.43060	2.6
74.70280	2.3
79.05508	7.9
81.03416	19.3
81.07049	19.1
85.06586	3.4
93.07079	4.6
95.04962	37.1
95.08592	4.4
99.10402	2.4
105.07038	3.8
107.08611	3.3
109.06534	8.7
109.10165	4.4
119.08610	8.2
121.10155	4.9
123.08059	4.5
127.07544	5.1
131.08603	3.8
133.10158	7.1
135.08026	2.9
145.10162	3.8
147.11658	5.3
149.09622	2.7
151.11220	3.6
163.11134	3.0
163.14888	3.1
173.13268	7.2
175.11134	5.2
175.14819	4.0
185.13356	2.7
187.11206	3.4
189.12860	3.5
191.14287	19.1
193.15865	12.8
197.13376	3.2
209.15247	3.2
215.14316	7.6
219.13823	3.8
285.18698	3.3
299.20023	6.0
315.19571	59.2
316.19904	4.2
317.21011	4.7
333.20535	22.3
334.23761	3.7
349.27283	2.5
359.22415	2.5
375.21680	23.9
377.23215	100.0
377.28030	5.7
378.23181	2.8
401.23642	2.4
401.28925	2.5
437.25369	4.2
454.28006	2.7
487.30713	3.0
846.52533	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	847.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87536	0.4
70.06598	1.0
70.71931	0.7
71.73911	0.4
75.84427	0.4
82.59415	0.4
82.73580	0.5
92.04778	0.6
105.11543	0.5
120.23122	0.5
138.01639	0.6
138.05319	0.6
150.07735	0.6
161.06914	0.7
163.08438	2.5
165.10017	0.4
179.08200	0.6
189.09988	2.6
217.09525	1.1
234.12164	0.5
248.13852	1.2
258.12292	1.2
260.10825	0.7
260.13705	7.3
260.16351	0.5
271.14294	0.6
276.13315	0.5
278.14789	0.6
288.13266	1.1
302.18387	0.5
317.16031	0.9
328.16580	1.4
329.15814	0.8
345.15210	0.9
347.17099	0.6
357.18997	1.2
359.17053	0.5
370.20993	0.6
373.21957	3.0
374.16739	0.5
375.16519	0.8
396.19647	0.6
398.21793	0.8
402.21555	0.6
403.19568	0.9
411.20200	0.8
411.86053	0.5
412.19229	0.5
414.20911	0.9
416.22931	0.7
426.21259	1.4
428.22736	1.4
441.21249	1.1
444.22134	4.6
454.20493	0.8
465.24847	0.7
470.23264	0.6
513.28082	1.7
524.28516	1.0
525.28387	0.9
536.28760	1.9
543.29346	2.0
554.29956	0.8
557.30658	1.1
635.35645	0.8
656.37238	0.8
661.32532	0.8
676.35315	0.9
706.35425	1.4
720.37341	0.9
789.42767	2.7
790.44006	0.6
801.43335	2.6
817.42303	1.5
819.43634	6.2
820.44659	0.8
829.41974	2.4
847.43152	100.0
848.43353	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	847.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.8
67.05505	6.3
69.03420	2.9
69.07063	2.3
69.85795	1.1
71.05000	0.4
73.02912	4.1
79.05491	3.5
81.03408	1.8
81.07047	5.6
83.05004	0.7
83.08609	0.6
85.02895	4.1
91.03938	2.8
91.05464	2.9
93.07030	3.9
95.04985	0.9
95.08596	3.6
95.09035	0.3
97.02885	4.1
97.10152	0.5
98.22757	0.6
99.04436	0.7
101.02395	1.5
105.07050	1.5
107.08623	2.1
109.02890	0.8
109.10154	2.1
111.08106	0.5
115.03967	0.5
117.07030	0.5
119.08620	1.1
121.10153	1.5
123.11700	0.5
127.03950	1.2
131.08589	1.0
133.10149	1.1
135.11694	0.8
147.11667	0.6
149.13211	0.5
159.11725	0.7
185.04243	0.9
209.32307	0.4
229.14320	0.7
243.08385	2.6
315.10123	0.4
335.25812	0.6
351.21420	2.7
499.22363	0.5
519.29291	4.6
520.29645	0.6
569.29352	5.5
847.51642	100.0
848.51996	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	848.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24582	1.8
67.05502	3.3
68.75195	2.1
69.03423	12.2
69.07068	10.8
70.06590	5.9
71.04984	7.1
71.44659	1.8
72.08149	3.9
79.05487	8.7
81.03426	4.8
81.07034	6.1
83.04975	31.7
85.02880	6.9
91.05477	11.6
93.07048	14.1
95.04980	14.6
95.08623	4.7
97.02885	100.0
97.06527	26.6
97.73196	1.9
99.04455	6.3
101.06013	2.1
105.07021	24.5
107.04965	6.3
107.08585	8.2
109.02830	2.3
109.06528	5.5
111.04450	3.2
113.05998	2.6
114.10315	2.4
117.07016	6.4
119.04939	2.2
119.08572	5.3
121.06503	25.5
123.04427	3.5
123.08031	3.2
125.05978	45.4
127.03896	5.0
128.06183	2.5
129.07021	3.6
131.08565	15.3
133.06483	6.8
133.10120	4.8
135.04376	4.4
135.08058	3.5
137.05992	4.2
139.07565	3.3
143.07028	40.8
143.08546	7.1
145.02809	3.7
145.06465	9.3
145.10110	38.8
147.04350	4.9
147.08037	4.8
147.11676	4.7
149.05913	3.0
151.07501	7.9
154.07750	2.1
155.08527	3.9
157.10155	3.7
158.07262	4.5
159.08049	8.5
159.11682	20.9
161.09528	2.0
163.03905	5.8
163.07538	3.7
163.11157	10.3
164.04216	2.7
167.08514	2.8
169.06433	3.8
169.08659	3.5
169.10120	6.9
171.08089	4.9
172.08786	2.2
173.09601	34.5
175.07553	3.8
175.11195	2.2
177.05463	5.3
177.12743	7.6
181.04977	3.2
183.07965	2.5
185.08130	2.9
185.09674	5.9
187.07538	6.1
187.11154	24.9
189.09132	3.5
191.10645	16.4
193.04929	2.5
195.06537	6.2
195.11668	3.0
197.09616	3.9
199.11226	2.5
203.10687	2.6
205.08592	7.8
205.12209	30.5
207.06628	2.0
207.10197	2.2
209.11711	8.6
215.07150	3.2
215.10654	28.9
231.34457	2.0
233.08069	4.5
233.11702	35.7
241.12260	2.9
250.11995	2.0
251.12816	16.5
259.13205	4.9
259.92715	2.0
263.02954	2.0
265.12234	4.0
269.11694	4.2
275.16116	2.0
283.13266	10.8
287.12637	3.6
293.11743	7.2
301.14386	8.6
311.12753	12.8
312.15466	2.5
319.15256	4.6
329.13794	32.8
347.14835	50.1
347.18909	3.7
359.15024	3.1
365.15918	19.5
383.16965	26.5
393.23694	2.4
413.18066	3.5
447.03989	2.1
515.20892	4.6
545.22034	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.2
61.02924	11.1
63.04598	0.5
65.03939	3.1
65.66693	0.5
67.05502	100.0
68.05839	0.8
69.03427	3.3
69.07066	7.9
69.21015	3.3
71.04998	4.1
71.81731	0.5
72.82441	0.5
73.02909	3.4
77.03917	0.8
79.05488	22.2
80.06271	0.5
81.03419	2.1
81.07053	42.7
82.07353	0.8
83.04980	1.0
83.08613	9.9
85.02901	15.5
85.06526	3.1
87.04449	0.9
91.03956	10.8
91.04881	0.6
91.05475	15.5
93.07040	29.5
95.04968	3.4
95.08601	29.5
95.09218	1.1
96.04501	0.6
97.02892	8.8
97.06524	1.9
97.10168	1.7
98.22708	1.1
99.04441	1.0
99.08109	0.9
100.49210	0.5
105.07034	8.4
107.08586	17.3
109.02859	0.8
109.06512	1.1
109.10150	80.6
110.10475	1.0
111.08050	3.7
115.03886	0.8
115.05430	0.6
117.07014	2.5
119.08569	14.3
119.76638	0.5
120.08874	0.6
121.10133	13.6
122.57449	0.6
123.08015	0.6
123.11697	4.9
125.09597	1.3
127.03916	3.4
131.08553	5.6
133.10112	6.2
135.11685	9.7
137.09612	3.9
137.13246	1.3
139.11159	0.6
145.04945	4.6
145.10118	4.9
147.11667	3.5
149.13242	5.7
151.11113	0.6
151.14798	0.6
155.10638	6.5
159.11710	4.0
161.13237	3.2
163.06021	5.8
163.14803	3.1
171.11711	0.6
173.11743	19.9
173.13243	4.6
174.12044	0.5
175.14839	1.4
177.16418	0.6
177.72441	0.5
187.14824	2.1
189.11209	1.4
227.12744	5.3
229.14334	97.3
230.14693	2.0
233.22681	0.8
243.21036	6.6
261.22119	22.7
262.22391	0.6
288.69821	0.5
317.24765	4.5
335.25778	81.0
336.26260	3.4
373.18149	0.6
379.30014	1.2
397.31030	2.6
415.31982	1.3
433.33505	0.6
471.34702	2.3
489.35718	73.4
490.36337	3.9
507.36801	6.3
633.39648	0.7
848.48816	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.2
61.02927	12.1
65.03931	3.3
67.05501	87.9
68.61195	0.8
69.03401	2.4
69.07070	7.6
71.04980	2.2
73.02910	4.6
79.05489	17.4
81.03407	1.3
81.07053	32.2
82.07380	0.9
83.04958	1.6
83.08607	8.2
85.02901	13.8
85.06532	2.3
86.92213	0.7
91.03957	7.9
91.05467	12.7
93.06454	0.9
93.07043	20.8
95.04985	2.2
95.08602	25.3
97.02884	5.9
97.06510	1.2
97.10158	2.4
98.22704	2.0
99.04428	1.1
105.07010	6.6
107.08587	12.9
109.06492	1.1
109.10149	71.6
110.10474	1.0
111.08077	2.5
115.03882	1.2
117.06998	3.2
119.08571	8.9
119.98183	0.7
121.10135	9.3
123.08071	0.9
123.11710	4.1
125.09682	0.9
127.03899	4.5
131.08549	4.8
133.10123	4.1
135.11678	7.0
137.09607	3.9
137.13225	1.9
145.04970	3.8
145.10146	4.5
147.11668	3.1
149.13246	4.3
155.10672	6.7
159.11687	2.7
159.79060	0.8
161.13243	3.0
163.06035	5.9
163.14784	3.1
173.11748	20.9
173.13225	2.7
175.14847	0.9
187.14813	2.0
227.12743	7.1
229.14337	100.0
230.14694	3.2
243.21062	5.2
261.22107	18.9
262.22565	1.1
317.24750	3.2
335.25784	66.5
336.26141	2.8
369.31070	0.9
379.29736	1.4
397.30994	2.0
415.31879	2.0
435.31000	0.7
462.06815	0.8
471.34708	2.4
489.35709	44.1
490.35931	2.9
507.36835	6.8
770.30286	0.7
784.77643	0.7
848.49835	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	848.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	9.2
67.05507	27.4
69.07080	4.3
71.07382	11.2
79.05506	10.2
81.07056	21.3
86.09700	57.1
91.05500	7.0
93.07042	18.2
95.08595	14.7
104.10748	89.8
105.07017	4.3
106.12833	3.0
107.08590	8.9
109.10171	4.3
121.10182	6.3
133.10039	2.9
146.98180	53.0
184.07356	12.4
216.97871	4.6
220.95209	3.2
241.43150	3.9
317.18039	4.9
335.25790	17.0
349.16776	6.7
357.24124	4.3
360.29248	3.4
453.17065	3.1
481.23322	59.8
497.76181	2.9
537.70758	3.0
540.30597	100.0
541.30701	5.0
848.47876	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	850.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.6
69.03425	2.6
69.31253	0.3
69.31570	1.1
71.01346	1.0
71.04628	0.3
71.04987	3.2
72.54942	0.2
73.02911	3.5
75.04472	0.4
78.17064	0.2
79.05475	0.3
79.21983	0.2
81.03394	0.9
83.04984	2.3
85.02899	8.2
85.90139	0.2
87.00841	0.2
87.04459	0.6
89.03918	1.2
95.04934	0.4
97.02885	4.0
97.06598	0.2
99.04453	0.6
101.02435	0.3
103.03911	0.3
105.03358	0.2
106.06536	0.5
107.04907	0.5
109.02867	0.4
111.04427	2.3
113.02375	1.4
115.03892	0.8
117.03361	1.2
123.04421	0.2
123.09155	0.3
127.03873	0.8
129.05450	1.2
131.03406	1.5
133.02840	2.3
133.05016	0.2
133.07620	0.3
134.06012	0.5
135.04419	3.3
139.03911	0.4
145.02838	2.6
145.07599	0.5
147.06485	0.5
151.08646	2.5
157.04970	0.3
160.06270	0.6
161.07053	0.8
163.03889	24.7
164.04279	0.7
173.07098	8.9
173.90671	0.2
174.05502	0.2
174.07707	0.7
177.05533	0.3
179.03316	0.3
181.04951	0.7
185.07069	0.3
186.07802	0.2
187.08644	2.0
191.08134	62.2
192.08463	1.6
204.08908	0.2
205.09702	2.9
214.09717	0.5
215.05553	0.3
215.06175	0.3
215.08145	1.7
231.07617	0.4
232.10791	5.5
233.09186	67.3
234.09544	1.9
243.07693	0.2
244.10751	0.4
248.10323	0.5
250.11841	100.0
251.12184	2.7
257.09155	0.7
260.10278	0.2
274.11819	0.5
275.10187	1.1
277.86356	0.3
281.09140	0.2
292.12891	1.3
299.10095	0.4
307.07782	0.3
308.57324	0.2
316.13013	0.4
325.09152	5.7
341.10947	0.3
358.14163	0.6
376.14908	0.7
379.14932	0.3
396.17618	1.0
405.13010	0.2
412.17191	1.3
422.15433	1.1
508.19189	0.4
526.20288	1.8
572.18713	10.3
573.18982	0.7
574.20276	4.2
575.20581	0.4
718.24506	0.5
850.29468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.3
61.02920	0.7
61.76886	0.2
69.03424	2.4
69.42342	0.8
69.42761	0.4
71.01349	0.7
71.04984	2.9
73.02914	3.2
73.37022	0.2
75.04475	0.4
77.03941	0.2
79.45854	0.2
81.03394	1.2
83.04981	2.5
85.02899	8.6
86.66716	0.2
87.04451	0.5
89.03886	1.1
95.04967	0.4
97.02900	3.4
99.04451	0.5
101.02342	0.3
105.03382	0.6
106.06552	0.7
107.04939	0.5
109.02847	0.5
111.04426	1.9
113.02349	1.4
115.03912	0.6
117.03346	1.2
118.97070	0.3
119.25251	0.2
123.04430	0.4
127.03915	0.6
129.05496	1.2
129.06317	0.3
131.03369	1.3
133.02858	2.4
133.04965	0.4
134.05995	0.4
135.04399	3.5
139.03859	0.4
145.02846	2.9
145.07620	0.3
146.06009	0.3
147.06525	0.6
151.08659	2.3
157.05045	0.3
160.06316	0.9
161.07002	0.6
163.03891	24.6
164.04315	0.3
173.05597	0.5
173.07088	9.2
174.07803	0.7
181.04933	0.4
187.08650	2.2
191.08133	59.3
192.08481	1.3
193.23631	0.3
202.17041	0.2
204.11317	0.4
205.09691	3.3
214.09685	0.3
215.08124	2.1
227.08228	0.3
229.09897	0.2
232.10809	4.7
233.09183	66.4
234.09479	2.1
244.10753	0.4
247.10825	0.3
248.10362	0.4
250.11838	100.0
251.12144	3.0
257.09204	0.5
260.10266	0.2
275.10251	1.1
292.12857	0.9
299.10159	0.3
325.09161	5.6
341.11325	0.5
358.13971	0.4
375.96716	0.3
376.14972	0.6
382.15994	0.4
396.17709	1.3
405.12643	0.5
412.17096	1.1
422.15552	1.6
526.20374	2.1
572.18738	11.2
573.18848	1.0
574.20251	4.0
633.65466	0.3
718.24518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02092	0.4
61.02905	0.5
65.03940	2.6
66.04726	1.0
67.05508	1.2
67.82018	0.4
68.02662	0.5
68.99812	0.7
69.03429	4.4
70.01366	1.3
71.01326	0.7
71.04964	1.3
73.85740	0.4
75.04487	0.5
77.03931	1.2
79.05499	1.9
81.03414	7.7
81.07057	0.7
85.02903	6.3
87.00824	2.7
91.05480	7.0
93.03411	0.7
94.04199	3.2
95.04956	4.2
97.02881	3.0
99.04451	1.3
102.04690	0.6
103.05460	34.5
104.18367	0.5
105.01844	1.4
105.03374	0.4
105.04505	1.0
105.07016	2.6
107.04935	4.2
108.02078	1.3
109.02871	8.0
109.06514	1.8
110.03702	0.6
111.04440	0.9
113.05974	2.3
115.03902	0.9
115.05452	5.0
117.03375	0.5
117.07013	4.5
118.04148	3.8
119.04153	0.9
119.04939	9.2
120.05742	0.9
121.06506	1.1
122.03648	6.0
123.04440	2.2
124.05186	0.6
125.02303	0.5
125.05972	1.6
127.03898	4.1
128.06213	1.3
129.06999	2.1
130.04153	1.0
131.04919	56.2
132.05640	0.6
133.02846	1.9
133.06508	4.6
134.03595	0.5
135.04433	0.8
135.08044	2.0
137.05966	100.0
138.06288	1.1
139.07430	0.7
141.05482	1.3
143.04912	3.0
144.05649	0.7
145.04964	1.2
145.06470	5.3
146.03593	0.9
147.04387	6.4
147.08017	1.3
148.05182	9.2
149.06006	3.7
151.03900	66.4
151.04977	5.3
151.07504	9.4
152.04266	0.8
153.05460	3.4
155.05978	0.7
157.06502	2.3
159.02867	0.7
159.04366	1.1
159.08023	0.8
160.05173	2.5
160.79178	0.5
161.05942	5.2
161.07149	0.5
162.06743	1.8
163.07526	57.6
164.07921	0.6
165.05463	1.5
165.09120	1.1
167.07014	8.7
169.06506	0.6
171.04375	0.9
171.06451	0.9
173.05956	5.8
174.06807	1.2
175.07529	13.4
176.04684	2.1
177.05461	6.1
177.09062	1.4
178.06198	0.6
179.07024	13.3
179.08551	0.5
181.04947	15.3
181.08546	2.1
185.05965	0.5
187.07547	4.6
189.03899	1.0
189.05467	1.6
189.09122	2.6
190.06215	1.6
191.07016	69.0
192.07478	0.9
193.04906	1.1
193.08589	1.9
194.07228	0.5
199.07500	0.7
201.05316	0.6
203.06978	4.4
205.06693	0.9
205.08565	14.1
207.06369	0.6
207.08115	0.8
207.10141	1.2
209.08017	2.5
210.06670	0.6
211.07497	1.0
213.08902	0.6
215.07036	2.1
217.08540	5.5
219.10110	1.8
221.06064	0.7
221.08008	2.0
223.07542	0.7
223.09644	1.1
227.07036	0.9
229.08528	0.8
231.04968	1.5
233.05899	0.8
233.07967	3.6
234.06761	0.7
235.07426	1.4
235.09601	8.1
237.09073	2.0
239.07066	0.8
241.08475	1.5
245.08116	1.6
247.07372	0.8
247.09625	1.1
249.09045	0.9
251.06903	0.8
257.08005	0.7
259.09650	1.4
263.09152	11.1
265.10776	7.4
266.09271	0.6
267.10138	0.8
269.08035	1.8
269.11407	0.6
276.08008	0.6
277.08536	1.5
278.09201	0.5
278.91647	0.5
283.09604	0.6
284.10324	0.8
287.09177	2.0
293.08002	0.8
294.89081	0.5
295.09601	1.6
297.11148	0.9
299.12683	1.0
305.10306	0.8
309.11176	1.7
312.09695	0.7
321.11203	0.8
325.10724	1.4
327.12186	1.4
329.13831	1.7
337.10562	1.3
339.12106	1.0
341.13742	1.3
351.12201	0.9
353.13797	1.6
355.11752	5.8
359.14874	1.7
363.62225	0.5
369.13342	2.9
371.14789	4.6
385.16388	1.1
387.14340	22.0
409.10886	0.8
427.12024	0.7
502.16031	0.6
517.18604	7.8
519.20197	1.1
549.21198	4.0
551.22449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42560	0.4
65.03929	1.4
67.05492	1.0
69.03410	1.2
69.11152	2.4
72.93889	0.3
73.31674	0.3
74.33192	0.4
77.03938	0.4
78.64866	0.3
79.05473	1.6
81.03418	2.0
81.07069	0.5
85.02894	2.5
89.03947	0.5
91.05470	3.4
92.06342	0.3
94.04150	1.2
95.01319	0.3
95.04951	3.5
97.02901	0.8
97.06478	0.5
98.22733	0.8
103.05460	13.9
105.01850	0.4
105.03394	1.2
105.04483	0.4
105.07039	2.4
107.04947	3.5
108.02093	1.1
109.02884	0.8
109.06515	0.8
111.04440	1.0
115.05454	2.3
117.07026	2.8
118.04149	2.6
119.04938	3.9
121.06463	1.0
121.10114	0.3
122.03664	2.7
123.04433	1.7
124.05196	0.4
125.05997	1.9
127.03889	1.3
128.06180	0.9
129.06995	1.6
130.04137	0.8
131.04918	27.3
132.05711	0.5
133.02809	2.2
133.06471	3.8
134.03658	0.4
135.04417	0.9
135.08025	1.4
137.05965	54.5
138.06297	1.6
139.07520	0.5
141.05438	1.5
143.04897	1.8
144.05667	0.8
145.04955	0.4
145.05385	0.5
145.06458	3.8
146.03636	0.6
147.04413	4.3
147.08014	1.0
148.05182	7.3
149.05992	1.1
151.03894	76.2
151.04964	4.5
151.07521	1.4
152.04323	1.2
153.05438	2.2
157.06480	1.1
159.04440	0.6
159.08034	0.7
160.05206	1.0
161.05965	3.6
162.06836	0.4
163.03885	4.2
163.07530	18.3
164.07970	0.4
165.05458	2.9
165.09113	0.9
167.07019	9.5
171.04422	0.8
171.06552	0.6
173.05956	2.7
174.06723	0.6
175.07530	5.0
176.04659	1.3
177.05476	2.6
177.09109	1.1
178.05927	0.4
179.07036	4.8
179.08475	0.6
181.04941	17.1
181.08569	0.8
187.07506	2.7
189.05423	1.5
189.06982	0.4
189.09077	1.4
190.06247	0.6
191.07011	100.0
192.07387	2.2
193.04878	1.1
193.08623	2.1
193.10103	0.5
195.06500	0.9
195.08095	0.7
201.05431	0.8
201.09088	0.8
203.07027	3.8
205.06633	0.7
205.08510	4.0
207.08240	0.7
207.10126	1.0
209.08055	4.3
211.07507	0.5
213.09042	1.1
215.07028	0.6
217.08492	1.0
219.08275	0.5
219.10104	2.1
221.08064	1.2
223.07588	0.4
223.09662	1.3
225.09174	0.5
227.07112	0.7
231.06499	0.4
231.10156	0.4
233.05965	0.5
233.08057	3.8
234.06714	0.9
235.07411	0.9
235.09650	3.5
237.09058	1.8
239.10814	0.4
245.05884	0.4
245.08112	1.6
247.07449	0.5
249.09099	1.3
253.08473	0.4
259.09726	0.8
263.09131	20.8
265.08511	1.3
267.10150	1.0
269.07849	0.4
276.08377	0.4
277.08536	1.3
279.10184	0.6
280.07248	0.4
280.57999	0.4
281.11884	0.5
281.52759	0.3
282.08704	0.4
284.10556	0.5
293.07977	0.5
295.09717	1.2
297.11169	1.3
299.12695	0.8
305.08392	0.4
307.09744	0.7
309.11130	1.3
314.11407	0.5
323.09283	0.4
325.10590	1.4
327.09109	0.4
327.12350	3.1
329.13773	1.8
337.10672	1.7
339.12366	1.1
341.13846	0.8
351.12173	1.6
355.11694	9.2
356.12213	0.4
357.13248	1.5
359.14905	2.1
369.13342	5.6
373.12756	0.4
387.14334	49.2
388.14578	2.3
517.18884	2.3
548.49915	0.4
549.20972	1.4
558.20734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	7.4
69.87153	0.7
70.06592	25.9
71.08628	4.7
72.08141	0.9
82.82682	0.7
83.07272	0.7
84.08160	1.0
85.10159	1.0
86.09720	1.4
88.07629	30.6
98.09687	5.9
102.08517	1.5
102.09175	21.3
104.10715	0.7
104.64073	0.6
116.10741	2.3
121.02868	2.5
131.04985	1.0
133.02837	0.9
139.03920	2.1
146.11688	0.8
147.04384	2.0
149.02344	100.0
149.03455	10.7
150.02667	1.8
175.03940	2.6
177.05438	1.9
184.07356	0.9
191.07137	1.6
193.04961	50.1
196.07350	2.1
212.23779	1.1
219.06523	2.8
237.07567	8.5
239.75195	0.9
256.26346	61.1
257.26682	1.4
300.29080	1.8
313.07272	1.1
334.10873	0.9
341.06567	3.9
343.08270	1.2
359.07709	1.7
385.09137	8.5
386.09222	0.8
411.10611	1.1
429.11990	2.1
533.10779	2.0
577.13226	9.4
621.16003	13.1
832.39178	1.6
850.39990	87.9
851.39978	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	851.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16925	1.0
71.01655	1.7
77.92895	1.1
79.28743	0.9
119.32549	1.0
124.15267	1.0
138.17564	1.0
174.12698	1.1
177.87134	1.2
185.04253	4.6
203.05232	5.5
236.12897	1.0
305.08698	3.6
347.09445	18.4
365.10532	36.5
366.11087	1.5
407.10980	2.6
437.12671	2.6
467.13962	3.8
509.14621	8.6
527.15796	63.8
528.16052	2.7
569.16205	2.6
629.18921	3.8
671.20172	4.0
689.21057	63.4
690.21509	3.3
826.56555	1.2
851.26263	100.0
852.26996	6.2
872.67328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54433	0.9
61.02910	5.1
62.37880	1.0
67.05494	9.4
68.99783	3.3
69.03418	24.8
69.06744	1.4
69.07060	11.1
69.17850	3.8
69.18251	2.8
69.74203	1.0
71.04980	4.3
73.02917	5.1
79.05479	7.9
81.03410	30.8
81.07048	31.2
83.04973	1.5
83.08617	3.6
85.02895	67.8
87.00280	1.9
87.00820	35.1
91.03932	1.8
91.05463	7.9
93.07032	13.0
95.04939	4.5
95.08597	25.0
97.02882	40.8
97.06497	1.1
97.10152	4.6
98.03211	1.3
99.04439	12.3
99.64072	0.9
103.03953	1.4
103.93486	1.0
105.01852	35.1
105.07015	22.3
107.04900	1.3
107.08578	18.0
109.02865	48.9
109.03624	2.4
109.06528	1.2
109.10146	29.0
111.04451	2.2
111.11678	5.1
115.03940	1.9
117.01837	2.1
117.07013	3.7
119.08566	30.8
121.10130	14.9
123.04443	1.8
123.11695	10.0
125.02356	1.5
127.03901	69.2
129.01797	3.4
131.08530	7.0
133.10115	23.3
135.04388	1.1
135.11658	12.5
137.13222	2.7
139.24319	0.9
143.08551	2.9
145.04944	22.5
145.10100	16.0
147.02901	2.4
147.11665	40.8
148.11989	1.3
149.13231	14.0
151.03880	2.2
151.11180	1.3
154.29402	1.0
156.64110	1.0
157.10094	4.5
159.02866	12.2
159.11685	22.9
161.13232	31.6
161.14520	2.1
162.13618	1.1
163.03914	5.9
163.14812	9.7
165.12714	2.5
169.04848	1.6
169.10098	1.6
171.11703	3.2
173.13245	22.3
175.14804	38.0
177.16354	3.0
179.10640	1.9
183.11589	1.4
185.13229	3.4
187.14801	14.3
189.03932	6.6
189.12819	1.2
189.16312	3.7
191.08113	3.8
191.10692	1.3
193.04997	2.6
193.12219	27.0
193.15999	1.5
199.14809	2.1
201.16357	15.4
203.14342	1.7
205.12242	4.9
207.13747	11.1
211.14792	1.9
213.03920	16.9
213.16351	1.8
215.17949	4.5
217.13313	3.0
219.13843	5.6
221.15326	26.1
225.16284	1.5
229.19414	2.9
231.04956	27.5
233.06949	1.2
233.09198	3.6
233.15295	5.9
235.06090	1.2
235.14404	13.3
235.16742	1.9
241.19487	2.4
243.21144	2.8
245.22585	1.3
247.16888	3.3
249.05998	7.5
250.11839	7.6
253.07072	2.2
255.21184	2.7
257.22607	100.0
258.22916	3.0
267.21024	1.8
269.22662	1.5
272.33475	1.0
273.05960	10.2
275.23624	5.0
285.22067	8.5
299.23657	1.6
301.21555	2.8
303.23141	89.1
304.23483	4.1
313.21625	1.2
315.06985	1.2
321.24127	2.0
325.08969	1.5
339.06989	3.4
357.08032	3.9
365.24756	1.5
373.55017	1.1
393.24146	4.1
411.25366	1.8
443.08197	2.5
461.08997	5.4
469.25745	3.8
479.10260	2.8
487.26950	6.7
505.27866	20.8
515.26160	2.1
533.27283	6.5
551.28149	2.4
611.41766	1.1
746.05310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
61.31174	2.7
67.05509	17.1
68.99785	4.9
69.03431	42.2
69.07070	17.0
69.32848	2.0
69.88731	5.5
69.89097	4.4
71.05006	6.3
73.02920	8.0
79.05489	21.9
81.03416	43.8
81.07056	79.3
83.05000	3.0
83.08614	5.8
85.02904	97.1
85.03420	4.9
87.00831	44.9
87.04455	2.9
91.03970	3.3
91.05474	9.1
93.07050	20.4
95.04974	7.2
95.08607	53.2
97.02891	61.4
97.10197	8.0
98.23389	4.6
99.04457	15.4
103.03944	3.3
105.01870	55.6
105.07027	25.8
107.04962	2.4
107.08597	27.2
109.02880	66.0
109.06516	4.0
109.10163	35.4
111.04462	7.6
111.11720	5.1
113.40849	2.5
115.03942	4.0
117.07030	3.3
119.08583	54.1
121.06568	2.2
121.10134	22.8
123.04450	4.1
123.08054	4.7
123.11694	14.8
124.57323	2.7
125.09651	2.9
127.03916	99.9
129.01865	6.6
131.08569	9.8
133.10120	38.0
135.04442	3.9
135.11705	17.6
135.12599	3.3
137.13245	3.5
143.08597	5.7
145.04945	21.4
145.10130	21.7
147.02882	4.3
147.11697	49.6
149.09761	2.7
149.13260	19.5
151.03917	3.9
151.11107	2.3
155.08589	3.0
157.10091	6.6
159.02888	20.5
159.11694	30.9
161.13272	45.4
163.03923	10.3
163.14857	15.4
169.04996	4.1
171.06448	2.6
171.11694	5.0
173.13251	32.0
175.14819	62.0
177.03937	2.7
177.16431	9.3
185.13313	7.2
187.14789	26.1
189.04027	7.1
189.16376	3.9
193.04907	2.6
193.12236	30.1
197.13315	3.8
199.14813	6.1
201.16365	20.8
205.12230	6.5
207.13777	18.7
213.03946	27.7
215.14349	2.9
215.18015	5.1
219.13889	7.9
221.15361	44.4
225.16493	3.1
229.19603	6.6
231.05000	38.4
233.15225	4.0
241.19643	3.1
243.21152	3.2
245.22479	5.0
249.05975	13.1
255.21048	5.1
257.22641	100.0
267.20911	4.1
273.06110	10.9
275.23715	4.4
281.22687	2.7
285.22214	6.9
301.21844	4.3
303.23190	84.9
304.23441	4.9
339.07086	8.6
347.23798	4.8
357.08081	4.1
365.24777	5.6
393.24365	4.6
402.68100	2.6
411.25244	2.6
443.08072	2.6
461.09125	10.5
469.25870	3.9
479.10217	5.4
487.26740	10.6
500.98843	2.8
505.27933	49.6
515.26587	3.7
533.27454	10.3
537.49323	2.7
551.29358	3.3
753.17059	2.9
843.45270	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51473	0.3
67.05479	0.4
69.03421	1.4
71.04986	2.6
73.02909	3.4
81.03416	0.6
83.04967	1.0
85.02906	3.9
89.03916	1.4
94.90112	0.4
97.02895	4.4
107.04955	0.8
109.02878	0.5
111.04453	0.9
111.64029	0.4
112.16568	0.3
115.03941	0.8
117.03372	1.6
129.05460	1.0
135.04420	4.0
138.69865	0.5
145.02843	3.9
145.05142	0.3
146.06018	0.4
163.03896	29.5
164.04260	1.6
173.07112	2.0
174.05470	1.6
175.06259	2.3
176.07034	0.7
181.04971	1.0
188.07074	0.5
189.04176	0.5
191.08141	9.2
192.08427	1.5
201.04079	0.6
206.08119	25.9
207.08411	0.7
216.06519	1.2
232.10718	0.5
233.09177	6.6
234.07579	32.1
234.09442	1.9
235.07906	0.5
250.11873	7.7
251.10239	100.0
252.10574	2.5
280.99490	0.4
325.09128	7.5
326.09521	0.9
328.87460	0.4
388.87558	0.4
397.16055	0.8
413.15762	0.5
574.19495	0.8
575.18658	3.2
776.22235	0.4
798.67609	0.4
853.26709	0.7
877.01306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.0
67.38192	0.8
69.03425	5.8
69.34155	4.8
69.34490	0.8
71.01354	1.3
71.04977	6.2
73.02911	14.4
81.03409	1.6
83.04977	6.1
85.02896	13.2
87.04473	1.0
89.03914	2.1
94.25304	0.8
95.02406	0.9
97.02883	9.8
106.06545	1.2
111.04423	2.4
113.03489	1.1
115.03942	2.0
117.03372	3.0
129.05467	2.3
133.04980	1.4
134.05989	1.3
135.04410	6.7
145.02831	7.8
145.32982	0.8
147.06505	0.9
151.08659	5.8
160.06366	1.3
163.03893	56.6
163.55415	0.8
164.04265	4.0
173.07106	11.4
177.05435	1.5
181.04942	2.5
186.07825	0.9
187.08633	2.6
191.08138	62.4
192.08519	4.8
205.09721	4.0
215.08160	3.0
232.08374	1.4
233.09189	62.6
234.09502	6.2
249.08646	1.4
250.11858	12.2
251.10222	100.0
252.10576	2.0
275.10236	3.2
293.11307	3.2
325.05716	1.4
325.09146	9.1
326.09290	1.1
329.11249	1.1
342.95410	0.9
361.13858	1.6
377.13306	1.7
397.15958	5.4
510.32736	1.0
529.20398	1.4
575.18689	11.5
584.27808	1.0
655.10577	0.9
721.23840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54872	0.3
61.02923	6.6
67.05502	6.0
69.03423	4.5
69.07067	0.6
71.05003	0.5
73.02911	5.0
73.03286	0.4
79.05499	1.9
81.03427	1.7
81.07050	3.4
81.07454	0.4
83.08603	0.4
84.78288	0.3
85.02908	7.0
85.03414	0.5
87.04460	0.5
91.03946	4.2
91.04416	0.4
91.05479	1.6
93.07045	2.0
95.04980	0.6
95.08598	2.4
97.02892	7.3
97.03478	0.5
99.04475	0.9
101.02390	2.1
105.07043	0.9
107.08615	1.3
109.02906	0.9
109.10143	3.6
115.03973	0.6
119.08636	0.7
121.10181	1.0
127.03912	2.0
131.08548	0.5
133.10190	0.4
135.11690	0.6
137.09618	0.3
145.04997	0.5
149.13301	0.4
173.11798	0.4
185.04172	0.5
195.09976	0.7
203.05302	0.9
228.92876	0.4
229.14447	0.4
243.08430	1.9
331.40295	0.3
335.25897	0.8
347.09406	2.8
363.08954	0.6
365.10724	1.2
405.13641	5.8
413.17862	4.8
421.13202	0.4
519.29230	5.6
528.45428	0.3
566.10608	0.3
575.23151	4.3
681.34491	7.8
681.45422	0.6
682.35229	0.6
691.40509	1.6
720.76611	0.3
746.77167	0.3
853.45441	100.0
854.45856	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	853.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.0
63.60367	0.4
67.05502	7.0
68.07741	0.3
69.03430	4.4
69.07084	0.6
69.42187	2.1
71.01356	0.5
71.04995	1.0
73.02910	5.8
78.50945	0.4
79.05506	1.4
81.03409	2.0
81.07047	2.7
82.31102	0.4
83.08637	0.5
85.02900	7.9
87.04478	0.4
91.03955	4.4
91.05487	1.8
93.07034	2.1
95.05032	0.5
95.08590	1.9
97.02892	6.5
97.80560	0.4
99.04461	1.3
101.02365	3.2
105.07027	0.8
107.08615	1.7
109.02900	0.8
109.10141	6.2
109.10786	0.5
115.03932	0.6
119.08588	0.7
125.51794	0.4
127.03917	2.7
129.41318	0.4
131.08615	0.5
131.31303	0.4
140.65126	0.4
145.04930	0.6
155.10667	0.7
173.11716	2.1
185.04256	1.4
195.10040	0.7
197.16267	0.4
203.05312	0.9
219.19243	0.4
229.14444	1.2
243.08281	2.6
244.22859	0.4
251.12749	0.4
283.55530	0.4
291.03952	0.5
335.25870	0.5
347.09436	3.8
363.09018	1.0
365.10672	1.4
405.13693	7.8
405.18680	0.5
413.17770	11.1
414.18011	0.7
519.29169	4.8
520.29712	0.5
575.23102	10.3
681.34503	4.7
691.40009	2.4
721.91022	0.5
853.45453	100.0
854.45825	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	19.5
65.03934	4.6
65.90695	1.5
67.05501	100.0
69.03413	6.0
69.07063	17.4
69.38444	8.8
71.04981	7.4
73.02916	7.0
79.05490	41.1
80.07309	1.6
81.03410	14.0
81.07053	81.1
83.04980	8.6
83.08614	20.6
85.02901	35.8
85.06540	6.5
87.04453	3.7
91.03954	15.3
91.05475	29.7
93.07045	46.4
95.04964	8.4
95.08601	20.4
97.02884	12.8
97.06531	10.3
97.10158	13.4
99.04471	4.2
105.04493	3.2
105.07031	12.8
107.04942	5.4
107.08588	30.6
109.06515	4.5
109.10158	47.9
111.08081	7.8
116.04757	2.2
117.06991	9.5
119.08567	9.1
121.06522	1.9
121.10126	12.8
123.08085	2.6
123.11694	5.7
125.09612	12.4
127.03925	6.0
129.05457	5.9
131.08548	11.0
133.10126	15.0
135.08038	3.5
135.11723	11.3
137.09665	2.5
143.10693	2.8
145.04938	6.4
145.10115	4.2
147.11653	5.8
149.13228	12.4
150.79044	1.5
151.11166	2.5
153.12680	2.0
155.10658	3.3
159.11699	7.9
163.05997	5.6
163.07324	1.6
163.11163	7.0
165.12796	2.0
173.11742	14.9
177.12730	4.8
181.12148	2.0
191.10657	3.1
193.12238	3.7
195.13745	13.8
195.71393	1.5
199.13271	4.6
201.14938	2.0
209.11717	5.8
211.13385	3.2
213.14767	2.3
227.12788	8.1
229.14333	52.6
230.14743	1.9
239.16386	3.6
257.13867	7.6
265.14249	2.1
267.15826	8.8
269.17447	72.9
270.17984	2.2
283.15347	8.3
301.16434	17.6
341.82944	1.7
357.24173	1.9
393.26483	2.2
411.27219	7.3
423.27417	52.7
424.27594	2.6
437.28683	3.6
449.28946	1.8
450.86642	1.9
463.30341	6.4
477.28134	5.1
495.29227	93.2
496.29849	6.2
513.30658	31.0
553.53278	2.0
585.69666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	16.4
65.03946	3.6
65.53463	1.4
67.05503	100.0
69.03422	5.6
69.07063	16.7
71.01349	1.6
71.04990	5.7
73.02905	7.4
79.05047	2.6
79.05490	40.5
81.03412	15.6
81.07053	71.9
81.54594	1.6
83.04981	8.6
83.08620	21.3
84.33961	1.4
85.02901	31.4
85.06544	4.9
87.04451	4.3
91.03954	13.4
91.05476	29.0
93.07043	43.9
95.04974	9.7
95.08612	19.2
97.02906	13.2
97.06527	10.1
97.10170	15.2
99.04465	1.6
103.03973	2.4
105.04518	3.3
105.07025	11.1
107.04941	4.9
107.08591	27.1
109.06528	3.7
109.10152	52.3
111.08069	6.3
111.50617	1.4
113.06004	1.8
115.62998	1.4
117.07016	9.1
119.08590	10.3
121.06506	2.4
121.10149	12.8
123.08070	3.3
123.11710	3.5
125.09613	12.5
127.03967	8.6
129.05481	5.2
129.06934	1.7
131.08583	8.3
133.10103	10.6
135.08087	3.3
135.11691	10.3
137.09581	2.3
143.10599	1.6
145.04951	5.9
145.10124	4.5
147.08080	2.6
147.11684	5.1
149.09557	2.7
149.13280	14.1
153.12711	2.5
155.10675	3.0
157.10175	2.1
159.11668	9.0
163.06029	6.0
163.11137	7.8
165.12708	3.9
173.09598	2.1
173.11716	15.2
177.12726	4.3
181.12267	2.3
191.10721	3.3
193.12302	6.3
195.13797	13.6
199.13344	6.0
209.11755	6.2
211.13272	5.4
213.14835	3.0
227.12808	8.2
229.14340	53.6
239.16365	3.9
267.15906	12.7
269.17453	54.2
270.17874	2.2
283.15326	9.1
285.17044	2.4
301.16467	18.5
323.18445	2.1
357.24100	2.1
393.26404	1.9
411.27283	6.0
423.21967	2.9
423.27414	39.0
424.27652	2.1
431.27829	2.8
449.28986	2.4
477.28329	3.5
495.29498	94.0
496.29831	4.2
513.30609	32.6
514.31769	1.6
621.17169	1.6
678.80536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86900	1.1
61.02925	4.8
65.03950	2.6
67.05502	48.4
68.05854	1.3
69.03432	11.7
69.07065	32.0
71.04440	1.1
71.04987	4.7
71.43853	1.4
73.02918	2.5
79.05489	46.6
81.03407	9.4
81.07053	44.6
82.07409	1.1
83.04970	10.7
83.08616	13.3
85.02891	6.4
85.06550	3.2
87.36615	1.2
91.03970	1.8
91.05480	34.8
93.07041	35.8
93.07603	1.9
95.01357	1.1
95.04965	15.6
95.08600	24.2
97.02892	12.5
97.06525	10.7
97.10157	15.5
99.08079	2.3
99.99053	1.0
103.05457	1.7
105.04551	2.8
105.07030	29.4
105.07737	1.8
107.04951	9.6
107.08591	29.9
109.02885	2.2
109.06513	5.9
109.10142	13.7
111.04433	2.0
111.08113	4.6
113.09700	1.1
117.07021	14.3
119.08569	21.5
121.06507	6.4
121.10141	10.3
123.08078	4.4
123.11687	2.5
125.09622	10.9
127.03951	2.9
128.06226	1.7
129.05544	1.1
129.06989	7.3
130.07870	1.6
131.08546	14.2
133.06509	4.4
133.10127	16.2
133.11028	1.5
135.08078	5.2
135.11707	9.3
137.09645	3.1
139.47716	1.0
142.07762	1.2
143.08530	5.3
144.09363	1.1
145.06480	1.2
145.10120	13.3
146.07277	1.5
147.08072	6.2
147.11658	6.3
149.09618	8.0
149.13239	7.7
151.11223	1.4
155.08601	2.7
157.08890	1.2
157.10159	4.1
157.65755	1.0
159.08099	1.3
159.11661	10.3
161.09694	3.7
161.13275	2.6
163.11159	5.7
165.09178	1.9
169.10144	2.6
171.10365	1.9
171.11737	4.7
173.09653	1.1
173.11902	1.6
173.13319	4.7
175.11230	4.1
177.12814	4.4
179.14363	1.5
183.11787	1.7
185.13347	1.2
187.11110	1.6
189.11234	6.7
189.12770	2.3
193.12294	1.7
195.13896	4.2
197.13335	1.4
199.14854	1.1
201.12727	1.1
205.12392	1.3
223.13261	14.9
227.12761	13.1
229.19608	1.6
239.18028	2.9
243.08386	1.7
245.19051	1.2
249.15010	4.0
251.16612	1.1
253.14502	2.9
255.15707	6.3
257.18915	7.0
260.84805	1.2
267.16000	1.6
269.17450	16.1
273.18506	16.4
275.20071	22.3
291.19525	100.0
292.19803	2.7
293.21085	2.6
309.20599	1.4
329.21329	1.5
331.23062	1.5
347.22287	3.0
349.23776	18.9
365.23190	46.0
366.23691	1.8
367.25217	1.1
401.22873	1.1
405.13602	2.4
406.14093	2.0
414.18326	1.7
519.34198	1.2
541.35059	3.2
543.36847	1.6
545.34741	14.3
546.34406	1.3
559.36328	41.6
560.36877	2.3
576.23450	2.1
621.42133	2.4
639.42627	28.4
640.42499	2.4
657.43646	4.0
682.35040	3.7
854.45709	60.1
855.46143	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86900	1.1
61.02925	4.8
65.03950	2.6
67.05502	48.4
68.05854	1.3
69.03432	11.7
69.07065	32.0
71.04440	1.1
71.04987	4.7
71.43853	1.4
73.02918	2.5
79.05489	46.6
81.03407	9.4
81.07053	44.6
82.07409	1.1
83.04970	10.7
83.08616	13.3
85.02891	6.4
85.06550	3.2
87.36615	1.2
91.03970	1.8
91.05480	34.8
93.07041	35.8
93.07603	1.9
95.01357	1.1
95.04965	15.6
95.08600	24.2
97.02892	12.5
97.06525	10.7
97.10157	15.5
99.08079	2.3
99.99053	1.0
103.05457	1.7
105.04551	2.8
105.07030	29.4
105.07737	1.8
107.04951	9.6
107.08591	29.9
109.02885	2.2
109.06513	5.9
109.10142	13.7
111.04433	2.0
111.08113	4.6
113.09700	1.1
117.07021	14.3
119.08569	21.5
121.06507	6.4
121.10141	10.3
123.08078	4.4
123.11687	2.5
125.09622	10.9
127.03951	2.9
128.06226	1.7
129.05544	1.1
129.06989	7.3
130.07870	1.6
131.08546	14.2
133.06509	4.4
133.10127	16.2
133.11028	1.5
135.08078	5.2
135.11707	9.3
137.09645	3.1
139.47716	1.0
142.07762	1.2
143.08530	5.3
144.09363	1.1
145.06480	1.2
145.10120	13.3
146.07277	1.5
147.08072	6.2
147.11658	6.3
149.09618	8.0
149.13239	7.7
151.11223	1.4
155.08601	2.7
157.08890	1.2
157.10159	4.1
157.65755	1.0
159.08099	1.3
159.11661	10.3
161.09694	3.7
161.13275	2.6
163.11159	5.7
165.09178	1.9
169.10144	2.6
171.10365	1.9
171.11737	4.7
173.09653	1.1
173.11902	1.6
173.13319	4.7
175.11230	4.1
177.12814	4.4
179.14363	1.5
183.11787	1.7
185.13347	1.2
187.11110	1.6
189.11234	6.7
189.12770	2.3
193.12294	1.7
195.13896	4.2
197.13335	1.4
199.14854	1.1
201.12727	1.1
205.12392	1.3
223.13261	14.9
227.12761	13.1
229.19608	1.6
239.18028	2.9
243.08386	1.7
245.19051	1.2
249.15010	4.0
251.16612	1.1
253.14502	2.9
255.15707	6.3
257.18915	7.0
260.84805	1.2
267.16000	1.6
269.17450	16.1
273.18506	16.4
275.20071	22.3
291.19525	100.0
292.19803	2.7
293.21085	2.6
309.20599	1.4
329.21329	1.5
331.23062	1.5
347.22287	3.0
349.23776	18.9
365.23190	46.0
366.23691	1.8
367.25217	1.1
401.22873	1.1
405.13602	2.4
406.14093	2.0
414.18326	1.7
519.34198	1.2
541.35059	3.2
543.36847	1.6
545.34741	14.3
546.34406	1.3
559.36328	41.6
560.36877	2.3
576.23450	2.1
621.42133	2.4
639.42627	28.4
640.42499	2.4
657.43646	4.0
682.35040	3.7
854.45709	60.1
855.46143	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	855.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68957	0.4
70.06591	0.9
70.63107	0.9
79.01627	1.7
79.05470	0.5
82.00328	1.5
83.01128	0.5
103.05462	1.4
112.01343	0.4
113.02168	1.9
127.00060	1.9
131.04951	2.2
137.06017	1.1
139.03673	1.3
141.05252	2.3
153.01619	1.7
163.03934	0.6
167.03200	0.6
169.04808	1.5
181.04799	1.3
182.01834	0.7
185.04254	3.2
185.05798	2.2
199.05809	1.2
201.03726	0.6
203.05309	0.5
227.05257	4.3
227.06973	0.4
243.04776	2.3
245.06459	1.3
253.03212	1.3
271.04172	5.1
287.03616	1.1
289.05258	1.2
310.75980	0.5
365.11801	0.7
381.11780	0.6
395.11081	3.0
410.13373	11.2
411.14084	0.6
450.11499	1.6
510.63913	0.6
607.21765	1.7
635.21021	1.4
769.26849	3.8
811.27728	49.9
812.28271	3.6
855.26733	100.0
856.27026	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	855.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00832	0.6
67.05477	0.6
69.15542	1.2
69.15945	3.1
79.01608	0.7
81.03410	1.1
82.00301	0.9
85.02906	1.3
91.05504	1.5
94.73396	0.6
97.02924	0.7
103.05460	1.3
105.01944	0.6
105.07047	0.6
119.04952	1.2
119.66609	0.7
127.00076	1.4
127.03923	1.2
131.04939	2.4
137.05963	5.5
141.05234	0.8
147.04416	1.4
149.13226	0.7
151.02812	0.6
151.03911	3.1
152.25493	0.5
153.01591	1.4
163.03914	0.9
163.07608	1.3
177.05292	1.0
181.04860	1.4
185.04224	1.0
191.07109	1.7
202.06013	2.7
203.05220	1.0
222.57249	0.6
227.05299	1.6
243.04819	1.1
245.06371	2.8
249.69160	0.6
253.03391	0.6
271.04181	3.0
287.03802	1.9
289.05240	14.8
373.59204	0.6
395.11258	2.3
403.03159	0.6
409.12704	0.8
410.13315	14.2
411.14157	1.5
512.03925	0.6
559.19629	3.3
589.20624	1.5
607.21954	2.3
769.26135	4.5
811.27667	57.4
812.27917	3.7
855.26666	100.0
856.27039	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	855.4728
Annotation	Cyclotheonamide E5
Peak:m/z	Relative Intensity
70.06601	0.9
71.18441	0.7
79.82305	0.5
92.04783	0.6
112.51520	0.6
127.17678	0.5
138.56358	0.5
148.07375	0.6
149.10745	0.8
163.08493	2.0
177.10223	1.1
189.09975	1.2
191.08032	0.7
205.13165	0.9
221.16406	0.7
248.32440	0.6
260.13803	2.5
261.15933	0.8
276.16919	1.4
286.15375	1.9
293.12772	0.8
336.17038	2.3
345.18970	0.7
357.19156	1.8
364.16266	1.6
373.22113	1.9
389.25360	1.5
390.17841	1.3
433.22070	13.4
433.27423	0.9
449.25095	1.0
454.23871	0.7
461.21857	0.9
473.72903	0.7
504.25925	1.3
546.30438	3.8
601.30988	4.5
659.39166	1.8
665.52753	0.6
714.39636	5.1
721.37219	1.2
730.42310	0.9
827.47754	10.3
828.48035	1.1
855.47302	100.0
856.47528	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	856.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	1.2
68.05025	1.0
69.03429	2.6
71.01345	1.4
71.04990	7.3
73.02918	4.2
73.41986	0.9
74.00664	1.1
79.46254	0.8
81.03415	0.9
83.04971	4.0
84.04498	1.9
85.01138	1.0
85.02898	11.4
86.00623	5.9
86.99056	2.7
89.03910	3.0
89.62949	0.8
91.05479	1.1
92.61457	0.9
95.04938	1.3
96.04491	2.1
97.02882	4.5
100.02183	1.0
104.01714	1.0
105.00072	1.4
107.04937	1.3
109.02901	0.9
111.04433	2.3
112.02166	4.4
112.03938	1.1
114.00127	3.7
114.98515	1.3
116.01688	2.5
117.03378	3.9
120.01192	1.1
121.05563	0.9
121.25185	0.8
124.02161	0.9
124.03944	1.9
127.03928	2.5
128.01674	2.1
129.05484	3.2
132.01118	8.8
135.04398	9.4
137.05966	1.4
139.03888	1.0
140.01649	14.0
140.03395	1.5
142.03229	1.5
145.02846	9.7
145.04721	1.1
146.02776	1.2
147.06543	1.0
150.65187	0.8
152.01637	1.2
154.03168	1.2
154.05054	2.1
156.01120	2.2
158.02684	3.7
160.00641	2.3
163.03889	100.0
164.04195	2.6
166.04964	1.7
168.01140	3.5
170.02750	1.8
172.00557	1.8
174.02203	2.3
177.05470	2.4
178.03209	2.9
181.04944	1.8
182.02791	1.8
182.04396	2.1
184.00609	1.2
186.02179	37.6
188.03809	1.7
190.03212	1.0
198.02205	2.7
200.00055	1.4
200.03761	12.4
206.08372	0.8
208.04254	7.6
212.74884	0.9
214.01657	3.1
216.03346	1.3
223.10231	0.9
224.05551	2.1
226.01573	2.1
228.03227	7.8
231.01952	5.1
232.02715	29.3
232.04927	2.0
242.04829	2.0
244.02713	9.4
246.04305	2.9
252.03224	1.4
254.04811	9.0
262.03552	1.4
270.04269	7.2
274.03757	27.7
288.05185	1.0
289.51852	0.9
298.03693	4.5
309.09625	1.2
316.04813	33.4
318.06482	4.3
325.09164	18.0
342.06314	6.4
360.07431	12.3
378.08487	8.7
688.59369	1.1
810.51251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.9
68.19316	0.4
69.03429	3.6
69.48808	1.7
69.49193	0.7
70.06586	0.7
71.01350	0.7
71.04993	5.9
73.02912	8.4
75.04482	0.4
76.54286	0.4
81.03395	1.1
83.04981	3.5
85.02409	0.6
85.02899	10.5
87.04465	3.1
89.03918	2.6
95.04946	0.4
97.02883	8.3
99.04450	1.1
107.04918	0.8
109.02860	0.6
111.04433	1.8
115.03926	2.5
117.03371	3.2
117.07011	0.7
122.05987	0.6
123.04420	0.7
127.03877	1.4
129.05469	2.5
132.04460	0.6
133.04971	1.1
135.04410	9.1
137.05916	0.6
138.05516	0.7
140.07030	0.7
145.02838	8.7
145.03931	0.8
145.06470	0.8
147.06520	1.0
150.05467	1.8
151.03870	1.6
161.06035	0.4
162.09138	1.4
163.03889	100.0
164.04237	3.9
168.06529	1.5
172.07625	0.6
173.05956	3.1
175.07561	0.9
177.05475	0.6
177.07663	0.6
178.08553	0.5
181.04924	2.5
183.32202	0.4
190.08647	2.5
191.06934	0.9
191.08450	0.6
192.08434	0.8
201.05516	2.7
201.07054	0.4
201.21971	0.4
206.08122	1.6
218.08112	6.3
219.06519	1.4
224.09305	0.5
226.10718	1.6
233.09372	0.5
234.09483	0.4
236.09064	7.0
238.10739	2.2
250.11734	1.0
251.12036	0.7
254.10216	28.8
255.10533	1.1
307.08099	1.0
325.09140	22.7
326.09512	1.5
368.93921	0.4
411.09329	0.4
492.14801	0.4
534.34888	0.5
562.19196	1.3
578.18829	11.9
713.38446	0.5
724.24359	1.6
751.61780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	100.0
70.91766	1.2
72.08157	3.6
86.09686	10.0
103.05445	1.3
120.08090	49.4
125.54011	1.2
138.12782	2.7
139.08636	2.7
141.10213	18.9
157.09731	19.9
167.08145	37.7
169.09706	25.3
169.11070	2.1
183.14938	2.0
185.09196	23.7
207.11276	4.0
211.14404	2.8
233.16440	3.6
235.10718	2.7
240.17094	2.5
263.91425	1.2
268.16562	4.6
282.18008	1.6
286.15421	1.7
304.16565	1.8
314.14951	25.5
332.15994	16.1
358.17453	1.2
381.24777	1.9
417.24756	4.0
445.24460	15.2
452.24951	1.9
494.33179	3.3
530.33191	3.3
540.31586	5.2
558.32831	34.7
559.33948	1.6
599.32111	2.9
602.79163	1.6
657.39716	1.8
666.08997	1.3
694.39362	1.6
712.40259	10.6
726.42139	5.9
797.48157	4.1
805.00439	1.5
807.46350	2.3
825.48755	28.1
826.48822	2.5
856.46350	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.6
65.03937	5.8
67.05502	88.4
69.03431	11.4
69.07063	58.7
69.50176	14.9
71.04996	13.2
73.02917	5.8
77.03863	3.1
78.47169	2.7
79.05485	99.5
81.03428	19.9
81.06569	6.0
81.07050	100.0
83.04971	16.4
83.08617	17.0
85.02900	8.3
85.06544	3.4
91.05478	83.0
93.07040	85.1
95.04958	23.3
95.08601	60.3
97.02887	7.6
97.06521	47.6
97.10150	16.2
99.04446	4.8
99.08073	5.9
105.04525	3.8
105.07024	85.6
107.04955	11.5
107.07918	6.1
107.08591	56.4
109.06523	16.4
109.10151	23.9
111.08083	8.0
115.05450	4.7
115.07557	13.5
117.06998	32.4
119.08566	51.2
121.06528	5.5
121.10145	24.9
123.08063	9.2
123.11739	5.7
125.09632	9.1
127.03916	5.0
128.06232	5.0
129.05467	5.0
129.07014	20.9
131.08569	40.0
133.06488	3.7
133.10126	44.2
135.08092	7.7
135.11697	20.3
137.09596	4.0
141.06972	5.8
142.07814	3.8
143.08554	20.5
145.06387	3.8
145.10085	33.2
147.07994	3.8
147.11697	24.6
149.09648	14.7
149.13251	14.1
151.11182	7.7
153.07027	3.3
155.08568	12.0
157.10062	14.7
159.11673	26.8
161.09610	5.5
161.13199	15.4
163.11189	9.7
165.12830	3.4
167.08521	6.5
169.10117	9.9
171.07993	4.0
171.11676	14.6
173.04535	3.9
173.09601	3.5
173.13249	10.2
174.12746	5.7
175.14803	4.7
181.10092	5.8
182.89301	4.3
183.11687	13.2
185.13281	8.7
187.13472	3.6
187.14915	4.6
189.11197	8.2
195.11803	7.4
195.13782	5.3
197.13258	6.4
199.14755	4.3
199.70190	3.5
201.12784	3.2
207.13716	3.3
215.14261	4.3
227.12656	15.6
239.17996	4.4
241.19597	6.4
247.20625	4.3
253.14287	3.7
255.15749	6.2
257.19098	14.4
259.20547	16.9
267.16113	4.1
269.17429	20.3
273.18506	7.7
275.20041	38.3
291.19540	6.7
293.21106	3.8
306.99283	3.5
309.20340	3.9
333.24054	19.0
349.23734	28.1
360.25278	15.7
445.29849	3.3
449.28882	4.0
463.30865	7.6
501.35938	3.6
513.35602	3.7
519.33673	4.0
527.37286	10.6
529.07471	3.4
529.35291	4.9
543.36865	21.5
605.41260	4.3
623.43182	16.8
633.21375	3.8
641.44061	12.0
856.55273	19.3
857.46124	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.6
65.03939	3.2
67.02959	1.9
67.05502	86.2
69.03113	1.7
69.03421	10.7
69.07065	47.5
71.04993	7.8
77.03964	3.4
77.99737	1.8
79.05490	74.3
81.03421	17.5
81.07054	100.0
83.05000	10.8
83.08621	17.2
85.02916	6.9
85.06550	5.2
91.05480	63.6
91.06062	2.7
93.07043	74.6
95.04971	22.5
95.08604	48.3
95.09216	3.4
97.02898	8.2
97.06529	24.3
97.10169	12.6
98.23491	5.2
99.08112	5.0
105.04515	4.1
105.07029	51.8
105.07737	2.8
107.04960	12.1
107.08591	58.6
109.06534	8.2
109.10151	16.6
111.08064	5.9
115.05450	3.6
117.07014	25.4
119.08569	35.9
121.06493	10.1
121.10146	21.9
123.08047	5.9
123.11716	6.1
125.09626	12.6
127.03910	3.6
127.07614	2.3
129.05484	2.3
129.06985	10.6
131.08553	30.8
133.10123	34.5
135.08057	10.6
135.11702	25.7
137.09589	5.4
141.06998	6.3
143.08566	7.5
145.06485	2.0
145.10127	23.1
147.08086	3.2
147.11644	13.6
149.09615	20.4
149.13263	17.1
151.11206	3.1
153.12836	2.0
155.08604	4.5
156.42000	2.1
157.10109	7.5
159.08069	2.3
159.11702	25.4
161.09644	4.0
161.13237	7.8
163.11133	13.0
165.12804	2.4
169.10110	6.0
171.11694	6.1
173.04523	2.6
173.13280	9.5
177.12712	6.8
179.14336	3.1
183.11749	5.5
185.13216	5.0
189.11258	6.4
195.12102	3.0
195.13686	11.0
197.13251	4.6
199.14864	2.8
217.15749	2.1
227.12740	16.6
228.94380	1.8
229.14215	4.1
229.19524	4.3
239.17857	5.6
247.20628	4.3
253.14465	3.1
253.18031	2.5
255.15865	14.9
257.19016	13.8
267.15796	3.7
269.17462	49.5
275.20041	55.6
276.20453	3.1
281.64380	2.0
293.21085	3.6
331.22775	3.7
349.23740	45.3
350.24088	2.9
360.25305	3.2
365.23181	3.5
367.24725	5.9
413.21661	2.7
424.01166	1.8
431.27664	2.6
435.27301	2.2
449.28970	19.7
451.31839	3.1
463.30573	29.3
525.35925	4.5
529.35236	7.9
543.36847	37.6
544.37128	3.2
547.35968	3.2
561.37689	6.8
566.68311	2.0
607.34583	2.5
623.42914	7.1
641.43622	5.3
669.05377	2.9
829.60797	2.6
856.43732	3.4
857.45490	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	5.8
67.05504	100.0
67.05868	4.9
69.03421	13.1
69.07066	57.7
69.07442	2.6
69.24564	12.3
71.04991	10.0
79.05489	91.6
81.03409	17.8
81.07055	88.6
83.04996	13.9
83.08619	20.7
85.02914	6.5
85.06529	5.2
89.33538	2.4
91.05476	88.8
93.07039	88.8
95.04946	25.1
95.08605	53.7
97.02908	6.6
97.06533	25.8
97.10169	30.6
99.04463	2.7
99.08063	4.2
103.05476	4.1
105.04544	6.0
105.07027	65.5
107.04962	15.3
107.08592	68.5
108.08914	2.7
109.02887	3.9
109.06525	12.9
109.10151	28.9
111.04477	2.5
111.08090	7.0
113.09591	3.1
115.05469	3.7
117.07006	33.0
119.04873	2.5
119.08569	52.8
121.06495	7.1
121.10152	24.9
123.04435	2.6
123.08095	8.6
123.11716	5.3
125.09644	30.0
127.03917	5.7
128.06277	3.8
129.05478	3.2
129.07002	14.4
131.04938	3.1
131.08551	35.0
133.06505	3.2
133.09155	4.5
133.10109	40.8
135.08029	11.4
135.11676	16.9
137.09624	5.9
141.07005	5.6
143.08562	11.1
145.06509	5.3
145.10121	40.7
147.11674	27.2
148.13287	2.3
149.09612	26.0
149.13278	11.7
151.11195	2.9
153.09131	4.7
155.08577	8.3
156.09178	3.1
157.10132	13.6
159.08029	3.3
159.11685	29.2
161.09619	5.3
161.13260	10.1
163.11172	16.7
165.09047	2.7
165.12737	3.0
167.08536	2.6
167.85840	2.5
169.10181	6.6
171.10248	4.1
171.11591	12.4
173.09668	3.1
173.11879	3.7
173.13161	12.0
175.11172	5.4
175.14842	3.1
177.12782	8.4
179.14342	8.7
181.10106	3.9
183.11697	8.0
184.12056	2.3
185.13248	8.3
187.11227	4.9
187.14822	3.2
189.11223	14.9
195.11823	2.8
195.13792	5.4
197.13269	5.9
199.14963	2.4
201.16299	2.4
205.12254	3.1
209.13152	4.0
215.14275	2.5
219.17374	2.8
227.12749	45.7
229.14302	4.6
229.19408	4.1
235.16884	2.5
239.17944	8.4
245.13908	4.5
255.15852	7.6
257.18991	19.7
259.20605	4.3
267.15857	2.9
269.17380	23.6
273.18491	5.4
275.20056	79.8
291.19495	4.4
293.21027	5.7
304.07956	2.2
331.22607	6.1
339.23096	2.9
349.23709	67.6
360.25391	4.2
367.24973	4.1
383.22333	2.5
423.27472	4.3
427.27661	2.7
503.33591	4.4
519.33173	3.1
525.35754	3.5
527.37543	6.4
529.35266	11.4
543.36688	40.3
561.37616	3.1
583.39972	3.7
623.42920	20.7
629.43896	2.9
641.44098	9.1
812.96326	2.5
856.54810	9.9
857.44910	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.4
63.49189	2.1
65.03917	4.1
67.05505	100.0
67.05869	5.1
68.47763	2.1
69.03432	3.3
69.07072	19.0
71.04987	4.5
72.01781	2.4
73.02906	3.2
79.05492	47.7
81.03424	6.2
81.07056	60.3
83.04992	6.1
83.08624	12.9
85.02905	9.7
85.06575	2.3
87.04452	6.2
91.05470	23.5
93.07041	39.4
95.04957	9.6
95.08598	38.7
97.02892	2.9
97.06534	4.1
97.10171	9.8
100.97237	2.1
105.07056	15.5
107.04965	3.2
107.08592	26.2
107.62894	2.2
109.10157	51.8
111.08103	2.4
117.07008	7.3
119.08582	12.7
121.10149	14.5
123.08015	3.0
123.11698	4.5
125.09621	9.5
129.05544	3.4
130.02257	2.1
131.08586	9.7
133.10098	6.2
135.11729	8.7
137.09615	4.9
145.10130	8.4
147.11655	4.4
148.63167	2.0
149.13242	3.7
155.10751	2.4
163.11174	7.1
173.11749	11.6
173.13177	4.0
177.24059	2.6
199.13239	3.3
209.11755	3.3
227.12677	3.6
228.75032	2.1
229.14345	24.2
243.21164	3.2
247.25937	2.6
261.22092	11.5
301.16455	8.6
314.55466	2.2
317.24997	2.8
335.25781	53.5
343.03964	2.5
399.23627	8.2
477.35440	2.8
489.35898	14.3
561.37305	3.4
579.38489	4.7
624.63531	2.8
659.45447	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	857.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74003	1.1
60.51235	1.1
69.03424	1.7
70.06599	1.2
71.43022	1.3
78.15279	1.1
79.05507	4.0
81.03428	2.8
81.07052	8.3
85.02898	2.0
91.05470	1.7
93.07071	3.5
95.04935	1.1
95.08618	2.6
97.02885	1.8
107.08569	2.2
109.02848	1.4
109.10194	2.3
119.01900	2.1
119.08569	2.8
121.10162	2.0
127.00037	1.8
127.03971	1.7
133.10159	1.6
145.10101	1.7
146.67860	1.2
147.11702	1.9
153.88361	1.3
159.11691	1.3
161.02936	1.3
161.13321	2.7
163.03935	2.3
167.03198	3.9
174.60495	1.2
175.14793	2.1
177.05511	1.4
185.04330	3.6
203.05389	5.7
209.92578	1.3
227.05266	6.2
243.04807	3.3
245.06331	71.5
258.23096	1.4
271.04092	10.6
289.05286	56.6
290.05664	1.7
325.21390	2.5
341.59198	1.4
343.22421	16.3
361.23465	3.2
390.28885	1.4
441.28369	1.6
445.24133	1.5
447.19809	1.7
474.51398	1.2
483.72150	1.3
487.26160	2.5
503.29950	2.3
505.27472	7.2
523.28833	2.6
529.27234	2.7
532.32971	1.7
533.33179	2.9
546.44513	1.5
547.28595	21.6
565.29791	12.1
573.26721	16.8
574.27747	1.4
591.27704	54.0
592.28149	1.9
609.28644	18.7
751.35004	2.0
769.35938	2.5
795.33813	15.8
796.33942	1.6
813.34967	13.2
839.32959	67.0
840.33594	5.3
857.33942	100.0
858.34692	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	858.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.6
67.05515	2.5
69.03455	0.5
69.37016	1.2
69.37409	0.6
70.06600	1.0
71.05015	0.4
73.02914	0.3
77.03947	0.3
80.02627	0.4
81.03426	0.3
82.04221	1.0
83.05002	0.4
84.08143	3.2
85.02908	2.7
86.09706	1.6
93.03414	0.7
95.04966	2.3
97.02903	0.9
97.06569	0.8
98.22680	0.6
104.05364	0.6
105.04537	0.8
108.02097	3.6
110.03671	1.4
111.04466	1.7
113.47464	0.3
120.08109	1.0
121.04015	0.5
123.04446	0.5
125.06007	0.9
129.05515	0.3
129.10231	1.7
136.01538	0.5
138.03140	0.6
141.05453	2.8
145.02826	0.7
151.03906	100.0
151.05000	9.5
152.04175	1.4
153.05469	1.0
163.03911	2.9
169.04836	0.3
171.06522	2.3
174.05836	0.5
177.05466	1.1
181.04947	46.8
182.05322	0.6
203.13771	0.4
224.03889	0.4
229.55144	0.3
240.06427	0.4
247.29930	0.3
253.58369	0.3
258.07614	4.0
325.09113	0.3
475.08981	1.4
477.09827	0.6
523.10083	0.4
543.91010	0.4
697.22058	0.4
707.28619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.2
63.02347	0.4
67.01844	0.6
68.01450	0.2
69.03423	5.4
69.77705	1.1
71.01338	1.0
71.04987	5.9
73.02908	11.8
75.04416	0.3
78.04694	0.3
81.03407	3.4
83.04971	4.6
85.02892	11.5
87.00832	0.5
87.04453	0.8
89.03895	3.6
91.05441	0.6
93.07040	0.5
95.04955	0.4
97.02882	6.6
99.04462	1.6
103.05441	0.4
105.01878	0.3
105.52931	0.3
109.02861	5.7
109.03556	0.5
111.04404	2.4
112.64738	0.3
115.03914	3.6
117.03361	10.8
121.06487	3.2
125.96823	0.3
126.98409	0.3
127.03891	4.8
129.05461	2.9
133.04973	1.9
134.03624	0.7
135.04417	1.0
136.56599	0.3
139.03865	0.4
145.02831	39.6
146.03156	0.5
147.04364	0.3
147.06522	1.5
149.05954	4.0
159.04530	0.3
163.03885	2.6
163.07500	0.5
170.69910	0.3
177.05443	100.0
178.05759	1.6
186.05434	0.4
195.06500	6.5
211.49001	0.3
213.03870	0.5
216.77284	0.3
225.07588	0.8
229.08580	0.8
241.08749	0.6
243.08730	0.4
247.09563	0.4
261.09763	0.5
285.07343	0.6
315.12228	1.2
321.09784	1.1
323.10989	0.3
325.08984	0.4
407.09680	1.1
425.10727	51.4
426.11279	2.0
456.13895	0.3
563.16675	0.4
571.17059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14086	0.2
61.02929	1.2
63.02383	0.5
67.05516	0.4
68.99785	2.1
69.03428	4.2
69.73769	0.9
70.06570	0.3
71.01352	1.1
71.04990	4.7
73.02911	10.8
79.05489	0.5
81.03416	2.8
83.04967	4.3
85.02897	10.1
86.88418	0.2
87.04439	0.7
89.03913	3.5
91.05454	0.3
91.08167	0.2
93.07067	0.4
95.04978	0.5
97.02883	5.5
99.04467	1.1
101.01688	0.5
101.02370	9.2
103.03927	0.4
105.06981	0.3
106.94260	0.2
107.04943	1.1
109.02865	3.5
111.04424	2.3
114.82168	0.2
115.03938	2.8
117.03368	4.1
119.03416	0.7
121.06502	2.4
123.04461	0.3
127.03899	3.4
129.05455	2.4
133.04939	1.6
135.04405	11.1
139.03873	0.3
145.02840	8.7
147.04355	0.8
147.06509	1.7
149.06049	0.2
151.03902	0.3
152.66597	0.2
161.04433	0.5
163.03886	100.0
164.04172	1.7
171.06607	0.3
181.04976	1.9
181.06427	0.4
225.07552	0.8
227.05284	1.8
229.08633	0.5
243.08716	0.4
245.06216	0.4
245.08408	0.3
247.06020	0.6
261.09622	0.6
271.05917	1.2
289.07089	0.7
296.13202	0.3
301.10724	1.5
307.08066	1.5
389.08618	0.6
425.10764	22.8
426.11014	0.9
441.13083	0.2
527.61078	0.2
613.66412	0.2
635.09949	0.3
753.11871	0.2
858.26660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02921	3.4
67.05503	5.3
69.03438	3.1
69.07073	2.3
73.02928	3.0
79.05511	2.8
81.03419	2.0
81.07038	3.5
84.31857	0.7
85.02906	3.0
85.06574	1.3
91.03964	1.7
91.05457	3.1
93.07039	3.3
95.04952	3.6
95.08624	2.1
97.02889	3.2
97.06521	0.7
101.02392	1.6
105.07018	2.7
106.02240	0.6
107.08630	2.4
109.02924	0.6
109.06571	2.2
109.10189	1.0
111.26010	0.5
113.06026	2.3
117.07069	1.2
119.08640	1.5
121.10155	0.6
127.03939	0.8
128.51779	0.6
131.08614	1.6
131.14769	0.5
133.10204	1.8
135.08072	0.6
135.11792	1.2
138.62047	0.7
145.10095	0.6
156.94858	0.5
159.11784	0.7
185.04239	0.7
243.08492	2.3
301.08859	0.8
331.19016	2.5
333.20398	0.9
387.21674	1.1
453.21048	1.0
535.28424	0.9
546.59045	0.6
549.26624	6.6
551.28186	5.5
859.48047	100.0
860.33356	1.1
860.48401	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	859.481
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02930	4.2
65.03925	0.7
67.05502	5.9
69.03424	4.1
69.07063	4.8
70.32694	0.4
70.62627	0.6
71.01342	0.4
71.04997	0.5
71.70096	0.4
73.02917	3.2
78.71294	0.4
79.05491	5.7
81.03394	2.2
81.07052	6.4
81.07497	0.5
83.05001	0.9
83.08622	1.2
85.02898	4.1
91.03964	2.1
91.05476	4.1
93.07041	4.6
95.04979	1.7
95.08596	3.6
97.02904	4.0
97.06550	1.4
97.10190	1.3
99.04456	0.9
99.08112	0.6
101.02412	1.3
101.56583	0.3
105.07031	3.1
107.04990	0.8
107.08562	3.1
109.02855	0.7
109.06530	1.1
109.10167	1.7
111.08084	0.8
117.07042	1.7
119.08588	2.0
121.10162	1.4
121.93325	0.3
123.08089	0.8
125.09657	1.3
127.03930	1.4
131.08591	1.5
133.10182	1.4
135.08032	0.7
135.11725	0.9
136.06224	0.4
137.09607	0.4
143.08585	0.6
145.10155	1.2
147.11679	0.6
159.11729	0.8
161.09673	0.4
171.89178	0.4
185.04271	0.5
203.05397	0.7
223.13376	1.4
243.08363	5.0
259.07990	0.5
291.19614	1.7
292.20135	0.5
301.09009	0.7
313.08890	0.5
331.18915	1.1
333.20517	1.3
335.25812	1.0
336.26559	0.8
369.15469	0.7
387.21524	0.9
389.23334	0.7
439.19681	1.2
453.20779	1.0
490.35641	0.4
530.39178	0.4
535.29169	0.6
549.26605	5.2
551.28320	7.0
626.44885	0.9
859.48010	100.0
860.48401	10.0
883.76801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
64.24880	0.4
67.05502	5.1
69.03424	2.6
69.07072	2.7
69.49445	1.8
71.04998	0.7
71.58894	0.4
73.02917	3.0
79.05495	3.7
79.76215	0.3
81.03432	1.5
81.07055	5.7
83.04984	0.8
83.08620	1.4
85.02904	3.9
87.04520	0.4
91.03970	1.6
91.05477	3.4
92.17590	0.4
93.07043	4.5
95.04977	1.6
95.08601	2.8
97.02886	4.1
97.06551	0.7
97.10194	1.2
99.04435	0.9
101.02376	1.8
105.07026	2.7
107.05032	0.8
107.08601	2.3
109.02850	0.5
109.06535	0.7
109.10169	1.8
111.08045	0.4
117.07028	0.9
119.08561	1.9
121.06504	0.4
121.10167	1.3
125.09660	1.0
127.03938	1.0
129.06995	0.5
131.08575	1.1
133.10149	1.6
135.08102	0.5
135.11702	1.2
143.08537	0.4
145.10147	0.6
147.11707	0.9
149.13266	0.4
152.93042	0.3
166.86475	0.3
185.04282	0.9
185.90715	0.4
189.11288	0.5
203.05295	0.4
218.66263	0.4
223.13385	1.1
243.08368	4.2
284.31854	0.4
291.19547	1.2
306.19876	0.4
308.06989	0.4
331.18869	1.5
333.20444	1.4
335.25818	0.8
344.22360	1.3
345.22580	0.9
379.58734	0.4
389.23090	0.6
389.27771	0.4
439.19537	1.3
453.21182	1.2
499.37808	0.5
517.38849	0.6
536.05597	0.4
549.26794	5.5
551.28430	5.7
668.49005	0.4
697.48389	1.2
761.40778	0.9
829.07654	0.4
859.48022	100.0
860.48486	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	860.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.8
63.02365	0.2
67.05479	0.2
69.03427	3.6
69.76737	0.3
71.01338	0.6
71.04627	0.3
71.04990	3.3
73.02914	6.8
73.46085	0.2
74.09697	0.4
79.05499	0.4
81.03413	0.8
83.04978	2.3
85.02901	7.4
87.04428	0.3
89.03922	2.0
90.25447	0.1
91.05466	0.2
95.04932	0.3
96.77260	0.1
97.02892	5.8
99.04458	0.6
101.02357	0.2
101.05933	0.2
103.03921	0.2
107.04950	0.6
109.02864	0.3
111.04443	1.3
113.05959	0.2
115.03909	1.5
117.03361	2.4
118.58244	0.2
127.03902	0.7
129.05479	1.5
133.04964	1.0
135.04416	5.8
139.03935	0.4
145.01682	0.3
145.02834	5.4
146.03287	0.2
146.05980	0.3
147.06487	0.8
160.07539	0.2
163.03893	50.2
164.04221	0.6
170.05992	0.7
177.05502	0.5
181.04938	1.4
199.06258	0.8
212.07004	1.2
215.05788	0.5
225.07591	0.4
227.05743	4.9
228.06467	1.2
230.08110	10.3
231.08534	0.2
240.06543	2.4
243.08577	0.2
258.07596	100.0
259.07944	2.7
295.08084	0.2
300.08524	0.2
307.08139	0.8
325.09155	10.1
326.09357	0.3
339.10992	0.2
420.12698	0.6
541.66486	0.2
568.42609	0.2
582.16034	4.2
582.24713	0.2
583.15985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50257	0.2
61.02932	0.9
63.02366	0.2
65.08821	0.2
69.03059	0.3
69.03425	4.7
69.90737	0.5
71.01353	0.8
71.04987	4.0
73.02913	6.2
79.05485	0.4
81.03400	1.5
82.03742	0.1
83.04974	2.5
85.02898	9.3
86.03242	0.2
87.04485	0.4
89.03905	3.0
91.05457	0.3
95.04950	0.4
96.60691	0.1
97.02884	8.6
98.03185	0.2
99.04450	0.7
99.49541	0.2
101.02374	0.2
103.03931	0.3
107.04955	0.8
109.02856	0.9
111.04439	1.5
115.03918	1.7
117.03367	5.0
118.03706	0.4
121.06480	0.3
127.03900	1.1
129.05463	1.5
133.04944	0.7
135.04402	8.6
136.04721	0.3
139.03885	0.4
142.06552	0.2
145.02837	10.8
146.03163	1.3
147.03371	0.2
147.06490	0.8
149.04576	0.2
149.05974	0.4
151.03885	0.2
163.03886	68.1
164.04213	1.9
169.04858	0.2
170.05934	1.2
171.06496	0.3
177.05453	8.0
178.05812	2.7
179.05913	0.9
181.04938	1.8
195.06503	0.6
199.06224	0.8
210.05627	0.2
210.59837	0.2
212.07007	0.8
214.04913	0.3
225.07468	0.3
226.07449	0.3
227.05748	10.1
228.06506	4.7
230.08104	4.5
237.02557	0.2
239.08199	0.2
240.06529	13.8
241.07033	0.5
257.09207	2.1
258.07578	100.0
259.07938	3.0
265.07101	0.3
300.08530	0.4
307.08032	1.1
325.09149	15.5
326.09445	0.8
368.11414	0.2
390.11584	0.2
420.12732	0.7
425.10760	2.2
426.11081	1.9
427.11313	1.6
582.16278	2.9
583.15363	0.3
890.41498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.8
63.02376	0.5
63.36479	0.2
67.01850	0.9
68.99786	0.3
69.03072	0.4
69.03424	5.7
71.01328	0.9
71.04987	5.5
71.42033	0.2
73.02911	12.3
75.04455	0.5
79.05476	0.6
81.03416	3.1
81.04534	1.3
83.04974	4.6
85.02895	12.6
86.03185	0.3
87.00819	0.5
87.04459	0.6
89.03902	4.0
91.05463	0.6
92.56215	0.2
95.04958	0.6
97.02888	7.3
99.04427	1.3
103.03911	0.4
105.07022	0.3
107.04958	1.3
109.02094	0.3
109.02869	4.9
111.04432	3.4
115.03928	3.0
117.03370	5.2
119.04919	0.4
123.04396	0.3
125.02267	0.3
127.03897	4.9
129.05455	2.7
129.07068	0.3
133.04939	1.7
135.04399	11.6
137.05956	2.2
139.03876	0.4
145.02835	11.5
146.06007	0.3
147.04367	0.5
147.06516	1.2
149.05969	0.4
151.07530	0.3
153.05490	0.3
161.05960	0.8
163.03885	100.0
164.04233	2.3
165.05458	1.9
171.06529	0.3
175.07593	0.3
177.05472	2.6
179.07028	0.9
181.04935	5.1
181.06354	0.4
185.05989	0.3
189.03838	0.3
189.05434	0.6
198.10269	0.9
199.07376	0.5
203.07018	0.8
210.06633	0.3
211.07368	0.7
213.03940	0.6
217.08595	0.5
221.08220	0.4
225.07542	0.8
226.09724	2.6
227.06995	0.7
231.04997	0.5
244.10782	11.3
245.08138	2.6
245.10716	0.3
247.06010	0.3
261.09692	0.5
263.09155	1.5
271.06076	0.7
289.07104	0.3
296.13406	0.4
307.07971	1.1
317.10339	0.6
339.10681	0.7
349.09229	0.9
367.10291	1.0
369.08176	0.4
393.08353	0.7
411.09180	32.9
412.09521	1.5
425.12344	0.3
458.78656	0.3
529.13751	0.4
547.14313	2.1
554.26819	0.3
582.20813	2.4
860.29651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.5
63.02376	0.3
67.01855	0.7
69.03066	0.3
69.03426	4.1
70.49995	0.5
71.01353	0.9
71.04990	4.8
73.02911	11.4
75.04443	0.3
76.65303	0.2
79.05470	0.5
81.03410	3.2
83.04975	4.6
85.02897	11.3
86.03210	0.2
87.00819	0.5
87.04451	0.4
89.03905	3.6
91.05467	0.5
95.04959	0.5
97.02886	7.0
98.99589	0.2
99.04449	1.5
101.02327	0.2
103.03948	0.4
105.07047	0.2
107.04952	1.1
109.02869	5.5
111.04426	2.6
115.03918	2.4
117.03362	5.6
119.04927	0.3
123.04425	0.4
127.03908	4.8
129.05463	2.4
133.04965	1.5
135.04401	12.0
137.05960	1.7
139.03856	0.5
145.02832	10.4
147.04411	0.3
147.06511	1.1
151.07487	0.3
157.06441	0.2
161.05940	0.7
163.03885	100.0
164.04230	2.3
164.08972	0.2
165.05475	2.3
169.05098	0.2
171.08110	0.2
175.07564	0.2
179.07062	1.2
181.04944	5.9
181.06386	0.3
184.66798	0.2
189.05463	0.4
199.07581	0.4
203.07024	0.8
209.06134	0.2
213.03893	0.8
217.08632	0.5
221.08057	0.6
225.07581	0.8
227.07068	0.6
243.08705	0.3
245.08081	3.0
246.08525	0.3
247.05930	0.3
261.09717	0.3
263.09143	1.3
271.05933	0.6
286.21304	0.2
289.06970	0.5
296.13501	0.3
307.08130	1.2
317.10153	0.7
319.99713	0.2
325.09351	0.2
349.09012	0.7
365.47659	0.2
367.10165	0.9
369.08167	0.4
393.08005	0.7
407.11514	0.2
411.09167	30.3
412.09344	1.7
443.13446	0.3
529.12915	0.2
534.04626	0.2
547.14526	2.3
606.17938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.3
61.03197	0.3
62.12853	0.3
67.01842	0.8
69.03428	4.4
71.01337	1.1
71.04991	4.4
73.02914	10.2
75.04472	0.5
79.05503	0.3
81.03418	3.1
83.04980	4.4
85.02901	11.4
87.00841	0.4
87.04461	0.5
89.03909	3.6
95.04955	0.6
97.02889	7.8
98.22623	0.6
99.04482	1.3
103.03944	0.4
103.72581	0.3
107.04943	1.7
109.02879	4.5
111.04446	3.0
115.03918	3.0
117.03387	4.5
127.03919	5.2
129.05463	2.5
133.04938	1.3
135.04408	11.7
137.05101	0.3
137.05965	1.9
139.03906	0.7
145.02843	10.4
147.04402	0.5
147.06479	1.6
151.07492	0.3
161.05997	0.9
163.03893	100.0
164.04240	3.0
165.05504	2.8
177.05443	1.0
179.07005	1.5
181.04956	5.4
181.06409	0.3
191.07104	0.7
203.06979	0.8
204.58250	0.3
213.03970	0.8
221.08229	0.3
225.07565	1.1
227.07158	0.5
244.10948	0.5
245.08136	3.5
247.06064	0.3
248.72661	0.3
260.10248	0.6
263.09122	1.7
271.06052	0.6
272.03400	0.3
296.13382	0.3
307.08087	0.9
317.10080	0.7
325.09207	1.1
349.09195	0.7
367.10178	1.1
393.08279	0.6
411.09186	33.2
412.09531	1.1
413.09427	0.4
428.30093	0.3
547.14435	2.9
548.14587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81935	1.8
60.08152	4.9
67.05499	16.9
67.34198	2.2
69.07060	12.8
70.48083	3.4
70.48395	2.5
71.07381	12.0
78.47506	2.0
79.05467	3.7
81.07055	17.3
81.08076	2.1
83.08600	6.5
86.09698	36.1
91.05489	2.9
92.63783	2.3
92.91877	2.7
93.07021	6.9
95.08061	3.3
95.08583	17.4
97.10194	3.1
104.10733	76.1
105.07063	3.4
107.08584	5.7
109.10178	8.2
113.27634	2.5
121.10146	3.3
125.00003	4.6
133.10109	4.2
146.98167	47.5
184.07355	3.7
201.00142	5.2
244.05708	2.6
337.27274	12.6
483.24875	36.2
506.69965	2.5
511.00583	2.3
542.32123	100.0
543.32452	7.2
698.43829	2.5
860.49542	23.4
861.48529	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	861.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30920	0.8
69.04570	1.0
69.07063	1.3
69.59219	3.1
69.59602	1.8
70.06589	100.0
72.08150	6.1
81.04567	1.3
81.14360	0.8
81.50278	0.9
82.05333	3.3
83.06123	3.7
84.08134	1.8
86.09704	15.9
91.44064	1.0
93.04549	3.2
95.06111	4.1
95.08605	0.9
98.06067	1.1
109.06401	2.1
110.07160	54.2
111.05574	1.2
115.08741	1.0
116.07133	0.9
120.05617	1.7
121.04105	1.0
121.07656	0.9
122.07231	1.7
125.10764	1.2
126.05521	2.0
136.08746	3.8
138.06668	1.7
141.10222	35.2
148.08705	5.0
152.08279	0.9
153.13870	1.0
157.13403	3.3
160.08682	1.0
162.10265	29.2
162.93739	0.8
163.04021	0.8
164.08224	1.4
164.11935	1.7
165.07822	2.0
166.06174	3.3
167.09250	1.0
167.11884	0.8
169.09714	52.1
169.13351	27.4
170.10129	1.1
174.06813	0.9
176.08212	7.0
178.13374	1.0
180.10225	5.7
181.09802	2.5
185.12915	2.0
190.09753	5.8
193.10817	9.7
195.11264	2.0
197.12845	21.0
197.14554	1.4
203.09424	1.1
204.07651	4.7
205.10890	1.7
217.10991	2.4
219.08824	0.9
221.10336	19.2
223.14429	1.1
233.14024	2.0
234.13554	1.0
235.11853	13.9
235.13924	0.9
245.09763	2.3
247.11890	1.1
249.09846	1.2
251.25677	0.9
252.13426	1.8
254.18687	3.8
257.10828	3.1
261.13303	1.8
263.11523	3.2
266.15100	2.6
268.16736	3.6
268.20364	1.0
282.18076	11.6
285.10153	6.9
288.14771	2.2
288.18378	4.6
294.18460	1.0
296.19836	2.9
298.16589	1.2
300.14734	1.5
316.17648	17.2
316.21027	1.2
318.15668	2.0
332.16501	1.5
334.18768	2.6
337.22458	1.4
338.23300	0.8
351.24005	1.4
365.21771	6.8
377.23315	1.0
379.23477	1.3
389.23306	1.0
429.21637	6.3
433.25827	3.3
462.26984	1.0
474.28442	3.3
502.27588	4.5
516.29437	1.3
538.28223	3.9
566.27557	14.6
567.19751	2.0
567.27991	1.7
577.37390	1.4
580.29260	5.2
698.40588	1.6
724.40558	1.3
734.40607	1.1
762.39807	6.9
769.47699	2.4
770.45087	1.0
797.46552	17.7
798.47351	2.2
833.46802	11.0
843.45740	2.9
861.46570	73.7
862.46637	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	861.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.3
61.45010	0.6
67.05517	1.2
73.02921	0.7
73.07510	0.5
79.05488	1.0
81.07058	2.0
85.02920	0.9
88.37387	0.6
91.03958	1.0
91.05492	0.9
93.07063	1.1
95.04993	0.6
95.08621	0.7
97.02921	1.5
107.08608	1.3
107.74603	0.5
113.43480	0.5
121.10143	0.5
135.11664	0.6
145.30553	0.5
193.54018	0.6
203.81822	0.5
301.09134	0.6
365.19287	0.6
407.66739	0.6
428.32349	0.6
450.37708	0.6
536.36035	0.6
775.41846	1.2
861.47833	100.0
862.48376	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	861.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75531	0.6
61.02932	0.8
67.05508	1.0
69.23883	1.2
69.24297	2.7
70.82630	0.5
79.05505	1.5
81.07068	1.1
83.71019	0.6
91.05537	0.7
93.07065	1.4
97.02873	0.8
97.60047	0.7
98.22720	1.5
103.01765	0.6
136.06142	0.7
138.77522	0.6
155.03242	0.6
200.49475	0.7
443.57294	0.7
470.36600	0.6
567.26178	0.8
769.30957	0.8
829.45178	0.9
861.47656	100.0
862.47797	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.1
64.57922	0.3
65.03943	0.4
66.53254	0.4
67.05504	4.7
69.03418	2.6
69.07072	2.5
69.85174	0.8
69.85502	0.8
71.04989	0.7
71.49156	0.4
72.20562	0.4
73.02912	2.5
76.00468	0.4
79.05493	4.5
81.03429	1.7
81.07058	5.1
83.04996	1.0
83.08637	0.7
85.02905	3.4
86.85294	0.3
87.04472	0.7
91.03960	2.2
91.05476	3.0
93.07053	3.5
95.05002	1.4
95.08589	1.9
97.02879	2.5
97.06573	0.7
99.04488	0.8
101.02406	1.0
105.07012	2.0
107.08594	2.2
109.02895	0.5
109.06549	0.5
109.10211	1.2
117.07022	0.8
117.41174	0.3
119.08613	1.5
121.06494	0.4
121.10204	1.0
123.08094	0.5
127.03938	0.9
129.07021	0.5
131.08595	1.0
133.10182	1.2
135.11792	0.9
136.06180	3.3
137.06610	0.4
137.36317	0.3
145.10135	0.7
147.11774	0.6
149.09653	0.4
149.13362	0.5
159.11783	0.5
181.12196	0.4
185.04457	0.4
203.05305	0.4
208.56648	0.4
217.95717	0.4
243.08412	2.8
291.15796	0.4
333.20349	3.1
339.22806	0.4
339.30795	0.4
389.23138	1.1
408.23706	0.4
439.19485	1.6
453.21262	1.5
469.20285	0.6
551.28241	9.7
552.29291	0.6
657.52850	0.4
763.42444	1.6
861.49597	100.0
862.49792	9.5
862.65375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.1
61.27826	0.3
61.78519	0.3
62.65504	0.3
62.94360	0.4
67.05509	4.2
68.68209	0.3
69.03427	2.7
69.07065	3.5
70.12633	0.8
71.01370	0.4
71.04993	0.4
73.02924	2.8
77.03934	0.4
79.05493	3.2
81.03420	1.8
81.07056	3.8
83.05003	0.7
83.08646	0.9
85.02908	4.0
85.06551	0.4
87.04473	0.4
91.03936	2.0
91.05471	2.9
93.07038	3.5
95.04993	1.2
95.08639	1.6
96.46752	0.3
97.02895	2.9
97.06572	0.5
97.10175	0.9
99.04474	0.5
101.02405	1.1
105.07016	2.0
107.08606	1.7
109.02891	0.5
109.06538	0.6
109.10186	0.9
117.07047	1.2
119.08568	1.8
121.10181	1.0
125.09610	0.6
127.03918	0.8
129.05495	0.4
131.08595	1.1
133.10165	1.0
135.11739	0.6
136.06181	3.5
136.44879	0.3
137.06577	0.4
140.02225	0.3
145.05087	0.4
145.10143	0.7
147.11705	0.6
159.11668	0.7
175.18350	0.3
185.04248	0.6
203.05333	0.7
243.08427	3.1
263.12405	0.3
283.89835	0.3
301.09015	0.8
315.10641	0.4
333.20377	2.3
336.91568	0.3
349.19846	0.6
389.22925	1.0
429.17554	0.4
436.40628	0.4
439.19757	0.8
453.21017	0.9
453.86966	0.4
469.21106	0.4
525.99640	0.4
529.71545	0.4
551.28229	9.1
552.28876	0.4
567.27588	0.6
623.29974	0.6
648.73059	0.4
861.49573	100.0
862.49756	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	863.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	0.5
76.07116	0.5
83.06623	0.4
86.39711	0.4
163.03951	0.7
176.55725	0.4
221.04718	0.5
224.99252	0.6
233.18378	0.4
313.21445	0.4
373.84760	0.5
559.26123	0.6
754.45929	0.5
807.41913	0.5
833.38763	1.8
835.41260	2.4
845.39697	1.6
863.40552	100.0
864.40717	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	863.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	0.6
68.05033	0.8
69.07085	0.6
70.06589	100.0
71.06921	0.8
84.08165	1.1
86.09705	5.8
91.05480	1.3
98.06067	0.9
98.22616	0.8
100.43948	0.4
103.05418	0.7
103.20734	0.4
112.07598	6.4
115.08701	1.4
119.04956	1.3
119.83166	0.4
120.08101	13.7
126.05518	0.5
126.09161	3.3
127.05069	0.6
127.08687	1.2
130.04997	0.7
132.08159	0.6
136.07571	22.6
138.12798	0.7
139.08658	1.4
145.06081	1.3
148.07605	0.5
153.10248	0.8
155.08160	1.6
157.09738	2.0
167.08185	1.4
171.11264	1.6
177.10251	1.3
181.09695	1.0
183.14923	12.2
185.09274	1.4
196.10861	1.4
199.10796	1.3
205.09732	2.2
211.14407	3.5
215.13881	2.4
217.13283	0.7
222.12396	0.5
224.10310	1.3
233.12831	23.3
234.13187	0.8
238.12219	0.8
242.11354	1.0
250.15620	0.4
251.13835	0.6
257.12796	0.8
261.12308	8.9
274.11807	0.7
275.13889	0.4
278.14966	1.1
280.16556	1.1
283.14410	3.9
285.12375	0.8
292.12915	1.0
294.18164	2.5
303.13370	0.6
311.14008	0.9
312.19232	3.6
313.11972	0.9
317.14886	0.6
330.14523	0.6
342.40540	0.5
344.16162	0.8
355.20056	0.5
359.16962	0.8
362.17239	0.7
368.15881	0.7
380.20035	0.8
381.21127	0.5
399.22592	0.6
405.18146	0.5
408.19376	2.5
409.24734	0.5
410.17441	0.5
438.23450	1.1
456.24652	1.4
457.24646	0.6
465.21478	2.1
474.27887	0.5
481.24310	0.5
482.24063	0.6
502.26700	1.0
506.23767	0.7
509.24103	0.7
517.20740	1.0
524.25092	1.6
534.23718	3.0
548.24957	0.5
552.24579	9.3
558.29761	0.5
566.26196	0.5
572.30115	1.1
585.30200	1.0
603.31732	1.1
608.27313	1.0
631.27509	0.5
649.29846	0.6
653.29150	1.5
674.26093	0.5
719.37378	0.8
734.38416	0.5
750.34601	0.6
762.38092	1.3
801.40002	0.8
817.41034	0.5
819.41052	1.5
827.40582	1.2
835.43243	1.5
845.41699	8.2
846.41315	0.6
863.43109	7.0
864.43170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.0
65.03952	0.4
67.05499	4.0
68.93752	0.4
69.03432	2.4
69.07065	2.2
70.56249	0.5
71.01365	0.4
71.05024	0.4
73.02924	3.1
79.05490	4.3
81.03426	1.4
81.07058	3.8
83.04981	0.6
83.08628	0.8
85.02897	4.2
91.03975	2.1
91.05475	3.4
93.07034	4.6
93.07539	0.4
95.04992	1.2
95.08595	2.1
97.02885	3.4
97.06564	0.6
97.10197	0.9
99.04441	0.6
99.22029	0.4
101.02399	1.4
105.07031	2.8
107.08601	2.6
109.02905	0.7
109.06507	0.6
109.10178	0.9
117.07043	0.7
119.08562	1.8
121.10168	1.4
125.09645	0.5
127.03953	1.5
129.05495	0.4
129.07088	0.6
131.08565	0.9
133.10117	2.0
135.08096	0.5
135.11757	1.0
143.08611	0.4
147.11728	1.1
149.13300	0.5
159.11777	0.5
173.13251	0.5
175.73067	0.4
185.04317	0.6
243.08411	2.9
299.19656	0.4
301.09076	1.3
313.09137	0.4
315.10590	0.4
333.20316	0.4
351.21295	2.6
369.15524	0.4
391.24722	0.5
407.24182	0.6
449.24619	0.4
465.20587	0.6
499.21805	0.6
535.28772	5.6
541.22577	0.5
569.29291	8.0
570.29865	0.6
641.31671	0.9
863.51154	100.0
864.51569	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	864.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.6
65.03933	1.8
67.05486	0.6
69.03426	1.1
71.04965	0.1
73.02911	0.3
81.03397	0.5
82.04180	0.5
85.02900	4.2
91.03934	0.6
93.03410	0.4
95.04967	0.8
97.02900	1.4
97.06516	0.7
99.04436	0.7
101.02357	0.2
108.02047	0.3
109.02892	0.6
110.03660	1.0
111.04427	0.6
123.00788	0.2
123.04382	0.2
125.05999	0.7
127.03908	1.8
138.03088	0.7
140.04680	1.2
142.02591	0.5
145.04965	1.3
153.05455	2.1
155.07022	0.5
163.05980	1.6
171.06519	3.5
177.05432	0.1
180.08693	0.1
181.04941	100.0
182.05293	1.7
199.04396	0.2
199.05930	0.6
219.85558	0.1
223.06015	1.6
283.08170	0.2
283.12152	0.1
289.09134	0.1
325.09171	0.6
343.10208	34.6
344.10510	0.9
345.93076	0.1
361.10886	0.2
505.15424	0.9
578.79700	0.2
733.04651	0.1
768.02106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.8
63.40413	0.2
65.97594	0.2
67.25555	0.2
69.00970	0.3
69.03426	2.6
69.85220	1.0
71.01347	0.4
71.04991	2.2
73.02911	4.8
79.47415	0.3
81.03408	0.9
83.04958	1.9
85.02901	4.9
87.04453	0.4
89.03897	1.6
94.14205	0.3
97.02880	4.3
98.23409	0.3
101.02369	0.3
106.06536	0.6
111.04408	0.8
115.03911	0.9
117.03368	5.2
127.03865	0.4
129.05460	0.6
133.04945	0.3
135.04405	0.5
145.02837	17.4
145.07582	0.5
146.03128	0.3
146.06079	0.3
149.05978	2.0
151.08694	1.9
160.06277	0.8
161.07050	0.6
163.03955	0.6
173.07089	8.3
174.07845	0.7
177.05460	28.6
178.05785	0.4
184.07755	0.3
185.07100	0.4
186.07784	0.5
187.08635	1.6
191.08138	61.0
192.08401	1.3
195.06499	1.0
205.09712	3.1
214.09726	0.5
215.08115	2.2
229.09845	0.2
232.10785	3.4
233.09184	49.2
234.09483	1.3
247.10805	0.4
250.11847	100.0
251.12280	2.4
257.09143	0.6
265.11801	1.0
274.11722	0.3
275.10318	1.4
292.12866	2.5
299.09988	0.3
311.95044	0.3
316.12970	0.4
321.09586	0.6
328.12836	0.4
337.44293	0.2
339.10681	9.5
341.10995	0.3
358.13657	0.3
376.15045	1.2
379.14856	0.7
382.16043	0.7
396.12671	0.4
396.17639	5.5
412.17023	1.2
426.16452	0.5
528.21478	0.4
588.21857	14.4
589.21533	0.7
598.24585	0.3
734.27356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.2
69.03428	3.7
70.70452	0.5
71.01338	0.9
71.04980	2.8
73.02911	6.5
78.03904	0.3
79.36037	0.3
81.03376	1.0
83.04970	2.4
85.02397	0.5
85.02889	6.4
87.04424	0.5
89.03896	2.5
97.02887	6.2
101.02370	0.3
106.06551	0.4
106.98291	0.3
111.04403	1.0
115.03912	0.7
117.03361	6.2
127.03928	0.5
129.05475	1.0
133.04974	0.3
133.07622	0.4
134.05954	0.4
135.04414	0.5
145.02826	20.6
145.07518	0.4
146.03206	0.4
149.05949	2.2
151.08644	3.1
160.06290	1.0
161.07085	0.4
163.03915	0.9
166.08629	0.5
173.07083	10.4
174.05550	0.3
174.07800	0.7
177.05444	37.9
178.05756	0.7
186.07866	0.6
187.08652	2.3
191.08124	70.1
192.08496	1.2
194.68159	0.3
195.06511	1.0
205.09700	3.6
214.09824	0.4
215.08127	2.5
232.10805	5.4
233.09178	69.9
234.09537	1.9
247.10786	0.8
250.11836	100.0
251.12201	2.0
257.09152	1.0
265.11807	1.6
274.11884	0.9
275.10172	2.3
292.12924	2.1
296.10068	0.3
299.10315	0.5
316.12717	0.3
321.09720	0.6
339.10703	9.1
341.11276	0.7
358.13965	0.4
363.13602	0.3
376.14972	0.9
378.16611	0.6
379.14966	0.6
382.15936	0.8
396.17642	4.7
412.17020	0.8
426.16629	0.5
528.21844	0.6
588.21759	11.5
589.21393	0.9
734.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2371
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
63.18581	0.4
71.42188	0.6
82.87048	0.4
93.93813	0.4
130.04930	0.4
169.79443	0.4
172.44998	0.4
213.63142	0.3
225.22597	0.4
344.14359	0.4
381.08365	0.4
469.13013	0.4
543.13232	5.6
705.18396	17.6
706.19116	0.8
867.23627	100.0
868.23767	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	867.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94707	1.0
70.82399	1.4
71.02927	0.8
77.14429	0.9
79.31710	1.0
86.07442	0.8
104.57379	1.3
105.27695	0.9
146.10240	0.9
212.08221	1.1
476.98596	0.9
524.03021	1.0
543.13342	3.0
705.18341	19.3
706.19281	1.3
806.80688	1.0
867.23639	100.0
868.23792	5.6
895.55035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.237
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04526	1.1
71.42247	1.0
77.05521	1.3
122.92907	1.1
127.47482	1.2
127.67879	1.0
175.42015	1.2
230.94415	1.1
260.03848	1.1
266.13553	1.1
364.95157	1.3
371.71509	1.2
388.75571	1.3
543.12518	1.2
705.18372	22.5
706.32574	1.5
867.23627	100.0
868.23608	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	867.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.7
63.02394	0.2
69.03425	1.7
71.01344	0.3
71.04992	1.5
73.02911	4.1
75.04484	0.3
75.35371	0.1
77.03917	0.3
79.05476	0.3
81.03409	0.5
83.04980	1.1
84.04492	0.2
85.02901	4.1
86.03259	0.1
86.52224	0.1
87.04440	0.3
89.03885	0.8
91.05466	0.9
93.07014	0.2
95.04935	0.3
97.02889	2.7
97.89722	0.1
99.04497	0.2
99.05573	1.9
103.03945	0.2
105.03374	0.3
107.04958	0.6
109.06511	0.6
110.06036	0.2
111.04456	0.8
115.03927	0.8
117.03386	1.1
119.04945	1.3
121.06500	1.1
127.03915	0.4
127.62704	0.1
129.05464	0.9
130.04999	0.2
133.04994	0.4
134.06010	0.2
135.04410	2.3
136.07549	0.3
137.05974	2.1
137.07013	0.3
138.09119	0.2
145.02838	3.2
146.03181	0.4
146.06000	0.2
147.06512	0.5
148.07558	0.7
149.05988	0.8
151.06262	2.4
163.03891	18.0
164.04262	0.4
165.07886	0.2
166.08621	19.3
167.08997	0.4
168.37517	0.1
171.06555	0.2
172.07584	0.3
173.07100	0.4
173.35959	0.1
174.05539	0.4
174.07379	0.2
175.06236	0.2
176.07085	0.4
177.05441	2.6
178.05841	0.7
181.04961	0.6
185.43320	0.1
187.06221	1.0
187.08731	0.3
188.07059	2.9
189.07808	0.5
191.08133	3.9
192.08461	1.1
193.03156	0.3
202.08621	4.4
205.09711	0.2
206.08099	3.9
206.09972	0.3
211.07156	0.3
214.07324	0.5
215.06042	0.2
215.08052	0.6
219.11327	0.6
220.09709	0.4
225.07600	0.3
229.09714	4.5
230.08089	2.6
230.10078	0.3
232.08424	1.4
232.10689	0.3
233.09180	4.7
233.11507	0.3
234.09482	1.5
235.48854	0.2
247.10760	11.4
248.09061	1.7
250.11844	7.3
251.12227	2.7
265.11804	100.0
266.12067	2.9
294.07971	0.2
307.08109	0.2
307.12845	0.2
322.07312	0.2
325.09161	3.3
339.10706	0.5
340.11124	0.4
374.91693	0.1
391.15063	0.4
396.17584	0.3
397.10577	0.5
397.16165	0.2
411.17401	0.2
427.17102	1.0
496.46924	0.2
543.21674	0.3
588.21704	0.4
589.20288	12.9
590.20764	0.8
619.92505	0.1
721.24414	0.4
735.25952	1.4
867.30377	1.0
868.30170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.4
69.03420	4.3
71.01337	1.2
71.04627	0.4
71.04982	4.5
71.42923	0.3
73.02908	10.2
81.03403	0.9
83.04976	3.4
83.31769	0.2
85.02894	10.7
87.04457	0.6
89.03916	1.7
93.47142	0.2
95.04943	0.4
97.02882	6.7
99.04458	0.7
101.02340	0.5
103.03926	0.3
106.06548	1.2
109.02911	0.5
110.96564	0.2
111.04417	2.2
111.72534	0.2
115.03934	2.5
117.03364	6.2
127.03913	0.6
129.05466	2.3
132.04443	0.3
133.04951	1.1
134.03592	0.4
134.05977	1.0
135.04404	0.9
139.03856	0.6
145.02832	20.5
145.07628	0.3
146.03151	0.4
146.05968	0.5
147.06535	0.9
149.05945	2.1
151.08649	4.9
158.05998	0.4
160.06233	0.4
161.07062	0.5
163.03922	2.3
170.05959	0.3
173.07089	8.9
174.07578	0.3
176.07060	0.3
177.05446	40.7
178.05878	0.7
185.07056	0.7
186.05606	0.3
186.07896	0.6
187.08638	2.8
191.08125	48.1
192.08443	1.2
195.06541	1.5
200.07066	0.3
205.09695	3.5
206.08080	0.5
215.08185	2.2
225.07550	0.5
227.08229	0.3
229.09810	0.3
229.42769	0.2
232.08350	0.8
233.09177	48.0
234.09496	1.4
239.07890	0.3
243.07607	0.3
245.09122	0.7
247.10777	1.1
248.09077	0.4
250.11777	1.5
251.10234	100.0
252.10544	2.4
257.09222	1.0
261.09424	0.3
263.10226	0.4
265.11871	1.4
275.10239	2.7
293.11273	3.0
299.10162	0.7
311.10349	0.5
317.11203	0.8
321.09668	0.7
325.11978	0.5
329.11246	0.3
339.10709	11.6
340.11176	0.5
341.11307	0.7
343.12924	0.5
359.12158	1.2
361.13992	1.4
368.87549	0.3
377.13361	2.5
379.14975	1.2
383.14362	1.0
397.16006	4.5
425.15295	0.4
427.15021	0.2
529.20184	1.3
589.20190	9.0
590.20428	0.5
735.24719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.0
69.03425	3.8
70.92236	0.3
71.01331	0.7
71.04991	4.6
72.21369	0.2
73.02912	8.7
75.04453	0.4
79.05460	0.3
81.03411	1.4
83.04971	3.1
85.02900	9.2
87.04469	0.8
89.03905	1.4
97.02259	0.3
97.02889	6.4
99.04436	0.6
103.03927	0.4
106.06548	0.7
109.02887	0.3
111.04442	1.7
115.03896	1.8
117.03368	4.3
120.84840	0.3
127.03838	0.6
129.05478	1.9
133.04965	1.1
134.06009	0.7
135.04443	0.4
145.02835	16.5
146.03156	0.4
146.06003	0.4
147.06476	0.8
149.05984	1.4
151.07567	0.4
151.08665	3.7
158.06041	0.3
160.06255	0.4
161.07100	0.3
163.03899	2.2
171.06554	0.3
173.07108	5.9
174.07732	0.3
176.07028	0.5
177.05458	37.3
178.05753	1.0
185.07143	0.3
186.07895	0.4
187.08664	1.6
191.08138	38.5
192.08488	1.2
195.06512	1.1
205.09706	2.3
206.08165	0.4
215.08107	2.2
225.07542	0.6
232.08456	0.7
233.09189	42.3
234.09529	1.4
239.08089	0.3
243.07747	0.2
245.09187	0.4
247.10783	0.7
248.09212	0.3
250.09354	0.4
250.11772	1.8
251.10243	100.0
252.10576	2.5
257.09189	0.9
263.10254	0.4
265.11850	2.2
275.10211	2.4
293.11346	3.4
299.10236	0.8
311.10318	0.4
317.11179	0.7
321.09756	0.5
323.10349	0.5
329.11105	0.5
339.10712	12.4
340.10962	0.5
341.11270	0.6
343.12827	0.6
359.12216	1.4
361.13828	0.8
370.79492	0.3
377.13461	2.3
379.14896	1.0
383.14340	1.0
397.16003	4.5
413.15790	0.3
425.15390	0.6
529.20117	1.2
589.20270	8.3
590.20355	0.6
635.92993	0.3
705.41577	0.3
735.25769	0.5
745.77032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.1
67.05497	0.3
69.03426	5.1
69.37449	1.3
70.06580	0.7
71.01363	1.8
71.04990	6.2
73.02914	18.0
75.04471	0.7
77.62088	0.3
79.05496	0.8
81.03407	1.4
83.04980	5.5
85.02901	14.2
87.04450	1.2
87.61676	0.3
89.03911	2.0
95.04955	0.3
97.02888	7.5
99.04439	0.9
103.03949	0.5
107.04959	0.8
109.02860	0.6
111.04446	3.0
115.03928	3.9
117.03378	2.2
117.05736	0.4
127.03873	1.3
128.19083	0.3
129.05470	3.3
129.06941	0.4
132.04459	0.4
132.08112	2.0
133.04956	1.9
135.04407	4.9
139.03888	0.3
142.37373	0.3
144.08113	0.7
145.02849	4.4
146.06062	0.4
147.06517	1.9
148.07512	0.4
150.09135	3.3
158.09656	0.7
160.06395	0.4
160.07539	2.0
161.83493	0.3
163.03897	41.3
164.04266	0.7
171.06429	0.3
173.07033	1.3
175.06326	0.3
176.07068	0.3
176.09483	0.5
177.05484	1.1
177.10179	0.3
178.08656	0.7
181.04921	1.9
181.50009	0.3
184.07506	0.3
186.09169	1.0
187.08643	4.3
189.10223	2.4
190.11031	0.7
191.08139	0.9
201.10191	0.7
202.10999	14.4
203.11757	1.5
204.08943	0.9
204.12596	1.1
205.09735	0.8
206.08116	1.9
212.10428	0.3
213.10156	0.3
215.11827	0.7
217.13382	1.1
219.07817	0.3
219.11331	1.3
220.12033	1.3
221.12842	1.1
223.10793	2.8
225.07626	0.8
229.13394	1.8
233.12918	0.4
245.12831	0.3
247.14409	7.8
250.13148	1.8
265.15463	100.0
266.10141	0.6
266.15820	2.1
275.13922	0.6
290.13919	0.4
307.08173	0.4
307.16470	0.6
325.09161	8.0
326.09665	0.4
339.10580	0.3
355.16537	0.3
373.17566	0.4
374.12405	0.6
391.18616	2.2
397.19846	0.9
398.16977	0.5
411.09479	1.5
411.21292	2.5
427.21024	0.3
543.25323	0.9
554.16272	0.7
571.22882	0.3
589.23889	25.5
590.24109	1.6
721.28430	0.5
735.29681	2.6
867.33594	0.7
867.93097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20444	0.5
67.05453	0.7
69.03383	1.5
69.61287	2.4
70.06546	1.3
71.04926	1.4
73.02875	1.2
81.03351	1.2
81.06983	2.0
83.04901	1.0
85.02887	2.8
91.05447	0.6
93.06990	0.8
95.08529	1.0
97.02864	1.4
101.02274	0.6
105.01794	0.7
107.08527	0.8
109.02818	1.3
111.04375	0.8
119.03326	1.5
119.08527	0.7
121.10105	1.1
127.03827	2.4
132.05241	0.6
145.04829	0.6
147.11592	1.0
163.03935	1.2
173.04460	0.7
177.05424	1.0
178.05798	0.7
181.04796	0.9
182.52893	0.6
183.60536	0.6
188.04265	0.8
191.11554	0.8
232.33876	0.5
233.11713	1.8
246.12086	0.9
248.13469	0.8
257.22687	0.9
258.22922	0.7
262.15121	1.0
263.09146	0.7
276.16772	3.2
290.18307	2.2
303.23062	0.7
328.17456	3.1
331.17212	0.7
341.17361	0.8
347.20386	0.7
357.16547	2.9
359.20605	0.7
361.22052	0.7
375.23685	1.7
376.17801	1.4
385.16138	6.7
407.21072	1.0
417.19022	2.2
427.24344	2.3
445.18304	100.0
446.18542	5.6
456.25977	0.8
458.27487	4.6
459.21570	0.9
460.25629	0.7
495.26447	0.7
506.27783	1.1
544.26953	2.5
569.33820	0.7
571.35913	2.6
595.33459	1.2
643.33582	1.3
702.40021	1.6
708.41132	0.9
740.38855	2.1
839.45410	7.7
867.45074	92.3
868.45203	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	868.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.7
69.03424	3.0
70.38073	0.4
70.38418	0.3
71.01354	0.6
71.04697	0.2
71.04993	2.7
73.02914	6.2
75.04481	0.4
79.05479	0.4
81.03398	0.8
83.04977	2.4
85.02898	6.5
87.04469	0.3
87.53584	0.2
89.03902	1.6
91.05450	0.3
97.02886	4.9
99.04459	0.3
101.31486	0.2
107.04936	0.7
109.02801	0.3
111.04442	1.3
111.53937	0.2
115.03925	1.7
117.03378	2.2
127.03886	0.6
129.05464	1.1
133.04980	1.0
135.04416	5.3
145.02855	4.4
145.03960	0.5
145.05150	0.3
146.06059	0.5
147.06511	0.8
163.03897	41.0
164.04253	0.8
166.08638	0.7
174.05478	2.2
175.06265	2.0
176.07036	1.2
177.05457	0.8
181.04889	1.2
187.06152	0.4
188.07019	1.6
190.03177	0.3
191.08235	0.2
202.08562	0.5
206.08116	48.4
207.08473	1.3
220.09647	3.4
225.07680	0.3
233.09068	0.3
234.02263	0.5
248.09175	43.4
249.09520	1.6
250.11880	0.4
252.08669	0.6
253.11797	0.2
255.46342	0.2
265.11792	0.6
266.10214	100.0
267.10532	2.8
289.35275	0.2
307.08325	0.4
325.09180	9.0
326.09552	0.4
428.15552	0.9
463.44727	0.3
539.61316	0.2
548.16504	0.3
590.18817	5.7
591.19257	0.3
803.65759	0.3
847.47675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59704	0.3
67.05498	0.6
68.59593	0.3
69.03426	2.1
70.39945	0.3
70.77584	0.6
71.01342	0.6
71.04987	2.7
73.02905	1.2
75.04482	0.7
81.03399	1.0
83.04987	2.4
85.02401	0.7
85.02895	10.6
89.03912	2.0
97.02882	4.9
99.04423	0.5
103.03950	0.9
106.06557	0.7
107.04938	0.8
107.67625	0.3
109.02824	0.4
111.04442	2.6
113.02345	1.8
117.03361	2.2
125.05962	0.7
127.03894	0.8
129.05460	1.7
131.03384	2.9
133.02806	0.6
133.05231	0.3
134.05988	0.4
135.04398	4.3
145.02858	4.0
145.63425	0.3
147.06503	1.0
151.08638	2.1
153.05414	0.6
157.04898	0.4
161.07071	0.7
163.03893	35.9
164.04216	0.7
173.05629	0.4
173.07108	7.5
174.07799	0.8
181.04926	0.7
183.06470	1.3
185.07240	0.5
186.07787	0.4
187.08624	1.4
191.08133	58.4
192.08418	1.6
199.08704	0.4
205.09721	2.9
215.08179	2.0
232.10799	4.4
233.09181	66.0
234.09520	2.3
247.10696	0.8
247.57968	0.4
250.11841	100.0
251.12134	2.6
257.08954	0.7
259.08224	0.3
274.11755	0.6
275.10175	1.8
276.37219	0.3
281.09204	0.5
292.12936	1.7
305.11331	0.4
307.08096	0.7
310.12021	0.4
325.09134	6.8
358.13977	0.5
376.14722	0.6
379.14825	0.4
380.72415	0.4
396.17569	1.8
406.15921	0.4
412.16904	1.4
422.15472	1.5
526.20398	3.0
572.18768	2.2
574.20245	12.1
575.20160	1.0
590.19434	1.3
704.21613	0.5
730.17590	0.4
794.31000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57101	0.5
67.05505	0.9
69.23326	0.5
77.87026	0.5
81.07055	0.7
92.88313	0.5
95.08636	0.5
97.06507	0.6
98.09583	0.5
111.35220	0.5
112.25049	0.5
160.73831	0.5
163.11230	0.5
177.19577	0.5
212.50789	0.5
306.78848	0.5
337.27850	0.5
643.24933	0.5
747.95465	0.6
869.42889	100.0
870.43176	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	869.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	1.9
67.16776	0.8
67.57247	0.9
69.07091	1.2
70.88407	0.7
75.59884	0.8
79.05507	1.5
81.07054	2.0
85.63946	0.9
91.05492	0.9
93.07093	1.2
95.08620	1.1
98.23431	1.9
103.58427	0.8
105.07056	0.9
114.75633	0.8
130.12473	0.9
337.27466	2.5
433.44907	0.9
529.22705	1.0
544.55548	1.0
591.21204	1.0
869.42920	100.0
870.42957	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	869.429
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34712	0.4
67.05495	0.6
68.05022	0.6
69.48148	1.5
70.02941	1.1
70.06585	100.0
71.06932	0.7
72.08150	6.1
81.07077	0.4
87.05592	1.5
91.05480	0.7
93.07053	0.5
96.08090	2.3
97.07644	3.3
98.06021	0.4
98.09699	0.6
99.51627	0.4
115.08684	1.6
119.75640	0.4
120.08093	10.5
125.07106	18.9
126.05531	0.4
127.05014	0.4
127.08691	1.6
130.06517	8.5
130.07439	0.7
131.42586	0.4
132.08078	2.8
137.07138	0.5
139.08698	1.8
141.10161	1.9
144.08116	1.5
151.08644	0.6
152.07033	0.4
155.08141	3.3
156.08092	0.4
159.09166	16.3
160.07564	0.5
163.03897	1.2
165.05505	0.6
167.08162	2.0
168.08075	0.4
169.07623	3.3
169.09769	1.2
169.13345	17.6
170.06006	3.3
171.09155	1.0
177.10284	1.4
185.10742	0.5
187.08711	1.4
195.07599	3.1
195.09099	0.5
195.14932	1.1
197.12846	6.3
202.90105	0.4
203.11829	0.7
204.11490	0.4
205.09695	3.2
206.12906	2.1
211.12221	3.2
212.10358	1.5
214.09776	1.1
219.14992	1.4
221.12830	1.5
223.12157	0.5
224.14021	0.5
226.11877	1.3
234.08737	0.5
238.13611	0.6
239.08170	0.5
249.12334	4.9
252.09695	0.5
252.13428	1.5
256.10736	0.7
256.14410	11.5
257.14816	0.4
259.14609	0.6
269.12543	0.9
276.13531	0.6
277.11740	2.4
282.15952	0.6
284.10364	3.8
284.13977	7.6
286.15347	0.4
293.16122	0.8
294.14502	1.6
301.13007	1.7
301.16611	1.2
302.15036	0.7
304.16550	0.7
311.17123	1.3
325.09097	0.6
325.18835	0.8
330.18115	0.9
344.19757	1.2
345.19382	0.5
353.16107	0.6
370.18784	2.8
373.18729	0.7
398.18234	15.7
399.18286	0.6
401.21826	1.7
424.19312	0.4
444.25989	2.7
458.23743	0.5
469.21802	1.7
472.25549	9.8
481.22034	0.5
495.23532	1.1
509.21530	1.1
515.27002	0.5
526.23926	1.1
541.27728	0.7
559.27039	0.8
566.30554	0.7
569.27222	1.2
577.27625	1.3
586.29730	1.3
594.30157	1.7
602.33569	0.4
628.29108	0.8
656.27972	2.1
673.30817	2.0
727.36938	1.1
741.36920	0.9
755.37616	1.4
770.36224	0.5
783.34467	1.1
798.38831	0.6
824.41095	2.4
841.43536	3.4
851.40887	0.5
852.40533	8.0
853.39850	0.7
869.43634	12.8
870.43604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.6
63.02377	0.2
69.03063	0.3
69.03425	5.0
69.07056	1.1
69.22647	0.7
69.23050	0.5
70.60821	0.2
71.01347	1.4
71.04984	6.6
72.71335	0.2
73.02911	11.1
75.04478	0.4
79.05484	0.4
81.03415	1.1
81.07043	0.4
83.04975	4.5
85.02895	11.3
85.06527	0.4
87.04459	0.8
89.03901	2.6
91.05470	0.7
95.04950	0.7
97.02254	0.4
97.02880	6.8
97.06517	0.5
98.22703	0.4
99.04452	0.8
101.02370	0.2
103.03904	0.5
103.05453	1.2
105.06987	0.3
107.04927	1.1
109.02870	0.5
111.04436	2.8
115.03918	3.1
115.05392	1.0
117.03365	3.4
117.07005	5.1
119.04929	0.2
119.08544	0.3
121.06478	0.3
123.04430	1.5
127.03908	0.6
129.05458	2.9
129.06964	0.3
131.04913	3.6
131.08540	0.6
133.04930	1.4
133.06485	0.6
135.04398	9.8
137.05960	2.3
139.03897	0.5
141.06946	0.4
143.03465	0.3
143.04939	0.4
143.08551	0.3
144.05748	0.2
145.01688	0.3
145.02835	8.5
145.06473	12.5
146.06889	0.3
147.04399	0.6
147.06502	1.9
149.05957	7.8
151.07532	0.3
154.07729	0.5
157.05090	0.3
157.06465	0.2
157.10156	0.2
158.07262	0.6
159.04413	0.2
159.08043	1.6
159.11699	1.1
160.05180	0.2
161.05943	1.3
162.06743	0.7
163.03882	100.0
163.07501	9.8
164.04216	1.6
165.05458	0.7
169.04907	0.3
169.10123	0.9
173.05952	3.7
173.09552	0.3
174.06729	0.3
175.07515	0.9
176.04649	0.3
176.08296	0.5
177.05421	1.3
177.09093	0.4
178.06133	0.4
179.07024	0.2
181.04942	2.7
182.07208	0.3
183.06506	0.3
185.09648	0.2
186.06709	0.3
187.05995	0.2
187.07535	0.5
187.11153	3.2
189.09097	0.7
190.06320	0.3
191.07004	23.9
192.07312	0.4
195.06407	0.2
197.09554	1.1
200.08395	0.2
203.10579	1.0
204.07831	0.5
205.12224	5.8
215.10643	2.5
225.07524	0.8
233.11693	63.3
234.11974	1.3
243.08627	0.5
251.12752	30.3
252.13060	0.5
261.09665	0.3
291.08463	0.2
295.07971	0.5
296.13474	0.2
307.08167	1.1
309.09634	0.9
325.09137	22.3
326.09412	0.6
379.17484	0.3
397.18661	0.3
435.12729	0.3
454.43719	0.2
471.14539	0.3
577.57904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.5
62.49107	0.1
63.02386	0.3
65.03924	0.1
67.05495	0.1
69.03424	2.5
69.03799	0.1
70.71270	0.1
71.01354	0.6
71.04581	0.1
71.04988	2.7
73.02911	4.3
75.04458	0.2
77.03912	0.1
79.05485	0.4
81.03413	0.9
83.04974	1.6
85.02900	5.5
86.73447	0.1
87.04469	0.3
89.03907	2.4
89.04460	0.1
91.05476	0.4
95.04955	0.3
97.02885	5.0
97.06577	0.1
98.23494	0.1
99.04458	0.5
101.02357	0.2
103.03931	0.2
103.56413	0.1
105.04519	0.1
107.04948	1.0
109.02863	0.3
109.06508	0.1
111.04449	1.1
113.05998	0.1
115.03915	1.1
117.03373	3.5
117.85717	0.1
119.04926	0.2
123.04418	0.2
127.03889	0.7
129.05478	1.0
133.04970	0.5
135.04407	8.9
136.04698	0.1
137.05972	3.0
138.06322	0.1
139.03908	0.3
141.06903	0.1
144.82143	0.1
145.02835	8.7
146.03191	0.1
147.06516	0.5
152.94147	0.1
157.04944	0.1
159.07990	0.1
161.05939	0.2
163.03885	100.0
164.04210	1.7
165.05522	0.1
169.04962	0.1
169.10098	0.1
171.06497	0.1
173.05910	0.1
175.07683	0.1
181.04942	1.5
185.09630	0.1
186.06808	0.1
187.07523	0.1
189.09106	0.3
193.08575	0.2
197.09561	0.2
201.09071	0.1
213.09088	0.1
215.07195	0.1
215.10678	0.8
225.07573	0.3
231.10156	0.2
233.11662	1.1
243.08688	0.1
251.12782	0.2
257.11630	0.1
259.09564	0.5
265.06940	0.1
277.07053	0.1
277.11288	0.1
291.08517	0.1
295.07941	0.3
307.08157	0.7
309.09689	0.4
325.09143	21.6
326.09485	0.6
379.17566	0.2
471.14966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	0.7
65.03911	0.3
69.03426	2.8
69.78482	0.3
69.78851	0.5
71.01318	0.9
71.04987	2.9
73.02914	6.9
75.04457	0.3
79.05458	0.2
81.03380	0.6
83.04548	0.2
83.04977	2.6
85.02896	7.0
87.04434	0.6
89.03893	1.5
91.05471	8.0
95.04959	0.4
97.02887	4.2
98.09686	0.2
99.04419	0.5
103.03905	0.3
106.06519	0.9
107.04917	0.6
109.02879	0.3
111.04449	1.3
115.03916	1.8
117.03374	1.7
119.86591	0.2
127.03877	0.8
129.05487	1.4
132.04419	0.4
133.04947	0.9
134.05983	0.4
135.03458	0.3
135.04410	3.4
139.03868	0.4
145.02826	3.6
145.07657	0.3
146.05994	0.6
147.05446	0.3
147.06502	0.8
160.06316	0.9
161.07060	0.4
163.03891	30.1
164.04257	0.4
173.07091	7.7
176.07053	0.6
177.05415	0.3
181.04906	1.2
191.08138	11.6
233.09178	0.6
237.10240	0.3
238.08882	0.2
238.10913	1.2
243.08806	0.2
250.10840	1.0
251.11775	15.2
252.12189	0.5
261.10150	0.5
263.11813	0.5
263.60532	0.2
269.12814	100.0
270.13120	2.9
275.11725	0.4
293.12814	1.4
307.08075	0.6
311.13907	3.6
325.05359	0.5
325.09161	7.7
335.13867	0.6
347.13858	0.4
359.13931	0.5
377.15039	1.2
379.16568	0.7
395.15927	1.5
397.17514	0.4
401.17178	0.8
411.52017	0.2
415.18631	3.9
416.18933	0.4
431.18164	1.1
443.17999	0.5
547.22852	1.3
575.20221	0.3
593.21173	12.0
594.21234	0.4
597.56464	0.3
739.27362	0.5
840.46118	0.5
842.48004	0.3
843.47217	0.3
853.45233	0.4
870.28711	0.2
870.46613	14.8
871.46637	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	871.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.3
65.03931	0.7
69.03421	4.4
69.35499	0.4
69.35914	1.0
69.55286	0.2
70.02901	0.4
71.01347	2.0
71.04984	5.4
73.02911	15.0
75.04472	0.6
77.81202	0.3
79.05487	0.6
81.03407	1.3
83.04969	5.3
83.24940	0.3
85.02897	14.3
86.25082	0.4
87.04453	1.2
88.96830	0.3
89.03909	2.2
91.05468	17.7
93.01579	0.3
94.06574	0.3
95.04946	0.5
97.02886	9.2
99.04431	0.5
103.03925	0.4
103.65103	0.3
105.03373	0.4
106.06555	2.9
107.04941	1.0
109.02876	0.4
110.06091	0.3
111.04426	2.9
115.03912	3.3
117.03377	2.7
117.05753	1.7
118.06561	0.8
120.08044	0.5
122.06030	2.1
127.03879	1.1
129.05476	2.8
130.06502	1.2
132.04457	1.0
133.04997	1.4
134.05994	2.1
135.04404	6.0
135.06734	1.0
139.03824	0.4
143.07260	0.4
145.02834	6.4
145.07593	0.6
146.05989	1.2
147.05484	0.6
147.06508	1.3
148.07526	0.5
152.07118	0.3
153.07922	0.6
160.06288	0.3
163.03886	48.6
164.04187	0.9
166.08627	0.4
170.09564	0.4
172.07532	0.3
173.07098	4.2
176.07074	0.9
177.05406	0.4
179.08495	0.4
180.08080	0.9
181.04930	1.3
182.09663	1.6
191.08260	0.9
194.09673	0.8
195.09154	0.6
196.11281	0.5
204.07967	0.4
206.09660	3.5
208.07542	1.4
208.09927	1.1
209.08351	0.3
209.10721	0.4
210.09167	0.6
216.08130	0.4
217.08875	0.5
219.09125	0.5
222.09183	0.7
223.08653	0.6
223.12270	2.5
224.09204	4.0
225.07562	0.7
229.67366	0.3
233.10651	1.7
234.09196	2.6
234.11378	0.6
235.08376	1.5
236.09422	3.1
237.10106	1.4
238.10959	1.0
241.13226	0.5
242.11720	0.3
243.08733	0.5
248.09424	0.6
249.10170	1.1
250.11035	2.7
251.11777	41.4
252.10065	0.9
252.12163	1.1
253.10854	0.3
260.00928	0.3
261.10168	1.0
263.11700	1.1
267.11032	0.7
268.11975	1.8
269.12811	100.0
270.13092	2.6
275.11746	1.1
293.12805	2.7
299.11960	0.5
307.07990	0.5
311.13861	4.6
313.13315	0.3
317.12631	0.6
325.09143	12.4
329.12653	0.4
335.13641	1.0
347.13864	0.7
359.14005	0.3
361.15308	0.5
377.14871	1.5
379.16339	1.5
395.16104	2.2
397.17346	0.8
401.16928	1.0
415.18564	6.0
431.17935	1.0
434.50717	0.3
443.18024	1.0
474.60309	0.3
547.22565	2.2
575.19623	0.4
593.21228	15.1
594.21265	0.6
635.21448	0.4
723.65851	0.4
725.24536	0.4
739.27344	1.6
854.97595	0.3
871.30762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	0.6
69.41153	2.1
69.41562	1.2
71.08626	1.8
81.07050	0.6
81.45367	0.5
83.32135	0.5
85.10186	1.8
95.08594	0.8
112.99999	3.0
134.98167	8.5
169.02568	4.0
170.02876	1.5
209.01871	1.6
216.20923	0.7
249.54324	0.5
313.27414	5.9
314.27875	0.7
447.24786	100.0
448.25003	2.1
468.16095	0.6
522.64636	0.6
535.95978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	35.4
69.06700	3.5
69.07062	30.7
69.07440	1.9
70.49856	1.7
71.05001	2.3
71.08624	2.6
79.05493	12.3
81.07050	36.3
83.08617	17.1
91.05471	5.2
93.07045	13.2
95.08594	29.4
97.06539	4.9
97.10162	9.2
98.09676	3.2
105.07022	2.1
107.08604	7.1
109.10152	12.6
111.08055	2.2
113.00003	80.1
115.65575	1.7
119.08571	3.7
121.10134	7.1
123.11704	5.9
135.11687	6.4
137.13275	2.2
149.13268	2.5
161.13322	2.2
163.14842	1.7
169.02602	68.9
187.03587	4.3
196.07318	2.0
229.15340	2.1
237.22015	2.3
263.23764	3.2
311.25784	72.4
312.26001	3.2
337.27319	100.0
338.27792	3.6
405.23920	5.2
538.48950	2.0
694.61584	2.4
735.46259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.9
61.65958	2.8
65.03938	3.9
67.05501	100.0
68.39473	2.9
69.03424	19.8
69.07062	65.0
71.01337	3.3
71.05006	15.5
73.02914	6.3
73.41946	2.9
79.05041	5.8
79.05486	90.8
81.03410	19.5
81.07050	87.4
83.04964	18.0
83.08601	19.0
84.04485	4.7
85.02890	8.6
85.06541	8.9
91.05473	69.4
93.07038	79.3
95.04975	28.8
95.08596	48.0
97.02885	11.7
97.06525	65.0
97.10156	20.7
99.08082	5.3
103.05475	4.2
104.64371	2.7
105.04527	5.5
105.07027	62.5
107.04962	21.3
107.08582	48.7
109.06517	23.4
109.10153	26.6
111.08058	10.3
113.09621	3.6
115.05437	6.2
115.07564	17.7
116.06271	3.0
117.06998	23.0
119.08565	37.6
121.06496	9.6
121.10116	25.4
123.08059	15.0
123.11723	6.2
125.09624	17.5
127.03898	5.4
128.06197	4.1
129.06987	18.4
130.05023	5.2
131.08574	37.6
133.06487	7.7
133.10123	38.4
135.08058	15.7
135.11685	15.1
137.09581	5.5
141.06950	4.5
143.08548	17.6
145.06491	3.1
145.10100	20.7
147.07872	8.7
147.11659	18.2
149.09653	13.7
149.13242	10.0
153.07062	2.9
153.09108	3.5
155.08482	5.7
157.10139	12.8
159.08035	7.6
159.11655	16.9
159.26724	2.8
161.09639	7.9
161.13235	9.4
163.11151	12.6
169.10075	6.7
171.11688	10.6
173.04430	3.8
173.11789	5.2
173.13249	8.0
175.11176	5.0
177.12737	3.5
179.10799	3.9
183.11685	6.4
185.13264	6.4
188.45261	3.1
189.11237	13.6
193.12250	4.7
195.13789	5.1
197.13208	5.0
199.14828	3.8
202.62912	2.7
217.15747	5.4
223.13206	7.0
227.12761	19.8
229.14360	11.2
233.15425	4.7
255.15851	4.5
257.18991	7.1
259.20334	4.9
269.17499	23.7
273.18542	29.4
275.20090	28.7
289.18173	3.6
291.19507	36.5
292.19507	3.3
333.24045	3.7
347.22110	6.5
349.23520	18.6
365.23206	18.8
367.24933	4.6
403.16495	3.1
449.28677	4.8
463.30573	4.4
519.32886	12.6
541.34894	4.3
543.36572	7.3
559.36047	24.7
581.38824	5.2
621.41260	5.7
639.42285	19.1
657.42957	9.0
861.90906	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	872.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02866	1.3
61.03160	0.4
67.05499	3.9
69.03435	1.9
69.07014	1.4
69.92587	1.1
73.02862	1.5
77.19022	0.5
79.05480	2.7
81.03344	0.6
81.07048	3.5
83.08568	0.6
85.02843	1.6
87.04459	12.4
91.03894	0.4
91.05492	1.8
93.07038	1.7
95.04921	0.8
95.08607	1.9
97.02876	2.0
101.02333	0.6
105.06956	1.1
106.06545	2.7
107.07311	0.6
107.08549	0.9
109.10095	1.2
115.03925	0.4
117.05695	1.2
117.06960	0.6
118.05785	0.4
118.06533	7.3
119.08524	0.7
120.08077	0.6
121.10077	0.7
123.11626	0.4
127.57508	0.4
130.06451	1.7
131.07315	3.7
131.08403	0.6
132.07260	0.4
132.08069	3.7
133.08873	0.7
133.09982	0.4
134.09618	1.4
144.08073	0.8
145.08832	0.9
145.10043	0.5
146.09622	5.5
147.11610	0.4
158.09589	0.5
160.11220	5.6
162.12738	0.6
172.11143	1.0
174.12732	1.6
186.12808	0.4
188.14349	0.5
202.15811	0.4
204.10291	0.8
232.13245	1.3
244.20575	6.8
254.60416	0.4
260.16257	0.4
272.20074	55.1
273.20465	1.7
290.21130	10.0
321.21222	0.4
335.25732	1.5
346.23718	4.0
358.08804	0.4
358.23758	1.4
364.24777	5.9
376.24792	29.0
377.25046	0.8
396.87366	0.4
416.27676	0.6
426.03790	0.4
432.27582	1.6
433.89218	0.4
594.32379	1.2
606.45117	1.0
624.46582	1.4
710.49866	6.4
872.55157	100.0
873.55969	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	874.284
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21519	0.7
70.21850	1.0
73.02925	0.7
85.02917	1.2
85.35812	0.5
91.27206	0.5
98.23405	0.7
135.04366	0.7
151.08664	0.7
153.11719	0.5
162.69702	0.5
163.03975	1.9
173.07104	0.8
199.19080	0.5
215.71555	0.5
232.10910	1.4
233.09201	0.6
237.07182	0.5
250.12007	0.7
254.09160	1.2
255.09822	0.7
272.10086	7.6
288.08286	0.6
290.10022	1.1
295.09348	0.6
300.09543	9.0
301.09128	2.2
306.09412	0.8
308.10965	2.5
314.11066	3.6
315.66360	0.5
319.10495	0.5
332.10782	0.7
342.10001	0.7
356.11856	0.7
398.13013	1.0
400.77353	0.6
416.14249	7.9
543.83453	0.5
562.20258	1.4
596.18237	23.2
597.18799	1.1
642.87787	0.5
694.24371	0.8
742.24194	4.1
874.28418	100.0
875.28540	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	874.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.1
62.51178	0.2
63.02380	0.5
64.18100	0.2
67.01842	0.6
67.73283	0.2
67.76668	0.2
68.99789	0.3
69.03072	0.3
69.03426	4.8
69.76141	0.6
71.01334	0.9
71.04988	6.0
73.02911	11.8
75.04470	0.3
81.03407	3.3
83.04977	4.2
85.02900	11.8
87.00832	0.3
87.04461	1.1
89.03911	3.9
90.41502	0.2
91.05466	0.6
95.04936	0.6
97.02886	6.2
98.22816	0.3
99.04474	1.0
103.03937	0.5
104.07107	0.3
104.95594	0.2
106.04108	0.2
109.02164	0.4
109.02866	4.2
109.03556	0.4
111.04435	3.4
113.05994	0.5
115.03919	3.2
117.03368	11.7
118.03783	0.3
119.04962	0.4
123.04380	0.3
124.05201	0.2
127.03899	4.3
127.04750	0.4
129.05453	3.1
131.04829	0.2
133.04959	1.7
134.03633	1.0
135.04390	1.6
137.05978	1.9
139.03876	0.5
145.02834	42.9
146.03174	0.7
147.04378	0.6
147.06519	1.1
149.05960	4.4
153.05476	0.2
157.04977	0.3
161.05997	0.3
163.03883	4.8
165.05486	1.5
171.06459	0.5
175.07581	0.3
177.05452	100.0
178.05817	2.3
179.07037	0.6
181.06451	0.4
186.05492	0.5
189.05576	0.2
189.07515	1.2
195.03784	0.2
195.06506	5.8
203.07059	0.3
213.03967	0.6
217.08533	0.4
225.07555	0.8
225.37260	0.2
235.54121	0.2
241.08597	0.7
242.06827	0.4
243.08781	0.3
245.08099	2.0
250.03926	0.3
254.09236	0.4
255.07663	0.3
259.09607	0.4
263.09128	0.8
272.10300	1.0
273.08701	2.0
274.11780	0.8
275.84583	0.3
285.07733	0.4
303.08524	0.3
321.09662	0.9
323.11206	0.2
325.09320	0.3
331.11749	0.8
339.10815	1.0
349.09091	0.6
367.10361	0.6
381.52768	0.2
407.09482	0.4
411.09061	1.3
425.10748	37.2
426.11041	1.8
561.15845	1.4
571.16248	0.3
596.18591	1.0
597.17145	1.5
655.93054	0.3
743.21857	0.2
874.27710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.5
62.22066	0.2
63.02364	0.3
67.01858	0.3
67.05497	0.2
68.99782	2.2
69.03068	0.2
69.03423	3.7
69.09684	1.3
70.06606	0.2
71.01339	0.6
71.04592	0.2
71.04987	4.6
73.02913	10.9
75.04471	0.5
76.02229	0.2
79.05484	0.6
80.90379	0.2
81.03414	2.8
83.04977	4.4
84.04512	0.2
85.02899	10.0
87.04453	0.4
89.03908	3.6
91.05498	0.4
95.04950	0.7
97.02885	4.9
98.22726	0.4
99.04453	0.9
101.02373	8.3
103.03912	0.4
107.04967	1.2
108.70702	0.2
109.02178	0.3
109.02875	3.3
111.04434	2.8
113.02406	0.2
115.03923	2.8
117.03365	4.5
119.02689	0.2
119.03410	0.9
119.04948	0.3
119.08637	0.2
123.04422	0.4
125.02332	0.3
127.03907	3.5
127.81047	0.2
129.04570	0.2
129.05470	2.6
131.04922	0.2
133.04962	1.4
133.06522	0.2
135.04410	10.5
137.05969	2.5
139.03876	0.5
143.18251	0.2
145.02840	10.0
146.03238	0.2
147.04387	0.7
147.06494	1.2
149.05989	0.2
150.07693	0.2
151.03853	0.4
153.06975	0.2
161.04433	0.2
161.05994	0.4
163.03889	100.0
164.04227	1.9
164.09149	0.2
165.05473	2.1
167.06981	0.2
169.04909	0.2
171.06546	0.3
175.07469	0.3
175.14883	0.2
177.05492	0.6
179.07059	0.4
181.04933	1.7
181.06468	0.5
189.05415	0.4
191.07062	0.3
195.06442	0.3
199.07501	0.2
203.05347	0.2
203.07080	0.3
209.05899	0.2
215.06960	0.2
217.08582	0.5
221.08125	0.3
225.05565	0.2
225.07599	1.0
227.05185	1.2
227.07162	0.5
243.06479	0.3
243.08704	0.3
245.08221	2.6
261.09665	0.3
263.09131	1.4
271.06052	1.2
289.07053	0.7
296.13260	0.2
307.04678	0.2
307.08057	1.5
308.08856	0.4
317.10181	0.8
345.09381	0.2
363.10757	0.5
365.08508	0.2
381.11682	0.5
383.09515	0.2
389.08505	0.3
407.09982	0.3
425.10770	17.4
426.10953	0.9
461.13934	0.2
461.28986	0.2
511.12473	0.3
561.16077	2.1
571.16406	0.2
656.98590	0.2
875.29468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.9
65.03923	1.1
67.05514	1.9
69.03429	2.6
69.59660	1.6
70.06552	0.5
71.01375	0.7
71.04980	1.4
73.02905	1.9
73.87714	0.4
81.03389	0.7
81.07057	0.5
83.04973	42.5
84.05311	0.6
85.02896	100.0
86.03260	1.0
87.04460	0.7
89.03905	2.0
90.04216	0.4
91.05478	0.8
97.02888	4.1
98.23418	0.5
99.03303	0.4
99.04448	1.0
101.06013	0.6
111.04433	25.1
113.06027	0.5
115.03891	0.5
117.03352	6.3
118.03745	0.5
127.03893	6.0
129.05470	11.3
129.06964	0.6
132.13599	0.4
134.03580	0.6
135.04407	2.2
136.04735	0.5
137.04913	0.4
145.02834	23.7
146.03172	0.9
149.05920	1.3
149.90442	0.4
151.07512	0.6
163.03885	18.7
164.04222	9.8
165.04422	5.0
166.04689	1.1
171.06509	72.1
172.06862	1.6
177.05452	73.7
178.05830	1.3
179.06920	0.6
181.04913	0.5
189.07562	43.7
190.07869	0.5
195.06465	1.7
277.01779	0.4
321.09589	0.9
325.08929	2.3
326.09430	2.3
327.09610	1.7
328.09961	0.9
329.09735	0.5
333.11697	1.6
339.10699	23.6
340.11255	0.6
365.12241	0.5
509.16275	0.8
527.17834	0.5
590.10364	0.4
636.45081	0.4
689.22095	0.6
875.29547	7.1
900.51099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.2
63.02394	0.3
69.03427	1.7
70.93650	0.4
71.01372	0.4
71.04991	14.5
72.05336	0.2
73.02908	0.6
75.04462	1.2
77.59064	0.2
78.04722	0.2
81.03410	1.1
83.04977	10.0
85.02896	7.4
87.04459	1.6
87.63539	0.2
89.03911	2.5
91.05482	0.3
95.04963	0.3
97.02883	3.7
99.04436	0.8
107.58633	0.2
109.02872	0.5
109.67642	0.2
111.04438	18.0
113.05991	6.1
115.03933	1.4
117.03374	8.9
117.05486	3.3
121.06534	0.3
127.03876	1.1
129.05470	22.3
134.03641	0.4
135.04419	0.7
137.06018	0.5
145.02838	34.1
146.03168	0.7
147.04387	0.7
149.05980	3.4
151.07529	0.9
153.05481	0.4
161.87747	0.2
163.03880	1.7
163.07619	0.4
171.06528	8.7
177.05457	100.0
178.05806	1.5
179.06932	0.3
186.05489	0.4
189.07568	39.8
190.07892	0.4
195.06500	2.2
220.16130	0.2
238.19986	0.2
253.50394	0.2
277.10611	0.4
287.09146	0.6
305.10141	0.8
321.09674	1.0
339.10727	24.2
340.11035	0.6
350.10510	0.3
365.12109	0.7
411.09073	0.5
425.10837	2.0
434.57053	0.2
449.14612	0.3
527.17572	0.3
735.29266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10990	0.4
69.03440	0.8
70.06573	0.8
71.04996	0.9
73.02915	1.0
79.36902	0.4
81.03423	0.4
83.04971	7.0
84.05322	0.7
85.02900	17.9
86.03242	1.5
89.03957	0.5
91.05462	0.5
95.04962	0.5
97.02891	1.6
111.04434	4.3
112.04812	0.8
114.36617	0.5
117.03395	1.3
127.03936	1.4
129.05472	2.8
135.04445	0.6
137.06007	0.5
145.02818	4.0
145.03725	0.4
146.03223	0.9
146.28207	0.4
163.03883	7.9
163.65607	0.4
164.04216	3.8
165.04478	1.6
166.04681	1.0
171.06499	11.0
172.06860	2.9
177.05444	12.4
178.05818	2.8
181.04974	0.8
185.04262	1.1
189.07553	6.5
190.07951	1.6
195.06575	0.7
301.08804	4.8
319.10016	0.9
325.09283	0.6
326.09451	0.8
327.09717	0.8
339.10751	2.9
340.11221	2.2
417.15216	1.6
597.19226	9.9
598.20081	0.6
636.44519	0.5
743.25330	3.3
875.29291	100.0
876.29620	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	876.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	0.7
69.03421	2.2
71.01337	0.5
71.04987	1.5
73.02915	4.4
73.61248	0.2
75.04457	0.2
75.64927	0.2
79.05442	0.3
79.20692	0.2
81.04536	19.1
82.05309	0.3
83.04973	1.8
85.02908	3.8
89.03891	1.3
97.02371	0.3
97.02898	3.4
98.65647	0.2
107.02486	0.2
107.04900	0.7
111.04404	0.4
115.03912	0.9
117.03377	1.4
129.05452	0.4
129.11737	0.2
133.05060	0.5
135.04417	3.2
145.02843	2.8
146.06001	0.3
147.06432	0.3
154.45433	0.2
161.04628	0.3
163.03894	19.9
164.04227	0.3
174.05492	0.9
175.06259	1.1
176.07057	3.3
181.04846	0.6
185.09360	0.3
188.07019	1.3
194.08122	11.2
199.07266	0.4
206.08116	11.4
207.08554	0.2
213.08928	0.4
227.10550	0.5
229.08311	1.3
241.08458	2.1
242.09148	0.4
244.07164	0.6
256.10794	6.3
258.08817	0.3
274.11838	100.0
275.12143	2.7
307.08325	0.3
316.12793	0.3
325.09195	2.1
344.31952	0.3
436.17047	1.8
580.19330	0.3
598.20270	38.6
599.20905	2.0
651.46570	0.3
730.23700	0.5
741.59686	0.3
744.26373	2.5
748.32471	0.3
876.29681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.3
66.91366	0.6
67.00774	0.5
69.03433	3.7
69.04559	4.0
71.01336	1.1
71.04999	3.7
73.02915	15.1
74.33091	0.6
75.04468	0.6
81.03424	1.0
81.04538	8.3
83.04975	4.6
83.06074	0.6
85.02905	12.3
87.04452	1.0
89.03914	1.4
91.05441	0.5
94.06542	0.7
97.02887	6.6
99.04444	1.1
106.06544	1.6
108.06866	1.0
108.09188	0.5
109.02871	0.9
109.03999	18.5
109.07634	8.2
111.04432	1.9
113.02382	0.7
115.03934	3.8
117.03362	2.7
121.07582	2.8
122.06002	0.6
123.09126	0.8
124.06397	0.6
127.03913	0.7
129.05470	2.3
132.04449	1.6
133.04964	1.5
133.07657	1.1
134.06059	0.7
135.04393	5.3
137.07095	3.6
139.08664	21.7
145.02838	5.5
147.05458	1.0
147.06496	1.2
148.06314	1.0
149.07097	8.0
150.05547	0.7
150.07886	2.3
151.08665	6.9
161.07088	8.4
163.03897	39.5
164.04250	0.8
165.90579	0.5
167.08160	29.2
173.07156	0.8
177.06516	0.7
179.08151	11.1
181.04994	1.2
184.08722	3.3
191.08165	0.7
194.07127	1.0
196.28368	0.5
207.07669	2.1
211.09766	1.0
212.08186	3.8
213.11195	0.5
214.08476	1.2
221.09175	0.9
226.08521	1.1
227.09351	4.6
229.10838	3.9
230.09293	1.6
239.09369	2.4
240.07664	5.1
241.08449	0.9
241.10754	4.5
242.09148	1.7
245.10303	0.6
247.11870	9.6
257.10312	23.2
259.11911	6.9
269.10315	1.1
275.11374	100.0
276.11697	3.2
287.11447	1.4
299.11420	0.8
307.08130	0.8
317.12424	2.0
325.09195	5.3
383.13144	0.6
401.14380	1.8
421.17163	0.9
437.16467	3.9
491.16409	3.5
503.16669	0.7
510.33936	0.5
537.37396	0.5
553.21106	0.8
581.18597	3.7
583.20068	1.6
599.19781	24.8
600.19775	1.6
637.21912	2.2
745.25500	2.8
769.25452	2.2
859.27905	1.5
877.28760	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.1
67.05492	2.4
69.03431	1.0
73.02916	1.3
79.05508	1.1
81.07036	2.1
85.02893	1.8
87.05152	1.0
91.05474	1.6
93.07050	1.6
95.04981	1.1
97.02911	1.7
105.07075	0.9
107.08630	0.9
109.10142	1.1
136.06163	2.3
162.07771	4.0
243.08305	1.5
301.09045	0.9
385.18372	1.6
551.28711	1.0
567.25208	1.2
615.34528	1.0
791.41626	2.6
877.47089	100.0
878.46985	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	877.492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.0
67.05512	3.8
69.03436	3.2
69.07072	2.3
69.33516	3.2
73.02926	2.4
79.05496	4.0
81.03406	1.4
81.07058	3.7
81.69619	0.6
83.04983	1.2
85.02902	3.5
91.03968	0.8
91.05487	2.3
93.07036	2.9
95.04959	1.0
95.08611	1.8
97.02898	2.1
97.06512	1.4
101.02383	1.4
105.07067	2.5
107.08609	1.9
107.55679	0.6
109.02897	0.7
109.10179	1.3
115.05516	0.7
119.08620	1.1
131.08612	1.0
133.10210	0.8
143.08551	0.6
145.10194	0.9
159.11871	0.7
243.08469	2.6
307.58804	0.6
331.18890	0.8
333.20721	1.0
349.19931	2.1
352.95221	0.6
405.22668	0.7
439.19379	1.4
549.26819	1.3
551.28467	2.0
567.27686	3.0
569.29401	1.3
629.35327	0.7
877.49023	100.0
878.49280	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	877.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04200	1.4
63.35144	1.2
67.05508	13.0
67.93966	1.3
69.07063	5.8
79.05492	6.7
81.07051	15.2
83.08607	3.1
91.05485	5.6
93.07032	6.2
95.08601	11.7
105.07024	3.2
107.08578	5.5
109.10154	4.6
113.00011	100.0
119.08577	2.1
121.10159	4.4
135.11734	3.1
147.11697	1.7
149.13283	1.4
163.14832	1.5
169.02609	96.8
170.03003	1.5
171.02997	1.6
243.21152	2.3
245.22690	2.5
261.22134	9.5
263.23679	4.6
335.25668	6.9
337.27258	16.4
469.23300	2.2
585.48260	1.4
692.57611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25658	0.4
61.42804	0.4
64.02832	0.5
67.05509	1.0
71.25734	0.7
71.87806	0.4
74.97621	0.5
77.69091	0.4
79.05483	0.4
79.74010	0.4
81.03419	1.5
81.07057	0.6
84.96010	0.5
86.32715	0.4
95.04971	1.5
98.97575	24.8
106.98049	0.8
107.08612	0.5
109.06474	0.6
109.10108	0.8
116.98611	17.8
118.98002	0.4
124.99095	1.4
134.99641	6.8
137.02811	0.4
140.00198	1.0
143.00191	1.2
143.03801	1.1
151.00708	0.7
153.00827	0.6
153.02232	2.4
155.03851	0.5
159.03233	0.5
161.01324	0.5
161.04863	2.6
161.09665	0.4
165.02231	1.3
167.03856	1.5
169.01727	2.1
171.03270	3.3
173.13242	0.8
175.85944	0.4
181.01811	0.7
181.05345	6.0
183.03294	4.7
185.04907	2.3
187.02826	1.4
191.03757	0.6
191.14319	1.4
195.03218	0.9
197.01161	2.1
197.04842	3.0
198.01994	0.6
199.02782	1.2
199.06403	12.5
199.08167	0.8
201.04340	4.3
203.03795	0.5
203.05920	1.2
205.03764	0.5
205.05414	1.8
207.03400	0.6
209.04883	1.8
211.02689	0.7
211.06451	0.7
213.04306	1.2
215.02238	2.5
215.05975	2.2
215.10655	6.4
217.07457	1.9
221.04843	5.2
222.08011	0.5
223.06378	7.7
224.05998	0.5
225.04335	1.5
225.07991	0.8
226.05237	0.5
227.05905	1.8
227.09608	0.7
229.07401	0.6
233.03238	0.6
235.06389	2.1
237.04240	0.5
237.08017	0.6
239.05864	6.8
241.07440	12.9
247.06279	0.9
247.10095	1.3
249.04390	1.2
249.08043	0.7
253.07484	4.6
257.06970	0.9
259.08527	2.1
263.05881	4.1
265.07495	10.6
265.11093	7.7
265.13708	0.4
267.09045	0.7
269.10608	0.7
271.06345	1.3
271.08743	0.9
281.07019	1.8
283.08530	6.9
283.12137	5.9
287.09384	0.6
289.07455	6.1
289.10587	0.5
299.09488	1.3
301.07361	1.2
305.07196	0.7
305.10614	1.3
306.10953	0.9
307.08496	1.8
307.12122	6.4
309.09985	0.7
313.07312	0.5
313.10886	0.8
313.17932	0.8
317.10516	1.7
325.13269	2.4
327.12659	10.3
329.10678	0.4
331.08640	0.9
331.12164	2.5
345.13666	11.7
351.12637	1.9
368.15320	0.7
369.09415	0.8
369.13690	8.3
373.13223	0.5
387.14810	6.6
405.15790	1.3
411.14841	0.5
429.15814	100.0
430.16141	3.8
444.23853	0.4
447.16879	29.2
448.17310	1.3
470.18512	3.8
489.17877	6.4
507.18985	5.8
530.19806	0.5
886.07001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.0
67.05499	3.4
69.03424	3.7
69.07048	1.5
69.44926	3.5
73.02916	3.9
79.05490	2.4
81.03415	1.8
81.07063	3.4
83.04970	1.4
85.02901	6.1
85.81448	0.8
91.03952	4.1
91.05477	1.3
93.07042	3.5
95.04964	1.1
95.08608	2.7
97.02879	6.3
101.02393	1.3
105.07025	1.3
107.08598	1.8
109.10204	1.0
127.03934	2.2
135.11667	1.5
150.63666	0.8
185.04192	1.0
203.05263	1.2
221.11584	1.3
243.08473	1.3
277.14240	1.3
335.73477	0.9
347.09628	2.3
365.10358	1.1
389.54764	0.9
405.13614	4.3
439.19461	5.2
458.76459	1.0
519.29248	5.2
589.47919	0.9
601.24725	3.5
681.34625	7.6
879.47021	100.0
880.47247	8.4
888.32971	1.1
903.04877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.3
62.75382	0.4
63.79262	0.5
69.03428	4.2
70.49094	0.8
70.49438	0.6
71.01358	1.1
71.04990	5.5
73.02914	18.1
75.04491	0.6
81.03426	1.0
83.04989	3.1
85.02903	12.5
85.07675	2.2
87.04476	1.3
89.03924	1.1
93.44421	0.5
97.02879	5.4
98.97579	2.7
99.04473	1.5
101.02416	0.5
106.06567	0.9
107.05000	0.7
111.04468	1.7
115.03931	2.8
116.98637	1.5
117.03391	1.9
127.03906	0.9
129.05542	1.6
131.95889	0.5
134.06042	0.9
135.04430	4.3
145.02832	4.3
146.08141	0.8
158.99712	2.6
160.06335	0.8
163.03893	40.6
164.04358	0.7
173.07097	4.7
177.00708	4.0
181.05016	1.6
187.08757	0.7
188.09537	1.6
190.13470	0.6
191.08142	10.7
200.11902	0.8
201.10211	6.3
202.11061	0.9
205.09677	0.6
217.09853	0.6
218.12845	2.9
219.01880	1.9
219.11272	54.5
226.09886	1.3
228.10344	0.8
229.42188	0.5
236.13921	14.5
236.16173	0.8
237.02847	0.9
243.12529	3.8
244.10838	4.3
247.10971	1.4
261.13474	29.6
262.11807	1.2
278.16156	4.4
279.04037	1.1
280.04300	0.6
285.13562	0.6
286.11896	1.5
297.05411	0.5
303.14468	4.6
303.16913	0.4
307.08069	0.8
325.09265	2.6
327.14404	0.6
387.16736	0.6
429.10654	1.2
430.11374	1.3
463.09964	0.6
489.12793	2.5
490.13095	2.7
560.22681	1.6
585.21643	1.1
602.24701	3.4
659.46698	0.6
748.31506	1.0
863.31830	1.0
880.34491	100.0
881.34851	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	881.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.4
65.98419	0.1
69.03426	2.3
70.10336	0.1
71.01335	0.3
71.04987	1.4
72.63737	0.1
73.02915	2.9
81.03410	0.6
83.04978	1.1
85.02899	3.6
87.04449	0.2
88.58991	0.1
89.03909	1.5
91.05477	0.2
97.02884	3.7
99.04442	0.4
101.02365	0.2
109.02870	0.3
111.04426	0.6
115.03897	0.5
117.03371	4.4
119.04864	0.2
120.97256	0.2
127.03904	0.2
129.05493	0.5
133.04956	0.4
134.03592	0.2
135.04399	0.4
139.03804	0.1
145.02834	15.0
146.03183	0.2
146.05956	0.3
147.06516	0.3
149.05977	1.5
151.06252	0.2
163.03909	0.3
166.08649	0.9
174.05482	2.3
175.06250	2.1
176.07054	1.3
177.05455	29.3
178.05771	0.4
186.05469	0.2
187.06270	0.3
188.07072	1.5
189.07788	0.2
190.05026	0.2
195.06522	0.8
196.54936	0.2
202.08662	0.5
206.08107	56.4
207.08444	1.4
220.09702	3.5
221.10074	0.2
225.07622	0.2
229.09680	0.2
230.08098	0.6
247.10725	1.4
248.09160	66.5
249.09514	1.9
265.11807	100.0
266.12106	3.1
279.08664	0.3
279.13364	0.3
289.11841	0.2
290.10284	0.2
307.12943	0.4
321.09665	0.6
339.10715	9.1
340.11227	0.3
346.67368	0.2
391.15079	0.2
411.17511	1.1
427.16916	0.4
598.85883	0.1
603.21826	6.7
604.21710	0.3
718.75153	0.2
782.96558	0.2
800.09082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	5.3
69.03426	1.7
69.31013	6.7
78.73503	1.5
88.26671	1.5
93.07053	3.1
94.06557	6.9
97.02896	2.6
108.08081	1.8
121.10154	1.8
122.06043	15.1
128.81079	1.5
130.51929	1.8
134.05995	4.4
136.07574	10.8
138.09070	2.1
145.02873	2.0
146.06052	1.6
148.07581	2.1
163.03867	3.1
164.07045	6.2
166.08682	5.1
177.05438	2.7
213.10226	2.1
223.08679	5.6
223.12282	3.7
224.13016	2.0
225.10220	13.8
227.11583	2.1
235.08534	2.9
235.12364	3.2
236.09521	2.9
236.13091	2.3
237.10167	9.5
237.13873	4.8
238.11029	7.0
239.11760	8.8
240.12555	2.2
241.09680	2.6
248.09386	2.9
249.10185	14.2
250.10887	14.0
251.07986	8.7
251.11768	37.6
251.14247	3.0
252.12599	8.0
253.13248	4.5
262.11038	2.2
263.11755	30.3
264.09555	1.9
264.12589	20.1
265.09787	9.3
265.13348	52.1
266.10333	5.0
266.13934	5.6
267.14902	5.0
269.12683	2.6
277.09790	6.5
277.13184	3.1
278.10583	6.0
279.11237	19.4
280.11987	1.9
281.12753	8.2
283.10880	10.0
291.11230	8.6
292.11795	3.9
293.12820	15.4
294.13684	7.3
295.10657	5.4
295.14023	3.6
296.11575	8.9
296.89786	1.8
297.12262	7.5
298.13147	3.0
309.09384	1.1
309.12296	47.9
310.12875	6.1
311.13846	66.8
312.14383	2.9
319.10696	7.2
320.11560	3.6
321.12225	8.9
324.11002	6.1
325.11810	2.4
337.11807	51.1
338.12494	23.9
339.13373	61.0
340.13785	2.6
353.15002	4.3
356.13858	1.7
357.14505	6.4
369.14420	68.7
370.15054	6.4
371.16006	84.7
372.16562	3.9
386.18710	3.2
414.17987	4.8
416.19775	13.3
432.19186	20.1
437.99979	1.8
442.17923	7.8
460.18655	86.0
461.18689	2.6
462.20169	2.2
480.21283	64.9
481.21918	2.5
492.21240	100.0
493.21664	4.4
507.57040	1.7
515.19818	2.4
533.21130	2.6
538.21808	2.2
566.21277	40.5
596.22070	2.5
601.26514	50.7
633.28931	8.6
636.25226	6.8
643.27765	3.1
654.26459	4.8
669.25220	2.3
687.26544	22.4
708.23303	3.0
726.48962	1.7
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
61.02928	6.1
67.05502	3.2
69.03432	4.0
69.07076	0.9
71.43403	0.7
73.02921	4.2
79.05508	2.7
79.81967	0.6
81.03420	2.1
81.07052	3.5
85.02891	6.7
91.03945	3.5
91.05491	1.5
93.07033	1.7
95.04982	1.0
95.08637	2.8
97.02890	6.2
99.04501	1.0
101.02405	1.5
105.07025	1.3
107.08577	1.2
109.02908	1.0
119.08610	1.2
119.10436	0.9
121.10207	1.1
127.03939	2.2
147.11705	1.5
162.96716	0.7
185.04266	1.1
203.05376	0.9
207.55933	0.8
243.08452	1.8
253.66866	0.7
297.26825	0.7
347.09824	2.2
363.09183	1.2
365.10733	1.0
405.13632	6.4
417.25281	0.7
433.91061	0.8
441.21021	6.1
447.17926	0.9
468.55322	0.7
519.29437	4.3
603.26086	6.6
681.34900	6.3
719.42450	1.3
734.65283	0.8
881.48633	100.0
882.48999	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	882.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.4
71.01337	0.9
71.04990	3.2
73.02908	1.1
75.04455	0.4
81.03401	0.9
83.04971	2.5
84.08121	0.7
85.02900	10.2
87.04449	0.4
89.03912	2.0
95.04950	0.6
97.02891	4.3
99.04451	0.6
101.02355	0.6
103.03915	1.4
106.06538	0.6
108.04484	0.6
109.02876	0.5
111.04430	1.9
113.02357	1.5
117.03359	5.0
123.88955	0.3
126.05466	1.0
127.03952	0.7
129.05428	1.1
131.03369	2.6
134.06116	0.4
135.04413	0.6
145.02840	17.6
145.07561	0.4
147.06496	1.1
149.05992	1.9
151.08684	1.8
153.05380	0.3
160.06264	0.9
161.07117	0.5
163.03888	2.5
166.08644	0.7
173.07091	7.7
174.05605	0.4
174.07718	0.4
176.69907	0.4
177.05457	32.2
178.05820	0.4
185.07162	0.3
186.07829	0.5
187.08678	1.4
191.08134	55.8
192.08508	1.2
195.06511	1.2
204.11252	0.4
205.09688	2.8
215.08066	2.1
229.09605	0.4
231.10107	0.3
232.10793	4.0
233.09189	62.8
234.09505	1.4
235.16183	0.3
235.37952	0.3
247.10718	1.1
250.11842	100.0
251.12234	2.9
257.09232	0.7
261.08658	0.3
265.11829	4.7
274.11902	0.6
275.10248	2.0
279.08578	0.4
292.12939	1.8
299.10269	0.5
316.13107	0.4
321.09586	0.6
325.09052	0.4
339.10709	9.8
340.10864	0.3
341.11227	0.7
358.13956	0.4
360.04453	0.3
376.15054	0.8
379.15256	0.5
380.14288	0.5
396.17593	2.2
405.13156	0.3
406.16089	0.4
412.16827	1.4
422.15256	1.5
426.16721	0.5
526.20239	3.2
578.44342	0.4
588.21863	9.7
589.20972	1.0
718.23804	0.8
808.61646	0.4
882.32629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78287	0.2
67.01864	0.2
69.03423	1.6
71.01355	0.3
71.04986	2.2
73.02903	0.9
75.04480	0.4
79.05456	0.3
81.03400	0.5
82.01427	0.2
83.04978	1.8
84.42179	0.2
85.02902	7.9
87.04454	0.3
89.03915	1.3
91.12901	0.2
95.04958	0.3
97.02890	3.6
99.04436	0.6
101.02379	0.4
103.03956	0.4
106.84727	0.2
107.04945	0.6
109.02869	0.3
111.04440	1.9
113.02381	1.4
117.03371	1.7
121.06479	0.2
129.05447	1.4
131.03394	2.3
135.04402	4.2
135.05356	0.4
145.02843	3.1
146.05997	0.5
147.06519	0.9
151.03854	0.2
151.70935	0.2
157.04985	0.6
163.03893	30.7
164.04253	0.2
166.08620	0.9
174.05519	2.1
175.06264	1.8
176.07027	1.2
177.05504	0.3
181.04974	1.0
184.07642	0.3
188.07034	1.6
189.07600	0.3
200.07051	1.6
202.08624	0.9
206.08107	52.8
207.08485	0.8
218.08107	0.7
220.09683	3.1
229.09714	0.3
230.08009	0.6
241.07092	0.2
246.07642	2.3
247.10818	1.7
248.09157	67.5
249.09476	1.3
264.08780	0.3
265.11807	100.0
266.12137	2.7
282.99936	0.2
307.08072	0.6
307.12711	0.4
325.09134	6.8
395.14548	0.2
411.17569	0.7
421.15869	0.3
427.17093	1.6
541.20441	0.4
584.32764	0.2
587.18597	0.3
589.20178	5.2
600.99438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92441	4.0
85.02897	1.6
87.30270	1.2
136.43840	1.3
151.08417	1.6
163.03975	3.8
167.42009	1.2
239.11575	1.5
248.13783	2.3
250.08737	1.9
250.15305	2.1
251.09198	1.4
264.10446	1.3
282.11224	1.7
305.15854	1.3
389.51736	1.3
393.19177	1.8
404.22803	1.7
413.21719	3.0
416.79553	1.4
437.22153	1.7
534.56482	1.4
657.33807	1.7
733.34918	1.7
811.41766	4.4
823.44019	4.2
839.40289	3.7
855.43774	3.2
876.66504	1.4
883.43231	100.0
884.29279	5.7
884.43848	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	884.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.2
66.82944	0.1
69.03419	2.9
69.73154	0.3
69.73544	0.2
71.01347	0.5
71.04984	2.7
73.02910	4.6
75.04452	0.2
78.04666	0.1
79.04713	0.1
81.03402	0.7
82.85450	0.1
83.04971	1.8
85.02895	5.8
87.04463	0.3
88.69516	0.1
89.03902	2.4
91.05472	0.5
93.15204	0.1
95.04959	0.2
97.02885	4.7
99.04430	0.4
101.02398	0.2
103.03940	0.1
103.05479	0.1
109.02857	0.3
111.04435	1.1
115.03916	1.3
117.03362	8.4
119.04897	0.2
123.04438	0.1
127.03903	0.4
129.05467	1.4
131.04958	0.1
133.04938	0.6
134.03638	0.4
135.04405	0.7
137.05960	2.5
139.03854	0.1
145.02829	38.1
146.03160	0.5
147.04283	0.1
147.06508	0.7
149.05957	3.3
151.03864	0.1
153.05527	0.1
155.03191	0.1
157.04945	0.1
161.05914	0.2
162.03116	0.3
163.03838	0.6
165.05455	0.1
169.05026	0.1
169.10149	0.2
177.05446	100.0
178.05794	1.8
183.06699	0.1
186.05524	0.3
193.08597	0.2
193.78839	0.1
195.06480	1.5
197.09509	0.1
215.10641	0.6
225.07585	0.3
231.06483	0.1
233.11642	0.8
243.08612	0.2
243.96071	0.1
251.12646	0.2
259.09476	0.1
279.08517	0.2
299.12814	0.1
305.10175	0.2
309.09622	0.5
321.09698	0.9
323.11212	0.5
339.10696	28.0
340.10931	0.7
425.13434	0.1
485.16016	0.2
646.21484	0.1
820.44275	0.4
884.44830	0.5
885.27698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05026	0.4
70.06589	100.0
70.79192	0.2
71.06917	0.8
72.08154	1.5
72.49577	0.2
78.75577	0.2
84.08148	0.6
93.07055	0.4
96.08128	0.5
98.06049	1.1
98.09689	0.6
98.22636	0.6
101.07147	0.4
103.05482	0.6
105.07069	0.3
115.08691	2.5
116.07134	0.4
120.08097	17.7
124.11228	4.3
125.10707	0.3
126.05544	0.8
127.08673	7.0
129.06651	0.4
130.06595	0.3
131.04950	0.3
132.08113	0.9
137.07100	0.4
139.05075	0.6
141.10216	11.7
146.09628	2.0
153.10236	1.6
155.08130	6.8
156.08310	0.3
167.11855	0.9
169.09715	12.7
169.13353	8.6
170.09630	0.4
172.11188	2.5
174.12729	1.3
179.75696	0.2
181.09737	0.8
186.12393	1.1
191.11818	1.5
195.11330	1.1
195.15042	0.4
197.12860	2.1
198.12668	0.3
201.10344	0.3
201.13828	0.2
203.11900	0.5
208.14354	0.3
209.09280	0.3
209.12903	0.4
212.13963	0.7
217.13353	17.4
218.13657	0.4
219.11334	1.2
222.12689	0.3
226.11850	2.7
226.15477	1.4
229.09676	0.6
229.13449	0.9
231.11229	1.8
236.13998	0.7
243.14914	1.7
245.12837	8.9
252.13408	0.5
254.11479	0.5
254.15050	0.6
257.12933	0.4
262.15628	0.5
266.15051	0.8
270.16193	0.3
271.14499	0.7
271.18097	0.7
276.13336	0.6
280.16730	0.4
288.16867	1.1
297.15903	0.4
297.19333	1.6
299.13989	0.3
299.17493	0.5
302.15018	0.7
307.17941	0.3
314.18811	0.3
316.16559	6.4
317.17010	0.3
319.18182	0.4
325.18777	0.8
328.16705	0.4
342.18143	0.6
345.19354	0.5
347.17743	0.4
365.21921	0.5
370.21378	0.3
373.18637	2.5
374.18945	0.4
385.22443	0.5
399.19922	0.4
399.24451	0.4
401.17953	0.4
413.21664	1.3
418.21463	0.6
422.24023	0.7
427.23538	1.0
442.24512	0.6
444.22064	0.3
463.23367	0.6
470.24286	0.9
472.25452	0.5
475.23325	0.3
484.25345	0.4
493.27911	0.5
512.28973	0.8
520.25800	0.4
532.29456	0.7
541.31458	4.3
546.27167	0.3
551.30298	0.6
560.28607	2.7
569.30731	10.1
570.31226	0.8
577.31763	0.3
595.32379	0.5
603.33307	0.9
612.36072	0.3
631.32343	5.8
632.33185	0.5
640.34119	1.5
660.35162	0.8
671.35468	0.7
688.34601	2.7
709.40448	0.3
716.37628	1.3
737.40027	2.1
763.31262	0.3
785.39545	1.2
787.40570	0.6
813.43036	0.5
839.45081	0.4
856.47278	5.8
866.45917	0.5
884.46539	16.1
885.47321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
69.03424	4.2
70.06582	2.0
71.01336	1.0
71.04990	5.3
73.02915	11.7
75.04459	0.4
79.05469	0.5
81.03402	1.0
83.04977	3.8
85.02902	11.0
85.03414	0.6
87.04464	0.6
89.03910	1.9
91.05474	12.1
91.56698	0.3
94.16212	0.2
95.04964	0.6
97.02888	6.9
97.13101	0.2
99.04446	0.6
103.03951	0.4
103.05471	0.6
104.05016	0.4
105.71349	0.2
107.04946	1.0
109.02866	0.4
109.06521	0.4
109.72545	0.2
111.04443	2.2
113.02313	0.2
115.03927	2.7
117.03381	2.5
117.05763	3.3
119.04928	1.2
120.08091	0.4
121.06483	0.9
127.03889	0.8
129.05479	2.4
130.06499	0.7
132.04408	0.3
133.04962	1.3
135.04411	7.7
137.06012	0.4
139.03885	0.5
141.06955	0.3
143.07030	0.2
145.02841	4.7
145.03941	0.5
146.05992	0.5
147.06441	1.2
149.05951	0.6
151.07506	0.3
163.03894	55.9
164.04211	1.0
165.07005	0.3
167.07269	0.6
168.08084	0.4
169.04962	0.3
171.06494	0.4
175.06230	0.4
178.07779	0.3
179.08572	0.6
180.08026	1.1
181.04948	1.7
181.08694	0.7
181.10135	0.3
182.09598	0.8
188.07057	0.9
191.07195	0.5
191.08708	0.2
192.07990	0.3
193.08849	0.7
194.09666	1.3
195.06750	0.5
195.10393	0.4
196.11162	0.4
204.08174	0.4
205.08861	0.5
206.08098	0.5
206.09686	4.0
207.10365	0.9
208.07530	0.6
208.11218	1.3
209.08336	1.0
210.09100	1.6
214.08650	0.3
218.09602	0.5
220.07593	0.9
221.08325	0.7
222.09062	1.2
223.09868	1.9
224.07173	0.4
224.10684	5.3
225.07553	0.7
233.08365	0.6
234.09102	4.4
235.09875	3.5
236.07100	2.7
236.10565	1.3
238.08649	1.9
238.12250	2.9
239.09384	0.8
240.10143	0.5
248.10764	0.6
248.36336	0.3
250.08571	2.3
251.09402	15.9
252.10115	1.6
254.11783	0.6
266.11743	37.8
267.12054	1.2
282.10925	0.3
283.11954	0.6
284.12793	100.0
285.13113	3.0
307.08038	0.8
325.09186	13.7
326.09579	0.4
416.17279	0.2
430.18628	0.8
446.18228	1.1
538.97424	0.3
608.21252	7.2
877.13507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.6
69.27267	0.5
69.27674	0.8
70.06569	0.4
71.01340	0.9
71.04986	5.2
72.75288	0.3
73.02913	8.6
75.04454	0.3
79.05491	0.5
81.03401	0.9
83.04970	4.8
85.02900	10.2
87.04432	0.5
89.03901	2.1
91.05457	0.8
93.07055	0.3
95.04942	0.9
97.02887	6.8
99.04448	0.4
101.06010	0.4
103.03958	0.4
103.05505	0.3
105.07006	0.5
107.04940	0.7
109.02878	0.3
111.04422	2.2
115.03912	2.2
117.03362	3.1
119.04888	0.4
123.04399	0.9
127.03890	0.7
128.06245	0.3
129.05508	2.4
129.07005	1.3
131.04884	0.4
133.04955	0.7
133.06406	0.3
135.04410	8.4
137.05952	2.0
139.03896	0.4
142.07771	0.4
143.04877	0.3
145.02840	8.4
145.06477	0.3
147.04427	0.6
147.06506	1.7
147.08081	0.4
149.05966	1.4
157.06454	1.0
157.10100	1.0
160.05170	0.5
161.05968	1.2
163.03889	100.0
164.04207	1.2
165.05457	0.7
167.08534	1.1
171.06546	0.4
173.05917	0.4
174.06758	0.5
175.07538	5.6
177.05428	1.4
181.04915	1.9
185.09584	1.3
189.05435	0.4
191.07193	0.3
193.08594	3.2
195.07997	1.8
203.10654	4.1
213.09094	3.5
221.11697	1.1
225.07520	1.0
231.10159	10.3
243.08589	0.6
249.11203	27.7
250.11531	0.6
261.09692	0.6
291.12149	0.4
295.08081	0.8
307.08170	1.0
309.09540	0.7
315.04785	0.3
325.09149	21.8
326.09390	0.8
395.17130	0.6
440.91110	0.3
471.14813	0.3
492.58899	0.3
801.93671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.8
67.05161	1.9
67.05498	26.1
68.85915	1.0
69.03412	4.5
69.07057	4.8
70.06593	1.1
71.01350	1.6
71.04985	6.6
71.41644	1.1
73.02908	9.2
79.05043	1.8
79.05486	25.2
81.03409	10.8
81.07053	17.4
83.04968	13.4
83.08585	1.8
85.02892	13.2
85.06533	2.3
89.03924	3.5
91.03953	2.9
91.05466	14.4
92.34225	1.0
93.07036	21.9
95.01286	1.6
95.04955	12.7
95.08595	4.5
97.02881	9.5
97.06523	9.4
98.03223	1.1
99.04440	2.6
105.07039	6.7
107.04944	27.9
107.08582	12.9
109.02816	1.2
109.06525	2.4
109.10135	3.2
111.04436	14.0
111.08057	3.5
115.03899	1.8
117.03377	8.3
117.07020	11.2
118.03709	2.0
119.08558	10.8
121.06514	2.9
121.10135	20.9
123.04436	1.6
123.08052	1.5
125.05975	1.6
127.03886	2.4
129.05490	1.3
129.06992	3.8
131.04898	4.3
131.08565	6.0
133.10100	2.4
135.04317	1.1
135.08012	2.0
135.11682	25.0
137.05949	2.3
138.06271	1.7
143.08548	1.1
145.02835	32.8
145.04680	1.2
145.06456	6.6
145.08978	1.4
145.10110	27.9
146.03166	12.6
147.03352	1.3
147.04451	1.1
147.08052	2.2
149.06023	2.6
149.09598	4.7
149.30374	1.0
153.12769	8.3
155.08531	6.5
163.03902	12.1
163.06075	1.5
163.11157	37.6
173.09595	24.9
177.05449	100.0
178.05779	38.8
179.05968	11.5
181.12199	12.5
191.10651	13.9
195.06644	1.3
209.11742	7.9
227.12717	11.5
233.11688	1.9
265.14316	65.5
266.14606	1.5
267.15967	3.0
283.12161	1.7
283.15363	40.5
301.16415	43.2
325.09177	1.2
338.65726	1.0
339.10721	15.7
340.11047	13.4
341.11310	8.9
409.73462	1.1
445.25912	2.1
453.14337	1.0
463.26718	1.7
473.25375	17.3
491.26291	36.1
491.33511	1.9
492.26688	1.8
509.27295	19.5
510.25528	1.2
527.28485	62.7
528.28595	3.3
764.63470	1.0
779.39551	1.4
886.27032	2.1
886.43909	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	887.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66795	0.3
69.03423	6.2
69.27778	2.1
70.89092	0.4
71.01350	1.7
71.04986	6.4
73.02912	14.7
75.04451	0.6
78.78903	0.4
79.05479	1.0
81.03409	0.9
83.04969	5.2
85.02895	14.4
85.03413	0.7
87.04436	0.8
89.03931	1.9
91.05459	0.5
94.06525	0.4
94.76313	0.4
95.04963	0.9
96.31753	0.3
97.02879	8.4
98.23441	0.8
99.04415	1.0
101.02345	0.4
103.03925	0.7
104.05009	0.6
106.06546	2.6
107.04942	15.4
108.04352	0.4
109.02866	0.6
111.04434	2.9
115.03906	3.2
116.04983	0.5
117.03355	2.8
118.06526	0.5
122.06046	2.6
127.03887	1.2
129.05487	2.6
130.05061	0.5
132.04437	7.8
133.05154	2.4
133.07603	1.1
134.06015	2.2
135.04401	6.6
136.07539	2.9
139.03883	0.4
145.02831	6.6
145.07579	0.4
146.05945	2.0
147.06512	1.4
148.07553	1.0
149.06996	0.4
153.07838	0.9
154.08624	1.9
157.04889	0.5
158.05989	0.8
159.06770	0.5
161.05701	0.4
161.07085	14.1
163.03886	53.9
164.04236	0.7
171.06534	0.4
173.07091	3.1
173.51521	0.4
176.07010	1.8
177.05403	0.5
179.08182	1.0
181.04901	1.6
183.06514	0.4
185.07112	0.4
187.61203	0.4
191.08148	5.7
196.07642	0.4
212.07204	0.4
221.08498	0.4
222.09087	2.1
225.07561	0.9
226.08788	0.5
235.08586	0.4
237.10245	0.7
238.08672	0.6
239.11745	2.0
240.08699	4.0
248.91481	0.4
249.10284	0.9
250.08626	1.6
250.11029	0.6
251.08080	0.7
252.08904	2.2
253.09659	1.4
254.10393	0.6
257.12927	0.5
258.11292	0.4
264.09067	0.4
266.10342	2.1
267.11255	33.0
268.09479	0.6
274.11868	0.6
277.09805	0.5
279.11230	1.3
283.10693	1.2
284.11539	1.7
285.12299	100.0
286.12631	2.5
291.11243	0.6
297.12131	0.6
303.11215	0.5
307.08008	1.0
309.12384	2.7
325.09106	12.6
327.13364	4.7
351.13205	1.3
363.13367	0.5
377.15378	0.7
385.99991	0.4
393.14377	1.4
395.15939	1.1
411.15628	2.9
413.17044	0.8
417.16516	1.3
431.18204	5.4
447.17664	1.1
459.17401	1.2
563.22095	2.6
608.19635	0.5
609.20752	15.9
610.20813	0.9
741.24908	0.5
755.26324	1.9
765.29803	0.3
887.28937	1.6
924.81305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	15.4
69.07059	16.1
71.04976	0.8
71.08215	0.6
71.08620	10.6
71.12979	0.6
76.42316	0.4
79.05468	4.3
80.44465	0.4
81.07044	26.0
83.04936	0.5
83.08124	0.6
83.08611	9.2
85.06522	0.9
85.10175	6.0
89.06018	0.5
91.05479	3.0
93.07026	4.7
95.08593	23.0
97.06531	1.6
97.10156	4.6
99.08057	0.7
99.11714	0.5
105.07037	2.4
107.08571	4.2
109.06503	0.5
109.10143	11.0
111.08065	1.0
111.11713	1.6
113.00002	58.9
119.08569	2.4
121.10131	2.9
123.11705	4.0
131.01039	0.7
133.10094	2.0
135.11693	1.7
137.13263	2.0
139.01604	0.5
147.11681	1.3
149.13217	1.0
151.14798	1.0
161.13237	0.7
165.16383	0.7
169.02589	80.4
170.02939	0.8
175.14806	1.3
177.16350	0.6
179.17928	0.5
187.03648	4.7
216.87228	0.4
221.19102	0.5
239.23709	1.4
257.24835	1.1
259.24097	1.2
277.25232	4.1
293.98987	0.4
305.16959	0.5
313.27325	66.3
314.27710	1.7
333.27878	0.4
351.28888	100.0
352.29294	2.7
356.03528	0.5
358.92688	0.5
407.25507	13.4
445.26917	0.5
463.22180	0.7
555.47809	0.5
628.29248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02369	0.3
68.70163	0.2
69.03427	5.1
69.12193	1.4
71.01347	0.8
71.04627	0.5
71.04990	5.7
73.02912	10.8
74.58584	0.3
75.04452	0.6
79.05482	0.4
81.03403	0.8
83.04976	4.3
85.02898	11.4
85.88253	0.3
87.04458	0.8
89.03905	3.0
91.05466	0.5
95.04961	0.5
97.02885	8.0
98.23482	0.5
99.04468	0.6
99.82027	0.2
103.03934	0.6
104.05006	0.5
105.04469	0.3
107.04950	0.8
109.02876	0.6
111.04437	2.7
114.62171	0.3
115.03908	3.0
117.03365	3.9
118.06513	0.4
119.04867	0.3
123.04421	4.5
127.03927	0.8
129.05502	2.5
130.06522	0.7
131.07271	0.5
133.04947	1.5
135.04402	8.6
137.02339	0.5
137.06007	0.3
145.02835	7.5
145.03938	0.5
146.05994	5.7
147.06488	1.3
148.03903	1.1
149.04727	0.9
158.06018	2.4
159.06775	0.5
163.03891	71.2
164.04257	1.1
164.07050	0.7
167.08627	0.3
169.04865	0.3
175.06279	0.5
176.07054	4.6
177.05527	0.5
177.07890	0.3
181.04956	2.1
186.09547	0.3
186.59587	0.3
194.09599	2.0
195.08073	0.3
199.06219	0.6
204.08086	0.4
207.06775	0.3
208.07538	0.3
209.08380	0.9
210.08937	0.4
212.06837	0.4
214.08597	0.3
220.07568	0.8
222.09119	4.1
223.07564	0.5
225.07741	1.8
226.08577	0.4
235.06349	0.3
237.07805	3.8
238.08632	0.3
240.10173	5.6
243.08514	0.3
249.07698	0.3
250.08607	9.2
251.09308	0.9
252.06564	0.6
253.07397	0.8
254.08099	0.5
255.09035	0.5
258.11270	1.5
265.07019	0.4
266.07965	0.5
267.08878	0.7
268.09662	28.5
269.10074	1.0
282.11197	0.3
284.09113	1.4
285.09958	1.1
286.10712	100.0
287.11069	3.5
296.09402	0.4
298.10757	0.7
307.08185	0.6
310.10699	0.7
310.80603	0.3
312.84152	0.3
325.09158	15.6
326.09625	0.7
327.10938	0.9
328.11758	1.5
382.12845	0.5
410.96368	0.4
412.13937	0.5
414.15472	0.6
418.15057	2.5
432.16556	2.9
448.15701	0.8
460.15463	0.4
555.77393	0.3
592.18054	0.5
609.18073	0.4
610.19342	2.6
761.80615	0.3
889.28418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02360	0.6
65.03938	0.7
67.01859	0.6
67.05486	0.4
68.99797	0.2
69.03424	4.8
71.01347	1.0
71.04989	5.2
71.44106	0.2
73.02914	10.8
75.04450	0.3
79.05461	0.3
81.03410	3.4
83.04976	4.0
85.02899	11.1
87.00858	0.4
87.04442	0.6
89.03920	3.4
91.05478	0.8
93.07047	0.2
95.04968	1.1
97.02888	6.8
97.06519	0.3
99.04456	1.4
103.03947	0.5
109.02879	4.9
110.03665	0.4
111.04436	2.9
115.03923	3.2
115.05426	0.2
117.03368	12.0
119.04913	0.5
121.90134	0.2
127.03915	4.3
129.01794	0.3
129.05453	2.8
133.04956	1.7
134.03609	0.9
135.04398	1.0
137.05978	0.7
139.03876	0.6
141.05511	0.2
143.03339	0.3
143.04962	0.2
143.96753	0.2
145.02837	43.7
146.03207	0.6
147.06520	1.3
149.05965	4.5
150.06607	0.2
151.03897	8.2
151.04979	0.8
151.07506	2.8
152.04254	0.3
153.05444	0.3
153.07048	0.3
153.95052	0.2
161.05949	0.4
162.03203	0.4
163.03908	2.3
163.07600	0.4
164.04234	0.3
165.09062	0.4
169.04880	0.2
171.06516	1.0
171.07959	0.3
175.07520	0.8
177.05457	100.0
178.05804	1.6
179.06953	1.9
181.04950	11.5
186.05461	0.7
193.08580	1.0
195.06508	5.8
201.05447	0.2
203.06934	0.2
211.07645	0.3
213.03958	0.5
217.08549	0.7
225.07582	0.6
227.07059	0.3
229.08644	0.2
231.10173	1.4
234.04332	0.2
235.09589	0.3
241.08551	0.8
243.08844	0.4
257.12790	0.5
259.09656	4.3
261.07458	0.4
261.09900	0.4
277.10715	3.2
285.07642	0.7
285.12402	0.6
286.12759	0.3
296.13260	0.2
303.08600	0.5
321.09610	0.9
339.10736	0.5
345.09518	0.4
363.10626	1.5
365.08694	0.4
381.11569	1.1
383.09540	0.3
389.08411	0.3
391.48380	0.2
407.09650	0.7
425.10748	39.3
426.11127	1.0
433.11298	0.6
529.16473	0.3
557.15857	0.3
571.16003	0.3
575.17645	1.3
610.20276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.3
65.03940	1.1
67.01863	0.6
67.05499	0.6
69.03426	4.5
69.33971	1.5
71.01351	1.2
71.04984	4.5
73.02913	10.2
79.05476	0.4
81.03409	3.4
83.04974	3.4
85.02897	10.3
87.00811	0.5
87.04459	0.6
89.03911	3.1
91.05499	0.9
95.04963	0.8
97.02888	6.2
97.06537	0.5
98.22762	0.4
99.04439	1.6
106.61304	0.3
107.04918	0.4
108.02095	0.6
108.61670	0.3
109.02866	4.6
110.03674	0.4
111.04445	2.4
112.04739	0.4
115.03927	2.8
117.03369	11.5
119.04881	0.5
125.02313	0.4
127.03914	3.9
129.05466	2.5
133.04970	1.8
134.03592	0.4
135.04428	1.7
137.05975	0.4
139.03912	0.4
141.05449	0.5
145.02835	41.0
146.03226	0.5
147.06474	1.4
149.05963	4.4
150.06664	0.4
151.03903	10.7
151.05042	1.2
151.07512	2.3
153.05511	0.9
153.06927	0.3
161.05962	0.4
163.03862	2.2
164.04407	0.4
165.05626	0.3
165.09084	0.6
171.06532	1.2
174.69942	0.3
175.07547	0.5
177.05452	100.0
178.05824	1.5
179.06999	1.3
181.04938	16.0
182.05313	0.4
186.05472	0.4
193.08592	0.9
195.06526	5.9
195.08281	0.4
205.08701	0.4
213.03970	0.6
213.09032	0.4
217.08609	0.7
225.07536	0.8
231.10181	0.8
235.09703	0.3
239.11783	0.4
241.08511	1.1
257.12805	0.4
259.09644	4.2
267.11139	0.3
277.10672	3.0
278.27655	0.3
285.07489	0.5
285.12192	0.8
286.12674	0.3
321.09622	1.4
323.59644	0.3
339.10709	0.6
363.10617	1.1
381.11572	1.0
383.09555	0.6
407.09415	0.5
425.10748	34.5
426.10910	1.1
575.16943	1.2
703.17786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97206	0.5
65.03902	2.4
67.05500	52.4
69.03393	2.1
69.07063	15.2
71.04991	2.8
71.08579	1.0
73.02927	3.2
77.03897	1.0
79.05489	36.4
81.03382	1.6
81.07051	65.1
83.04550	0.5
83.04971	4.6
83.08613	9.3
85.02902	10.0
85.06541	2.9
90.35835	0.7
91.03957	5.4
91.05474	19.4
93.07038	54.1
95.04968	5.5
95.08599	30.0
96.08906	0.9
97.02879	5.5
97.06527	7.0
97.10148	1.2
99.04424	1.1
99.08064	2.6
105.04456	2.1
105.07024	9.4
107.04957	0.7
107.08586	29.6
109.06467	2.1
109.10146	10.4
111.08075	4.9
111.11675	0.7
113.09595	0.8
115.03905	0.6
117.06312	0.5
117.07013	6.4
119.08575	6.7
121.10133	21.5
122.10409	0.8
123.11694	3.9
125.09642	0.6
127.03870	1.6
131.08562	9.1
133.10117	9.0
135.08002	1.1
135.11685	10.7
137.09471	0.6
137.13203	1.2
139.07530	0.7
139.11153	1.0
145.04951	3.2
145.10101	3.6
147.11659	3.5
149.13251	23.9
159.11668	10.7
161.13280	2.7
162.23485	0.6
163.06003	2.3
163.14809	1.6
165.12669	0.8
168.27925	0.7
173.13252	2.2
175.14728	1.1
177.12717	4.8
177.16420	0.7
187.14784	1.0
195.13806	7.5
201.16310	0.8
213.14845	0.7
243.21100	2.5
259.20557	0.7
261.22116	9.2
267.15875	2.0
269.17453	100.0
270.17868	2.2
299.40387	0.6
317.24799	2.1
335.25772	50.2
336.26160	1.7
359.00961	0.5
363.91583	0.6
437.34216	1.8
455.35132	1.1
473.36533	0.8
511.37796	1.0
529.38861	99.6
530.39233	6.1
547.39838	2.3
888.50458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.6
69.26134	3.7
71.01350	1.9
71.04994	7.2
73.02914	15.5
73.03295	1.3
79.05515	0.9
81.03414	0.9
83.04978	3.9
85.02896	14.1
87.04484	0.9
89.03903	4.2
95.04978	0.9
97.02895	5.0
98.42226	0.7
107.04950	1.4
109.02919	1.8
111.03173	0.8
111.04478	1.6
115.03965	2.1
117.03376	4.8
127.03994	1.3
129.05502	1.2
129.72569	0.8
130.05058	0.7
135.04408	7.3
137.11771	0.7
139.23203	0.8
145.02814	8.4
145.03778	0.7
163.03888	52.9
164.04309	2.9
177.05507	2.3
181.04985	1.8
185.88423	1.0
199.08723	1.2
200.12898	1.8
208.07648	1.0
213.06685	2.8
213.10222	1.2
214.07434	2.5
223.08652	1.1
226.07324	11.6
226.09236	0.8
227.08107	15.7
227.10094	1.2
228.09055	3.5
229.06039	6.5
239.08238	2.7
240.08972	2.0
241.06163	1.9
241.09770	8.7
242.06853	1.4
242.10492	4.6
243.07657	1.8
251.08383	1.9
252.08994	1.2
253.06071	5.3
253.09830	3.4
254.06831	7.2
255.07619	33.1
256.08359	13.5
257.09207	2.8
259.10861	3.3
269.09186	35.8
270.09900	2.2
271.10736	13.4
272.10565	1.4
273.08594	7.6
274.11899	3.6
282.10095	0.9
287.10242	59.5
288.10809	5.3
298.09445	0.9
299.10297	1.6
315.09738	13.7
315.13065	1.2
316.10352	1.4
325.09314	1.4
329.11450	2.3
363.59317	0.9
431.14655	2.1
449.15787	2.7
449.24179	2.2
594.17102	0.9
611.18683	50.6
612.19202	3.6
757.24396	27.4
758.24927	2.1
861.88806	1.0
889.28625	100.0
890.28442	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	889.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02357	0.3
67.97319	0.2
69.03423	3.6
69.37671	0.5
69.38055	0.4
70.68417	0.1
71.01347	1.0
71.04636	0.2
71.04985	3.8
73.02910	10.0
75.04465	0.3
75.75082	0.2
79.05447	0.6
81.03407	0.9
83.04469	0.2
83.04973	3.4
85.02895	9.7
87.04436	0.7
89.03909	1.8
91.05492	0.2
94.43453	0.2
95.04946	0.4
97.02887	6.4
99.04417	0.6
101.02371	0.3
103.03915	0.3
107.04913	0.6
109.02840	0.6
109.95611	0.2
111.03136	0.4
111.03901	0.2
111.04433	1.8
113.02306	0.1
115.03920	2.3
117.03360	2.2
121.55022	0.2
127.03918	1.1
129.05481	1.8
133.04941	0.9
135.04404	5.3
139.03807	0.3
144.04353	0.3
145.02832	4.4
147.06544	1.0
163.03882	42.0
164.04205	0.7
169.07559	0.2
170.25626	0.2
171.06566	0.4
172.07629	0.2
181.04951	1.3
183.09424	0.2
186.47087	0.2
198.07857	0.3
199.08545	0.3
207.09494	0.2
211.08565	0.3
212.07098	0.2
213.06487	0.2
225.07437	0.5
226.07298	1.2
227.05785	0.7
227.08086	4.4
228.08812	0.4
229.06042	8.0
239.08157	0.4
241.05995	0.4
241.09688	0.5
242.06798	1.1
243.07504	1.1
253.06096	0.7
254.06821	7.7
255.07574	2.5
256.08356	1.5
257.09180	0.7
259.10736	0.5
260.09103	0.5
265.07278	0.2
267.07590	0.4
269.09189	7.4
270.09714	0.3
272.09167	0.4
287.10223	100.0
288.08209	0.7
288.11099	2.2
298.09521	0.3
299.10251	0.5
300.11035	0.3
301.11673	0.4
307.08173	0.6
311.10107	0.9
325.09109	6.1
325.12860	0.4
329.11255	4.7
353.11484	0.3
415.15128	0.2
419.14352	0.4
433.16071	0.8
449.15393	1.9
565.20483	0.7
585.96643	0.2
593.19873	0.2
611.18634	26.8
612.18689	1.1
653.19586	1.0
743.22919	0.6
757.24359	2.9
785.23401	0.5
889.28528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02363	0.2
67.05493	0.1
68.99796	0.1
69.03419	3.2
70.61546	0.1
71.01345	0.7
71.04985	3.9
73.02909	7.5
75.04436	0.3
79.05460	0.3
81.03413	1.1
83.04971	2.5
84.64539	0.1
85.02892	8.0
86.03214	0.1
87.04439	0.4
89.03378	0.1
89.03901	2.2
91.05437	0.1
95.04938	0.3
97.02880	5.5
99.04440	0.6
101.02346	0.3
103.03915	0.2
107.04952	0.8
109.02859	0.5
109.06509	0.1
111.04431	1.7
113.02303	0.1
113.05985	0.1
115.03913	1.7
117.03365	2.7
121.06434	0.1
123.04386	0.2
127.03910	0.6
129.05466	1.8
133.04948	0.8
135.04399	6.3
136.04784	0.1
139.03870	0.3
145.02826	5.5
146.03113	0.1
147.06508	0.7
151.03853	0.1
157.05061	0.1
160.07539	0.1
163.03877	44.7
164.04243	0.7
165.05434	0.1
169.05009	0.1
170.06018	0.4
171.06523	0.2
172.07565	0.5
177.05473	0.2
177.79010	0.1
181.04932	1.4
183.06566	0.1
184.07463	0.1
186.05428	0.4
199.06187	0.2
200.07021	1.3
201.07574	0.1
202.04997	0.9
210.05324	0.1
212.07077	0.2
214.04938	0.6
215.05756	0.3
225.07562	0.5
226.05144	0.1
227.05756	1.8
228.06499	5.8
229.07198	0.7
230.04442	2.1
231.04787	0.1
240.06401	0.1
241.07283	0.1
242.04385	0.2
242.05435	0.1
242.08093	1.6
243.05263	0.5
243.08684	0.3
244.05962	0.6
252.06636	0.1
254.04430	0.3
255.05226	2.8
256.06009	2.6
257.06790	2.1
258.07584	1.4
260.09146	7.5
261.09583	0.4
265.07068	0.1
270.07565	4.5
271.07962	0.2
272.09164	0.3
274.07327	0.1
288.08615	100.0
289.08954	2.9
307.08090	0.6
316.08102	0.1
325.09128	10.1
326.09497	0.3
330.09671	0.2
357.02371	0.1
417.75479	0.1
432.13004	0.1
434.14758	0.1
450.13937	1.9
471.15179	0.1
557.01434	0.1
612.17029	10.5
613.17438	0.7
664.60461	0.1
678.18896	0.1
758.22156	0.2
891.69733	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	890.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02326	0.2
65.53052	0.2
68.99792	0.2
69.03421	3.1
69.04518	0.3
69.35320	0.9
71.01336	0.8
71.04628	0.3
71.04990	4.3
73.02913	8.5
75.04468	0.4
79.05471	0.2
79.39200	0.2
81.03448	1.2
81.04532	14.5
82.05313	0.3
83.04975	3.0
85.02897	9.4
87.04437	0.3
89.03919	2.0
94.04082	0.4
95.04945	0.7
95.06075	0.6
97.02879	6.0
99.04444	0.5
101.02380	0.3
103.03944	0.2
103.05457	0.3
107.04915	0.3
109.02869	1.1
111.04434	1.9
115.03921	1.7
117.03363	4.4
119.18444	0.2
121.06497	0.4
123.04361	0.2
127.03903	1.5
129.05472	2.1
133.05019	0.9
133.06390	0.3
135.04410	2.8
137.05916	0.5
145.02831	14.6
145.07556	0.4
146.05998	0.4
147.06511	1.2
149.05956	1.4
158.07159	0.3
159.09242	0.3
162.05508	0.3
163.03891	18.2
165.05334	0.5
169.07574	1.0
171.07884	0.5
172.08678	1.7
174.05502	0.7
175.06247	0.9
176.07066	2.8
177.05453	27.5
178.05765	0.8
181.04947	1.2
184.08701	0.8
185.09395	0.6
186.10242	0.9
188.07022	0.6
194.08109	5.8
195.06532	1.0
196.08702	1.8
197.07225	0.3
197.09355	0.3
198.10188	0.4
199.07385	0.7
200.08191	1.9
206.06206	0.3
206.08110	5.2
211.07300	0.3
212.08264	2.0
213.08929	2.2
214.05869	0.4
214.07646	0.3
214.09717	4.7
224.05971	0.4
224.08147	3.6
225.09048	2.6
226.06088	9.5
226.09741	0.9
227.06540	0.3
227.10510	0.6
228.07704	1.2
228.11247	1.0
229.08270	3.6
232.10959	0.3
239.08023	0.3
240.07654	3.1
241.08438	16.7
242.09225	8.4
243.06273	0.2
243.10219	0.6
244.07204	0.5
244.10776	1.8
247.10815	0.4
256.10788	30.7
257.11096	1.0
258.08636	0.3
272.10190	0.5
273.10953	0.6
274.11826	100.0
275.12155	2.7
288.13467	1.6
290.11353	0.2
298.12021	0.3
315.62082	0.3
316.12814	0.9
321.09778	0.3
339.10712	8.5
402.16727	0.3
406.16010	1.0
411.09167	6.2
412.09546	0.5
420.17328	1.3
436.16965	0.8
545.13446	0.2
547.14105	0.3
552.22076	1.2
612.21796	20.1
613.22021	1.4
654.23047	0.3
744.25543	0.7
758.27173	1.7
784.01978	0.2
890.32043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05027	1.1
69.03414	0.7
69.77084	1.8
70.02947	1.8
70.06586	100.0
71.04985	0.7
71.06927	0.8
73.02921	1.3
81.04524	0.9
82.05339	0.9
82.06590	0.7
83.06095	3.4
85.02917	1.0
87.05581	9.3
91.05464	0.6
93.04532	2.2
95.06090	1.7
96.08134	3.7
96.58914	0.5
97.02891	1.0
98.06048	13.2
104.05306	2.3
105.86048	0.5
108.08085	0.8
110.07158	31.2
113.07149	0.6
115.03989	0.7
115.08694	1.7
116.07080	0.6
120.08086	10.2
120.08887	0.7
121.07674	0.7
122.06039	0.6
123.05537	0.6
124.07603	0.8
125.07102	5.7
125.07871	0.6
126.05506	8.7
126.06346	0.8
128.54929	0.5
135.04419	0.8
135.09158	0.7
136.08728	1.7
137.07159	0.6
138.06667	0.5
139.08667	2.2
141.10223	0.8
145.02840	1.2
148.08746	1.2
149.07060	0.8
149.85152	0.6
150.05531	0.6
151.08662	0.7
151.12352	1.6
153.06595	0.9
162.10252	17.4
163.03888	6.7
164.08234	0.6
165.10229	0.9
166.06163	1.8
167.08147	9.5
167.11784	4.3
169.09720	0.8
172.11253	2.6
175.09212	0.5
177.05426	0.8
177.10262	1.5
177.13890	0.9
178.11003	0.6
179.09352	0.5
179.11876	1.1
181.10869	2.0
184.10770	7.0
184.12167	0.6
190.09781	1.5
191.09311	0.7
192.07736	1.5
193.09691	0.4
193.12143	1.7
194.09328	0.4
194.12956	0.8
195.07632	7.8
195.11279	8.1
196.06136	1.1
203.11821	1.8
204.11389	1.5
204.14095	0.5
207.12439	0.7
209.10411	1.5
212.10281	25.6
217.10988	1.8
217.13326	16.2
218.12975	1.1
227.11794	0.8
230.08102	0.5
235.11856	6.8
245.12837	12.2
245.15218	0.7
251.12201	0.7
254.12784	2.4
258.07617	4.8
263.11560	0.8
264.13464	2.4
269.12689	0.7
279.11603	0.8
281.16077	3.6
286.13635	0.5
286.16714	1.4
289.08856	0.6
290.10504	0.8
291.14438	2.5
292.12943	1.8
296.14246	0.9
297.12274	2.6
300.13544	1.4
309.15543	15.4
309.19006	1.0
310.15897	0.7
314.16037	5.2
316.16605	0.7
325.09189	1.6
325.12057	1.5
335.17163	0.6
336.43420	0.5
341.16116	1.5
342.14368	3.1
359.17291	2.0
376.17032	2.9
389.18350	1.5
406.21075	2.2
411.20355	0.8
428.22888	1.5
439.19968	2.0
456.22592	1.0
508.25851	0.9
520.04425	0.6
525.27863	3.6
530.23846	0.5
553.27710	1.8
584.26196	2.5
608.32007	1.6
639.29712	0.6
675.33350	0.9
684.32043	2.7
701.34900	0.8
727.36725	1.1
735.76031	0.5
755.35443	3.4
768.14539	0.6
795.36859	1.2
864.41956	8.9
874.40002	2.7
875.38928	1.8
892.41260	77.2
893.41333	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	893.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94795	0.6
67.05505	3.6
69.03436	3.5
69.07066	0.9
71.01351	0.4
71.04987	0.7
71.39033	0.5
73.02917	3.7
79.05511	2.0
81.03407	2.0
81.07055	3.7
83.08597	0.5
85.02902	6.7
87.04487	0.5
87.26025	0.4
91.03960	4.4
91.05491	1.2
93.07043	3.0
95.05004	0.6
95.08611	2.7
97.02892	7.4
98.22708	1.1
99.04483	0.8
99.19695	0.3
101.02414	1.4
105.07032	0.5
107.08624	1.7
109.02894	1.1
109.10146	0.7
115.03970	0.6
117.07018	0.5
119.08529	0.5
121.10166	0.5
123.11723	0.5
127.03913	2.0
133.10214	0.7
135.11781	0.6
145.04996	0.5
149.13319	1.2
159.11707	0.5
185.04349	0.9
203.05402	0.6
235.13228	0.8
243.08531	1.5
259.08026	0.6
291.15701	0.6
347.09470	3.0
363.09000	0.6
365.04095	0.7
365.10739	0.8
405.13596	6.0
453.21014	4.9
519.29242	4.6
520.28906	0.5
615.25995	3.2
671.64490	0.5
681.34583	6.1
731.43451	1.6
893.48584	100.0
894.48889	8.2
896.74298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21449	0.3
65.03926	1.1
67.05502	31.0
69.07066	6.4
70.29629	0.9
71.04980	0.9
77.03912	0.9
79.05489	16.3
79.05952	0.9
80.62007	0.3
81.07050	27.8
83.04982	0.8
83.08624	2.8
85.06532	0.9
91.04936	0.7
91.05473	8.5
93.06445	0.8
93.07040	20.1
95.04965	2.4
95.08600	23.2
97.06513	1.1
97.10153	0.9
98.98547	0.3
105.04470	0.8
105.07023	5.7
107.08587	8.9
107.09257	0.8
109.06519	0.5
109.10152	8.3
111.07983	0.3
113.00011	29.8
117.07027	2.1
119.08578	4.3
121.10143	7.0
123.08115	0.4
123.11707	2.7
125.09615	0.5
131.08557	3.0
133.10141	3.3
135.11678	4.6
135.83565	0.4
137.13234	0.7
145.10101	2.5
147.11688	2.2
149.01149	0.4
149.13298	2.4
159.11688	1.6
161.13239	1.8
163.14841	1.5
169.02608	11.3
173.13257	1.6
177.16339	0.7
187.03654	3.5
187.14827	1.3
228.43707	0.4
243.21111	2.2
261.22101	6.0
317.24747	1.3
335.25778	100.0
336.26105	4.3
830.93604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.345
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05024	0.5
69.03428	5.6
69.18559	2.7
70.06541	0.9
71.01311	1.8
71.04990	5.8
73.02914	24.7
75.04438	0.7
79.05481	0.6
81.03374	1.5
83.04977	3.8
85.02903	14.9
85.07623	1.6
87.04437	1.1
89.03921	2.6
91.05438	0.5
95.04959	0.7
97.02891	8.9
98.22765	0.8
99.04405	1.6
103.03930	0.6
107.04931	1.3
109.02881	0.6
110.06005	0.6
111.04449	2.5
115.03934	3.0
117.03361	3.1
119.04924	0.5
127.03859	1.1
129.05409	1.7
133.04964	0.6
135.04408	6.5
145.02826	6.1
146.03030	0.5
146.08130	0.7
147.06502	0.9
148.07475	0.5
149.05934	0.7
156.71037	0.4
160.07585	0.4
163.03893	54.8
164.04187	1.3
166.08606	0.6
171.06685	0.5
175.06241	1.8
176.07100	0.9
177.05411	0.5
181.04903	1.9
188.07066	2.4
189.07813	3.0
200.07077	1.7
201.07784	1.2
201.10229	1.0
202.08572	1.5
203.09406	1.5
204.06552	1.5
204.10115	0.6
205.76651	0.4
206.08046	3.1
216.10193	13.1
218.07994	0.8
228.07715	0.8
231.10054	0.6
232.09576	0.6
233.12819	8.0
234.11237	77.1
235.11566	1.6
241.09709	0.8
242.09135	0.6
243.09995	0.9
250.12038	0.5
251.13890	13.5
252.14342	0.6
258.12369	7.0
259.10757	2.8
262.10745	1.6
274.11536	0.4
276.13412	32.1
277.11719	2.0
285.08841	0.5
293.11490	0.7
293.16080	5.8
295.12704	0.6
300.13336	1.2
301.11993	1.0
304.12900	0.5
307.08130	0.8
318.14520	3.6
325.09134	3.7
339.10101	0.4
360.15536	0.7
378.15472	1.1
402.16818	0.6
558.19904	1.5
575.21973	1.0
617.24347	5.6
692.42920	0.5
763.29919	1.2
895.34460	100.0
896.34857	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	895.508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.4
67.05501	39.1
68.05830	0.7
69.03422	0.4
69.07063	16.5
70.02006	0.5
70.02337	0.9
71.04987	0.7
71.08617	0.6
79.05487	17.1
81.07050	38.9
82.07371	0.9
83.04968	1.5
83.08614	8.3
85.06543	1.4
91.05476	10.3
93.07039	20.0
93.62880	0.5
94.07331	0.6
95.04961	2.0
95.08598	28.9
97.06533	1.9
97.10158	3.5
99.08109	1.0
105.04484	0.8
105.07018	8.4
107.08592	10.1
109.06461	0.7
109.10149	10.3
111.08093	0.7
111.11718	0.8
113.00008	100.0
113.09615	0.7
115.00465	0.5
117.06998	1.6
118.10825	0.4
119.08564	5.7
121.10137	8.4
123.11692	4.3
125.09597	0.8
128.12511	0.4
130.60191	0.4
131.01053	0.9
131.08543	3.2
133.10124	5.7
134.14876	0.4
135.11687	5.9
137.09599	0.9
137.13248	1.3
139.11107	0.5
143.08513	0.4
145.10146	2.1
147.11670	4.2
149.13242	3.5
151.14799	0.8
154.02623	0.7
155.01015	0.8
159.11687	1.6
161.13234	3.0
162.27496	0.4
163.14789	3.2
169.02599	67.9
170.02827	0.9
171.03119	0.4
173.13242	2.7
175.14824	2.1
177.16292	0.9
187.03659	7.0
187.05170	0.6
187.14815	1.7
233.22607	0.8
243.21080	5.3
245.22688	1.1
261.22131	12.8
262.22440	1.2
263.23639	2.7
275.23761	0.6
317.24792	2.2
335.25775	28.5
336.26270	1.7
337.27332	81.5
338.27686	2.8
384.34930	0.4
429.23706	1.2
431.25574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	3.9
71.01331	0.8
71.01676	0.4
71.04990	3.7
73.02910	9.3
79.05482	0.5
81.03398	0.8
81.04514	0.5
83.04978	3.0
85.02898	7.9
87.04457	0.6
89.03908	1.4
95.04957	0.4
97.02888	6.3
99.04457	0.4
101.02330	0.3
107.04947	0.6
109.02895	0.3
111.04433	1.8
113.05969	0.3
115.03944	1.5
117.03361	2.2
127.03899	0.8
129.05486	1.6
132.08054	0.5
133.04942	0.9
135.04402	4.4
139.55946	0.3
145.02841	4.6
146.06001	0.3
147.06534	0.5
148.07562	0.3
150.09123	1.2
157.04918	0.3
160.06343	0.4
160.07608	0.7
161.07079	0.6
163.03893	38.3
164.04221	0.9
173.07092	0.7
174.05531	0.3
175.08705	0.5
181.04889	1.1
185.07059	0.3
186.07874	5.6
187.08664	5.4
188.09360	0.4
189.10228	0.4
191.08118	0.4
199.08693	1.0
200.09569	0.4
203.08144	0.5
204.08897	1.5
205.09723	1.3
206.30495	0.3
213.06493	0.5
217.09706	6.0
218.10501	0.5
219.11172	0.3
222.29887	0.3
231.09863	3.3
235.10751	69.5
236.11166	1.4
241.08527	0.5
242.08916	0.3
244.10243	0.3
249.12445	4.4
256.10818	1.0
257.11090	0.6
258.12180	0.5
259.10742	2.2
272.22095	0.3
274.11844	2.2
275.12137	1.3
276.13437	2.9
277.11804	52.4
278.12061	1.1
294.14450	100.0
295.14822	2.7
307.08224	0.6
318.14377	0.4
325.09152	6.2
336.15445	0.5
420.11496	0.2
420.17438	1.2
426.18573	0.4
440.20282	2.0
456.19974	1.6
598.06573	0.3
600.21069	0.7
601.19379	0.3
618.22876	23.7
619.22778	1.0
708.48193	0.3
764.27881	0.9
896.31793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	0.9
70.06590	100.0
70.91642	0.6
71.06915	0.7
71.42062	0.7
72.44765	0.6
74.06073	2.3
75.02735	0.9
84.04508	2.1
91.05489	2.5
93.07061	1.3
96.08140	2.5
98.06059	1.1
100.07587	0.6
101.07140	2.9
103.05457	2.4
104.05316	10.7
105.07046	1.7
108.08083	3.4
115.08704	4.0
120.08099	78.0
121.08428	1.3
126.09145	0.8
127.08671	1.3
130.06686	3.9
132.08075	4.9
144.08067	0.7
146.09637	5.0
153.10220	49.7
155.08194	2.0
156.08356	0.7
158.09634	5.4
160.11287	1.1
167.84569	0.8
170.09631	1.1
172.11179	7.0
176.10696	6.9
177.10233	5.5
181.09738	1.0
186.09158	3.9
187.08792	0.7
191.11763	0.9
201.10555	30.7
203.11771	4.6
205.09718	10.2
206.09911	3.1
215.11896	1.6
217.13348	3.5
221.12839	14.1
221.14917	0.8
222.12833	1.8
227.12068	1.7
229.10043	18.7
229.13434	1.5
231.11272	7.0
243.11351	2.0
243.14868	3.1
244.10849	1.2
245.13002	3.1
246.12669	3.4
248.14011	1.3
249.12349	6.8
251.12099	3.0
257.12955	1.4
258.12747	0.7
259.14313	1.0
261.12445	0.9
269.12894	0.8
271.10727	0.8
271.14594	0.7
275.13889	0.8
276.13406	4.6
277.13962	0.8
279.11615	0.8
288.13437	1.8
293.16406	0.7
302.15073	1.3
303.15305	1.2
305.13214	0.8
306.14438	4.2
307.14474	0.9
314.15024	1.6
323.17615	1.8
328.16559	1.3
332.16013	0.8
348.17538	2.8
350.18747	0.9
358.15829	1.8
359.17090	2.8
362.15430	2.2
374.19083	0.8
376.16882	13.2
377.18112	2.9
378.18228	1.3
393.19427	1.4
395.20697	0.9
402.18863	0.9
405.19772	0.9
423.20380	1.1
449.22180	1.0
453.21503	1.1
459.20566	9.7
461.22330	1.4
477.21609	6.6
478.22888	1.2
479.22827	3.0
495.24219	0.9
496.25635	2.1
504.22791	2.3
506.23999	6.0
523.24115	1.2
524.25049	3.7
562.26630	1.8
564.49072	0.7
578.28040	1.0
579.26459	1.2
587.26526	1.0
596.29108	1.8
605.27991	1.6
606.27356	3.4
623.29401	0.9
624.28711	3.5
626.29468	1.4
651.29480	2.4
653.31018	2.4
663.29132	1.4
671.31781	1.1
681.31287	2.0
697.17499	0.7
707.33026	0.8
708.31592	1.0
724.34283	3.2
726.33264	1.2
734.33124	7.4
750.36127	0.7
752.34424	9.4
753.34375	1.1
853.39081	0.9
871.41876	4.5
872.42914	0.9
881.39288	5.5
899.40582	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	900.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85961	0.9
69.86327	1.0
70.06589	100.0
71.06892	0.5
72.08146	2.5
74.06075	8.7
82.06580	0.4
84.04494	1.3
84.08145	0.5
87.30020	0.4
94.72711	0.5
96.08131	7.7
98.06049	14.8
98.09685	0.4
98.20438	0.5
99.09206	0.9
101.07142	1.9
103.05489	0.9
109.07658	0.5
110.09747	0.5
112.03999	1.0
115.05447	0.7
115.08659	0.6
116.67687	0.4
120.08096	19.3
124.07578	0.7
124.11220	6.0
125.07136	0.8
126.05511	9.9
126.09156	4.3
127.08640	2.5
130.06516	12.4
130.07430	0.9
132.08067	3.9
133.96043	0.4
141.10254	1.6
142.06586	0.8
143.11769	0.9
144.08110	0.5
145.09756	2.2
146.09654	0.6
151.12370	0.7
153.06654	0.5
153.10265	2.0
155.08151	3.3
158.09601	1.0
159.09169	19.5
165.10286	1.2
167.11755	4.1
168.08116	0.5
169.07565	0.5
169.09772	1.3
170.06000	4.5
171.11281	11.0
173.09294	1.7
176.10712	1.7
177.10237	0.9
177.13943	0.6
178.11093	1.0
179.11824	0.7
181.09727	12.1
181.11255	0.8
181.96387	0.5
182.08340	0.8
183.09081	0.5
185.10806	0.5
186.09233	1.7
187.08696	0.7
194.09654	0.5
195.11302	6.9
197.12938	0.8
199.10756	9.4
201.08768	0.6
203.11852	1.3
209.10873	0.6
211.12318	7.1
212.14055	0.7
213.12080	0.5
221.12862	8.6
223.12315	1.8
224.13890	0.7
231.11276	5.2
234.12323	0.7
239.11827	2.7
249.12364	2.5
252.13428	3.7
256.14496	1.7
266.15213	0.5
268.16568	0.9
271.10693	0.5
274.15555	1.5
278.14938	4.9
284.13950	1.4
286.15546	0.7
294.18253	0.6
296.16064	9.4
302.15067	2.5
313.18790	1.2
314.15018	0.6
318.18137	1.3
320.16153	0.9
328.16568	3.0
331.17789	0.5
332.16107	2.3
335.17136	0.7
346.17783	1.9
371.20853	1.6
375.20499	0.8
384.19089	0.6
385.19031	0.7
387.16592	0.8
397.22336	0.9
399.20267	2.2
415.23334	3.8
419.22906	1.3
425.22000	2.0
429.21387	3.1
443.22906	6.4
447.22379	1.1
454.24512	1.1
458.23975	0.6
472.25293	0.7
482.24011	1.6
500.24713	0.7
516.28363	1.4
518.25604	0.7
526.26672	4.9
543.29742	1.4
544.27600	6.4
545.27484	0.6
569.30750	0.8
571.28674	0.9
577.31390	0.6
587.31451	3.6
597.30560	1.7
605.30884	1.1
615.31122	5.3
686.39093	2.2
696.37189	1.3
714.38031	14.2
715.38379	0.9
771.39343	0.6
783.37946	0.8
785.39905	0.5
801.39484	1.8
855.44183	0.9
856.46613	3.2
872.46515	9.7
882.44843	4.5
900.45917	18.7
901.46240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95852	0.8
67.05500	3.1
69.07053	2.1
71.08630	11.1
81.07043	4.7
83.08617	3.8
83.31710	0.7
85.06464	0.8
85.10177	7.6
95.08601	7.2
97.10185	1.6
98.38960	0.7
98.98459	4.0
99.11720	0.9
109.10145	3.4
111.11752	1.0
123.11709	1.3
137.13283	0.9
142.02646	0.7
154.99934	0.7
155.01024	4.3
173.02077	0.7
216.06335	2.7
221.05896	1.0
239.23662	1.1
271.52728	0.8
282.27902	8.7
313.27338	100.0
314.27734	4.1
376.53979	0.7
393.23996	10.4
426.45303	0.9
436.28220	27.0
453.25781	1.2
454.29297	31.5
455.29279	1.3
460.56750	0.8
465.69885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80800	0.2
69.03428	3.0
69.43163	0.8
71.01345	0.8
71.04991	3.5
73.02914	6.9
75.04480	0.4
79.05488	0.7
81.03410	0.7
83.04521	0.3
83.04980	2.8
84.04498	70.9
85.02898	7.9
85.04840	0.5
87.04466	0.3
89.03909	1.6
95.04959	0.5
97.02889	4.4
97.03491	0.3
99.04478	0.3
101.07133	6.2
102.05546	2.3
103.03914	0.3
107.04941	2.1
111.04432	1.6
113.02372	0.2
113.99224	0.1
115.03922	1.7
117.03387	1.8
121.05925	0.2
123.04409	0.3
126.05474	0.3
127.03895	0.7
129.05484	1.4
129.06389	0.3
130.04993	93.6
131.05345	1.0
133.04959	0.6
135.04408	7.1
137.05943	0.3
139.03886	0.2
145.02835	4.4
145.03940	0.3
147.07631	100.0
148.06024	0.3
148.08038	0.8
151.03922	0.2
153.05469	2.5
161.05800	0.2
163.03889	49.2
164.04172	0.8
167.71886	0.2
172.06000	0.3
173.05928	0.2
181.04883	1.2
189.08638	0.2
225.07576	0.5
225.91309	0.2
243.08702	0.2
282.09671	0.4
293.13318	0.5
295.07730	0.2
299.12320	1.6
325.09143	8.6
326.09430	0.4
425.17676	1.0
432.75592	0.2
459.12732	0.3
477.14145	0.2
503.23065	0.2
539.52185	0.2
545.58478	0.2
623.20526	1.5
768.86359	0.2
871.35242	0.2
901.29901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	2.5
70.27345	0.4
71.01347	0.8
71.04984	3.1
73.02908	6.5
75.04452	0.2
79.05483	0.6
81.03416	0.5
81.07098	0.1
83.04974	3.0
84.04493	63.5
85.02891	7.8
85.04815	0.4
87.04453	0.3
89.03900	1.4
91.05509	0.2
95.04961	0.6
97.02874	3.9
98.06039	0.2
98.23441	0.2
98.30104	0.2
99.04446	0.5
101.07130	5.3
102.05535	1.9
102.39380	0.1
103.03928	0.2
105.30260	0.2
107.04953	1.6
111.04430	1.9
112.03931	0.2
113.02364	0.2
115.03928	1.6
117.03370	1.9
123.04445	0.3
126.05486	0.3
127.03902	0.5
129.05473	1.4
130.04987	84.1
131.05330	1.0
133.04941	0.7
135.04401	6.5
137.05949	0.6
139.03923	0.3
145.02835	3.7
147.07623	100.0
148.06044	0.3
148.07979	0.6
153.05431	1.7
163.03882	48.1
164.04189	0.8
165.05498	0.3
172.06000	0.2
180.52049	0.2
181.04915	1.4
189.08658	0.2
225.07533	0.5
243.08841	0.2
293.13400	0.7
295.08090	0.3
299.12320	2.3
307.08145	0.3
325.09140	10.9
326.09503	0.2
425.17673	1.0
459.12808	0.2
471.15060	0.2
475.98016	0.2
623.20697	3.1
735.80334	0.2
881.13391	0.2
901.29968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.2
67.05487	0.3
69.03421	3.7
69.16102	0.2
69.16512	0.8
71.01343	1.0
71.04984	4.3
73.02907	9.6
75.04467	0.4
77.03927	0.4
79.05466	0.7
81.03389	0.6
83.04972	3.9
85.02894	10.5
87.04439	0.4
89.03900	1.8
91.05463	0.8
95.04922	0.7
95.91690	0.2
97.02879	7.1
98.29692	0.2
99.04453	0.5
101.02356	0.2
103.03898	0.5
103.05451	0.3
104.04977	0.4
104.84116	0.2
105.04482	0.2
107.04936	14.8
107.41204	0.2
109.02868	0.3
110.09583	0.2
111.04423	2.3
113.06001	0.2
115.03915	2.6
117.03361	2.4
117.05720	0.7
118.06489	0.2
118.50322	0.2
119.04939	0.9
120.04460	0.4
121.02820	0.2
121.06496	0.9
127.03914	0.8
129.05467	2.3
131.04933	0.4
132.04428	4.2
133.05190	5.7
135.04398	5.5
137.05957	0.3
139.03876	0.6
145.02832	4.9
146.05965	1.0
147.06496	1.4
148.07565	1.0
149.05962	0.5
151.07462	0.2
153.05455	0.2
158.06038	0.2
159.06770	0.2
160.07404	0.2
161.04709	1.9
163.03879	53.6
164.04221	0.9
165.05351	0.2
171.06482	0.2
174.05476	0.6
175.06259	0.9
176.07045	14.6
177.05525	0.3
177.07224	0.2
178.05928	0.2
178.08582	0.2
179.07121	0.2
181.04951	1.7
183.06732	0.2
184.07497	0.2
188.07048	0.6
196.07571	0.5
198.09195	0.3
204.08038	0.2
206.08098	3.4
207.06462	0.2
208.07571	0.2
209.08345	0.4
210.09109	0.6
211.09731	0.2
212.07094	0.2
212.10539	0.2
218.32088	0.2
220.07550	0.4
221.08284	0.2
222.09099	2.0
223.09801	0.4
224.07043	0.4
224.10696	0.6
225.07689	1.4
226.08530	0.5
233.08519	0.2
236.06912	0.3
236.10675	0.2
238.08604	0.9
239.09332	1.1
240.06555	0.3
240.10144	1.5
243.08705	0.4
249.07831	0.4
250.08572	1.7
251.09416	1.3
252.06456	1.1
252.10275	0.5
253.11029	0.2
254.08095	0.6
254.11697	1.7
255.08810	0.7
261.09741	0.2
264.10184	0.6
265.06839	0.2
265.10934	0.2
266.08017	1.2
267.08865	8.9
268.09515	1.0
269.10425	0.2
270.11200	0.2
280.09543	0.2
281.10483	0.2
282.11209	42.3
283.11444	1.2
298.10709	0.5
299.11469	0.5
300.12256	100.0
301.12579	3.2
307.08115	0.9
309.09692	0.3
312.12018	0.2
325.09137	14.9
326.09476	0.2
341.12631	0.2
342.13275	0.3
432.16446	0.5
440.22357	0.2
446.18066	1.1
462.17593	1.6
494.50418	0.2
518.86444	0.2
572.37311	0.2
580.91724	0.2
606.19043	0.4
623.19543	0.3
624.20660	8.4
625.21069	0.5
770.25494	0.3
821.78601	0.2
902.30389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.8
69.07053	0.4
70.06564	0.8
71.01348	1.1
71.04991	5.9
71.43276	0.3
73.02913	9.6
75.04471	0.8
79.05472	0.6
81.03411	1.2
81.07024	0.4
83.04977	4.1
85.02899	11.3
87.04458	0.9
89.03896	2.4
91.05465	0.5
95.04961	0.4
97.02888	7.4
97.06504	0.5
97.57767	0.2
99.04438	0.7
103.03924	0.3
105.07003	0.5
107.04955	0.9
109.02863	0.8
111.04440	3.4
115.03902	3.1
117.03371	3.1
117.06970	0.3
119.04924	0.5
123.04404	0.6
127.03905	0.9
128.06261	0.5
129.05455	2.9
129.07011	0.5
131.04926	0.5
131.08563	0.4
133.04948	1.7
133.06470	0.5
133.10056	0.4
135.04411	7.2
137.05975	4.0
139.03888	0.5
141.06989	0.8
143.08528	1.2
145.02838	8.7
145.03947	0.6
145.06505	0.4
145.10098	0.3
146.03172	0.3
147.04338	0.5
147.06470	1.6
149.06001	1.6
151.03883	0.5
153.05536	0.4
154.07730	0.6
159.08020	0.3
159.11667	0.4
160.05148	0.6
161.05940	2.4
163.03889	100.0
164.04222	2.0
165.05473	4.1
168.05688	0.4
169.06523	0.8
169.10123	2.7
171.06593	0.4
171.08047	1.2
171.11708	0.4
173.05911	0.7
174.06680	0.4
175.07539	1.3
177.05420	2.0
179.08499	0.5
181.04944	2.7
185.09604	0.9
186.06720	0.8
187.07520	0.9
187.11153	0.7
189.09094	5.7
191.06987	0.9
193.08597	0.6
197.09601	1.7
199.11255	0.4
203.10611	0.5
205.12207	0.8
207.10147	28.2
208.10464	0.4
215.10654	12.7
216.10927	0.5
217.12234	6.4
221.11597	0.3
225.07547	1.0
233.11710	25.0
234.12077	0.6
235.13257	6.1
243.08542	0.7
251.12723	2.1
257.11713	0.3
265.14331	8.9
277.14420	0.4
279.10587	0.3
283.15311	0.8
295.08038	0.7
307.08011	1.0
309.09695	0.8
325.09155	22.9
326.09525	0.7
379.17441	0.7
388.99219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85281	0.4
65.03905	1.4
67.05503	32.2
69.03396	1.8
69.07069	8.7
69.71145	1.1
69.71535	1.3
70.66463	0.5
71.04951	1.8
71.05312	0.5
73.02872	2.1
77.03893	1.0
79.05489	31.1
81.03363	1.8
81.07056	34.8
83.04969	3.0
83.08618	6.8
85.02899	2.9
85.06526	1.0
89.59236	0.4
91.03915	1.7
91.05475	14.0
91.48359	0.5
93.07041	42.9
95.04975	7.7
95.08603	42.7
96.08900	0.6
97.02891	4.8
97.06529	3.3
97.10188	1.0
98.23386	0.6
99.04461	3.3
103.05465	0.5
105.04482	1.7
105.07025	10.0
107.04948	5.1
107.08591	28.4
109.06467	2.0
109.09443	0.6
109.10146	9.6
111.04429	0.7
113.06004	0.6
117.07030	8.3
119.08584	11.3
121.06499	3.8
121.09296	0.9
121.10141	17.8
122.45192	0.5
123.08031	0.8
123.11716	2.5
125.05933	1.9
129.06917	0.5
130.07750	1.5
131.07834	0.5
131.08560	5.1
133.10127	5.7
135.08002	1.6
135.11690	39.4
136.66524	0.5
137.13190	0.7
139.07550	1.2
143.08546	0.7
145.04930	0.6
145.10118	23.9
147.11719	2.4
149.13228	2.5
153.12704	0.8
159.11671	2.1
161.13213	1.9
163.11176	43.2
163.14783	1.5
164.11482	0.7
173.09523	0.8
173.13231	1.8
181.12212	6.3
187.14789	1.0
209.11790	1.0
219.53404	0.5
227.12764	49.3
228.13144	1.7
243.21069	1.5
261.22153	6.9
283.15387	56.4
284.15649	2.3
317.24725	1.9
335.25787	100.0
336.26141	4.4
543.36804	97.8
544.37067	5.4
705.41852	0.6
915.30829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05501	34.3
67.74184	0.8
68.05829	0.8
69.03429	1.7
69.07065	9.6
69.59053	3.4
71.04996	2.9
73.02901	2.3
77.03916	1.0
79.05491	32.1
81.03416	2.4
81.07050	35.8
83.05003	2.3
83.08614	7.5
85.02909	3.6
85.06535	1.4
91.03951	1.9
91.05469	14.4
93.07041	46.6
95.04966	8.0
95.08602	50.6
97.02907	5.4
97.06522	4.1
97.10165	1.2
99.04448	3.5
99.08114	1.0
105.04516	1.4
105.07027	9.2
107.04950	6.1
107.08591	31.2
109.06549	1.6
109.10159	10.1
111.04456	1.7
111.08063	1.3
112.13161	0.8
117.07016	8.5
118.80433	0.7
119.08582	14.8
121.06519	5.5
121.10140	19.9
123.08126	0.9
123.11710	2.2
125.05973	1.9
125.09650	0.9
125.80897	0.8
126.19913	0.8
127.03847	0.8
130.07809	1.6
131.08557	4.4
133.10143	6.0
135.08134	2.0
135.11684	47.6
137.13255	1.1
139.07567	1.7
143.08563	0.9
145.04961	1.2
145.10117	27.5
145.11229	1.7
147.11696	2.6
149.13242	3.8
153.12694	1.2
159.11681	2.4
161.13196	0.8
163.11172	63.0
173.09660	1.2
173.13266	1.9
175.14915	0.8
181.12225	9.5
190.63695	0.8
191.46315	0.8
206.48981	0.9
209.11684	1.6
227.12767	73.4
228.13087	1.6
238.67690	0.8
243.21074	2.3
261.22131	8.6
283.15384	100.0
284.15747	3.3
317.24741	3.0
335.25790	91.2
336.26163	4.9
383.95093	0.8
427.19571	1.1
543.36792	97.5
544.37128	4.1
561.38049	1.2
681.60657	1.0
749.09296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.6069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	4.7
70.06588	100.0
72.08156	12.4
80.26711	0.9
86.09701	81.8
96.08121	3.0
98.06043	24.1
98.09662	1.1
124.11221	3.5
126.05511	18.9
135.59154	0.8
138.12769	2.6
141.10281	1.6
143.11786	4.4
147.81718	0.9
167.11781	9.3
168.87155	0.8
169.09721	3.3
171.11252	6.6
183.14922	42.3
185.16501	5.7
195.11281	16.8
197.12828	1.4
198.74995	0.9
211.14397	25.2
212.14319	1.0
213.04982	0.8
213.15987	5.4
225.15947	1.2
268.16592	2.1
270.18167	3.3
280.20236	2.7
282.18182	0.9
284.19724	3.2
308.19656	29.7
310.21170	8.7
325.22534	1.1
351.23758	1.2
379.23285	0.9
379.27103	8.3
381.24762	6.1
383.26514	6.0
407.26501	35.0
408.26700	1.5
450.30734	6.0
478.30185	22.7
480.31958	2.4
482.33267	5.6
496.34842	5.4
540.10120	1.0
549.37598	3.7
577.37012	20.4
578.37201	1.8
593.40497	0.9
595.41687	4.3
619.41382	1.1
662.45331	1.7
676.43652	1.6
690.33783	1.8
690.45380	24.9
691.45642	1.5
695.57172	1.1
789.52197	41.8
790.52094	3.2
803.53247	5.0
874.60352	2.6
902.60742	20.0
903.59735	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	903.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84608	0.7
69.03432	12.8
70.06598	0.9
71.01363	3.9
71.01675	0.6
71.04991	14.6
73.02917	49.3
75.04475	1.6
79.05487	2.1
81.03413	2.4
83.04521	1.4
83.04980	14.0
85.02903	40.7
87.04472	2.5
89.03896	5.4
95.04976	5.5
97.02892	18.5
99.04447	1.6
101.02396	0.9
101.05985	0.7
102.66428	0.8
103.03928	1.0
105.04546	1.0
106.06554	5.7
107.04947	22.7
109.02847	1.5
109.07638	2.9
111.04443	6.9
115.03936	10.8
117.03372	5.4
121.02826	0.9
121.07623	1.8
122.06014	8.9
123.04430	3.3
124.06320	1.2
127.03912	2.8
129.05479	8.8
131.03398	1.5
131.05988	0.9
132.04468	4.4
133.04944	5.7
133.07585	5.2
134.06007	4.7
135.04428	12.7
135.06833	1.6
136.07564	1.0
137.07094	8.2
139.03874	1.5
139.08653	4.4
144.05467	0.8
145.02841	13.4
146.06003	1.5
147.05505	1.1
147.06526	4.3
148.06297	2.6
149.07121	6.8
150.07933	1.0
151.08659	7.1
152.07045	1.5
153.07851	1.5
157.04990	1.2
159.06700	0.7
161.07098	25.9
163.03899	100.0
164.04248	1.7
165.06674	1.3
166.07410	1.0
167.08156	4.2
168.08922	1.1
171.06561	1.0
177.05284	1.3
177.06747	4.6
179.08156	33.3
180.08392	0.9
181.04932	4.3
189.06612	2.1
191.08192	1.4
195.07727	2.2
196.08398	1.4
200.10764	1.0
207.07640	30.2
210.09149	2.0
221.09109	1.1
222.09106	0.7
225.07605	2.0
226.07431	1.1
227.08141	1.6
227.11711	4.7
228.08885	1.4
237.10216	2.0
238.08559	2.6
240.08992	2.7
241.09659	1.0
251.08084	1.6
253.09674	1.7
254.10411	1.1
255.11275	35.8
265.09827	1.4
267.11325	5.5
269.40121	0.8
271.10767	1.9
272.11478	0.9
273.12332	60.3
274.12518	2.4
283.10760	17.7
284.11353	1.3
285.12320	18.2
286.12610	1.0
301.11807	76.7
302.12143	2.6
307.08032	1.6
307.90121	0.9
313.11880	1.8
315.13348	0.9
325.09146	30.3
326.09396	0.9
343.12869	2.7
381.14417	1.3
393.14447	0.9
399.24542	0.8
409.13895	1.9
411.15390	1.1
415.15210	0.8
427.14850	2.8
429.16394	1.7
431.18164	1.1
433.15848	1.5
447.17691	5.5
463.16769	0.9
503.16696	1.4
561.20526	1.8
579.21393	2.4
597.20447	1.9
607.18585	1.2
608.19482	0.8
609.20520	2.4
625.20282	9.2
626.21161	1.4
771.25378	1.5
903.30286	9.6
904.15057	0.9
904.31201	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	904.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.8
71.01344	1.3
71.04990	4.2
73.02912	9.5
75.04494	0.6
81.03403	1.3
83.04977	3.1
85.02904	9.4
87.04460	0.8
87.98917	0.4
88.02216	2.4
89.03908	2.0
91.05467	0.5
97.02890	6.3
99.04431	0.6
103.03919	0.6
107.04950	1.3
111.04437	2.6
115.03930	1.8
116.05306	5.2
117.03369	5.1
127.03896	0.9
129.05455	2.4
133.05116	0.8
135.04419	2.4
145.02837	19.1
145.07683	0.5
147.06493	1.0
149.05981	1.7
163.03889	16.1
164.04199	0.8
165.09390	0.4
176.07088	0.5
177.05461	39.3
178.05788	1.0
178.83168	0.5
180.96745	0.5
181.04964	0.5
186.05577	0.8
193.24667	0.4
195.06519	0.9
196.21561	0.4
200.07141	0.6
202.04956	0.7
214.08307	0.5
215.05804	0.5
225.07407	0.6
227.05775	1.0
228.06528	5.0
229.30016	0.6
230.04434	1.9
242.08154	0.9
243.05278	0.4
255.05328	2.1
256.06168	2.2
257.06836	2.5
258.07648	1.2
260.09189	6.3
269.06757	1.0
270.07635	5.4
272.05795	0.5
282.11276	1.8
283.11530	1.4
284.09149	1.1
288.08643	100.0
289.08920	2.6
300.12238	3.8
301.12634	3.2
302.10242	25.9
303.10269	0.7
307.60873	0.4
325.09070	2.7
327.09628	0.5
339.10748	11.2
442.97870	0.4
482.59555	0.4
626.18536	9.1
627.19781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.307
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61528	0.5
65.03929	5.2
67.05503	1.3
69.03420	1.7
70.06598	0.7
71.04977	0.7
73.02892	0.7
81.03402	0.7
83.04960	1.4
85.02884	2.8
87.00818	0.6
89.03939	0.6
90.08507	0.5
91.05469	15.3
93.03394	5.6
95.04957	1.3
97.02882	65.8
98.03207	0.7
103.05476	0.5
104.14089	0.5
109.02884	1.2
111.04432	1.6
115.05451	0.7
119.04929	28.2
121.02802	2.4
121.06505	1.2
123.04440	1.3
125.02339	1.6
127.03864	1.1
129.06984	0.6
131.04950	0.7
131.08522	1.4
132.02086	1.0
133.02826	0.8
133.06529	0.4
135.04393	0.7
136.05193	0.6
139.03886	1.1
140.04698	2.2
141.07004	2.1
144.05676	1.8
145.02852	1.2
145.06461	0.5
147.04387	25.9
149.02322	8.3
153.05452	0.6
154.06264	1.8
155.07112	2.3
157.03975	3.0
159.08073	2.6
161.05978	0.6
163.03893	9.4
167.03377	43.9
169.06404	2.4
175.03883	47.8
176.04282	1.1
177.05438	1.2
179.06975	2.0
181.05022	2.5
181.06369	0.5
187.07497	5.3
192.04019	0.5
197.05960	2.0
199.07471	1.1
204.07861	0.5
205.08630	0.6
207.06499	100.0
208.06880	1.7
213.05577	0.6
215.07001	2.1
216.29311	0.6
217.08582	0.6
218.09312	0.9
219.06598	3.5
219.10165	3.7
229.08614	5.4
243.06442	0.8
245.08076	0.5
247.09648	4.6
257.08044	4.0
275.09100	14.6
276.09467	0.6
303.08459	4.3
321.09650	30.1
322.09872	0.8
325.08997	1.5
339.10681	8.5
369.11676	1.0
455.11581	0.5
499.17215	0.5
587.16016	4.9
638.38757	0.5
781.55090	0.5
791.08667	0.5
842.84985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.5
67.05504	45.8
67.25721	0.8
69.03419	5.1
69.07070	12.1
70.01006	1.6
70.01361	1.1
71.01363	1.0
71.04975	3.3
73.02911	4.4
77.03925	0.8
77.05161	0.6
79.05491	35.3
81.03413	49.2
81.07053	47.5
81.07421	1.1
83.04984	12.0
83.08123	1.2
83.08616	20.7
85.02901	30.0
85.06536	1.8
90.42817	0.7
91.03951	8.4
91.05476	32.6
93.07041	34.1
95.04964	22.7
95.08604	28.0
97.02886	10.2
97.06532	3.1
97.10152	3.7
99.04472	1.0
99.08094	1.7
102.01743	0.8
103.82632	0.7
105.04533	2.4
105.07027	22.9
105.07738	1.2
107.04955	5.9
107.07877	0.6
107.08586	16.5
109.06517	4.3
109.10153	11.0
111.04462	1.6
111.08087	9.2
113.06017	2.3
115.05485	1.1
117.07027	4.9
119.08581	21.3
121.06523	1.5
121.10137	17.2
123.08085	3.4
123.11688	4.9
125.09641	1.6
126.69819	0.6
127.03955	3.3
129.07001	8.7
131.08560	14.5
133.06497	2.1
133.10118	15.6
135.11697	6.4
137.09631	1.8
137.13231	1.2
142.07773	2.4
143.08492	0.9
145.04967	3.0
145.10123	6.8
147.08066	2.6
147.11674	13.4
149.09598	4.5
149.13231	4.9
155.08565	0.8
157.10118	9.9
159.11713	3.0
161.13223	2.8
163.06000	4.2
163.11198	0.8
163.14813	1.8
165.12793	3.1
166.33066	0.6
171.11652	1.0
173.13249	2.3
175.11172	11.1
175.14844	1.3
187.14790	1.6
193.12231	34.2
194.12604	0.8
209.13351	0.8
211.13272	55.8
227.12808	1.1
243.21173	3.2
258.97086	0.8
259.20773	1.0
261.22122	10.5
267.15894	15.5
269.10324	0.7
269.17441	1.0
283.15359	1.0
285.16949	68.1
286.17380	1.2
299.23685	0.9
317.24811	2.5
319.77658	0.7
335.25784	66.5
336.26218	2.3
359.26099	0.8
435.32642	2.2
453.33649	2.5
527.37274	15.1
545.38348	100.0
546.38562	5.0
620.46674	0.8
654.33826	0.8
701.41357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.6
67.05502	35.3
67.05856	1.3
69.03419	4.0
69.07065	8.3
69.79842	0.9
69.80231	1.0
71.04988	3.7
73.02920	2.4
77.03901	1.2
79.05489	28.5
81.03413	31.1
81.07053	38.2
83.04975	8.9
83.08615	13.4
85.02899	20.7
85.03663	0.7
85.06531	2.2
91.03954	5.5
91.05476	25.2
93.07041	28.6
95.04968	16.9
95.08603	24.9
97.02886	7.1
97.06516	3.0
97.10167	3.2
99.08060	1.0
103.05417	0.5
105.04462	1.6
105.07023	17.8
107.04952	3.4
107.08588	13.8
109.02853	0.7
109.06516	3.8
109.10155	10.1
111.04372	0.8
111.07459	0.4
111.08080	5.6
113.05956	1.4
117.07007	3.8
119.04914	0.5
119.08573	14.7
121.06492	1.0
121.10139	14.4
123.08070	2.1
123.11704	4.0
125.09549	1.3
125.13816	0.5
127.03857	2.0
127.07510	0.4
129.07013	6.9
131.08566	11.2
133.06453	1.5
133.09189	0.9
133.10117	11.6
135.11685	7.1
137.09558	1.3
137.13176	1.0
140.25684	0.4
142.07796	1.2
145.04932	2.5
145.10103	5.4
147.08014	1.3
147.10585	0.9
147.11671	10.7
149.09590	4.1
149.13275	3.3
151.11189	0.6
153.12625	0.5
155.08481	0.5
157.09038	0.6
157.10130	7.8
159.11702	3.3
161.13214	1.9
163.06088	2.5
163.11102	0.8
163.14816	1.3
165.12708	2.0
171.11652	1.2
173.13235	3.0
175.11183	7.6
175.14743	0.8
177.12711	0.8
180.79492	0.5
185.04008	0.5
187.14821	1.3
189.11188	0.7
193.12234	23.3
194.12579	0.7
197.13234	0.6
201.16368	0.6
211.13277	33.3
212.13618	0.9
215.08492	0.5
227.12703	0.7
229.14261	0.7
233.04570	0.5
233.22646	0.6
243.21100	2.5
249.14925	0.7
261.22095	8.6
267.15878	10.4
277.21457	0.5
285.16949	42.0
286.17221	0.5
299.23660	0.7
301.25201	0.7
317.24692	1.7
330.02728	0.5
333.24545	0.5
334.53488	0.4
335.25787	64.4
336.26138	1.7
435.32654	1.6
453.33746	1.3
453.45645	0.5
471.34930	0.6
509.36530	0.5
527.37366	13.0
536.86462	0.5
545.38361	100.0
546.38782	4.7
563.39581	1.0
689.42242	0.5
772.49048	0.5
904.46680	0.6
905.45959	0.5
932.67096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.7
67.05501	58.3
69.03418	3.4
69.06718	0.9
69.07069	12.9
71.04995	6.1
73.02902	3.1
73.06575	1.3
77.03902	1.0
79.05489	33.8
81.03414	4.3
81.07051	82.7
83.04977	4.0
83.08623	9.1
85.02899	10.3
85.06536	6.7
91.03958	6.3
91.05471	21.3
93.07040	38.1
95.04958	6.1
95.08019	2.0
95.08601	30.9
97.02862	5.4
97.06535	6.6
97.10178	2.2
99.08076	1.8
105.04500	1.9
105.07011	14.7
107.04873	0.9
107.08583	23.9
109.06516	3.0
109.10154	10.3
111.08083	4.2
117.07011	6.5
119.08560	7.7
121.06528	1.1
121.10150	14.8
123.11706	10.1
127.03919	2.6
129.05484	1.1
131.08556	10.4
133.10115	14.3
133.11047	1.7
135.11691	11.9
139.11171	1.3
145.04993	2.3
145.10092	3.1
146.89291	1.0
147.11642	4.9
149.13252	13.9
151.11183	3.1
159.11682	10.5
161.13281	2.2
163.06052	2.6
169.12289	1.1
173.13235	3.3
175.14816	1.6
177.12749	3.8
179.72054	1.0
184.07361	1.4
187.13275	4.0
187.14758	1.3
195.13785	4.2
241.14349	1.9
243.15894	22.8
243.21127	3.3
261.22073	6.6
269.17462	28.4
285.17029	1.5
287.18530	19.0
317.24802	1.1
318.33807	1.1
335.25787	45.8
336.26141	2.2
342.69089	1.2
503.37296	100.0
504.37698	5.0
513.90540	1.5
521.37885	2.3
529.39026	10.2
545.38037	1.5
546.38934	1.4
547.39844	42.6
548.40405	2.6
691.44348	4.7
810.86444	1.3
887.99469	1.1
906.44568	8.6
907.45978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.437
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	1.1
70.06589	100.0
74.06076	1.6
75.02702	1.0
84.04475	0.6
84.53480	0.5
86.09709	3.1
91.05473	2.4
98.06052	20.7
98.23507	1.5
101.07114	0.6
104.05325	18.4
106.19149	0.5
107.04958	1.1
108.08080	2.9
115.08688	1.9
116.05315	3.8
119.04947	1.5
120.08102	11.2
121.06548	0.6
126.05507	14.0
126.09135	2.7
127.08659	3.6
128.00819	0.5
132.08105	1.5
136.07564	17.3
138.12770	21.2
146.06105	0.6
146.09576	0.5
148.07594	1.1
151.12338	1.3
153.10216	32.0
155.08144	4.3
158.09666	1.0
160.07654	0.6
165.10205	0.9
167.11769	5.0
170.09709	0.7
172.11238	3.8
174.09140	1.1
176.10721	0.8
177.10283	1.5
181.09740	1.1
183.09593	0.6
185.11070	2.6
185.74149	0.5
186.09274	0.9
192.10249	2.4
193.09734	0.8
195.11282	7.8
201.10548	17.2
201.12386	0.9
202.08711	1.1
203.11819	1.1
205.09756	0.9
212.13895	3.4
213.10646	2.0
215.12044	0.6
215.22150	0.6
217.13284	0.5
219.18628	0.8
221.12856	5.9
222.09476	1.3
229.10028	11.3
229.13428	1.3
230.08240	0.9
231.11340	1.4
232.14471	0.8
233.12999	1.0
237.12483	0.7
238.12155	0.7
241.10062	1.3
245.12813	0.5
247.10925	1.8
249.12431	2.3
253.17224	0.6
261.12338	0.6
265.11865	0.8
267.11636	3.1
278.15002	0.6
280.14923	1.6
285.12457	0.9
288.13538	1.0
295.11221	0.6
298.15790	0.8
302.15100	1.2
306.14594	1.8
308.14276	3.6
326.15295	10.9
326.18784	0.8
343.17801	3.2
361.34509	0.6
364.16974	1.2
378.14978	0.8
392.16467	2.0
449.17990	0.6
461.22119	4.6
462.22156	0.6
489.21628	11.4
506.24298	0.6
546.23608	0.6
562.26923	1.1
572.25269	2.2
590.26227	4.2
709.33533	0.7
719.31885	1.1
737.33655	1.5
744.36719	0.8
760.37238	0.8
776.33899	1.8
792.37500	0.7
794.35376	5.8
795.37256	0.9
861.41376	0.8
879.44183	22.4
880.45563	0.8
889.42975	4.3
907.43707	25.7
908.44037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	3.6
68.05855	0.4
69.03424	4.5
69.07074	0.8
70.91878	0.3
71.01368	0.8
71.05007	0.7
73.02914	4.2
79.05485	3.0
80.96728	0.3
81.03000	0.3
81.03394	1.7
81.07054	4.3
81.07488	0.3
83.04987	0.4
83.08632	0.5
85.02902	6.7
87.04497	0.4
91.03952	2.7
91.05473	2.1
91.30320	0.3
93.07041	3.8
95.04989	0.9
95.08608	3.4
95.46622	0.3
97.02888	6.8
99.04469	1.2
101.02386	1.7
105.07074	0.7
107.08593	2.2
109.02927	0.8
109.10174	0.9
112.74413	0.4
113.42861	0.3
115.03976	0.6
117.07041	0.8
119.08619	0.9
119.83133	0.4
121.10172	1.3
123.11716	0.4
127.03917	2.0
131.08577	0.5
133.10191	0.4
135.11743	1.5
145.04980	0.4
145.10168	1.1
159.59581	0.3
163.11243	1.5
185.04305	0.9
201.03561	0.3
202.88872	0.3
203.05293	0.9
227.12689	1.6
243.08377	2.0
243.15868	0.6
249.11006	7.5
281.19135	0.4
305.13672	1.2
335.25873	1.2
336.26111	0.4
347.09299	2.1
363.08987	0.5
365.10754	1.0
405.13614	6.1
405.18588	0.4
466.68393	0.3
467.18912	5.9
503.37433	0.7
504.37613	0.6
519.29285	7.0
529.39038	0.6
530.39618	0.6
583.36462	0.6
629.24060	3.4
681.34589	7.5
682.35840	0.6
741.53967	0.4
745.41150	1.8
907.46533	100.0
908.46747	8.9
937.58777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.1
69.03422	2.4
69.07077	1.0
71.01363	0.3
71.05011	0.5
73.02910	2.6
74.58749	0.2
79.05485	2.7
81.03399	1.3
81.07056	3.0
83.04986	0.4
83.08611	0.5
85.02898	4.6
85.75216	0.3
87.04462	0.3
91.03955	2.3
91.05458	1.1
93.07039	2.9
93.07590	0.2
95.04981	0.6
95.08604	2.8
97.02889	4.4
97.06477	0.5
99.04469	0.9
101.02366	1.2
105.04498	0.2
105.07039	0.9
107.04976	0.3
107.08586	1.6
109.02898	0.7
109.06467	0.2
109.10199	0.7
111.04434	0.3
115.03951	0.3
117.07006	0.5
119.08616	1.0
121.10135	1.1
123.11726	0.3
127.03921	1.2
131.08589	0.5
133.10138	0.4
135.11664	2.2
138.38910	0.2
140.82202	0.2
145.04999	0.3
145.10095	1.7
147.11713	0.3
163.11169	3.2
181.12299	0.7
185.04314	0.7
199.55608	0.2
203.05307	0.8
219.09952	0.3
227.12788	2.8
228.62271	0.2
229.30879	0.3
241.06905	0.3
243.08324	1.7
249.10944	5.1
259.07785	0.3
283.15503	0.3
305.13577	2.0
305.52719	0.2
307.38998	0.2
335.25800	0.5
347.09457	2.6
347.12689	0.2
363.09079	0.4
365.10754	0.8
405.13644	6.1
405.18637	0.4
463.03372	0.2
467.18860	8.8
495.27585	0.2
519.29242	4.8
527.89771	0.3
629.24103	5.5
630.24341	0.4
681.34497	4.7
745.40912	1.8
907.46484	100.0
908.46729	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	907.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04998	0.6
69.07063	0.6
69.77544	1.5
70.02955	2.2
70.06586	100.0
71.06925	0.7
72.00703	0.5
72.08152	1.7
82.06585	0.8
86.09698	14.1
87.05582	1.7
89.03791	0.6
89.15146	0.5
98.06061	1.2
98.09699	0.9
104.05327	6.5
107.19772	0.4
110.06017	0.6
110.07164	0.9
111.88351	0.5
112.11243	1.2
114.09150	0.5
115.08620	0.5
117.03753	0.5
125.07090	3.2
127.08679	4.1
128.80136	0.5
137.07109	0.9
138.12823	0.7
139.08635	3.9
141.10229	1.7
147.09052	0.5
150.05498	1.0
157.13367	2.0
166.08594	0.9
167.08141	7.9
167.11836	0.5
168.06564	0.9
169.09750	1.6
169.13469	0.6
172.11502	0.6
175.09009	2.5
183.14915	45.2
184.10860	0.6
184.15297	0.8
185.12859	1.4
193.13562	0.5
195.07603	4.5
195.11336	1.2
195.14935	0.6
196.05988	0.8
197.12813	0.7
201.06912	2.0
203.08476	2.0
208.14481	1.1
209.16521	1.0
211.14400	32.0
212.10344	3.2
218.09637	0.6
220.14421	3.0
221.12846	0.5
221.54071	0.5
223.14633	0.6
229.06424	0.9
235.14513	1.3
243.15187	0.8
246.08989	3.9
250.12061	0.6
262.15509	0.6
263.13879	5.0
266.15009	2.0
268.16422	0.5
272.10760	0.6
280.16553	3.7
282.18097	22.7
283.18469	0.6
291.13370	2.8
297.19141	0.6
298.15445	0.5
299.20715	0.7
300.13788	0.7
307.17673	1.2
308.16092	3.1
308.19424	1.0
317.12656	0.8
325.18503	3.0
326.11765	1.4
330.41022	0.5
334.17657	0.7
336.15451	0.9
343.14197	0.5
351.20242	4.5
351.23813	0.6
353.25473	1.8
362.17026	0.6
379.19656	1.8
379.23734	0.8
381.24860	4.6
385.22659	1.2
396.22327	5.9
413.22153	3.9
450.26917	0.6
452.28500	0.6
456.22372	0.8
478.26398	2.2
482.24289	1.8
492.31824	0.6
495.29300	6.2
499.26996	1.5
510.23697	7.9
527.26355	11.5
528.26648	0.6
553.27356	0.7
563.35492	0.9
581.28430	0.8
598.30603	1.4
607.29327	1.1
609.30273	1.4
611.95734	0.5
626.33215	4.2
676.39374	0.5
677.39203	0.8
680.34229	1.2
697.36823	2.3
709.41138	1.0
720.37225	3.1
737.39636	1.5
764.62555	0.6
765.42108	0.6
776.46478	1.6
780.44360	1.4
791.40753	4.8
793.46661	1.1
808.44000	10.4
809.43481	0.8
821.40936	0.7
836.46130	0.9
862.48511	0.6
879.50616	2.1
889.48328	1.8
890.48083	3.1
907.50787	12.8
908.49792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07071	3.8
70.06589	100.0
70.11517	1.0
71.06926	0.8
76.68346	0.4
80.43885	0.5
84.04484	1.2
86.09702	51.0
98.06051	18.3
98.23434	0.6
102.05548	2.0
114.09126	0.6
115.08749	0.6
116.07077	0.9
120.08103	7.6
125.61129	0.4
126.04087	0.7
126.05511	16.0
138.12762	4.5
144.41089	0.5
151.12292	1.1
154.08638	1.6
165.10291	0.8
167.11807	7.1
167.13069	0.8
172.11206	0.7
177.10303	0.8
183.14915	22.5
188.14430	0.6
193.12059	0.8
195.11272	11.2
195.12988	0.6
199.10753	7.4
199.12451	0.6
210.15953	0.5
211.14403	17.4
217.13408	0.7
227.10231	7.6
227.12064	0.6
233.16489	3.9
245.12907	0.9
261.16092	1.5
262.19128	0.8
278.77637	0.5
279.11139	0.5
279.27917	0.4
280.20361	2.0
294.18140	0.5
295.16437	0.4
307.21295	1.0
308.14307	0.7
308.19659	15.3
312.19156	0.5
325.22327	0.6
330.21951	1.4
334.38953	0.5
340.18555	3.4
342.18216	0.9
358.21259	4.0
368.18121	0.5
427.27005	6.3
428.27960	0.5
437.23880	0.7
455.26514	17.0
456.26813	1.1
471.30020	1.0
487.25223	0.8
540.35443	6.0
541.36627	0.5
568.34882	25.3
569.35474	1.5
600.33862	1.6
647.37097	2.5
681.43878	1.0
695.81287	0.5
766.44501	1.1
794.44281	13.8
795.44727	1.6
879.53564	8.8
880.53906	0.6
907.52863	25.9
908.52911	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	909.448
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	8.7
71.18002	0.6
86.09721	1.3
92.04787	0.6
120.08078	2.9
138.05219	0.5
148.13277	0.4
149.06856	0.7
153.10298	1.7
161.06923	0.9
172.11337	0.7
179.07941	0.6
181.09778	1.2
185.17833	0.5
189.10057	1.0
203.11827	0.5
211.08461	0.6
221.12900	0.9
224.10497	0.5
233.09035	0.5
245.09572	2.8
246.12152	0.9
262.12335	0.5
274.11847	0.9
274.15399	0.5
281.12695	0.6
286.35486	0.4
290.14896	1.7
292.16446	0.7
294.12381	1.5
296.13812	2.0
303.14435	0.5
324.13373	0.6
326.14914	0.9
336.16821	0.5
338.14996	0.5
344.16586	1.6
350.14899	1.7
380.15820	0.7
391.17523	1.0
393.18942	6.6
409.22336	0.9
419.20963	0.5
427.20605	0.9
437.21475	2.4
439.23273	3.0
445.21475	0.7
448.19516	0.6
462.37482	0.5
492.28030	0.5
496.25272	0.6
506.27814	2.2
540.26086	1.0
550.30219	0.8
556.28955	0.9
586.29980	1.8
607.30170	0.5
672.34747	0.6
690.36554	1.3
734.38513	1.3
744.36853	0.6
786.90936	0.5
807.42163	0.8
819.41504	1.2
837.41968	2.0
847.41083	1.2
863.44141	1.3
865.42151	2.3
881.44879	2.2
891.44379	2.4
909.44708	100.0
910.44958	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	909.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.1
69.03423	4.1
69.07072	0.9
70.06593	2.3
71.01353	0.6
71.04970	0.6
73.02916	4.7
73.03294	0.4
79.05490	2.9
81.03436	2.1
81.07053	3.6
82.06583	0.2
83.04967	0.3
83.08637	0.5
85.02901	7.1
87.04474	0.5
91.03959	4.4
91.05475	2.0
93.07050	3.5
95.04987	1.1
95.08602	2.4
97.02892	7.5
99.04457	1.1
103.03962	0.5
105.04550	0.3
105.07041	1.1
107.08585	1.5
109.02898	1.0
109.10162	0.8
115.03975	0.6
117.07031	0.4
119.08569	1.2
121.10145	1.3
123.04469	0.3
124.93819	0.3
125.14748	0.2
127.03924	1.5
131.08582	0.6
133.10115	0.6
135.11734	0.6
138.30170	0.2
139.13512	0.3
145.04955	0.5
147.11673	0.6
149.13284	0.4
157.10112	0.4
168.13864	0.5
175.11302	0.3
185.04256	0.8
193.12303	0.5
203.05357	0.6
230.15398	0.4
231.15752	0.2
243.08347	2.1
251.12593	0.7
261.22116	0.4
297.04309	0.3
305.08606	0.3
307.15500	0.2
335.26031	0.7
347.09512	2.4
354.87195	0.2
363.09128	0.4
365.10654	1.0
391.42661	0.3
405.13669	6.1
469.20490	3.9
477.20618	0.3
519.29321	5.4
631.25592	3.0
681.34375	6.5
682.36292	0.3
747.43091	1.3
909.48047	100.0
910.48517	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	909.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.3
67.05498	2.0
69.03425	2.9
69.07066	0.9
69.75762	0.9
69.76147	0.7
70.06596	0.9
71.05007	0.4
73.02915	3.9
78.16026	0.3
79.05484	1.8
81.03419	2.7
81.07058	2.8
81.28105	0.3
83.04998	0.5
83.08634	0.4
83.80755	0.3
84.15929	0.3
85.02903	6.7
91.03960	3.3
91.05485	1.9
93.07053	2.2
95.04979	1.4
95.08599	1.8
97.02895	4.5
99.04465	0.9
103.03980	0.4
103.08852	0.3
105.07051	1.4
107.04911	0.4
107.08620	1.0
109.02874	0.9
109.10162	0.6
119.08578	0.6
121.10165	1.1
123.11747	0.3
127.03925	1.5
129.07019	0.4
131.08569	0.9
133.10155	0.8
135.11752	0.4
147.11755	0.8
157.10086	0.4
165.05637	0.3
165.12263	0.3
175.11278	0.5
185.04247	0.7
193.12311	0.6
203.05305	0.7
211.13228	0.7
222.23203	0.4
243.08310	1.7
251.12585	0.8
253.92752	0.4
307.15295	0.8
313.08429	0.3
335.26062	0.7
347.09586	2.1
363.09103	0.7
365.10730	1.0
405.13675	4.7
469.20407	6.0
519.29474	3.7
574.15857	0.4
631.25574	5.0
681.34570	4.7
747.42511	0.9
909.48071	100.0
910.48346	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	909.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.0
67.05165	1.0
67.05502	19.4
69.07066	17.4
69.72735	2.5
71.08624	4.8
79.05474	4.6
80.45430	0.9
81.07050	25.8
83.05020	0.8
83.08610	9.4
85.10176	2.7
89.82367	0.8
91.05450	5.6
93.07026	7.0
95.04996	1.0
95.08598	24.4
97.06533	1.9
97.10170	5.4
105.07018	2.9
107.08588	3.4
108.13927	1.1
109.10153	9.1
111.08078	0.9
111.11740	1.2
112.99997	6.7
119.08555	2.8
121.10150	2.4
123.11698	2.7
129.02286	0.9
133.10129	2.4
134.98174	67.5
135.11661	1.8
137.13258	1.9
147.11687	1.3
149.13293	1.0
152.99153	0.9
161.13280	1.2
169.02574	4.6
175.14816	1.1
181.67091	0.9
209.01866	4.4
232.66151	0.9
313.27271	11.7
351.28918	16.4
352.28934	0.9
353.26425	1.9
355.68402	1.0
373.27139	3.2
391.28183	0.8
415.22467	1.3
429.23694	1.1
447.24792	70.3
448.25134	2.7
485.26340	100.0
486.26465	3.8
788.31158	1.0
919.17877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58879	0.4
66.46633	0.4
67.05496	0.5
69.03111	0.5
69.03427	5.6
70.02902	0.4
71.01338	1.6
71.04993	6.6
71.44241	0.4
73.02916	17.4
75.04431	0.4
79.05502	1.0
81.03393	1.4
81.07041	0.4
83.04966	5.3
85.02898	16.2
86.98796	0.4
87.04449	0.9
87.13181	0.5
89.03917	2.4
95.04962	0.6
96.34825	0.5
97.02891	9.5
97.06516	0.4
99.04425	1.3
103.05458	0.5
106.06559	0.7
107.04946	1.3
109.02893	0.8
111.04430	3.3
115.03902	3.2
117.03378	4.3
117.05747	0.5
118.06550	1.4
120.08153	0.4
122.06028	0.5
127.03894	1.4
128.04875	0.4
129.05478	3.4
130.06520	26.5
131.06039	1.9
132.06749	0.5
133.04977	1.5
133.07570	0.7
134.06081	0.4
135.04405	9.5
136.07555	0.7
139.03877	0.8
139.08725	0.7
142.06523	0.6
144.04451	0.7
145.01671	0.7
145.02834	7.6
145.07567	1.3
146.06046	0.7
147.06500	1.4
155.06007	2.4
156.06784	0.9
157.07578	1.1
160.06310	0.9
161.07092	3.7
163.03894	60.3
163.08635	1.0
164.04210	1.1
167.08234	0.9
173.07094	9.9
179.08276	0.4
181.04955	1.7
182.08409	0.6
185.07074	0.6
191.08142	29.6
192.08606	0.8
195.09277	0.6
197.07071	0.7
204.08322	0.5
204.10820	0.5
206.08296	0.4
207.09181	0.5
219.09155	1.0
220.09938	0.9
221.10727	0.9
225.07594	0.6
228.07857	0.5
232.09914	0.8
233.09000	1.0
233.11003	0.7
234.10257	1.2
235.08685	0.6
236.09419	0.8
243.08704	0.6
245.10730	3.8
247.08632	0.5
248.09392	1.5
248.11751	0.6
249.10191	0.9
255.09009	0.5
259.08740	0.5
260.09390	1.0
260.11838	1.0
261.10223	2.4
262.09732	1.6
262.13419	0.9
263.10333	13.6
264.10767	0.6
273.10175	2.7
274.10443	1.3
275.10327	2.2
276.11246	3.4
277.12186	1.2
278.12738	0.5
279.11288	7.0
280.14465	3.9
281.12830	5.4
287.10590	0.6
288.11356	1.4
289.12061	1.8
290.12885	12.3
291.11072	2.6
292.11923	1.0
300.11383	0.6
302.12946	0.8
304.14801	0.5
306.12326	2.7
307.07889	0.9
307.13052	6.6
308.13904	100.0
309.14258	2.4
320.13599	1.0
323.13910	0.5
325.09164	11.0
332.13812	1.9
349.14258	0.5
350.14923	6.9
374.14911	0.9
380.15939	0.9
398.15103	0.5
416.15945	1.2
418.17645	1.8
434.17142	2.6
436.18579	1.1
440.17987	1.4
454.19763	6.5
470.18909	1.2
482.19025	1.8
515.16669	3.8
568.23132	0.6
586.23907	5.0
594.45050	0.4
631.21753	2.0
632.22327	46.2
633.22858	1.9
674.23236	1.9
760.25671	0.6
764.25360	1.5
778.28027	7.7
793.26038	0.8
806.27429	2.2
910.32123	11.1
911.31042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02377	0.2
69.03424	2.5
71.01328	1.1
71.04987	3.5
72.14215	0.3
72.54116	0.2
73.02911	6.7
76.93574	0.2
81.03393	0.8
83.04973	2.4
85.02406	0.4
85.02897	6.6
87.91698	0.3
89.03904	1.5
96.57190	0.3
97.02335	0.4
97.02891	5.2
98.22707	0.5
99.04444	0.5
111.04397	1.2
115.03925	1.3
117.03371	4.3
123.03348	0.2
129.05446	0.9
131.15149	0.3
132.08067	0.8
133.04944	1.0
134.03583	0.4
135.04399	0.7
139.03839	0.3
145.02832	14.3
147.06540	0.5
149.05962	1.1
150.09135	0.9
160.07513	0.6
161.07079	0.6
163.03850	1.3
173.07127	1.1
175.08676	0.3
176.81363	0.3
177.05455	26.5
178.05795	0.5
186.07883	5.6
187.08647	5.3
189.10236	0.6
195.06471	1.0
199.08698	1.3
200.09433	0.4
204.08905	1.3
205.09685	1.2
214.07266	0.3
217.09724	5.2
218.10295	0.4
231.09827	2.4
235.10750	57.2
236.11102	1.2
245.09142	0.3
249.12419	3.6
258.12271	0.6
259.10776	2.0
262.12048	0.4
276.13416	1.8
277.11804	38.9
278.12097	0.7
294.14447	100.0
295.14813	1.6
309.10663	0.3
321.09787	0.6
336.15457	0.6
339.10684	8.4
340.10956	0.4
420.17404	1.3
426.18787	0.6
440.20239	2.7
456.19861	1.3
470.19052	0.4
520.48175	0.3
561.94043	0.3
632.24408	22.5
633.24237	0.7
669.37518	0.3
778.30267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42330	70.3
79.05448	84.0
80.74097	80.3
86.58105	66.5
112.89133	71.0
265.39185	70.6
335.25415	100.0
781.00873	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98389	1.0
67.05491	3.7
79.05474	0.9
91.88956	0.8
94.06568	2.8
108.08106	2.7
120.04465	1.5
120.08067	1.0
122.06006	13.1
133.03716	0.9
134.06021	3.6
136.07564	7.5
136.49390	0.9
140.07053	1.3
146.05998	2.3
148.07567	5.6
164.07031	2.3
166.08643	2.9
190.04941	1.4
204.06537	1.4
204.08318	1.0
209.10797	1.4
212.09560	0.9
213.10197	1.3
221.10809	1.4
222.11490	2.8
223.08597	8.1
223.12250	3.2
224.09193	1.1
224.12993	0.9
225.10193	20.0
225.13811	2.0
227.08205	1.1
227.11755	2.7
235.08629	3.7
235.12328	2.6
236.09410	3.0
236.13023	1.7
237.10213	9.3
237.13838	7.1
238.10938	6.7
239.11784	8.9
239.15378	1.7
240.12514	1.8
241.09537	2.1
241.13472	1.1
247.12337	2.3
248.09167	2.2
248.10870	1.5
248.12955	1.4
249.10265	9.7
249.12642	1.1
249.13795	1.3
250.10925	15.6
251.08163	8.4
251.11781	40.1
252.12479	7.6
253.13242	4.3
262.08414	1.1
262.10953	1.4
263.07809	1.3
263.11761	23.3
264.08881	1.8
264.12537	11.3
265.09796	9.0
265.13342	51.6
266.10571	3.3
266.13983	5.3
267.11237	3.2
267.14832	5.1
269.12653	1.2
275.11899	2.0
276.09952	1.0
276.12680	1.6
277.09692	5.3
277.13351	2.6
278.10336	6.4
279.11279	17.1
280.11951	2.2
281.12805	4.2
282.09732	2.7
282.13455	1.2
283.10797	10.9
283.13956	1.7
284.11151	2.0
291.11203	6.0
292.11847	1.8
293.12799	17.8
294.13583	1.8
295.10779	2.1
295.14267	2.2
296.11472	6.7
297.12283	7.3
298.13098	3.6
309.12277	25.3
309.15860	1.2
310.12982	4.2
311.13852	54.5
312.14481	3.0
319.10559	5.4
321.12338	7.2
323.10214	1.3
323.13879	1.3
324.11157	1.3
325.11920	1.1
337.11691	7.4
338.12448	7.7
339.13370	17.9
341.15274	1.3
344.09329	1.0
344.13702	1.7
353.14929	2.8
357.14575	1.6
358.15604	1.3
359.16193	1.5
369.14389	19.1
370.15158	1.3
371.16016	35.8
372.16727	3.5
386.18582	2.6
400.16180	1.5
409.13873	2.8
410.14520	2.6
411.15536	1.7
412.12665	3.5
414.18085	5.6
416.19485	2.7
425.13351	12.8
426.13986	2.5
427.14951	25.5
432.19171	14.3
434.20798	4.8
435.11630	1.5
436.12482	4.0
437.13303	2.1
440.12009	1.9
440.60486	1.1
442.17493	3.2
453.12717	12.8
454.13586	4.0
455.14413	23.8
456.14645	1.9
460.18671	10.4
472.14819	1.1
478.19717	3.1
485.15500	29.7
486.16003	3.7
487.17032	69.5
488.17416	3.8
530.18970	3.8
532.20844	6.7
548.20404	6.4
558.18744	2.3
568.22632	1.7
576.19672	71.4
577.20001	5.0
596.22357	18.5
608.22327	100.0
609.22595	5.4
627.23596	1.1
628.25305	1.3
700.24432	1.0
717.27600	33.1
718.27344	2.6
749.29456	2.6
757.26624	1.7
758.27655	5.8
834.45807	1.2
879.31885	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	911.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.2
69.03425	3.8
69.07056	0.6
69.72253	0.8
69.72643	1.0
71.01364	0.5
71.04990	1.0
73.02916	5.5
79.05490	2.4
81.03429	1.3
81.07056	4.9
83.01347	0.5
83.04968	0.5
85.02901	6.6
91.03954	4.5
91.05487	1.7
93.07050	3.0
94.50528	0.4
95.04991	0.7
95.08604	2.0
96.41888	0.4
97.02892	6.6
98.22717	0.5
99.04465	0.9
99.06500	0.4
101.02380	2.2
103.03938	0.6
105.07053	0.9
107.08632	1.7
109.02904	0.9
109.10182	0.6
115.03927	0.5
117.07034	0.5
121.10181	1.1
127.03914	2.6
131.08594	0.6
133.10164	0.7
135.11691	0.7
145.04916	0.6
147.11813	0.7
149.13251	0.7
159.11888	0.6
185.04237	0.9
187.13361	0.5
199.20297	0.5
203.05322	0.7
209.11699	0.5
243.08482	1.5
334.68771	0.4
335.25836	1.3
347.09549	2.9
365.10687	1.3
376.08945	0.5
405.13641	5.9
414.96182	0.4
427.19412	5.5
469.21594	0.5
471.22321	0.7
519.29187	6.7
589.24817	5.2
596.98645	0.6
633.26758	0.9
681.34485	9.1
681.45416	0.7
705.41821	1.9
723.39435	0.8
741.12543	0.5
749.44452	0.7
867.47192	5.4
868.47522	0.9
911.49628	100.0
912.49805	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	911.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.8
69.03433	3.8
69.79363	1.2
69.79713	1.7
71.05011	0.8
73.02914	4.2
79.05518	2.0
81.03425	1.3
81.07041	5.2
81.07418	0.6
85.02905	7.0
85.03352	0.7
91.03954	3.6
91.05504	1.7
93.07050	2.3
95.08647	2.0
97.02894	5.7
99.04425	0.9
101.02410	2.1
107.08613	1.3
109.10131	0.5
113.26732	0.6
117.07024	0.8
119.08576	0.6
121.10201	0.8
127.03973	1.2
131.08585	1.0
133.10132	1.1
135.11807	0.8
139.53676	0.5
158.80638	0.5
159.11763	0.9
185.04227	1.2
185.42346	0.6
187.13414	0.7
197.11415	0.7
203.05431	0.7
243.08492	1.6
243.15814	0.7
335.26111	0.8
347.09454	3.8
365.10672	1.5
405.13757	6.1
427.19333	7.5
471.22665	1.1
519.29242	4.8
589.24530	8.3
633.27228	3.6
681.34320	5.4
705.42181	1.8
867.47028	4.4
911.49585	100.0
912.49481	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	911.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.5
67.05500	31.5
69.07063	21.0
71.04995	1.0
71.08614	1.5
71.44495	0.6
75.54375	0.5
79.05486	8.9
81.07050	39.5
82.24512	0.5
83.04951	1.3
83.08617	10.2
85.06539	0.8
91.05473	5.3
93.07036	10.3
95.04962	1.7
95.08599	32.9
97.06527	2.4
97.10156	5.3
99.08091	1.3
103.58728	0.5
105.07025	5.0
107.08591	6.6
109.10149	11.7
111.08081	1.2
111.11703	1.5
113.00010	97.3
119.08559	4.4
121.10125	6.5
123.08053	0.7
123.11701	4.4
125.09643	0.6
131.01056	1.0
133.10127	5.5
135.11650	3.1
137.09608	0.7
137.13245	2.8
147.11687	2.6
149.13240	1.9
151.14789	1.3
155.00964	0.7
161.13232	2.3
161.14394	0.6
163.14767	1.2
165.12804	0.9
165.16455	0.5
167.41011	0.7
169.02600	98.8
170.02963	1.1
175.14830	1.6
177.16438	1.3
187.03647	6.6
189.16341	0.8
193.15941	0.6
245.22685	4.3
259.24252	1.4
263.23663	9.9
272.12640	0.5
273.03842	0.6
277.25323	4.2
337.27335	37.2
338.27594	1.0
351.28912	100.0
352.29282	3.4
392.03760	0.5
431.25574	2.2
473.95682	0.5
628.43927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.7
67.05502	24.2
69.07066	15.3
70.14986	1.3
71.08617	0.9
71.64513	0.4
79.05490	7.1
81.07053	27.3
83.04974	0.7
83.08611	7.4
85.06525	1.1
91.05476	5.1
93.07037	8.7
94.74254	0.4
95.04966	0.7
95.08601	24.4
95.79346	0.4
96.08930	0.4
97.06509	2.3
97.10160	4.4
99.08118	0.8
105.04556	0.5
105.07035	3.1
107.08584	5.8
109.06475	0.5
109.10154	8.6
110.05355	0.5
111.08050	1.1
111.11751	1.0
113.00009	70.2
119.08572	2.9
121.10156	4.2
123.08029	0.9
123.11704	3.3
133.10129	2.0
134.98181	0.7
135.11679	2.6
137.09573	1.0
137.13255	1.9
138.75369	0.4
147.11630	2.2
149.13252	1.9
151.14842	1.6
153.12827	0.5
155.00926	0.6
161.13304	1.3
163.14758	0.9
165.12759	0.6
165.16428	0.9
169.02602	97.3
170.02960	0.6
175.14836	1.4
177.16374	0.7
179.17986	0.6
187.03625	5.7
189.16348	0.9
245.22606	4.0
247.24463	0.4
248.73842	0.5
259.24265	1.4
263.23703	11.1
277.25226	4.1
337.27338	36.5
338.27621	0.6
351.28912	100.0
352.29306	3.1
379.46066	0.5
431.25662	2.6
485.26566	1.1
486.26471	0.8
487.21719	1.1
821.11200	0.6
919.78906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80440	0.2
69.03063	0.3
69.03420	4.5
71.01337	0.8
71.04988	5.2
73.02543	0.3
73.02913	4.6
75.04469	0.4
79.05473	0.5
81.03413	1.2
83.04967	1.9
85.02895	8.3
87.04465	0.2
89.03899	3.7
95.04969	0.5
97.02884	7.1
99.04442	0.7
101.02381	0.2
103.03925	0.4
104.73501	0.2
107.04957	1.2
109.02852	0.6
111.04440	1.0
115.03924	1.1
117.03366	5.0
117.04191	0.3
118.52986	0.2
121.03026	0.2
123.04402	0.2
125.86945	0.2
127.03891	0.6
129.05479	1.6
132.04520	0.2
132.13840	0.2
133.04959	0.5
134.05991	1.6
135.04399	11.6
139.03847	0.3
145.02837	9.4
146.05975	0.3
147.06551	0.8
149.00578	0.2
149.04439	0.3
150.03709	1.2
157.05219	0.3
159.06821	0.3
162.03734	0.5
163.03880	95.1
164.01663	1.0
164.04187	1.5
175.06221	1.1
177.02429	3.1
178.03194	27.4
179.03566	0.4
181.04916	2.1
190.03194	15.3
191.03574	0.4
192.04747	0.8
208.04247	83.9
209.04886	2.9
210.03906	0.4
210.05804	3.4
220.04295	0.3
225.07535	0.5
232.04243	0.6
236.03735	3.5
249.06841	0.2
254.02110	0.4
254.04790	7.2
265.06415	5.8
293.05829	0.7
295.08087	0.4
307.07983	0.9
309.09628	0.4
311.06906	100.0
312.07199	2.3
313.06738	0.2
323.06970	0.3
325.09146	17.1
326.09650	0.4
335.06799	0.2
353.08057	0.4
365.07742	0.2
380.45184	0.2
443.10992	0.6
455.11102	0.3
457.12564	2.0
473.11954	0.7
577.19635	0.3
610.23029	0.2
635.14612	0.4
926.00433	0.3
939.46674	0.2
946.76306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40707	0.2
69.03074	0.3
69.03423	4.2
71.01344	0.7
71.04983	5.2
73.02536	0.4
73.02907	4.7
79.05504	0.6
81.03394	1.1
83.04968	1.6
85.02895	9.3
86.03208	0.3
87.04434	0.4
89.03905	3.7
95.04940	0.5
97.02882	7.9
99.04435	0.7
103.03932	0.4
107.04935	1.1
109.02863	0.3
111.04424	1.1
115.03922	0.9
117.03359	4.7
121.02753	0.3
127.03892	0.6
129.05450	2.1
132.18797	0.3
133.04935	0.5
134.06046	1.7
135.04399	12.2
139.03865	0.4
145.02834	10.3
146.05972	0.5
147.06456	0.7
149.04486	0.3
150.03743	1.7
157.05168	0.4
159.06812	0.5
162.03694	0.5
163.03882	99.9
164.01633	0.9
164.04167	1.6
166.03551	0.2
175.06209	1.4
177.02388	2.9
178.03194	31.6
179.03716	0.4
181.04915	2.3
190.03183	16.7
191.03604	0.5
192.04738	0.8
208.04247	86.3
208.71683	0.3
209.04829	2.9
210.05817	3.0
220.04329	0.4
225.07680	0.3
232.04173	0.4
236.03725	2.9
250.05095	0.3
254.04794	7.4
262.05377	0.3
265.06384	5.7
277.07541	0.3
293.05890	0.6
295.08206	0.6
306.06345	0.3
307.07941	0.8
309.09531	0.6
311.06909	100.0
312.07242	2.8
313.06421	0.3
323.07513	0.3
325.09146	14.5
326.09348	0.5
353.08118	0.4
443.11038	0.5
448.43320	0.3
455.11411	0.3
457.12601	1.9
473.12152	0.5
527.77039	0.3
572.68951	0.3
648.51031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.8
70.06600	1.8
71.01357	0.7
71.04980	3.5
73.02911	8.0
79.05497	0.4
81.03385	0.8
83.04975	3.9
83.51885	0.3
84.04496	78.9
84.08127	0.3
85.02898	9.7
85.03415	0.5
85.04827	0.6
89.03891	1.8
91.05476	0.6
95.04933	0.3
97.02876	4.3
99.04458	0.6
101.07140	5.9
102.05534	1.9
107.04960	1.5
111.04429	2.0
115.03913	2.0
117.03361	5.1
117.18273	0.3
129.05476	1.2
129.91031	0.3
130.04988	100.0
131.05275	0.6
133.04964	1.2
134.03568	0.3
135.04396	2.3
137.05997	0.4
139.12971	0.3
145.02837	19.3
146.03165	0.3
147.07628	98.3
148.07999	0.4
149.05966	2.0
153.05478	1.4
163.03865	2.1
172.15086	0.4
177.05449	47.7
178.05811	0.7
189.08728	0.4
195.06479	1.1
211.86328	0.3
229.22151	0.4
231.06351	0.3
241.58463	0.3
293.13489	0.7
299.12280	1.8
307.49866	0.3
321.09512	0.5
323.92722	0.3
325.89441	0.3
339.06729	0.5
339.10709	10.0
425.17401	1.3
469.52628	0.3
541.46478	0.3
637.22278	3.4
677.02814	0.4
688.90009	0.3
710.88538	0.3
915.45715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.6022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52940	0.3
69.07058	0.6
69.84056	1.2
70.06584	100.0
71.06913	0.6
72.08147	1.7
77.34142	0.4
84.08133	22.4
85.02898	0.5
86.02411	0.5
86.09695	28.6
98.06039	1.5
98.09674	0.5
99.09204	0.9
111.09216	0.6
112.56317	0.4
114.09149	0.4
115.08692	3.0
124.11246	1.5
126.05508	1.2
127.08665	16.7
129.10226	32.9
138.12758	4.1
139.08650	1.2
143.11803	1.4
152.14355	1.0
153.13730	0.4
154.15887	1.0
155.08133	59.9
156.08530	0.7
165.13918	0.8
167.11823	0.4
167.15474	0.7
169.13351	0.9
171.06552	0.4
171.11316	0.5
172.10841	0.7
181.13388	1.3
183.14909	15.8
191.11816	0.4
193.13371	1.1
195.11282	0.7
195.14853	0.4
197.12865	1.3
197.16472	0.6
200.17592	0.7
208.14459	0.6
209.12892	0.7
210.15985	4.4
211.14389	5.5
222.16031	0.6
223.14362	0.4
225.15994	0.9
226.15483	17.8
228.17070	0.8
236.13980	0.4
238.15561	1.0
240.17035	8.7
251.21223	1.7
252.13406	1.0
254.15001	1.8
256.16510	2.0
268.16531	29.5
269.16949	0.7
285.19220	0.4
294.21890	1.0
297.22943	0.8
307.21210	3.7
314.58585	0.4
325.22290	3.3
337.22037	1.9
339.23795	1.3
353.25504	4.6
365.21796	3.0
367.23486	1.1
381.03345	0.4
381.24942	4.0
393.28674	0.7
438.30679	1.2
450.30795	2.2
478.30258	2.6
493.20374	0.4
495.32776	0.4
510.74341	0.4
535.36005	3.6
563.39209	0.7
591.38641	6.6
606.39948	1.8
632.42377	0.5
667.20111	0.4
687.45325	2.4
690.44940	0.4
705.46588	4.2
706.46002	0.6
802.50934	0.5
816.53412	2.3
887.60535	2.7
897.59033	5.2
898.59363	0.6
915.60126	70.3
916.60547	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	916.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35088	1.2
69.03425	3.7
70.06564	1.5
71.01348	1.3
71.04995	4.9
73.02914	9.8
83.04987	3.4
84.91202	1.5
85.02907	10.1
89.03933	2.1
93.07074	1.4
96.85249	1.2
97.02897	7.5
99.04414	1.3
107.04951	17.8
111.04441	1.2
111.24987	1.1
112.10695	1.1
113.29379	1.2
115.03939	2.4
117.03368	7.2
121.06572	1.4
127.03901	1.8
129.05486	2.5
132.04459	4.1
133.05194	5.3
135.04460	1.8
143.85966	1.1
145.02834	24.5
149.05975	2.9
161.04753	2.1
163.03885	1.7
176.07063	14.7
177.05461	46.0
195.06535	1.8
206.08170	4.5
222.09126	2.4
225.07745	1.4
250.08743	1.6
251.09367	1.4
252.10437	1.3
254.11847	2.7
266.08075	1.5
267.08813	11.4
282.11224	38.5
283.11542	1.3
300.12283	100.0
339.10724	17.1
416.01398	1.3
429.68045	1.2
453.33490	1.5
634.70752	1.5
638.21875	5.0
843.26935	1.5
916.67255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	4.8
70.06582	2.2
71.01326	1.4
71.04977	5.7
73.02913	9.4
73.77731	0.9
81.03432	1.3
83.04972	3.6
84.80730	1.0
85.02892	11.6
85.31069	0.9
89.03905	3.2
91.05502	1.1
97.02885	8.2
98.22720	3.1
107.04945	15.4
111.04422	2.7
115.03947	2.5
117.03358	6.6
120.27532	0.9
121.06566	1.0
127.03925	1.3
129.05472	2.8
129.93138	0.9
132.04474	4.7
133.05220	5.4
145.02827	19.5
148.07494	1.2
149.05939	2.1
161.04735	1.8
163.03946	2.2
176.07039	14.9
177.05447	50.0
195.06616	1.0
206.08179	4.4
222.09074	2.0
240.10164	1.3
250.08524	2.5
251.09428	2.0
252.06525	1.1
254.11717	1.9
267.08856	9.7
282.11215	46.1
283.11649	1.0
300.12268	100.0
301.12570	1.8
315.14221	0.9
321.09933	1.0
339.10669	16.9
339.14719	1.3
418.78922	1.2
638.21881	7.3
649.79102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.5
69.03425	2.9
69.92555	0.6
69.92884	0.4
71.01356	0.3
71.04983	3.5
73.02923	2.5
78.04694	0.3
79.05502	0.3
81.03423	0.8
81.07050	0.4
83.04974	100.0
84.05300	0.6
85.02898	5.2
87.04482	0.9
89.03895	2.2
91.05464	0.6
95.04982	0.4
97.02892	4.5
99.04449	0.9
101.02411	0.4
101.06001	0.5
105.07050	0.3
109.02911	0.4
111.04436	83.5
112.04759	0.6
113.06003	0.7
115.03891	0.7
117.03374	8.8
119.04865	0.5
122.39758	0.3
123.04385	0.3
127.03864	0.8
129.05472	8.3
131.04912	0.3
131.08504	0.3
134.03586	0.6
135.04465	0.6
137.05954	1.1
143.08556	0.3
145.02837	35.5
146.03130	0.5
149.05971	3.5
151.07518	0.9
153.05475	0.7
157.01381	0.3
161.05954	0.6
163.03897	0.5
163.07501	0.4
165.05406	1.1
169.10225	0.4
171.06514	24.3
173.09663	0.3
175.07582	0.5
177.05455	99.0
178.05823	1.5
186.05473	0.5
189.07574	0.4
189.09108	1.2
191.07144	0.3
195.06569	1.4
197.09613	0.4
207.10152	5.1
215.10669	2.7
217.12250	1.2
231.08612	24.5
233.11674	4.3
235.13290	1.4
236.73424	0.3
261.11356	0.4
265.14282	1.7
321.09714	1.4
323.11029	0.3
339.10730	23.1
340.10947	0.6
344.91998	0.3
407.13232	0.3
569.18719	0.5
611.17456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
67.05501	2.4
67.05856	0.1
69.03426	0.8
71.01366	0.3
71.04990	0.4
73.02888	0.1
81.03423	0.3
83.04974	45.1
84.05319	0.3
85.02896	96.9
86.03242	0.6
87.04462	0.9
89.03900	0.8
91.05470	0.3
97.02878	1.3
98.22614	0.3
99.04474	0.6
101.02410	0.2
101.05995	0.3
111.04432	25.8
112.04738	0.2
117.03374	2.7
119.04987	0.3
127.03905	5.9
129.05466	12.7
130.05872	0.1
134.03650	0.2
135.04433	0.2
145.02831	12.0
149.05962	1.4
151.07520	0.6
153.05460	0.5
163.03896	0.2
171.06505	100.0
172.06877	1.2
175.07600	0.1
177.05447	37.6
178.05768	0.5
179.04591	0.1
179.06911	0.2
181.08560	0.1
186.05487	0.2
195.06506	1.1
215.31863	0.1
231.08607	22.8
232.09013	0.4
235.09676	0.2
259.09460	0.3
277.10614	0.2
287.09177	0.2
293.62155	0.1
321.09747	0.3
339.10693	9.9
340.10931	0.2
345.13242	0.2
407.13388	0.8
516.33783	0.1
569.18524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
67.05498	2.5
69.03422	0.4
69.21816	1.8
71.01350	0.5
80.99149	0.2
83.04971	43.2
84.05302	0.4
85.02892	91.6
86.03223	0.6
87.04462	0.9
89.03921	1.1
91.05462	0.3
97.02882	0.7
101.06013	0.5
104.97163	0.3
111.04428	24.6
114.80666	0.3
117.03371	3.6
127.03905	4.9
129.05464	13.2
135.04373	0.4
145.02821	9.4
145.03941	0.6
149.05972	1.3
151.07526	0.8
153.05446	0.4
168.65857	0.3
168.67268	0.4
171.06500	100.0
172.06825	2.1
172.16307	0.3
177.05447	24.1
178.05775	0.6
185.09775	0.3
195.06554	0.6
210.44957	0.3
231.08604	18.1
232.08910	0.5
339.10791	1.5
391.64041	0.3
407.13470	0.4
811.41223	0.3
895.03650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96581	0.2
65.03938	0.3
67.05488	0.3
69.03423	6.4
70.06574	0.3
71.01324	0.3
71.04980	0.6
81.03420	0.4
83.04972	56.8
84.05283	0.3
85.02900	3.9
87.00796	1.4
87.04451	0.3
89.02385	0.6
89.03907	0.9
91.05450	0.2
95.04956	0.2
97.02887	1.2
98.22683	0.4
99.04473	0.3
101.06019	0.4
103.03951	0.6
111.04432	100.0
112.04776	0.7
117.03369	2.5
127.03899	1.2
129.01811	0.3
129.05466	8.7
135.04460	0.4
136.06163	0.2
145.02834	10.6
149.05988	1.1
151.07582	0.5
153.05450	47.8
154.05830	0.5
155.80055	0.2
163.03932	0.8
171.06514	8.1
177.05450	36.8
178.05875	0.4
179.07031	0.3
195.06552	0.8
213.07555	4.4
231.08611	56.1
232.08969	0.8
243.22816	0.2
261.11209	0.5
312.07080	0.3
321.09464	0.3
339.10721	10.8
340.10983	0.3
407.13257	1.0
571.95563	0.2
634.98804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	1.2
67.05502	16.2
68.05809	0.7
69.07061	9.7
70.18793	1.7
79.05487	7.4
81.07047	17.5
83.08607	5.7
91.05471	3.8
93.07036	7.8
95.08598	15.9
95.83422	0.6
97.06512	0.7
97.10150	1.5
99.08105	0.8
105.07008	3.5
107.08579	4.6
109.10159	6.5
111.11733	0.8
119.08582	3.0
121.10135	4.1
123.11680	2.0
131.08560	0.8
133.10129	2.2
134.98170	47.5
135.11700	1.4
137.13249	0.9
145.10103	0.7
147.11664	1.3
149.13245	1.1
159.11676	0.7
161.13228	1.3
176.99196	1.2
209.01839	5.0
264.97250	2.4
282.98297	2.1
320.99768	1.4
335.25830	2.4
337.27292	8.9
357.24170	1.3
359.25580	2.9
375.25037	2.6
437.20407	0.8
451.22089	1.5
469.23233	100.0
470.23569	10.2
471.24713	53.8
472.25021	0.7
554.92188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.1
67.05494	0.1
68.99805	0.2
69.03426	1.2
71.01347	0.2
71.04989	10.0
73.02920	0.8
75.04478	0.6
76.11421	0.1
81.03417	0.5
83.04975	1.9
85.02898	15.1
87.04470	0.4
91.03973	0.1
93.03406	0.2
94.31225	0.1
95.04964	0.4
97.02888	0.9
99.04461	0.6
101.06031	0.1
103.03944	0.1
109.02865	0.5
111.00785	0.6
111.04437	1.3
113.06006	0.1
117.05503	0.2
121.02847	0.6
123.04440	0.2
127.03905	1.0
129.05470	4.0
135.04443	0.2
137.02328	2.2
137.03342	0.1
137.05946	0.1
145.04985	0.6
145.06129	0.1
147.06511	1.3
149.02356	0.5
149.05884	0.1
153.01810	2.1
153.05469	0.4
159.04468	0.1
163.03934	0.4
163.05969	0.4
165.01843	1.5
166.02628	0.2
171.06499	0.1
173.06058	0.2
177.05487	0.2
181.04805	0.1
183.02931	0.5
191.03432	0.2
195.02879	0.2
201.05490	0.6
205.05008	0.2
213.07671	0.1
215.03389	0.2
219.02869	0.2
219.06642	0.1
228.04266	0.1
229.04926	2.7
239.09100	0.6
247.05977	0.7
257.04419	2.2
257.10208	0.2
258.04895	0.1
261.03973	0.1
274.04871	0.5
275.05533	0.2
275.11243	0.1
285.03900	1.3
286.04620	0.1
287.05481	1.8
297.22717	0.1
302.04434	0.1
303.04953	100.0
304.05298	2.3
315.05032	0.5
327.04892	0.3
341.06592	0.1
345.06024	1.6
369.06152	0.4
395.07550	0.2
413.08652	0.4
431.09729	0.5
449.10693	1.8
450.10608	0.1
465.10266	32.0
466.10574	1.0
479.14847	0.1
509.28015	0.1
611.15863	0.9
627.15381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
67.05498	13.9
69.07062	8.0
71.04980	0.6
71.08624	0.7
75.72401	0.3
79.05473	3.9
81.07049	15.5
83.04943	0.4
83.08607	5.6
85.06532	0.4
91.05461	2.4
93.07039	4.2
94.14697	0.3
94.51287	0.3
95.08594	11.6
97.06511	1.0
97.10139	1.9
99.08103	0.4
100.95500	0.3
104.04626	0.3
105.07043	2.0
107.08592	2.5
109.06488	0.3
109.10148	4.7
109.31553	0.3
111.08061	0.6
111.11694	0.4
119.08591	1.7
121.10143	1.9
123.11706	2.0
125.09637	0.4
133.10103	1.7
134.98170	40.3
135.11674	1.1
137.13271	0.4
147.11693	0.9
149.13287	0.4
152.99240	0.4
161.13184	0.4
163.14816	0.5
175.14856	0.7
176.00754	0.4
209.01898	1.0
250.95546	0.7
263.23737	0.6
264.97092	0.5
266.97055	0.4
282.98352	0.7
297.07172	0.4
298.94202	0.3
337.27286	11.3
338.27701	0.4
359.25519	5.4
417.98166	0.4
446.59906	0.5
469.23361	1.2
470.23697	1.4
471.24777	100.0
472.25229	4.0
473.25308	0.7
533.85913	0.4
555.66736	0.4
850.84009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.7
67.05497	54.2
69.03416	3.0
69.07065	11.6
71.04988	17.3
73.02909	3.7
73.06534	0.7
79.05483	28.9
81.03419	2.1
81.07046	80.4
83.04982	4.0
83.08605	7.9
85.02891	12.3
85.06539	8.3
91.03950	7.9
91.05469	24.6
91.09697	0.6
93.07033	33.2
95.04966	5.6
95.08595	25.2
97.02885	5.4
97.06507	5.2
97.10180	1.8
99.04434	1.0
99.08082	1.3
105.04510	1.6
105.07017	14.0
107.08581	18.2
109.06518	1.9
109.10142	13.1
111.08058	1.3
115.03945	0.7
117.07010	5.0
119.08572	9.5
121.10127	16.0
123.11695	12.5
123.22788	0.7
125.09608	0.9
127.03929	2.5
129.06956	1.3
131.08553	7.9
133.10114	18.1
135.11685	10.0
143.08588	0.8
145.04953	2.9
145.10098	5.6
147.11674	4.1
149.13229	7.7
151.11166	7.1
153.12706	1.1
157.10155	1.3
159.11673	6.5
161.13202	3.9
163.05965	3.1
163.15010	0.6
165.12885	0.7
169.12404	0.7
171.11697	1.1
173.13277	2.7
175.14819	1.5
177.12788	2.1
183.13831	1.9
185.13161	1.4
187.13290	4.6
187.14822	1.7
195.13838	2.2
199.14812	0.9
201.14752	0.8
217.61382	0.7
227.16437	2.4
243.15839	1.3
243.20914	0.9
246.06122	0.7
253.17941	1.5
257.17505	2.9
259.20551	1.0
261.22183	3.2
269.17444	6.6
301.20047	21.1
317.24670	1.0
335.21719	1.1
335.25757	20.1
355.68381	0.7
411.32538	1.5
424.20197	0.7
437.34381	1.7
445.24231	0.9
455.35281	1.0
471.24573	1.2
472.25345	1.8
476.32602	0.7
485.36227	4.0
498.05792	0.7
503.37244	83.3
504.37683	3.9
511.37619	2.4
517.39056	3.4
529.38818	28.6
530.39166	1.3
543.41425	0.8
547.39984	1.2
561.41443	100.0
562.41864	4.1
705.45215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.3
67.05501	48.6
69.03418	2.2
69.07060	7.3
71.04993	14.7
73.02908	2.6
77.03919	0.8
79.05488	25.0
81.03411	1.3
81.07050	71.3
83.04977	3.2
83.08617	6.1
85.02898	8.8
85.06541	6.1
91.03949	5.6
91.05469	22.5
93.07037	30.6
95.04971	4.3
95.08598	19.9
97.02887	5.4
97.06526	4.2
97.10163	2.4
98.23498	1.7
99.08102	1.1
105.04517	1.4
105.07021	11.7
105.90015	0.7
107.08592	16.6
109.06525	1.6
109.10135	9.5
111.08075	1.5
117.07002	4.7
119.08560	6.5
121.10135	11.4
123.11693	10.1
125.09656	0.9
127.03899	1.7
131.08553	5.2
133.10121	13.8
135.11679	8.0
143.08623	0.8
145.04974	2.0
145.10156	3.7
147.11685	4.3
149.13208	4.1
151.11142	4.8
157.10103	1.4
159.11682	6.3
161.13281	1.8
163.06042	2.7
163.14832	0.9
173.13309	2.7
175.14874	1.0
177.12743	1.7
183.13884	2.0
187.13324	3.0
187.14854	1.2
195.13860	1.5
227.16505	1.2
243.15875	1.2
243.21091	1.0
253.17865	1.1
257.17575	1.2
261.22174	2.7
269.17493	5.1
297.47723	0.6
301.20065	11.1
310.29413	0.7
317.24777	1.3
335.25742	24.6
411.32730	0.8
445.24319	0.7
471.24167	0.9
485.36481	2.2
503.37277	73.2
504.37570	2.5
511.37973	0.7
517.38989	2.6
529.38849	13.8
547.40131	1.3
561.41467	100.0
562.42255	3.8
647.41504	0.9
691.44244	1.1
705.45770	1.8
920.60321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.3
69.03441	0.4
77.57745	0.3
79.84345	0.2
83.04990	1.5
84.05311	0.3
85.02893	2.9
86.03233	0.5
89.03931	0.4
91.05460	2.2
93.07049	0.3
95.04964	0.5
97.02900	0.9
98.22643	0.9
105.56966	0.2
111.04445	1.0
117.03400	0.9
119.04932	1.4
129.05533	0.4
137.06001	0.5
145.02821	2.0
151.07545	2.8
171.06572	1.0
172.06960	0.4
177.05437	2.2
178.05878	0.4
185.04259	0.4
193.04652	1.2
203.05328	0.8
211.05905	0.5
221.75648	0.3
245.06412	0.5
285.09708	0.3
287.07242	3.1
301.09055	1.0
311.07489	0.3
313.08951	0.6
317.10153	0.5
325.47369	0.3
329.08377	0.5
335.11221	0.5
479.15140	0.6
481.17566	0.3
497.16254	1.8
523.14423	0.6
529.17090	1.0
565.18964	0.4
691.21930	4.0
714.20850	0.3
727.25061	0.3
759.25018	0.7
921.29846	100.0
922.30090	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	921.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.3
69.03424	0.4
83.04980	2.1
85.02901	3.1
91.05456	3.1
94.69518	0.3
95.04968	0.4
97.02888	0.8
99.76342	0.3
111.04462	1.0
115.15182	0.3
117.03419	1.2
119.04922	1.8
121.81451	0.3
126.16386	0.4
129.05438	0.4
136.03268	0.3
137.06029	0.7
145.02843	2.1
151.07500	2.8
161.52063	0.4
163.03996	0.3
171.06511	0.5
173.07063	0.4
177.05449	2.6
181.91103	0.4
185.04329	0.4
193.04674	1.9
201.05428	0.3
203.05322	1.1
211.05809	0.5
261.07382	0.8
271.07895	0.9
287.07297	4.2
301.08902	1.8
305.08179	0.5
329.08533	0.6
335.10782	0.8
337.10788	1.3
479.15436	1.0
495.14835	0.4
497.16281	3.3
529.17041	1.1
531.16809	0.4
565.18658	0.7
644.20587	0.4
691.21948	3.6
715.04828	0.4
727.23615	0.8
759.24823	1.0
921.29810	100.0
922.29999	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	921.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00136	0.1
70.06528	0.3
70.94488	0.2
97.02812	0.2
145.02766	0.2
147.06454	0.4
163.03825	0.2
178.56755	0.1
191.05507	0.9
191.06941	0.2
204.06300	2.2
205.07004	0.4
218.07884	1.7
219.06999	0.2
219.08633	1.7
246.07446	0.2
264.08347	0.6
276.12048	0.2
286.10373	0.4
288.12039	2.4
300.11981	0.6
301.12396	0.2
302.13318	0.2
314.13565	0.2
319.13135	0.2
323.21518	0.2
352.76111	0.2
398.19421	1.1
423.46338	0.2
426.22501	3.6
436.20944	3.8
439.77945	0.2
454.21967	39.9
455.22610	1.5
472.23019	100.0
473.23346	3.7
474.13385	0.2
624.36560	0.2
626.96002	0.2
766.24353	0.2
921.32996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26056	0.5
74.09319	0.5
97.59737	0.6
102.99584	0.5
118.18661	0.8
119.41551	0.6
126.84286	0.6
132.49651	0.6
141.48090	0.6
146.23857	0.7
156.07768	0.7
180.38086	0.6
191.35483	0.6
202.03120	0.5
290.14618	0.8
396.02618	0.7
409.01218	0.6
579.26825	0.8
686.47961	0.7
718.63074	0.7
747.36395	1.0
850.43842	0.9
894.42712	2.6
922.42462	100.0
923.42633	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	922.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26056	0.5
74.09319	0.5
97.59737	0.6
102.99584	0.5
118.18661	0.8
119.41551	0.6
126.84286	0.6
132.49651	0.6
141.48090	0.6
146.23857	0.7
156.07768	0.7
180.38086	0.6
191.35483	0.6
202.03120	0.5
290.14618	0.8
396.02618	0.7
409.01218	0.6
579.26825	0.8
686.47961	0.7
718.63074	0.7
747.36395	1.0
850.43842	0.9
894.42712	2.6
922.42462	100.0
923.42633	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	922.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39172	0.4
70.06595	1.1
71.44164	0.4
83.20239	0.4
86.97504	0.4
170.36998	0.4
201.10535	0.5
245.16872	0.4
246.12173	0.5
263.11554	0.5
274.11517	0.6
350.15085	0.5
351.17862	0.8
393.18954	1.3
432.20291	0.8
450.21078	0.5
520.24298	0.5
579.27356	0.8
747.36731	0.6
752.50616	0.5
782.40161	0.5
806.38959	0.6
834.38416	0.9
850.41949	1.2
878.41821	1.0
894.42230	2.5
922.42670	100.0
923.43146	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	922.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39172	0.4
70.06595	1.1
71.44164	0.4
83.20239	0.4
86.97504	0.4
170.36998	0.4
201.10535	0.5
245.16872	0.4
246.12173	0.5
263.11554	0.5
274.11517	0.6
350.15085	0.5
351.17862	0.8
393.18954	1.3
432.20291	0.8
450.21078	0.5
520.24298	0.5
579.27356	0.8
747.36731	0.6
752.50616	0.5
782.40161	0.5
806.38959	0.6
834.38416	0.9
850.41949	1.2
878.41821	1.0
894.42230	2.5
922.42670	100.0
923.43146	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	922.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	1.4
85.02890	1.1
97.07326	1.1
130.06526	1.8
163.03940	3.7
165.10071	3.2
172.39081	1.3
189.10085	2.3
206.08238	1.8
222.12184	1.5
263.11652	2.1
275.50824	1.2
279.14337	1.2
288.13303	1.4
290.14923	2.1
296.13824	1.2
323.13989	4.6
350.14926	2.0
351.17776	1.7
372.23615	1.3
391.17435	2.2
393.18793	5.3
450.21158	1.8
494.23758	1.5
565.27838	1.3
662.31305	1.2
806.39368	2.7
832.41412	1.5
834.39532	2.2
850.41901	2.5
878.41266	3.5
885.39746	1.3
922.44275	100.0
923.44427	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	922.537
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78307	1.6
65.03927	5.1
67.05502	71.8
69.03425	5.2
69.07066	18.6
69.09027	10.4
71.04998	5.3
71.78274	1.3
73.02917	4.1
79.05043	3.3
79.05492	57.0
81.03413	98.9
81.07052	76.4
82.69753	1.4
83.04977	6.5
83.08617	28.6
85.02898	14.1
85.06541	4.5
91.03956	9.6
91.05474	42.8
93.06444	3.4
93.07038	66.8
95.04964	37.9
95.08605	54.6
97.02901	10.4
97.06535	7.7
97.10162	8.4
99.08105	2.2
105.04510	4.2
105.07024	36.7
107.04970	7.2
107.08591	36.5
109.06515	6.1
109.10156	25.4
111.08041	7.7
115.05505	3.0
117.07018	10.0
119.08577	32.2
121.06470	5.3
121.10140	28.0
123.04421	2.8
123.08052	3.6
123.11681	9.2
125.09634	5.3
127.03933	4.1
129.06993	10.1
131.08559	22.6
133.06488	3.9
133.10126	18.3
135.08060	4.5
135.11690	15.2
137.09639	2.9
137.13245	2.5
142.07802	3.8
143.08546	3.4
145.04955	4.4
145.10094	13.8
147.04427	1.7
147.08041	4.3
147.11691	16.0
149.09619	6.2
149.13263	9.7
153.12598	1.7
155.08630	2.5
157.10124	13.0
159.11717	9.1
161.13258	7.1
163.06039	5.5
163.11208	4.1
163.14854	3.2
165.12772	5.6
171.11720	2.6
173.11914	1.6
173.13290	6.5
175.11176	8.9
175.14749	3.3
183.11755	1.9
185.13272	3.0
187.14813	4.8
189.11217	5.3
189.16428	1.8
193.12221	28.1
205.12241	2.2
211.13342	2.0
227.12735	8.7
235.13283	2.1
243.21065	8.4
249.14885	1.9
259.13333	2.3
261.22110	21.1
267.15894	100.0
268.16348	2.4
279.22974	2.6
283.24176	1.5
285.22208	1.7
301.14087	2.0
301.25278	6.1
309.16937	6.0
317.24753	3.6
329.20935	1.7
333.24362	2.0
335.25784	90.5
336.26300	4.5
403.24762	2.0
421.25708	3.1
435.27249	3.1
435.32599	5.9
449.28867	1.6
452.68320	1.9
453.33597	11.2
471.34570	6.1
475.30017	2.1
509.36453	2.7
527.37262	76.3
528.37616	3.1
545.38336	79.3
546.38184	4.0
563.38818	5.5
569.38202	7.8
583.01471	2.0
621.77301	1.5
623.38477	2.6
635.39026	4.6
653.40228	3.1
671.40906	2.0
922.48358	26.8
923.45673	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	922.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05040	0.3
69.07071	0.9
70.06586	100.0
71.06921	0.4
72.08150	4.8
72.08524	0.4
74.06088	0.9
75.05577	0.3
84.04496	0.4
84.08143	0.3
86.09696	14.0
98.06080	0.5
98.09705	0.6
98.23518	0.4
104.05322	5.3
104.06025	0.3
108.28065	0.2
112.03958	1.4
114.09176	0.5
115.08687	0.8
116.07101	0.5
120.30371	0.2
124.11230	1.5
126.05507	0.6
126.09137	0.7
127.08659	4.6
137.07030	0.3
138.12759	3.0
140.14352	0.4
143.11803	2.0
153.10211	1.1
154.08635	0.3
154.15843	0.6
155.08145	6.4
155.11758	0.6
165.10239	1.0
167.11862	0.4
167.15472	0.5
169.13347	2.6
171.11272	6.4
172.11555	3.8
173.12840	0.8
179.11794	0.4
181.09708	16.7
181.13193	1.4
183.11395	0.9
183.14912	31.1
184.15256	0.4
193.09714	0.8
195.11295	0.4
195.14902	0.9
197.12785	1.4
197.16376	0.4
199.10768	3.8
201.10535	0.3
201.12303	0.3
209.12836	3.0
211.14398	27.6
212.14622	0.3
216.13564	0.5
217.13678	5.9
223.14339	1.0
225.15912	0.3
226.15559	0.4
227.12135	0.2
228.17033	2.4
237.19472	0.4
238.11787	1.3
239.17393	1.5
240.17055	1.1
245.13170	2.1
250.15410	0.4
251.21239	0.5
252.16969	0.5
255.11591	0.3
256.12909	0.4
256.20239	0.3
265.19098	0.3
267.17191	0.3
268.16541	4.6
270.18164	0.7
278.15152	0.3
280.16541	3.2
282.14386	0.5
285.19980	0.6
286.12103	0.4
294.18127	0.6
296.15958	0.3
297.16318	0.4
298.17548	1.6
302.15308	1.7
306.17981	1.2
308.19772	0.3
310.20999	0.3
312.13885	0.4
312.19263	0.3
322.21191	0.3
323.20715	1.6
324.17307	0.3
324.22647	0.3
336.22772	0.8
337.18597	0.6
342.18405	5.9
351.20117	0.7
353.25455	0.9
355.19678	0.6
359.21130	0.3
365.25946	0.3
367.23444	0.5
370.21729	0.5
371.21170	0.4
377.21323	0.2
381.24686	0.7
383.26511	0.3
387.24051	0.7
391.26974	0.6
393.24930	0.5
395.22760	0.7
399.20633	1.1
411.25992	0.3
415.23828	1.2
419.26468	0.5
422.27713	0.3
427.27319	1.6
436.29095	0.9
440.28705	0.6
450.27124	2.7
455.26810	4.7
464.28592	0.4
468.28012	2.1
480.31729	0.6
484.29352	1.2
490.30157	1.0
494.27594	0.3
508.31604	1.1
508.39087	0.3
512.28967	10.4
513.29034	0.7
549.36926	0.4
553.36951	0.4
563.35724	1.4
581.37195	1.1
597.37903	3.9
599.32123	0.3
607.35986	0.4
611.35394	0.6
621.33813	1.0
625.37341	17.6
626.37305	0.8
639.35449	1.8
661.81207	0.3
692.37714	0.5
694.39563	0.5
710.38751	0.4
712.40533	0.5
722.41626	0.7
724.43927	0.9
734.42993	1.2
752.43768	1.7
753.44415	0.4
765.42584	0.5
781.45508	1.0
791.44458	3.3
805.46326	1.2
809.45947	4.6
823.47156	1.2
876.52850	0.7
878.50629	0.4
894.54620	2.6
904.53040	4.8
905.52612	0.3
922.54144	4.3
932.30548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.433
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	1.5
69.03416	0.2
69.05805	0.2
69.07077	0.2
70.06587	100.0
71.06922	0.7
71.07268	0.1
71.42226	0.1
74.06071	2.0
78.63859	0.1
80.05014	0.2
82.02939	0.1
82.06568	0.8
83.07362	0.2
84.04495	2.7
84.05002	0.2
84.08140	1.3
85.04022	0.5
86.06078	0.2
86.09698	3.4
91.05470	1.7
93.07047	0.2
94.06572	0.2
96.08131	0.4
97.05267	0.2
97.07644	0.2
98.06047	14.1
99.06370	0.1
100.07633	0.3
101.07130	1.0
102.03760	0.7
102.05560	0.1
103.05481	0.4
105.07054	0.2
107.04941	1.8
108.08105	1.1
109.07629	0.1
110.06018	0.4
110.09709	0.2
111.05560	0.3
111.09204	0.2
112.03960	0.5
112.07628	0.4
113.07123	0.3
114.05524	0.2
115.08698	0.8
116.07094	0.5
118.06558	0.2
119.04942	1.3
119.07345	0.1
120.04812	0.7
120.08096	9.2
121.06538	0.3
121.08455	0.2
122.09707	0.1
123.05561	0.1
123.10462	0.4
124.07565	0.1
124.11227	0.5
125.07101	1.1
126.05505	10.0
126.09145	3.1
127.08662	3.3
128.07082	0.1
129.06590	0.2
130.03239	0.4
130.04964	0.2
130.06572	0.4
130.47362	0.1
131.04938	0.1
132.08101	0.9
134.06041	0.2
135.06781	1.0
135.09184	0.4
136.07564	16.1
137.07118	0.3
137.08037	0.2
137.10722	2.0
138.05521	0.2
138.12764	19.6
139.08667	0.2
139.13150	0.3
140.07001	0.1
141.06525	0.2
143.11809	0.6
144.08113	0.1
146.05962	0.7
146.09657	0.4
147.04398	0.5
148.04280	0.7
148.07564	1.4
149.10719	0.2
150.06642	0.1
151.08676	0.2
151.12285	1.0
152.07068	0.2
153.06613	0.3
153.10211	11.6
154.07336	0.3
154.10988	0.2
155.08150	3.5
155.11751	0.7
158.09644	1.2
159.07983	0.3
160.07567	0.5
160.11269	0.3
163.03915	0.2
163.08676	0.6
164.07097	0.5
164.09529	0.1
164.11864	0.3
165.06709	0.1
165.10223	2.1
165.12572	0.1
166.12277	0.2
167.08186	0.2
167.11784	5.7
168.07629	0.2
168.12540	0.2
170.09677	0.5
171.11334	0.5
172.07550	0.2
172.11195	3.7
174.05573	0.2
174.09120	1.2
175.08688	0.3
175.12376	0.2
176.03812	0.8
176.10698	1.0
176.13060	0.1
177.10182	1.5
178.11026	0.3
179.11829	0.5
180.07790	0.1
181.09703	13.6
182.10368	0.2
183.07758	0.1
183.11301	0.3
183.14934	0.2
184.07556	0.1
186.09154	0.7
187.08682	0.2
187.12309	0.2
188.10782	0.3
189.10344	0.1
191.08141	0.9
192.10088	1.2
193.09714	2.4
193.11981	0.8
194.12962	0.1
195.11278	6.7
196.07265	0.2
198.12393	0.9
199.08974	0.2
199.10870	0.4
200.07004	0.7
201.10339	0.1
202.08644	2.6
203.11781	1.1
204.10037	0.1
205.09727	0.9
209.09261	0.2
210.12343	0.2
211.14456	0.2
212.13957	1.2
214.08319	0.2
215.08247	0.4
215.11736	0.5
217.09941	1.1
217.13268	0.5
219.11279	3.9
219.18576	0.3
220.11276	0.2
221.12842	4.3
221.16489	0.3
224.13989	0.2
227.08447	0.4
229.09790	0.4
229.13312	1.0
230.08240	0.6
231.11307	1.9
232.11108	0.2
232.14410	0.5
233.12975	0.3
235.18048	0.2
237.12312	1.3
238.11900	1.6
243.11404	0.4
244.10793	0.2
245.09532	7.7
245.12714	0.4
245.16595	0.3
246.09769	0.2
247.10764	5.5
249.12296	2.0
249.16255	0.1
250.11957	0.2
250.15466	0.8
251.14021	0.2
251.16373	0.4
252.13367	0.9
252.16989	0.2
253.17050	0.2
255.14569	0.2
257.09418	0.4
257.13025	0.5
259.10809	0.6
259.14594	0.2
260.14038	0.6
261.12469	0.5
262.12061	0.5
263.17609	0.1
264.13367	0.5
265.11908	1.0
268.16724	0.2
269.16217	0.2
270.12543	0.2
271.10873	0.5
273.09198	0.2
273.15891	0.2
275.10355	0.4
275.13785	0.2
276.13611	0.2
278.14966	6.9
279.15515	0.2
282.14413	0.2
283.11124	1.4
283.14233	0.2
285.12415	0.3
286.11902	0.2
287.17587	0.2
288.13446	0.7
290.15009	0.9
295.11096	0.2
295.14413	0.3
295.17740	0.8
300.17142	0.2
302.11835	0.2
302.15115	0.5
304.12991	0.3
306.14661	1.2
311.10565	1.3
312.13541	0.3
314.15128	0.8
315.17206	0.1
316.13098	0.2
316.16486	1.5
316.19952	0.2
318.14673	0.3
318.18323	0.1
318.21860	0.4
320.16251	0.2
321.15762	0.2
324.13690	0.7
328.16632	0.4
330.14420	1.3
332.16272	0.1
334.17606	0.2
335.17102	0.6
339.17148	0.3
340.16495	0.2
342.14771	7.3
343.15274	0.3
344.15973	1.4
348.15433	0.5
349.15634	0.2
356.16168	0.3
357.19421	0.1
358.13876	0.2
359.17444	2.1
360.15961	0.1
361.18964	0.3
366.18289	0.4
367.16486	0.1
368.16370	0.2
373.18842	0.3
380.16321	0.9
385.18958	0.2
387.20157	0.9
390.14746	0.2
391.23367	0.1
394.14377	0.5
401.17877	0.2
401.22366	0.2
403.20135	0.1
408.15872	0.8
413.21857	2.4
415.23947	0.2
417.21503	0.4
424.19135	0.3
425.18155	0.2
427.19739	1.4
432.18936	0.1
439.19971	0.3
441.21265	1.9
441.26974	0.2
445.20966	0.3
449.22137	0.1
451.19843	0.2
455.26486	0.2
457.20746	0.2
458.24130	0.1
469.20999	0.2
470.23901	0.1
477.21613	2.7
481.27954	0.2
491.19580	0.4
497.24319	0.2
498.27719	0.3
505.21112	6.5
506.21698	0.2
509.20901	0.4
514.26685	0.5
516.28339	0.4
520.25824	0.1
522.24243	0.5
524.24994	1.1
534.23651	0.1
542.25989	0.9
548.25018	0.1
554.28802	0.1
562.23248	0.3
564.28033	0.3
566.26495	0.1
578.26605	0.5
582.30035	0.2
588.24738	1.9
606.25873	3.3
616.24469	0.2
617.30774	0.1
618.29669	0.2
623.28546	0.3
628.27252	0.1
634.32251	0.1
635.32153	0.1
643.32635	0.2
647.32257	0.1
649.29834	0.2
659.32172	0.3
661.33698	0.4
671.31567	0.1
675.32092	0.4
679.33527	0.1
689.32819	0.5
701.33301	0.3
709.31372	0.2
711.32092	0.2
713.28998	0.3
718.35168	0.2
719.34363	0.2
725.33386	0.6
728.34143	0.3
735.31708	0.6
746.34900	1.1
753.32629	1.9
754.33295	0.2
760.36786	0.4
762.38257	0.2
776.36371	0.2
782.35150	0.2
792.33582	1.1
797.40009	0.1
798.38727	0.2
808.36908	0.4
810.34717	3.1
811.35162	0.3
813.42212	0.2
815.41711	0.2
822.38623	0.2
826.38458	0.7
831.43915	5.1
832.43896	0.3
841.42401	1.2
859.43390	11.3
860.43427	1.1
861.39746	0.5
877.42548	0.4
879.40894	0.7
887.41364	0.2
895.43707	12.3
896.44312	0.9
905.42157	4.5
906.42096	0.3
923.43237	27.2
924.43555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83057	1.0
69.57083	3.9
70.06570	2.4
97.99198	1.0
122.71796	1.2
133.51605	1.2
136.83206	1.0
154.01781	1.1
156.38113	1.0
163.03857	1.3
171.04329	1.5
174.04289	1.3
181.02847	1.4
197.06000	1.5
199.03862	2.6
200.05798	1.2
203.11160	1.1
206.04906	1.2
209.06041	1.3
213.05418	1.4
215.07080	2.2
221.06001	1.2
228.06476	2.0
239.83757	1.3
242.08214	1.2
267.10175	1.3
280.69836	1.1
284.12997	1.2
296.12735	2.8
310.14160	1.4
330.11023	2.1
338.13950	1.4
357.12424	2.6
420.19070	2.5
425.18527	2.2
504.28845	1.5
526.26367	1.5
692.33490	1.4
706.35303	3.1
773.38910	1.3
833.42230	100.0
834.42603	6.9
847.47144	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	924.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.7
71.01324	0.7
71.04987	2.1
71.43819	0.3
73.02907	4.7
79.05479	0.3
81.03361	0.5
83.04976	1.8
85.02415	0.3
85.02896	5.3
87.04443	0.4
89.03904	1.6
97.02874	4.5
99.04403	0.4
103.38637	0.2
107.04919	0.6
109.02787	0.3
109.03987	0.3
111.04373	1.1
115.03864	0.7
117.03385	2.2
127.03845	0.5
129.05421	1.1
132.08037	0.5
133.04929	0.6
135.04402	4.2
137.05923	0.4
139.03905	0.2
145.02832	6.2
147.06477	0.3
149.56300	0.3
163.03886	29.1
173.07089	0.5
174.05458	0.9
174.07809	0.3
177.05444	3.4
181.04900	0.7
184.06293	0.3
185.07033	0.6
186.07878	2.9
187.06967	0.3
187.08644	5.5
199.08679	2.6
200.09450	3.2
203.08099	0.8
204.08870	0.7
205.09700	4.9
213.10202	0.7
214.11038	0.5
217.09708	10.7
218.10519	2.1
231.07597	1.1
231.10022	3.4
232.08429	0.3
245.09126	2.7
249.08656	7.5
249.11098	2.2
253.20132	0.3
258.12405	1.3
259.10620	0.6
263.10233	51.2
264.10626	1.1
273.08807	0.3
276.13324	0.9
277.11746	2.3
291.09720	6.6
304.12836	0.7
305.11288	40.5
306.11551	0.8
307.08118	0.6
308.12366	11.8
309.12527	0.5
322.13934	100.0
323.14264	2.2
325.09167	6.5
339.10699	1.2
390.63345	0.3
448.17014	0.4
451.16763	0.3
454.17850	0.2
468.19479	0.9
484.19009	1.5
485.17245	0.3
622.34216	0.3
646.22351	11.4
647.22491	0.7
927.50519	0.3
952.63037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	92.1
74.06043	3.1
76.71871	2.9
81.12452	3.1
86.09675	6.7
96.56657	3.5
98.06049	18.5
104.05370	16.4
107.04893	3.2
120.08115	12.6
124.33807	2.9
126.05519	13.6
127.08683	5.0
136.07585	16.3
138.12770	23.3
153.10217	26.6
155.08138	3.2
167.11789	4.0
172.11194	5.2
195.11227	8.9
201.10587	12.9
213.10675	3.3
216.73479	3.3
221.12822	6.6
227.32472	3.3
229.10059	12.1
245.13068	3.3
326.15320	13.4
371.24765	3.2
435.39777	3.3
459.70584	3.5
489.21429	11.0
536.13617	3.3
776.32831	5.2
794.35638	5.3
879.44342	23.4
889.42218	10.0
906.83551	3.4
907.43561	67.3
908.43768	7.8
924.42804	100.0
925.42041	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	924.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	20.6
69.07060	13.7
69.24453	6.6
71.08154	0.9
79.05476	7.3
81.07059	22.7
83.08598	5.7
91.05473	3.9
93.07042	6.4
95.08602	18.6
97.06520	1.4
97.10156	2.5
98.06002	1.6
98.22657	2.0
98.98459	6.6
105.07059	2.9
107.08585	4.6
109.10124	7.5
119.08565	3.5
121.10135	4.4
123.11699	4.2
133.10124	2.4
135.11656	3.1
147.11655	2.3
149.13225	1.9
155.01035	3.3
161.13170	1.4
170.23859	1.0
173.02100	1.4
179.75255	1.1
184.57106	1.0
198.05209	1.7
213.01060	1.1
216.06282	3.8
245.22461	1.8
263.23767	6.6
306.27991	12.4
325.05823	1.1
335.25607	1.3
337.27344	100.0
338.27643	4.1
417.23911	3.4
460.21576	1.7
460.28159	34.1
461.28641	1.9
478.29257	40.0
479.29263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05027	0.6
70.06586	100.0
70.52447	0.5
71.06934	0.6
72.08150	42.3
74.36380	0.6
78.45818	0.6
78.46295	0.6
83.06100	0.9
84.04508	5.7
86.09706	8.7
91.05489	1.3
98.05399	1.2
98.06046	24.4
101.07134	4.8
119.04952	0.7
126.05502	18.4
129.06589	1.6
136.07567	28.0
138.12761	11.6
138.13699	0.9
147.04404	1.6
151.12274	1.0
153.10301	0.8
154.15927	0.9
165.10312	0.7
165.22722	0.6
167.11772	8.6
169.13350	41.8
170.13716	0.9
181.09705	7.5
183.14902	0.7
188.10727	0.9
193.12112	0.8
195.11284	15.4
196.14539	1.9
197.12828	25.2
197.14587	1.3
199.18138	0.7
208.10869	1.7
209.09206	1.1
211.14394	1.3
214.15485	3.7
224.13911	0.9
225.12424	0.7
227.17543	0.8
227.77020	0.6
229.91374	0.9
233.12943	0.9
235.14374	4.4
242.15091	1.8
248.17537	0.9
258.82904	0.6
263.14038	1.9
266.18652	3.2
275.10330	2.1
292.12891	10.0
293.19794	1.1
294.18100	21.8
306.14560	1.5
308.16144	0.6
311.01947	0.6
311.21027	0.9
332.19766	1.5
355.23413	2.4
360.19168	6.0
377.21826	4.8
391.20062	0.7
405.21472	2.3
407.26654	1.2
429.25058	7.3
430.25476	0.9
457.24387	17.8
460.25568	1.0
474.27109	6.8
488.24817	3.6
518.29462	4.0
557.30835	2.3
568.27917	0.9
570.32623	1.0
585.30286	14.0
601.33374	1.5
603.39404	1.0
631.37964	4.0
670.39355	3.8
681.35559	1.0
698.38580	15.8
698.50085	1.2
699.38837	1.5
714.42419	1.0
783.47052	3.3
794.44934	1.1
811.46985	41.6
812.48047	3.6
896.55664	4.8
907.50977	0.9
924.55408	43.4
925.56470	3.8
957.29834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05000	0.2
69.28677	1.1
70.06571	0.3
72.05649	0.8
72.08147	21.5
73.06507	0.2
76.74678	0.2
77.20895	0.1
79.05463	0.9
81.03407	0.3
81.07040	0.7
84.91696	0.1
85.02892	0.4
87.96772	0.2
95.04965	0.3
96.05772	0.3
97.07642	13.1
107.04884	0.2
109.02886	0.3
109.06485	0.7
111.08081	0.2
114.10278	24.0
115.10610	0.2
122.03642	0.7
124.05169	0.9
127.03899	0.2
128.04718	0.2
137.05934	0.4
139.07527	2.3
145.02950	0.2
147.04448	0.2
152.04659	2.8
154.06223	0.8
156.04114	0.2
163.03896	0.5
167.07014	1.7
169.08585	0.6
178.77362	0.1
180.04091	0.2
185.08098	0.8
189.33882	0.2
194.08151	0.6
195.06502	70.4
196.06773	1.0
204.72455	0.2
210.14848	0.2
212.09119	0.4
267.12347	0.2
279.93033	0.2
309.14331	0.6
326.17050	100.0
327.17328	2.3
502.27084	0.1
599.39734	0.3
741.00598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77876	0.3
69.03432	4.7
71.01334	1.6
71.04992	5.6
73.02917	13.2
75.04480	0.3
77.24389	0.2
79.05489	0.4
81.03423	1.3
83.04977	5.0
85.02904	13.4
87.04467	0.6
89.03916	3.2
91.05490	0.5
95.04955	0.8
97.02894	7.9
98.23476	0.8
99.04469	1.1
103.03978	0.5
103.05467	0.4
105.98702	0.2
106.06568	0.3
107.04956	1.2
109.02866	0.4
111.04440	2.6
115.03929	2.8
115.05408	0.4
117.03365	3.5
118.06493	0.5
119.04932	0.3
120.02649	0.2
124.07550	0.3
127.03927	1.0
127.96918	0.2
129.05482	2.0
130.06528	26.8
131.06039	1.1
132.04413	0.3
133.04993	1.5
134.06073	0.2
135.04410	8.5
139.03931	0.6
142.06528	0.9
143.03374	0.3
144.04443	0.8
145.02844	6.9
145.05208	0.8
146.05991	1.9
147.06516	0.9
148.07549	0.4
151.07590	0.3
152.07103	0.4
155.06030	0.7
156.06799	0.4
158.06032	0.4
160.03920	0.5
160.07539	0.5
161.05864	0.3
162.05479	0.4
163.03899	61.6
164.04292	0.4
164.07095	0.3
166.08681	0.3
174.05501	3.3
175.06285	3.8
175.07704	0.2
176.07062	7.4
178.08611	0.6
181.04973	1.3
182.08177	0.8
188.07083	2.3
190.08612	0.6
194.08156	0.8
195.09241	0.3
201.96510	0.3
206.08127	22.7
207.08792	0.9
218.09618	0.7
219.09166	0.8
220.09785	0.6
221.10797	0.5
225.07622	0.5
229.18100	0.3
230.08163	0.5
231.09160	0.3
233.10826	0.8
234.11443	0.5
235.08713	1.0
243.08923	0.5
244.09882	0.4
245.08606	0.4
245.10698	1.6
246.09291	0.3
246.11549	0.4
247.08759	0.7
248.09302	1.2
249.10333	1.1
255.09058	0.3
259.08682	0.5
260.09503	0.3
260.10599	0.3
261.10150	1.9
262.10938	1.4
263.08365	1.3
263.11774	1.5
272.09384	0.5
273.07806	0.4
273.10275	2.5
273.43765	0.2
274.10989	3.8
275.08203	2.6
275.11795	1.0
276.10132	0.4
276.12720	0.3
277.09741	1.9
277.13364	0.8
278.10327	4.0
279.11252	0.6
287.11853	0.5
288.09967	0.4
289.09644	3.7
290.10480	7.9
291.11267	2.6
292.12256	1.3
293.12881	0.3
294.11255	3.4
295.11343	0.4
295.14487	1.0
296.12781	0.9
303.11438	0.3
304.11880	0.4
305.12842	14.7
306.11002	0.6
307.08072	0.6
307.11148	0.3
317.12778	0.3
321.12357	1.1
322.13071	1.5
323.13892	100.0
324.14185	2.9
325.09158	10.3
326.09326	0.3
335.13873	0.6
347.13995	0.3
364.14059	0.3
365.15094	1.0
428.43420	0.2
449.17426	0.3
451.18973	0.3
455.18085	0.8
469.19833	1.7
485.19009	1.2
517.47211	0.3
530.16577	3.3
539.05505	0.3
601.24225	0.7
629.21179	0.4
646.21271	0.5
647.22278	27.0
648.22827	1.3
689.23364	0.6
779.25806	0.3
792.26587	0.3
793.27808	2.3
794.28137	0.3
821.26941	0.4
925.31604	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	0.8
69.95042	0.7
70.06587	100.0
71.06937	0.3
74.06065	1.7
84.04492	0.6
89.75633	0.3
91.05469	1.4
96.08121	0.5
98.06051	0.9
100.03924	0.4
103.05458	1.1
115.08690	0.7
116.07081	0.6
119.04921	0.9
120.08095	30.9
125.07160	0.7
126.05507	0.3
126.09140	4.1
127.08659	0.8
130.05006	0.9
130.08650	0.5
132.08063	0.5
136.07564	10.6
137.10739	0.3
141.10216	17.2
146.09650	0.7
148.07562	0.5
153.10199	2.2
155.08173	1.1
169.09714	14.5
171.11275	3.2
172.11250	0.9
176.10652	0.5
181.09700	3.4
184.97623	0.3
186.09166	1.0
186.12364	0.7
188.10744	0.7
191.11861	1.3
192.10245	0.4
195.11369	0.7
197.12944	0.4
199.10768	3.1
202.08615	0.7
206.12907	0.7
208.10741	0.5
209.09213	1.3
217.13341	18.2
219.11316	0.7
221.12897	0.8
227.10117	0.4
229.13405	1.1
231.11363	0.7
237.12282	0.5
243.15166	0.5
245.12865	10.1
247.10817	0.8
249.12396	1.1
252.13385	0.8
257.12857	0.5
262.15546	0.5
265.11850	1.2
270.14529	1.5
271.14194	0.5
273.15979	0.4
283.14444	1.7
284.13971	0.7
288.17078	0.4
302.15091	1.0
310.15442	0.4
311.13885	0.5
316.16553	3.3
328.16614	1.2
332.15652	0.3
346.17603	1.9
372.19241	0.7
373.18689	0.5
389.21930	1.1
394.17725	0.4
399.20224	3.0
408.19147	3.6
412.18698	0.7
417.21326	5.7
464.21939	0.7
465.21329	0.4
473.23593	0.7
481.24442	1.3
491.22845	4.0
496.12708	0.4
497.41455	0.3
500.25201	1.3
509.23944	7.0
518.26135	1.5
555.24756	0.4
562.26703	0.6
565.26563	0.7
574.26978	0.7
580.27612	0.4
592.27563	1.3
606.29077	0.3
610.28534	1.1
636.30157	0.7
643.32227	0.6
649.33868	0.4
659.31177	0.5
663.31860	0.6
677.32556	1.1
739.34479	0.6
757.35101	0.4
762.37811	0.5
778.37933	0.9
780.36469	0.5
796.39313	0.7
806.38666	1.6
824.40167	1.9
853.41364	0.3
863.40436	0.8
881.42651	1.2
889.42206	1.3
897.44263	1.3
907.43298	6.4
908.43054	0.4
925.44409	4.6
926.44397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.9
69.03435	3.1
70.06594	0.7
71.05005	0.7
73.02923	4.0
79.05494	2.2
81.03423	2.1
81.07054	2.8
85.02900	6.8
91.03952	3.6
91.05444	1.3
93.07039	2.5
95.08626	2.6
95.74816	0.6
97.02892	5.7
99.04445	1.1
101.02380	1.5
103.94812	0.5
107.08611	1.7
109.02895	1.2
109.10147	0.9
115.03966	0.9
117.07070	0.6
121.10133	1.1
127.03953	1.6
131.08575	0.8
135.11726	1.1
146.34779	0.7
185.04272	1.2
237.59204	0.7
243.08490	1.4
267.12305	0.9
281.23538	0.6
335.26022	1.2
347.09662	2.2
365.10593	0.8
405.13724	5.1
441.17554	2.1
467.18848	1.4
485.20050	2.1
519.29352	5.9
603.22894	1.7
647.25183	1.4
673.03510	0.7
681.34656	6.5
726.11401	0.7
763.42004	1.2
881.44922	1.1
887.33820	0.7
907.46674	1.9
925.47449	100.0
926.47778	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	925.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.9
69.03435	3.1
70.06594	0.7
71.05005	0.7
73.02923	4.0
79.05494	2.2
81.03423	2.1
81.07054	2.8
85.02900	6.8
91.03952	3.6
91.05444	1.3
93.07039	2.5
95.08626	2.6
95.74816	0.6
97.02892	5.7
99.04445	1.1
101.02380	1.5
103.94812	0.5
107.08611	1.7
109.02895	1.2
109.10147	0.9
115.03966	0.9
117.07070	0.6
121.10133	1.1
127.03953	1.6
131.08575	0.8
135.11726	1.1
146.34779	0.7
185.04272	1.2
237.59204	0.7
243.08490	1.4
267.12305	0.9
281.23538	0.6
335.26022	1.2
347.09662	2.2
365.10593	0.8
405.13724	5.1
441.17554	2.1
467.18848	1.4
485.20050	2.1
519.29352	5.9
603.22894	1.7
647.25183	1.4
673.03510	0.7
681.34656	6.5
726.11401	0.7
763.42004	1.2
881.44922	1.1
887.33820	0.7
907.46674	1.9
925.47449	100.0
926.47778	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	925.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.3
67.05496	2.6
69.03426	2.9
69.07059	0.4
69.33302	1.0
71.01353	0.4
71.04984	1.8
73.02912	2.8
79.05489	1.4
81.03397	1.5
81.07043	3.1
83.08606	0.4
85.02898	4.7
85.06573	0.3
87.04470	0.6
90.28959	0.2
91.03948	2.9
91.05469	1.5
93.07043	2.0
95.04968	0.5
95.08602	1.2
97.02885	5.3
99.04467	0.9
101.02377	1.5
105.07054	0.7
107.08572	1.1
109.02872	0.6
109.10178	0.7
114.77350	0.2
115.03986	0.4
117.06976	0.3
119.08611	0.3
121.10163	0.7
123.11734	0.8
127.03899	1.6
131.08580	0.4
133.09315	0.2
133.10081	1.1
135.11714	0.5
140.93130	0.2
145.04988	0.3
145.10094	0.3
149.13263	0.4
151.11197	0.4
159.11765	0.3
185.04219	1.0
187.13379	0.4
195.13937	0.3
203.05325	0.7
213.57935	0.2
215.81529	0.2
243.08369	1.7
257.17575	0.2
259.08157	0.2
267.15793	0.9
335.70041	0.2
347.09399	2.4
363.08972	0.6
365.10468	1.2
405.13617	5.9
405.18689	0.4
441.20840	0.3
450.75665	0.2
453.20755	0.5
485.23578	5.5
518.64886	0.2
519.29260	3.9
603.26202	0.4
615.26422	0.4
647.28815	5.5
681.34564	4.0
763.45746	1.2
803.29437	0.2
925.51196	100.0
926.51465	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	925.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
67.05499	19.1
68.02682	0.3
69.07065	16.9
69.41125	0.9
69.41517	0.7
71.04967	0.6
71.08614	0.8
79.05488	7.0
81.07050	26.1
83.04972	0.7
83.08612	8.4
85.06525	0.7
91.05463	3.8
93.07043	5.8
95.04954	0.7
95.08599	21.7
96.08931	0.4
97.06517	1.6
97.10160	3.6
99.08052	0.4
105.07013	3.0
107.08585	4.6
109.10153	7.2
111.01885	0.3
111.08071	0.7
111.11706	1.0
113.00008	31.4
119.08558	2.6
121.10146	3.2
123.08102	0.4
123.11697	2.9
125.09655	0.7
133.10132	1.9
135.11656	1.7
137.09648	0.5
137.13275	1.8
139.11162	0.6
141.77119	0.3
143.85941	0.3
147.11763	1.7
149.13249	1.1
151.14835	0.5
161.13228	1.0
163.14815	0.7
165.12634	0.3
165.16258	0.4
169.02599	21.7
175.14894	0.8
177.16292	0.5
187.03600	1.9
189.16365	0.6
199.52756	0.3
222.06494	0.4
259.24261	1.4
277.25281	3.4
333.27798	0.5
351.28906	100.0
352.29230	2.7
368.00851	0.4
463.22110	0.4
501.23520	0.8
570.68329	0.4
717.26813	0.4
748.20099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.6
67.05499	19.6
68.05800	0.2
69.03407	0.3
69.07062	16.9
71.04985	0.5
71.08616	0.9
75.04477	0.3
79.05482	7.2
81.07049	27.9
82.07381	0.2
83.04980	0.6
83.08614	7.6
85.06534	0.8
85.10174	0.2
91.05466	4.6
93.07035	6.4
95.04978	0.9
95.08597	22.9
96.08951	0.3
97.06530	1.7
97.10162	3.6
99.08082	0.6
105.04491	0.2
105.07027	3.5
107.08588	3.8
109.06538	0.3
109.10143	8.5
111.08073	0.8
111.11700	0.7
113.00004	36.0
113.09608	0.2
119.08568	2.7
121.09285	0.2
121.10138	3.4
123.08041	0.3
123.11697	3.1
125.09605	0.6
131.01051	0.2
133.10107	2.5
135.11673	1.7
137.09592	0.4
137.13254	1.5
139.11127	0.3
147.11671	2.0
149.13231	1.1
150.95522	0.3
151.14777	0.8
153.12773	0.2
154.02661	0.2
161.13242	1.0
163.14809	0.6
165.12694	0.2
165.16388	0.3
167.14278	0.2
169.02597	21.5
175.14732	0.8
177.16357	0.3
179.17928	0.3
187.03642	3.0
189.16313	0.2
191.17920	0.2
193.19623	0.2
203.17847	0.2
207.17268	0.2
259.24200	1.4
277.25256	3.7
300.92673	0.2
333.27875	0.5
334.99783	0.2
351.28888	100.0
352.29175	2.2
445.26797	0.5
463.22098	0.3
501.23468	1.1
512.68567	0.2
627.53473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.27
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.9
69.23354	2.2
71.01354	0.5
71.04987	4.7
72.08157	0.5
73.02913	4.8
74.01537	0.4
75.04469	0.5
81.03411	0.7
83.04970	1.7
85.02405	0.5
85.02899	8.5
87.04485	0.6
89.03908	3.7
97.02886	6.7
98.22713	0.8
99.04454	0.6
103.03950	0.6
109.02909	0.6
111.04436	0.7
114.10261	0.5
115.03892	0.9
117.03370	10.8
121.06499	0.4
127.03890	1.0
129.05447	1.3
133.04958	0.5
134.03638	0.5
134.06009	1.6
135.04462	0.8
137.05951	0.3
145.02841	36.3
146.03171	0.5
146.05971	0.5
147.06494	0.9
149.05969	4.1
150.03723	1.7
151.51915	0.4
157.05089	0.3
163.03856	1.5
164.01639	0.9
175.06229	1.4
177.02345	2.2
177.05458	86.4
178.03206	26.8
178.05795	1.2
186.05498	0.4
190.03197	15.7
192.04817	0.8
195.06512	3.8
208.04259	77.8
209.04849	2.3
210.05850	2.8
236.03758	2.6
254.04822	7.1
265.06403	5.2
291.08649	0.4
293.05829	0.8
309.09680	1.0
309.46292	0.4
311.06927	100.0
312.07095	2.1
321.09744	1.2
323.11230	0.7
326.17108	2.6
339.10715	18.6
365.08298	0.4
443.11032	0.8
444.53235	0.3
457.12643	1.3
562.10083	0.4
747.83673	0.4
906.85919	0.4
927.48907	0.6
927.66028	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	927.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75571	0.5
67.05420	1.6
67.05726	0.5
69.03325	4.1
71.04913	0.8
73.02831	0.6
79.05405	0.7
81.03320	1.7
81.06974	0.8
85.02789	11.2
85.03336	1.7
91.05360	6.0
93.06925	5.3
94.06545	2.9
95.04850	2.9
95.08524	0.9
96.04380	0.7
97.02763	3.7
98.91739	0.5
99.04378	0.8
105.04434	0.9
106.06442	0.8
108.07983	2.4
109.02802	1.3
110.06015	2.6
111.08067	4.8
115.14790	0.5
116.19858	0.7
117.03249	0.6
117.06947	1.0
120.08002	1.3
121.06361	1.7
122.06033	4.1
122.09521	0.7
124.07454	0.8
127.03789	2.3
132.08025	1.2
134.09636	5.7
135.06775	0.8
135.07895	1.9
136.07564	6.3
137.05840	1.6
138.09100	0.7
139.07414	1.8
140.03285	1.1
140.06937	1.2
144.07903	0.8
145.04834	0.5
146.09525	1.0
147.06671	1.0
148.07419	2.4
149.05859	0.5
150.09006	1.9
152.07034	0.6
152.10570	1.9
154.04840	1.3
158.09627	0.8
160.07411	1.6
162.09126	27.4
163.03831	0.9
163.07434	1.1
163.09729	0.8
164.78461	0.6
166.08537	1.7
168.08080	0.5
170.09544	0.6
171.09070	1.0
173.10638	1.5
174.09009	1.9
175.08563	1.0
178.08528	1.3
180.10172	20.0
181.04868	1.4
184.07512	0.7
185.10599	0.7
187.08524	2.3
187.12224	0.7
188.06998	0.6
188.09406	0.6
189.10092	1.1
190.07060	0.9
190.08604	14.9
192.10052	2.3
197.10747	0.5
198.09077	1.3
199.08658	2.8
199.10120	0.5
199.12167	0.8
200.10724	0.9
201.06487	1.1
201.10233	9.0
202.08534	1.0
206.08083	0.8
208.09665	66.1
209.09990	1.1
211.08467	0.5
212.09274	1.0
213.06349	1.3
213.10182	3.0
214.07014	0.6
214.10905	0.8
215.08174	6.6
215.11780	2.8
216.08821	4.2
216.12312	0.5
223.12056	0.6
225.10182	2.6
226.08632	0.7
227.08141	9.7
227.11649	2.2
228.08517	0.7
229.07614	0.7
229.09676	9.0
231.11182	1.1
233.09193	0.8
233.12756	0.7
237.10168	1.4
239.11639	1.3
240.08833	0.8
241.09694	4.9
241.13158	0.9
242.10323	0.9
243.11223	7.7
244.11763	1.6
245.09145	0.5
245.12784	1.3
247.10629	2.3
251.08127	1.2
251.11569	1.1
253.09685	2.9
254.10524	0.7
255.11224	1.7
259.10733	5.8
261.09955	0.7
261.12335	8.2
263.13889	1.2
265.09451	1.3
265.13226	0.9
267.11227	2.9
269.09076	4.1
269.12241	0.9
271.10791	4.7
275.10071	0.7
279.11218	1.1
281.09091	1.0
282.09628	2.1
283.10641	1.4
285.12329	3.0
286.12613	0.8
287.10147	3.5
287.13293	1.0
288.10867	1.4
289.11823	15.3
293.09058	0.9
293.12436	0.7
295.10580	2.1
297.12357	1.0
299.10260	0.7
301.11923	0.7
306.11938	0.8
307.12704	1.8
309.12006	1.0
311.10196	1.9
311.13870	1.5
313.11646	2.3
315.13266	1.5
321.14288	1.5
323.10049	0.7
325.11758	0.7
339.13745	0.7
341.11511	0.9
343.13177	0.8
359.12323	1.5
361.13803	0.8
362.14810	0.9
370.15103	3.9
375.11777	7.3
377.13269	2.3
385.10135	1.6
386.10803	0.9
387.11728	1.4
388.16489	0.7
396.88071	0.6
401.13785	0.6
403.11212	8.0
403.15979	0.6
404.11478	0.7
405.12802	11.6
410.17075	0.7
420.14737	0.7
429.12796	1.7
432.19061	1.6
435.14014	10.4
437.15585	11.1
457.12442	0.9
460.18719	0.7
461.15701	0.8
463.17123	1.1
471.13589	0.9
478.19458	1.0
487.13354	1.1
489.14993	2.0
492.20667	1.0
526.18213	6.8
540.18829	0.7
548.20099	0.6
558.20752	100.0
559.21088	4.6
584.22504	0.8
594.20599	1.1
608.22278	1.9
610.20282	0.8
612.21814	0.9
626.23303	1.1
715.26129	1.8
733.27094	3.7
747.28687	5.5
765.29578	12.8
766.30127	0.6
787.25085	0.8
788.29407	0.8
895.31781	1.6
909.34723	3.1
927.34973	21.3
928.34595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.2
69.03431	2.7
69.06516	1.7
69.07072	0.9
71.01360	0.6
71.05000	0.7
73.02921	3.7
77.29597	0.2
79.05499	2.1
81.03414	2.3
81.07059	2.2
83.04988	0.4
83.08631	0.3
84.02124	0.3
85.02901	5.1
85.17142	0.2
87.04485	0.3
91.03961	3.5
91.05478	1.4
93.07040	2.3
95.04985	0.5
95.08620	1.7
97.02892	4.8
97.06522	0.3
99.04482	0.9
101.02399	1.6
105.07059	0.8
107.08614	1.1
109.02939	0.8
109.10180	0.6
115.03939	0.3
119.08620	0.7
119.70677	0.3
121.10135	1.6
127.03926	1.6
129.07045	0.5
131.08618	0.7
133.10173	0.7
135.11725	0.4
139.11183	0.4
145.04976	0.3
149.09689	0.3
161.13289	0.3
185.04230	0.6
193.12352	0.5
203.05318	0.7
225.10989	0.3
243.08411	1.7
269.13800	0.8
335.25717	0.6
347.09512	2.9
363.09183	0.9
365.10614	1.5
405.13678	5.5
443.18921	3.4
469.20859	0.8
487.21552	1.8
502.89725	0.3
519.29303	5.9
605.24121	3.5
631.26495	0.5
633.43378	0.3
649.26904	2.7
681.34558	7.3
721.41595	0.9
765.43958	0.7
883.46698	0.9
909.48340	0.6
927.49164	100.0
928.49481	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	928.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	2.3
68.99796	0.3
69.03423	4.9
69.07069	3.8
69.13735	1.1
69.14147	0.7
71.05016	0.7
73.02937	1.0
79.05480	3.0
81.03420	3.4
81.06564	0.6
81.07051	13.9
83.08633	1.2
85.02897	13.9
85.03411	0.7
87.00819	5.4
87.04501	0.6
91.03934	0.5
91.05462	2.0
93.07031	3.2
95.05005	0.7
95.08596	8.2
97.02883	6.2
97.10168	2.0
99.03900	0.3
99.04417	1.6
105.01155	0.6
105.01855	10.4
105.04513	0.4
105.07012	5.0
107.08580	4.8
109.02859	3.8
109.06580	0.3
109.10143	7.7
109.10876	0.4
111.04401	0.4
111.11694	1.8
115.03938	0.4
117.07029	0.5
119.08568	8.3
121.10149	4.3
122.06004	0.7
123.11686	2.7
127.03904	10.9
131.08539	2.1
133.10133	5.9
135.11684	2.8
136.07587	0.5
137.13290	0.8
139.11177	0.3
140.07117	0.4
141.70277	0.3
142.07945	0.3
143.08568	0.5
145.03000	0.4
145.04945	6.5
145.10078	3.3
146.06068	0.4
147.11674	13.3
149.13252	4.7
157.10159	0.5
159.02910	0.9
159.11670	5.9
161.13246	11.5
162.09262	0.3
163.03960	1.1
163.06020	1.9
163.14777	2.5
165.12814	1.3
167.10760	0.3
173.13239	5.9
175.14804	10.0
176.15222	0.4
177.05544	0.6
177.16460	1.3
179.10664	0.4
180.10271	0.3
181.12463	0.4
185.13300	0.6
187.14810	4.3
189.04001	0.4
189.12959	0.3
189.16342	0.7
193.12213	11.0
193.15930	0.7
201.16347	4.6
203.14247	0.3
205.12236	1.8
207.13785	7.3
208.09627	1.4
209.10027	0.3
211.08727	0.4
212.09229	0.3
213.03923	1.4
215.17856	1.4
219.13806	2.1
221.15353	9.0
221.17413	0.5
225.10228	0.5
227.08234	0.9
227.18137	0.3
228.08484	0.4
231.04935	5.1
231.06982	0.4
233.15372	1.6
239.08296	0.4
247.17038	1.1
249.06056	6.2
249.10266	0.7
250.10866	0.5
257.22623	28.2
258.22995	0.7
261.18427	0.4
263.11810	1.2
264.12317	0.4
265.09879	0.4
265.13367	0.6
267.07910	0.5
267.11340	0.5
267.21103	0.6
269.09177	0.4
275.23782	1.1
277.09802	0.3
278.10049	0.3
285.22067	2.5
291.11224	0.5
291.23282	0.5
295.10873	1.1
296.11255	0.7
303.23166	36.2
304.23596	0.9
309.12363	0.8
310.12604	0.5
313.12405	0.3
314.12347	0.5
320.11240	0.3
321.24557	0.3
323.10342	0.3
325.11322	1.6
337.11899	0.5
338.12674	0.4
355.13220	0.3
357.08267	0.6
358.55771	0.3
370.15125	0.4
371.15869	0.5
375.09494	0.9
382.16397	0.3
388.26059	0.3
393.10077	1.5
399.15475	0.3
401.26938	0.3
411.11487	0.5
417.16064	0.4
419.28162	1.0
426.13760	0.5
427.14999	0.3
447.27783	0.9
453.13031	0.9
454.13013	1.6
455.14264	0.4
457.12692	0.5
457.22375	0.3
458.12103	0.3
458.48526	0.3
459.17764	0.4
461.18695	0.3
472.31503	1.5
472.81970	1.7
473.31754	0.4
485.15634	0.4
486.16245	0.3
505.27960	1.3
515.25769	0.3
533.27814	0.9
558.21021	0.9
559.21057	1.9
565.19800	0.5
575.18634	0.6
593.19952	1.2
594.20386	0.7
595.21429	1.1
597.18359	0.3
607.21350	0.9
608.22839	0.5
609.13263	0.3
609.22693	0.6
626.23785	1.0
630.46545	0.3
698.25854	0.5
716.26654	1.2
733.26343	0.4
734.27618	0.7
755.24811	0.6
756.25476	1.1
757.26050	0.5
766.29755	0.8
878.31525	0.8
909.64539	0.6
910.64587	0.5
927.66040	100.0
928.66345	92.4
929.67145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.5
67.05503	5.1
69.03421	8.8
69.03754	0.7
69.07063	7.3
70.06589	0.7
71.01356	0.6
71.04980	0.9
71.44379	0.6
73.02917	1.1
77.03902	0.5
79.05486	5.8
81.03412	5.7
81.07047	26.2
83.04975	0.7
83.08627	1.6
83.84545	0.4
85.02894	26.9
87.00820	8.5
87.01320	0.7
91.03984	0.8
91.05468	3.7
93.07036	6.8
93.07581	0.4
95.04984	1.0
95.08592	16.7
97.02881	9.9
97.10157	3.0
99.04447	2.2
105.01859	18.5
105.07017	8.1
107.08584	9.5
107.09241	0.7
109.02866	8.1
109.03551	0.7
109.06512	0.6
109.10149	14.4
109.10883	1.0
111.04456	0.6
111.11709	2.7
113.09681	0.5
117.07037	1.4
119.08559	14.8
121.10132	7.0
122.06035	1.1
123.08070	0.6
123.11706	3.9
126.91494	0.5
127.03896	19.0
129.01854	0.8
131.08565	3.7
133.10109	12.3
135.11668	5.7
135.12605	0.4
136.07581	0.8
137.09659	0.5
137.13252	1.0
143.08546	1.0
145.02824	0.8
145.04947	9.4
145.10100	6.2
147.02872	0.4
147.04446	0.5
147.11671	21.7
148.12025	0.7
149.13232	7.9
149.14279	0.6
151.11200	1.0
155.08495	0.4
157.10112	0.9
159.02928	1.1
159.08165	0.5
159.11682	10.3
160.24280	0.5
161.13235	19.9
162.09177	1.0
162.64755	0.4
163.03946	2.0
163.05998	2.7
163.14778	3.1
165.12787	1.2
171.11670	0.8
173.13243	11.6
175.14806	19.6
177.05530	1.8
177.16412	3.3
179.10681	0.9
180.10187	0.6
181.04961	0.7
185.13361	1.3
187.14789	7.5
187.16277	0.6
189.03830	0.6
189.12885	0.6
189.16454	1.4
193.12219	20.6
193.13907	1.1
194.12695	0.6
199.14886	1.1
201.10310	0.6
201.12770	0.4
201.16347	9.0
201.18044	0.6
203.14371	0.7
203.18042	0.6
205.12173	2.6
207.13768	10.7
207.15549	0.7
208.09750	1.2
210.31406	0.5
211.08551	0.5
213.03983	1.7
215.18011	2.7
219.13777	3.4
221.15341	16.7
221.17375	0.9
223.17021	0.8
225.10280	0.8
227.08229	0.8
229.19623	1.3
231.04953	7.8
231.07010	0.6
233.15366	3.5
235.16943	0.6
241.09871	0.5
243.21092	0.8
245.22682	0.7
247.17073	1.4
249.06041	9.7
249.08240	0.6
249.10165	0.8
251.11751	0.8
253.07210	0.5
253.09756	0.8
257.22617	46.8
258.23102	1.5
263.11880	1.4
264.12225	0.5
265.13242	0.9
267.11447	0.5
267.21152	0.6
269.08975	0.8
271.08353	0.7
275.23880	1.8
277.09839	0.9
279.11050	0.6
285.12421	0.6
285.22141	4.1
291.11292	1.0
291.23285	1.1
295.10931	1.5
296.11115	0.8
303.23141	57.6
304.23325	2.1
309.12491	0.8
313.12131	0.6
314.13019	0.6
315.68887	0.5
320.11053	0.7
325.11411	2.3
356.13675	0.6
357.08450	0.8
375.09320	1.9
393.10501	2.5
411.11499	1.0
419.28018	2.0
426.13828	1.0
430.13220	0.5
447.27365	1.0
449.97598	0.5
453.13229	1.5
454.13498	1.5
465.28708	0.6
472.31506	0.8
472.82068	0.9
487.27048	0.7
505.27872	2.4
533.27759	1.2
555.45386	0.6
558.21295	0.6
559.21362	1.3
575.18488	0.6
592.19562	0.7
593.19812	1.5
594.21210	1.3
595.21063	0.9
606.20959	0.8
607.21423	1.5
624.23004	0.6
625.23700	0.5
626.23505	0.8
627.23975	0.6
716.26648	1.5
734.27289	1.3
756.25214	0.7
757.26300	1.1
878.31750	0.6
910.64807	0.8
927.66022	68.7
928.66345	100.0
929.65247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.5
69.39645	0.6
71.01347	0.7
71.04987	3.6
72.49274	0.1
73.02914	5.1
75.04472	0.3
77.71595	0.2
79.05470	0.4
80.16286	0.1
81.03406	0.7
83.04975	2.3
84.04498	23.5
85.02897	7.3
87.04467	0.3
89.03906	2.5
91.05488	0.3
95.04952	0.6
97.02885	5.3
99.04449	0.7
101.02357	0.2
101.07137	1.8
102.05534	0.8
103.03920	0.2
107.04977	1.0
109.02888	0.5
109.06514	0.3
111.04433	1.6
115.03910	1.6
117.03379	3.2
118.32013	0.2
123.04418	1.9
123.53089	0.2
127.03882	0.6
129.05481	1.8
130.04993	28.3
133.02869	1.5
133.04965	0.7
135.04404	8.6
137.05959	0.8
139.03886	0.5
145.02834	8.4
145.04657	0.2
147.06625	0.9
147.07628	23.9
148.07938	0.2
151.03883	1.8
152.04643	0.3
153.05469	3.0
161.05894	0.4
163.03888	100.0
164.04231	1.5
165.05507	0.9
167.07005	1.1
168.06526	0.2
169.05011	0.2
175.03856	0.4
177.05518	0.4
177.42365	0.2
181.04941	2.0
183.06535	1.5
195.06473	0.2
207.06519	1.6
216.06551	0.4
219.06564	0.4
225.07584	0.6
231.06439	0.2
243.08607	0.3
249.07660	0.5
262.07101	0.3
273.07370	0.2
275.09058	0.3
279.09109	0.4
291.08582	0.5
293.10135	0.9
295.08023	0.6
297.10718	0.3
307.08115	0.6
309.09671	0.8
311.11185	0.9
325.09152	20.9
326.09491	0.7
447.42294	0.2
471.12756	0.3
489.13824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31580	0.3
68.05029	0.8
69.03439	0.4
70.02947	3.8
70.06588	100.0
71.06924	0.7
74.06076	11.8
82.06579	0.7
83.06100	0.3
84.04514	2.3
85.04031	0.4
86.06042	0.4
86.09702	12.1
87.05588	5.8
91.05466	1.3
94.49277	0.2
96.04504	0.6
96.08115	1.2
97.07645	8.5
97.63136	0.3
98.02390	0.4
98.06071	0.8
98.22653	0.9
100.07603	0.6
102.05506	0.3
103.05461	2.4
105.07025	0.6
110.06065	0.3
111.05576	0.8
112.03989	0.5
112.07615	1.2
112.11248	1.8
113.03488	0.4
113.07124	1.8
114.05498	0.6
115.05434	0.6
115.08691	2.2
116.07095	1.4
117.05751	0.7
118.06535	0.9
119.07287	0.5
120.08098	53.8
121.08466	0.9
122.06013	1.1
123.05633	0.3
124.03953	0.6
125.07109	48.1
126.07440	0.5
126.09128	2.2
127.05042	0.7
127.08688	1.3
129.06596	1.8
130.05028	0.5
130.06520	14.2
130.08600	2.4
132.08075	8.7
133.06111	0.3
136.03941	0.4
137.07080	0.7
139.05040	0.4
139.08635	4.3
139.09625	0.3
140.07060	1.7
140.08025	0.3
141.06581	4.2
141.10202	1.9
142.06544	1.4
142.12283	0.7
143.07278	0.3
144.08070	5.7
145.07611	0.9
146.06064	0.8
146.09633	1.2
150.05504	0.7
151.08652	1.3
152.08191	1.5
153.06577	1.5
153.10283	0.5
154.06523	0.3
155.08159	4.4
155.11771	0.6
156.08099	1.2
157.07582	0.3
157.09761	1.3
157.13342	1.5
158.08371	0.9
158.09644	1.9
159.09166	50.4
160.07582	0.7
160.09598	0.7
165.10228	0.3
166.09837	0.3
167.06764	0.5
167.08165	6.7
168.06561	0.7
168.08093	2.1
169.06197	0.4
169.07622	4.0
169.09726	1.5
169.13345	0.4
170.06007	3.0
170.09467	0.3
171.07663	1.9
171.09204	1.0
171.11279	0.4
172.07320	0.3
172.11131	1.3
173.10719	0.3
175.10744	0.8
176.08203	0.8
176.10687	5.7
177.06642	0.7
178.04980	0.3
179.08163	1.0
180.07741	0.3
181.06062	1.1
181.09732	0.8
183.11353	0.5
183.14960	0.7
184.10878	1.5
185.07397	0.5
185.09229	6.7
185.10785	2.3
185.12570	1.6
186.09103	2.4
187.08647	4.0
187.10207	0.3
188.07085	1.6
188.10364	0.5
188.14291	1.3
189.10318	0.3
191.08183	1.1
191.11780	8.3
191.13443	0.5
192.07712	0.4
194.09329	1.1
195.07642	7.0
195.11337	0.4
196.06061	2.3
196.07637	0.7
196.11208	0.5
197.07115	0.4
197.10786	1.2
197.12892	0.3
198.08788	1.6
198.12787	0.4
199.07130	0.8
199.08913	0.3
199.10724	0.3
199.12399	0.4
200.14331	2.3
201.10300	0.7
203.10268	1.1
203.11871	0.8
205.09802	0.4
207.07646	2.0
208.07166	0.7
209.10841	0.5
209.12885	0.4
210.08725	0.9
210.12674	0.8
211.08705	0.2
211.10538	0.5
211.12338	5.2
211.14275	0.5
212.10364	1.8
213.08603	0.4
213.10390	0.6
213.13918	0.4
215.08202	0.4
215.11865	0.6
215.14049	0.3
216.09766	4.2
217.09827	0.4
217.13380	1.5
219.11275	2.9
221.07179	0.5
221.09108	0.3
221.10938	0.5
221.12860	2.3
223.12247	0.8
224.10367	0.8
226.11961	0.3
227.15491	2.0
228.13362	0.4
229.36154	0.3
231.11264	3.8
234.08723	1.6
235.07095	0.7
236.10318	1.1
237.12328	0.3
238.08188	0.5
238.11670	0.6
238.13487	1.1
239.08011	0.4
239.11806	0.7
240.54933	0.3
243.11295	1.4
244.11133	0.5
245.12888	0.7
249.12331	2.6
250.11861	0.8
251.11362	0.9
252.09818	1.4
253.09705	0.3
253.12862	0.4
254.11281	0.5
255.10904	0.8
255.14903	2.8
256.14423	36.9
257.14865	0.6
259.18060	2.2
261.13889	1.0
264.09595	0.5
266.12863	0.7
268.16745	1.3
269.12607	0.6
271.10770	0.9
272.17523	4.4
273.11859	0.5
274.15762	0.3
278.11258	0.5
280.09381	0.4
280.16696	1.3
281.12460	1.2
282.10895	0.8
282.15759	0.5
283.14249	0.6
284.13910	36.5
285.14182	1.0
287.14157	0.6
287.17551	0.9
288.13477	0.9
289.19357	0.4
293.14044	1.1
294.12286	1.8
295.13980	0.8
296.12744	0.5
297.12305	0.7
298.15424	0.4
298.19125	0.6
299.13501	1.4
300.16940	2.7
301.16666	1.5
302.14960	1.9
308.13974	0.9
309.11917	0.4
310.15628	0.3
313.15079	0.4
314.15018	2.4
314.18439	0.4
317.14563	1.3
320.16135	1.0
322.11929	0.7
322.15585	0.6
326.18542	1.2
331.27124	0.3
332.15891	0.6
333.15491	0.4
336.13370	3.8
339.14435	1.8
339.20261	0.7
340.16449	0.3
342.14709	0.3
350.14706	0.7
353.15921	0.8
355.17691	1.2
357.15262	0.5
363.14603	0.4
364.12747	1.3
367.17636	0.5
369.18753	0.3
369.22931	0.8
370.18201	0.4
371.20779	0.9
380.16742	0.3
381.15512	2.1
385.18661	1.4
394.20953	0.4
397.22333	11.9
398.18173	3.4
401.18314	0.4
403.19815	1.1
409.14902	0.3
409.54810	0.3
414.20013	0.6
415.23407	1.0
424.19345	0.3
429.17535	0.3
433.24673	0.5
440.26404	1.3
446.20264	0.7
449.21991	0.5
464.21072	0.4
466.24448	0.4
468.26044	8.4
469.26749	0.6
472.21771	0.5
481.22086	0.6
482.20541	0.7
485.29041	0.3
490.22906	0.4
494.24329	1.0
498.27188	0.6
499.22781	1.8
500.21603	0.8
502.24261	0.5
511.26639	2.8
512.27075	0.4
516.28387	0.5
517.24286	1.8
518.22449	0.5
534.28223	0.3
535.25122	1.2
537.27924	0.4
542.46130	0.3
551.29974	0.5
561.26904	0.3
565.27039	1.1
569.30365	0.6
572.28259	0.5
577.27826	0.5
582.30389	2.6
585.30322	0.7
587.33435	2.0
594.30426	1.0
595.27887	0.5
603.30554	0.9
612.31555	1.6
613.30988	0.6
615.33185	5.0
629.31720	0.4
630.32501	0.9
648.32867	1.5
652.34351	0.4
665.34137	1.7
666.32635	0.6
671.31110	0.4
678.32355	0.6
683.35095	1.1
684.34204	0.6
688.37372	0.4
695.34924	0.6
698.36511	2.9
701.36267	0.5
702.33191	0.6
712.34399	1.6
713.35944	0.8
716.37750	2.4
728.35938	0.4
729.36774	2.2
745.38794	0.6
748.37402	1.0
749.35815	1.0
755.38782	0.4
766.39160	2.4
767.37573	0.9
773.36151	0.7
781.40375	1.6
782.38721	0.4
783.34540	0.6
784.40082	1.7
785.39117	0.5
789.40857	0.4
796.37225	0.3
797.39484	0.4
799.40765	2.6
800.37927	0.5
801.35736	1.4
807.41687	0.9
812.40283	1.0
813.38599	0.4
817.42279	1.2
818.38123	1.3
824.40607	0.4
825.41541	0.7
830.42224	0.7
842.42041	0.5
843.40417	0.4
860.42297	0.7
868.43109	1.0
869.42944	0.9
870.42822	0.8
878.41772	0.5
885.45813	0.5
886.44122	1.1
887.44287	1.0
895.44043	3.4
896.43121	3.5
903.46680	2.1
913.45569	6.4
914.43878	3.6
915.43805	0.4
931.46613	10.5
932.46527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.5
67.05496	5.0
69.03418	0.6
69.06705	0.5
69.07065	5.6
71.43426	0.7
71.64278	0.4
72.08143	0.5
78.59837	0.4
79.05482	1.9
81.03455	0.5
81.07044	4.4
83.08603	1.4
85.02892	1.0
89.03925	0.6
91.05482	5.6
93.07024	3.9
95.04938	0.8
95.08600	16.8
97.02882	5.0
103.05508	0.7
105.07023	9.9
107.08589	5.0
109.10146	18.9
115.03928	0.5
116.47878	0.4
117.03355	0.9
117.07003	1.9
119.08572	40.4
121.10125	2.3
123.08009	1.0
123.11679	1.3
131.08554	1.8
133.10120	49.2
134.10861	0.5
135.04388	1.3
135.11687	8.0
137.09605	7.1
145.02795	1.7
145.10138	2.8
147.11676	10.9
149.13252	2.4
151.14842	3.4
159.11601	0.5
160.12476	2.7
163.03897	12.6
167.03394	1.0
173.13255	1.4
175.03984	0.7
175.14809	100.0
176.15149	1.7
177.05429	2.1
193.15872	20.5
195.06505	0.5
202.68970	0.5
247.18623	0.5
259.06085	1.5
277.07004	2.9
295.08176	0.8
326.16962	0.7
407.28699	0.5
543.13470	1.3
548.63116	0.6
747.35449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.279
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
69.03430	8.5
69.40950	2.0
70.02937	0.8
70.06582	0.7
71.01347	1.5
71.04990	7.0
73.02915	15.7
75.04485	0.7
76.04005	0.6
79.05476	1.0
81.03405	2.5
82.06561	0.4
83.04974	5.8
84.04501	19.0
85.02901	17.8
87.04491	0.4
89.03906	4.0
91.05473	0.7
92.12630	0.4
95.04958	1.6
97.02887	13.1
97.06564	0.4
99.02734	0.9
99.04448	1.5
104.66726	0.4
105.03397	0.8
107.04946	2.2
109.02894	1.1
111.04448	3.5
112.03968	23.2
115.03938	3.2
117.03354	4.6
119.04944	0.5
121.01074	0.6
123.04424	2.8
127.02138	5.5
127.03931	1.3
128.03427	0.5
129.05476	3.2
130.04996	100.0
131.05327	0.9
133.02872	3.3
133.04973	1.3
134.03313	0.4
135.04405	15.2
136.04753	0.7
137.04242	0.5
137.05956	2.4
139.02127	1.0
139.03894	0.6
141.00047	0.8
141.06563	0.5
145.02834	10.2
145.04684	0.5
147.02631	5.0
147.06522	1.1
149.00562	2.5
150.01401	0.6
151.02103	0.8
151.03899	1.8
152.04675	6.0
153.05449	2.6
155.01596	18.9
155.04434	0.6
160.00650	0.6
163.03893	96.6
164.04190	2.0
165.03786	0.9
165.05397	0.8
167.01610	7.7
168.02397	3.6
169.03271	1.0
175.02129	4.7
177.05460	0.8
179.03386	0.9
180.06618	0.4
181.03406	0.7
181.04906	3.1
185.02663	13.7
193.03172	32.1
194.03421	0.6
195.92863	0.5
197.02669	0.8
209.02635	0.5
211.04222	6.1
221.02548	0.5
225.07588	0.9
234.75633	0.5
243.08960	0.5
268.06357	0.6
277.07132	0.5
295.07944	0.5
296.05875	18.7
297.06293	0.6
299.49197	0.4
307.08197	1.6
309.09647	0.6
314.03922	0.4
314.06900	20.2
323.07559	3.9
324.07880	2.5
325.09149	23.7
326.09598	0.5
331.09555	89.0
332.09857	1.8
355.09518	0.6
373.10611	33.8
374.10916	0.7
397.10617	1.0
409.10565	1.9
418.09534	1.1
423.12170	5.7
427.11444	0.7
434.31464	0.4
439.11584	0.8
441.13220	3.9
452.69269	0.5
457.12762	2.1
459.13965	2.9
463.13895	2.2
477.15427	8.3
478.15903	0.6
493.14835	1.9
505.14911	4.6
591.18097	0.5
609.19635	2.8
637.16406	0.5
655.17993	12.9
656.17712	0.6
697.19037	1.5
736.14545	0.4
783.21863	0.6
787.22412	0.6
801.24054	2.6
829.22992	0.6
933.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.3
68.43078	0.2
69.03426	5.1
69.49348	0.2
70.62999	0.5
71.01354	1.3
71.04985	4.8
72.04509	0.3
73.02913	16.4
73.32193	0.2
75.04429	0.3
79.05468	0.6
81.03404	1.2
82.54092	0.3
83.04975	4.8
85.02897	11.9
86.26012	0.3
87.04440	1.1
89.03064	0.5
89.03898	2.5
95.04951	0.6
97.02882	7.7
99.04432	0.9
101.02333	0.5
103.03893	0.3
107.04913	0.9
109.02847	0.9
111.04435	2.4
115.03901	3.7
117.03374	3.1
127.03861	1.2
129.05449	2.6
133.04980	1.5
135.04404	6.2
139.03928	0.5
145.02846	6.5
147.06500	1.1
163.03889	57.4
164.04286	1.2
171.06494	1.1
177.05463	0.3
181.04959	2.2
188.71002	0.3
195.06680	0.3
196.07544	0.3
199.06136	0.3
211.06264	0.8
212.07019	0.5
213.10046	0.3
225.07623	0.6
227.08131	0.9
228.08838	0.5
229.06047	0.9
237.06418	0.3
239.05724	0.8
239.08246	0.6
240.08882	0.7
241.09749	0.4
242.08502	0.3
243.07690	0.6
244.09663	0.9
251.08087	0.8
252.09015	1.2
253.07269	2.0
253.09782	1.4
254.04472	0.4
254.06741	0.6
255.07617	5.2
256.08191	0.5
257.09235	1.2
260.09186	2.2
263.08020	0.4
265.06396	0.8
267.07611	1.8
267.11020	0.3
268.08478	1.0
269.09174	1.7
272.09125	4.9
273.08774	1.1
274.10800	0.4
279.07635	0.4
280.08429	2.8
281.09137	0.8
282.10040	1.0
283.10672	0.7
285.09109	0.5
285.12354	0.8
286.09619	0.9
287.10229	4.2
288.08514	1.9
288.11078	6.7
295.10690	1.4
297.12115	0.3
298.09482	2.0
300.10977	2.9
301.11816	3.4
307.08078	1.0
313.11792	18.9
314.12485	0.4
325.09091	5.5
330.13132	0.7
331.12851	100.0
332.13123	2.6
346.13156	0.3
355.12784	0.4
373.13956	1.0
413.24716	0.3
463.17328	0.3
473.82657	0.2
475.17261	0.2
477.18744	1.4
493.17905	1.8
655.21252	69.7
656.22028	2.7
675.91272	0.3
787.25500	1.1
801.26990	8.5
802.26392	0.6
851.94714	0.3
933.31171	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	935.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.0
69.07059	4.4
76.54420	2.0
80.62413	2.3
81.07054	5.3
93.07050	3.6
95.08598	5.0
119.08478	2.1
120.93758	2.2
141.72337	2.3
150.95599	15.7
154.94220	2.3
161.96312	2.4
168.95679	5.5
172.95242	4.0
186.96790	21.6
190.96175	2.4
201.24413	2.6
204.97890	10.9
228.97665	3.0
242.99437	5.4
249.06854	2.4
314.28107	2.3
319.19455	4.2
321.07794	2.5
337.20566	12.4
337.27451	5.2
358.88754	2.1
413.17569	2.8
469.20578	3.3
473.19705	13.2
487.21967	100.0
488.22433	2.7
491.79974	2.8
558.17444	2.6
618.38861	2.4
655.22681	3.7
684.47028	2.3
789.94727	2.6
917.43872	2.5
935.45776	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	936.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.5
71.01344	0.4
71.04993	5.8
71.38287	0.3
73.02915	3.4
75.04472	0.6
81.03408	0.7
83.04977	3.8
85.02902	12.4
87.04466	0.4
89.03905	1.8
91.03924	0.6
95.04964	0.5
97.02888	7.0
99.04463	0.5
103.03935	0.5
107.04940	0.8
109.02849	0.5
111.04437	2.2
115.03918	2.1
116.89093	0.2
117.03374	2.2
127.03888	0.9
129.05476	3.3
133.04948	0.6
135.04410	6.0
137.06007	0.5
139.03868	0.4
145.02850	6.3
145.04927	0.6
147.06532	2.3
151.03917	0.2
151.07481	0.2
161.05969	0.3
163.03894	100.0
164.04243	1.3
165.05544	0.4
171.06526	0.2
179.06978	0.3
181.04938	2.1
191.08145	0.4
198.67197	0.2
225.07576	1.3
233.09299	0.5
243.08691	0.9
250.11932	0.5
255.08655	0.5
261.09674	0.5
273.07312	0.2
279.10794	1.1
291.08490	0.3
295.08054	1.3
297.58740	0.2
307.08176	0.9
309.09695	0.8
317.10007	0.3
325.09167	33.1
326.09488	1.0
436.29321	0.2
457.13583	0.2
461.14594	0.3
471.14929	0.5
492.93954	0.3
519.10120	0.2
524.51221	0.2
571.66345	0.2
658.18878	0.7
699.43005	0.2
775.29449	0.2
868.20575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.5
69.41161	0.5
71.01344	0.4
71.04990	3.1
72.38698	0.1
73.02914	3.9
75.04459	0.3
79.05478	0.2
81.03401	0.4
83.04972	1.7
85.02898	6.2
86.50283	0.1
87.04484	0.2
89.03901	1.7
91.05464	0.2
95.04962	0.2
97.02879	5.1
99.04465	0.6
101.02370	0.2
101.64999	0.1
103.03909	0.1
107.04932	0.8
109.02851	0.3
111.04446	1.1
115.03926	1.3
115.67353	0.1
117.03377	2.4
125.06001	0.1
126.45879	0.1
127.03871	0.7
129.05460	1.6
133.04930	0.5
133.90865	0.1
135.04404	5.8
137.05978	0.5
137.22734	0.1
139.03860	0.2
144.12950	0.1
145.02837	6.3
145.04817	0.3
145.83942	0.1
147.06491	1.1
160.71004	0.1
161.05884	0.1
163.03886	100.0
164.04218	1.4
165.05473	0.3
169.04877	0.2
179.07039	0.3
181.04953	2.1
225.07507	0.6
243.08643	0.3
245.08031	0.2
263.09143	0.2
277.90594	0.1
279.10718	0.4
281.10086	0.2
295.08112	0.5
296.61221	0.1
299.11362	0.1
307.08105	0.9
309.09641	0.4
317.10165	0.4
325.09146	29.2
326.09512	0.7
461.13919	0.1
471.15155	0.2
711.60736	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	936.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66486	0.1
67.05500	0.2
69.03065	0.2
69.03427	3.4
71.01341	0.6
71.04390	0.2
71.04987	4.2
73.02911	3.7
75.04461	0.4
79.05479	0.3
81.03410	1.0
83.04974	2.8
85.02898	10.4
86.03234	0.2
87.04461	0.4
89.03909	2.0
91.03934	0.6
91.05473	0.2
95.04972	0.3
97.02251	0.3
97.02883	6.1
99.04442	0.6
101.02361	0.2
101.05998	0.2
103.03934	0.2
107.04945	0.7
109.02850	0.5
111.04438	1.9
113.05959	0.2
115.03919	2.1
117.03364	3.6
117.82638	0.2
123.04406	0.2
127.03873	1.1
129.05469	2.9
133.04979	0.7
135.04408	7.7
136.04744	0.3
137.05956	0.4
139.03885	0.4
145.02835	7.0
145.04921	0.5
147.04491	0.1
147.06503	1.7
151.07452	0.2
153.05394	0.2
157.04974	0.2
163.03886	100.0
164.04198	1.7
165.05457	0.4
169.04971	0.3
171.06477	0.3
179.07060	0.3
181.04929	2.1
183.06494	0.2
187.05980	0.2
207.06570	0.1
221.08006	0.2
225.07581	0.9
243.08650	1.1
245.08127	0.2
255.08659	0.2
261.09732	0.4
263.09167	0.2
273.09671	0.2
279.10733	1.2
295.08075	0.9
303.04898	1.1
304.05289	0.6
307.08176	0.7
309.09482	0.9
325.09146	26.8
326.09460	0.6
435.12677	0.2
446.74377	0.1
461.13950	0.1
471.15005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.5
70.67274	0.3
71.01342	0.5
71.04985	3.8
73.02911	4.4
75.04493	0.2
79.05495	0.2
79.88390	0.1
81.03413	0.8
83.04971	2.2
85.02895	8.5
87.04436	0.3
89.03896	2.2
91.03929	0.3
91.05470	0.4
95.04955	0.3
97.02885	5.6
99.04443	0.5
99.22118	0.1
107.04943	0.8
109.02875	0.3
110.49774	0.1
111.04445	1.4
115.03899	1.4
117.02559	0.3
117.03367	2.9
119.04915	0.2
121.06454	0.1
123.04427	0.1
127.03880	1.2
129.05467	2.1
133.04935	0.7
135.04398	8.6
137.05969	1.7
139.03854	0.3
139.93761	0.1
144.40698	0.1
145.02838	8.0
145.04878	0.4
147.04268	0.1
147.06500	1.3
149.05968	0.3
151.03891	0.2
151.07500	0.3
161.05937	0.3
163.03883	100.0
164.04195	1.4
165.05469	0.4
175.07639	0.2
179.07014	0.7
181.04918	1.8
189.05490	0.1
203.07056	0.3
221.08008	0.3
225.07535	0.4
243.08662	0.4
245.07990	0.1
247.09641	0.3
251.09123	0.3
261.09778	0.2
263.09158	0.2
265.10645	0.3
273.07401	0.2
279.10776	0.8
287.11322	0.2
291.08615	0.2
295.08044	0.6
299.32266	0.2
301.13132	0.2
307.08197	0.6
309.06339	0.2
309.09616	0.6
309.12384	0.2
325.09143	24.8
326.09500	0.6
457.13297	0.5
461.14600	0.3
471.15039	1.2
487.14395	0.7
509.82669	0.2
641.16620	0.2
652.48578	0.2
944.67072	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	936.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.1
69.03426	2.6
69.76049	0.3
69.76414	0.3
71.01334	0.4
71.04986	3.0
73.02914	4.0
75.04465	0.3
79.05482	0.3
81.03430	0.6
83.04972	2.0
85.02898	6.3
87.04488	0.3
89.03903	2.0
91.03928	0.1
95.04965	0.3
97.02883	4.7
99.04448	0.5
101.02351	0.1
103.03912	0.3
107.04954	0.9
109.02855	0.2
111.04424	1.2
115.03914	1.5
117.03368	2.8
120.05071	0.1
120.58218	0.1
123.04412	0.1
127.03893	0.5
129.05472	1.5
133.04941	0.5
135.04399	7.3
136.04770	0.1
137.05983	0.5
139.03795	0.3
145.02837	8.2
147.06502	1.1
149.05972	0.2
163.03886	100.0
164.04224	1.7
165.05513	0.2
169.04919	0.2
179.07008	0.3
181.04939	1.8
221.08205	0.1
225.07579	0.6
243.08694	0.4
245.08221	0.2
263.09131	0.2
279.10651	0.4
295.04773	0.1
295.07874	0.6
299.11224	0.2
307.08157	0.7
309.09470	0.7
325.09143	32.2
326.09409	0.8
364.35318	0.1
435.13092	0.2
457.12527	0.1
471.15106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.5
66.63129	0.9
67.05502	73.9
69.03415	3.9
69.06712	1.5
69.07062	15.6
70.06612	1.1
71.04986	4.1
73.02914	3.3
73.06537	1.2
77.03893	1.5
79.05489	56.6
81.03413	91.0
81.07053	72.5
83.04988	6.1
83.08616	23.1
85.02904	10.4
85.06509	3.0
91.03957	5.9
91.05473	44.4
92.05796	1.4
93.07042	56.6
95.04967	34.3
95.08602	48.7
95.09218	2.3
97.02894	6.7
97.06524	6.6
97.10172	8.4
98.23413	2.9
99.08102	1.5
102.96700	1.3
103.05464	1.3
105.04506	1.8
105.07027	32.1
107.04958	8.9
107.08586	32.0
109.06519	7.2
109.10154	25.3
111.04432	1.9
111.08070	9.3
117.07022	8.5
119.08572	27.1
121.06467	4.8
121.10136	27.7
123.04445	3.4
123.08044	3.7
123.11684	8.4
125.09582	5.8
127.03903	2.3
129.06998	10.6
131.08568	23.5
131.09491	0.8
133.06419	2.8
133.10118	18.0
135.08009	1.5
135.11676	18.2
137.09627	2.8
137.13258	1.9
139.11194	1.8
142.07726	2.4
143.08551	4.0
145.04990	1.7
145.10126	13.1
147.08066	6.0
147.11684	14.4
149.09612	5.5
149.13255	7.7
157.10121	11.8
159.08104	1.5
159.11644	8.2
161.09595	1.6
161.13280	6.7
163.06020	4.0
163.11185	3.5
163.14803	3.6
165.12775	2.1
169.10109	1.8
171.11710	3.7
173.09660	1.8
173.13220	6.7
175.11208	9.9
175.14857	2.7
177.16373	1.4
183.11676	2.3
185.13290	2.5
187.14854	3.6
189.09398	1.0
189.11200	3.5
189.12769	1.4
193.12201	20.9
197.13268	1.5
206.21469	1.2
211.13193	2.0
227.12724	7.8
235.13284	2.5
243.20959	6.2
249.14822	3.1
259.13342	2.0
259.20673	1.5
261.22119	21.3
267.15884	95.0
272.19809	1.4
279.23178	1.9
285.21988	2.0
301.14291	2.9
301.25150	6.4
309.16956	5.1
317.24777	6.1
333.24036	1.2
335.25781	100.0
336.26062	3.3
373.26993	1.8
403.24734	1.6
421.25824	4.1
435.27222	2.8
435.32516	6.2
453.33652	7.6
471.34720	5.3
475.30621	2.0
509.35788	2.5
527.37305	73.7
528.37305	2.1
545.38348	68.6
546.38629	3.6
569.38220	11.9
587.38855	1.3
611.39014	1.9
623.38995	3.6
635.38965	4.5
653.40515	2.7
671.41016	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	937.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70123	0.3
69.31480	0.6
69.31874	1.4
70.03367	0.3
70.06603	0.4
71.32548	0.4
74.36671	0.3
78.01233	0.3
90.52509	0.4
98.22695	0.7
107.68302	0.4
269.03366	0.7
287.04300	0.6
376.45627	0.4
683.38965	0.4
686.02441	0.4
707.18298	1.2
749.19153	0.5
905.50507	0.4
937.27234	100.0
938.27539	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	937.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93185	1.3
70.06600	0.5
91.92733	0.4
97.20551	0.4
107.07142	0.4
113.68449	0.4
114.61244	0.4
115.77516	0.3
121.29756	0.3
133.10146	0.4
134.98061	0.4
137.06001	0.4
145.02867	0.8
177.05469	1.0
325.10477	0.5
337.10782	0.6
743.83765	0.4
749.20056	0.5
824.65527	0.4
937.27222	100.0
938.27393	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	938.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	100.0
74.06072	2.3
75.02679	1.3
82.41514	0.8
84.04503	1.1
86.09724	4.1
91.05493	2.1
98.06048	21.4
99.53599	0.7
101.07171	1.3
104.05323	22.0
108.08130	2.6
115.08705	1.9
116.05310	3.1
119.04939	1.4
120.08089	9.8
126.05501	12.6
126.09157	3.4
127.08689	3.8
132.08105	1.5
136.07573	18.7
138.12766	25.0
148.07558	1.3
151.12370	1.0
153.10222	30.6
155.08174	3.6
158.09657	1.6
163.03943	1.1
165.10284	0.8
166.17366	0.7
167.11832	4.6
170.09641	1.1
172.11240	4.8
174.09145	0.9
176.10750	0.9
177.10226	1.6
181.09662	1.4
185.11073	1.9
192.10196	2.2
193.09744	0.8
195.11273	8.1
201.10556	21.3
202.08644	1.6
205.09689	0.9
212.13985	3.4
213.10614	1.2
219.18541	1.1
221.12863	7.0
222.09439	1.5
223.09956	0.7
229.10022	14.6
229.13422	1.8
231.11140	1.8
237.12195	1.5
241.10056	1.7
244.10907	0.8
247.10861	2.4
249.12392	3.0
250.14330	1.1
252.13495	0.8
261.12308	0.7
267.11624	4.6
269.16611	0.8
280.06842	0.7
280.14719	1.8
285.12402	1.0
295.11206	1.6
302.14960	1.0
306.14490	2.0
308.14264	3.4
326.15323	13.5
343.18051	3.4
364.16867	1.9
367.16476	0.8
378.14618	1.0
392.16434	2.6
461.22110	4.1
475.19962	1.6
489.21567	11.8
562.26556	1.1
564.28644	1.1
572.25146	2.4
582.29797	0.9
590.27051	4.3
737.32434	1.1
744.38019	1.0
776.32495	1.2
794.35632	4.5
879.28693	1.4
879.44257	21.6
880.42969	1.5
889.28394	0.8
889.43115	7.9
907.43756	67.8
908.43854	4.2
938.41766	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	938.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04204	0.5
68.05000	0.9
70.06590	100.0
72.08154	4.6
74.06075	1.1
81.07047	0.7
86.06088	0.6
86.09702	13.7
87.04438	0.6
98.06072	1.2
98.09707	0.8
112.04008	1.5
115.08678	1.3
116.07094	1.0
120.04781	1.2
124.11228	1.8
126.09159	0.7
127.08689	2.6
138.12790	2.8
139.08754	0.6
141.10246	1.3
143.11772	1.6
152.10710	1.1
153.10185	1.0
155.08139	3.6
163.03972	0.7
167.15469	2.4
169.13345	6.6
171.11238	4.5
177.90799	0.6
179.11899	1.1
180.10185	6.1
181.09718	13.9
181.13344	0.8
183.11388	0.9
183.14926	25.9
195.14948	1.8
197.12852	5.5
199.10687	3.6
207.11176	0.8
209.12881	1.1
211.14400	21.0
212.14774	0.8
212.35838	0.6
215.12152	1.4
223.14424	1.4
228.17273	0.7
233.13136	5.4
237.12302	1.2
237.19699	0.9
238.11977	1.0
239.17525	0.9
244.09993	1.0
250.15550	2.2
252.17120	0.8
254.15074	2.6
261.12643	5.3
266.18744	1.8
268.16617	2.9
276.17014	1.1
280.16608	2.3
292.20523	0.7
294.18152	4.2
309.22778	0.6
318.14841	4.0
336.22769	0.8
349.03717	0.7
350.20740	0.9
351.20428	1.2
353.25482	0.7
358.17938	17.7
370.17590	1.1
375.20956	0.9
377.22009	0.6
379.27182	0.9
393.25003	0.9
402.20435	0.7
403.24069	0.7
415.19980	1.3
431.23306	2.2
436.29614	1.5
443.27042	1.1
450.26974	0.8
464.28671	3.4
468.28226	1.5
471.26379	7.2
500.29633	0.7
528.28351	8.3
549.37512	0.9
563.35596	1.0
577.36688	4.1
581.36841	0.7
613.37378	4.0
641.36926	24.3
655.34613	1.1
738.42285	0.7
740.43567	1.7
761.45404	0.9
768.43591	1.1
807.44220	1.1
821.45959	1.2
825.44995	3.1
839.47394	0.9
856.52222	1.3
874.54047	3.3
878.25690	1.0
892.54199	1.2
894.51544	0.9
910.53766	4.1
920.53210	6.8
938.54926	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	938.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.5
67.05500	13.8
67.05869	0.7
69.07063	11.2
69.24682	0.5
69.25089	1.0
71.04981	0.5
71.08626	0.4
79.05485	4.2
81.07050	16.5
83.04974	0.7
83.08616	6.9
85.06535	0.6
91.05460	2.4
93.07032	5.0
95.04946	0.6
95.08596	14.2
97.06493	1.0
97.10168	3.2
98.22714	0.5
98.98463	0.5
99.08057	0.4
104.14141	0.3
105.07015	2.6
107.08583	2.4
109.10148	4.8
111.08086	0.8
111.11743	0.7
119.08545	1.9
121.10131	2.0
123.11719	2.3
124.01577	0.5
124.93759	6.7
133.10098	2.0
135.11699	1.5
136.51830	0.3
137.13260	0.8
147.11685	1.1
149.13255	0.5
151.14786	0.4
156.96375	15.0
161.13249	0.8
165.12723	0.3
175.14812	0.6
177.16393	0.3
198.05244	0.4
198.63309	0.3
198.97537	0.4
212.98996	1.8
213.99283	0.3
216.06277	1.0
231.00101	0.3
255.59351	0.3
259.24286	0.3
277.25232	0.6
320.29419	2.6
323.19547	0.4
351.28906	100.0
352.29282	2.6
459.18903	2.7
460.19156	2.3
491.21390	20.7
492.21765	21.0
492.30457	2.0
493.21817	0.5
605.54108	0.3
639.58112	0.3
722.49231	0.3
938.43756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	19.7
69.07067	13.6
70.07513	7.0
70.75628	1.9
79.05498	5.5
81.07052	20.9
83.08620	6.2
85.06540	2.0
88.19688	1.8
91.05490	3.9
93.07034	4.6
95.08620	16.4
97.10181	2.5
98.98462	7.3
105.07028	4.0
107.08585	4.4
109.10168	6.5
119.08601	2.4
121.10143	3.8
123.11697	2.4
124.01618	3.3
124.93774	22.3
133.10112	3.0
135.11726	2.2
137.13211	2.9
147.11745	2.2
149.13322	1.9
154.61069	1.8
155.01076	5.5
156.96378	34.2
170.49319	2.0
173.02199	2.3
174.48988	2.0
176.09128	1.7
180.84724	1.7
202.17311	1.7
212.98993	4.8
216.06349	4.8
225.95210	2.3
250.41666	1.9
277.25247	6.3
315.78781	2.3
320.29471	15.4
351.28931	100.0
352.29175	2.6
431.25797	3.7
459.18799	9.2
460.19080	7.6
469.22916	2.8
474.29703	16.2
478.38110	1.8
491.21423	52.5
492.14734	3.9
492.21689	46.1
492.30670	23.0
522.53381	2.2
938.58972	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	939.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.9
70.06595	3.3
71.01347	1.3
71.04984	3.8
71.42071	0.9
73.02913	8.9
81.03415	1.1
82.39950	0.9
83.04978	3.7
85.02911	12.4
89.03934	1.7
91.05515	1.1
97.02888	8.2
109.15126	0.9
111.04462	2.5
115.03941	3.5
117.03374	7.7
120.08114	1.7
129.05472	1.0
130.06529	25.5
133.04991	1.5
142.06509	1.4
145.02847	23.7
146.06033	1.6
147.06544	1.1
149.06000	3.0
163.03793	0.9
164.07184	1.3
174.05534	2.7
175.06282	4.6
176.07085	6.1
177.05466	52.3
206.08128	18.3
233.10764	1.3
245.10765	2.2
248.09454	1.7
261.10190	1.1
263.08032	1.3
263.11832	2.1
269.34305	1.0
273.10257	2.3
274.11057	1.8
275.07791	1.2
275.11661	1.0
277.09805	1.0
278.10571	4.2
289.09766	2.6
290.10489	7.0
291.11319	2.5
292.11984	1.1
294.11307	3.2
305.12891	11.7
323.13898	100.0
324.14285	1.5
339.10687	12.3
365.15036	1.6
404.20081	1.0
434.01962	1.0
469.19739	1.8
516.01617	0.9
544.17908	2.9
601.22961	1.1
661.23932	26.1
807.29089	1.8
938.40656	3.7
939.43140	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	941.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.4
71.05027	0.5
73.02921	2.3
81.03426	0.4
83.04990	0.7
85.02930	1.8
89.03960	0.6
91.05512	0.4
94.66472	0.4
97.02908	1.1
119.04948	0.5
122.29625	0.4
135.04439	1.4
137.06017	1.7
145.02892	1.5
146.03210	0.7
155.03194	0.4
161.15572	0.4
163.03899	14.7
164.04225	7.6
164.05453	0.6
165.04402	3.0
166.04747	0.8
181.50468	0.4
195.04982	0.4
203.05383	0.4
221.02968	2.5
234.06598	0.5
239.04105	0.7
279.09805	0.9
287.07541	0.9
301.05698	0.7
301.08929	5.1
319.10046	1.2
321.09348	2.3
325.09103	1.9
326.09424	2.8
327.09760	1.3
328.10239	1.5
338.13406	2.0
339.14059	0.6
347.06580	0.5
375.09561	0.6
439.20468	0.4
481.13150	0.5
483.15015	1.2
501.13550	11.3
519.13403	2.1
541.25726	0.4
573.15265	0.7
599.19293	0.9
604.10022	0.5
647.19421	4.5
663.18561	8.1
671.64001	0.6
779.23486	6.9
780.23657	0.6
809.24628	1.1
941.28845	100.0
942.29150	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	941.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17316	0.4
69.03433	0.8
70.02947	1.1
70.06590	100.0
71.04972	0.5
71.06909	0.7
72.08151	7.0
77.01763	0.4
77.42863	0.4
83.04975	0.7
85.02908	2.7
86.09718	2.4
87.05592	1.5
89.03864	0.4
91.05477	0.9
96.08124	1.4
97.02906	0.7
97.07648	3.0
98.06054	1.5
98.09727	0.7
100.07661	0.5
102.05579	0.4
107.04969	0.6
110.59090	0.4
115.08707	0.8
116.07104	0.4
117.03461	0.6
120.08100	11.4
122.06022	0.5
124.11189	0.5
125.07109	18.5
126.05529	0.7
127.08670	0.8
130.06519	12.4
130.07426	0.9
131.03400	0.5
132.08110	2.6
135.04466	1.0
136.07565	5.4
139.08690	1.2
141.06616	0.5
141.10248	3.3
144.08098	1.3
145.02837	1.3
146.06047	0.5
150.05565	0.4
151.08687	0.8
151.18304	0.4
155.08104	2.3
158.09657	0.5
159.09167	21.7
162.09227	0.6
163.03889	7.5
167.08162	2.0
168.06561	1.0
169.07602	3.8
169.09735	2.3
169.13354	20.8
170.05995	3.9
175.06265	0.5
176.07121	0.8
179.11815	0.5
184.10851	0.9
185.10919	0.4
186.09088	0.5
187.08673	1.7
188.07059	0.5
188.10727	1.3
190.12262	0.6
195.07639	3.5
195.14934	0.7
196.06061	1.2
197.07071	0.5
197.12848	13.0
201.08694	0.5
202.39462	0.6
206.08089	2.7
206.12926	1.5
207.11279	0.7
208.10837	2.1
211.12257	3.0
212.10191	2.2
214.09767	2.0
217.13313	0.5
219.14984	0.7
221.12914	0.9
224.10292	1.1
233.12883	1.1
248.09421	0.5
249.12370	4.8
252.13509	2.0
256.10757	0.7
256.11298	0.8
256.14426	12.7
261.12579	0.7
266.15134	0.9
269.12500	1.8
273.13300	0.5
277.11780	3.5
281.12552	0.6
284.10345	4.5
284.13959	11.2
290.10635	0.8
293.16040	0.7
294.11615	0.7
294.14413	3.1
301.12952	2.3
301.16669	1.2
305.12952	2.1
310.21326	2.2
311.17163	2.9
312.09781	0.5
323.13895	12.5
324.19180	0.4
325.09055	1.0
344.19614	1.5
348.15503	2.0
353.16040	0.9
355.17511	1.1
370.18661	2.3
381.15555	0.7
381.25018	1.9
398.18216	18.3
424.19501	0.5
424.25488	0.9
431.23181	0.6
469.22025	3.5
473.23956	2.3
478.20935	0.5
495.23230	1.3
495.29642	1.2
516.22083	0.6
516.31897	1.2
544.27014	5.1
553.23328	0.7
561.24402	1.8
566.30609	0.9
577.27783	1.5
580.24628	0.6
587.27399	0.9
594.30328	4.0
598.26379	0.6
604.28668	0.5
613.29382	0.6
615.25977	0.8
620.32202	0.6
632.28204	1.6
641.34027	0.8
647.22394	4.5
648.31677	0.7
658.31964	1.4
665.34222	0.8
690.35089	0.7
700.31036	0.5
707.38470	1.9
728.32001	0.7
741.36163	0.9
761.39429	0.9
778.43073	2.2
799.39178	0.8
827.41333	1.3
828.40424	0.9
842.40094	0.6
852.42285	0.5
853.40533	0.6
870.43219	0.7
896.44165	1.6
913.46539	1.7
924.44159	5.1
941.46771	7.2
942.47083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54220	0.4
68.05031	0.6
69.03436	0.4
69.07076	0.6
70.02956	0.9
70.06585	100.0
70.66766	0.4
71.04987	0.5
71.06910	0.6
72.08152	6.7
74.67275	0.3
81.03416	0.6
83.04976	0.7
85.02901	2.5
86.09701	4.2
87.05579	1.5
89.03877	0.5
91.05473	1.2
96.08143	0.7
97.02888	0.4
97.07636	3.0
98.06062	1.2
98.09702	0.7
103.03982	0.4
103.05441	0.4
105.62820	0.3
107.04967	0.3
110.02361	0.4
115.08716	0.8
116.07071	0.6
117.05706	0.5
118.06574	0.5
119.04935	0.8
120.08101	4.9
124.11201	0.5
125.07101	20.1
126.05544	0.6
127.08646	0.5
129.05464	0.8
130.06519	11.6
131.03389	0.7
132.08084	3.3
135.04417	0.9
136.07567	10.4
137.07057	0.5
139.08675	1.3
141.06593	0.6
141.10210	2.2
142.06506	0.5
144.08081	1.5
145.02878	0.8
146.06044	0.5
150.05498	0.5
151.08670	0.5
152.07095	0.6
155.08125	2.0
159.09157	22.4
160.07571	0.5
160.09537	0.7
162.09088	0.4
163.02599	0.7
163.03879	6.0
167.08142	2.6
168.08038	0.4
169.07622	3.3
169.09790	1.6
169.13341	23.5
170.05980	3.4
174.05579	0.5
175.06261	0.4
176.07077	0.9
184.10834	0.5
185.10672	0.4
185.12813	0.4
185.16489	0.9
186.09128	0.5
187.08629	1.7
188.10722	2.3
190.12187	0.8
195.07674	3.2
195.14922	0.4
196.06061	0.9
197.12828	14.5
206.08015	2.2
206.12877	2.5
207.11337	1.3
208.10857	1.0
211.08765	0.4
211.12370	2.4
212.10233	2.3
213.16011	0.6
214.09840	1.7
219.14981	0.4
221.10927	0.4
221.12885	0.7
223.12071	0.5
224.10338	0.8
233.12695	2.1
235.10834	0.6
238.13533	0.7
239.08202	0.8
239.11743	0.4
240.11403	0.4
248.13840	0.6
249.12315	3.4
251.11601	0.5
252.13417	2.2
256.10757	0.6
256.11346	0.7
256.14426	13.1
259.14569	0.8
261.12393	1.0
266.15244	0.4
269.12497	1.1
273.28299	0.3
276.13239	0.5
277.11737	2.4
278.10703	0.4
281.12384	0.7
283.17584	0.4
284.10345	4.5
284.13959	12.1
290.10510	0.8
291.11169	0.4
294.11319	0.5
294.14520	3.1
297.11954	0.4
298.13190	0.4
300.13428	1.3
301.13013	2.0
301.16327	0.7
305.12909	1.7
310.21176	3.2
311.11444	0.4
311.17050	3.2
312.09885	0.9
313.49432	0.3
315.16876	0.4
322.13828	0.4
323.10065	0.8
323.13855	11.4
324.14175	0.6
325.09174	1.2
330.14307	0.5
332.16132	0.8
344.19702	0.6
348.15549	1.1
353.16040	1.4
353.25336	0.6
366.17776	0.4
370.18695	2.5
381.15424	0.8
381.24890	4.2
398.18167	17.7
399.18372	0.4
424.19983	0.4
424.25464	0.9
426.17752	0.6
431.22891	1.4
447.20074	0.5
469.21786	2.0
473.24155	1.1
478.20474	0.6
495.23419	1.6
495.29422	1.2
497.25055	0.5
508.21884	0.5
516.32092	2.5
526.26813	0.4
530.16742	0.5
544.21222	0.7
544.31989	5.3
558.95752	0.4
561.24524	2.7
566.30640	0.9
577.27496	1.8
587.26178	1.1
594.30261	3.9
598.26166	0.4
604.28870	0.9
613.33826	0.4
615.24957	1.7
624.75348	0.3
632.27997	2.9
641.34198	0.4
647.22443	3.6
658.34839	0.6
679.39612	0.7
690.35681	1.2
700.35016	0.6
707.38586	2.9
712.34552	0.9
728.33374	0.6
729.37195	0.4
730.47900	0.4
741.35992	0.4
745.35730	1.0
750.42365	0.6
757.36212	0.6
761.39508	1.4
767.37720	0.4
778.42529	4.4
779.42566	0.7
783.37415	0.5
811.37524	0.6
825.41803	0.7
827.42529	1.2
828.39990	1.2
853.41962	0.6
870.44122	0.7
896.46240	2.0
913.48730	2.6
924.44934	3.6
941.48309	7.4
942.47949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.9
69.03418	3.3
69.07069	0.9
69.16471	0.3
69.17308	2.2
71.01343	0.3
71.05013	0.7
73.02917	4.1
79.05505	2.8
81.03408	2.6
81.07053	3.5
83.04996	0.6
83.08598	0.9
85.02896	6.4
87.04491	0.5
91.03944	2.8
91.05492	1.8
93.07055	2.7
95.04979	1.0
95.08601	2.3
97.02889	5.7
97.03484	0.5
97.66273	0.3
98.22767	0.7
99.04463	1.2
101.02374	2.3
105.07037	1.1
107.08607	1.3
109.02899	1.1
109.10161	0.6
115.03960	0.4
119.08595	0.8
121.10166	1.3
127.03912	1.8
131.08598	0.7
133.10216	0.6
135.11682	0.5
145.04944	0.7
147.11777	0.5
149.09663	0.5
157.10193	0.5
175.11185	0.4
185.04231	0.8
193.12337	0.8
203.05327	1.1
243.08409	2.2
254.92105	0.3
280.73239	0.3
283.15125	3.1
339.17654	0.4
347.09470	3.0
363.09305	0.8
365.10764	1.2
405.13596	6.2
501.23010	4.8
519.29346	6.4
579.67670	0.5
663.28302	4.9
681.16699	0.4
681.34564	9.2
694.13019	0.4
770.05579	0.4
779.45959	2.3
941.50677	100.0
942.50989	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	942.583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43316	7.6
77.55286	6.4
86.09695	39.4
95.35108	8.4
101.30141	6.9
104.10744	88.3
114.22079	6.1
124.99979	20.0
166.21059	6.9
184.07332	100.0
189.97987	6.5
252.32693	7.7
302.05322	6.4
353.22574	7.5
381.47531	7.5
445.63736	6.5
496.33957	50.4
581.24310	7.0
734.98792	8.3
916.96252	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	943.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05043	0.9
70.06587	81.1
70.55119	0.9
85.07679	1.3
86.09699	21.3
87.05569	0.6
91.05486	2.7
95.06092	1.4
96.08066	0.5
97.07655	0.9
98.06062	0.5
107.04961	0.9
111.38229	0.4
112.08720	9.5
112.11273	1.1
113.07130	1.8
114.09143	0.5
114.10284	0.7
115.08675	4.6
119.04952	2.1
126.05449	0.5
130.62877	0.4
131.08142	5.5
131.08870	0.5
136.07576	29.7
140.08142	0.8
141.06676	0.6
143.08212	0.8
147.04422	0.5
157.10890	0.7
157.13368	5.9
158.09239	0.6
159.07649	8.3
166.09686	0.7
167.11829	0.8
169.09798	0.9
173.12831	0.8
181.09734	0.5
183.11386	2.8
183.14917	29.8
185.09294	1.6
185.12827	3.9
192.11333	2.2
194.12782	0.7
195.11331	1.5
197.09372	0.5
201.12343	1.2
207.11269	6.5
209.14012	1.7
209.16423	0.8
211.14409	15.9
212.10284	0.7
217.76570	0.5
230.11342	5.1
235.10793	2.4
237.13443	5.5
237.15726	0.7
238.11940	1.1
242.12897	1.1
244.09691	0.5
254.14967	4.9
256.12955	0.6
261.12402	0.9
272.15967	2.6
278.15182	0.6
280.16568	0.6
280.20416	0.7
282.18094	13.9
298.17715	0.8
303.14468	7.2
308.19928	0.5
322.22351	0.6
325.18713	1.4
343.19843	1.0
351.20401	1.5
367.27225	1.0
369.21347	1.0
374.18405	1.2
393.26053	1.4
395.26678	0.5
422.24100	1.1
506.34308	0.7
664.41907	1.0
762.59760	0.6
915.55096	0.6
926.51611	1.1
943.53442	100.0
944.53644	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	947.427
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06604	1.1
70.55231	0.7
76.10542	0.4
149.06958	0.6
161.06868	0.4
163.08409	1.7
180.65924	0.3
198.05481	0.5
209.35559	0.4
220.10728	1.1
237.09993	0.4
239.11702	1.4
267.11157	0.9
269.09030	0.3
275.11420	0.5
296.13647	2.6
296.34067	0.3
308.13913	0.9
310.11841	0.7
310.15149	4.8
310.18170	0.4
312.13330	0.8
324.13153	0.5
351.14240	0.7
352.16013	0.4
353.15796	0.7
365.16028	0.5
367.13223	0.7
367.17380	4.8
383.17084	0.7
402.17941	2.0
409.18625	0.5
411.20172	1.1
422.17929	0.8
424.19562	0.5
438.17755	0.4
443.20721	0.9
459.20096	2.7
468.22446	0.8
503.22928	0.9
516.22089	0.8
530.24054	1.2
540.22656	0.5
556.25299	0.6
606.27185	0.5
611.29443	1.6
627.29138	1.1
655.32288	0.5
668.31641	1.1
684.31525	0.9
712.33087	0.5
748.30847	0.8
774.35876	2.0
818.38074	0.6
831.38068	5.0
841.36072	0.4
857.40076	0.4
859.37335	5.6
875.39996	2.4
903.40265	3.9
914.57849	0.4
947.42633	100.0
948.43011	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	950.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.4
71.01331	0.7
71.04992	3.6
71.78251	0.3
73.02914	6.1
75.04458	0.5
79.20473	0.3
81.03393	0.8
83.04969	2.4
85.02900	7.8
89.03899	2.0
95.04980	0.4
97.02881	5.6
99.04442	0.7
103.03903	0.3
107.04913	0.9
109.02835	0.3
111.04419	2.0
115.03917	1.4
117.03381	4.5
127.03939	0.7
129.05467	1.8
133.04950	0.6
135.04422	3.0
137.05916	0.6
145.02838	14.9
147.06485	0.9
149.05969	1.0
158.09657	0.7
163.03889	28.9
164.04266	0.4
172.07562	0.9
174.05470	2.2
176.10643	0.4
177.05453	36.8
181.04922	0.7
186.09120	0.8
187.08827	0.3
188.10646	0.4
195.06502	0.6
197.07101	0.3
199.08636	0.8
199.12224	0.3
211.08640	0.8
212.09344	0.6
213.10234	0.9
214.10979	0.5
215.11768	1.5
216.12534	0.7
225.07776	0.5
225.10211	1.7
226.11084	1.4
227.11761	5.2
229.13179	0.3
239.11783	0.8
240.12555	0.5
241.09662	0.8
241.13333	0.8
243.11273	0.7
244.12093	9.3
253.09610	0.6
257.12958	0.6
258.10059	0.4
258.13623	1.7
259.13168	1.5
261.93430	0.3
269.12784	3.2
270.12439	0.7
271.10767	10.0
284.13898	5.7
285.12323	2.0
286.15466	0.6
289.11801	25.9
290.12158	0.4
302.14954	15.1
303.13120	1.7
307.08054	0.4
309.09381	0.5
313.11765	4.6
323.11148	0.4
325.09116	6.7
330.14447	6.6
331.12842	28.8
332.13104	0.8
339.10733	13.0
348.15503	100.0
349.15796	1.9
494.21085	1.1
510.20432	0.5
559.42163	0.3
672.23926	5.6
927.80450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.0
70.57446	0.2
71.01350	0.5
71.04990	3.2
73.02487	0.1
73.02911	4.7
75.04460	0.4
81.03400	0.8
83.04974	1.9
85.02898	6.1
87.04466	0.3
89.03909	2.1
91.03932	0.2
91.05466	0.3
95.04971	0.2
97.02883	5.4
99.04476	0.5
101.02363	0.2
101.06026	0.1
103.03919	0.3
103.05437	0.1
105.18794	0.1
106.04119	0.1
109.02859	0.2
111.04430	1.4
113.02319	0.1
115.03923	1.3
117.03368	8.0
119.04940	0.1
121.06490	0.1
123.04401	0.1
123.24486	0.1
124.05205	0.1
127.03907	0.7
129.05455	1.7
133.04956	0.4
134.03578	0.5
135.04382	0.7
137.05986	0.6
139.03885	0.2
145.02835	35.9
146.03154	0.4
147.04472	0.1
147.06502	1.2
149.05965	3.4
151.03801	0.1
151.07506	0.2
151.67796	0.1
153.05376	0.1
163.03889	1.2
163.05992	0.2
163.83304	0.1
165.05467	0.2
171.06548	0.1
177.05453	100.0
178.05794	1.4
179.07117	0.2
183.06561	0.1
186.05444	0.2
187.05969	0.2
191.07019	0.1
195.06491	1.8
225.07570	0.6
233.08208	0.1
237.24756	0.1
243.08583	0.4
247.09471	0.1
261.09760	0.2
265.10831	0.1
279.10831	0.3
288.06482	0.2
291.89307	0.1
304.05942	0.2
305.10266	0.2
306.07413	0.6
309.09500	0.7
321.09616	0.8
323.11273	0.8
325.09137	0.2
331.11765	0.4
339.10712	32.0
340.11060	0.6
450.11542	0.2
485.16336	0.3
493.16580	0.2
743.73950	0.1
890.24451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
71.01344	0.4
71.04986	3.0
73.02919	4.0
75.04469	0.5
79.05470	0.3
81.03400	0.9
83.04970	1.9
83.92059	0.3
85.02409	0.4
85.02901	6.8
87.04455	0.5
89.03908	2.2
91.05447	0.4
95.04932	0.6
97.02886	5.6
99.04453	0.6
107.04948	0.9
109.02826	0.4
109.98204	0.2
111.04449	1.3
115.03928	1.5
117.03374	3.5
123.04413	0.3
127.03874	0.6
129.05469	2.5
133.04961	0.8
135.04405	8.1
137.06003	0.4
145.02834	8.0
147.06506	1.1
151.07515	0.9
153.05412	0.3
163.03889	100.0
164.04260	1.7
165.05473	0.4
177.05461	3.3
179.07019	0.4
181.04941	2.0
225.07413	0.3
243.08612	0.3
248.93491	0.2
265.07178	0.3
272.65015	0.3
277.10785	0.4
279.10654	0.3
295.08112	0.9
307.08072	0.9
309.09698	0.6
309.84848	0.2
323.07770	0.5
325.09155	32.9
326.09592	0.6
330.73892	0.2
337.13879	0.3
339.10709	0.9
383.64258	0.2
424.43680	0.3
537.03369	0.2
579.74799	0.3
582.91229	0.3
934.10883	0.3
950.33643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03061	0.2
69.03426	3.5
69.20113	1.0
71.01341	0.6
71.04987	5.3
72.84769	0.1
73.02544	0.3
73.02914	3.8
75.04451	0.5
75.51960	0.1
81.03420	1.0
83.04971	3.2
85.02898	11.7
87.04452	0.5
89.03900	2.3
89.38705	0.1
91.03941	0.6
91.05464	0.3
95.04952	0.5
97.02882	7.4
98.22707	0.3
99.04432	0.8
101.02374	0.3
103.03918	0.2
109.02813	0.3
111.04437	2.2
113.05991	0.2
115.03918	2.1
117.03369	7.0
117.04204	0.4
127.03873	1.0
129.05458	2.6
133.04964	0.8
134.03630	0.5
135.04437	1.0
137.05981	0.7
139.03871	0.8
145.02834	32.0
146.03157	0.5
147.04413	0.2
147.06535	1.9
149.05948	2.9
151.03870	0.2
153.05449	0.3
157.04924	0.3
163.02498	0.2
163.03886	3.8
163.05981	0.5
163.07440	0.2
165.05490	0.3
169.05028	0.2
177.05450	100.0
178.05789	1.7
179.07001	0.2
186.05435	0.4
187.05928	0.2
195.06508	1.9
209.54872	0.2
225.07533	0.9
233.08017	0.2
235.13770	0.1
243.08638	0.9
251.09140	0.2
255.08658	0.2
261.09601	0.3
272.57498	0.2
273.09692	0.3
279.10825	0.8
287.09058	0.4
305.10144	0.4
309.09601	0.7
321.09488	1.0
323.11295	0.9
325.09213	0.7
331.11957	0.4
339.10715	29.1
340.11050	0.9
431.29355	0.2
434.17624	0.2
471.14865	0.2
485.16162	0.3
509.10593	0.1
557.55963	0.2
876.37250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.2
69.03065	0.3
69.03429	3.9
71.01349	0.6
71.04585	0.2
71.04989	5.6
73.02908	3.9
75.04482	0.7
81.03414	1.1
83.04977	3.1
85.02901	11.3
87.04457	0.5
89.03908	2.5
91.03951	0.9
91.05500	0.3
95.04960	0.4
97.02254	0.4
97.02887	7.6
99.04442	0.9
101.02374	0.4
103.03912	0.2
107.04944	0.3
109.02876	0.4
111.04439	2.3
113.05951	0.2
115.03928	2.2
117.03369	7.1
119.04967	0.2
126.09932	0.2
127.03872	1.0
129.05466	2.9
133.04941	0.8
134.03598	0.6
135.04428	1.3
137.05960	0.6
139.03886	0.5
145.02841	32.7
146.03178	0.8
147.06514	1.8
149.05971	3.2
157.05069	0.2
163.03896	4.1
163.06020	0.5
165.05518	0.4
169.04994	0.5
171.06419	0.2
175.07532	0.2
177.05458	100.0
178.05791	1.6
179.07057	0.5
186.05536	0.6
195.06516	1.2
225.07507	1.0
243.08606	0.7
255.08644	0.3
263.09183	0.3
279.10779	0.9
305.09988	0.3
309.09674	0.8
321.09698	0.7
323.11121	1.5
325.09268	0.7
331.11877	0.3
339.10718	29.1
340.10989	0.7
354.80817	0.2
367.37177	0.2
473.44708	0.2
475.82419	0.2
485.16373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.365
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	2.2
69.03423	1.5
70.06586	3.6
71.01343	0.6
75.67159	0.5
79.05505	0.9
81.03424	1.3
83.04469	1.5
83.04977	41.3
85.02899	100.0
86.03198	0.6
86.09713	0.6
87.04471	1.3
89.03908	2.1
91.05468	2.9
97.02882	2.4
99.04504	0.6
103.05462	0.6
103.43990	0.7
109.02834	0.6
111.03667	1.4
111.04436	27.4
115.05416	0.7
117.03381	5.5
119.04930	1.7
125.53314	0.5
127.03927	6.2
129.05473	12.8
131.04910	0.5
135.04442	1.0
137.05995	5.3
145.02843	17.4
145.03949	1.2
149.05988	2.3
151.07527	6.7
153.05467	1.9
161.05972	1.1
163.03886	2.6
163.07533	1.2
165.09111	1.4
171.06516	81.9
175.07533	7.4
177.05464	38.7
179.06992	2.4
187.07513	0.7
191.06970	0.8
193.08580	1.5
195.06499	0.8
205.08517	1.1
215.06895	0.8
217.08667	0.8
231.06505	0.8
231.08577	13.4
231.10675	0.8
233.07927	0.8
259.09521	3.0
271.09763	0.8
277.10760	1.3
299.12671	2.6
311.12741	0.7
339.10681	3.7
355.11859	0.8
407.13193	0.9
471.16077	0.7
495.16425	0.7
830.52448	2.8
852.50580	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	950.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.2
67.05797	0.6
69.03374	1.6
69.03701	0.4
69.07022	0.9
73.02859	1.2
74.28524	0.3
79.05429	1.1
81.03356	1.2
81.07005	1.7
85.02908	1.8
87.58406	0.4
91.03939	0.6
91.05463	3.1
92.05011	3.4
93.05736	0.8
93.06995	1.2
94.06522	1.0
95.04863	0.5
95.08603	0.8
96.04447	0.3
97.02831	1.7
97.06467	0.5
99.04395	0.5
101.02344	0.4
105.06998	0.7
106.06502	1.7
107.08559	0.6
109.10137	0.6
117.05770	1.7
118.06538	16.1
119.07229	1.3
119.08531	0.7
120.08109	1.7
123.34829	0.4
127.03910	0.4
130.06465	1.4
131.07253	0.5
131.08534	0.4
132.08070	2.4
133.10057	0.4
134.09590	0.4
144.08089	0.5
146.09602	0.6
150.09109	0.5
162.09140	17.2
163.09918	4.5
164.10657	0.6
167.01013	0.3
176.10727	2.1
202.15871	3.3
218.15448	0.8
221.02788	0.4
230.15390	28.8
232.17035	0.4
246.18491	0.7
248.16389	2.1
262.17929	1.5
267.15891	0.5
274.17984	1.4
292.19052	71.3
293.19269	2.0
304.18915	2.2
312.84177	0.5
318.20483	0.4
322.20142	0.6
332.22205	1.1
348.21573	2.7
391.29761	0.4
427.85513	0.4
432.23724	0.4
510.27243	3.1
541.35449	1.8
626.43719	2.4
672.31915	4.3
788.49341	6.6
828.81665	0.4
950.54669	100.0
951.54871	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	952.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.8
69.84023	0.5
71.01344	0.3
71.04639	0.2
71.04992	2.8
73.02908	1.5
75.04469	0.3
79.05486	0.4
81.03413	0.7
83.04980	2.6
85.02901	10.4
86.03213	0.2
87.04432	0.2
89.03910	1.9
91.03913	0.2
91.05427	0.2
92.48043	0.2
95.04956	0.5
97.02888	4.0
97.06538	0.2
98.22805	0.2
99.04445	0.6
103.03936	0.9
103.45315	0.1
107.04971	1.2
109.02838	0.5
109.74378	0.2
111.04436	2.1
113.02368	1.0
115.03913	0.3
116.05524	0.2
117.03371	2.3
122.07145	0.3
122.79345	0.2
123.04425	0.5
127.03870	1.0
129.05463	2.2
131.03407	2.0
133.02858	0.4
133.04935	0.2
135.04408	7.1
137.05980	0.7
139.03790	0.2
145.02849	7.2
147.06529	1.7
149.05905	0.2
151.07578	0.2
153.05446	0.5
153.09019	0.2
157.04961	0.7
163.03893	100.0
164.04269	1.2
165.05511	0.4
171.06468	0.3
175.05991	0.5
177.05424	1.6
178.05849	0.5
179.03346	0.4
179.07076	0.4
181.04977	1.9
186.05650	0.2
213.07487	0.2
221.08051	0.2
241.07024	0.4
252.59735	0.2
253.25044	0.2
259.08066	1.1
263.09210	0.3
277.09229	0.5
279.10608	0.3
304.12927	0.4
305.34061	0.2
307.08072	1.1
309.09525	0.4
317.10037	0.2
323.07584	0.7
325.09167	35.7
326.09586	0.7
339.10852	0.4
340.11038	0.3
353.08777	0.2
435.12900	0.2
455.11749	0.2
461.13849	0.2
471.15213	0.4
477.14001	0.2
479.14951	0.2
746.05048	0.2
823.03455	0.2
952.34113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91263	0.2
69.03429	2.6
71.01344	0.7
71.04990	3.2
73.02914	7.2
76.62815	0.2
81.03409	0.8
83.04974	3.0
84.04510	1.4
85.02898	9.9
85.03413	0.5
86.06078	0.3
87.04448	1.0
89.03911	1.6
97.02890	5.6
99.04425	0.4
99.35159	0.2
102.05527	1.1
103.03947	0.3
106.06532	0.6
107.04930	0.3
109.02853	0.3
111.04440	1.9
115.03934	2.1
117.03359	1.4
119.96065	0.2
127.03913	0.4
129.05466	1.7
130.04993	14.7
132.04408	0.6
133.04956	0.9
133.07654	0.4
135.04395	3.9
139.03845	0.3
144.08060	0.5
145.02859	3.0
147.06570	1.2
158.05959	0.3
161.07089	0.6
163.03894	35.1
164.04211	0.3
172.07533	2.2
175.08578	0.4
176.07108	0.3
179.08195	0.5
181.04973	1.3
187.08650	5.3
189.10208	6.7
189.11838	0.5
190.08682	0.3
190.10938	1.8
199.08702	0.8
200.07039	1.3
201.10255	0.9
202.10991	19.1
203.11769	16.7
204.12190	0.4
205.09734	0.5
206.10480	0.5
213.10266	0.7
215.11752	0.6
218.08121	0.8
220.12051	7.7
221.12831	19.5
225.07712	0.3
227.08147	0.7
227.11754	1.1
229.13315	0.3
241.13319	3.5
243.08714	0.3
245.12807	3.2
251.11743	1.0
259.14520	0.2
261.12341	0.5
269.12823	7.5
271.14563	0.3
286.15561	2.5
287.13803	2.7
287.70114	0.2
297.12320	5.0
300.11133	0.4
304.16522	2.7
305.14923	0.8
307.08026	0.7
315.13354	28.7
316.13721	0.8
325.09158	11.3
332.15979	5.5
333.14404	13.0
334.14880	0.3
350.17068	100.0
351.17307	2.9
375.85391	0.2
476.20706	0.5
482.21350	0.4
496.23096	1.3
512.22235	1.1
674.25421	11.2
675.25391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.2
71.01347	0.5
71.04978	1.9
73.02916	4.6
79.05464	0.2
79.63049	0.2
81.03423	0.5
83.04974	1.7
85.02896	4.5
85.74068	0.2
89.03913	1.3
97.02887	3.9
99.04460	0.4
107.04946	0.4
110.17944	0.2
111.04415	0.7
115.03918	0.6
117.03380	1.8
120.83000	0.2
127.03925	0.5
129.05437	0.9
132.04436	0.5
133.04979	0.5
135.04408	3.9
141.08293	0.2
145.02834	3.2
147.06549	0.4
154.43317	0.2
160.11217	0.3
163.03889	28.3
163.68570	0.2
164.04282	0.3
171.05438	0.2
171.06693	0.3
172.06279	0.4
173.07098	0.9
174.05473	1.6
174.07864	0.3
177.05418	0.3
181.04994	1.0
184.06281	0.3
185.07111	1.4
186.07883	2.3
187.08635	4.8
189.06520	0.3
199.08670	0.4
202.07341	1.9
204.08946	0.6
205.09703	4.8
213.06560	0.2
213.10338	0.3
218.09175	0.2
227.11771	1.6
228.12576	1.4
229.13411	0.4
230.06895	0.7
231.09996	3.6
241.13213	0.2
245.12833	16.3
246.13606	2.3
249.11046	2.6
259.14389	1.9
260.15256	0.4
269.12885	0.3
273.12335	1.5
286.15454	1.6
287.13892	0.7
291.13361	47.0
292.13788	0.9
304.16556	3.1
305.14932	2.3
307.08084	0.5
315.13318	0.8
325.09143	5.6
330.96661	0.2
332.16034	0.9
333.14410	47.2
334.14572	1.0
350.17059	100.0
351.17355	1.6
478.21762	0.3
479.19165	0.2
496.22714	0.8
512.22424	1.1
653.78864	0.2
674.25507	8.9
951.37524	0.3
952.39447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87268	0.3
69.03421	3.8
69.25622	1.6
71.01318	0.7
71.04991	2.6
73.02914	6.9
74.34193	0.3
81.03389	0.6
83.04984	2.7
85.02414	0.4
85.02899	6.9
87.04468	3.5
89.03910	1.9
97.02357	0.5
97.02890	5.6
98.23448	0.7
99.04426	0.7
100.98132	0.3
107.04940	0.4
111.04400	1.6
115.03899	1.3
117.03372	4.7
123.15756	0.3
127.03836	0.8
127.19808	0.4
129.05464	1.0
132.72826	0.3
133.04958	0.7
135.04395	1.2
139.03912	0.3
145.01689	0.8
145.02835	15.7
146.62054	0.3
147.06500	0.3
149.05943	1.9
163.03900	5.0
173.07094	3.7
174.05507	10.2
177.05453	29.4
178.05807	0.5
186.07843	2.0
187.08664	2.5
188.07051	1.1
191.08159	3.3
195.06543	0.6
205.09641	1.0
206.08130	0.6
213.10150	0.4
231.10052	0.4
233.09145	0.9
241.09668	1.3
246.09990	0.5
248.09052	0.8
250.11754	0.5
255.11176	0.4
259.10785	9.6
273.12378	1.1
277.11810	59.2
278.12091	1.1
283.10745	1.2
289.38025	0.3
291.13345	4.4
300.13306	0.4
301.11804	4.8
304.11841	2.5
318.14481	1.3
319.12863	44.8
320.13150	1.0
321.09601	0.5
325.09186	0.9
334.13840	0.4
336.15509	100.0
337.15854	1.5
339.10696	9.5
339.14734	0.5
350.17068	1.4
378.16678	0.7
462.18762	1.1
482.21317	1.1
498.20987	1.8
630.10168	0.3
647.19843	0.3
674.25525	24.6
675.25409	1.1
820.30902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01841	0.6
69.03075	0.2
69.03426	3.4
70.13811	0.7
71.01317	0.7
71.04984	3.2
73.02913	5.6
75.04438	0.2
79.05453	0.8
81.02973	0.3
81.03407	3.6
83.04617	0.2
83.04977	2.4
85.02899	5.8
87.00780	0.4
89.03908	4.8
91.05453	0.7
94.12900	0.3
95.04945	0.5
97.02883	5.6
99.04424	1.3
103.03903	0.4
107.04952	1.6
109.02180	0.3
109.02870	5.2
111.04420	0.8
115.03922	0.7
117.03376	5.9
119.04887	0.5
121.06502	0.7
125.77409	0.2
127.03906	3.5
129.05443	0.6
133.04971	0.5
134.30684	0.2
135.04407	13.4
145.02835	11.3
146.05969	0.6
147.06451	0.4
148.07567	0.4
151.06256	1.0
159.06789	0.3
160.07631	0.4
163.03889	90.4
164.04166	1.2
166.08635	5.8
169.66483	0.2
174.05533	1.4
175.06279	1.5
176.07040	1.2
181.04933	3.7
181.06432	0.4
186.05421	0.3
187.06235	1.0
188.07045	7.8
188.08682	0.5
189.07724	0.3
190.04897	0.3
202.08640	2.5
206.08104	49.5
207.08347	1.1
213.04057	0.3
220.09648	2.9
229.09682	1.7
230.08118	3.5
232.08511	0.4
247.10782	9.5
248.09163	71.9
249.09453	1.2
265.11813	100.0
266.12256	1.7
290.10132	0.6
307.07986	1.3
307.12836	0.9
325.09216	1.0
351.15503	0.6
367.10251	0.7
393.08093	0.4
411.09183	19.9
411.17847	0.8
495.16281	0.3
513.09570	0.4
513.17145	7.3
589.20416	1.1
630.61725	0.3
657.19641	0.3
658.17725	0.6
675.20233	32.4
676.20135	1.1
912.75085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05023	1.0
69.77045	0.4
70.06584	100.0
71.06914	0.7
73.11525	0.3
74.06072	6.4
80.04998	0.2
81.04546	1.0
82.05312	1.4
83.06088	5.4
84.04481	0.4
86.09695	3.2
91.05473	1.3
92.95986	0.2
93.04518	2.9
95.06087	2.8
98.06046	12.9
101.07140	0.4
103.05445	0.6
107.04964	0.8
108.08151	0.3
109.07654	0.7
110.07151	51.2
112.03954	0.3
114.05528	0.3
115.08687	0.6
116.07074	0.8
119.04937	0.5
120.05611	0.4
120.08098	6.1
120.08973	0.3
121.03949	0.3
122.07159	0.7
123.05578	0.4
124.01790	0.2
126.05499	10.1
126.09144	0.7
127.08656	0.6
133.10782	0.2
134.07124	0.6
135.09196	1.0
136.05113	0.4
136.07558	9.8
137.07082	0.8
138.06639	0.9
138.12764	2.9
146.06012	0.5
147.04329	0.2
148.07500	0.4
149.10744	0.4
150.06537	0.4
150.12917	0.3
151.12299	0.7
153.10237	0.8
155.08116	1.7
156.07735	0.9
160.07581	0.3
162.10248	25.4
163.03920	0.5
163.10724	0.3
163.42178	0.2
164.11850	0.3
165.10213	1.1
165.13899	0.6
166.06093	1.8
167.11775	3.7
167.15405	0.4
170.09689	0.8
171.11276	6.4
172.11200	4.6
174.09138	0.6
177.07751	0.3
177.10150	1.5
178.10992	0.6
178.13463	0.8
181.09698	8.8
183.14903	10.7
186.09167	0.3
188.10716	1.0
188.14394	0.5
189.11392	0.4
190.09776	2.1
193.09622	0.3
195.11269	7.2
195.13013	0.5
196.13283	0.5
198.12482	0.5
199.10765	6.6
203.08188	0.4
206.12918	0.4
207.12506	0.6
209.09256	0.3
211.14404	5.5
212.11856	0.8
216.13463	0.6
217.10886	2.1
217.13406	1.2
220.14531	0.4
228.11276	1.8
229.09579	0.3
232.14497	0.9
233.09293	0.3
233.16267	0.3
234.10022	0.4
234.12492	1.1
235.11862	9.0
237.12326	2.3
238.09850	0.4
238.12189	0.4
240.11356	0.7
243.15010	0.4
245.10565	0.3
245.12880	1.1
247.10818	0.4
250.15506	0.6
252.13374	2.6
255.12592	0.4
256.10785	0.5
261.12469	0.7
263.11407	0.7
268.16638	0.7
273.13425	3.6
275.10324	0.3
275.18750	0.4
278.14975	3.7
283.11780	0.3
284.10382	1.0
285.19711	0.3
290.14938	1.4
295.17889	0.4
296.16016	5.8
297.13449	0.4
301.12918	2.3
302.19711	2.0
308.19696	0.4
312.18185	1.2
313.18878	1.0
314.16125	0.4
316.16461	0.4
318.14453	0.6
330.19177	8.2
331.19675	0.4
334.17438	1.4
340.14166	0.7
341.18781	0.5
344.15976	2.1
348.20511	0.7
353.15930	0.3
358.21445	0.5
362.17188	0.8
366.15677	0.8
369.19269	0.4
379.19678	1.3
381.24072	0.3
384.16553	0.6
386.14539	0.4
387.20123	2.2
390.85400	0.2
396.18494	0.2
398.20801	0.3
402.17642	0.6
412.16302	0.6
413.21664	1.3
415.19626	1.2
429.03436	0.3
431.22787	3.6
432.23703	0.3
441.21301	1.3
449.26849	0.3
455.26590	0.8
459.22165	3.1
471.23663	1.0
476.25177	0.9
477.26010	0.4
495.27139	1.7
499.22974	1.3
568.28876	2.4
578.27380	0.5
596.28253	7.8
635.35583	0.3
653.36993	0.4
658.33551	0.9
681.37305	0.3
709.36127	0.2
715.36169	0.3
719.38147	0.4
743.35052	1.0
778.42535	0.5
798.41370	0.4
806.41644	1.2
816.42444	1.4
856.43237	0.6
907.47858	0.4
909.46826	1.0
917.46600	0.3
925.49213	7.2
926.49835	0.5
935.47559	3.9
953.48651	51.4
954.48853	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	954.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63210	0.3
69.03420	2.7
69.19555	1.4
69.19957	0.4
71.01346	0.6
71.04986	2.6
73.02917	4.7
75.04438	0.4
79.05451	0.3
81.03410	0.6
83.04984	1.9
85.02895	5.3
89.03895	1.8
91.05447	0.3
97.02882	5.3
98.22769	0.7
101.22785	0.3
107.04956	0.6
111.04407	1.2
115.03920	0.9
117.03370	2.6
118.06531	0.6
119.04914	0.5
119.07297	0.8
127.03889	0.4
129.05469	1.2
135.04413	3.6
138.04660	0.3
145.02849	5.7
146.06000	0.6
147.06645	0.5
149.05850	0.5
159.09169	1.1
160.07578	1.2
163.03885	28.5
164.04221	0.8
165.05449	0.3
166.08580	0.5
170.05971	0.5
172.07639	0.5
173.07074	0.7
174.05585	0.7
175.08537	0.5
176.07031	0.4
177.05450	5.3
178.08638	0.3
181.04993	0.8
185.07098	1.2
186.07870	4.0
187.06197	0.7
187.08655	8.0
188.07066	2.9
199.08672	0.6
201.10158	0.4
203.08189	1.2
204.08940	1.7
205.09703	7.9
213.06590	0.5
217.09723	0.6
219.11404	0.4
229.09717	0.7
231.07625	2.7
231.10016	4.2
233.09140	1.2
245.09283	0.5
247.10704	1.0
249.08710	21.8
249.11090	2.8
263.10269	1.3
265.11801	2.2
266.12112	0.9
271.10751	0.8
275.10178	1.3
279.09760	7.2
289.11700	0.9
291.09698	3.5
293.11285	21.1
294.11710	0.4
306.14499	0.9
307.08115	0.7
307.12766	0.8
308.12527	0.7
317.11316	1.2
321.10788	8.6
322.10934	0.5
325.09134	5.9
334.13986	1.4
335.12338	39.5
336.12570	0.8
338.13431	19.4
339.10760	1.6
339.14203	0.6
352.14987	100.0
353.15332	2.6
356.67319	0.3
484.19458	0.4
498.20728	1.7
514.20276	1.2
676.23291	9.5
677.23199	0.6
733.85864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65839	2.1
69.07072	2.6
69.23248	6.7
69.23670	8.0
78.55882	1.8
81.07052	2.3
82.06579	2.6
83.07336	12.0
84.11247	2.0
86.49539	1.8
87.92085	1.8
90.05318	2.0
91.44601	1.8
98.09684	97.5
104.36443	2.1
116.10719	100.0
125.27815	2.0
140.76007	2.1
196.07321	60.9
257.24228	2.4
313.27420	2.5
337.27588	10.4
383.73825	2.4
490.32858	6.3
507.18771	23.1
508.18939	24.1
508.33948	77.8
509.34302	4.0
762.53143	2.3
954.41516	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	954.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	65.7
69.03436	2.9
69.07064	17.7
69.17374	5.8
71.04990	1.8
73.02900	4.5
73.06542	1.2
78.17452	0.9
79.05489	42.0
81.07053	74.0
83.04977	2.2
83.08619	10.5
85.02896	22.0
85.06531	2.5
91.03954	14.9
91.05476	27.0
93.07039	55.8
95.04954	5.5
95.08601	62.2
96.08954	1.3
97.02894	11.7
97.06514	3.5
97.10173	4.8
99.04478	1.4
99.08089	2.0
105.04469	1.5
105.07027	24.5
105.56300	1.2
107.08588	33.2
109.06499	2.3
109.10152	29.2
111.08082	2.4
114.96411	1.0
115.03948	1.2
115.05428	0.9
117.07005	10.0
119.07747	1.5
119.08579	21.5
121.09262	1.8
121.10136	32.9
123.08062	2.5
123.11703	13.7
125.09621	2.4
127.03945	5.6
129.07027	2.8
131.08556	17.1
133.10124	19.4
135.11688	20.3
137.13268	3.2
141.15279	0.9
143.08530	1.9
145.04988	6.2
145.10126	14.5
147.11681	17.4
149.09683	1.3
149.13254	11.8
153.12772	1.0
157.10147	3.1
159.11685	14.0
161.13258	12.3
163.06015	6.1
163.14839	6.5
169.10046	1.8
171.11661	3.8
173.13249	9.7
175.14825	4.6
177.16351	1.9
181.10405	0.9
185.13275	3.3
187.14787	5.2
189.16359	1.1
194.51213	1.0
197.13287	1.1
199.14842	3.2
201.16362	2.7
213.16379	1.6
215.17900	1.7
241.19507	4.4
243.21135	5.6
259.20532	7.2
261.22122	22.5
263.23630	2.5
279.23157	1.1
299.23914	1.7
317.24683	4.3
333.24203	9.9
335.25781	100.0
336.26108	2.1
337.27374	13.5
365.17740	1.0
425.34033	1.0
503.42627	1.6
521.43268	2.8
595.47144	17.3
596.47821	1.2
613.39441	1.4
613.48370	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	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	24.4
70.85834	9.4
80.73169	9.2
81.07045	24.2
85.02884	11.0
95.08601	17.1
107.08594	14.8
108.89109	8.7
145.10115	8.0
148.27602	8.2
163.14729	11.4
174.75105	10.8
196.72008	8.8
201.16434	9.6
212.78505	8.5
260.65567	9.0
261.22192	20.6
333.24100	11.1
335.25800	100.0
337.27328	17.3
386.25803	10.7
412.06088	10.4
595.47235	18.9
613.48108	24.8
765.14368	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	955.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.2
69.03426	1.3
69.07078	1.9
69.75211	1.0
70.06572	1.6
79.05491	1.5
81.03394	1.9
81.07052	5.0
85.02893	2.6
93.06955	1.2
94.06548	2.8
95.04961	2.4
95.08593	1.8
97.02885	3.8
112.03989	4.2
112.07648	1.1
117.03335	1.0
118.06534	1.6
122.06026	12.4
123.11701	2.1
124.07583	6.4
140.07057	37.4
144.04417	2.0
145.02739	1.1
146.05998	12.8
148.07585	2.0
152.07045	1.0
160.03764	0.9
162.05537	2.0
163.03864	2.9
169.12372	0.8
172.03932	20.2
174.05502	16.1
176.07140	6.7
177.05431	1.9
186.63773	0.9
190.04945	6.1
191.05753	1.4
192.06567	2.5
192.08235	1.2
197.10794	1.4
199.12283	0.9
204.06566	32.3
206.08093	10.4
209.15346	1.8
210.09210	1.0
211.08617	1.7
211.12384	1.2
212.09471	1.3
216.09941	0.8
222.07605	1.5
224.09360	1.7
225.10233	5.3
227.11755	9.4
237.10175	2.4
239.11710	4.4
241.09714	1.4
241.13414	1.0
243.11429	1.0
249.10303	1.2
250.10999	1.2
251.11942	1.6
253.09738	2.7
261.12369	1.9
265.09653	3.5
265.12982	0.8
266.10645	1.0
267.11273	2.2
269.12842	7.0
270.54724	1.0
271.10803	4.3
277.09814	2.2
279.11041	1.5
283.10767	7.2
284.11490	5.7
285.12402	4.8
287.13885	16.7
295.10800	2.5
297.12430	3.6
300.12311	1.1
301.12109	3.1
302.12704	1.5
302.16742	1.1
309.12344	1.1
311.14319	1.2
312.15015	1.2
313.11816	8.5
314.12897	2.2
315.13663	2.0
316.14536	4.2
321.08273	1.1
323.10419	1.2
325.11908	1.2
326.12762	1.1
328.14481	2.3
329.11533	3.1
329.14890	1.7
330.12421	1.7
330.15933	5.5
331.12830	5.7
331.16815	7.1
332.17374	2.2
334.09250	1.4
336.10727	1.4
342.12326	5.5
342.16080	1.0
343.13220	4.1
344.14017	1.4
344.17517	5.0
345.14462	30.5
346.15140	1.2
356.13925	3.3
357.14871	3.2
358.15552	8.3
363.15475	3.1
365.11377	1.1
366.11902	1.7
367.13052	1.4
370.11469	1.8
370.15475	4.1
371.16327	1.8
372.16803	4.2
382.11786	1.7
383.12729	2.3
384.13358	11.7
385.14038	2.9
386.14743	3.7
386.18860	2.4
388.16354	2.5
390.18161	5.3
392.19400	1.5
395.16132	1.0
398.14957	12.5
399.15793	22.0
400.16556	30.4
402.14172	2.1
412.16351	2.4
414.18329	5.1
416.16016	3.0
417.16870	8.2
418.17639	9.8
430.17642	2.4
431.18246	1.9
440.15881	5.2
441.16443	2.8
442.17569	1.6
444.15793	2.0
445.15271	1.0
457.15918	1.3
458.17072	21.6
459.17813	12.3
460.19034	1.6
475.17090	33.2
476.17761	1.2
490.19446	2.0
491.20224	1.7
493.17957	9.7
507.19525	3.5
529.29370	0.9
599.24976	43.0
600.24689	1.5
620.21875	1.7
631.27747	8.5
725.27643	1.2
743.28345	3.2
761.30212	100.0
762.30554	6.7
793.32886	18.5
794.31934	1.3
887.32935	1.4
905.33838	2.5
923.34363	2.3
944.24146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.2
69.03418	3.2
69.07059	2.4
70.06596	1.5
81.03395	1.3
81.07047	2.5
84.93405	0.9
85.02893	3.0
94.02941	1.0
94.06553	4.4
95.04947	2.1
97.02897	1.1
106.06503	1.0
108.08087	1.3
112.03962	4.0
112.07574	1.1
117.03349	1.3
118.06514	1.4
122.06024	14.7
124.07577	8.2
134.06000	1.2
136.07559	2.1
137.05910	1.8
138.05469	1.7
140.07043	37.7
142.08575	1.1
144.04451	2.0
145.02814	1.7
145.05168	1.0
146.05988	12.3
148.07533	2.7
151.84477	1.0
162.05446	2.4
163.03833	3.2
172.03929	16.3
174.05513	14.9
176.07013	6.7
177.05438	2.0
181.04965	2.6
190.04973	9.0
192.06520	2.2
197.10645	2.2
199.08742	0.9
199.12276	1.5
204.06522	30.4
206.08086	11.7
209.10564	1.0
211.08498	1.2
212.09213	1.0
213.10184	1.5
214.10912	1.0
223.08730	1.3
224.09364	1.9
225.10165	5.2
227.11757	9.6
237.10226	2.9
238.10974	2.4
239.11812	3.4
241.09697	2.0
249.10190	1.8
250.10786	0.9
251.11841	2.8
253.09663	3.0
261.12399	1.3
263.11774	1.6
264.09146	1.3
265.09702	3.5
265.13129	1.2
267.11279	3.3
269.10196	1.5
269.12787	8.9
271.10657	3.2
277.09695	1.9
279.11188	4.0
283.10739	9.1
284.11450	7.1
285.12436	4.6
287.13873	17.1
291.11246	1.2
295.10809	1.9
297.12280	4.9
301.12064	2.1
309.12216	1.4
310.13483	1.1
311.10336	1.4
311.14038	1.6
313.11752	10.0
314.13040	1.7
316.14523	6.0
323.10184	1.2
323.13943	1.2
325.11969	1.1
326.16537	1.9
328.14499	2.5
329.11490	3.9
329.15369	2.6
330.12204	2.6
330.15979	5.4
331.12802	9.0
331.16721	7.0
332.17410	1.4
337.11697	1.6
342.12463	5.8
342.16037	1.4
343.13181	3.3
344.14056	1.8
344.17517	5.7
345.14417	35.1
346.14822	1.6
355.13437	1.3
356.13950	3.7
357.14789	3.9
358.15543	8.8
363.15518	4.2
365.11722	1.3
366.11844	1.9
368.13788	1.4
368.17841	1.2
369.14636	2.1
370.11621	1.8
370.15604	2.9
372.16928	4.6
380.13812	2.4
382.11749	3.8
382.16034	2.1
383.12405	2.4
384.13248	8.3
384.17044	1.0
385.14044	4.4
386.14508	6.0
386.18094	1.4
386.19110	2.2
388.16644	1.4
390.18106	5.8
391.18622	1.5
397.14612	1.5
398.14944	13.3
399.15704	22.8
400.16495	32.5
401.16928	1.6
402.14175	2.4
402.18860	1.3
403.18979	1.8
412.16284	1.8
414.18146	6.5
415.18668	2.1
416.16089	3.5
417.16797	6.7
418.17606	9.2
430.17380	4.5
431.18289	2.4
440.16086	6.1
441.16574	1.8
444.15424	3.4
458.17065	22.9
459.17749	10.1
460.18393	2.9
475.17050	36.0
476.16965	1.4
490.19449	2.9
491.20346	2.2
493.17981	8.6
494.18130	1.1
507.19623	3.1
510.22278	1.6
557.23822	2.0
581.23413	3.5
599.24939	56.7
600.24957	2.4
620.22211	1.9
631.27557	15.9
719.28613	1.7
743.28809	3.1
761.30121	100.0
762.30603	6.8
793.32867	13.6
905.33966	1.6
923.33881	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	956.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05010	0.8
68.90086	0.8
70.06585	100.0
71.06873	1.5
74.06095	1.2
84.04527	0.9
91.05495	1.3
98.34348	0.9
103.05447	1.2
104.54945	0.9
105.77039	0.9
114.05485	1.1
120.08093	31.1
126.09149	4.2
130.04979	1.0
130.06497	1.0
135.87456	0.9
136.07573	11.3
141.09108	1.2
141.10210	18.6
145.02780	1.0
148.07600	0.9
153.10236	1.6
169.09715	18.7
171.11281	4.0
172.11208	1.5
177.05420	1.4
181.09741	2.9
191.11899	1.4
194.37311	0.9
195.11179	1.0
199.10753	2.5
209.09196	1.3
217.13336	23.7
221.12784	1.4
231.11108	0.9
245.12808	11.0
252.13423	1.4
265.11755	1.2
270.14459	2.4
283.14413	2.2
285.98190	1.0
316.16528	3.0
323.13901	1.3
328.16376	2.1
346.17667	2.2
399.20230	3.5
408.19287	2.9
417.21341	5.3
463.46997	1.0
481.24255	1.1
491.22711	2.8
500.24634	1.0
509.23907	6.4
518.25867	2.2
592.27008	1.4
610.27960	1.3
656.29651	1.2
677.33405	1.4
806.38379	1.3
824.39111	2.4
841.68433	1.1
881.42310	1.9
889.41107	1.7
897.44409	2.2
907.26257	1.2
907.43414	20.0
925.27606	1.2
925.44440	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	957.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.9
69.15414	6.9
69.68668	1.0
85.02881	1.6
85.85561	1.0
87.04175	0.9
93.05756	1.0
94.06567	4.3
98.23384	1.8
103.44217	1.0
104.34717	1.1
108.08132	1.9
120.08100	1.5
122.06024	16.4
124.07586	1.6
134.06006	3.7
136.07562	11.1
138.09116	1.9
140.07085	2.9
146.05977	2.7
148.07570	2.1
162.05495	1.5
164.07037	8.6
166.08630	6.7
174.09212	1.0
190.05014	1.4
211.12305	1.1
213.10172	1.9
221.10767	2.9
222.09421	1.0
222.11552	3.8
223.08603	5.1
223.12341	4.0
224.13057	2.0
225.10179	14.6
225.13684	1.2
227.11728	2.1
234.11491	1.1
235.08655	4.0
235.12344	3.8
236.09381	2.3
236.13062	2.8
237.10187	10.2
237.13846	7.1
238.10930	6.7
239.11841	8.0
240.12471	1.2
247.12399	1.6
248.09462	3.9
249.10194	18.4
249.12999	1.1
249.13992	1.5
250.10985	17.5
251.08141	9.2
251.11798	38.6
252.12480	7.7
253.09546	1.2
253.13376	6.9
254.10722	1.4
254.14081	1.5
255.14801	1.4
261.10257	1.2
262.11060	1.7
263.07986	1.5
263.08618	1.8
263.11771	33.6
264.09528	1.3
264.12527	28.6
265.07260	1.9
265.09769	14.0
265.13351	55.7
266.10556	6.5
266.13928	8.0
267.11298	3.0
267.14899	7.8
275.11713	2.7
276.12692	1.5
277.09735	12.7
277.13321	2.7
278.10455	5.4
279.11230	17.7
280.12048	2.6
281.12775	9.0
282.13486	1.3
283.10776	12.8
283.13885	1.9
284.11707	1.1
291.11258	9.6
292.11984	3.6
293.09427	1.7
293.12802	25.2
294.10522	1.9
294.13635	11.7
295.10764	8.9
295.14359	5.9
296.11545	11.7
297.12350	9.5
298.13263	1.2
305.09055	1.7
306.09964	1.4
307.10590	1.6
309.09494	1.1
309.12302	59.5
310.12979	7.4
311.13858	84.8
312.14389	3.8
319.10742	8.6
319.14151	1.7
320.11493	5.5
321.12277	13.9
323.10306	2.2
323.13855	1.5
324.10989	10.1
325.11786	5.1
336.14688	1.4
337.11792	66.7
338.12527	30.0
339.13358	96.9
340.13760	3.1
341.15112	1.3
344.13763	2.0
351.13159	1.5
353.15088	2.1
356.13589	2.3
357.14444	7.0
359.15909	1.1
360.17105	1.5
369.14429	84.4
370.15057	7.1
371.15982	100.0
372.16516	6.5
386.18741	5.1
387.15765	1.5
388.20367	1.7
404.19476	1.8
414.17953	7.8
416.19650	16.9
432.19159	27.4
442.17484	8.1
450.20645	1.3
452.21759	1.7
460.18646	95.1
461.18994	4.8
462.20163	3.7
478.19766	2.4
480.21274	62.9
481.21771	2.8
492.21268	92.7
493.21436	3.3
510.22052	1.3
515.20313	1.4
533.21033	1.3
557.27478	2.2
583.25031	2.1
601.26544	80.3
602.26593	4.5
604.22687	4.2
614.27130	1.9
618.24805	1.2
622.23914	3.6
624.25482	2.1
633.28979	12.8
636.24725	2.3
640.24872	1.3
641.25525	2.0
642.26508	67.4
643.26947	2.5
654.26270	3.0
672.26849	1.3
719.32037	2.9
727.29218	2.7
745.30438	4.1
763.31824	41.1
764.32043	2.1
795.33612	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	957.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.9
69.07015	0.5
94.06566	2.3
98.23503	0.8
108.08056	0.6
120.08053	0.9
122.06015	6.4
132.48260	0.4
134.05966	1.1
136.07565	4.7
138.09087	0.8
140.06999	1.5
143.67252	0.4
146.05927	1.0
148.07552	1.0
152.07004	0.3
158.09610	0.4
164.07054	5.2
166.08635	3.2
172.07477	0.3
174.05400	0.6
174.73128	0.3
204.06520	0.4
206.08139	0.5
206.80087	0.4
209.10587	0.4
211.08554	0.5
222.11455	1.1
223.08627	2.1
223.12288	1.1
224.13062	0.6
225.10201	8.3
225.13753	0.9
227.11676	0.6
234.11459	0.5
235.08665	1.3
235.12312	1.1
236.09378	1.6
236.12852	0.4
237.10201	2.8
237.13794	2.5
238.10965	3.8
239.11749	3.9
239.15359	0.4
240.12494	0.8
247.12279	1.1
248.09450	1.6
249.10194	3.7
250.10941	6.7
251.08124	3.8
251.11751	15.8
252.12602	3.0
253.09764	0.4
253.13351	1.8
255.11446	0.6
255.14981	0.5
263.09436	0.3
263.11761	13.3
264.12503	3.0
265.09796	3.3
265.13309	23.4
266.10547	1.0
266.13953	1.5
267.11377	0.8
267.14899	3.2
268.55194	0.4
269.12762	0.7
275.11725	0.6
276.10178	0.5
277.09674	0.7
278.10471	2.4
279.11249	7.3
280.12057	0.7
281.12805	3.2
283.10770	6.8
283.14023	0.4
285.12399	0.5
287.13971	0.5
291.11203	3.4
292.12094	0.9
293.09302	0.6
293.12817	7.2
294.10880	0.4
295.10757	1.3
295.14075	0.8
296.08215	0.4
296.11548	6.9
297.12280	4.0
298.13147	2.0
309.12286	27.9
310.12988	3.3
311.13849	30.9
312.14294	0.7
319.10843	0.8
321.12357	0.6
323.10229	0.9
325.11786	0.9
337.11789	7.6
338.12595	2.3
339.13370	6.6
341.15204	0.5
342.16147	0.5
344.13876	1.1
345.14307	0.7
351.13461	0.6
353.14917	1.2
355.16696	0.6
356.13681	1.0
357.14471	0.6
359.16360	0.7
369.14417	56.9
370.15070	5.5
371.15982	64.8
372.16705	2.2
385.17938	0.5
386.18399	0.7
387.15689	0.8
400.16415	0.6
414.18259	1.3
416.19595	1.3
432.19168	5.4
442.17587	1.1
460.18591	6.1
474.20050	0.5
478.19775	0.7
480.21362	2.1
492.21243	100.0
493.21512	2.9
494.22659	0.6
510.22147	1.3
511.22806	0.9
512.24072	1.8
601.26483	4.8
615.28430	0.8
633.29114	40.4
634.29248	1.6
636.25110	0.8
654.26648	1.3
672.27625	0.4
699.17096	0.4
763.30988	1.3
777.32117	0.4
795.34583	3.3
903.03949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.7
69.03427	6.0
70.06586	2.3
71.04990	4.0
71.43273	1.1
73.02913	6.8
79.05485	1.3
81.03416	3.8
83.04987	3.5
85.02906	9.2
87.00848	1.4
89.03917	5.1
90.04221	1.3
93.07040	1.3
94.06571	3.9
95.04991	1.5
95.08647	1.1
97.02884	9.3
98.03222	1.3
99.04439	1.5
107.05003	1.1
108.08106	2.2
109.02877	8.1
111.04481	1.6
117.03366	4.6
122.06031	12.0
127.03916	7.6
134.06065	2.4
135.04414	12.7
136.04741	2.6
136.07594	7.9
140.07053	1.6
145.02844	12.3
146.03230	2.4
146.06111	1.5
146.09625	1.6
147.06453	1.1
148.07552	1.7
163.03894	100.0
164.04231	25.5
164.07042	8.4
166.08649	4.5
168.93015	1.2
177.05458	3.5
181.04919	12.6
182.05263	2.3
190.05046	1.2
208.04308	1.6
210.11502	1.3
219.28735	1.1
222.11546	2.1
223.08640	2.7
223.12354	2.8
224.13019	1.5
225.10170	11.9
225.13786	1.4
227.11856	1.9
235.08621	2.7
235.12279	3.1
236.09517	1.7
236.12926	1.4
237.10269	5.3
237.13921	2.5
238.11015	4.6
239.11821	6.6
241.09772	1.6
247.12180	1.4
248.09424	1.1
249.10156	9.8
250.10861	12.0
251.08141	5.4
251.11768	25.2
252.12576	5.0
253.13326	3.6
263.11774	22.9
264.09607	1.7
264.12558	17.3
265.09790	8.5
265.13376	39.6
266.10571	3.0
266.14081	3.7
267.11401	3.3
267.14990	3.9
276.10080	1.9
277.09796	6.7
277.13412	2.1
278.10519	3.2
279.11276	13.0
280.12030	2.1
281.09317	1.4
281.12857	5.3
283.10870	8.7
291.11288	5.0
292.11987	2.8
293.12817	16.5
294.13754	5.4
295.10818	5.9
295.14484	3.4
296.11530	8.7
297.12265	5.1
298.13260	1.9
299.13821	2.0
309.12277	42.9
310.12997	4.4
311.06827	1.8
311.13861	52.7
312.14532	2.9
319.10742	5.7
320.11536	2.7
321.12314	7.8
324.11038	4.7
325.11887	2.4
327.13538	1.2
337.08698	1.0
337.11801	41.6
338.12515	17.1
339.13361	65.3
340.13696	2.8
351.13754	1.5
353.14835	1.6
357.14471	5.6
358.15372	1.2
363.66824	1.2
369.14420	53.4
370.14993	4.4
371.16013	76.9
372.16611	3.7
381.14874	1.2
387.16010	1.6
411.09192	32.8
412.09555	26.2
414.18011	4.4
416.19629	9.7
432.19171	14.8
442.17722	5.6
460.18677	57.2
461.19052	2.1
462.20425	2.1
478.19839	1.6
480.21265	100.0
481.21558	4.0
492.21274	63.8
493.21417	2.6
510.22412	2.9
512.24048	2.0
515.20190	2.2
533.21228	2.0
557.27673	2.6
583.25592	2.5
601.26514	86.2
602.26984	3.2
633.29138	17.5
636.24994	3.3
642.25787	1.9
654.26416	3.6
763.31372	2.7
987.50586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	0.7
69.07061	0.3
70.02951	0.7
70.06585	100.0
71.06905	0.5
72.08148	4.4
74.06052	0.1
75.02687	0.2
82.06575	0.4
84.08116	0.2
86.09697	2.8
87.05563	0.2
88.03984	0.6
91.05456	0.7
96.08102	0.6
98.02411	0.1
98.06048	1.2
98.09666	0.3
103.05476	0.4
104.05318	5.5
105.07055	0.3
110.09689	0.1
112.07581	0.9
112.11243	0.3
113.07082	0.2
114.05521	0.3
114.09142	0.3
115.05047	0.5
115.08664	0.8
116.03422	0.1
116.07081	0.6
120.08091	14.4
124.07592	0.3
124.11221	2.5
126.05524	0.9
127.08683	0.3
130.06857	2.3
131.08170	0.6
131.53378	0.1
132.08105	0.3
133.96872	0.1
138.12735	0.6
139.05035	0.2
139.08661	1.1
141.06589	1.5
141.10225	0.9
142.08563	0.1
146.09636	0.6
148.07587	0.3
152.07013	0.7
153.10258	0.3
155.08128	0.2
157.06102	1.1
157.09731	0.2
158.06354	0.3
158.09654	2.4
159.07642	0.9
167.04497	0.2
167.08165	2.0
167.11801	0.2
169.09697	1.4
169.13417	0.4
172.11386	0.2
174.12845	0.3
175.07188	0.5
175.09012	3.1
179.11835	0.1
181.09874	0.1
183.14912	8.6
184.10886	0.3
185.05615	0.4
185.09222	0.6
187.10754	1.2
195.11363	0.6
196.06065	0.3
197.09129	0.3
197.12895	0.4
198.07645	0.1
199.12361	0.2
201.10536	0.2
203.06627	0.9
203.08536	2.1
203.11751	5.7
206.09988	0.5
208.10895	0.2
211.14400	3.7
213.05165	0.3
213.08818	0.3
214.60004	0.1
215.10152	0.3
217.13336	32.8
218.13692	0.4
221.16438	0.3
224.10403	0.1
227.11855	0.2
229.10007	0.2
229.33488	0.1
231.11349	0.3
236.10229	0.2
237.19525	0.1
238.11993	0.3
243.14993	0.2
245.12831	21.1
246.13213	0.2
248.10268	0.1
251.12085	3.1
251.14500	0.2
256.09259	2.1
256.12872	0.8
259.14456	0.2
262.15439	1.0
264.09659	0.3
265.19135	0.2
267.13376	0.3
269.12900	0.2
271.18005	0.3
272.10593	0.4
274.10315	1.4
277.13828	0.2
279.11603	1.3
280.16708	0.2
282.10852	0.2
284.12473	0.3
287.14194	0.2
290.11765	0.6
294.11075	0.2
294.14557	0.1
295.12961	0.4
297.12369	0.3
302.13510	0.5
305.13379	0.2
308.19669	0.6
312.12204	0.2
312.15573	0.5
314.15024	0.5
314.18317	0.1
316.16556	0.6
332.16037	0.2
340.20407	0.2
342.18051	0.7
345.17664	0.4
348.17453	0.3
350.15167	0.3
352.16620	0.4
353.14334	0.2
355.16418	0.1
358.21426	0.2
371.15527	0.3
371.20526	0.2
373.17355	0.7
376.16904	5.2
377.17722	0.2
383.16672	0.1
385.18619	0.2
387.13260	0.3
393.19437	0.4
399.18567	0.6
403.19980	0.2
404.26297	0.1
405.14545	0.6
411.18451	0.4
419.21381	0.8
425.24075	0.2
427.26904	0.3
428.16394	0.2
428.21671	0.2
447.20584	4.8
455.26587	1.6
458.24136	0.2
470.22604	0.4
472.29205	0.2
473.22025	0.5
476.21722	0.3
484.27951	0.3
486.20108	0.2
499.20166	0.2
504.21304	0.7
506.24353	0.3
507.19025	0.2
508.24081	0.2
510.30545	0.4
512.27228	0.4
516.22656	1.0
534.23920	2.4
542.20441	0.3
544.25763	0.5
546.25098	0.2
558.31061	0.5
565.29474	0.2
581.34711	0.2
583.30731	0.9
585.24982	1.3
586.30603	1.5
603.24780	0.7
606.26276	0.4
613.24268	2.1
614.24103	0.2
617.29132	0.2
621.32263	0.3
629.34338	0.4
631.25403	2.3
633.26617	0.2
649.26422	8.1
650.26605	0.3
651.27417	0.2
657.34198	1.8
659.28925	0.2
661.29468	0.2
672.33258	0.4
700.30829	0.2
702.32819	0.5
710.29144	0.4
712.30798	0.2
714.34753	0.5
720.33759	1.8
726.35437	0.4
730.32251	2.2
744.37811	0.6
746.31744	0.5
748.33173	6.2
749.32916	0.3
795.38171	0.6
813.39490	0.7
816.39301	0.3
823.38672	0.6
827.40619	0.3
841.39075	0.8
845.38428	2.7
846.38971	0.1
859.40094	4.8
860.39362	0.3
861.41028	0.1
912.45007	0.4
930.47418	2.3
940.45978	1.0
958.46838	6.3
959.47058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04998	1.1
69.03426	0.6
69.58712	1.4
70.06586	100.0
73.02914	1.2
74.06073	3.0
81.03400	0.5
82.06592	1.0
85.02892	1.0
85.07678	0.8
91.05486	0.9
92.33965	0.5
95.01686	0.4
95.06100	1.5
96.08124	0.5
97.07618	3.3
98.06040	6.6
98.22747	0.8
99.09206	2.2
100.07614	1.3
103.05480	0.8
112.08721	6.4
113.07117	7.8
114.10256	0.5
115.03986	0.5
115.08681	5.2
116.07117	1.1
120.08099	12.9
124.08749	1.2
125.07102	2.4
126.05508	5.1
126.09175	0.5
130.06514	0.5
135.04413	0.8
139.08733	1.0
139.09785	0.5
140.08218	1.6
140.14317	0.5
143.08182	1.8
145.02893	0.9
151.12370	0.9
153.10307	0.4
154.58304	0.4
155.08145	1.1
157.10919	0.5
158.09692	0.5
163.03926	4.6
164.11940	0.4
166.00926	0.5
166.13399	1.0
167.08232	1.5
167.09447	0.5
167.11789	3.6
168.07793	0.6
169.03429	2.2
171.11255	5.5
172.11201	3.1
177.10286	1.6
181.09686	4.1
185.10371	8.4
192.11327	1.5
193.07162	0.5
193.14571	1.3
194.12881	6.0
195.07611	0.7
195.11269	13.9
196.06148	0.8
198.98793	3.2
199.10725	3.5
199.99596	0.5
200.10866	0.6
209.14084	1.0
212.13873	2.0
216.15045	0.8
217.13426	1.8
218.16518	0.4
221.12979	1.5
225.99950	0.6
227.02290	0.9
227.11823	0.9
233.87437	0.5
237.13435	9.8
242.12831	0.4
244.00972	0.9
244.14537	1.6
245.13017	1.3
247.10037	1.3
252.13493	1.2
254.16096	13.2
255.16505	0.5
259.15549	3.6
276.18561	0.5
278.15137	1.2
282.06323	0.9
287.15140	0.6
293.12573	0.4
296.15945	2.4
300.07361	1.4
302.15118	0.5
321.11951	3.0
328.16571	1.2
332.17249	0.7
334.19025	0.6
335.13672	0.5
338.12436	0.6
341.20117	0.6
345.74487	0.5
346.17847	0.6
356.13818	1.2
356.20984	1.1
364.15292	1.2
371.20990	0.6
373.23282	2.2
384.13156	1.9
398.15237	0.4
399.20602	0.7
401.23239	0.8
415.23669	1.3
425.22009	0.7
442.23688	0.5
443.23065	0.7
461.20187	2.1
486.27463	0.7
500.17365	0.5
545.24628	0.4
558.25909	1.5
631.27478	0.5
680.21619	3.3
718.26361	0.5
826.28284	1.1
886.50067	0.7
918.39471	0.5
930.48248	0.8
941.45154	0.8
958.31903	7.3
958.48132	68.2
959.34528	0.6
959.48627	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	958.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05036	0.8
69.33286	1.9
70.06587	100.0
71.06933	0.4
74.01358	0.3
82.06592	0.5
84.08170	0.3
85.07672	0.6
86.09698	5.1
91.05467	1.1
93.76638	0.3
95.06080	1.7
96.08124	0.8
97.07645	2.0
98.06063	1.5
99.09202	1.2
100.07595	0.4
101.01947	0.3
107.10846	0.3
112.08725	7.3
112.11234	0.6
113.07120	12.4
114.05544	0.4
114.10265	0.5
115.08691	6.2
120.08096	13.0
124.08701	0.6
125.07126	1.1
126.05582	0.4
132.08064	0.5
136.07585	6.5
138.12820	1.4
139.09795	0.4
140.08206	0.9
141.10236	5.5
141.11278	0.6
143.08214	0.7
147.04425	0.5
149.10799	0.5
157.10832	0.5
162.09178	0.8
164.11858	0.6
166.13452	0.5
167.11771	2.2
168.07768	0.5
169.09712	5.0
172.11259	0.5
177.10219	0.4
179.66829	0.4
182.16425	0.4
183.14981	0.8
185.10309	2.8
188.10799	0.7
192.11374	1.2
193.14592	1.2
194.12894	2.4
195.11295	5.4
196.75945	0.4
208.14476	1.1
209.14044	1.4
209.16527	0.4
210.16066	1.2
211.14442	0.4
212.13890	2.3
217.13345	21.4
219.12518	0.5
225.17056	4.4
225.18912	0.4
233.12923	1.0
233.16595	1.6
237.13454	17.7
245.12839	20.3
249.16148	0.9
253.16734	1.0
254.16109	6.6
258.12354	0.9
259.14435	0.6
260.14001	0.5
261.12317	0.6
261.16071	0.8
262.15558	0.6
265.15356	0.4
270.16083	0.4
282.18353	0.5
298.15686	0.7
301.19028	0.5
307.21310	0.7
316.16595	2.5
322.22305	2.5
324.20578	1.0
330.21878	0.4
334.18808	0.8
339.25360	0.5
350.21838	5.4
358.21179	5.0
367.24866	0.4
369.71478	0.3
372.20203	0.7
376.33801	0.4
382.18954	0.4
384.22864	0.4
393.26074	0.6
396.26068	0.4
400.19977	1.6
401.25836	0.9
410.28879	0.8
421.25546	1.7
521.27570	0.5
654.41077	0.6
930.55261	1.3
941.52448	1.1
958.54980	94.2
959.55249	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	963.47
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22791	0.6
69.23196	1.3
70.06605	1.0
98.23450	0.7
129.80597	0.4
130.06580	0.9
134.99214	0.4
147.05330	0.6
149.07043	0.3
150.05295	0.6
158.06091	0.4
163.03937	1.2
189.09930	0.4
191.10155	0.3
191.11653	1.4
234.08453	0.4
245.12679	0.5
246.08688	0.5
246.12120	0.4
251.11240	0.3
265.09317	0.3
274.11957	0.4
276.11157	0.3
278.12540	0.5
280.10739	0.4
288.13181	3.9
288.15945	0.4
304.19904	2.6
305.15915	3.3
306.08466	0.5
306.17761	0.7
315.14249	0.5
323.15045	0.4
331.21051	0.3
332.10107	0.3
338.18555	0.6
342.17972	0.6
347.20700	0.4
349.12692	0.6
349.16470	1.1
349.22543	0.4
358.21158	0.9
364.39786	0.3
375.14072	0.5
375.23642	1.6
390.15509	0.6
392.17065	1.2
394.18671	0.4
401.21695	1.7
403.23474	0.4
404.17102	0.5
417.19754	0.3
418.24347	1.8
420.16302	0.5
430.15009	0.4
432.25531	0.5
435.20279	0.5
439.23914	0.4
441.18967	0.3
446.18152	0.6
467.22827	1.3
472.25113	0.5
489.28558	0.6
495.25635	0.4
512.22943	0.9
517.21710	0.4
536.28455	0.5
538.29968	3.2
564.24634	0.5
588.28979	1.7
626.28363	0.4
635.31659	1.1
652.34619	0.6
659.32532	0.4
699.35962	0.5
701.37720	0.7
735.35797	0.5
772.41797	0.5
821.42731	0.8
822.39185	0.7
852.28143	0.4
864.40204	0.7
918.43921	1.2
935.46863	2.9
945.29004	0.7
963.46405	100.0
964.46552	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	964.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09785	0.1
69.03420	2.7
69.97404	0.1
70.45355	0.1
70.82365	0.1
71.01343	0.6
71.04985	2.9
73.02908	4.4
75.04453	0.2
77.03945	0.1
78.04704	0.1
79.82581	0.1
80.61229	0.1
81.03399	0.8
83.04969	1.9
85.02895	6.0
87.04442	0.3
89.03901	2.5
91.03941	0.2
91.05465	0.3
95.04954	0.2
97.02880	5.2
99.04427	0.5
101.02383	0.2
103.03919	0.3
103.05449	0.1
106.04166	0.1
109.02853	0.2
109.06526	0.1
111.04429	1.3
115.03909	1.2
117.03368	8.0
119.04881	0.1
121.06459	0.1
127.03896	0.7
129.05455	1.5
133.04953	0.5
134.03624	0.5
135.04410	0.6
137.05959	0.2
139.03880	0.2
145.02827	36.9
146.03186	0.3
147.06499	0.8
149.05960	3.4
151.07504	0.8
153.05464	0.2
162.03052	0.2
163.03886	0.7
163.05992	0.1
163.07452	0.1
165.09026	0.1
169.04968	0.2
169.08537	0.1
171.06467	0.1
175.07510	0.1
177.05444	100.0
178.05804	0.6
179.07025	0.3
181.08493	0.1
186.05522	0.3
193.08542	0.2
195.06508	1.7
201.28709	0.1
217.08578	0.1
225.07558	0.4
235.09572	0.1
243.08646	0.3
247.09636	0.1
255.08589	0.1
259.09607	0.2
261.09613	0.2
265.10712	0.1
277.10654	0.3
279.08203	0.1
279.10754	0.3
291.08289	0.1
295.11478	0.1
309.09366	0.5
321.09708	0.8
323.11246	0.6
339.10699	28.0
340.11047	0.4
345.13147	0.1
471.15903	0.1
485.16226	0.3
489.17471	0.1
501.15808	0.1
521.24420	0.1
723.74371	0.1
741.66315	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	964.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03056	0.3
69.03421	3.9
71.01345	0.5
71.04989	4.3
71.66485	0.2
73.02908	3.1
75.04473	0.4
77.15429	0.1
79.05476	0.2
81.03420	0.9
83.04973	2.7
84.59225	0.2
85.02898	10.3
86.18895	0.1
87.04441	0.5
89.03905	2.5
91.03937	0.6
91.05480	0.4
95.04938	0.4
97.02883	6.9
98.23494	0.4
99.04441	0.6
101.02347	0.3
103.03922	0.2
103.05412	0.2
107.04947	0.2
109.02837	0.4
111.04434	1.9
113.06026	0.2
115.03922	1.8
117.03366	7.6
121.06538	0.2
123.00673	0.2
127.03899	1.2
129.05455	2.2
133.04941	0.5
134.03581	0.5
135.04410	0.5
137.05949	0.2
139.03857	0.5
145.02832	34.3
146.03140	0.3
147.06458	1.5
149.05945	3.1
151.03830	0.2
151.07527	0.7
153.05490	0.3
163.03889	1.3
163.06013	0.4
165.07674	0.2
169.05054	0.2
171.06525	0.2
177.05447	100.0
178.05833	1.1
179.07034	0.3
181.08546	0.3
183.06606	0.2
186.05507	0.4
193.08687	0.3
195.06505	1.7
225.07565	0.7
243.08681	0.6
247.09547	0.2
261.09583	0.2
277.10767	0.4
279.10757	0.7
305.10120	0.2
309.09622	0.7
321.09613	0.9
323.11264	0.9
331.10339	0.2
339.10712	28.2
340.10999	0.4
345.13159	0.1
347.63321	0.2
349.44415	0.2
401.57483	0.2
471.16037	0.2
485.16553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	4.8
71.01332	1.1
71.04982	4.4
71.42743	0.3
73.02905	11.3
75.04494	0.3
79.05473	0.4
81.03406	1.1
83.04972	3.7
84.04484	1.3
85.02895	13.6
86.06063	0.5
87.04451	1.0
89.03903	2.5
89.83065	0.3
95.04984	0.6
97.02885	6.9
99.04421	1.0
99.84103	0.3
102.05527	1.2
103.03933	0.4
106.06572	0.5
107.04936	0.7
109.02878	0.5
111.04436	2.0
112.03953	0.4
112.50858	0.3
115.03924	2.3
117.03370	3.6
117.73428	0.3
118.91621	0.3
127.03880	1.0
129.05450	1.9
130.04994	13.3
132.04424	0.9
133.04948	1.4
134.05974	0.4
135.04391	4.9
137.06023	0.3
144.08054	0.9
145.02835	7.0
146.05977	0.4
147.06502	1.0
153.05461	0.5
156.08125	0.4
161.07095	1.3
163.03882	46.1
164.04228	0.5
165.05487	0.4
172.06213	0.5
172.07570	3.7
174.05450	0.8
175.08650	1.0
177.05450	5.5
179.08130	0.6
181.05013	2.0
186.07848	0.5
187.08644	11.9
188.09485	1.7
190.08643	0.3
195.06528	0.5
199.08640	0.8
200.07033	1.6
201.10274	1.2
203.08359	0.4
203.11761	8.6
204.12494	1.6
205.09665	3.6
206.10446	1.7
209.04405	0.3
213.10243	0.6
215.11772	0.8
216.12546	16.9
217.13333	17.2
218.08113	1.2
218.13741	0.3
219.11270	0.5
225.07539	0.6
227.08234	0.5
227.11714	0.7
231.09979	1.0
234.13617	7.1
235.14378	20.2
236.14722	0.5
241.13353	1.0
245.12834	3.6
246.07617	0.4
246.13620	0.6
249.11076	0.7
255.14958	3.3
259.14392	3.7
265.13351	0.9
266.68011	0.3
267.14993	0.5
275.13867	0.7
283.14398	7.0
285.16046	0.4
286.15414	0.4
291.10129	0.7
291.13354	10.2
297.07559	0.7
299.10196	0.4
300.11002	1.0
300.17014	2.3
301.15421	3.1
304.16528	0.9
307.08011	0.7
311.13843	5.2
315.13562	0.3
318.18011	2.6
319.16571	0.9
321.09747	0.3
325.09134	12.3
329.14914	28.1
330.15112	0.4
333.14404	9.9
339.10623	1.9
346.17575	7.3
347.11288	0.9
347.15887	11.6
348.16049	0.4
350.17059	21.2
351.17395	0.4
364.18604	100.0
365.18915	2.1
406.19608	0.4
471.15359	0.4
490.21783	0.5
491.44211	0.3
496.22232	0.4
510.24503	1.1
526.23895	0.9
688.27026	13.0
689.26874	0.4
834.30786	0.4
891.14032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.7
70.53460	0.5
70.95425	0.2
71.01331	0.9
71.04627	0.4
71.04987	4.2
71.05360	0.4
73.02915	9.1
74.68406	0.2
75.04482	0.4
75.16423	0.2
79.05478	0.4
81.03412	1.0
83.04972	2.8
84.04509	1.2
84.28993	0.3
85.02899	10.1
85.03413	0.5
87.04447	0.7
89.03914	1.9
97.02257	0.3
97.02889	6.3
99.04464	0.7
102.05543	1.1
103.03957	0.5
106.06558	0.4
107.04954	0.4
109.02856	0.5
111.04435	2.0
112.03925	0.3
115.03922	2.2
116.11701	0.2
117.03377	2.7
127.03909	0.6
129.05493	2.1
130.04993	11.1
132.04443	0.7
133.04947	1.1
134.06067	0.3
135.04410	4.3
144.08044	0.4
145.02835	6.2
147.06560	0.8
149.05920	0.3
153.05357	0.3
161.07094	0.9
163.03893	39.5
164.04239	0.5
165.05447	0.2
169.05008	0.3
172.06227	0.4
172.07558	2.5
173.07129	0.4
174.05531	0.4
174.07834	0.5
175.08667	0.7
176.07089	0.3
177.05470	5.8
179.08099	0.4
181.04964	1.6
185.07123	0.3
186.07860	0.4
187.08653	9.9
188.09407	1.5
189.10107	0.3
190.08679	0.4
195.06488	0.3
199.08698	0.5
200.07066	1.8
201.10242	1.0
203.11772	6.6
204.12607	1.4
205.09738	2.5
206.10452	1.3
209.04251	0.3
215.11789	0.8
216.12564	15.3
217.13342	14.2
218.08170	0.8
218.13821	0.4
219.11165	0.4
227.08174	0.4
227.11784	1.0
231.10023	0.9
234.13614	5.8
235.14386	18.4
241.13316	0.8
242.14117	0.3
245.12871	3.5
246.07658	0.3
246.13824	0.4
249.10980	0.5
255.10956	0.3
255.14883	3.4
259.14435	2.8
265.13342	0.7
267.14807	0.3
273.08279	0.3
273.12387	0.5
281.09225	0.5
283.14398	6.4
285.15948	0.4
286.15555	0.4
291.13379	8.8
297.07471	1.3
300.11194	0.6
300.16980	2.5
301.15390	2.6
304.16467	0.8
305.14972	0.4
307.08072	0.7
311.13895	4.4
315.13348	0.3
318.18008	2.1
319.16519	0.6
325.09134	11.8
329.14932	26.5
330.15347	0.6
333.14395	9.6
334.14767	0.3
339.10919	1.6
346.17593	7.1
347.11780	0.5
347.15970	12.3
350.17068	20.0
351.17270	0.3
364.18625	100.0
365.18951	2.4
490.21713	0.3
496.22916	0.4
510.24619	1.2
526.23853	1.1
688.27032	13.3
689.26740	0.4
744.39227	0.3
749.79529	0.3
834.32111	0.3
928.90863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02831	3.1
69.15961	12.5
69.16396	14.1
71.07374	10.2
79.30561	3.9
86.09698	60.3
98.09677	4.6
98.23420	9.6
98.98475	8.9
102.08504	3.8
104.10736	91.1
118.55890	3.7
125.00021	33.6
184.07336	100.0
354.90335	4.0
393.28690	3.8
502.32761	12.3
520.34003	70.5
1004.17908	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	972.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.3
71.01335	0.5
71.04983	1.4
71.43989	0.3
73.02912	4.4
73.35600	0.3
77.03930	0.2
79.05474	0.3
81.03391	0.8
81.70364	0.3
83.04989	1.4
85.02416	0.3
85.02896	4.6
87.04470	0.3
89.03917	2.2
91.05485	1.3
93.07043	1.5
95.04914	0.8
97.02889	4.5
99.04431	0.5
103.05450	1.0
106.06517	0.3
107.04921	0.6
111.04404	0.9
115.03913	1.0
117.03379	2.4
121.06493	14.9
127.03873	0.5
129.05446	0.7
135.04414	4.9
145.02838	4.4
145.07625	0.4
146.05882	0.3
151.08678	0.4
160.06291	0.8
161.07048	0.4
163.03889	35.3
165.95050	0.3
173.07097	11.5
174.07797	0.6
181.04968	0.9
187.08598	1.0
191.08131	62.8
192.08475	1.1
199.25473	0.3
205.09682	2.1
208.09576	0.6
214.09776	0.7
215.08102	3.5
227.36455	0.3
232.10788	2.4
233.09181	77.1
234.09534	0.9
250.11874	0.4
257.09134	0.6
275.10278	2.0
299.10071	0.6
307.08176	0.3
325.09100	5.0
329.70914	0.3
337.13821	0.4
341.11148	0.8
352.16620	0.5
370.17575	100.0
371.18048	1.4
379.14932	0.4
394.79669	0.3
412.18588	1.5
480.04196	0.3
496.20590	0.8
502.21555	0.9
516.23358	2.7
532.22723	1.9
648.27216	0.4
694.25970	21.9
695.25800	0.6
840.31610	0.4
973.28290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.9
69.97568	0.6
70.06564	0.8
71.04978	0.7
73.02897	0.9
77.03922	1.0
81.03409	1.6
83.04947	0.6
85.02898	8.8
85.03363	1.1
91.05480	5.9
93.07030	5.1
94.02947	0.8
94.06571	2.0
95.04963	2.6
95.08633	0.8
97.02908	3.5
101.14174	0.7
105.04533	1.0
105.28653	0.7
106.06579	1.1
108.08138	1.5
109.02894	1.1
110.06031	1.9
111.08079	2.8
116.38860	0.7
117.06983	0.8
118.06568	0.7
119.04990	0.6
120.08090	1.3
121.06515	0.9
122.02425	0.7
122.06001	4.0
127.03915	1.4
132.08144	0.8
134.09625	5.6
135.08064	1.1
136.07581	6.8
137.05991	1.0
138.09145	0.7
139.07521	1.3
140.07114	0.8
144.08121	1.0
146.09708	0.6
147.04445	0.9
148.07642	1.0
150.09113	1.7
152.10713	3.1
156.81088	0.7
160.07619	1.0
162.05460	1.0
162.09132	26.3
163.03873	1.7
163.07603	1.5
163.09857	1.1
164.07089	2.2
164.10814	0.9
166.08685	3.1
171.09198	1.0
173.10699	1.6
174.09253	0.7
177.05388	1.0
178.08638	0.7
180.10181	17.0
187.08705	1.6
188.09363	1.2
189.10240	1.1
190.08624	13.4
192.10286	0.9
197.10767	0.7
198.09288	0.7
199.08699	2.2
200.10747	1.3
201.06503	1.1
201.10167	4.7
204.00343	0.6
208.09674	60.1
213.06631	0.9
213.10283	1.8
215.08168	6.9
215.11815	2.5
216.08862	3.7
217.13449	1.2
220.09749	0.9
225.10265	1.9
226.08717	0.7
227.08115	3.7
227.11794	2.1
229.09700	6.3
230.10408	0.9
231.11273	1.3
233.09308	0.7
233.12863	1.0
237.10329	0.9
239.08139	1.0
239.11740	1.2
241.09720	5.2
242.10541	1.6
243.11304	6.5
244.12041	2.2
245.12897	3.1
247.10777	1.4
251.08003	0.8
253.09801	2.2
255.11276	1.2
259.10779	16.1
261.12335	10.9
265.09747	1.3
267.11267	2.1
269.09192	2.8
269.12790	1.0
271.10809	6.3
273.08588	1.2
279.11438	0.9
281.12836	0.9
283.10831	1.8
285.12177	1.3
287.10278	20.4
287.13654	1.6
288.10965	2.7
289.11810	20.6
295.10690	1.7
297.12656	1.2
300.11008	0.7
306.12167	0.7
311.10333	1.7
313.11887	3.0
315.13400	1.6
319.12885	21.8
320.13708	1.9
321.14423	16.1
323.10083	0.9
325.11826	1.7
337.11908	0.9
339.09738	1.2
341.11380	3.0
343.12915	0.9
345.14590	2.4
346.15500	1.1
347.16153	1.8
355.12927	1.3
370.14972	3.6
371.12198	0.9
373.14056	2.5
392.16107	0.8
410.17007	5.1
418.17462	1.3
432.19400	1.3
442.19714	100.0
443.20166	3.4
450.20065	1.0
476.17935	0.8
478.19809	1.3
492.21417	1.6
496.20538	1.2
508.21060	1.0
509.20319	0.8
510.22095	1.9
526.21832	1.0
586.24103	1.4
599.24597	0.9
604.24969	6.5
617.25806	3.7
631.27783	4.5
649.28577	12.6
688.26892	1.1
779.31470	3.4
793.32404	2.8
811.33905	47.0
812.33490	2.2
973.38843	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	973.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.9
69.97568	0.6
70.06564	0.8
71.04978	0.7
73.02897	0.9
77.03922	1.0
81.03409	1.6
83.04947	0.6
85.02898	8.8
85.03363	1.1
91.05480	5.9
93.07030	5.1
94.02947	0.8
94.06571	2.0
95.04963	2.6
95.08633	0.8
97.02908	3.5
101.14174	0.7
105.04533	1.0
105.28653	0.7
106.06579	1.1
108.08138	1.5
109.02894	1.1
110.06031	1.9
111.08079	2.8
116.38860	0.7
117.06983	0.8
118.06568	0.7
119.04990	0.6
120.08090	1.3
121.06515	0.9
122.02425	0.7
122.06001	4.0
127.03915	1.4
132.08144	0.8
134.09625	5.6
135.08064	1.1
136.07581	6.8
137.05991	1.0
138.09145	0.7
139.07521	1.3
140.07114	0.8
144.08121	1.0
146.09708	0.6
147.04445	0.9
148.07642	1.0
150.09113	1.7
152.10713	3.1
156.81088	0.7
160.07619	1.0
162.05460	1.0
162.09132	26.3
163.03873	1.7
163.07603	1.5
163.09857	1.1
164.07089	2.2
164.10814	0.9
166.08685	3.1
171.09198	1.0
173.10699	1.6
174.09253	0.7
177.05388	1.0
178.08638	0.7
180.10181	17.0
187.08705	1.6
188.09363	1.2
189.10240	1.1
190.08624	13.4
192.10286	0.9
197.10767	0.7
198.09288	0.7
199.08699	2.2
200.10747	1.3
201.06503	1.1
201.10167	4.7
204.00343	0.6
208.09674	60.1
213.06631	0.9
213.10283	1.8
215.08168	6.9
215.11815	2.5
216.08862	3.7
217.13449	1.2
220.09749	0.9
225.10265	1.9
226.08717	0.7
227.08115	3.7
227.11794	2.1
229.09700	6.3
230.10408	0.9
231.11273	1.3
233.09308	0.7
233.12863	1.0
237.10329	0.9
239.08139	1.0
239.11740	1.2
241.09720	5.2
242.10541	1.6
243.11304	6.5
244.12041	2.2
245.12897	3.1
247.10777	1.4
251.08003	0.8
253.09801	2.2
255.11276	1.2
259.10779	16.1
261.12335	10.9
265.09747	1.3
267.11267	2.1
269.09192	2.8
269.12790	1.0
271.10809	6.3
273.08588	1.2
279.11438	0.9
281.12836	0.9
283.10831	1.8
285.12177	1.3
287.10278	20.4
287.13654	1.6
288.10965	2.7
289.11810	20.6
295.10690	1.7
297.12656	1.2
300.11008	0.7
306.12167	0.7
311.10333	1.7
313.11887	3.0
315.13400	1.6
319.12885	21.8
320.13708	1.9
321.14423	16.1
323.10083	0.9
325.11826	1.7
337.11908	0.9
339.09738	1.2
341.11380	3.0
343.12915	0.9
345.14590	2.4
346.15500	1.1
347.16153	1.8
355.12927	1.3
370.14972	3.6
371.12198	0.9
373.14056	2.5
392.16107	0.8
410.17007	5.1
418.17462	1.3
432.19400	1.3
442.19714	100.0
443.20166	3.4
450.20065	1.0
476.17935	0.8
478.19809	1.3
492.21417	1.6
496.20538	1.2
508.21060	1.0
509.20319	0.8
510.22095	1.9
526.21832	1.0
586.24103	1.4
599.24597	0.9
604.24969	6.5
617.25806	3.7
631.27783	4.5
649.28577	12.6
688.26892	1.1
779.31470	3.4
793.32404	2.8
811.33905	47.0
812.33490	2.2
973.38843	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	974.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05023	0.8
69.07069	0.4
69.83696	0.9
70.02961	0.5
70.06587	100.0
70.23205	0.2
71.06925	0.8
72.08148	3.5
73.02892	0.5
74.06079	2.5
76.40851	0.2
82.06583	1.0
84.04491	0.4
84.08146	0.6
86.06039	0.2
86.09702	2.9
88.03985	0.8
91.05492	0.7
96.08138	0.7
98.06039	1.3
98.09714	0.3
98.22724	0.2
99.05547	1.2
101.07198	0.3
102.03773	0.4
103.05467	0.5
105.07097	0.3
108.04466	0.3
109.07620	0.3
110.06102	0.3
110.09722	0.3
111.05566	0.3
112.07594	1.3
112.11212	0.5
113.07140	0.4
115.05458	0.3
115.08693	1.2
116.07108	0.6
118.06484	0.3
120.04805	0.9
120.08096	18.6
121.08443	0.5
124.07619	0.5
124.11217	3.1
124.11972	0.2
125.07113	0.5
126.05530	0.9
127.08669	5.6
130.03261	0.5
131.04901	0.2
131.08185	0.5
132.08118	0.6
132.40829	0.2
136.03951	0.9
137.07155	0.3
138.12790	0.6
139.08690	0.8
140.14325	0.2
141.06569	1.3
141.10266	0.9
145.03116	0.2
146.09665	0.6
148.04272	0.3
148.07613	0.3
152.07080	0.8
153.06720	0.3
155.08138	5.0
157.06091	0.6
157.09724	0.4
158.09581	0.5
159.07687	0.5
165.06673	0.4
165.10284	0.2
167.06894	0.2
167.08128	1.2
167.15392	0.3
168.08051	0.4
169.06134	0.4
169.09760	0.8
169.13393	0.6
172.11290	0.2
174.05884	0.5
174.12773	0.4
175.07195	0.3
175.08670	0.5
181.09801	0.5
183.07742	0.2
183.14905	7.9
184.11037	0.4
185.05589	0.4
185.07169	0.2
185.09108	0.3
186.09203	0.7
187.10809	0.7
191.08467	4.4
192.11320	0.3
194.09206	0.4
195.07689	0.3
195.11371	0.5
196.10858	0.3
197.09354	0.3
197.12904	0.4
198.07793	0.3
199.12389	0.3
201.10379	0.2
201.13882	0.9
203.06650	1.0
203.11848	1.3
206.09268	0.3
211.14375	3.4
213.10397	0.3
213.13921	0.5
214.08606	11.1
215.11914	0.3
217.13344	27.8
218.13786	0.4
219.07973	4.9
219.09908	0.3
224.10384	0.7
227.11850	0.3
229.13426	0.7
231.11275	3.0
236.10495	0.6
238.11877	0.4
239.11806	0.5
241.09883	0.6
241.13429	0.3
242.11502	0.9
243.14909	0.4
245.12845	17.8
246.13261	0.6
249.10645	0.8
252.13528	0.3
255.11308	0.3
256.09305	1.3
256.12930	0.7
257.12991	0.3
259.14423	0.3
262.15640	0.5
266.07813	0.3
267.13538	0.4
269.12894	0.5
274.10410	1.0
274.15573	0.9
278.08557	0.7
282.10928	0.4
282.15936	0.2
284.09067	0.4
284.17648	0.4
285.12360	0.5
288.10263	0.3
295.10806	1.7
297.12552	0.3
300.17242	0.4
302.14978	0.7
306.11142	1.1
308.19708	0.4
310.15485	0.6
312.08133	0.3
314.14963	0.6
314.18454	0.3
323.10535	0.4
328.16528	3.8
330.14514	0.4
339.13028	0.7
345.18481	0.3
352.16513	0.3
357.14154	1.0
366.15005	0.8
371.16257	0.3
371.20798	0.6
373.17465	0.3
392.16351	12.7
394.14343	0.8
399.20261	0.8
403.12555	0.5
409.19220	0.4
411.16602	0.3
421.14041	0.9
427.27194	0.5
440.23093	0.3
441.07486	0.2
444.15826	0.2
455.26315	1.2
456.20874	0.4
463.20074	6.8
464.20483	0.3
470.22501	0.4
479.19684	0.4
486.23495	0.8
492.21606	0.4
504.20932	0.6
515.20093	0.3
520.20520	1.6
532.22137	1.3
538.29865	0.4
550.23279	3.8
551.24573	0.3
555.31989	0.3
565.24084	0.4
583.24274	0.4
601.25049	2.3
602.29987	1.4
609.34265	0.4
619.25500	0.9
622.24976	0.3
622.85822	0.2
629.23657	3.2
629.31921	0.2
645.34491	0.3
647.24829	2.7
649.26062	0.2
665.25970	9.9
666.26532	0.4
667.28809	0.3
672.33447	0.5
673.33905	1.3
682.31787	0.8
700.32629	2.7
718.32520	0.9
726.29620	0.4
728.30566	0.3
730.34985	0.3
736.33197	2.7
737.33698	0.4
742.35291	0.3
746.31616	3.4
760.36115	1.1
764.32709	11.4
765.33313	0.5
797.37250	0.5
811.39215	1.3
827.42749	0.4
829.39148	1.0
832.39423	0.3
839.37457	0.8
843.37244	0.3
857.38617	0.9
861.37988	2.4
875.39496	6.7
882.47394	0.5
892.46307	0.6
910.46515	3.5
911.46545	0.5
928.46075	0.5
946.47101	3.1
956.45325	2.0
974.46423	11.6
975.46643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59219	1.8
70.06591	100.0
72.08154	13.4
72.08465	0.3
74.06076	1.7
84.04499	0.9
84.08162	0.6
86.09701	6.1
91.05484	2.2
98.06078	1.2
101.07120	0.7
105.07074	0.5
112.03972	0.5
115.08698	0.8
116.07139	0.5
119.04977	1.2
120.08103	8.3
121.06704	0.4
124.11250	2.1
126.05528	0.7
126.09164	1.3
127.08691	1.5
129.10239	4.1
132.08087	0.6
136.07571	18.2
137.07109	0.8
138.12778	0.6
153.10265	1.1
155.08125	3.0
155.11830	0.9
157.09734	2.1
165.13829	0.4
169.13391	0.6
171.11285	11.0
172.11188	1.5
173.12849	4.4
174.12827	1.3
181.08119	0.8
181.09726	16.1
183.09903	0.4
183.11366	2.0
183.14931	18.4
185.16507	0.5
188.10690	3.4
188.14290	0.5
190.12273	2.0
195.11356	0.5
196.10719	0.5
198.12129	0.4
199.10768	10.3
201.12329	2.1
204.13876	0.5
211.10970	0.6
211.14403	12.7
213.12309	0.4
216.13478	1.0
217.13345	2.0
225.15988	0.7
226.15663	0.8
228.17079	2.1
231.14948	0.7
233.12852	4.5
233.16472	0.6
235.14503	1.0
238.12096	1.6
240.13553	1.1
245.12975	1.6
252.17139	0.6
254.14989	1.9
256.13016	0.9
256.16629	0.8
257.12906	0.5
258.14609	1.5
259.14401	0.7
261.12402	4.6
263.13925	0.7
270.18231	1.3
271.18063	0.6
273.12460	0.5
273.16064	0.6
278.15118	0.7
280.16556	4.5
283.14502	0.7
284.14258	0.4
287.17654	1.6
294.17834	0.5
298.17657	1.6
302.15186	0.9
309.19217	0.6
311.17307	0.8
315.17163	0.7
320.16107	0.9
327.20197	0.6
328.16623	1.4
328.20270	0.6
330.21884	1.1
335.17584	0.5
337.18921	1.9
344.16159	0.6
355.19760	4.1
356.19904	1.3
358.21259	5.3
359.44107	0.4
372.22662	0.5
374.20844	1.7
391.23447	1.5
419.23132	1.4
426.27216	2.8
428.25497	0.7
436.25427	2.8
445.24799	0.7
454.26569	5.6
455.26849	0.7
493.28174	2.2
502.26672	0.8
514.30536	1.5
518.26318	0.7
521.27460	3.7
530.29822	1.0
538.30188	1.9
547.32831	0.5
556.31116	2.5
572.30609	0.7
573.33765	0.9
575.32635	0.9
583.32727	0.8
589.33344	2.4
599.31854	5.6
601.33887	1.8
611.35858	0.6
617.32886	9.1
627.38892	1.0
629.36725	0.9
637.36829	2.9
649.37274	1.6
655.38275	3.6
664.40796	0.5
675.35498	0.5
677.36469	7.7
701.36548	0.5
712.40375	2.0
714.38245	0.6
719.37531	1.8
731.41089	0.5
736.40253	1.0
746.38940	1.3
764.39874	1.5
776.43030	2.0
783.47272	0.9
793.46088	1.6
799.46832	0.6
809.45850	0.7
811.47113	5.4
818.44525	1.4
827.46283	3.8
832.45538	0.8
857.44843	0.9
875.46417	3.1
877.48267	0.5
928.52856	0.6
929.50867	0.7
930.50549	0.8
946.54224	6.1
956.52399	7.5
957.51489	0.5
974.53430	17.9
975.53955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03125	0.5
69.03419	6.1
70.06565	0.7
71.01353	2.3
71.04993	6.6
73.02915	18.5
75.04441	0.6
75.38840	0.4
79.05463	0.6
81.03394	1.4
83.04980	6.3
83.07362	0.5
85.02413	1.0
85.02898	16.4
87.04431	1.3
89.03906	5.3
95.04929	1.0
96.04455	1.6
97.02887	10.9
99.04455	1.0
107.04933	1.1
109.02827	0.5
111.04421	2.4
115.03925	4.2
116.10701	1.0
117.03356	5.7
127.03874	1.4
129.05464	2.5
133.04933	2.2
135.04408	11.4
139.03914	0.6
145.02838	10.5
147.06503	1.9
163.03893	74.8
164.04204	1.0
171.06557	1.0
181.04916	1.9
196.07419	0.7
200.21986	0.5
211.06052	0.5
212.07027	0.6
214.08453	0.6
216.10107	0.6
225.07462	0.5
229.05934	0.5
236.07057	0.9
239.05788	0.6
239.08032	0.5
239.22108	0.4
241.07378	0.9
241.09679	0.9
244.09714	1.0
250.08513	1.1
252.06528	1.2
253.09767	1.1
255.07666	1.8
256.08511	0.9
260.09238	0.7
264.10251	0.6
265.07126	0.6
265.09698	0.8
266.07675	0.8
267.07837	2.3
267.11450	0.8
269.09192	1.4
270.07578	1.7
272.09146	5.3
273.09927	1.3
273.39468	0.6
274.10715	2.7
277.09668	1.9
278.08063	0.6
279.07959	0.7
279.11450	0.7
280.09464	0.7
280.12180	0.6
281.09283	2.2
281.12820	0.9
282.11176	0.8
284.08975	0.7
287.10205	3.4
288.11005	0.7
292.09573	0.8
293.09158	0.8
294.09982	2.0
295.10742	2.2
297.08719	1.9
298.10638	1.0
299.10229	2.4
300.10797	2.9
307.08060	1.4
309.12271	0.9
310.10721	7.7
311.10416	0.7
313.11911	0.7
314.12546	1.4
322.09698	0.9
323.10162	0.8
324.10999	0.6
325.08951	5.4
325.12183	0.5
327.13568	2.6
328.11905	1.5
337.11835	5.0
338.10324	1.3
340.10477	2.6
355.12860	76.2
356.13046	1.7
373.13907	80.3
374.14160	1.0
415.14658	1.2
499.17044	0.8
521.48163	0.5
535.19275	2.0
679.21002	2.7
697.22314	100.0
698.22424	2.4
829.25995	1.6
843.28143	11.3
974.64282	0.7
975.31921	7.7
1003.44763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.7
69.52333	1.1
69.52719	0.6
70.02948	1.3
70.06583	100.0
70.63628	0.3
72.08150	1.2
86.09702	7.4
87.05576	7.1
96.08051	0.3
98.06042	28.0
98.22748	0.6
103.05402	0.5
108.08072	0.5
115.08688	0.9
116.07085	0.3
120.08083	7.8
120.08870	0.4
122.06027	0.6
124.11224	3.3
125.07111	3.5
126.05500	19.1
130.70137	0.3
138.12764	10.8
139.08617	1.7
140.14357	1.1
141.10268	0.3
148.12575	0.3
150.05466	0.3
151.12323	1.3
153.06621	0.5
154.15886	0.6
165.10269	0.5
167.08150	8.6
167.11790	5.5
169.13358	0.3
172.11180	3.0
177.06598	0.6
177.10268	1.1
179.11847	0.6
181.13431	0.3
183.14972	2.8
184.10776	5.2
184.12370	0.3
185.16537	0.7
185.72713	0.3
192.11343	0.4
193.12158	1.2
194.09233	0.5
195.07635	5.1
195.11272	10.0
195.13013	0.6
195.73288	0.3
196.06059	0.4
211.14340	1.9
212.10268	18.8
217.11249	0.7
217.13329	12.4
218.12968	0.5
219.18571	0.4
227.11987	0.5
233.16560	0.6
235.14619	0.5
237.19698	0.6
245.12840	9.8
245.15256	0.5
246.12477	0.8
248.14038	0.3
251.21182	0.8
253.17128	0.5
254.12956	1.3
263.15100	0.6
264.13391	3.8
265.19119	0.5
269.12994	0.4
275.52826	0.3
280.16492	0.6
281.16003	3.5
285.19650	0.4
291.14456	1.8
292.12885	1.8
297.12372	2.1
300.13489	1.1
308.19888	0.7
309.15552	16.5
314.15063	0.7
324.13300	0.4
325.11792	1.0
330.21756	0.8
342.14523	1.7
342.18240	0.4
358.21152	3.7
359.17130	1.4
361.18729	1.8
370.13739	0.4
378.21356	1.7
389.18094	1.9
406.20813	15.3
407.20807	0.3
411.20450	1.0
428.23300	1.3
429.28845	0.4
439.20029	1.1
455.26944	0.4
456.22586	1.4
457.28363	1.6
502.26807	0.6
503.26172	0.5
508.25757	0.6
519.29425	1.4
525.28040	4.8
525.35291	0.4
536.24817	0.4
542.36920	0.5
552.29565	0.6
553.27570	2.7
569.31067	1.3
570.36823	2.0
618.36969	0.6
622.32941	0.8
633.30695	0.6
638.36652	2.4
649.33429	0.6
650.33032	1.3
651.35040	0.6
666.35962	2.3
667.42609	0.4
668.37994	1.3
683.38995	0.6
697.28296	0.3
735.41132	2.1
737.43365	1.1
746.38416	1.5
763.41162	6.4
764.42371	0.4
765.42981	3.5
781.45758	1.2
830.53009	0.5
834.48376	1.1
845.45587	1.2
848.49768	0.5
859.47845	0.6
861.49127	0.6
862.47882	7.5
863.48438	0.5
876.50104	2.4
878.50952	3.0
930.54456	1.2
931.57709	0.5
947.56781	8.4
948.57440	0.8
957.55939	0.5
958.53625	5.5
975.56500	45.6
976.56927	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	975.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05035	0.9
69.75098	1.3
70.02956	1.6
70.06590	100.0
72.08161	0.5
78.11358	0.3
86.09700	6.8
87.05589	6.5
98.06051	31.1
98.22752	0.8
103.49014	0.4
103.85046	0.3
105.07050	0.5
115.08726	1.0
116.07122	0.4
120.08105	8.0
122.06034	0.6
123.05549	0.3
123.09181	0.3
124.11230	3.6
125.07111	3.4
126.05514	19.6
138.12775	12.4
139.08705	1.3
140.14378	0.9
148.33490	0.4
149.07121	0.6
150.05475	0.6
151.08711	0.4
151.12308	1.8
153.06624	0.7
154.15994	0.5
158.22743	0.4
165.10287	1.0
167.08141	8.2
167.11798	3.9
168.28653	0.4
170.09724	0.7
172.11183	3.4
172.22324	0.4
177.06679	0.6
177.10295	1.2
179.11794	0.5
183.14938	2.0
184.10812	5.0
185.16498	0.7
193.12138	0.8
194.09258	0.5
195.07666	6.1
195.09442	0.8
195.11264	9.1
211.14488	1.7
212.10287	19.6
213.10538	0.4
217.13351	12.8
218.13115	0.8
227.11801	0.7
233.16455	0.6
237.19785	0.6
245.12851	9.5
245.15221	0.5
246.12524	1.1
253.16911	0.5
254.12938	1.4
255.11357	0.7
263.15070	0.6
264.13428	2.6
281.16055	3.5
285.19754	0.5
291.14603	1.8
292.12994	1.5
293.18774	0.5
296.14417	0.5
297.12436	1.6
300.13428	0.7
308.19644	0.7
309.15585	13.9
314.15021	1.0
325.12024	1.5
330.21927	0.9
341.15924	0.7
342.14539	1.5
342.18317	0.5
358.21277	2.4
359.17218	1.5
361.18860	1.4
370.14194	0.6
377.21759	0.4
378.21268	1.9
389.18228	2.2
406.20810	14.7
407.20901	0.4
411.20401	0.9
428.23288	1.2
429.28973	0.5
439.20023	1.6
456.22711	0.8
457.28403	1.4
503.25513	0.6
508.25879	0.8
519.29541	1.3
525.28149	3.9
536.25189	0.9
552.29236	0.6
553.27789	1.9
566.35254	0.4
569.31171	0.7
570.36487	1.2
601.32587	0.5
622.33893	0.6
638.36761	2.9
650.33185	0.9
666.36194	2.1
668.37854	0.5
683.38470	0.6
735.41620	1.7
737.43054	0.6
746.38513	0.9
763.41150	5.8
764.41852	0.7
765.42548	3.4
781.45514	0.8
834.49170	1.1
845.45673	0.7
861.48535	0.6
862.48120	7.4
876.49432	1.7
878.51324	2.3
930.53796	0.9
931.57758	1.0
947.57172	6.9
958.54004	4.6
959.55109	0.5
975.56573	42.9
976.56580	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	977.5556
Annotation	Cyclolinopeptide E
Peak:m/z	Relative Intensity
68.05025	0.5
70.06584	91.4
70.50149	0.4
70.50467	0.6
71.06905	0.5
72.08149	15.6
82.06594	0.4
84.08136	0.6
85.07652	0.4
86.09679	1.9
94.44429	0.3
95.06081	0.7
97.07648	0.4
98.06042	8.8
98.06630	0.5
99.09213	1.0
100.07571	0.4
112.08706	5.1
113.07111	4.2
114.10259	0.3
115.08678	4.9
116.07084	0.4
119.04962	0.4
121.06512	0.6
124.08696	1.1
125.07092	0.8
126.05500	6.7
127.08668	7.5
136.07564	4.9
137.07072	0.6
139.08659	0.5
140.07158	0.5
140.08191	0.5
146.06187	0.3
147.04399	0.4
149.10733	0.4
151.12334	1.2
152.08189	2.3
153.13885	0.4
155.08122	5.3
156.11249	0.4
164.11877	0.7
165.10274	0.6
167.11790	4.7
169.13342	12.5
176.11926	0.9
177.10248	0.6
181.09692	0.5
181.13414	0.4
183.14877	0.6
185.16545	0.7
188.10648	2.7
191.12900	0.5
192.11311	4.4
194.12939	1.3
195.11264	8.5
195.12964	0.4
195.15012	1.0
196.14404	0.4
197.10370	0.9
197.12846	5.5
197.14603	0.4
199.33632	0.4
206.12987	0.7
208.14584	0.9
209.14043	1.1
212.13936	3.1
214.15388	0.3
221.14133	0.3
222.16133	0.4
225.09906	0.6
231.12555	0.4
233.12801	8.2
234.12459	1.0
235.80147	0.3
237.13441	10.0
243.11391	0.4
245.12910	0.6
248.17549	0.4
249.13647	0.6
251.14951	0.7
252.13536	1.1
254.16336	0.3
261.12335	3.8
266.16135	1.0
266.18738	2.6
267.17960	0.5
268.16641	0.5
269.16293	0.9
276.14557	0.4
277.13062	0.6
282.21933	0.4
294.15555	4.5
294.18237	7.5
310.21332	0.9
311.18222	0.5
311.54486	0.3
322.73035	0.4
323.20871	0.8
334.18857	0.4
348.20279	0.5
348.39050	0.4
351.20724	0.4
358.17734	0.5
362.21732	0.5
367.14594	0.4
367.23624	0.7
372.20337	0.6
373.19995	0.4
379.26843	1.9
391.20847	0.7
407.26920	2.6
412.20236	0.4
461.28586	0.4
464.28943	0.9
526.29596	0.4
527.31091	0.4
542.33264	0.3
622.32709	0.5
960.53198	1.4
977.55524	100.0
978.55853	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	978.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69881	4.0
77.30610	1.4
82.06579	3.8
83.06930	2.3
83.07352	12.8
88.07632	2.4
88.53709	1.4
95.10374	1.6
98.09692	90.2
104.10740	1.8
115.41450	1.3
116.10728	100.0
125.43169	1.6
196.07341	49.1
289.63550	1.6
313.00198	1.6
316.66422	1.5
424.31766	1.6
514.32935	6.9
532.33936	59.5
541.99921	1.6
825.17218	1.8
903.47766	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70650	3.1
71.07377	5.7
71.43348	3.5
83.07365	7.8
86.09702	39.6
91.05428	2.9
95.08608	4.1
98.09688	54.7
104.10733	100.0
116.10720	11.5
125.00002	28.1
148.69724	3.1
154.72670	3.3
165.12338	3.3
184.07338	82.4
184.08904	7.1
195.00279	8.8
196.07312	75.5
252.05502	3.5
259.10150	3.1
423.05258	3.4
516.33887	10.1
531.26361	5.7
534.35651	99.2
636.38336	3.7
643.64856	3.3
796.66223	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	980.598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13459	3.0
69.13863	1.0
71.07365	2.0
86.09702	25.7
98.23411	1.4
98.98470	3.0
104.10739	2.9
125.00003	18.6
184.07330	100.0
185.07672	0.8
228.89880	0.6
292.89282	0.5
307.06766	0.6
398.79117	0.6
411.18826	0.6
516.34192	1.7
534.35522	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	981.345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.0
69.48887	1.9
71.01350	0.5
71.04984	1.5
73.02912	3.2
73.72846	0.4
81.03413	0.7
83.04962	1.7
84.04497	1.2
85.02896	6.4
86.06059	2.0
89.03909	0.8
97.02899	3.4
102.05562	0.9
106.06551	0.6
107.04951	0.7
111.04460	0.9
115.03938	0.7
117.03374	1.2
130.04997	10.5
135.04410	3.5
140.57147	0.4
142.03973	0.4
145.02844	3.2
146.40169	0.4
151.08688	1.1
163.03899	26.2
171.05597	0.5
172.04034	0.4
173.07094	7.5
174.05504	17.1
175.08621	0.5
181.04916	0.7
184.06276	0.9
185.07172	0.6
186.07907	2.7
187.08691	7.0
188.07097	2.8
188.08601	0.5
191.08154	7.7
199.08636	1.3
204.08974	1.8
204.11116	0.5
205.09727	11.0
211.08652	0.9
213.06511	0.5
213.10258	0.6
215.08186	1.8
217.09734	1.7
229.09653	0.4
231.09991	5.4
231.56516	0.4
232.10779	8.0
233.09171	6.4
239.08144	0.6
241.09904	0.4
249.08775	0.7
249.11073	5.2
250.11893	5.1
253.09796	0.7
256.10825	0.8
257.09183	1.3
258.12473	0.5
270.12329	0.8
274.11823	0.5
275.10330	1.8
276.13446	0.7
281.09174	0.5
283.10971	0.6
285.08701	7.5
298.11850	1.3
299.10239	3.4
302.11353	2.9
303.09848	0.8
306.43970	0.4
307.08032	0.7
315.14459	0.8
316.13019	1.7
320.12381	12.3
325.09131	4.4
327.09735	11.1
333.15646	1.2
334.14066	0.8
344.12396	8.2
345.10791	10.6
361.15036	2.8
362.13461	19.7
363.13855	0.6
379.16110	100.0
380.16382	1.4
490.00729	0.4
511.21048	0.5
525.22009	1.2
541.21289	1.1
549.64050	0.5
703.24506	6.4
959.52472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.5
71.01342	0.4
71.04984	1.9
73.02915	3.2
79.05491	0.3
81.03423	0.4
83.04966	1.2
84.04503	1.1
85.02901	6.3
85.52570	0.2
86.06067	2.4
87.04460	0.4
89.03913	1.5
90.83295	0.2
94.71281	0.2
96.87935	0.2
97.02892	3.4
99.04485	0.4
102.05555	1.2
106.06536	0.4
107.04935	0.6
109.02876	0.3
111.04438	0.7
115.03918	0.6
117.03397	1.6
127.03819	0.3
129.05499	1.0
130.05000	9.3
131.07227	0.2
135.04405	3.7
145.02832	3.3
147.06552	0.3
151.08701	1.1
163.03896	24.1
164.04292	0.3
171.05484	0.4
172.04037	0.3
172.07581	0.3
173.07100	6.6
174.05495	17.0
181.04953	0.6
184.06316	1.3
185.07079	0.6
186.07852	2.7
187.08662	6.4
187.10257	0.4
188.07059	2.0
191.08139	6.5
198.07828	0.3
199.08658	1.0
204.08923	1.2
204.10890	0.2
205.07758	0.4
205.09697	9.2
211.08687	1.0
212.09489	0.4
213.10185	0.5
215.08153	1.9
216.08688	0.2
217.09723	1.4
218.09236	0.3
231.07672	0.2
231.09966	4.7
232.08412	0.5
232.10780	7.1
233.09178	6.0
239.08197	1.1
240.09058	0.3
241.09680	0.4
249.08687	0.2
249.11063	4.4
250.11870	4.9
253.09612	0.6
256.10754	1.1
257.09128	1.7
261.08740	0.3
270.12408	1.3
271.10574	0.3
274.11816	0.4
275.10226	1.6
276.13501	0.5
281.09186	0.4
283.10880	0.3
285.05557	0.4
285.08682	5.9
298.11819	1.3
299.10257	3.2
300.13568	0.2
302.11322	2.8
303.09775	0.8
307.08142	0.6
315.14459	1.1
316.12857	1.8
317.11023	0.2
320.12369	10.3
325.09082	4.8
327.09732	10.0
333.15497	1.0
334.13943	0.9
344.12418	7.3
345.10760	10.4
357.53162	0.3
361.15024	2.9
362.13446	16.3
363.13559	0.4
379.16089	100.0
380.16379	2.4
421.17255	0.3
525.22089	1.5
535.32697	0.3
541.21045	1.1
575.19397	0.2
703.24536	7.6
704.25323	0.4
951.75830	0.2
977.05304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.1
69.32739	0.2
70.69647	0.4
71.01347	0.3
71.04992	1.8
73.02915	3.4
76.56023	0.2
79.05493	0.3
81.03407	0.5
83.04984	1.1
84.04508	1.2
85.02906	5.1
86.06055	2.5
86.31780	0.2
87.04456	0.4
88.08745	0.2
89.03921	1.3
89.40592	0.2
97.02889	3.5
99.36200	0.2
102.05535	1.0
107.04962	0.5
109.02850	0.3
111.04440	0.7
115.03907	0.7
117.03374	0.9
127.03900	0.4
129.05478	0.7
130.05002	9.7
135.04416	3.0
141.20233	0.2
145.02834	2.5
147.06578	0.3
151.08643	0.7
163.03900	24.7
164.04109	0.2
171.04170	0.2
171.05527	0.3
172.03996	0.4
172.07678	0.4
173.07100	5.8
173.08517	0.4
174.05504	14.1
177.05493	0.4
181.04916	0.8
184.06276	1.0
185.07043	0.4
186.07884	2.1
187.08658	6.0
188.07066	2.0
189.10085	0.2
191.08147	5.9
191.09901	0.3
199.08701	1.0
200.07143	0.3
204.08984	1.2
204.10773	0.2
205.07768	0.4
205.09711	8.5
211.08667	0.8
212.09453	0.2
213.06549	0.4
213.10226	0.5
215.08163	1.6
217.09720	1.4
218.09314	0.3
229.09741	0.2
231.07719	0.3
231.09976	5.4
232.10797	7.4
233.09186	6.2
233.11504	0.3
239.08141	0.4
241.09724	0.6
249.08774	0.3
249.11055	4.5
250.11855	5.2
250.14401	0.3
253.09590	0.7
256.10818	0.6
257.09186	1.3
258.12350	0.5
270.12341	0.8
271.10828	0.3
274.11777	0.4
275.10269	1.6
276.13593	0.4
281.09198	0.5
283.10849	0.4
285.08710	6.3
288.13608	0.2
298.11884	1.7
299.10245	2.8
300.13458	0.3
302.11307	3.0
303.09750	1.0
307.08194	0.4
315.14471	1.1
316.12790	1.8
317.11224	0.4
320.12369	11.0
325.09134	4.6
327.09750	10.6
328.09906	0.4
333.15469	1.0
334.13983	1.0
344.12408	8.5
345.10794	10.9
346.11517	0.3
361.15027	3.1
362.13455	19.3
363.13901	0.4
379.16104	100.0
380.16461	1.8
505.19653	0.3
511.20343	0.3
525.21783	1.0
541.21515	1.1
703.11987	0.3
703.24463	5.9
704.24890	0.4
845.07312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.3
71.01334	0.7
71.04993	2.3
71.43915	0.2
73.02542	0.3
73.02914	4.6
81.03406	0.8
83.04972	2.3
84.04507	0.5
85.02405	0.4
85.02900	7.1
86.06056	0.5
87.04452	0.7
89.03918	1.5
97.02274	0.2
97.02887	4.4
102.05530	0.7
103.65717	0.2
106.06565	0.3
107.04980	0.6
111.04427	1.0
115.03920	0.8
117.03371	2.1
127.03940	0.5
129.05472	0.9
130.05002	5.5
133.04901	0.6
134.05945	0.3
135.04407	4.3
145.02832	4.4
147.06543	0.5
151.08672	0.6
161.93979	0.2
163.03894	33.1
163.95818	0.2
164.04230	0.7
171.05400	0.3
172.07574	0.8
173.07097	4.2
174.05502	13.2
174.07903	0.5
177.05484	0.9
181.04956	1.0
184.06290	0.6
185.07048	0.4
186.07874	2.5
187.08665	4.6
188.07083	1.0
191.08130	3.6
197.07132	0.4
199.08688	1.9
199.68269	0.2
200.07037	0.3
204.08971	0.5
205.09718	3.9
211.08655	0.8
212.09268	0.4
213.10236	0.6
215.08095	0.7
217.09682	0.2
219.07634	1.1
219.10538	0.2
229.09758	0.8
230.06775	0.3
231.09966	2.3
232.08461	3.4
232.10667	0.4
233.09204	5.8
239.08348	0.5
240.08939	0.3
240.25299	0.2
243.07683	0.3
243.11314	0.3
245.09265	0.4
249.11040	2.4
250.09468	1.3
251.10254	2.6
257.09235	2.5
258.10031	2.4
259.10745	0.3
271.10782	1.4
275.10242	5.0
276.10983	0.7
281.09204	0.5
285.08661	2.6
289.11896	0.6
299.10233	2.9
303.09756	4.7
307.08124	0.6
316.12823	1.1
317.11157	1.4
320.12463	1.3
321.10782	30.6
322.11029	0.6
325.09189	7.5
327.09763	3.1
334.13907	1.3
335.12247	1.6
344.12250	0.3
345.10779	10.6
362.13458	3.4
363.11823	30.9
364.12137	0.7
365.14362	0.3
374.99246	0.2
379.16452	0.4
380.14487	100.0
381.14801	2.0
506.17944	0.3
526.19745	1.3
542.19855	1.3
645.46588	0.3
704.22833	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	983.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	0.7
69.30459	2.3
79.05493	1.4
81.07053	1.9
93.07064	1.0
95.08595	1.6
107.08608	0.7
120.32018	0.5
134.98175	5.1
144.97121	0.6
203.05247	1.4
259.07941	0.9
301.20090	4.2
319.21262	1.1
335.25867	1.3
342.67163	0.6
357.08075	0.8
357.24139	1.6
469.23233	11.4
470.23639	0.8
537.30310	100.0
538.30664	1.9
983.51416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69607	1.0
79.05479	0.5
81.07049	1.1
91.05485	0.3
93.07043	0.7
95.08603	1.0
97.72825	0.3
107.08574	0.6
109.10104	0.3
119.08540	0.3
121.10189	0.4
134.98180	2.2
135.02420	0.2
185.04262	0.5
265.99350	0.3
301.20157	1.7
319.21237	0.6
335.25897	0.5
357.23889	0.9
375.23935	0.3
469.23215	6.7
537.30286	100.0
538.30615	2.7
626.30048	0.3
634.59930	0.3
951.51111	0.3
983.53094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.5
69.07043	0.3
70.06632	0.2
70.06971	0.2
71.01342	0.5
71.04990	2.3
73.02913	4.3
75.04456	0.2
78.01286	0.1
78.78369	0.1
79.05493	1.0
81.03425	0.8
81.07037	0.5
83.04977	1.9
83.08629	0.3
85.02899	5.6
85.36826	0.1
87.04478	0.2
89.03899	3.1
91.05475	2.4
93.07029	0.1
95.04956	0.5
95.08619	0.2
97.02884	5.0
97.10181	0.7
98.22791	0.1
99.04453	0.4
103.03962	0.2
105.07079	0.2
107.04955	1.0
107.08547	0.3
109.02875	0.3
109.06504	0.1
109.10234	0.1
111.04441	1.4
115.03922	1.3
117.03369	3.8
119.04944	1.3
119.60204	0.2
123.04391	0.3
123.08068	0.2
125.09598	0.5
127.03886	0.6
129.05470	1.5
129.06992	0.2
133.04942	0.6
135.04410	9.6
136.04648	0.2
137.05968	16.2
139.03883	0.3
141.06958	0.6
141.07950	0.1
143.08562	0.2
143.69881	0.1
145.02837	8.7
147.06523	0.6
149.05945	0.4
153.07021	0.3
155.08533	0.7
157.06485	0.3
159.08072	0.3
161.05969	0.6
162.00394	0.1
163.03889	100.0
164.04189	0.8
165.05463	0.2
165.06964	0.2
167.08513	0.6
169.05119	0.2
169.06477	0.5
171.06612	0.2
171.08031	1.1
173.05962	1.0
175.07561	0.5
177.05414	0.2
177.09073	0.3
179.08548	0.2
181.04918	2.1
181.06477	2.3
181.10054	0.3
183.06883	0.1
183.08047	2.4
185.05963	0.1
186.05348	0.2
187.07538	0.8
189.11217	0.2
191.07132	0.2
193.12254	0.2
194.02617	0.1
195.08099	0.6
195.11586	0.2
197.09613	0.4
199.07527	4.3
201.09081	1.3
205.08556	0.5
207.08041	0.4
209.09621	0.7
211.07443	0.2
211.11206	0.3
211.13280	0.4
213.09058	0.5
215.10822	0.1
223.11156	0.5
225.07414	0.2
225.09221	0.2
227.10663	0.4
229.14391	0.2
237.16360	0.3
243.08635	0.2
247.14873	0.2
259.09509	0.2
261.09750	0.2
265.15891	2.6
273.07419	0.2
275.14240	0.9
277.07132	0.2
281.15305	0.3
283.16879	1.3
293.15332	1.9
295.08087	0.5
299.16415	0.2
307.08200	0.8
309.09821	0.7
311.16385	6.6
325.09152	21.7
326.09424	0.2
329.17444	19.5
330.17755	0.4
341.86368	0.1
347.18481	3.5
353.17526	0.1
365.19556	1.3
426.58313	0.2
471.14688	0.2
493.24341	0.2
684.33002	0.2
764.80066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	4.8
69.07068	11.6
69.14821	7.6
71.04980	3.9
73.02914	2.0
79.05489	33.0
81.03419	5.1
81.07053	38.8
83.04976	4.0
83.08633	6.1
85.02902	8.8
85.06548	9.2
91.03947	2.2
91.05479	44.0
91.34222	1.2
93.07044	28.4
95.04963	6.9
95.08593	21.9
97.02888	4.2
97.06527	3.9
97.10161	3.0
99.04488	1.5
99.08109	2.5
102.71019	1.1
103.03928	1.4
105.04510	1.4
105.07021	20.6
107.04942	1.8
107.08594	18.9
109.06517	5.3
109.10144	8.9
111.08079	7.2
113.68696	1.1
115.05453	1.3
117.07000	7.3
119.08576	12.9
121.10130	8.8
123.08086	3.1
123.11688	2.0
125.09602	4.4
127.03904	2.7
127.07536	5.8
129.06995	2.3
131.08556	9.1
133.10123	100.0
134.10435	1.2
135.08083	2.2
135.11662	6.2
141.06998	1.5
142.07764	1.3
143.08566	2.6
145.10083	7.4
147.08070	5.1
147.11684	7.8
149.09618	25.1
149.13287	1.7
151.11298	1.3
153.09099	5.4
157.10109	2.4
159.11702	4.5
161.13243	2.7
163.11133	1.7
163.14917	1.5
169.10138	1.4
171.10164	13.2
171.11560	2.1
173.11826	1.3
173.13222	2.8
183.11768	2.2
185.13274	1.8
187.14851	1.7
189.11223	25.5
189.12846	2.3
203.14365	1.3
219.17296	2.2
227.12801	5.3
229.14363	2.6
257.18988	4.1
259.20566	2.4
261.22153	5.2
267.15933	1.7
269.17438	2.0
275.20007	19.4
293.20862	1.9
331.23080	1.6
335.25800	43.7
337.20053	10.4
349.23715	16.9
351.17896	2.2
392.89465	1.2
485.28827	16.4
489.35690	1.7
505.35190	2.6
513.86261	1.2
515.37134	2.5
529.38617	7.3
569.42163	3.3
609.45117	43.0
627.45734	4.9
954.76245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.9
69.07063	14.8
73.02900	2.5
79.05044	2.6
79.05483	36.2
81.07043	34.8
83.04973	2.8
83.08615	7.7
85.02887	9.7
91.03953	4.9
91.05466	34.6
93.07034	35.0
95.04956	8.4
95.08601	31.2
97.02868	6.6
97.10161	4.0
103.05428	2.2
105.04499	2.7
105.07028	38.6
105.17154	1.7
107.04926	2.3
107.08584	19.8
109.06496	2.7
109.10136	11.5
111.08094	2.0
115.05450	3.4
117.07002	21.6
119.08572	26.8
121.10123	16.3
125.20998	1.7
127.03893	4.9
127.33781	1.8
128.06180	4.9
129.06982	15.1
131.08542	25.6
133.10118	20.6
133.53876	1.6
135.08102	2.1
135.11679	11.2
141.06958	3.8
142.07692	3.1
143.08592	16.2
145.10130	24.7
147.11646	13.9
149.09668	2.1
149.13249	5.5
155.08511	10.8
157.10129	15.8
159.11668	15.8
161.13228	8.8
163.06042	2.5
163.14835	3.2
167.08536	2.4
169.10112	12.3
171.11670	11.4
173.13301	9.0
175.14748	2.4
181.10126	7.9
183.11678	10.7
185.13226	12.0
187.14862	3.1
189.16397	2.9
195.11671	7.0
197.13298	8.9
199.14847	5.6
201.16454	2.1
207.11659	2.2
209.13223	6.9
211.14795	5.2
213.16373	2.7
215.18007	1.8
221.13232	2.7
223.14839	4.7
225.16286	3.8
227.18082	2.8
236.15718	2.0
237.16409	4.6
239.17998	4.3
257.18979	4.6
259.20502	4.0
265.19348	2.3
323.23877	2.0
333.24481	4.7
335.25806	4.8
349.24527	2.7
366.91940	2.1
409.30371	2.0
433.30002	1.9
499.39609	3.1
501.35941	2.2
517.40485	10.9
535.41272	7.2
539.37439	3.8
573.43561	2.3
591.44025	11.0
607.42078	2.1
609.45111	100.0
610.44971	6.3
717.46527	2.4
735.48492	3.1
753.48383	3.3
771.49457	7.7
986.57184	2.2
1003.74353	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	986.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.3
69.07064	22.4
71.04980	5.5
77.03927	2.2
78.83294	1.6
79.05487	59.3
81.03405	8.3
81.06566	3.6
81.07052	74.5
83.04954	7.7
83.08602	11.9
85.02887	10.8
85.06544	3.3
85.35648	1.5
91.03957	6.0
91.05474	46.3
93.07039	69.4
93.23071	1.7
95.04964	12.4
95.08600	49.8
95.09214	2.5
97.02895	8.0
97.06499	9.9
97.10171	9.9
98.22615	3.7
99.08075	2.7
105.04504	5.3
105.07023	33.8
107.04965	5.1
107.08583	43.5
109.02876	1.9
109.06508	6.0
109.10159	28.2
111.04453	1.6
111.08095	5.1
115.05560	1.8
117.07027	14.7
119.08572	33.7
120.26681	1.5
121.06553	3.3
121.10143	27.2
123.08092	3.3
123.11712	6.1
125.09635	8.8
127.03896	2.9
128.06233	1.9
129.07019	6.3
131.08569	25.6
133.10124	23.5
135.08069	4.9
135.11697	19.5
137.09657	3.5
139.11040	1.5
141.06990	2.3
143.08571	6.4
145.04993	3.9
145.10091	20.7
147.11700	13.9
149.09612	8.9
149.13240	8.7
151.11209	2.6
155.08594	1.9
157.10153	6.5
159.11694	16.7
161.13277	6.2
163.06041	2.4
163.11192	4.4
163.14865	2.7
169.10165	4.4
171.11659	3.3
173.11816	3.8
173.13271	10.0
175.14832	2.8
177.12798	2.0
179.14384	1.8
183.11758	3.0
185.13258	3.3
187.14879	3.5
189.11229	7.5
195.13647	2.1
197.13185	3.3
201.16370	2.1
211.37903	1.7
217.15897	2.0
219.17471	3.0
227.12773	11.8
229.14275	11.4
239.18005	2.9
243.21033	3.9
255.15959	2.0
257.18927	6.3
261.22165	15.8
269.17401	14.0
275.20056	36.5
291.19717	2.5
293.21094	4.0
309.20563	4.6
317.24844	2.0
331.22678	4.7
333.24442	1.7
335.25769	100.0
336.26123	2.5
348.66794	1.7
349.23676	34.2
367.24829	2.7
431.31635	1.6
489.35825	12.3
505.35599	1.8
513.38971	2.1
515.37402	6.9
529.38873	50.0
543.40143	3.8
569.41766	12.5
609.45099	44.2
627.46173	10.4
664.60693	1.8
910.56757	2.1
1021.66272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.8
73.02934	2.6
79.05489	2.2
81.03419	0.9
81.07066	2.3
82.51524	0.6
85.02893	3.4
91.03981	2.8
91.05505	2.5
93.07069	1.7
95.04979	0.7
95.08598	1.6
97.02877	3.5
99.04489	0.9
101.02444	1.1
105.07054	1.4
107.08612	0.8
111.24326	0.7
127.03945	1.6
131.08615	1.2
141.04091	0.7
141.05235	0.6
150.05405	0.9
153.60403	0.7
237.08064	0.7
243.08478	1.9
323.76807	0.7
331.18854	2.5
347.09821	1.5
365.10669	1.0
374.36368	0.8
395.46414	0.8
405.13748	4.7
478.40131	0.6
505.25641	2.2
507.27280	1.0
519.29449	3.2
527.40247	0.7
549.26392	1.7
681.34644	6.6
711.33081	1.3
989.54309	100.0
990.55060	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	990.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.4
71.38028	0.3
71.42902	0.3
77.03912	0.9
77.22884	0.3
79.05492	2.6
81.03423	2.1
81.39479	0.3
85.02897	1.0
89.03926	2.1
91.05471	8.9
93.07039	31.8
95.04962	7.2
95.08607	0.9
97.06538	0.6
97.32204	0.3
103.05471	0.7
105.04500	1.5
107.04943	2.6
111.08103	0.7
117.03378	4.6
121.06496	23.3
131.04901	0.7
134.03589	0.4
137.05965	0.7
139.07559	3.3
145.02843	13.0
149.05969	46.4
150.06325	0.4
167.07024	100.0
168.07379	0.9
177.05455	27.0
181.04929	2.5
209.08005	1.8
311.11191	0.7
329.08636	0.7
329.12286	8.7
399.47974	0.4
416.15042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.9
69.07083	0.5
70.62747	0.4
71.01369	0.2
71.04998	0.3
71.08621	0.2
73.02911	2.0
73.03245	0.2
79.05072	0.3
79.05494	2.0
81.03436	0.8
81.07037	1.4
83.01054	0.2
83.08622	0.4
85.02903	3.8
87.04482	0.2
91.03950	2.1
91.05474	2.1
93.07030	2.2
93.07510	0.2
95.01134	0.2
95.04981	0.4
95.08598	1.1
97.02887	3.1
99.04506	0.6
101.02405	1.0
105.04572	0.3
105.07006	1.5
107.08586	1.3
109.02891	0.4
109.10189	0.3
115.03964	0.3
117.07050	0.4
119.08616	0.8
121.10189	0.6
127.03909	1.0
129.05525	0.2
129.06993	0.3
131.08588	0.4
133.10089	1.0
135.11684	0.4
142.07751	0.2
143.08621	0.3
145.04987	0.2
145.10165	0.3
147.11763	0.5
149.13272	0.3
159.11803	0.3
161.13254	0.3
171.11751	0.2
173.13438	0.2
176.86920	0.2
185.04204	1.3
195.00291	1.0
201.03787	0.8
203.05336	0.8
243.08403	2.0
243.57083	0.2
259.07956	0.4
299.20181	0.2
301.08939	1.0
313.09180	0.3
315.10574	0.4
317.21011	0.7
319.10107	0.3
335.20386	0.2
337.27692	0.3
347.09485	3.6
363.09021	1.5
365.10718	0.6
373.23856	0.3
383.16513	0.2
397.18686	0.2
403.12488	0.3
405.13675	6.2
405.18781	0.4
437.21396	0.3
463.14377	1.3
465.20749	1.3
475.14560	0.5
477.16068	0.8
503.17535	0.3
507.26947	0.8
517.19196	0.4
519.20636	0.3
525.23322	0.3
531.20294	0.3
533.22632	0.2
535.16730	0.5
535.28729	5.7
545.22333	0.5
547.24097	0.3
559.23846	0.6
599.26788	0.4
607.31183	0.3
627.26465	0.7
629.27490	0.3
657.27313	0.3
679.33710	0.3
687.28448	0.9
697.33990	8.8
713.33398	0.4
769.35620	1.1
829.50482	0.4
846.53052	0.3
853.44373	0.6
991.55920	100.0
992.56207	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	992.5921
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02968	2.0
70.06588	100.0
72.08144	0.9
73.12356	0.6
77.32471	0.7
86.09698	7.8
87.05585	7.4
98.06046	32.8
110.06013	0.7
115.08676	1.8
120.08084	8.6
121.60687	0.7
124.11228	4.8
125.07133	3.1
126.05503	26.2
137.07176	0.7
138.12769	15.4
139.08676	1.9
139.09689	0.7
139.74759	0.8
143.17450	0.8
151.08705	1.1
151.12331	1.9
153.06598	0.9
167.08156	9.7
167.11760	6.2
170.09767	0.8
172.11221	4.0
177.10220	0.9
183.14948	2.6
184.10779	7.0
185.16527	1.0
193.12076	1.1
195.07661	6.0
195.11264	11.8
211.14473	2.4
212.10277	24.8
213.15961	1.2
217.13335	15.0
217.15341	1.1
227.11938	0.8
233.16605	0.8
245.12862	12.8
254.12933	1.8
261.16003	0.9
264.13467	3.4
281.16052	5.6
291.14505	2.1
292.12988	1.8
297.12320	1.8
300.13446	1.1
309.15594	17.8
309.19070	1.5
314.15121	1.6
325.11908	1.9
342.14529	3.1
358.21390	6.2
359.17035	1.5
361.18665	2.7
378.21478	2.9
389.18237	2.7
406.20831	15.5
410.20959	0.8
411.20285	1.2
428.22800	1.3
439.19662	2.5
456.22534	1.7
457.27777	1.0
516.11530	0.9
519.29114	0.9
525.27893	5.5
536.24841	1.5
552.28375	1.7
553.27679	4.8
570.36859	1.1
633.30005	1.0
638.36731	5.5
650.32928	0.8
666.35907	2.4
735.42310	1.6
737.43024	0.9
763.41284	6.1
764.43854	1.0
765.42560	2.5
845.45831	1.0
862.47668	3.5
876.49371	1.7
878.49951	1.6
930.52496	1.1
947.57062	7.9
958.53662	7.7
975.56494	87.9
976.56592	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	992.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48202	0.4
69.82590	1.2
74.71125	0.5
81.07061	0.5
82.06587	1.9
83.07359	7.1
83.28537	0.4
98.09690	88.1
116.10725	3.4
121.65260	0.5
166.74657	0.4
167.62338	0.4
196.07335	100.0
197.07655	0.6
272.25110	0.6
419.18637	0.5
528.33990	1.0
546.27753	1.0
546.35565	18.3
583.11200	0.5
700.68445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45602	1.6
73.85555	1.2
82.06583	3.7
83.07356	11.1
86.09699	1.3
88.07645	2.2
88.95234	1.4
89.65976	1.3
90.25314	1.5
98.09685	92.2
101.63724	1.4
104.10712	2.0
116.10723	100.0
117.11072	2.1
146.98189	1.7
196.07329	55.1
298.12521	1.3
306.53360	1.4
485.26175	1.6
528.34521	6.3
544.33746	2.3
546.35559	66.4
547.35693	1.8
574.52448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.9
69.33788	0.9
71.01336	0.5
71.04991	1.7
73.02529	0.3
73.02909	3.0
75.04467	0.2
81.03393	0.4
81.14667	0.2
83.04975	1.3
84.04504	1.1
85.02405	0.3
85.02898	5.6
86.06062	2.8
89.03914	1.4
95.01292	0.3
97.02888	3.5
99.04462	0.2
101.02331	0.2
101.82437	0.2
102.05545	1.0
103.03941	0.2
109.02856	0.4
111.04416	0.8
115.03935	0.5
117.03368	3.0
121.06469	0.2
127.03899	0.3
129.05470	0.6
130.04988	9.9
134.03600	0.4
135.04395	0.4
139.03976	0.2
144.08125	0.2
145.02829	11.7
147.06540	0.3
149.05989	1.0
151.08702	0.9
163.03902	0.6
164.26048	0.2
171.05476	0.4
172.03929	0.3
172.07478	0.2
173.07091	5.5
173.08534	0.4
174.05495	14.7
175.08629	0.3
177.05453	24.5
178.05815	0.3
184.06255	1.2
185.07039	0.2
186.05460	0.3
186.06284	0.2
186.07854	2.2
187.08656	6.2
188.07050	2.1
191.08138	5.7
195.06540	0.8
197.07097	0.3
198.07899	0.2
199.08636	0.8
202.07219	0.2
204.08940	1.4
204.10690	0.3
205.09698	9.0
211.08623	0.7
212.09346	0.3
213.06526	0.3
213.10173	0.5
215.08087	1.5
217.09673	1.3
218.09271	0.2
225.10097	0.4
229.09790	0.3
231.09973	5.0
232.08426	0.4
232.10782	8.2
233.09172	6.6
239.08131	0.8
241.09830	0.3
249.08633	0.3
249.11040	4.6
250.11839	5.7
250.14424	0.3
253.09622	0.6
256.10831	1.0
257.09222	1.5
270.12396	0.6
271.10828	0.2
274.11819	0.4
275.10190	1.7
276.13409	0.4
281.09332	0.3
283.10754	0.4
285.08679	5.9
298.11899	1.4
299.10196	2.6
300.13385	0.3
302.11356	3.1
303.09680	0.8
315.14459	1.0
316.12808	1.8
317.11136	0.2
320.12381	10.8
321.09595	0.3
327.09717	10.8
333.15512	1.6
334.13885	1.1
339.10724	7.1
344.12354	8.6
344.16614	0.4
345.10767	10.8
361.14972	2.7
362.13428	19.7
363.13580	0.3
379.16077	100.0
380.16382	1.6
381.16382	0.2
505.19214	0.2
511.20343	0.2
525.22052	1.3
541.21283	0.4
717.26117	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	997.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.4
71.01340	0.4
71.04986	2.1
73.02908	0.5
75.04474	0.3
79.05494	0.3
81.03410	0.6
83.04982	2.1
84.04493	1.6
85.02896	9.9
86.06058	2.4
89.03909	1.6
95.01350	0.3
95.04958	0.4
97.02871	2.8
99.04456	0.6
100.88845	0.2
102.05544	1.1
103.03927	0.7
106.06561	0.4
107.04930	0.3
109.02853	0.4
110.19698	0.2
111.04441	1.2
113.02357	1.1
117.03349	1.4
127.03931	0.3
128.48813	0.2
129.05479	0.9
130.04991	9.5
131.03384	2.2
135.04413	3.5
142.38538	0.2
145.02843	3.1
147.06526	0.6
151.08629	1.0
157.04988	0.4
163.03891	26.6
164.04169	0.3
169.26125	0.2
171.05502	0.5
172.03888	0.2
172.07558	0.4
173.07092	7.2
174.05492	16.1
175.05899	0.3
175.08618	0.3
177.05481	0.3
181.04990	0.6
184.06290	1.3
185.07031	0.2
186.07863	2.8
187.08650	7.0
188.07092	2.3
191.08138	6.1
199.08655	1.0
200.07106	0.3
204.08913	1.7
205.09698	10.2
206.10025	0.2
211.08632	0.6
213.06554	0.3
213.10275	0.7
214.09668	0.3
215.08130	1.9
217.09732	1.5
225.10254	0.4
229.09642	0.3
231.07764	0.2
231.09959	5.2
232.08434	0.5
232.10745	8.0
233.09166	6.1
239.08185	1.0
240.08780	0.3
241.09793	0.6
249.08646	0.4
249.11035	4.7
250.11864	6.5
253.09756	0.8
256.10788	0.7
257.09158	1.4
257.59384	0.2
261.08636	0.2
270.12369	0.7
275.10190	1.9
276.13434	0.9
281.09131	0.4
283.10645	0.4
285.08676	6.6
298.11890	1.7
299.10205	3.0
302.11368	3.3
303.09720	0.4
307.08044	0.6
315.14484	1.0
316.12726	2.0
320.12375	11.2
321.12491	0.3
325.09106	4.4
327.09735	12.1
328.09961	0.4
333.15506	1.1
334.14066	0.9
344.12384	8.1
345.10745	10.6
346.11093	0.3
361.15012	2.8
362.13422	19.4
363.14032	0.5
379.16080	100.0
380.16397	2.3
386.13364	0.3
505.19302	0.5
509.18790	0.4
525.22101	1.1
541.21045	0.7
655.24091	0.7
696.38989	0.2
703.24481	3.8
704.24640	0.3
833.26678	0.5
932.90344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06608	1.6
70.78447	0.6
126.05588	0.5
148.59044	0.4
149.10780	0.6
189.10031	0.8
198.05382	1.3
217.09560	0.7
234.08644	0.6
234.12206	0.6
260.10007	0.4
260.13962	0.4
262.11652	0.5
286.12057	0.7
286.15402	2.8
288.13373	0.5
303.14456	0.9
313.16446	0.5
314.11212	1.0
314.14981	0.4
331.17355	2.8
336.13217	1.7
341.19666	0.5
352.20279	1.0
357.18988	2.9
381.15622	0.4
383.16891	8.7
384.20435	0.6
385.18628	0.5
399.23868	1.3
400.19547	2.9
428.19101	0.4
444.26068	1.1
449.21854	1.0
450.21237	0.8
451.27008	2.0
470.27396	1.0
496.25229	2.5
498.30869	0.4
543.32904	0.5
548.28650	1.0
548.50934	0.4
564.35400	2.4
595.32397	0.9
612.34863	0.7
644.31744	2.3
661.36975	1.5
708.40631	1.4
757.39954	2.0
855.50720	0.5
856.46246	2.6
865.44830	0.4
870.48553	0.6
883.48303	0.7
952.52753	3.5
969.55365	5.0
997.54730	100.0
998.55060	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	1002.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94463	23.5
74.34936	9.3
95.56442	10.8
96.00922	9.8
120.16756	10.6
127.22173	9.1
128.46901	8.7
129.10098	9.8
153.66339	10.0
161.02415	19.7
166.09322	10.1
170.09369	15.9
212.90173	12.5
303.25305	11.8
325.22644	16.4
374.35239	11.1
762.26880	10.9
842.45544	33.9
848.92828	11.6
939.47437	100.0
996.15839	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	1003.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53473	2.2
71.01385	8.7
73.02957	1.0
83.01373	0.7
84.89382	0.6
85.02955	6.8
86.56182	0.6
87.00875	1.0
89.02456	3.3
93.00859	0.8
95.01404	2.1
101.02448	1.4
105.03474	0.8
107.05045	1.6
109.02963	2.4
113.01715	1.3
113.02465	15.0
123.04543	2.6
131.03505	1.6
132.02217	3.7
133.02969	48.5
134.03740	1.6
135.04544	26.2
136.04837	0.8
153.05559	2.0
161.02460	100.0
162.02757	1.2
167.29056	0.8
179.03522	8.1
189.50131	0.7
191.05457	0.7
206.79454	0.8
211.07690	2.6
212.04857	1.4
214.06389	2.5
215.07124	1.0
229.08727	8.3
234.06923	2.7
243.04875	1.1
244.05634	1.5
249.09319	4.6
267.10297	2.3
283.07822	1.5
285.11334	4.2
285.53586	0.7
301.09122	7.3
315.10944	2.8
319.10193	4.4
381.10138	7.1
441.21478	1.8
461.16556	5.3
593.21014	4.8
621.27759	9.5
755.24133	28.4
793.40942	0.8
797.25330	8.6
899.28754	1.0
903.66284	0.8
917.29053	2.2
959.30396	39.2
960.30731	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	1003.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92044	0.1
72.67268	0.2
76.67001	0.1
78.32787	0.1
78.95907	1.2
79.95744	7.2
94.92554	0.3
94.98103	0.7
96.96023	100.0
99.01995	0.2
110.79196	0.2
111.02028	0.2
116.92845	0.4
118.96952	0.1
119.05067	0.5
124.96674	0.2
146.06206	0.2
175.68831	0.2
178.34303	0.1
187.62167	0.2
202.68872	0.2
209.12822	0.2
219.47289	0.2
239.12585	0.2
248.07092	0.2
252.94565	0.2
387.16733	0.2
793.30518	0.4
861.39850	2.5
899.34625	6.3
900.34924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45989	1.0
79.13746	0.6
80.05071	0.6
82.01749	0.9
82.02975	1.4
82.06638	1.2
85.92912	0.6
95.02546	0.7
97.00420	0.9
98.01202	0.9
108.08186	1.2
109.04069	2.4
110.03599	0.8
111.05594	0.7
113.07230	12.2
114.05635	3.5
115.08801	5.5
116.05064	2.4
116.07131	0.8
118.06648	1.3
123.05656	0.8
123.94069	0.6
125.03600	0.6
125.07185	0.9
126.05611	2.6
127.05160	8.8
128.03545	5.9
129.10361	7.1
136.11301	0.7
137.10809	1.2
139.08783	4.1
140.07178	4.5
141.06711	4.4
146.06119	0.9
151.08772	2.1
152.05908	2.1
152.10692	0.7
153.06720	1.9
153.10321	2.3
155.08266	7.2
163.08777	2.4
165.05420	2.8
167.04607	2.5
167.08238	0.7
167.11884	2.4
167.15501	0.8
168.09007	0.7
170.09468	0.7
174.05637	1.3
177.10277	1.6
179.11929	5.3
180.10286	3.3
181.09837	4.7
181.13422	2.0
183.15039	4.5
193.09799	1.4
193.13495	3.8
194.13193	1.0
195.11395	13.4
196.14645	1.2
197.16563	0.9
198.12561	1.8
200.10774	1.4
207.15070	5.9
210.16103	1.1
211.14528	2.0
212.14058	21.4
222.12486	22.5
223.10841	2.8
224.10400	1.1
224.17647	1.4
225.16016	0.9
226.15649	1.1
228.17183	4.2
236.17499	0.9
240.13531	10.7
242.11861	1.8
242.18791	3.9
243.11371	1.9
259.14395	1.7
260.14191	0.7
264.20786	1.7
265.16638	3.5
266.18692	0.6
268.16626	1.2
280.20261	3.2
282.21783	1.0
283.17624	0.7
293.19937	4.3
307.21277	1.2
308.19693	1.6
309.22946	1.8
311.20844	1.6
326.18829	0.8
335.20895	3.7
342.18317	3.8
349.26004	3.1
353.21979	6.2
363.27570	2.5
379.27045	1.0
390.69397	0.7
406.28244	1.5
424.29279	3.9
545.38184	2.0
579.32910	0.7
597.34045	17.3
598.34607	0.9
694.39203	1.0
792.46661	7.8
793.46729	0.8
806.80933	0.9
834.50342	0.7
865.73108	0.8
944.60327	1.7
988.58826	16.4
989.58624	1.3
1006.59912	100.0
1007.59937	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	1007.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	18.2
72.99299	0.9
73.02959	8.0
83.01390	3.6
85.02961	9.6
87.00890	2.2
87.04535	2.2
89.02448	5.1
95.01398	1.7
97.02963	1.2
98.11256	0.6
98.21910	1.3
99.00899	1.7
101.02448	13.5
111.00905	2.8
113.02462	8.9
119.03539	1.5
124.01725	0.5
125.02461	1.6
127.57077	0.5
133.02946	2.6
135.04526	3.2
143.03543	1.6
154.61116	0.5
159.02977	1.5
161.02464	3.6
161.04561	5.6
169.12335	1.0
179.03528	1.8
187.78134	0.5
199.84869	0.5
239.16843	0.6
245.30647	0.5
251.53662	0.5
255.19727	2.0
329.19626	1.4
377.27515	0.6
381.22635	1.1
399.23907	100.0
400.24295	2.3
417.24985	37.7
459.26031	29.1
460.26184	0.7
1007.30280	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	1009.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02976	3.1
71.02470	1.3
73.04080	1.2
93.03448	3.1
99.01991	3.8
99.05637	1.6
111.02023	3.3
113.07230	14.5
114.05658	1.1
118.06686	1.3
119.05048	8.2
124.04018	1.1
125.03568	3.6
125.07191	1.5
131.03729	1.9
135.04575	2.6
136.04027	2.2
139.05141	1.4
139.08801	1.3
145.02927	2.6
146.06129	4.0
152.07211	1.1
152.08311	2.2
153.06734	14.0
158.06116	1.4
158.74142	1.0
161.02473	2.3
162.05585	3.4
163.08742	3.1
167.08240	3.6
170.09375	11.3
173.03893	9.3
178.09869	1.3
179.08160	1.0
185.07248	1.6
186.05588	9.7
196.10938	11.3
199.09061	1.5
203.08276	4.6
207.07669	2.0
224.10374	2.3
226.10242	4.3
227.08568	2.5
244.11259	43.3
248.10614	1.4
249.13467	2.3
250.12009	1.5
255.11568	1.1
259.10892	3.5
276.13574	1.8
282.12549	9.7
292.09979	1.1
299.15012	3.6
300.13495	5.8
303.14804	1.4
317.16245	1.7
346.16306	1.3
379.36539	1.2
380.17581	1.4
398.18646	2.4
527.24408	3.8
545.25165	2.3
580.22168	1.5
651.30048	5.0
859.38770	1.4
911.41718	15.3
929.44379	1.1
965.41766	2.7
1009.41437	100.0
1010.42059	2.2
1018.38098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.446
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02486	1.0
73.04074	1.7
83.02505	0.8
84.00890	0.5
84.43850	0.4
93.03468	0.5
95.02504	1.3
97.00430	0.4
99.02007	5.6
99.05673	0.5
103.00426	7.4
103.01501	20.7
111.02016	1.7
112.05162	1.4
113.03540	0.9
113.07215	2.4
119.04262	0.6
119.05041	6.3
121.04130	0.4
125.03588	0.8
128.04674	0.6
130.06235	3.1
133.03014	0.4
138.29312	0.4
139.05125	1.5
139.08751	0.7
140.07126	0.8
140.25995	0.3
146.06143	3.1
147.05975	0.6
152.07132	0.8
156.04146	0.7
158.06119	0.8
160.07693	0.5
162.05583	0.6
163.08780	0.8
165.06610	0.6
169.04417	0.9
169.09819	1.0
170.09375	0.7
173.03906	1.5
175.08746	0.5
179.08330	0.6
185.07181	2.5
186.05560	4.0
193.09818	0.5
196.10936	1.7
201.06792	0.6
203.08272	1.8
204.08064	0.4
209.12938	4.2
210.12500	1.3
213.09988	0.4
216.11418	1.3
219.07677	0.7
220.10942	1.0
225.06345	0.6
226.15587	0.6
227.08316	0.8
236.10358	1.8
244.11201	3.1
277.12939	0.6
298.15359	0.5
299.13937	0.5
301.13315	0.7
306.18173	0.5
341.16653	0.6
358.15533	1.7
363.20831	0.4
383.17422	0.5
383.23181	0.4
407.17361	0.5
464.19574	0.8
492.25888	0.5
551.26910	0.5
584.32043	1.0
657.30505	0.7
658.33960	0.5
755.35065	1.5
861.39789	100.0
862.39752	5.4
883.37970	1.0
905.41461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
55.01881	17.6
57.03450	90.9
57.84890	1.6
58.03772	3.0
59.01380	18.6
60.70828	1.4
61.98505	1.4
68.99834	1.9
70.53300	3.2
71.01393	4.3
73.02573	2.7
73.02953	33.5
83.01387	9.6
84.04549	3.3
97.65639	1.5
98.21911	2.0
99.37009	1.7
100.93318	2.1
100.94633	2.6
101.02451	100.0
102.02808	3.3
102.05618	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	101.0246
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
50.78281	1.9
54.18038	1.9
54.86262	2.2
55.01871	7.4
57.03451	89.2
58.03781	3.4
59.01369	7.1
59.36603	1.9
63.33527	2.3
69.42128	4.0
69.42535	6.5
71.01373	2.2
73.02949	18.1
81.97906	2.1
83.01405	10.8
100.84319	2.2
101.02448	100.0
101.06120	2.2
102.02767	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	101.0243
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
52.39692	2.9
55.01884	19.2
57.03452	28.4
59.01375	40.3
69.06651	20.5
71.01394	15.4
73.02953	100.0
73.03374	5.4
83.01385	3.5
84.05465	2.8
98.22713	5.3
101.02449	31.0
101.06081	10.1
101.92465	4.8
102.05609	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	1012.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	6.9
73.02951	1.0
85.02962	2.3
87.00875	1.2
89.02448	4.7
95.01442	0.8
97.02954	0.6
101.02455	3.8
101.30745	0.5
105.03465	1.6
106.61987	0.5
107.05050	0.6
109.87227	0.5
113.02447	2.8
117.03468	1.9
119.03521	0.9
119.11359	0.6
123.04518	0.5
125.02482	2.0
130.61488	0.5
131.03517	1.6
132.02188	5.4
133.02968	59.4
134.03760	2.6
135.04532	14.2
149.07211	1.3
160.01532	0.5
161.02458	100.0
162.02792	0.9
179.03540	6.0
179.05064	0.8
179.05577	0.7
181.58853	0.6
191.05687	0.8
221.06725	2.9
230.09331	0.6
349.89401	0.6
670.57703	0.6
850.31281	5.7
1012.34253	54.4
1013.34308	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	1014.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68396	5.7
87.96785	5.3
98.21854	9.2
113.07233	11.3
114.30806	6.4
115.95405	5.8
134.31190	5.4
143.22035	4.5
152.07162	5.6
156.01323	5.1
161.02385	7.1
209.12962	7.8
277.10107	7.5
285.39594	5.7
405.16113	10.8
427.13867	6.4
519.24261	8.0
671.86810	6.2
837.75836	6.6
876.38391	6.4
948.43286	19.3
956.45911	36.5
978.43762	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	1015.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	3.7
73.02968	0.5
83.01382	0.5
85.02962	5.9
87.00888	0.9
88.53668	0.4
89.02453	1.7
95.01395	2.3
96.96002	2.1
99.05679	0.4
101.02432	0.8
105.03480	0.5
107.05027	1.2
108.04579	0.7
109.02927	0.5
112.04147	0.4
113.02457	9.3
117.03497	0.5
121.02956	0.6
123.04576	0.6
126.26348	0.4
127.05166	0.4
131.03525	1.2
132.02197	2.0
133.02968	25.2
134.03766	2.6
135.04541	35.8
136.13799	0.4
137.00682	1.5
139.02231	1.5
148.71474	0.4
149.02431	0.5
151.04025	0.7
155.08258	0.5
160.01663	1.2
161.02461	51.0
162.02802	0.9
165.00165	2.8
165.06726	0.7
166.00914	1.2
167.01743	14.9
174.19298	0.4
179.03514	31.9
180.03813	0.7
181.05087	0.5
183.07806	0.6
185.02759	2.5
191.05627	0.6
192.99660	12.6
227.06781	0.7
229.01575	0.4
229.05418	0.6
283.89584	0.4
333.01984	0.4
347.08038	1.3
461.17026	0.5
488.71222	0.4
493.13928	6.0
508.65289	0.5
593.21722	0.4
616.11084	0.4
619.19745	0.7
625.18042	10.2
657.17847	0.5
740.20801	0.4
753.22546	1.3
786.20764	0.8
787.21320	100.0
788.21381	3.5
825.34601	0.4
853.25360	0.8
1015.28876	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	1017.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	8.7
72.99313	1.1
73.02953	0.7
81.03457	0.7
83.01379	0.6
85.02959	9.9
87.00896	1.5
89.02456	3.9
89.03976	0.9
95.01407	2.8
99.00899	0.4
99.04561	0.5
101.02465	2.7
107.05035	0.4
109.02963	0.3
113.02462	19.0
117.03477	1.3
119.03506	1.0
123.04539	6.4
130.92014	0.3
131.03532	2.9
132.02180	13.2
133.02979	3.7
134.03758	19.4
135.04543	22.6
137.02457	0.6
143.03539	0.8
147.04459	0.4
149.04587	0.8
149.06091	2.6
153.05595	8.7
160.01674	46.2
161.02463	14.3
161.04588	1.3
175.04019	39.8
178.02736	2.0
179.03493	2.1
191.05621	1.8
193.05066	15.6
211.06285	0.4
243.10155	0.5
261.11404	0.5
265.07114	1.0
297.09738	1.3
315.10962	2.7
317.75223	0.4
350.34091	0.4
379.53220	0.4
439.14679	0.5
461.16684	6.5
575.19678	0.5
593.20990	6.0
635.21881	0.5
637.21564	1.8
751.23853	0.7
755.23853	0.5
769.25647	100.0
770.25568	2.2
797.27612	0.6
811.26721	10.8
859.73218	0.4
913.29944	2.7
931.30194	1.3
973.31909	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	1021.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	31.1
74.60224	0.3
85.02964	0.4
87.37158	0.3
89.42060	0.3
107.08649	0.4
115.00380	11.4
121.10252	0.5
134.03801	0.5
135.04515	0.6
136.64255	0.3
151.10298	0.3
152.01189	0.3
153.09206	1.3
161.02481	0.9
165.09221	3.7
183.10271	100.0
184.10629	1.3
233.19841	0.4
253.88411	0.4
293.90997	0.3
294.66693	0.3
299.11377	20.8
312.25531	0.4
484.43298	0.4
497.55679	0.4
665.78381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
75.63516	0.3
78.95914	1.0
79.19115	0.3
79.95744	7.5
79.96218	0.4
86.89936	0.3
94.92507	2.4
94.98088	0.7
96.92223	2.0
96.96016	100.0
97.95171	0.3
100.77785	0.3
134.89478	0.7
186.05646	0.4
328.91843	0.3
633.51038	0.3
835.37347	2.2
857.35858	0.5
873.32788	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	1023.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	1.0
73.96419	0.1
76.38213	0.1
80.66689	0.2
81.73049	0.2
83.10313	0.1
94.50340	0.2
97.93124	0.2
98.22757	0.2
99.00842	0.3
99.76767	0.1
99.92593	18.4
100.15369	0.2
112.25961	0.1
114.93403	1.2
115.99954	0.2
116.92871	100.0
117.01950	1.6
117.92928	0.8
119.05042	0.6
146.06110	0.3
169.09717	0.2
175.64368	0.2
186.05594	0.3
209.12933	0.2
241.88498	0.1
257.65079	0.2
861.39746	4.4
862.39996	0.3
863.40167	0.2
883.37921	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	1027.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
76.41901	1.2
84.00935	1.1
96.96037	1.6
99.02020	2.0
103.00426	7.6
103.01492	22.4
109.25284	1.1
113.03576	4.4
113.07240	5.0
119.05039	5.4
123.05682	1.5
146.06131	3.8
153.06693	6.6
158.06223	1.0
161.02467	1.4
162.05667	1.8
167.08188	1.3
170.09329	3.9
176.71053	1.1
184.10925	5.7
186.05627	5.1
190.26537	1.1
203.08269	3.2
205.06204	1.4
510.71573	1.1
542.27222	1.7
835.37964	100.0
836.38159	6.7
841.12054	1.5
857.35345	2.0
879.34100	2.3
983.50208	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	1027.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02512	1.4
73.04074	8.1
80.05052	0.3
82.02983	0.4
82.06628	0.8
83.02551	0.4
83.84722	0.2
84.00920	0.3
85.04079	0.7
87.67056	0.2
93.03446	0.8
95.02511	2.4
96.00920	7.5
96.04556	0.3
97.00457	0.3
97.04062	0.4
98.01232	1.0
98.02475	1.6
99.02017	5.1
107.05032	0.8
108.08232	0.5
109.04094	0.6
110.02483	6.8
110.06146	0.2
111.02024	0.7
111.05641	0.7
112.04151	0.2
113.03592	7.2
113.07222	25.5
114.05602	1.3
115.08760	0.5
116.05154	0.3
118.06654	0.7
119.05039	5.8
120.04560	0.6
123.05642	1.1
124.02756	0.3
124.04055	0.4
125.03568	0.9
125.07217	1.7
126.05602	0.7
126.09247	0.4
127.08757	0.5
129.10316	1.2
131.03760	0.4
131.05099	0.2
132.08168	0.3
134.06131	1.0
135.04730	0.4
135.05640	2.0
136.04045	0.6
138.04482	0.2
138.05641	0.4
139.05148	2.0
139.08810	0.6
140.07184	1.9
141.06703	0.9
141.10313	0.3
144.04573	0.7
146.06116	0.9
151.08763	1.6
152.04884	0.2
152.05930	1.1
152.07172	3.1
152.08330	2.2
152.10817	0.3
153.06711	12.9
154.08704	0.3
155.08267	0.9
155.11894	0.3
156.08200	0.6
157.05299	0.3
158.06102	0.3
159.25793	0.2
162.05626	16.2
163.08783	0.4
165.06720	1.1
166.12418	0.6
167.04611	0.9
167.08327	0.4
168.04094	0.3
168.07761	0.3
168.11482	0.3
169.09856	1.1
170.09361	26.0
171.07883	0.4
172.07689	0.3
177.10298	0.3
179.08264	2.2
181.09807	0.3
184.11353	0.3
186.05617	0.8
186.12575	0.4
191.11934	0.4
192.11475	0.4
193.09810	1.3
195.11470	1.2
199.08733	0.6
200.07188	1.0
202.12373	0.3
205.06232	1.7
205.13632	0.3
207.11395	1.0
209.12971	17.1
210.12367	1.3
212.14034	0.6
215.08293	0.9
215.11928	0.5
222.16127	3.1
226.15506	0.4
228.10315	3.5
231.11385	1.4
238.15584	0.5
240.17191	0.8
243.07739	1.4
243.11337	0.6
245.12949	2.2
249.13596	1.6
255.15085	0.8
261.56546	0.3
262.15610	0.9
265.16742	1.9
266.15106	2.2
267.14645	5.2
276.13550	5.9
280.20343	0.2
281.13046	0.3
283.17731	0.7
292.20422	0.3
299.14078	0.5
302.11389	0.3
302.18781	0.4
306.18274	0.6
324.16873	0.3
328.16461	0.5
332.16782	0.2
337.22540	0.9
342.14642	1.5
342.18060	0.5
355.17581	0.9
362.21939	0.7
363.20477	0.5
373.18735	2.6
380.23193	1.3
393.24985	0.3
416.26767	1.2
434.27667	3.4
453.21460	2.1
463.22992	0.4
470.23636	0.3
477.28214	0.4
516.29590	0.6
531.07397	0.3
534.30597	1.8
569.26984	0.6
580.27704	0.7
595.31915	0.4
622.33423	0.5
640.34729	9.9
641.35272	0.3
666.37128	0.3
739.41113	0.4
754.38715	1.7
844.57025	0.4
869.45764	1.9
877.45605	0.5
884.47156	0.6
886.48334	9.7
922.48749	0.3
923.46918	1.0
965.48865	5.4
966.47382	6.4
983.50043	100.0
984.50128	4.3
1009.51587	1.0
1027.52734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02496	0.6
73.04073	2.7
83.02523	0.7
84.00916	2.7
85.04069	0.6
93.03477	1.2
96.00924	0.5
98.01224	0.7
99.02053	2.2
107.05022	0.6
110.02415	0.4
112.02800	0.6
113.03564	0.5
113.07225	11.5
114.05608	1.1
115.08777	0.5
119.05036	28.0
122.04888	0.9
123.05589	0.5
124.04013	0.5
125.07222	0.5
126.05595	0.7
127.08794	0.5
129.10359	4.5
131.03737	0.8
132.08142	0.4
133.05313	0.6
134.06148	0.8
137.07269	0.5
139.05183	2.5
139.08768	1.3
140.07156	0.6
141.06694	0.7
141.10350	1.3
143.11864	0.5
151.08774	5.6
152.06001	0.9
152.07152	0.6
152.08246	0.6
153.05539	0.7
153.06723	11.0
153.10324	0.6
155.03378	1.2
155.08281	6.8
157.05359	1.3
161.02457	0.6
162.05630	3.5
163.05127	0.4
165.06726	0.7
167.04610	1.1
167.08270	1.7
168.11426	1.2
169.09833	4.0
170.09332	3.1
172.10843	0.5
179.08313	1.8
181.09865	0.5
181.13487	0.9
186.12491	5.5
191.11971	0.9
193.09856	1.2
195.11374	9.0
200.10829	0.6
205.06177	0.6
208.14554	2.5
209.12877	2.8
210.12486	1.3
212.10426	3.3
214.12399	0.5
226.15634	5.5
238.15514	0.7
244.09772	2.0
251.15172	0.6
252.13635	0.8
254.18813	0.4
257.12949	1.6
258.11343	0.5
264.32233	0.4
265.16718	4.7
266.15048	1.6
272.63483	0.5
283.17767	5.8
292.16754	1.9
300.83276	0.5
305.19791	0.8
309.15884	0.9
318.14813	0.5
321.62717	0.4
323.17422	0.5
323.20645	2.1
338.84714	0.4
349.18887	0.5
380.22900	1.1
383.28055	0.5
389.21918	1.1
420.26239	1.4
445.25247	0.7
472.25815	0.6
559.32294	0.6
569.30994	0.6
615.36298	0.6
633.37451	1.3
722.38171	0.6
739.41290	2.1
845.45880	2.4
892.49286	1.4
984.50214	2.5
998.53644	100.0
999.53979	4.3
1010.53497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
72.28870	0.5
72.99321	0.8
73.29205	0.5
75.00855	0.6
83.01397	4.3
84.02179	1.9
85.02955	100.0
86.03282	0.8
86.76678	0.5
87.00894	1.3
101.02460	1.1
103.00394	0.9
106.00719	0.4
108.76806	0.4
111.00879	7.7
115.00375	1.0
121.02973	5.4
123.00925	1.1
129.01955	38.5
133.89044	0.6
134.03752	12.3
138.03229	1.4
139.00337	1.0
147.03009	12.5
149.06116	0.7
153.05585	5.1
160.01678	1.6
161.02486	0.6
163.73346	0.5
166.99921	0.8
173.00919	15.1
175.04018	1.5
182.02206	2.3
191.01988	26.7
193.05064	11.7
196.03751	0.5
197.04561	12.8
209.03038	4.9
222.05441	0.6
261.07800	1.1
265.07220	3.9
271.02475	0.9
272.32034	0.5
300.02545	0.5
309.06213	0.7
323.07751	1.7
327.07224	7.1
347.17126	2.8
349.06097	0.5
367.06726	7.3
371.06204	14.5
385.07767	4.4
389.07288	21.0
404.70370	0.6
565.12048	5.1
617.82220	0.5
906.33826	0.6
937.43506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.7031
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05036	1.2
82.06626	3.8
83.14716	0.9
84.08183	1.4
85.04027	0.9
94.06615	1.9
110.03587	1.5
112.07655	2.5
113.07227	11.3
121.04102	5.1
127.08770	1.3
129.10353	24.1
130.08720	2.1
139.08797	7.1
140.07175	5.4
146.06047	0.9
151.08813	1.0
155.08316	5.5
164.09555	8.5
166.95361	0.9
167.10646	1.6
181.13486	3.3
184.10989	1.1
195.15094	2.4
197.16609	7.1
199.18066	1.0
207.15050	27.3
208.13374	1.7
209.12949	4.8
216.13976	1.6
223.11763	1.5
224.17700	12.9
225.16055	5.4
226.15616	14.0
241.13545	6.1
242.11938	1.6
242.18755	19.7
259.14474	8.8
268.16718	1.9
276.17313	1.3
278.22253	1.1
294.21988	2.0
294.25662	1.1
321.22995	14.3
337.26038	9.5
339.24091	7.1
355.27200	3.1
371.24588	1.7
444.20715	0.9
452.32358	2.3
565.40918	5.4
615.42950	1.1
791.58948	1.1
825.56256	14.4
830.29492	1.1
1034.70386	100.0
1035.70654	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	1035.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04090	3.4
82.03008	3.2
87.05659	3.8
93.04581	28.0
98.01230	2.7
98.02486	5.0
98.21949	5.3
99.01991	4.7
108.05683	11.6
110.02486	19.8
110.03644	5.2
113.03612	7.1
118.04108	9.0
124.04054	10.9
125.07243	6.0
127.05117	5.0
131.04913	5.0
134.03703	3.2
136.05191	14.1
137.07231	16.7
141.06752	7.0
144.07787	4.2
149.07190	3.8
149.08324	2.5
153.07869	7.7
154.09975	3.9
155.08234	6.5
163.08829	3.0
166.09895	7.9
167.04645	4.0
174.05473	14.0
174.10402	3.6
175.06256	2.7
183.12579	2.8
184.10928	3.2
185.07214	32.5
189.06821	4.3
201.13646	5.2
207.12486	3.1
208.12053	6.6
217.10933	18.7
218.09377	5.7
227.11504	10.6
231.12601	3.1
234.13564	4.7
235.12149	6.6
243.15305	2.5
252.14722	3.3
265.10965	24.4
273.84357	2.6
278.12433	4.5
282.13538	4.6
283.11987	7.3
283.15088	3.2
309.16788	3.1
352.16263	13.4
394.18393	6.8
399.21777	3.0
425.19418	5.0
562.25494	6.1
621.12982	3.4
731.14746	3.4
939.42639	3.0
957.44470	61.2
957.62738	4.1
958.42041	2.9
969.43884	12.9
987.45264	48.3
1005.47394	5.8
1017.47211	5.4
1035.47815	100.0
1035.69580	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	1035.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
80.32220	1.1
100.20362	1.3
113.07232	6.6
137.07202	4.0
153.06694	3.8
155.08293	4.9
160.32489	1.2
170.09392	4.7
172.10957	6.8
194.09378	1.9
209.12848	1.6
226.15553	5.7
251.15099	5.4
269.16183	2.2
308.17056	1.6
326.18564	6.1
361.78845	1.5
556.64795	1.3
683.38293	2.0
685.36774	2.2
720.47949	1.4
822.45166	4.4
928.49469	100.0
929.49115	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	1035.6385
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11930	1.1
78.95900	2.0
80.05054	1.2
87.05627	1.8
113.07217	4.4
115.08832	6.5
125.07157	1.7
126.05671	1.9
129.10352	3.1
140.07187	2.3
141.06699	1.5
152.99588	1.2
169.13454	2.0
181.13588	1.7
183.15018	3.1
193.13409	3.0
200.14120	1.5
209.13002	4.6
210.12433	1.5
211.14478	2.3
214.15672	3.7
226.15703	2.8
228.17148	1.9
254.18900	1.6
262.19098	1.3
267.18225	2.7
281.19781	2.6
285.19080	1.7
307.21408	2.4
499.42944	1.5
804.53296	2.3
987.48187	1.5
999.66113	100.0
1000.67529	2.9
1035.62708	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	1036.547
Annotation	Unknow
Peak:m/z	Relative Intensity
96.00899	18.4
128.08640	18.9
137.44995	17.5
149.13832	15.0
157.85716	16.4
204.22992	15.9
208.77931	15.9
219.01418	22.4
238.99313	17.9
541.05652	20.7
830.44928	19.4
955.55353	28.6
973.55060	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	1036.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
82.89104	10.3
83.19806	10.2
93.53440	10.0
96.00901	21.8
98.22680	21.2
103.97205	11.4
154.49583	12.0
211.14586	12.9
259.14471	15.1
269.77277	10.9
390.09406	12.5
618.58179	15.3
831.06372	11.8
876.53241	25.9
955.53369	16.4
973.55017	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	1037.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	0.5
78.72651	0.5
83.01398	4.7
84.02178	1.1
85.02957	100.0
87.00871	0.8
89.00359	0.7
101.02457	1.1
106.00664	0.8
111.00891	12.2
117.03491	1.5
121.02966	8.1
123.00920	1.5
129.01955	54.7
130.02315	0.5
134.03752	17.9
138.03273	1.7
139.00406	0.9
139.04019	1.2
147.03008	8.7
149.06075	2.3
152.44934	0.4
153.05583	6.2
154.99951	0.5
160.01669	1.5
161.02473	0.9
166.99881	1.3
173.00934	20.5
175.04034	2.1
178.02766	1.8
182.02231	3.6
187.59801	0.4
191.01988	10.1
191.03609	0.8
193.03288	1.0
193.05067	19.7
197.04559	18.6
197.06372	0.9
209.03021	1.2
211.06177	0.7
222.05318	1.2
237.07684	1.4
244.39957	0.5
261.07742	3.1
265.07233	4.3
275.77707	0.5
309.06210	0.9
323.07727	4.1
327.07217	11.5
328.57376	0.5
353.05246	0.6
367.06711	17.3
368.06992	0.7
371.06201	15.7
372.06482	0.5
385.07803	6.4
389.07272	7.9
403.47952	0.5
565.12000	10.1
840.40515	0.5
1074.93127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	1.1
74.78083	0.2
77.03982	0.2
83.01395	0.7
85.02958	5.2
87.00927	0.2
89.02446	1.8
89.03949	0.3
95.01390	1.9
95.05920	0.2
96.95983	0.2
101.02446	1.5
105.03471	0.6
113.02463	10.4
115.01870	0.3
117.03470	0.6
119.03516	0.4
123.04553	1.2
125.02448	0.5
125.09737	0.9
132.02184	2.1
133.02972	29.6
134.03700	0.9
135.04546	11.7
136.04877	0.3
138.51593	0.2
153.05592	0.9
153.09233	0.6
161.02460	83.7
162.02844	0.5
171.10291	5.5
179.03496	2.6
180.03938	0.3
213.11371	0.4
297.09778	0.5
315.10803	1.4
315.14404	6.3
333.15576	6.7
375.16626	13.6
376.16843	0.4
461.16724	4.3
558.68329	0.2
597.72083	0.3
623.19830	100.0
624.20221	1.8
755.24231	0.9
919.73743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02477	10.4
81.04597	1.0
81.53471	0.7
82.03004	0.9
84.04494	0.9
85.00113	0.8
86.02469	3.6
86.06134	1.0
87.05643	2.1
90.00191	1.2
97.04087	1.5
98.21896	0.8
99.05647	10.9
101.07201	1.4
102.05618	1.9
104.75888	0.7
107.06107	1.0
109.04099	1.7
109.07738	1.2
112.04058	1.1
116.01775	0.8
123.05621	1.3
124.04057	0.9
125.03539	1.2
126.40701	0.8
127.05135	1.3
128.03546	27.8
135.05644	3.0
141.06700	2.4
143.04634	34.1
145.06204	1.9
146.04601	2.7
153.06685	2.3
160.00749	9.9
166.09807	2.2
167.04648	3.2
167.08217	1.4
177.03360	4.2
179.04625	8.0
179.98184	0.8
181.06195	1.4
185.05582	1.3
194.78096	0.7
197.05635	1.1
209.17499	0.7
210.08832	7.7
254.07825	11.3
272.08878	20.3
288.06644	5.8
304.06094	2.2
306.07669	100.0
315.90347	0.7
332.09247	5.4
386.04413	0.7
739.42273	0.8
1046.51685	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	1047.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02507	1.0
95.02512	0.7
96.99326	3.8
97.00415	0.5
99.02007	2.8
99.05652	0.5
108.84324	0.4
111.02051	1.0
113.03558	0.5
113.07262	0.9
116.04090	0.5
119.05045	3.9
121.04069	0.6
125.03561	0.9
130.06244	1.4
139.05118	0.9
140.04640	0.5
140.07140	0.5
140.98323	1.2
141.01750	1.2
146.06143	3.1
152.05894	0.6
152.07166	0.6
155.77705	0.4
162.02873	0.6
162.05635	0.5
169.09842	1.6
173.03900	1.1
178.02330	0.6
185.07230	0.8
186.05592	2.1
191.08299	0.5
193.09985	0.7
196.10994	0.5
201.06635	0.7
203.08264	0.9
209.12929	2.6
244.11299	1.5
258.08716	0.8
299.13947	1.2
306.08765	0.6
319.96509	0.5
323.11954	0.6
335.11624	0.7
340.19971	0.5
341.16730	0.7
380.13727	1.1
389.13141	0.5
415.10675	0.6
420.17014	0.6
477.18988	0.6
486.17996	0.9
532.25177	0.7
559.23853	0.6
663.29608	1.0
777.33594	0.7
861.39716	10.7
862.39752	0.7
865.37799	0.6
883.37842	100.0
884.37567	4.1
899.33868	0.8
905.42603	0.8
1056.23779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
54.60547	0.4
56.99804	0.6
59.01384	32.8
60.01693	0.4
67.34528	0.4
70.49551	0.4
71.72381	0.4
72.99314	56.3
73.99654	0.6
74.02481	0.6
75.00877	58.5
75.02808	0.8
76.01223	1.0
91.09797	0.3
103.00402	0.9
105.01945	100.0
106.02282	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	105.0347
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
59.01384	27.5
60.74793	1.3
63.02406	6.5
71.40666	1.9
72.99317	53.2
75.00881	55.5
77.03976	23.3
90.96790	1.6
95.05041	15.2
96.05307	1.3
97.99136	1.3
104.02671	2.6
105.01948	100.0
105.03465	44.3
106.02261	2.1
106.03793	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	1051.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	1.0
75.00880	1.5
82.97843	0.4
83.01406	2.7
83.50997	0.4
84.02174	2.1
85.02956	100.0
87.00842	0.8
101.02440	0.7
103.00392	1.1
111.00884	3.5
115.00391	0.9
129.01962	8.2
134.03752	3.7
147.03004	13.2
165.04031	0.6
173.00923	2.1
180.29634	0.4
191.01988	72.7
193.05034	2.5
198.35883	0.5
209.03032	17.0
257.66400	0.5
259.47205	0.6
277.98865	0.5
314.31107	0.5
323.07800	0.7
367.06522	2.7
373.24976	0.5
385.07785	36.2
386.08078	0.5
454.92923	0.5
779.90747	0.6
881.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91895	12.7
80.91691	85.1
96.84312	1.5
98.21839	4.9
113.07211	3.5
125.07239	2.1
127.08825	2.3
135.04549	1.7
141.06676	1.9
153.06693	5.1
155.08258	4.5
170.09370	1.8
172.10944	3.6
194.09163	1.8
198.08846	1.9
218.43126	1.5
221.34142	1.6
226.15591	4.9
251.15202	1.6
269.15860	1.7
291.14188	2.1
303.14148	1.8
348.16443	6.7
512.75000	1.8
582.30023	1.8
583.29681	2.3
634.41632	1.5
705.35852	2.3
822.43347	1.9
844.43616	3.6
928.49030	5.5
950.47461	100.0
951.47839	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	1055.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
75.07574	1.2
76.37602	1.2
83.01418	1.3
85.02950	13.2
89.02463	4.4
95.01403	4.5
98.98699	1.2
101.02464	2.5
113.02460	23.7
113.42637	1.5
135.04547	21.8
158.47922	1.3
161.04613	1.7
162.97836	1.9
165.29242	1.3
179.24782	1.3
183.83200	1.3
203.26167	1.4
227.06328	1.3
297.09714	1.4
315.10904	4.1
326.96478	4.5
452.31021	1.5
461.16736	9.5
462.39767	1.5
593.20923	100.0
594.20929	4.1
698.33582	1.4
906.68329	1.6
981.58447	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	1055.6886
Annotation	Unknow
Peak:m/z	Relative Intensity
78.13103	0.8
79.16329	0.9
82.06583	0.9
82.98567	0.8
84.00931	1.9
84.68527	0.8
96.92996	0.8
98.01180	0.8
113.07236	5.7
113.88424	0.8
114.05597	1.1
115.08781	3.2
129.10358	8.9
130.08760	1.0
139.08783	2.5
140.07219	2.5
141.06718	3.8
151.08823	1.4
153.06729	7.0
155.08316	1.4
164.09544	1.3
169.09749	1.1
183.15034	1.3
194.12978	1.4
195.15117	1.1
197.16588	2.1
207.15022	3.7
209.13028	5.5
209.63933	1.0
210.12613	0.8
212.14055	8.4
224.17673	1.3
225.16101	2.3
226.15596	2.2
242.18768	2.9
248.17403	0.9
266.15076	1.3
309.19312	1.9
321.23108	6.0
339.23950	2.8
393.28397	1.0
816.53625	2.1
858.58484	2.8
949.33783	1.0
1011.66211	100.0
1012.66467	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	1060.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02406	4.8
75.41917	0.4
76.33756	0.4
85.02953	4.3
85.37873	0.4
86.02401	1.5
87.00839	0.6
87.05668	0.5
89.02405	1.0
93.56113	0.4
95.01382	2.1
97.04022	0.7
99.05663	3.8
100.80136	0.4
101.02386	0.5
102.05557	0.7
104.09837	0.4
105.03419	0.7
107.04948	1.3
109.04027	0.9
112.04025	0.5
113.02472	8.2
113.03181	0.6
123.05557	0.5
127.04935	0.5
128.03549	12.5
131.03482	1.0
132.02078	1.8
133.02979	19.2
133.03914	0.8
134.03745	3.9
135.04544	54.0
139.02139	1.3
141.06647	0.7
143.04630	16.7
146.04485	1.5
149.04356	0.6
151.03998	1.1
161.02460	42.5
161.04366	1.3
165.00099	0.9
166.00862	0.6
166.09750	0.9
167.01746	12.0
167.04630	0.6
178.38599	0.5
179.03485	49.5
180.03746	0.5
185.02762	2.2
188.48820	0.5
192.99545	1.6
200.06561	0.4
210.08861	3.4
251.05637	0.6
254.07872	3.7
272.08896	21.1
306.07523	1.9
342.82541	0.5
347.07776	0.6
476.37137	0.5
493.13849	6.6
619.18878	0.7
625.18250	9.5
753.22510	1.1
787.21301	100.0
788.21234	2.5
898.28552	2.2
931.26453	1.4
1042.31262	0.6
1060.31042	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.51
Annotation	Unknow
Peak:m/z	Relative Intensity
85.00412	0.6
88.98814	100.0
94.47132	0.6
113.07243	0.9
137.07289	0.9
153.06738	1.2
155.08307	1.4
170.09367	1.3
172.10957	1.2
226.15648	1.0
241.50612	0.6
251.15028	0.8
326.18344	1.4
679.93054	0.7
856.67029	0.7
928.49512	13.8
929.49963	3.2
930.50250	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	1062.6121
Annotation	Unknow
Peak:m/z	Relative Intensity
76.50153	0.5
82.06635	1.5
85.04090	0.8
93.11290	0.5
97.00433	0.6
98.21921	1.2
99.02015	1.8
101.59620	0.5
111.02034	0.7
113.07226	26.7
114.05592	1.4
115.08779	3.6
116.05044	2.0
116.07246	1.5
118.06613	1.3
122.14493	0.6
123.05642	0.7
125.07205	2.2
126.05635	1.1
135.04466	0.7
136.05260	0.6
137.07254	1.7
138.97144	0.5
139.05176	0.6
139.08818	1.8
141.06693	3.4
141.10368	0.8
146.06146	3.7
151.08771	3.7
152.08263	0.6
153.06686	0.7
154.06247	0.6
154.09866	0.5
155.08287	1.4
158.06133	4.9
160.07697	2.1
161.02411	1.2
165.14000	0.8
166.08673	0.8
167.08260	1.9
167.11893	1.3
168.11420	3.0
169.09883	0.8
170.09439	1.1
172.10876	0.9
177.10327	0.6
178.06189	0.6
181.13460	4.1
183.08842	0.7
184.10927	2.2
185.07143	2.6
186.05618	2.3
186.12482	1.2
191.11940	1.7
195.11392	1.7
199.12451	1.5
203.08278	24.7
208.14616	1.3
209.12953	11.3
210.12544	0.6
212.14101	3.1
215.11841	1.8
220.10860	0.7
222.11200	0.7
222.16109	1.3
226.15660	4.6
238.15660	0.8
242.12509	0.5
243.11386	2.0
246.08868	0.5
257.13000	0.7
260.14050	1.4
262.19318	0.7
264.20862	1.8
265.16693	10.6
269.16229	1.4
283.17758	4.0
284.13977	3.4
290.18732	0.6
299.15134	2.3
302.15109	1.2
305.19894	3.8
317.16196	9.2
323.20880	2.0
335.24512	1.3
399.20450	3.7
432.29971	3.5
513.28131	1.4
527.29608	1.0
605.90027	0.5
632.31390	0.6
723.42047	1.4
756.35968	0.6
762.27075	0.7
794.45966	1.5
879.52051	6.7
988.61987	0.8
990.57794	6.5
1032.60083	100.0
1033.59851	3.7
1044.59937	9.5
1062.61340	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	1068.687
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05047	0.6
82.06653	0.8
84.55054	0.7
98.21856	1.3
101.48367	0.6
110.03607	0.8
111.02020	0.8
112.07699	0.8
113.07217	2.5
116.05067	2.7
118.06647	1.9
129.10349	14.3
130.08795	0.8
131.05034	0.7
139.08763	2.7
140.07178	2.2
146.06104	1.9
151.82347	0.5
152.39461	0.6
155.08273	5.8
163.08817	0.6
164.09543	1.1
167.08359	0.8
174.05521	1.3
178.11108	1.2
181.13489	1.2
195.14970	1.1
197.16643	3.4
199.18361	0.9
207.15036	13.3
208.14722	0.9
209.12889	1.5
223.12035	1.1
224.17659	3.7
225.16049	2.8
226.15619	10.9
241.13525	2.3
242.11879	2.2
242.18733	13.1
259.14474	4.0
276.16962	0.8
277.57977	0.7
310.24820	0.9
337.26132	8.1
354.21951	2.8
355.22354	0.9
355.27121	4.3
356.19629	1.8
371.24301	1.2
372.22983	2.4
373.22513	1.2
433.23801	0.6
468.35822	2.5
577.68652	0.7
598.39252	1.0
615.42853	0.7
688.62585	0.8
776.67981	0.7
825.55975	8.4
859.54510	2.0
1024.68457	0.9
1068.68726	100.0
1069.68127	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	1069.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36802	0.9
78.37350	0.9
83.01390	3.7
85.02956	13.1
86.00120	1.3
87.00870	3.8
89.02456	11.1
95.01404	2.1
96.95986	2.5
97.02933	1.3
98.22639	1.0
99.00882	2.0
101.02451	24.4
113.02465	13.6
115.00343	1.5
119.03511	5.8
125.02448	3.6
127.04019	1.4
131.03542	1.2
134.03761	1.9
135.04518	1.6
143.03543	2.3
161.02452	2.4
161.04533	3.6
167.10732	3.2
171.79912	1.0
175.13237	0.9
179.03464	1.1
179.05553	1.8
183.10258	5.9
184.10580	1.4
185.11775	1.0
200.05634	1.9
214.20763	0.9
221.06696	2.3
284.42395	1.0
303.18066	1.5
347.17117	100.0
473.16434	2.2
491.17764	13.2
533.18634	4.6
557.44617	1.0
601.21600	2.9
619.22308	3.7
623.20294	1.2
637.23425	3.7
647.29529	1.0
661.23419	6.9
679.12811	1.4
679.24634	27.4
721.25641	49.3
1051.37097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
78.34236	0.2
78.95906	1.1
79.54749	0.3
79.95744	10.1
85.61729	0.3
94.92548	1.7
94.98097	0.8
96.92223	1.0
96.96022	100.0
97.46075	0.3
98.22711	0.4
100.84305	0.3
101.75811	0.3
124.96751	0.5
155.08267	0.3
162.52458	0.3
163.05128	0.6
165.45322	0.3
170.09497	0.3
172.11005	0.5
212.10934	0.3
285.08838	0.4
326.18524	0.3
446.17706	0.3
497.81979	0.3
552.55084	0.3
596.17474	0.3
600.00146	0.3
606.12195	0.3
749.74976	0.3
860.40314	0.5
928.50067	2.1
929.50214	0.4
950.47430	0.7
966.44360	14.3
967.43872	0.7
1091.77832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02483	1.0
74.98098	0.9
80.05056	0.7
82.02996	1.3
82.06621	1.9
83.02517	2.1
84.00885	0.8
87.05634	2.7
88.04037	1.1
91.05524	2.2
93.03455	1.8
94.02940	0.7
94.06649	1.2
95.02507	7.0
97.04060	1.1
98.22622	2.8
99.02010	9.1
99.05666	1.0
100.07671	1.0
109.04085	4.5
110.02490	1.3
111.01998	1.7
111.05643	1.4
112.04031	0.9
112.05195	4.3
113.03584	10.7
113.07220	19.6
114.05601	1.8
115.09866	0.7
116.05048	3.2
118.06665	1.7
119.05023	35.6
123.03342	0.9
123.05631	1.3
124.04040	1.0
125.03541	0.9
126.06766	4.0
127.05146	8.9
127.08776	1.0
128.02690	1.0
128.03568	8.5
129.10266	0.8
130.06245	8.6
131.03752	1.7
131.05023	1.0
133.02927	1.7
134.06088	0.7
135.04594	1.1
136.04066	1.5
136.11348	1.9
138.05641	5.8
139.05141	7.5
139.08778	0.9
140.07166	7.7
140.08249	1.4
141.06747	0.8
144.07782	2.6
146.06122	2.9
151.05165	1.3
152.05910	1.5
152.08331	1.2
153.06685	6.5
155.08298	1.8
156.04149	12.8
158.06091	1.3
161.02480	1.5
162.05586	2.6
165.06688	1.4
166.06126	1.2
167.04637	2.0
170.05743	1.6
170.09381	8.5
174.05638	1.3
179.04703	2.2
179.11948	3.0
180.10300	10.3
180.11755	1.2
181.09818	1.3
182.09369	0.8
183.08894	3.7
183.66396	0.8
184.07297	1.3
184.10858	1.1
191.11839	1.4
193.09810	1.1
195.11383	1.5
197.13051	1.0
198.09100	1.1
199.12410	3.2
200.10828	2.4
201.06699	1.5
201.09898	1.3
202.05099	2.2
209.10448	13.2
209.12895	3.7
210.08810	1.2
210.12421	2.3
214.08806	0.8
215.11903	2.6
215.39252	0.7
219.07755	7.5
222.12463	4.6
223.10867	13.7
226.08711	1.7
227.11452	7.8
228.10359	1.6
231.11452	1.2
236.10358	2.3
240.13553	1.2
241.11990	1.1
243.11426	11.5
253.09406	1.3
260.14099	0.9
262.08191	1.0
267.14871	0.8
276.13382	1.4
279.15125	1.2
297.16016	1.8
300.13687	0.9
319.17883	1.7
320.16162	1.9
322.15359	1.1
324.16702	2.2
333.15536	4.2
336.17279	0.8
337.18842	1.6
340.16635	7.8
357.19366	1.4
397.18857	1.1
411.24176	1.7
430.20670	2.1
454.20804	2.6
560.25116	1.3
568.29230	2.9
674.33380	3.9
678.36133	1.1
761.01514	0.9
881.41614	1.5
898.44666	22.2
955.38647	0.8
1009.48645	2.1
1027.49036	86.8
1028.49500	2.5
1053.50610	2.4
1071.51624	100.0
1072.52795	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	1074.5462
Annotation	Prorocentrolide B
Peak:m/z	Relative Intensity
84.00909	2.0
97.04123	1.5
99.02058	1.8
109.00146	1.4
113.07225	13.8
116.05092	1.6
119.94653	1.4
125.03587	3.0
126.88766	1.4
127.05152	4.7
129.10332	3.3
136.04045	1.4
139.05151	3.5
139.08803	1.3
141.10435	1.7
150.05563	1.6
151.05194	1.4
151.08792	1.7
153.06752	5.5
153.10349	4.5
155.08272	3.4
161.02515	2.4
165.06702	3.5
167.08272	10.7
168.07967	2.2
169.09868	5.4
170.09361	3.0
186.12489	1.6
193.09840	2.6
195.11398	1.4
196.11006	3.0
209.12941	2.1
222.16203	2.0
226.15591	8.6
254.15163	1.6
265.16711	1.9
266.15067	4.8
272.63431	1.5
283.17761	3.3
290.15088	2.0
309.19580	1.6
319.89493	1.8
728.40955	1.8
792.40680	6.5
881.48352	6.5
945.48804	31.4
1010.54364	13.0
1018.71460	2.2
1074.54590	100.0
1075.54688	3.6
1113.40881	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	1075.352
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	4.1
84.02183	0.9
85.02957	100.0
87.00876	1.0
89.00334	0.9
89.03969	0.7
91.01856	0.5
95.01375	0.4
99.00907	0.4
101.02456	0.9
103.00387	0.4
106.00616	0.8
108.02114	0.3
111.00895	13.2
117.03465	1.4
121.02974	7.6
122.75796	0.3
123.00906	1.7
123.04503	0.3
124.01646	0.5
127.00378	0.4
129.01958	52.9
132.02168	0.6
133.58316	0.3
134.03754	19.9
137.02467	1.0
138.03250	2.5
139.00421	0.9
139.04021	0.7
145.01468	0.5
147.03009	8.5
149.06113	2.3
153.05586	7.1
154.02647	0.4
160.01678	1.7
161.02371	0.5
162.03268	0.5
166.02701	0.3
166.99860	1.1
173.00931	20.5
175.04013	4.0
178.02721	1.6
179.03444	0.5
182.02232	2.7
191.01991	9.3
193.05077	18.9
196.03813	0.6
197.04567	18.0
209.03079	1.2
211.06065	0.5
222.05373	0.9
229.91406	0.5
237.07721	1.0
250.04822	0.6
261.07721	1.8
265.07199	4.9
274.16931	0.3
293.96439	0.3
305.06860	0.5
309.06186	0.8
321.03418	0.4
323.07672	3.5
327.07254	11.2
353.05313	0.7
367.06720	17.4
371.06229	17.5
385.07797	5.1
389.07248	8.2
524.65271	0.3
565.12012	10.5
579.46680	0.4
603.07098	0.5
696.90057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00928	0.9
85.01343	0.6
88.21416	0.6
95.02505	0.9
103.00431	6.7
103.01506	21.5
113.07228	5.6
113.26477	0.8
115.08800	1.9
116.05052	2.0
119.05043	0.9
125.07194	1.6
137.07237	3.9
141.06752	1.5
151.08739	1.1
153.06708	4.1
154.09846	1.7
154.76817	0.8
155.08258	4.9
162.18903	0.7
170.09369	3.7
172.10925	6.4
174.05553	1.1
177.06731	0.7
178.06094	0.8
182.09416	0.8
194.09383	3.1
198.08809	1.2
208.14642	1.1
226.15625	5.4
242.11884	0.9
243.11377	0.8
251.15201	4.3
252.13519	1.4
269.16248	2.0
282.68436	0.8
300.13364	1.1
306.01642	0.8
308.17206	1.7
326.18289	8.0
355.21591	0.9
381.18954	0.8
425.25372	1.7
447.23422	1.0
456.22998	0.9
464.52100	0.9
561.31128	1.8
578.44226	0.8
683.38812	3.0
685.37451	4.1
732.37469	1.3
772.83826	0.9
822.45154	6.2
928.49481	100.0
929.49548	2.6
954.51556	0.9
972.46454	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	108.0219
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
66.03476	7.3
67.03004	4.7
70.54720	2.7
70.55069	3.0
80.02667	5.3
80.05045	3.2
81.03469	5.7
107.03779	7.0
108.02183	100.0
108.04575	67.0
109.02982	57.1
109.04070	15.1
127.56229	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	1081.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01414	0.6
85.02961	0.4
87.46302	0.2
101.02489	0.4
107.01395	1.6
108.02206	0.6
109.02287	0.2
109.02953	1.1
121.02972	1.1
133.02997	0.3
135.00943	0.4
135.04520	0.5
137.02383	0.2
148.01718	0.6
151.00386	6.3
159.04587	0.3
161.02461	0.5
163.00375	1.6
164.01117	0.4
169.01518	0.4
178.99870	3.8
179.03499	0.7
180.43932	0.2
187.03993	0.4
196.58995	0.2
198.03267	0.3
199.04007	0.5
207.65399	0.2
211.04004	0.6
215.03534	0.4
221.04469	0.4
226.02731	0.9
227.03526	1.5
239.03548	0.2
243.03001	5.7
244.03769	0.5
245.04562	0.5
254.02261	1.3
255.03006	15.8
256.03415	0.5
271.02505	36.1
272.03036	1.8
273.03995	0.9
273.34055	0.3
281.06619	0.3
283.02655	0.8
284.94189	0.3
297.04285	0.3
299.01944	0.9
300.02771	70.4
301.03522	24.1
301.07227	0.4
302.03424	0.8
309.11954	0.6
343.04706	0.5
366.49689	0.2
392.85596	0.3
471.15082	2.7
553.25439	0.2
591.23566	0.3
609.14630	100.0
610.14941	3.1
611.15570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.7
85.02942	0.4
87.48790	0.3
93.03488	0.3
103.79285	0.3
107.01411	1.4
108.02163	0.7
109.02927	0.6
121.02974	1.0
133.02922	0.3
135.00868	0.4
147.59450	0.3
148.01741	0.6
151.00386	7.0
161.02435	0.6
161.50757	0.2
163.00366	1.0
164.01149	0.3
169.01370	0.3
178.99876	3.3
179.03517	0.3
183.04517	0.3
199.04050	0.5
211.04016	0.5
215.03415	0.3
216.04300	0.5
226.02747	0.8
227.03545	1.8
229.05078	0.4
239.03514	0.3
241.01559	0.4
243.02977	5.6
245.04570	0.8
254.02200	1.0
255.02989	16.1
256.03445	0.7
270.01678	0.5
271.02499	32.0
272.02979	2.1
273.03882	0.4
283.02472	0.7
299.02051	1.6
300.02768	58.8
301.03510	22.6
301.39020	0.3
302.03735	1.2
303.04144	0.5
343.04480	0.5
607.13123	0.7
608.13593	0.7
609.14624	100.0
610.15106	4.4
611.15057	3.2
669.09851	0.4
691.16144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	5.5
84.02168	1.4
85.02960	100.0
87.00857	0.6
89.00346	1.1
91.01910	0.8
98.21887	1.1
101.02449	0.8
103.00386	0.9
106.00613	0.7
111.00887	12.2
117.03465	1.0
121.02163	1.0
121.02977	13.2
123.00903	1.7
129.01961	50.2
132.02173	1.2
134.03755	13.7
134.04726	0.9
135.04536	0.6
136.98846	0.5
137.02437	0.6
138.03261	2.2
139.00395	1.0
147.03030	9.5
149.06090	2.1
153.05580	11.1
153.06740	0.9
158.90259	0.4
160.01691	4.4
161.02455	0.6
162.63475	0.5
166.99835	0.7
173.00934	22.9
175.04004	4.7
178.02779	1.0
179.03343	0.5
182.02274	3.0
191.01997	8.9
191.03618	0.9
193.05077	12.2
193.06766	0.9
197.04573	28.4
209.03029	1.5
218.05891	1.0
222.05423	0.7
235.49492	0.5
237.07739	1.0
261.07645	3.1
265.07162	3.4
323.07785	6.8
327.07266	6.4
367.06750	11.3
371.06232	29.3
385.07733	3.5
389.07281	10.5
421.42316	0.6
529.04645	0.5
565.12073	9.7
743.34778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
76.69076	0.2
80.25757	0.2
83.01389	0.5
85.02959	2.3
86.48531	0.2
89.02451	3.7
90.19766	0.3
95.01420	0.6
96.95999	0.3
97.06606	0.4
101.02454	2.0
113.02457	2.8
115.00384	7.7
119.03528	1.3
128.59698	0.3
133.01379	0.3
135.08208	1.5
137.09734	23.8
145.22031	0.2
151.00383	0.9
152.01402	0.3
155.10791	100.0
156.11115	0.7
161.04659	0.4
163.00378	0.3
178.99857	0.4
179.05609	0.8
179.10771	1.8
181.08739	0.7
199.09770	79.6
200.10168	0.5
223.09729	2.6
227.03517	0.3
241.10808	0.7
243.03072	0.6
255.02943	1.6
271.02536	3.8
272.03064	0.4
300.02756	6.8
301.03516	2.2
301.12793	0.4
315.10898	0.4
361.15060	62.9
362.15424	0.7
477.16165	32.3
478.16162	0.5
609.14648	9.9
610.15179	0.4
611.15533	0.4
849.49469	0.3
946.65826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95916	13.3
81.77238	0.7
98.13567	0.8
110.98521	6.2
167.01151	2.5
183.67940	0.7
185.02208	4.0
233.22679	1.3
259.20773	1.0
277.21750	100.0
278.22205	0.8
445.23608	33.4
486.89377	0.8
491.56134	0.7
641.21722	0.8
707.06195	0.9
724.45581	0.8
919.45502	2.8
1087.46973	30.2
1088.49463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
82.11880	1.9
85.02947	13.0
87.00880	2.5
89.02461	2.7
92.14309	1.7
95.01408	3.9
97.25053	1.9
98.22539	2.0
101.02441	3.6
113.02465	24.4
131.03528	3.4
132.02138	9.4
133.02975	69.3
134.03749	2.6
135.04549	13.6
148.03964	2.0
161.02457	100.0
179.03485	6.6
191.05652	1.7
197.15083	1.7
230.03198	1.7
294.97849	1.8
307.22778	2.3
332.71341	1.6
378.24295	3.9
392.26089	4.0
392.91861	1.7
420.25275	2.3
452.28140	21.3
470.29156	2.6
477.37296	2.0
504.60019	1.6
598.94769	2.0
860.79626	1.8
910.44489	49.1
928.45532	31.9
1072.47778	49.8
1090.48901	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.6647
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06586	0.7
82.95422	2.2
84.00924	1.1
93.91071	0.6
98.01244	0.8
104.22872	0.6
107.32568	0.6
113.07225	4.9
114.05634	0.8
115.08811	3.4
127.05180	1.0
129.10381	5.8
130.08781	0.9
139.08781	0.9
140.07176	2.0
141.06711	2.3
151.08798	0.7
152.05995	0.8
153.06747	5.2
155.08287	1.9
167.04504	0.8
169.09773	0.7
179.12012	0.7
181.13550	0.9
183.15105	0.7
186.12451	1.0
193.13531	1.1
195.11406	2.3
197.16550	1.1
207.15118	3.0
209.12929	3.2
212.14034	6.7
222.12502	1.3
224.17690	1.1
225.16150	1.1
226.15643	1.4
228.17128	0.7
240.13515	0.7
242.18782	1.8
266.15118	1.7
268.16528	0.8
307.21378	1.0
309.19324	1.3
321.22842	3.5
321.68857	0.6
339.24008	3.2
512.51917	0.6
662.45697	0.8
716.51123	1.1
816.53290	1.1
858.58350	2.4
988.58148	1.2
1006.59869	10.6
1007.60248	1.7
1011.66223	100.0
1012.66693	2.1
1028.57849	7.6
1031.58215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02523	1.2
84.00932	1.5
91.20602	0.7
93.03457	1.2
95.01903	0.8
95.02516	17.0
95.03091	1.3
97.04070	0.7
99.02013	6.4
110.03615	0.9
111.02053	0.7
112.05193	2.7
113.03587	1.4
113.07218	13.1
115.08784	6.2
116.05070	5.2
118.06630	1.4
119.05064	6.8
123.05640	1.0
124.04021	1.2
125.03574	0.9
125.07214	3.1
130.06215	2.0
130.09845	0.6
135.04564	1.2
135.05608	1.4
135.74554	0.6
136.04105	0.9
136.05145	0.7
137.07269	1.1
139.05141	0.9
139.08852	0.8
141.06715	4.3
146.06149	1.7
151.07497	0.8
152.08302	3.1
153.05542	1.0
153.06721	12.9
154.06227	0.8
155.08240	0.6
156.04210	1.3
156.07802	2.3
158.06155	1.0
160.07744	0.7
162.05623	5.0
164.09624	1.3
167.11951	1.7
167.13335	0.7
168.07741	0.8
169.11057	0.8
169.13457	0.7
170.09361	15.6
174.05618	2.2
179.04697	1.2
179.08325	1.5
179.11938	6.9
180.07846	0.7
182.09218	1.3
184.11017	0.9
186.05685	1.1
187.12013	1.4
194.10526	1.0
194.13066	1.6
195.08954	1.8
195.11322	3.4
196.14542	3.0
200.10939	0.9
201.06621	1.0
203.08264	1.7
207.08878	3.0
209.10454	15.2
210.93460	0.8
212.11792	1.4
212.14046	14.5
213.09990	1.2
214.15604	2.5
224.14049	0.9
226.13159	0.7
227.11578	8.6
228.10301	2.1
236.10384	0.9
240.13493	1.2
243.11427	2.1
244.14426	0.8
245.13179	0.8
251.15111	2.4
266.16150	0.8
266.18793	1.2
267.14688	2.6
269.16214	1.2
276.13412	1.1
293.16730	0.6
293.19858	13.4
300.13620	2.7
309.16702	0.9
311.20923	6.7
315.14606	2.5
333.15771	5.4
336.94611	0.8
339.14462	1.0
350.18442	1.1
357.15405	0.9
368.23041	1.0
373.85126	0.7
383.21188	0.8
392.20819	0.8
397.25635	0.9
398.21552	1.0
409.21600	0.8
458.27634	1.3
596.35040	0.7
690.70428	0.7
742.39972	2.7
750.48370	0.7
775.28638	1.3
775.41608	15.2
871.45740	6.9
929.48663	2.3
971.51154	53.7
972.50604	0.9
983.50354	0.8
994.51959	0.9
1058.55042	3.8
1083.53784	1.0
1100.56921	100.0
1101.57532	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	1101.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	5.6
84.02184	1.4
85.02956	100.0
86.03314	0.5
87.00893	0.7
87.53685	0.4
89.00331	1.4
91.01898	0.9
93.03449	0.6
99.00854	0.5
101.02431	1.1
106.00637	1.3
111.00891	14.8
117.03468	1.5
119.05034	6.6
121.02972	18.7
123.00906	2.0
127.00417	0.5
129.01956	56.3
132.02135	0.9
133.02931	0.5
134.03757	8.5
137.02423	0.8
138.03239	2.1
139.00435	0.8
139.04042	0.9
142.03310	0.4
145.01489	0.5
145.01775	0.6
145.02965	4.7
147.01982	0.8
147.03021	10.0
149.06090	1.1
150.55638	0.5
153.05585	11.5
160.01707	2.9
161.02469	1.0
162.03220	0.8
163.04031	5.2
166.99905	0.7
173.00929	26.0
175.04015	4.5
178.02773	0.6
182.02187	2.3
190.96783	0.6
191.01990	12.5
191.03610	0.9
193.05063	7.0
196.03903	0.6
197.04562	35.2
209.02960	2.5
222.05388	0.6
231.06596	0.9
261.07690	1.9
265.07104	2.8
282.25702	0.5
286.18750	0.5
293.06677	2.8
323.07782	5.1
327.07239	5.7
331.46875	0.5
337.05615	2.5
341.05331	0.7
355.06781	1.0
363.98163	0.5
367.06705	5.1
371.06210	28.4
372.06680	0.7
385.07785	2.2
389.02548	0.9
389.07321	13.9
535.11017	5.6
565.12048	6.3
1121.04846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95882	1.0
82.56840	0.3
82.60135	0.2
84.90604	0.3
98.22770	0.5
117.09538	0.3
125.12420	0.3
279.23322	5.2
390.86472	0.3
437.12628	0.3
438.13675	0.6
451.14029	0.8
452.15012	2.3
465.16348	0.4
476.27673	0.7
479.17355	0.3
480.14352	1.1
481.15106	6.5
483.20688	0.3
493.15527	1.4
494.15952	0.9
495.16864	10.2
498.15317	0.6
507.16754	0.9
508.18103	1.9
509.18204	1.1
518.16113	0.3
521.14618	0.8
522.15277	0.4
523.16376	0.8
523.20123	0.7
526.15045	0.3
533.18396	0.8
535.16187	1.5
536.16968	2.6
539.15637	0.6
540.16888	3.9
549.16956	0.4
551.19440	35.9
552.19855	0.8
553.17383	0.4
554.18384	1.8
555.18842	0.8
567.19159	0.6
568.16180	0.5
572.15448	1.9
583.21954	0.5
586.17072	2.6
595.18353	1.8
627.21063	100.0
628.21368	2.2
838.00647	0.3
854.70959	0.3
1104.48901	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	1107.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
78.58954	1.2
83.01389	4.7
85.02959	100.0
111.00891	11.1
112.22574	1.2
117.03478	1.8
121.02968	10.0
123.00881	1.6
129.01955	53.2
134.03745	19.9
138.03299	1.1
140.65933	1.2
147.03040	8.8
149.06093	2.1
150.04718	1.3
153.05580	5.8
160.01649	1.7
161.02440	1.2
173.00935	23.0
175.04028	3.9
182.02130	2.4
191.01967	10.8
193.05080	23.9
197.04562	20.8
222.05298	1.4
261.07779	2.2
265.07169	8.2
319.03424	1.3
323.07733	4.0
327.07275	16.5
367.06750	17.2
371.06326	18.1
385.07867	7.4
389.07162	8.0
396.02853	1.2
565.12158	9.6
827.14386	1.4
1107.38098	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	1109.6411
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05061	0.5
82.01714	0.3
82.02982	0.4
84.00909	0.5
87.05647	0.9
88.04084	0.2
91.05546	0.4
91.26131	0.2
93.03452	0.7
93.08224	0.2
94.06562	0.3
96.03327	0.2
98.01221	0.6
99.02026	0.3
108.03311	0.6
109.04092	0.7
111.01965	0.4
111.05627	0.5
113.03574	0.7
113.07224	12.2
114.05650	0.9
115.05571	0.3
116.05087	0.3
117.03461	0.3
118.06627	1.0
119.05037	16.1
123.05655	0.4
124.02825	0.7
125.05928	0.6
125.07257	0.5
126.05617	1.8
126.09225	0.3
127.08796	0.3
129.10355	5.2
129.62537	0.2
131.04997	0.3
132.84129	0.3
133.05313	0.4
134.06160	0.4
135.05568	0.3
137.07158	0.3
139.05150	3.2
139.08762	2.2
140.07220	1.3
141.10335	1.2
143.11890	0.4
145.02991	0.6
146.06087	0.6
151.05119	0.9
151.07655	0.3
151.08780	1.1
152.05917	0.5
152.07109	0.4
152.10851	0.3
153.06706	1.3
153.10355	0.4
154.08763	0.4
155.08289	2.9
155.11917	0.9
157.05354	0.8
165.06683	0.8
165.10344	10.7
166.08615	0.3
166.12457	0.4
167.04608	0.9
167.08221	1.6
168.07797	0.4
169.09897	1.3
180.11461	0.5
181.09837	1.6
181.13443	1.2
182.13007	5.3
182.14514	0.2
183.11375	0.6
184.10980	1.3
185.04895	0.4
186.12440	0.4
193.09906	0.4
195.11377	0.7
200.10796	0.4
200.14069	2.7
201.04333	0.7
208.10934	1.8
208.14609	1.2
209.12961	8.5
209.14902	0.5
210.12553	1.1
214.12355	1.4
222.11243	1.0
222.16066	1.4
226.12302	1.6
226.15617	18.0
228.10289	2.1
231.14998	0.9
240.17073	0.3
245.12892	0.6
252.17143	0.6
258.11258	1.9
264.13562	0.5
265.16437	0.3
266.15164	1.7
275.13995	0.3
279.18277	10.8
283.17801	0.6
296.19974	0.3
297.19388	2.3
305.16220	0.4
306.18268	0.4
313.38309	0.3
314.22379	0.6
323.17142	0.5
335.24368	0.8
337.22415	0.5
351.24005	0.7
376.23550	2.7
379.23587	0.5
394.24606	1.2
396.26208	0.3
468.26016	0.3
474.13208	0.3
493.31503	0.3
501.50974	0.3
547.36115	1.2
572.35645	0.8
590.36511	0.9
640.38660	0.3
696.40906	1.9
729.46985	0.4
850.52155	0.7
855.77808	0.3
880.53137	15.2
881.53210	0.5
920.79205	0.3
942.54443	0.8
1003.60345	0.7
1014.82556	0.3
1065.65100	0.8
1109.64099	100.0
1110.62903	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00101	1.4
53.78337	1.2
67.01896	96.8
68.00080	1.3
68.02228	4.3
78.95914	48.0
98.22069	1.3
101.98469	1.4
111.00893	100.0
112.01230	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01876	4.4
67.01896	84.7
67.43486	1.3
67.98891	1.3
68.02229	2.3
69.69615	1.1
70.82862	1.3
78.95912	73.7
83.01395	11.0
85.02998	1.3
99.78164	1.0
111.00890	100.0
112.00491	1.5
112.01245	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	1113.6468
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06642	0.5
82.62284	0.4
83.02494	1.0
85.04088	0.9
87.05659	0.5
95.02531	0.7
96.00923	18.6
96.01535	1.0
96.04604	0.4
98.01268	0.5
98.02491	1.0
99.02015	2.9
109.04081	1.2
110.02509	0.6
111.02023	2.0
111.05661	0.4
112.02862	0.5
113.03593	2.3
113.07221	14.6
114.05591	1.0
116.05058	4.6
116.92918	0.7
122.04883	3.0
123.03281	0.5
123.05687	0.7
125.03553	0.5
129.10353	9.6
130.06659	0.6
130.08795	0.7
136.06451	0.7
136.11356	0.6
139.05150	1.4
139.08807	2.7
140.07175	2.7
141.10338	0.8
142.06659	1.7
143.11868	0.6
149.07275	0.5
150.09267	0.4
151.08780	16.6
152.05849	0.5
153.06693	0.8
153.10339	1.0
155.03392	4.2
155.08276	7.0
155.11890	0.6
157.07779	0.6
165.06691	0.8
165.10350	6.1
167.04646	0.9
167.08272	3.8
168.11429	4.7
169.09871	2.4
181.09819	0.5
181.13474	2.5
182.12973	3.2
183.11415	1.0
184.10921	5.2
185.07225	1.2
186.12494	19.4
186.14165	1.0
190.06224	0.6
191.11977	0.6
193.09933	0.7
194.09319	0.6
195.15083	0.7
196.10947	1.0
197.16675	1.5
200.14081	1.6
202.09891	1.3
208.09599	0.9
208.13268	0.6
209.12953	9.3
210.12521	1.7
212.10426	9.6
222.11302	1.0
225.16119	2.7
226.12015	1.5
226.15587	2.8
236.17834	0.5
238.15627	1.2
240.17268	1.1
242.18794	1.4
262.19312	1.3
265.16702	14.7
277.16849	0.5
279.18277	15.6
283.17776	24.3
297.19357	5.4
306.18323	1.4
315.18344	0.9
322.21320	0.5
323.20892	0.9
340.26117	0.8
362.22141	0.8
380.23087	7.0
393.29166	0.7
412.23514	1.9
492.77109	0.5
506.37018	1.9
509.28806	1.1
523.36713	0.6
541.86163	0.5
549.37683	0.9
577.40625	0.9
606.40112	2.0
620.41730	0.8
658.22113	0.4
674.45868	2.1
710.43829	0.6
717.46704	2.8
719.48792	1.5
762.84442	0.5
787.87970	0.5
813.52417	0.7
830.55505	0.6
848.54443	2.9
874.52283	0.8
887.57544	2.1
919.58936	0.8
945.55865	2.3
984.58899	1.2
1016.63165	100.0
1017.63385	2.3
1070.62976	0.9
1095.63660	27.2
1096.64392	0.8
1113.64709	91.0
1114.64063	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	1113.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
79.00271	0.5
80.05036	0.6
82.80592	0.5
83.02502	1.3
85.04031	0.7
87.05605	0.7
95.02507	1.2
96.00925	22.7
96.04556	0.6
97.04083	0.6
98.01167	0.7
98.02455	1.3
99.02014	3.1
99.72710	0.5
109.04047	1.0
111.01999	1.5
111.05651	1.2
112.02677	0.6
113.03572	2.4
113.07223	16.1
114.05609	1.1
116.05078	4.7
122.04856	3.2
124.03973	0.5
125.03575	0.6
126.09167	0.6
129.10344	8.9
130.06564	0.8
130.08705	0.8
135.02031	0.6
136.06343	0.9
136.11299	1.1
139.05127	0.7
139.08788	3.6
140.07230	2.6
141.10326	0.9
142.06595	1.5
149.07190	0.7
151.05138	0.5
151.08778	18.3
152.05827	0.7
153.06653	0.9
153.10374	1.0
155.03380	5.2
155.08273	8.0
155.11856	1.0
157.07632	0.6
164.07043	0.5
165.06668	1.4
165.10339	6.6
166.08727	0.7
167.08282	5.4
167.11971	0.6
168.11401	4.9
169.09839	3.0
170.09413	0.6
171.64412	0.5
181.09930	0.6
181.13425	2.1
182.05600	0.5
182.13004	2.8
183.11354	0.9
184.10905	6.5
185.07158	2.3
186.12494	23.9
190.06305	0.7
193.09793	0.5
194.09343	0.6
195.11374	0.9
195.14992	1.4
196.10918	1.1
197.16548	2.1
200.14011	1.5
202.09846	1.2
207.14915	0.8
208.13290	0.7
209.12956	10.4
210.12453	2.3
212.10406	11.4
222.11234	1.4
225.16109	3.1
226.11977	1.1
226.15593	2.9
226.81349	0.6
227.17671	0.6
228.95963	0.5
238.15578	2.0
240.17084	1.1
242.18668	1.5
252.16858	0.7
262.19199	1.3
265.14001	1.0
265.16702	17.5
277.16498	0.7
279.18280	18.5
280.14700	0.7
283.17755	30.0
297.19296	5.9
306.18262	1.9
312.95776	0.5
313.96289	0.6
315.18097	1.1
318.60226	0.6
323.21072	0.7
349.26193	0.7
362.21982	1.2
380.23035	7.9
393.28680	0.9
412.23416	2.0
506.36673	1.1
509.28915	1.1
540.56482	0.6
606.39868	1.6
674.45795	2.0
717.46503	2.2
719.47961	1.4
735.46906	0.7
830.55823	0.9
848.54315	3.8
887.57147	2.2
919.57996	0.9
945.57440	2.4
984.58740	0.7
998.62268	0.8
1016.63110	100.0
1017.63525	2.0
1062.50818	0.6
1070.64783	0.8
1095.63599	26.0
1096.63269	1.2
1113.64709	92.2
1114.64709	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	1121.6415
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06631	1.0
84.08220	0.4
91.05539	0.3
92.04343	0.3
93.03482	0.7
95.02519	0.4
96.17320	0.3
97.00440	0.4
98.01225	0.4
98.97528	0.3
99.02026	0.3
104.29591	0.3
111.02019	0.5
111.04379	0.4
113.07221	11.4
114.05628	1.8
115.08784	1.7
116.05073	1.2
117.03427	0.5
118.06669	1.2
119.05039	18.5
122.09769	0.4
124.04026	0.5
125.07219	1.0
127.08779	0.6
129.02138	0.3
129.10358	2.3
134.06180	0.5
135.05698	0.5
136.04060	0.5
136.11305	0.4
137.07222	7.4
137.09784	0.3
139.05153	2.6
139.08762	1.5
140.07179	1.6
141.06699	4.2
141.10307	0.4
146.06131	0.7
152.05925	1.1
152.10808	0.5
153.06651	1.6
153.10318	0.4
154.09879	2.8
155.08292	3.2
162.05663	1.5
165.06732	0.8
166.12392	1.3
167.04616	1.6
167.11931	0.6
170.09396	3.1
172.10965	1.2
174.05652	0.8
179.04727	0.5
180.07695	0.7
181.09859	0.3
181.13490	2.4
183.15068	1.0
191.11826	0.4
192.11499	1.0
193.09831	0.6
193.13467	3.6
194.12921	0.5
195.11380	3.6
198.08902	1.0
200.10825	0.5
206.13066	0.5
207.11523	0.4
208.09697	0.6
208.14673	0.9
209.12967	10.3
210.12515	2.2
210.16069	2.1
211.09720	0.8
211.14569	1.1
212.14027	2.7
216.10297	0.6
223.10985	0.3
223.45131	0.3
224.14076	0.7
226.15593	1.7
228.17148	3.3
231.15094	0.6
238.15523	0.3
241.13470	0.5
242.11897	0.5
243.11388	1.4
250.11967	0.5
251.15164	7.3
254.15109	1.8
260.14059	0.4
261.12347	0.8
267.14630	0.6
267.18359	1.0
269.16226	0.8
276.13562	1.2
278.15225	0.6
281.16687	1.1
285.19281	0.5
288.17273	0.6
292.16644	1.0
305.19940	1.2
306.18243	5.0
311.17007	0.4
323.20868	1.0
324.22974	0.5
336.22897	0.5
342.18188	0.7
348.20334	1.6
359.24603	0.7
361.26157	0.5
364.23651	0.5
366.21512	0.5
375.24451	0.4
377.25467	1.7
382.24643	1.0
391.22900	0.4
394.36716	0.3
402.25247	1.4
405.25629	0.4
415.44626	0.3
420.26260	1.0
477.28531	0.6
616.38251	0.4
772.47772	0.4
876.53790	0.7
878.51593	8.1
1001.58447	1.0
1015.60181	3.5
1077.65320	0.5
1121.64124	100.0
1122.62866	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	113.0246
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01870	14.1
55.33734	3.7
57.03457	35.5
68.99580	17.5
69.03461	8.9
69.34222	13.0
71.01409	6.5
72.00908	10.5
83.90126	3.7
84.02177	23.6
85.02959	100.0
86.02426	4.1
113.02473	25.6
114.01991	7.1
114.05627	23.9
129.48871	4.0
132.22144	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	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
54.36782	6.9
54.55417	6.7
57.03439	27.1
60.23429	6.4
65.12051	6.2
68.99574	100.0
69.03461	11.7
70.17785	8.9
70.18105	12.1
71.01394	13.4
72.00920	32.8
74.80693	6.6
84.02160	15.0
85.02957	78.7
104.47692	6.7
113.02453	34.3
113.06098	70.9
114.01977	28.0
114.05621	28.8
114.06378	9.8
121.43156	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	1131.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01099	0.4
82.59803	0.2
83.01395	4.3
84.02157	1.5
85.02956	100.0
86.03280	0.4
87.00884	0.8
89.00333	0.9
89.03988	0.7
91.01883	0.3
95.01381	0.5
97.52544	0.2
99.00865	0.3
101.02457	0.7
103.00366	0.4
106.00605	1.0
106.04240	0.3
108.02194	0.3
109.02954	0.2
111.00890	12.5
117.03456	1.7
121.02966	10.0
123.00901	2.7
124.01714	0.4
127.00378	0.4
129.01952	55.3
132.02190	0.8
134.03752	21.2
135.04483	0.4
136.98767	0.3
137.02443	0.9
138.03236	3.1
139.00375	1.3
139.03999	1.2
145.01422	0.6
147.03011	9.8
149.06071	2.6
153.05582	6.8
154.99875	0.5
160.01666	2.8
161.02441	0.2
162.03288	0.4
166.02679	0.5
166.99879	0.9
173.00922	21.8
175.04007	3.3
178.02744	1.7
179.03491	0.3
182.02222	3.5
189.34538	0.2
191.01993	9.9
191.03360	0.4
193.05070	21.2
194.75014	0.2
196.03806	0.7
197.04559	20.4
207.03020	0.3
209.02969	1.4
211.06149	0.3
217.01517	0.3
218.05754	0.3
219.06482	0.4
222.05388	1.1
233.08124	0.4
237.07643	1.2
261.07709	3.5
265.07178	4.8
273.27728	0.2
305.06723	0.3
309.06180	1.0
323.07745	3.8
327.07211	12.3
353.05142	0.9
367.06699	19.6
371.06201	18.8
385.07761	6.4
387.15341	0.2
389.07269	8.9
565.11993	9.6
579.12311	0.2
589.13898	0.2
800.31219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	10.2
84.17440	0.4
84.40296	0.4
85.82111	0.4
96.96974	0.7
98.21949	0.8
101.70415	0.4
114.90657	0.4
152.99608	8.0
171.00632	0.5
227.03374	0.6
245.04315	1.4
277.21744	35.5
278.21835	0.6
437.12598	0.6
438.13449	1.4
451.14447	1.3
452.14932	4.7
465.15860	0.6
466.16400	1.0
479.17987	0.8
480.13998	2.6
481.15109	10.9
482.15570	0.6
484.13666	0.6
492.14349	0.5
493.15503	2.4
494.16013	2.0
495.16815	18.9
496.16995	0.9
498.15274	0.7
503.24551	0.8
505.25787	19.1
507.16205	2.2
508.18262	3.8
509.18326	1.2
512.13129	1.1
518.15649	0.5
521.14862	1.1
522.15210	0.6
523.19568	1.3
533.18353	0.9
535.16241	2.8
536.17108	4.3
539.15967	0.9
540.16656	4.2
551.19427	55.3
552.19739	1.7
553.18622	2.3
554.18604	3.2
555.18915	1.3
567.19135	0.7
568.16016	0.5
572.15491	3.6
583.21967	1.1
586.17377	3.7
595.18555	1.7
627.21033	100.0
628.21423	4.2
629.20746	2.9
963.36017	0.4
1133.47424	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	1135.6568
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05038	0.5
82.01774	0.3
82.06644	0.8
89.18118	0.3
93.03471	0.6
98.01223	0.5
99.02036	0.4
112.07696	0.7
113.07221	6.1
114.05585	0.8
115.08786	2.3
116.05073	1.2
118.06632	0.8
119.05042	12.4
122.09749	0.4
124.02791	0.7
129.10365	5.1
134.06094	0.6
139.05161	1.5
139.08766	2.4
140.07184	1.3
141.06703	2.6
141.10329	1.2
145.02972	0.4
146.06139	0.4
151.05113	0.5
151.08836	0.5
152.05937	1.2
152.07161	0.6
153.06700	0.8
155.08273	5.5
157.05334	1.1
165.06726	1.1
165.10297	0.4
166.12364	0.5
167.04637	2.1
167.08276	0.5
169.09827	1.5
177.10387	0.5
178.11127	0.4
179.04604	1.2
181.09843	1.1
181.13481	0.9
183.15149	0.5
193.09857	1.0
193.13472	3.2
195.11420	1.6
197.08809	0.4
200.10904	0.4
201.04466	0.4
208.14514	0.6
209.12952	5.7
210.12537	2.1
210.16093	0.6
212.14032	3.9
214.12425	0.4
224.17470	0.4
226.15628	7.3
228.17139	2.0
230.11885	0.4
231.15236	0.6
242.11862	1.0
243.11375	2.2
248.14151	0.4
254.15009	0.6
258.11343	0.7
266.14963	0.4
280.20343	0.7
306.18338	0.6
307.21390	2.7
309.19431	1.1
323.20978	1.3
325.22549	2.4
337.22556	0.5
404.27191	0.4
453.24994	0.4
461.27182	0.4
515.98999	0.4
547.36066	0.6
585.44366	0.4
733.52136	0.5
876.54108	0.8
892.52869	0.8
1029.60950	1.1
1095.13892	0.5
1135.65747	100.0
1136.65210	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	1145.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
82.16080	0.3
83.01389	3.9
84.02168	1.8
84.02587	0.3
85.02956	100.0
86.03312	0.3
87.00884	0.8
87.42043	0.3
89.00354	0.6
91.01917	0.3
93.03467	0.5
98.21902	0.8
101.02439	0.8
103.00378	0.9
106.00625	0.4
107.01403	0.4
108.02163	0.4
109.02949	0.3
111.00893	10.0
115.00372	0.6
117.03499	0.7
119.05042	8.0
121.02963	5.3
123.00911	1.5
123.04531	0.4
127.00439	0.3
129.01955	42.9
133.01437	0.5
134.03773	0.5
137.02483	0.5
138.03201	1.5
139.00412	0.7
139.04036	0.4
145.01408	0.6
145.02969	2.5
147.03012	12.6
151.00385	2.3
153.05602	4.4
154.99849	0.7
161.02448	0.3
163.00377	0.5
163.04024	10.2
166.02660	0.3
166.99911	0.6
167.03540	0.8
173.00923	13.7
178.99872	1.3
182.02229	1.9
191.01985	32.1
193.05075	0.6
196.03838	0.3
197.04568	10.6
209.03030	7.9
213.78246	0.3
222.05331	0.4
223.05998	0.3
226.02728	0.6
227.03560	0.6
231.06682	0.7
237.07672	0.4
243.02892	2.0
254.02338	0.7
255.03011	5.3
265.07123	3.0
271.02493	11.0
272.03125	0.4
293.06693	1.5
295.78769	0.3
300.02774	19.1
301.03549	7.2
309.06183	0.5
327.03476	0.5
327.07263	6.3
337.05673	8.4
337.09573	0.6
337.44391	0.3
341.05106	2.3
353.04718	0.3
355.06732	4.7
371.06192	11.9
389.07285	50.4
390.07758	0.5
409.78439	0.3
419.13541	0.5
535.10950	10.1
570.34747	0.4
586.07037	0.3
609.14624	31.1
610.15051	0.5
740.56738	0.3
815.51440	0.3
977.96619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02435	0.3
85.03976	0.4
95.02377	0.4
96.00749	7.5
96.01431	1.1
97.00293	0.3
98.01115	0.3
98.02366	0.5
98.22742	0.4
99.01831	1.2
109.03936	0.5
111.01874	0.5
112.02645	0.4
112.07533	0.3
113.03391	1.0
113.07026	6.3
113.07899	0.8
114.05437	0.5
116.04884	1.8
122.04651	1.1
126.09145	0.3
129.10132	4.1
130.08604	0.4
136.06210	0.4
136.11177	0.5
139.04979	0.6
139.08566	1.5
140.06972	1.1
141.10213	0.3
142.06419	0.7
149.07040	0.4
151.08540	8.2
151.09856	0.7
152.05699	0.4
153.06526	0.5
153.10161	0.4
155.03145	2.2
155.08031	3.3
155.11758	0.3
157.07391	0.2
165.06538	0.7
165.10321	2.6
167.04251	0.2
167.08228	2.2
168.11420	2.7
168.12796	0.4
169.09567	1.0
180.11275	0.4
181.13217	0.9
182.12732	1.5
184.10905	3.2
185.06950	0.8
186.12491	10.6
186.13974	0.6
193.09651	0.5
194.09200	0.3
195.14725	0.8
196.10680	0.5
197.16269	0.9
198.72462	0.3
200.13786	0.8
202.09682	0.6
207.08833	0.3
207.14787	0.4
208.13153	0.3
209.12962	5.2
210.12152	0.9
212.10417	4.9
222.10925	0.6
225.16063	1.6
226.11732	0.8
226.15555	1.6
230.08011	0.3
238.15321	0.7
240.16914	0.3
242.18394	0.8
262.18933	0.7
265.16702	7.6
277.16611	0.6
279.18286	9.2
280.14395	0.6
283.17780	14.0
294.25055	0.3
297.19339	3.3
303.01450	0.3
306.18100	0.5
310.24637	0.5
315.17899	0.8
341.15848	0.3
362.21909	0.6
380.23053	5.0
393.28500	0.5
412.23529	2.0
506.36661	0.8
509.28983	1.3
549.37280	0.6
575.35162	0.4
577.40131	0.4
606.39545	1.5
620.41327	0.7
674.45667	1.3
699.45117	0.3
717.46356	2.0
719.48560	1.2
745.46484	0.3
769.53741	0.5
790.51392	0.4
830.55536	0.5
842.55505	0.4
848.54346	1.6
887.56946	2.3
902.52850	0.3
919.57599	0.5
945.56482	0.7
984.60461	0.3
1016.63080	37.0
1017.63770	0.9
1095.63721	16.9
1096.62891	0.7
1113.64722	100.0
1114.64160	2.5
1149.62280	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	1149.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02538	0.5
88.98820	0.3
93.55840	0.3
95.02519	0.5
96.00922	9.6
97.00401	0.4
98.01252	0.3
98.02481	0.5
99.02036	1.2
100.23485	0.3
109.04077	0.4
111.01999	0.7
113.03602	1.2
113.07223	7.8
113.07957	0.6
114.05639	0.7
116.05072	2.0
122.04864	1.6
124.04056	0.5
129.10355	5.3
130.06630	0.4
130.08775	0.4
136.06435	0.3
136.11331	0.4
137.04820	0.3
139.05148	0.7
139.08772	1.5
139.15631	0.3
140.07190	0.9
142.06546	0.3
151.07622	0.6
151.08784	9.3
155.03415	2.6
155.08267	4.1
165.06677	1.0
165.10326	3.1
167.04680	0.7
167.08276	2.7
168.11444	2.3
169.09843	1.3
174.18893	0.3
181.09872	0.4
181.13493	1.0
182.13008	1.7
184.10924	3.8
185.07208	0.9
186.12489	12.7
190.06349	0.4
193.13551	0.3
195.11374	0.4
195.15015	0.6
196.10945	0.5
197.16582	0.7
200.14020	0.8
202.09943	0.6
208.13327	0.6
209.12971	4.7
210.12477	0.9
212.10429	6.1
222.11194	0.7
224.17569	0.3
225.16008	1.9
226.11966	0.5
226.15558	1.6
238.15604	0.8
240.17239	0.5
242.18759	0.9
262.19269	1.0
265.16718	7.1
265.19543	0.4
279.18289	9.2
280.14511	0.4
283.17792	14.0
297.19354	3.7
306.18262	0.6
315.18369	0.9
322.21323	0.3
323.21091	0.6
349.25928	0.4
361.81802	0.4
362.21979	1.0
380.23065	5.5
389.74393	0.3
393.28543	0.7
412.23428	1.7
506.37262	1.3
509.29041	0.9
549.37915	0.7
560.39410	0.3
562.53168	0.4
595.26282	0.3
606.39893	2.3
614.64563	0.3
620.40625	0.3
674.45502	2.1
699.46112	0.4
717.46741	2.3
719.48267	1.1
735.46082	0.5
769.53870	0.5
830.55115	0.7
842.55194	0.6
848.54333	1.2
887.57568	2.3
919.58197	0.4
945.55908	0.7
984.59253	0.6
1016.63141	37.2
1017.63586	1.2
1095.63635	17.5
1096.63879	0.6
1113.64746	100.0
1114.64551	3.9
1149.62476	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.17445	0.6
59.01358	1.0
60.86313	0.6
71.01388	100.0
71.05004	3.8
71.37359	0.7
72.01726	2.3
73.04084	3.2
89.01501	1.6
96.07807	0.6
97.02960	0.8
97.93146	1.0
114.93403	3.0
115.00397	4.2
115.04004	1.8
115.07659	1.6
115.92074	0.8
116.02570	4.9
116.03324	0.9
116.07195	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
50.76567	0.6
55.96064	0.7
56.05040	0.6
69.61304	2.4
71.01388	100.0
71.05036	0.9
72.01733	3.3
72.72887	0.6
72.99315	3.1
73.04098	1.1
74.97103	0.7
75.74232	0.7
76.71840	0.7
96.99301	1.2
98.22614	0.8
109.04079	0.7
115.00391	3.0
116.02565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.6261
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03007	1.0
85.02997	0.8
85.04063	1.1
95.02510	2.7
96.00918	12.5
98.02477	2.5
99.02095	0.9
109.04076	1.2
111.01991	1.4
113.02457	0.9
113.03597	6.0
113.07223	17.5
114.05606	2.0
119.05008	1.7
120.62747	0.8
122.09673	0.7
123.05601	0.9
124.02756	1.1
125.03552	1.5
125.90640	0.7
132.02220	1.6
133.02977	6.2
134.03746	2.5
135.04535	3.3
139.05144	7.2
139.08716	0.9
141.06714	1.7
145.02954	1.2
146.06117	1.8
152.10825	1.1
153.06673	2.6
154.09915	0.9
157.05214	1.0
160.01685	2.6
161.02477	11.2
162.02803	1.4
163.08757	1.1
163.89313	0.8
165.06706	1.5
166.09863	0.9
167.04645	1.3
167.08301	1.4
167.11862	1.7
170.09351	2.4
179.03482	3.4
181.13480	1.0
182.09355	1.3
184.10905	1.9
192.11479	5.3
193.05058	1.1
193.09813	2.5
195.11383	15.1
195.13155	1.0
199.08823	1.7
199.11903	0.8
200.07202	2.2
207.11337	0.8
209.12996	4.3
210.12512	12.6
212.13994	2.2
212.89648	0.8
215.55450	0.7
226.15651	1.6
229.13455	1.2
243.07706	1.4
246.12442	1.5
257.12845	1.0
260.10355	3.4
274.15646	3.5
279.32645	0.8
291.18253	1.1
292.16718	16.6
306.18286	1.3
321.11575	1.0
331.17966	1.6
348.20355	1.1
363.24023	2.2
388.23651	7.2
406.24506	3.4
534.23907	1.2
616.38330	1.1
619.35504	0.8
877.50165	1.1
933.51306	1.0
948.56964	1.3
1037.58643	1.9
1045.58557	5.1
1054.60779	9.7
1069.87415	0.9
1070.35266	2.7
1070.86560	1.1
1084.36877	0.9
1085.85266	1.2
1133.61755	11.1
1134.60278	6.9
1151.39160	4.7
1151.62549	100.0
1152.63098	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	116.0508
Annotation	3H-Indole
Peak:m/z	Relative Intensity
59.01378	2.7
64.78753	0.5
65.01431	0.6
69.12288	0.5
71.01401	0.8
71.05024	1.6
72.01714	0.8
72.04545	0.6
72.37347	0.6
73.02951	38.3
74.02477	1.2
89.01459	3.9
91.13253	0.6
98.02492	0.9
98.21901	1.5
99.00916	3.0
99.92593	41.7
115.92121	2.4
116.02576	9.4
116.03363	1.1
116.03711	0.9
116.05075	87.7
116.07207	7.9
116.92871	100.0
117.01227	0.6
117.01952	3.9
117.04624	0.7
117.05413	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	116.0719
Annotation	Betaine
Peak:m/z	Relative Intensity
59.01374	1.3
64.94003	0.7
71.01376	1.7
71.05034	1.7
71.10703	1.0
72.01730	1.4
73.02952	100.0
74.02506	0.9
86.92491	0.7
87.66336	0.8
99.00889	8.3
99.92592	21.2
115.92092	4.5
116.02551	2.7
116.07187	95.0
116.92873	43.5
116.93728	1.3
117.01947	11.9
117.07527	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	1169.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	0.5
83.01385	0.5
85.02962	3.1
87.00884	5.7
87.04501	0.4
89.02454	14.4
89.33132	0.3
92.54040	0.3
95.01388	1.7
96.95995	0.6
97.02959	1.0
99.00903	0.4
99.04567	0.3
101.02453	15.2
102.21947	0.2
109.02951	0.5
111.04594	0.3
113.02459	8.7
113.67162	0.3
119.03510	3.9
125.02436	2.1
131.03497	1.2
134.51216	0.2
141.01955	0.5
143.03506	4.6
149.04546	0.8
161.04550	3.5
179.05634	11.1
181.23642	0.3
185.04504	0.3
190.75114	0.3
203.05653	2.0
221.06689	6.5
235.08179	0.6
260.75580	0.3
265.87305	0.3
281.08871	0.5
323.09891	0.8
341.10904	7.6
341.15112	0.4
383.11987	28.5
413.12906	0.6
425.12927	0.5
443.14160	5.2
485.15137	4.6
503.16272	3.9
665.21533	100.0
666.22131	1.0
765.07184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01880	0.6
59.01405	0.5
63.40286	0.3
65.39823	0.4
70.97263	0.3
71.01395	0.4
72.00921	1.4
73.02954	100.0
74.02473	2.9
74.03291	2.8
83.67507	0.3
99.00889	7.7
99.92596	1.3
106.54268	0.3
116.92088	0.5
116.92869	3.5
117.01953	11.8
117.07526	1.9
118.02271	0.6
118.03024	0.8
118.05157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1170.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02985	1.2
83.02489	0.3
84.00906	0.5
84.04559	0.4
85.04068	0.4
87.35970	0.3
93.03461	1.4
94.02983	0.3
96.04564	0.4
97.04060	0.4
98.21827	0.7
99.02013	1.9
99.05690	0.3
107.05039	0.2
109.04082	1.0
110.06142	0.7
110.67847	0.2
111.02014	0.3
111.05674	0.9
112.04128	0.2
113.03587	0.3
113.07223	22.8
114.05632	1.0
115.08801	1.9
117.03474	1.0
117.65425	0.3
119.05035	5.2
121.04094	0.7
122.02515	1.3
122.09794	1.1
123.05683	0.5
124.04101	0.2
125.03584	1.2
125.07230	1.6
126.05646	1.1
127.05157	3.0
127.08772	0.6
130.52911	0.3
131.03769	2.4
132.04572	1.7
132.05602	0.2
133.02974	0.9
134.06145	0.6
135.04544	0.9
135.05608	0.5
135.09328	0.4
136.04077	0.8
137.03612	0.4
137.07259	1.2
138.06775	0.3
139.05171	1.8
139.08830	0.5
141.06735	2.3
144.04607	0.3
145.02975	1.1
146.02536	0.3
150.05605	0.5
151.05164	1.0
151.06332	0.3
152.08330	1.6
152.10815	0.5
153.06715	10.9
153.10382	0.5
154.09917	0.7
155.08282	0.5
161.02438	1.7
162.05647	1.5
163.08788	0.4
165.10344	3.9
166.06294	0.3
166.08673	1.6
166.09900	0.7
167.04694	0.4
167.08286	0.4
167.11900	2.1
168.04158	0.6
168.07849	0.3
169.04404	3.2
170.02858	0.7
170.06073	0.3
170.09351	4.5
170.41888	0.3
171.07747	0.5
173.03964	1.3
177.10327	1.7
178.06244	0.7
178.09964	0.3
179.03499	0.5
179.08316	0.8
181.09818	0.7
182.13020	0.4
183.06516	0.8
184.07605	1.3
187.05473	1.1
192.07788	0.5
192.11438	0.6
194.13097	0.7
195.11398	13.0
196.10925	2.3
206.09389	1.1
208.10985	4.5
208.14632	0.3
209.09195	3.0
210.08842	0.8
210.12534	0.3
212.14049	5.2
213.12386	0.4
215.11926	2.1
218.09404	0.3
219.63509	0.3
220.75482	0.2
222.12505	0.5
224.10440	2.0
224.14139	0.6
225.13605	0.5
226.11981	0.8
227.08583	2.6
227.10747	0.3
227.11511	0.3
228.06628	0.3
229.23727	0.3
230.06238	0.3
232.08032	1.1
235.12064	0.6
236.10570	0.3
240.11809	0.8
241.09709	0.4
241.13054	0.6
244.11244	6.6
248.12764	0.5
248.17833	0.3
249.13570	6.2
250.11938	3.6
250.19286	1.1
251.15170	3.8
253.13045	2.0
255.11395	0.5
259.10883	2.5
263.15228	0.4
267.14621	3.4
269.16208	0.8
272.14108	0.5
276.07108	1.2
279.18228	0.5
281.16211	0.6
283.12396	2.9
284.10892	1.0
291.18277	3.1
298.15710	0.3
301.13425	6.3
306.15625	1.2
309.19318	5.2
319.17422	0.3
322.18872	2.3
323.17441	0.3
323.26291	0.3
324.16782	1.2
331.21594	0.4
340.19916	2.4
346.19052	0.4
355.18063	0.8
373.18811	0.8
375.20370	0.4
378.18219	0.4
378.25089	0.4
380.17630	1.2
381.16125	0.4
389.16486	0.6
394.19202	1.0
394.24332	0.4
397.22699	0.4
398.18753	0.8
404.27032	0.6
407.17603	2.4
412.20087	0.5
422.24045	0.8
438.18152	0.3
440.23541	0.6
457.29538	0.4
475.30682	1.7
480.22998	0.5
494.27359	0.5
497.25806	0.5
500.23468	0.3
506.24664	0.4
519.29547	0.8
534.24933	0.8
536.32080	0.5
603.29932	0.4
633.37286	1.3
650.26843	0.5
764.34729	0.7
779.40930	0.7
787.44794	0.8
807.26202	1.0
808.26953	0.4
846.38092	0.6
854.43402	1.4
893.48920	10.4
958.48370	1.1
960.46655	8.9
960.66663	0.5
991.46722	0.6
1064.52600	20.4
1126.56470	1.2
1170.56787	100.0
1171.57068	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	1172.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
87.27732	2.9
102.94855	3.1
119.05028	10.3
128.06824	3.1
165.10289	5.1
226.15636	7.7
880.51471	6.9
1109.63916	100.0
1111.26306	3.7
1136.66101	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	1175.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	4.8
84.02151	1.2
85.02956	100.0
87.00875	1.0
89.00337	1.1
89.03973	0.7
101.02445	0.6
103.00410	0.5
106.00657	0.6
111.00889	12.6
114.83632	0.4
117.03478	1.4
121.02972	10.1
123.00885	2.1
129.01956	57.1
132.02196	0.4
134.03757	19.3
135.04616	0.5
136.98869	0.5
137.02444	0.7
138.03250	2.1
139.00369	0.9
139.04007	1.1
141.64391	0.3
145.01402	0.6
147.03011	9.9
149.06079	2.3
153.05573	7.0
153.06737	0.6
159.29744	0.4
160.01698	2.6
161.02496	0.7
166.02731	0.4
166.99875	1.3
173.00926	24.4
175.04070	3.4
178.02679	1.9
179.03491	0.8
182.02228	3.1
182.48123	0.4
191.01990	11.1
191.88983	0.4
193.05070	20.0
196.03799	0.5
197.04564	21.6
207.03070	0.4
209.03021	2.4
211.06075	0.9
222.05385	1.1
233.08356	0.5
237.07681	1.1
243.03117	1.2
255.02963	2.9
261.07672	3.3
265.07208	5.4
271.02481	6.4
300.02762	10.8
301.03366	0.6
309.06107	0.6
323.07755	5.0
327.07236	15.3
349.05771	0.5
353.05151	0.9
367.06732	24.4
371.06201	22.4
372.06491	0.5
385.07840	6.8
389.07285	10.2
443.45450	0.4
539.71979	0.4
554.77362	0.4
565.11987	15.6
609.14636	12.3
624.44757	0.5
1043.08337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	5.8
84.02164	1.3
85.02957	100.0
85.19804	0.4
89.00359	1.2
91.01910	0.7
101.02488	0.7
103.00359	0.9
106.00598	1.4
107.01434	0.8
111.00173	1.0
111.00893	16.2
117.03510	0.6
118.13970	0.5
121.02974	16.5
123.00906	1.2
123.71095	0.6
129.01956	53.4
132.02170	1.6
134.03766	8.2
135.00812	0.6
137.02435	0.9
138.03249	2.5
139.00391	0.6
139.03957	0.5
141.99722	0.6
147.03018	11.5
149.06044	1.0
151.00368	4.0
153.05586	10.1
160.01651	5.9
163.00328	0.6
166.99879	0.9
173.00928	35.0
175.04019	5.0
178.02686	0.7
178.99887	2.1
182.02242	1.7
183.04564	0.7
191.01997	10.9
193.05040	7.4
197.04555	32.7
209.03044	1.4
227.03473	0.8
243.02992	5.1
254.02264	0.8
255.02991	11.2
261.07657	2.2
265.07117	1.9
271.02509	26.6
272.03125	0.9
300.02789	36.8
301.03561	12.9
323.07706	11.3
327.07239	5.0
349.05542	0.8
367.06714	6.8
371.06210	59.0
385.07834	2.6
389.07254	12.8
543.18640	0.6
565.11890	8.5
604.86578	0.6
609.14648	81.1
610.14978	1.4
850.59790	0.6
1044.96191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0512
Annotation	AMINOHYDROXYBUTYRIC ACID
Peak:m/z	Relative Intensity
55.01889	0.7
59.01384	4.8
61.62789	0.6
69.35239	3.1
71.01383	2.8
71.60437	0.8
72.00916	32.4
72.99310	1.8
73.01291	0.8
74.02479	100.0
75.00868	2.2
75.02802	1.8
86.02475	3.3
87.38943	0.6
88.04038	0.8
92.01777	0.6
101.02436	1.0
112.51664	0.7
118.05106	13.6
119.03522	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	118.981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75536	10.1
59.01370	23.2
60.21040	9.2
61.98796	10.5
64.64919	10.4
74.99097	100.0
98.21893	23.7
101.92415	21.7
101.93015	13.3
118.92674	66.1
118.93402	13.5
118.96541	22.8
118.98108	35.7
119.02503	79.0
119.03367	20.8
119.05061	51.9
123.98467	9.5
127.84682	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	1184.6356
Annotation	Unknow
Peak:m/z	Relative Intensity
115.96384	17.2
116.06712	17.2
126.95834	16.7
150.58800	15.9
197.66449	15.1
209.13123	26.0
739.50171	18.4
779.55536	22.1
963.47748	21.4
1121.65405	87.7
1123.63745	28.0
1124.65039	100.0
1146.61646	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	119.035
Annotation	D-Erythrulose
Peak:m/z	Relative Intensity
50.48508	5.0
59.01383	100.0
61.98809	5.2
64.78899	4.9
69.07825	34.2
69.74547	4.4
69.90634	4.7
70.02962	6.0
71.01366	25.8
72.97253	4.7
72.99305	4.6
75.00894	5.0
82.20911	4.4
98.21848	7.8
101.92409	19.9
114.28738	5.1
118.92638	48.7
118.93388	10.9
118.96542	10.6
119.02508	32.7
119.03409	8.5
119.05047	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85948	0.4
56.37376	0.4
59.01380	1.1
60.62994	0.4
61.61089	0.4
62.39293	0.4
62.88947	0.4
65.01444	0.6
69.45551	1.0
69.45931	0.7
73.02970	0.4
76.34106	0.4
91.05534	1.3
93.03473	4.4
100.17895	0.4
101.92423	1.3
104.02699	0.5
117.03465	0.8
118.92654	2.9
118.96544	1.1
119.02666	3.4
119.05039	100.0
120.04575	0.9
120.05373	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	120.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03494	12.5
69.18314	10.6
85.72304	1.8
92.02667	3.0
93.03465	11.1
94.02988	60.0
108.02143	2.8
120.99670	29.2
121.00504	3.3
121.02966	100.0
122.00024	2.5
122.02509	44.3
122.03324	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
52.24435	0.3
65.03981	1.7
66.03478	0.8
67.01877	0.5
69.58841	1.4
91.01884	0.7
92.02682	3.1
93.03466	12.9
94.02989	2.3
94.03780	0.6
98.22634	0.3
108.02188	2.2
112.40628	0.4
120.02172	1.9
121.02963	100.0
122.02472	1.5
122.03310	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	123.0091
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
54.77722	0.6
64.35781	0.6
66.03493	9.2
67.01901	5.0
67.03020	1.7
68.99815	1.0
69.03445	0.6
71.40648	0.7
71.40974	0.7
73.39333	0.6
77.99429	0.6
78.03507	1.1
79.13553	0.5
79.95736	0.8
80.05116	0.6
80.69360	0.6
81.03487	0.8
82.02961	0.7
93.03450	0.6
94.02995	18.4
95.01397	100.0
95.03368	1.7
96.01736	3.9
96.04536	4.1
108.02184	2.1
109.01707	0.7
122.02537	0.7
122.03728	1.1
123.00901	22.7
123.02782	1.0
123.04543	3.5
123.05623	0.9
124.01736	1.5
124.04053	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	123.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00348	0.4
55.23795	0.2
66.02238	0.8
66.03493	3.0
67.03017	100.0
68.02728	0.5
68.03342	2.7
68.99820	0.6
69.67174	0.7
73.02332	0.2
78.03516	0.4
79.95733	0.3
81.04585	0.6
82.01740	1.3
83.15073	0.3
94.01751	1.2
94.02991	6.8
95.01396	7.3
95.02532	0.9
95.03305	0.4
96.01728	0.3
96.04588	1.1
108.02171	0.3
109.01697	0.3
122.03760	0.3
123.00924	4.4
123.02029	9.1
123.02791	0.5
123.04539	0.8
123.05639	0.7
124.01667	0.3
124.02460	0.4
124.04066	4.5
124.05019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0974
Annotation	1,5Z-Octadien-3R-ol
Peak:m/z	Relative Intensity
57.03460	41.2
69.03452	28.0
71.05032	9.2
75.36458	6.7
80.02692	9.9
83.05069	7.4
86.77660	7.0
95.05018	17.3
97.02970	17.4
97.06598	100.0
98.21790	16.7
109.69454	6.7
123.08198	89.1
125.00158	8.2
125.02480	35.0
125.09737	88.5
126.01968	11.5
139.57591	6.6
142.12567	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	126.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45159	5.0
55.01889	27.4
71.01388	8.8
71.05029	69.3
81.03468	4.6
82.03004	9.2
83.01399	33.0
83.05040	18.0
85.02963	5.6
88.63972	4.1
89.91649	4.0
96.04559	31.8
97.68169	5.1
98.02456	5.8
98.06126	38.2
98.21898	10.9
99.00865	7.3
103.85987	4.5
107.42077	6.0
110.90915	6.0
125.01859	6.1
126.02001	14.8
126.05637	15.1
126.90446	100.0
127.00407	31.4
127.04046	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	127.0767
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
52.60936	5.6
55.01884	9.8
59.01390	25.3
66.75188	4.9
71.01372	8.6
73.46365	4.8
77.88268	5.0
83.01379	5.9
96.35274	4.5
109.06607	14.8
126.90489	47.7
127.00407	11.8
127.07656	100.0
128.03540	62.0
128.07150	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	128.0355
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
57.03440	1.5
69.37572	6.6
69.37883	1.5
76.79993	1.2
82.03004	3.3
85.02968	9.8
96.63302	1.1
98.17778	1.4
101.72639	1.1
108.75146	1.2
117.28497	1.1
117.45972	1.1
120.89457	1.3
128.03552	100.0
128.07185	30.9
128.08142	1.4
129.03909	5.1
129.07556	2.4
143.63577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0719
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.01878	0.6
57.03447	2.0
58.02969	0.4
59.01388	0.3
64.26266	0.2
67.01898	5.1
67.03019	0.6
68.99820	1.6
71.01381	0.8
71.37317	0.2
72.99333	0.4
73.02957	0.6
73.78573	0.2
80.05060	0.4
82.06628	0.5
83.01416	0.6
85.02952	0.6
85.04082	2.3
87.00890	0.3
99.00854	0.2
111.00861	0.3
128.03558	3.9
128.07190	100.0
128.90179	0.4
129.01990	1.4
129.04202	2.9
129.06674	0.3
129.07538	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	129.0196
Annotation	4,5-Dioxopentanoate
Peak:m/z	Relative Intensity
55.01882	9.6
57.03448	5.7
59.01381	35.8
67.01912	8.7
68.99819	34.6
71.01395	31.2
72.99306	18.8
73.02954	100.0
76.85041	3.3
83.01389	28.1
85.02959	12.0
85.16072	3.3
86.38248	3.4
87.00884	81.6
88.04072	4.5
95.37550	3.2
99.00883	7.4
100.06181	4.9
100.07008	3.8
101.02447	21.9
111.00900	55.1
112.90683	7.1
128.90192	29.7
129.01964	35.1
129.04048	5.5
130.08746	10.3
135.76320	3.7
136.33986	3.4
141.15289	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01877	4.2
56.20549	1.4
57.03446	20.3
65.51609	1.5
66.67314	1.4
67.01896	47.6
68.99821	3.8
69.21223	2.9
69.21631	5.2
71.01387	5.1
72.99330	3.0
73.02948	3.2
85.02959	18.0
87.00885	2.1
88.04047	100.0
99.00884	3.0
101.02422	3.0
129.01105	1.8
129.01939	9.7
129.03908	5.0
129.05661	1.8
129.07533	13.9
130.05119	3.0
130.07841	1.6
130.08752	8.3
142.68173	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	129.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03437	1.9
58.82725	0.6
59.01406	0.8
62.47484	0.6
67.01897	4.5
68.99813	2.3
69.51656	2.9
71.01382	1.5
71.07553	0.6
72.99330	0.9
73.02951	0.8
82.04103	1.1
83.02534	1.0
83.04902	6.1
85.03005	3.5
85.04081	73.3
86.04411	1.9
86.06135	0.6
87.00881	0.7
88.04054	2.5
91.81863	0.7
111.00958	0.7
112.03956	1.2
121.22984	0.6
128.90225	3.6
129.02071	2.3
129.04202	100.0
130.04544	2.6
130.08748	58.9
138.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
57.03448	44.2
59.01366	14.1
66.47637	12.5
69.20109	84.2
71.50143	14.4
73.02921	21.4
83.05027	16.6
85.02954	35.7
85.04073	83.6
85.06575	24.6
86.06148	25.4
88.04088	34.7
99.83275	12.6
111.00912	17.7
111.04540	20.4
112.04055	20.0
118.04641	12.7
128.90184	39.0
129.01959	25.1
129.04182	100.0
129.05595	83.8
130.08762	51.4
138.17268	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	129.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70054	13.2
55.57010	13.9
56.09260	15.2
57.03451	26.3
70.60283	30.5
84.98225	15.6
85.02979	26.3
85.04082	51.9
88.04070	30.6
105.63011	16.0
110.73711	13.6
128.90157	45.0
129.01939	20.0
129.04192	74.8
129.05568	45.5
130.07915	16.6
130.08739	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.31274	0.9
70.53577	1.2
71.03223	0.8
88.04041	1.2
110.56763	0.9
130.08749	100.0
131.09093	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	131.0352
Annotation	DIMETHYLMALONIC ACID
Peak:m/z	Relative Intensity
57.03450	6.7
59.01380	2.8
68.99822	1.4
69.03458	3.7
71.01383	5.9
71.38883	1.4
73.02973	5.5
85.02956	18.8
85.06604	2.7
87.04523	100.0
88.04057	13.4
88.04873	3.1
101.02454	1.6
103.05555	1.2
113.02487	7.4
115.00382	3.8
124.24162	1.1
131.03526	14.0
131.05014	2.9
131.07236	1.8
131.08241	1.7
131.09126	1.9
132.03033	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03435	1.0
59.76312	0.5
69.03458	2.1
69.24150	1.1
69.24541	2.0
72.99306	0.7
73.02962	1.4
83.05030	1.8
85.02979	1.4
85.06598	100.0
86.06929	5.1
87.04539	1.8
98.56788	0.6
113.06100	1.2
129.05605	1.3
131.07153	36.3
132.07507	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
52.31207	0.6
59.01385	1.7
59.90201	0.7
68.29586	0.8
69.04276	3.0
69.04692	2.1
71.01387	80.0
72.01730	1.9
72.98907	1.1
72.99318	22.8
76.83317	0.6
77.03974	2.8
87.00887	0.9
89.02451	8.2
92.02557	1.2
95.05017	3.7
105.03488	7.7
106.04236	0.8
107.03636	3.0
115.00386	100.0
116.00704	4.7
123.04529	0.8
132.02225	1.4
133.01453	18.0
133.02977	8.7
133.04060	1.0
134.03738	8.7
134.04752	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	133.0146
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
51.02377	0.6
52.53399	0.5
54.14765	0.4
59.01381	2.0
65.00331	2.1
69.59708	1.0
71.01388	80.4
72.01726	2.0
72.99317	20.7
73.99660	0.6
77.03974	14.8
78.04324	1.0
87.00880	1.6
89.02454	8.3
89.03978	4.0
95.04432	1.0
95.05039	18.1
96.05408	0.9
104.02673	1.2
105.03473	40.2
106.03815	3.0
115.00385	100.0
116.00732	4.4
123.04547	2.1
132.02193	8.5
133.01454	20.1
133.02977	40.1
134.01778	1.1
134.03262	3.4
134.04758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01374	2.3
70.19952	0.7
70.57228	1.3
70.57579	1.0
71.01387	85.6
72.01736	1.8
72.99316	20.3
86.19327	0.7
87.00906	1.1
88.13734	0.8
89.02457	8.6
113.00816	0.8
115.00382	100.0
116.00719	4.7
121.48490	0.7
128.30185	0.7
133.01454	18.5
134.56754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47866	1.1
59.01358	1.5
60.99463	0.9
64.48155	1.0
69.07961	3.8
69.08377	2.5
70.03800	0.9
71.01386	84.2
72.01720	2.9
72.99314	20.6
89.02454	8.2
98.22588	2.5
115.00382	100.0
116.00741	4.0
127.01417	1.1
133.01433	19.9
134.01788	1.2
134.04793	1.7
144.29642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
59.01382	2.2
61.50196	0.7
69.72932	2.7
71.01387	92.2
72.01720	1.8
72.99313	22.2
87.00876	1.7
89.02445	8.3
98.22668	1.4
109.28473	0.9
110.04605	0.9
115.00382	100.0
116.00714	4.9
133.01437	19.0
134.01819	1.1
134.04756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	1.5
69.88315	5.0
71.01390	44.3
71.20593	1.4
72.99320	13.4
77.03984	3.6
87.00888	1.6
87.04510	2.3
89.02458	4.9
95.05048	3.6
96.06902	1.3
98.21941	2.6
104.02666	2.8
105.03473	5.9
107.03640	7.3
115.00386	43.5
115.01862	2.3
116.00664	1.8
132.02205	24.0
132.86789	7.1
132.90062	3.1
133.01532	9.3
133.02979	100.0
133.06512	1.6
134.02483	5.8
134.03598	6.0
134.04762	25.2
138.61449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48426	1.8
53.81741	1.9
65.00327	5.4
69.63747	5.9
69.64095	3.4
71.01398	16.6
72.99324	4.9
77.03968	24.8
89.03969	7.2
92.35831	1.8
95.05038	32.0
105.03468	70.0
106.03807	4.8
107.03632	3.8
115.00394	19.1
123.04559	5.1
128.33780	1.8
132.02194	23.8
132.86858	2.9
132.90065	5.7
133.01485	3.5
133.02975	100.0
133.06596	4.9
134.02452	3.4
134.03416	7.2
134.04716	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	133.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58117	0.5
55.01873	0.5
59.66566	0.5
65.01450	0.5
71.01388	8.2
71.12257	0.5
72.99310	1.7
77.03977	2.2
89.02456	1.1
89.03989	1.1
92.02540	0.7
95.05036	1.0
104.02702	2.5
105.03474	4.6
107.03638	2.8
115.00362	7.3
115.01931	3.9
119.85230	0.5
132.01385	0.6
132.02182	23.7
132.86804	6.6
132.90021	3.6
133.02971	100.0
133.06609	5.1
134.02457	2.3
134.03284	5.9
134.04712	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	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.56485	1.0
59.01366	1.8
65.00328	4.1
69.19587	6.6
71.01389	44.5
72.01708	1.3
72.99314	11.9
75.59155	1.0
77.03972	19.9
78.04297	1.3
82.56906	1.1
87.00887	1.5
89.02449	3.9
89.03967	8.0
92.02561	1.8
95.05034	35.9
96.05388	1.8
104.02705	1.9
105.03474	59.7
106.03812	5.0
107.03648	8.4
115.00381	53.4
121.03001	1.4
123.04523	5.6
132.02180	20.2
132.86809	2.3
133.01523	10.8
133.02971	100.0
133.06924	1.3
134.02466	3.5
134.03677	10.5
134.04747	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.33824	1.4
52.99134	1.3
53.34093	1.2
54.16053	1.7
62.63087	1.3
65.00319	5.1
69.09199	6.4
69.09605	3.2
71.01386	66.1
72.38251	1.4
72.99314	15.6
77.03972	34.1
80.75471	1.2
82.50813	1.3
89.02423	6.5
89.03979	9.4
95.05034	47.3
96.05398	2.4
98.22649	2.1
104.02726	2.4
105.03468	93.9
106.03822	6.2
115.00381	75.9
115.76163	1.4
116.00757	3.2
120.11711	1.5
121.02970	1.8
123.04544	5.9
132.02196	19.9
133.01486	15.6
133.02969	100.0
134.03285	10.6
134.04765	3.2
152.06178	1.4
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	Unknow
Peak:m/z	Relative Intensity
54.60380	1.2
58.48474	1.3
64.55825	1.2
65.00323	4.4
68.85065	1.2
69.44413	5.4
71.01382	15.0
72.99319	4.5
77.03974	30.3
78.04321	2.3
83.77188	1.3
89.03973	9.8
95.05037	38.1
96.05375	2.2
102.78554	1.3
104.02686	1.4
105.03468	95.7
106.03812	5.7
115.00387	18.3
123.04559	6.0
130.26076	1.3
130.52727	1.4
132.02184	19.1
133.01405	3.1
133.02969	100.0
134.03258	6.7
134.04774	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	134.0376
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
67.11787	2.4
69.06944	20.0
71.01382	5.1
72.01712	5.7
72.99313	2.7
75.00881	5.4
79.98670	2.5
92.02637	3.8
93.03465	13.1
94.28288	3.3
97.43539	2.6
106.03720	3.7
107.03678	5.1
107.05048	4.3
108.02132	4.2
112.98388	2.8
116.00705	9.2
117.00777	3.1
122.12730	3.1
123.69637	2.7
133.02925	3.8
134.01701	3.2
134.03729	71.3
134.04761	15.8
134.89484	7.4
135.04550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0376
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
58.66208	0.8
69.46406	4.3
80.11637	1.1
89.03963	1.8
91.05535	1.4
92.02578	2.8
93.03468	4.0
98.21945	1.9
99.92601	4.9
106.04263	10.5
107.03652	6.0
107.05044	16.4
134.02553	5.0
134.03738	73.5
134.04733	20.0
134.86597	7.1
134.89485	69.0
135.04546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
55.05708	0.2
58.95484	0.3
65.01448	1.1
68.02549	0.9
69.84701	0.9
80.02564	0.3
92.02553	9.7
107.03645	39.1
108.03328	0.4
108.03986	1.3
109.68926	0.3
134.04739	100.0
135.03049	0.5
135.04530	5.9
135.05222	1.7
140.64569	0.3
141.08150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99833	0.8
69.31787	4.2
75.00880	1.2
79.05543	1.8
89.03951	0.7
91.05545	2.6
93.03458	1.4
98.22666	1.6
105.03492	0.8
106.04246	1.1
107.05043	23.3
108.02174	1.6
108.05362	1.5
117.03494	0.7
123.04511	0.6
134.02853	1.0
134.03780	9.8
134.86551	13.7
134.89484	5.9
135.04539	100.0
136.01640	1.6
136.04041	1.1
136.04893	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	135.0454
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
54.31841	0.5
57.99989	0.5
58.22391	0.4
59.20385	0.5
63.96239	2.4
72.99305	2.1
73.98307	1.1
89.03969	1.6
91.05565	1.5
92.02655	0.7
92.05100	1.1
93.03461	3.2
94.03001	1.0
94.39308	0.7
99.92599	6.8
106.04253	4.4
107.05042	17.6
108.02174	4.3
108.04603	0.7
117.03483	1.8
117.97310	0.9
123.04533	1.6
129.57825	0.5
134.02742	0.7
134.03754	13.6
134.86612	6.4
134.89487	100.0
135.04538	91.4
135.89497	7.5
136.01680	2.3
136.04018	2.1
136.04906	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	135.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21861	6.0
72.97538	2.0
75.00890	1.9
76.03036	0.9
78.45438	0.9
91.05500	1.9
92.05063	1.4
93.03470	4.2
98.22712	1.8
99.92619	3.1
106.04297	1.9
107.05051	9.4
108.02182	5.2
108.04582	1.2
108.05356	1.5
117.03476	1.5
120.05826	24.0
121.06138	2.3
133.06602	1.6
134.03764	19.7
134.86574	8.7
134.89496	29.4
135.04544	100.0
135.08174	87.9
135.89540	1.6
136.04086	1.9
136.04910	7.0
136.08496	7.3
150.52057	1.1
152.04793	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	136.0167
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.83713	0.6
57.11867	0.8
65.00319	1.1
65.03965	1.1
69.05566	3.9
81.03462	1.5
82.66367	0.7
84.28861	0.7
92.02697	7.8
92.05049	1.3
93.03465	100.0
94.03801	1.6
95.01389	4.2
98.21841	1.6
105.29193	0.8
108.02183	38.2
109.02418	1.4
109.02990	2.7
135.89413	0.7
136.01674	34.4
136.03967	1.6
136.04881	6.2
136.89194	1.0
137.02472	39.2
150.97025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
51.89338	0.2
53.32633	0.2
57.39207	0.2
65.03959	1.2
65.55440	0.2
69.54597	0.8
70.05525	0.2
93.03466	100.0
94.03800	4.8
99.65002	0.3
108.02197	0.7
132.76767	0.2
136.01726	0.2
137.02461	15.1
138.01955	0.7
138.02867	1.1
151.91406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.31361	0.4
57.70154	0.3
65.03960	0.8
69.14243	1.8
69.23795	0.3
80.86146	0.3
81.03462	3.6
81.25593	0.3
82.32869	0.3
91.01903	1.2
92.02687	0.3
93.03464	25.1
94.03815	1.7
95.01402	0.9
98.22637	0.7
101.55021	0.4
108.02175	6.9
109.02978	3.8
119.01376	2.1
121.39201	0.3
123.00888	1.6
123.03282	1.4
131.98454	0.3
136.01669	11.8
136.89178	1.7
137.02454	100.0
138.01930	1.5
138.02806	5.5
138.05652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88755	0.7
65.00336	2.7
67.01888	3.8
69.80477	2.8
72.15250	0.8
83.01412	0.9
87.70766	0.8
90.99620	0.8
93.03479	0.9
94.02977	1.1
94.03819	1.9
95.01393	54.8
96.01738	2.7
108.02183	8.7
109.02474	1.4
111.00894	11.7
121.02966	1.1
121.17613	0.9
123.00896	100.0
124.01225	2.9
124.01707	4.4
136.98827	1.3
138.01947	11.9
138.02904	2.5
139.00381	2.4
139.04057	1.1
158.05994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0401
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
52.14917	1.5
54.73380	1.5
56.82357	1.4
56.86134	1.5
65.03969	8.1
67.01883	4.4
75.35713	1.4
79.95691	1.6
80.02711	7.9
81.03439	1.6
82.81963	1.6
83.05009	9.2
93.03467	100.0
93.93813	1.5
94.03802	6.7
94.98061	1.9
95.05047	6.6
97.02962	3.9
109.02977	1.9
111.00884	4.6
111.04534	19.3
121.02970	81.3
122.03320	5.3
124.01642	3.3
129.30714	1.5
139.00427	1.8
139.04022	44.4
139.07646	2.2
140.04417	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	139.0403
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.29037	0.9
55.01885	2.0
58.01201	1.0
58.27494	1.0
59.01371	1.1
60.38066	1.1
63.79741	1.1
67.01881	2.0
69.03466	7.4
70.02998	1.5
70.08245	2.9
72.58376	1.0
80.57343	0.9
81.93087	1.1
83.05039	4.2
93.03461	2.9
95.01410	1.8
95.05025	5.1
96.02193	3.8
97.02966	15.6
98.96453	1.2
107.32893	1.0
109.02995	1.7
111.00893	5.4
111.04531	40.0
112.04894	2.3
121.02988	3.1
124.01677	100.0
125.01979	5.7
137.02498	2.6
139.00415	2.7
139.04034	31.1
140.03496	2.5
140.04439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0766
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
55.01873	14.3
59.01389	44.4
67.01910	19.4
68.01421	21.8
74.39207	8.8
79.05553	15.4
82.30135	9.2
91.04679	7.9
95.01391	17.8
95.05029	93.0
96.02186	12.5
97.06595	24.6
109.02508	24.2
111.00885	100.0
111.08167	49.6
121.06601	44.0
138.89061	29.4
139.00383	31.2
139.01384	11.3
139.02322	18.7
139.07643	76.3
140.03525	35.4
145.14226	10.7
155.40706	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	141.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11565	2.3
55.01872	11.0
57.03455	29.7
59.01384	64.6
67.01884	6.5
68.99821	100.0
69.03462	28.0
70.00195	2.6
71.01383	26.5
72.99310	2.6
73.02960	5.6
83.01385	8.5
85.02471	4.2
85.02955	62.0
94.80276	2.6
95.01389	40.5
97.02962	36.2
99.00895	50.3
111.00883	9.9
113.01719	4.8
113.02457	64.7
114.02781	3.8
115.03046	3.1
123.00874	6.1
141.01939	49.2
142.04129	6.4
142.05122	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	141.0196
Annotation	4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
53.11565	2.3
55.01872	11.0
57.03455	29.7
59.01384	64.6
67.01884	6.5
68.99821	100.0
69.03462	28.0
70.00195	2.6
71.01383	26.5
72.99310	2.6
73.02960	5.6
83.01385	8.5
85.02471	4.2
85.02955	62.0
94.80276	2.6
95.01389	40.5
97.02962	36.2
99.00895	50.3
111.00883	9.9
113.01719	4.8
113.02457	64.7
114.02781	3.8
115.03046	3.1
123.00874	6.1
141.01939	49.2
142.04129	6.4
142.05122	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	141.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32486	1.7
59.01385	100.0
60.01694	2.0
65.03974	11.9
67.01895	2.8
68.99825	19.4
69.03461	4.0
71.01373	2.2
71.41808	1.6
81.03012	3.1
81.03465	44.9
82.03784	2.6
85.02958	5.4
94.07105	1.6
95.01392	2.2
99.92604	3.1
100.96182	1.7
102.50523	1.5
109.02966	33.5
110.03282	2.1
112.56070	1.9
113.02454	2.0
114.05624	2.1
124.21929	1.8
125.99513	1.9
141.01978	6.5
142.04092	11.6
142.05086	3.5
146.23181	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	142.0664
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
52.41063	0.3
66.01125	0.3
70.82939	0.6
85.90440	0.4
116.05073	2.8
140.05049	0.6
142.06633	100.0
143.06981	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	28.5
55.01863	2.9
56.48245	3.2
59.01381	21.2
61.33400	2.9
68.99816	8.8
71.01389	53.9
80.99803	9.3
83.01385	5.7
84.53442	2.8
85.02930	3.2
87.00884	16.2
90.86401	2.9
96.99332	35.3
99.00891	3.6
99.02020	6.2
100.07689	3.2
102.05627	8.6
105.97754	2.7
112.98824	43.2
115.00362	8.0
124.38640	2.8
124.97934	6.2
124.98820	87.1
140.98343	15.9
142.99872	100.0
143.10811	3.7
144.00212	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	143.0351
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
56.66841	3.1
57.03442	7.4
59.01364	6.5
61.98832	5.1
69.03449	11.2
70.11163	8.3
71.01385	100.0
71.42686	2.6
81.03475	6.7
83.01396	11.2
85.02959	55.1
89.01434	6.8
95.01418	3.5
97.02954	11.7
98.21976	3.7
99.04505	5.5
113.02460	6.8
116.02570	3.9
125.02480	19.3
143.02464	7.4
143.03551	15.4
143.10805	6.7
144.02119	5.3
144.04582	46.9
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
55.01882	0.3
59.01386	0.6
65.99838	0.3
71.01379	0.5
73.02941	2.6
81.03470	0.4
83.01393	1.1
83.05042	0.9
88.94680	0.3
98.22574	0.3
99.00898	0.6
100.07663	0.4
101.02454	0.5
101.06103	0.9
102.05652	0.3
115.00388	0.3
115.63191	0.3
116.05084	2.9
117.03478	1.8
126.03511	1.2
142.02989	0.6
144.04564	100.0
144.96451	0.6
145.02972	1.7
145.04945	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.17238	0.1
58.24216	0.1
58.94719	0.1
65.99858	0.2
73.89643	0.1
74.87982	0.1
115.04282	0.2
116.05073	2.3
117.03455	0.2
117.05364	0.2
126.03500	1.6
142.02992	0.5
143.03790	0.3
144.04564	100.0
145.04918	8.0
145.06126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
51.10456	0.3
54.40748	0.4
55.64037	0.3
55.64558	0.4
57.03478	0.4
58.91364	0.3
71.40907	0.3
73.02937	0.7
83.01395	0.4
83.05038	0.4
85.35114	0.4
89.03986	1.5
99.00882	2.1
99.04458	0.4
99.08163	0.8
101.06091	0.5
116.09546	0.3
117.03478	100.0
118.02984	0.8
118.03809	7.3
130.92081	0.4
144.96512	0.5
145.02968	36.6
146.02364	3.9
146.03374	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	145.062
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
58.02976	19.2
67.03002	8.3
69.52328	12.3
69.52691	3.2
70.02979	3.1
72.00896	8.2
74.02473	32.9
82.02963	10.2
84.04559	49.6
85.98729	2.6
86.02472	8.7
93.70810	3.0
97.04058	3.0
99.05643	7.8
101.07207	17.2
102.05608	14.4
109.04086	51.8
125.03555	10.3
126.26330	3.0
127.04256	6.4
127.05144	100.0
128.03551	38.9
128.05519	3.9
139.61453	2.9
145.06186	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0621
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.47651	2.0
58.02986	15.3
61.21902	2.0
61.44906	2.1
65.00918	1.7
67.03011	7.1
67.80790	2.0
72.00918	8.3
74.02481	32.4
75.67033	2.1
82.02979	15.7
83.35431	2.2
84.04082	4.0
84.04556	60.8
86.02490	10.8
86.71093	1.8
97.04096	2.6
97.06622	3.0
98.02487	5.6
99.05652	8.1
99.08157	24.3
101.06149	3.0
101.07222	25.4
102.05616	9.0
109.04089	56.3
110.33145	1.7
113.88720	2.2
117.03434	2.7
118.03004	5.4
125.03572	15.8
127.05158	100.0
128.03563	46.3
128.05496	4.9
129.03937	2.7
145.02979	4.1
145.05032	3.6
145.06201	51.7
145.08711	23.8
146.02486	19.4
146.09129	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	145.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	15.7
62.55540	2.4
67.03012	5.2
70.02975	2.2
71.01390	3.0
72.00921	10.6
72.87482	2.1
73.02968	3.2
73.26880	2.1
74.02483	34.2
76.73762	2.0
82.02550	2.0
82.02984	13.5
83.44467	2.4
84.04560	57.5
85.02919	2.1
86.02489	7.8
88.97379	2.0
97.04074	2.8
98.02494	3.6
98.21903	5.2
99.05631	8.4
101.07215	19.7
102.05592	5.5
102.57819	2.1
103.09245	2.1
107.02531	3.2
109.04089	44.2
118.03003	3.1
125.03629	12.0
127.05152	100.0
127.06100	4.9
128.03558	43.0
128.05484	6.3
129.03854	2.4
145.05028	4.5
145.06197	49.3
146.02457	11.7
146.06566	2.2
158.72549	2.1
162.12125	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	145.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	11.9
60.61880	3.5
65.91998	3.8
67.03021	6.9
68.94326	3.2
72.00903	7.6
74.02471	26.6
82.02973	13.9
84.04552	55.3
85.04888	4.2
86.02501	9.4
97.04073	4.7
98.22046	20.6
98.22722	7.4
99.05631	8.1
101.07224	21.0
102.05621	57.4
109.04086	51.7
116.38304	3.1
117.61655	3.1
124.97113	3.2
125.03587	12.1
127.05149	100.0
128.02704	6.4
128.03560	65.8
131.33255	3.5
145.06207	53.3
146.04568	7.7
152.08607	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	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22987	1.8
57.03448	27.0
59.01387	17.2
61.00431	12.4
67.02998	2.1
69.09486	10.7
71.01390	12.6
71.05019	6.0
72.99304	5.7
83.02489	2.5
83.05087	1.7
84.85001	1.7
85.02956	77.7
85.04056	4.6
85.43879	1.8
86.03281	2.5
87.00882	100.0
88.01214	2.0
89.47672	1.7
99.00934	1.7
101.02435	6.9
101.06081	4.5
103.04031	9.2
129.01942	13.1
135.04523	2.7
143.47449	1.7
147.02997	22.9
147.06654	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	147.0301
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
55.22987	1.8
57.03448	27.0
59.01387	17.2
61.00431	12.4
67.02998	2.1
69.09486	10.7
71.01390	12.6
71.05019	6.0
72.99304	5.7
83.02489	2.5
83.05087	1.7
84.85001	1.7
85.02956	77.7
85.04056	4.6
85.43879	1.8
86.03281	2.5
87.00882	100.0
88.01214	2.0
89.47672	1.7
99.00934	1.7
101.02435	6.9
101.06081	4.5
103.04031	9.2
129.01942	13.1
135.04523	2.7
143.47449	1.7
147.02997	22.9
147.06654	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01884	4.4
55.96347	2.9
57.03447	23.6
59.01384	22.3
70.66051	4.8
71.01397	7.1
71.05019	8.0
72.99313	6.1
75.00883	7.9
81.66364	2.8
84.74402	2.9
85.02957	100.0
86.03294	4.7
87.00880	32.1
94.09367	2.7
101.06074	3.6
103.05515	4.3
115.86405	3.6
117.04430	2.6
119.05023	9.1
147.02013	12.1
147.03267	5.2
147.04512	54.3
147.06648	9.9
148.04012	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	149.0246
Annotation	Piperonal
Peak:m/z	Relative Intensity
59.01377	1.1
61.42699	0.4
61.93132	0.4
61.97605	0.4
65.00331	0.5
69.43147	1.3
69.43558	0.8
77.03967	0.9
79.95747	0.9
80.90503	0.4
91.01914	1.1
92.02686	6.2
93.03468	4.5
94.99318	3.0
95.01392	2.0
95.05024	1.3
104.97790	0.8
106.04234	0.7
108.02181	5.8
120.02188	2.5
121.02969	100.0
121.22118	0.4
122.03299	6.2
123.04532	0.5
134.03755	46.8
135.04106	3.0
146.31218	0.4
148.96718	0.6
149.02460	20.9
149.06070	2.0
149.98935	0.4
150.00183	0.7
150.02870	1.4
150.05615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
55.01873	1.1
55.90264	0.7
59.01380	20.1
69.03459	5.3
69.43135	1.8
69.43534	2.0
71.01385	31.8
72.99323	11.1
73.02528	0.9
73.02949	32.8
75.00876	91.3
75.82447	0.7
76.01228	1.7
79.78921	0.7
82.26037	1.0
85.02958	2.4
87.00885	9.0
89.02451	100.0
90.02788	2.6
101.02433	1.9
101.35181	0.7
103.04021	6.5
131.03519	11.7
144.82956	0.9
149.04561	44.1
150.04921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
65.00325	1.3
72.82355	0.7
73.33917	0.8
77.03963	1.6
82.33975	0.7
93.03474	6.9
94.99327	3.1
95.01408	1.7
95.05039	1.3
104.20467	0.8
104.97769	1.0
106.04261	1.9
114.75595	0.7
121.02975	24.1
121.06611	3.4
122.02514	0.9
122.03339	1.7
127.44820	0.9
129.24445	0.8
134.03760	100.0
135.03188	1.0
135.04111	7.1
149.02469	10.2
149.04501	0.7
149.06107	4.4
150.00192	1.5
150.03044	0.8
150.05557	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	149.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33554	0.3
69.17870	1.2
69.18262	0.8
77.03961	0.5
91.01900	0.6
92.02701	2.5
93.03471	3.2
94.99320	1.3
95.01405	1.0
95.05041	0.6
102.18602	0.3
104.97766	0.5
106.04269	1.3
108.02179	2.4
117.38488	0.3
120.02193	1.4
121.02969	40.2
121.06689	0.5
122.03288	2.0
134.03755	100.0
135.04092	7.0
140.45395	0.4
149.02473	7.7
149.06094	2.6
150.00166	0.5
150.03130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.11851	0.2
52.66301	0.1
66.03461	0.2
71.01360	0.2
71.37875	0.2
71.49901	0.2
72.56191	0.2
75.04967	0.2
78.46278	0.2
84.29784	0.2
91.56978	0.1
92.02679	2.6
93.59014	0.2
95.01414	0.7
101.16994	0.2
107.05027	0.4
107.85812	0.2
108.02190	5.8
108.04567	0.3
109.03014	0.2
120.43633	0.2
122.03756	0.9
123.00967	0.3
123.04528	2.4
136.01672	100.0
137.02014	5.0
151.04021	9.2
151.05237	0.5
151.07585	0.4
152.04468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
62.55221	0.4
65.03967	17.2
66.04293	0.4
67.01888	7.7
69.08842	0.3
69.69765	0.4
69.96408	0.3
71.39581	0.4
81.03467	0.4
82.00600	0.6
82.02998	0.7
83.01373	0.4
91.01901	5.1
93.04588	0.7
95.01360	0.5
107.70335	0.3
108.02162	0.7
109.02959	100.0
110.00108	1.1
110.03281	5.3
110.03964	0.6
123.00897	1.8
123.04584	0.7
125.02497	0.9
135.00894	28.6
136.01224	1.2
137.99593	1.0
138.03233	1.3
153.01950	61.1
153.09235	1.1
154.02342	3.0
154.05116	0.6
154.06270	0.8
161.02448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
50.81034	3.3
50.95203	3.5
57.03428	4.8
57.03953	4.4
58.22389	4.0
62.11296	4.8
67.01871	4.3
68.99794	7.5
69.03458	26.4
69.20939	3.6
71.01380	7.0
71.38074	3.8
79.05555	5.4
80.02665	8.6
81.03460	13.1
82.03012	6.3
83.01400	4.7
83.05027	15.6
93.03478	5.4
93.04589	5.8
95.01427	8.1
95.05029	15.6
97.02931	9.2
97.06593	31.2
103.00019	3.7
107.05026	40.4
108.02186	28.8
109.02973	97.8
109.06619	9.1
110.00111	12.0
110.03751	16.0
111.04551	6.8
123.00900	70.0
123.04522	51.6
124.01671	8.5
124.05283	16.7
125.02470	10.1
125.06090	100.0
126.06474	4.1
127.89954	3.8
135.04510	27.5
137.03528	4.6
137.99615	8.1
138.03239	57.9
153.02017	34.9
153.03044	8.1
153.05588	75.8
153.06735	6.8
154.06194	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	153.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99329	0.4
81.03462	0.7
82.00591	2.1
82.03000	0.7
95.01398	9.9
96.01701	0.3
108.02154	0.5
109.02978	3.4
110.00110	5.8
111.00892	0.7
116.33928	0.3
123.00897	100.0
124.01218	4.2
125.02423	1.6
137.99655	3.1
138.03241	62.7
139.00406	2.9
139.03568	3.2
153.01965	3.6
153.05571	3.8
154.06256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
57.89913	2.0
59.82512	1.8
60.72153	2.1
68.99823	2.3
69.55443	2.6
69.55788	7.5
71.05028	3.5
81.03456	3.7
82.02965	6.6
83.05007	3.1
97.02959	2.4
97.06599	34.3
99.08165	11.3
109.02963	30.6
110.00117	7.2
123.00882	6.3
123.04544	4.5
124.01735	2.4
125.02427	7.8
125.09743	3.2
135.04558	3.2
137.09711	5.7
137.99582	1.9
138.03284	2.5
153.00806	4.2
153.01956	19.3
153.03090	3.5
153.12866	100.0
153.86885	31.7
154.01428	4.3
154.13225	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	154.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
60.61602	0.4
61.98836	0.8
66.03518	0.4
68.99837	0.7
69.36817	1.1
69.37207	0.8
81.03491	1.4
82.03005	3.5
83.01392	2.2
85.02919	0.4
95.05035	18.0
96.05373	0.9
96.96002	3.8
106.08536	0.5
109.03000	0.5
110.03292	0.9
111.00910	0.8
113.06116	1.5
124.01675	0.8
136.04056	0.7
139.04031	100.0
140.04378	4.6
153.86891	18.5
154.01416	2.5
154.06374	21.0
154.86816	1.3
154.99866	0.6
155.06792	1.1
164.67180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
54.07015	1.8
55.01861	2.4
60.99203	1.7
68.99822	93.9
69.03467	11.5
70.70644	3.1
71.01384	3.9
71.05028	18.5
81.03461	39.0
83.01376	2.9
83.05033	16.1
84.02183	5.5
84.05348	2.3
85.02972	9.9
93.03468	13.6
97.02972	7.6
99.04528	100.0
100.04888	2.1
109.02955	10.9
111.00880	3.3
111.04538	12.3
112.01668	4.3
112.04791	1.8
114.05579	2.6
125.02437	1.9
127.04030	51.7
137.02484	4.4
140.01195	9.8
155.03545	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	155.0352
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.84908	0.5
55.01689	0.5
55.01883	6.2
57.03447	2.0
58.00583	0.7
59.01386	3.6
59.21758	0.6
63.65142	0.6
65.03967	1.6
67.01888	1.6
68.99821	95.9
69.03458	10.3
70.00155	2.1
70.02972	1.3
71.01388	4.4
71.05024	17.0
71.38798	0.8
72.99300	1.1
78.95907	2.5
80.58147	0.6
81.03460	40.2
82.03797	1.5
83.01388	3.4
83.05029	15.9
84.02177	6.9
84.04549	1.0
84.05341	1.0
84.90443	0.6
85.02958	11.5
87.00893	1.2
93.03463	18.1
94.03796	0.7
94.04942	0.6
95.01376	0.9
97.02950	5.9
98.03766	1.3
99.04526	100.0
100.04861	3.3
109.02959	9.2
109.84530	0.6
111.00903	0.9
111.04535	12.3
112.01664	4.6
114.05626	5.1
123.72038	0.6
125.02485	4.5
127.00373	0.8
127.04021	53.8
128.03548	0.7
128.04329	2.9
137.02460	2.4
139.00323	0.6
140.01176	10.1
154.90598	3.1
154.91730	0.9
154.99916	3.0
155.03539	23.0
155.04742	1.4
156.06693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0716
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
51.45469	2.9
54.09692	2.5
55.01881	9.1
57.03450	3.9
58.00597	14.7
59.01384	93.9
62.06939	3.0
62.83220	2.7
64.36461	2.9
65.03974	3.0
68.99821	56.5
69.03450	9.5
70.91779	2.6
71.01387	17.0
71.05016	13.0
72.02168	6.6
72.99326	4.5
73.46561	2.6
81.03465	23.9
81.07102	5.4
83.01393	7.2
83.05037	31.4
83.61039	3.0
84.02154	20.9
85.02940	9.7
85.06601	4.3
86.00118	23.3
93.03459	10.8
95.05036	59.9
96.05487	2.6
97.02911	3.5
97.06582	25.1
99.04523	56.1
99.08161	65.5
100.08384	2.7
107.05038	100.0
108.02192	5.4
108.05325	5.4
108.26899	2.9
109.02933	6.5
109.06564	6.9
111.04529	7.9
111.08185	3.6
112.01667	10.2
113.06096	23.9
114.05598	3.0
125.06096	37.7
127.04021	29.6
127.07658	44.9
128.07942	3.8
137.02548	3.9
137.06079	8.5
140.01155	4.9
148.00047	3.0
154.99843	3.5
155.03516	10.1
155.07138	25.6
167.02495	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	155.1077
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
50.50375	2.6
53.25042	2.1
56.59718	1.8
58.02983	2.4
59.01372	3.5
60.34015	2.3
63.88232	2.0
67.01886	4.3
68.99822	4.2
69.32626	10.0
81.03479	1.9
83.01394	13.8
83.05045	2.4
85.02962	7.4
90.33120	2.0
94.61501	2.0
96.42032	2.0
96.96008	3.6
98.22603	4.6
111.00890	4.5
114.05606	9.0
154.99979	4.5
155.02629	3.5
155.07150	5.1
155.10806	100.0
156.06638	2.9
156.11131	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	155.108
Annotation	S-HNE
Peak:m/z	Relative Intensity
50.93405	0.6
55.07475	0.7
59.01368	2.4
59.28989	0.6
66.50434	0.6
69.39980	3.3
70.59553	0.6
78.83389	0.6
80.02694	0.9
83.01392	1.2
85.02967	3.2
89.68449	0.7
102.12266	0.6
113.02475	2.6
120.26042	0.7
120.72175	0.7
137.09734	2.2
147.07674	0.6
155.10797	100.0
155.86555	1.0
156.11108	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	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
50.96144	0.7
59.01374	1.6
60.90075	0.9
67.01887	1.0
69.20449	4.6
83.01405	3.4
85.02982	1.8
96.96007	2.1
111.00893	1.3
113.02437	1.0
135.09581	0.8
137.09715	1.2
154.86865	2.3
155.10793	100.0
155.86586	6.7
156.03020	0.8
156.06644	1.0
156.11136	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	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.44972	1.1
58.57983	1.0
59.58750	1.0
65.21138	1.0
73.02946	7.4
83.01395	3.3
111.00890	1.9
111.08138	1.6
114.05597	1.9
137.09743	7.6
154.06363	1.2
155.10793	100.0
156.11111	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	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
51.46144	1.4
59.01374	1.9
59.61187	1.2
69.18338	8.0
73.02957	7.1
75.10719	1.3
76.93549	1.6
83.01381	1.6
85.02954	1.8
98.00091	2.5
98.22631	2.9
110.41843	1.7
111.00848	1.7
111.08146	1.4
114.05602	2.7
129.20386	1.4
137.09727	6.3
147.14162	1.3
150.15099	1.3
154.99866	1.4
155.10791	100.0
156.11122	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	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01863	3.5
59.50468	1.3
67.01913	2.1
69.37428	7.3
69.42456	1.3
73.02956	11.7
82.06628	1.4
83.01404	5.2
83.05044	1.8
85.02963	3.3
87.49498	1.6
96.00917	1.3
97.06600	1.2
111.00890	1.9
111.08198	2.1
114.05618	5.3
114.33701	1.6
127.04058	1.8
137.09744	4.5
155.02641	1.7
155.07167	2.7
155.10797	100.0
156.06726	2.0
156.11093	6.4
157.09407	1.4
168.34015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1081
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.23935	0.9
59.01382	0.7
62.70025	0.7
67.01853	0.8
69.29446	2.0
69.29848	2.0
83.01395	2.9
90.54561	0.7
91.27515	0.8
105.80817	0.7
111.00875	2.0
114.05611	1.3
137.09744	1.1
139.53824	0.8
148.15944	0.8
155.10793	100.0
156.11137	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	156.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.6
59.01387	40.4
66.03480	18.2
69.03448	6.7
69.55846	20.6
69.56180	5.0
79.95752	19.4
80.05066	62.9
82.06636	30.6
84.04560	6.1
84.99326	14.7
85.02928	8.1
85.11685	5.5
87.34618	5.2
90.62247	5.1
92.58257	5.1
93.53597	5.5
94.00282	4.6
98.21960	5.9
99.00880	12.7
111.90727	5.1
111.99611	20.4
113.06094	100.0
113.09765	11.0
114.05631	38.8
125.95364	5.0
127.00368	24.3
128.10799	6.0
146.29883	4.7
156.04562	5.9
156.06671	72.4
156.89429	6.4
157.05064	7.3
157.06906	6.4
157.08728	25.4
157.12347	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01387	100.0
59.89257	0.5
60.01727	1.6
67.98643	0.5
68.99834	5.0
69.03463	1.2
70.02976	0.7
70.41930	0.5
71.01389	1.7
71.36851	0.4
72.97533	0.5
75.00880	0.6
77.47519	0.5
78.95941	0.5
84.04604	0.5
84.97545	0.6
85.02980	0.9
85.99976	3.5
86.02464	0.7
86.06116	2.8
96.04554	4.4
96.99314	1.2
99.00903	1.3
101.00928	0.5
101.02447	0.5
102.05635	0.5
112.04047	3.1
113.02465	0.6
113.06106	0.6
114.05643	1.9
114.09256	0.8
114.98941	0.8
115.05983	1.7
116.07184	11.8
117.00475	0.6
127.00394	2.3
129.04271	0.7
131.02045	1.5
135.66525	0.5
139.00461	0.5
156.89511	1.2
157.00108	0.9
157.01482	1.9
157.05144	0.8
157.07690	0.6
157.08833	2.5
157.12389	3.0
158.04691	1.1
158.06186	0.6
158.08253	3.3
158.12796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01386	26.7
64.47856	1.4
67.05536	5.3
69.05792	9.5
71.01388	18.4
71.10630	1.6
83.05025	1.7
109.06593	8.9
111.08157	6.4
113.09786	1.6
121.06561	2.1
125.84863	1.4
127.00389	2.8
127.07668	56.8
128.08018	1.9
139.07661	37.1
140.08038	2.2
155.07127	1.9
157.08713	100.0
157.12315	3.8
158.03592	1.6
158.09045	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	159.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.4
59.01382	100.0
60.01725	1.9
61.01813	0.6
67.37244	0.3
71.01387	0.9
71.38152	0.4
72.99309	0.3
73.01456	0.5
73.02959	1.9
74.99379	0.8
83.01374	0.4
86.95446	0.4
87.00890	1.1
97.06590	0.4
99.00899	0.7
99.92597	4.0
101.02474	0.8
108.94556	0.3
111.00924	1.0
114.94971	2.8
115.02521	5.0
115.97634	0.5
116.02569	0.4
116.92867	12.4
116.98669	1.7
117.00452	9.6
117.02298	0.4
117.09394	0.4
117.92910	0.8
117.95534	6.1
118.00561	0.8
119.00212	0.8
129.01988	1.1
130.06087	0.4
138.34413	0.3
158.89330	0.7
158.93919	1.3
158.99733	0.4
159.00053	0.5
159.01538	6.5
159.03081	1.6
159.05669	0.6
159.10327	0.9
159.89363	0.5
159.96606	1.3
160.01695	1.0
161.01236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.0
55.90745	1.1
57.03456	5.8
59.01385	12.7
68.59928	1.1
68.99829	9.4
69.03460	2.8
69.40479	3.8
71.01394	17.7
72.99315	4.1
73.02952	100.0
74.03286	2.4
75.00875	3.9
82.83376	1.0
83.01393	12.0
85.02959	10.7
87.00885	39.7
95.01396	3.4
97.02957	1.4
98.21918	2.2
99.00889	10.6
99.92583	8.1
101.02451	34.6
102.02810	1.7
111.00894	37.8
113.02464	23.7
114.02753	1.1
114.94952	5.2
116.92873	23.3
116.93629	2.1
117.92844	1.1
129.01959	43.3
130.02240	1.6
141.01904	1.2
158.93889	1.4
159.03012	57.5
160.03253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
57.03458	5.8
58.00580	1.0
59.01379	13.3
67.01878	1.1
68.99823	8.3
69.03462	3.8
71.01392	15.5
71.04430	1.0
71.05470	1.5
72.99331	4.6
73.02952	100.0
74.03255	2.4
75.00883	3.3
83.01391	12.6
85.02953	10.7
87.00887	41.4
95.01404	3.4
97.02950	1.7
99.00887	11.2
99.92612	1.1
101.02453	33.0
101.03118	1.8
111.00890	42.4
112.01213	2.3
113.02457	20.9
114.72446	0.9
116.92902	1.4
120.19476	1.0
129.01950	37.3
130.02304	1.2
141.01932	1.2
153.04033	0.9
159.03008	61.4
160.03271	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	160.0617
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
54.86390	0.5
56.05022	0.6
57.03453	7.0
58.02980	3.1
59.01384	7.6
60.99304	0.6
66.49332	0.5
69.03443	0.6
69.51211	0.6
69.51550	1.9
71.01386	6.4
71.05031	4.7
72.99321	0.6
73.02955	3.2
74.02483	1.3
75.00856	0.6
81.03487	0.7
83.01374	1.0
84.04553	22.6
84.05068	1.1
85.02951	4.4
85.04880	0.5
86.02480	0.5
86.06128	2.0
87.00887	3.1
87.04538	1.0
88.04048	100.0
89.02448	0.8
89.04384	1.8
89.86818	0.5
97.02969	0.7
98.06119	8.8
99.00888	1.9
99.04518	5.4
101.02448	6.9
103.11925	0.5
107.41836	0.5
112.04040	1.2
114.09239	0.7
115.04037	1.2
116.07204	1.0
117.03468	1.3
117.05595	2.5
118.05121	5.4
128.03548	1.0
130.05112	17.9
131.03522	1.3
131.05469	0.6
132.02211	0.5
133.02966	3.9
142.05118	0.7
142.89143	1.2
143.03502	0.7
159.89403	13.1
160.04150	0.8
160.06169	13.2
160.09804	0.5
160.89291	7.9
161.02502	3.7
161.04581	3.9
161.05864	0.7
161.08185	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
65.00325	0.5
66.13954	0.5
69.45865	2.1
73.02962	0.8
77.03982	1.6
85.02967	0.9
89.03968	0.6
95.05047	0.7
99.04556	0.5
104.02714	1.1
105.03467	2.4
115.01907	1.7
117.03505	0.7
117.05581	0.6
123.04523	0.5
126.38710	0.6
131.03542	0.5
132.02185	12.1
133.02975	100.0
134.03308	4.7
143.91029	0.5
148.32808	0.4
156.25777	0.5
161.02461	60.5
161.08282	0.9
162.02872	2.9
179.15469	0.6
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
55.01873	1.1
57.03449	1.7
59.01384	6.6
59.28470	0.4
65.17958	0.5
69.94820	1.3
70.19513	0.5
71.01383	7.7
71.05016	3.3
73.02954	5.9
75.00889	0.8
77.03956	1.0
77.52629	0.5
83.01382	2.0
85.02961	8.2
86.03283	0.5
87.00894	0.9
87.04541	1.6
88.18317	0.4
89.02468	1.5
89.03973	1.1
95.05038	0.6
97.02962	0.6
99.00898	0.7
99.04539	4.1
101.02477	1.6
101.28508	0.4
104.02715	1.1
105.03452	3.2
113.02462	1.5
115.01892	1.7
115.04024	2.5
115.07647	0.6
116.92854	0.6
117.03467	2.2
117.05606	6.1
118.03014	1.8
118.62117	0.4
119.05020	0.6
122.03665	0.5
131.03522	2.7
132.02188	13.2
133.02974	100.0
134.02441	0.6
134.03329	4.8
160.89273	0.7
161.02470	60.1
161.04436	4.7
161.08218	8.5
162.03067	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	161.0247
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01384	2.0
65.00338	0.5
71.01396	2.1
71.05017	2.3
73.02945	2.4
77.03976	0.9
81.66370	0.3
83.01368	0.5
85.02955	2.4
87.00880	0.5
87.04517	0.6
89.03976	1.4
95.75997	0.3
97.02993	0.3
97.73341	0.3
99.04533	2.9
104.02705	0.7
105.03472	2.8
113.02430	0.4
115.01895	1.9
115.04049	0.9
115.07662	0.4
117.03482	1.5
117.05595	3.5
118.03057	0.6
123.04552	0.6
123.90466	0.3
131.03552	0.6
132.02185	11.2
133.02971	100.0
134.03307	4.3
143.03528	0.8
160.01622	0.5
161.02458	59.1
161.04619	1.8
161.06107	1.0
161.08224	3.7
161.09576	0.5
162.02951	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01886	4.0
55.87899	3.4
57.03451	12.1
59.01381	42.2
71.01387	82.3
71.05023	20.7
72.99321	8.7
73.02951	27.3
75.00883	6.9
81.03481	6.3
83.01412	6.6
84.02199	4.8
85.02953	90.4
87.00855	4.5
87.04529	9.1
89.02454	4.8
95.01392	30.6
97.02943	5.3
99.00886	5.4
99.04555	21.3
101.02478	11.3
113.02463	28.6
115.04016	7.7
117.03465	12.8
117.05593	27.9
119.00682	3.3
131.03549	8.2
132.02155	7.3
133.02974	100.0
133.06604	4.4
134.03358	4.6
153.36234	3.2
160.89333	5.2
161.02484	79.3
161.04549	26.2
161.06116	16.1
161.08215	28.8
162.03033	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
52.53740	2.5
55.01874	5.3
56.72702	2.5
57.03183	5.1
57.03452	100.0
59.01381	95.8
62.98732	2.4
69.03445	6.4
71.01383	84.6
71.05028	26.0
72.37824	2.9
72.99314	8.4
73.02941	41.6
75.00872	4.9
77.66521	2.8
81.03449	10.4
82.03019	3.2
83.01383	19.3
84.02178	2.9
85.02952	93.3
86.03275	4.1
87.00871	26.7
87.04513	6.9
87.66431	2.3
88.04031	3.4
89.02451	11.2
91.32403	2.8
95.01393	9.7
97.02935	8.0
99.00902	3.9
99.04527	95.8
100.04876	2.9
101.02451	51.6
108.03059	2.6
113.02446	17.7
115.03993	9.2
116.69107	2.5
117.03453	6.3
117.05586	24.5
118.03005	6.3
122.29618	2.9
129.01959	3.4
130.05763	2.9
131.03505	31.8
132.02219	3.3
133.02957	27.2
136.40997	2.9
143.03503	9.9
160.89255	6.1
161.02513	25.5
161.04581	68.4
161.08189	31.9
162.01942	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
52.35065	3.1
55.01873	6.0
57.03460	19.5
59.01385	75.6
69.03468	2.9
71.01389	80.9
71.05018	33.6
72.99315	5.1
73.02949	51.7
73.74827	2.5
75.00886	4.4
79.95745	13.6
81.03476	10.5
82.03000	29.9
83.01378	16.9
85.02957	100.0
86.70847	2.4
87.00889	9.4
87.04516	9.6
89.02449	11.3
95.01405	15.9
97.02971	5.4
99.00892	3.3
99.04530	53.0
101.02444	34.1
105.03489	4.7
111.95409	3.0
113.02486	24.0
115.04018	16.7
115.07653	3.9
116.92876	7.5
117.03466	11.0
117.05582	48.2
118.03004	6.8
119.05016	3.3
125.02448	3.5
131.03522	25.1
132.02188	8.6
133.02966	80.8
143.03532	5.7
160.84250	29.2
160.89273	10.8
160.99107	4.3
161.02469	71.3
161.04579	53.4
161.06073	14.7
161.08185	58.3
161.98854	16.7
162.01831	12.4
162.03130	4.1
162.05595	5.5
162.08517	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	161.061
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
57.03445	1.2
59.01384	7.8
69.03455	0.6
71.01390	5.9
71.05022	5.0
72.99299	0.5
73.02950	7.0
81.03456	1.1
83.01384	1.6
84.02171	0.5
85.02959	6.9
87.00883	1.2
87.04515	1.6
89.02459	1.1
97.02958	0.5
99.00884	0.7
99.04532	4.7
101.02441	1.1
105.49805	0.4
113.02454	1.3
115.03999	2.3
115.07666	0.6
115.92069	0.6
116.92877	3.2
117.03498	2.9
117.05596	7.8
118.02996	1.8
118.92733	0.6
119.05046	1.2
125.27397	0.4
131.03534	2.7
131.05045	0.9
133.02959	1.5
133.06601	6.5
134.02521	0.5
134.06932	0.5
142.92473	1.0
143.03508	0.6
145.02919	0.7
146.03764	2.1
159.04601	0.6
160.05324	2.0
160.82913	0.7
160.84239	10.3
160.89282	1.1
160.93503	0.7
161.02502	5.8
161.04636	5.3
161.06091	100.0
161.08069	10.1
162.01939	3.7
162.06474	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	162.0323
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
51.36742	0.5
55.45706	0.6
59.01369	1.4
61.28493	0.5
71.01395	1.0
73.02921	0.7
85.02975	1.6
91.01888	2.2
92.45695	0.6
93.03463	2.3
99.86832	0.7
101.02454	2.1
102.98532	0.6
104.44753	0.7
105.03493	0.9
106.04260	4.4
107.05034	6.6
116.20789	0.7
117.03445	1.2
118.03003	3.0
118.05883	0.8
119.01392	2.4
119.05038	13.2
120.02177	5.2
121.02937	2.5
123.04536	3.8
133.02972	4.7
134.03757	31.9
135.00928	1.5
135.01921	0.7
135.04588	5.7
135.08194	0.8
145.03001	1.6
161.02458	11.0
162.02020	8.3
162.03230	100.0
163.00372	6.1
163.04022	17.5
163.06142	1.2
163.07657	0.9
163.11215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
59.01387	0.5
62.22687	0.5
69.96458	1.0
69.96812	0.7
72.99317	0.5
92.05122	0.5
93.03474	3.2
95.35497	0.5
101.02382	1.1
119.05037	100.0
120.05391	5.3
135.04536	0.6
163.00397	0.9
163.04019	10.2
163.06084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
57.98240	0.2
59.01384	0.7
73.02962	0.6
78.98588	0.3
85.02947	0.5
91.01891	0.4
91.05556	0.7
93.03445	1.8
101.02460	0.6
102.68082	0.2
107.01478	0.3
107.05042	1.2
119.05042	100.0
120.04559	0.6
120.05367	5.0
121.02964	2.9
134.03752	1.5
135.00922	0.4
135.04567	1.6
135.41362	0.3
148.01646	1.3
149.02487	3.1
163.00369	1.2
163.04042	8.0
163.06146	0.5
164.04393	0.4
175.93085	0.3
184.96614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
61.98837	2.0
63.02399	1.3
65.00337	1.3
65.01435	1.2
65.48548	1.1
66.67741	1.0
69.88996	3.1
71.01387	1.2
85.02953	1.9
89.02499	1.0
91.01907	5.8
92.01440	1.8
93.03479	2.8
101.02462	2.8
103.01511	1.6
105.01961	3.3
107.05032	1.2
116.92107	7.7
116.92822	1.3
118.92595	1.5
118.99274	3.1
119.01409	3.5
119.05030	16.0
121.02970	1.4
135.00893	5.3
135.04521	2.2
139.50053	1.1
142.92514	1.5
147.08133	1.6
162.83936	12.1
162.89287	2.2
162.91571	1.2
162.93123	1.2
163.00389	16.0
163.01573	0.7
163.02672	1.0
163.04041	4.3
163.06107	2.1
163.11305	100.0
163.99884	2.7
164.03546	2.9
164.11644	9.2
175.81065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1126
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01378	2.8
60.03895	0.7
65.01458	0.8
65.99821	0.9
71.01393	1.1
84.60876	0.8
85.02994	1.0
91.01907	3.0
91.61160	0.7
92.01448	1.7
93.03477	1.8
95.01365	0.9
101.02456	2.7
104.70306	0.8
107.05048	1.7
116.92098	7.8
117.91927	2.0
118.99276	1.6
119.01404	1.4
119.05035	12.3
121.02972	1.0
135.00905	2.1
135.04483	2.1
142.64716	0.9
143.53102	0.8
147.08141	1.9
162.83929	1.4
162.89284	2.0
162.91486	1.2
163.00378	10.7
163.01575	0.6
163.04033	2.8
163.06171	1.4
163.11305	100.0
163.99887	1.7
164.03534	1.7
164.11636	7.8
166.06993	0.9
168.02655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
72.00916	48.6
91.05549	5.9
91.57885	0.6
93.99774	0.7
98.22704	1.3
98.94731	0.7
103.05551	7.1
105.01990	0.8
119.05074	0.9
121.02951	1.5
146.06143	1.0
147.04536	100.0
148.04837	5.7
164.07172	41.4
164.08569	1.6
165.07532	1.2
169.87054	0.8
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	Tricaine
Peak:m/z	Relative Intensity
59.01381	0.9
65.00320	0.4
80.05061	2.9
81.07098	2.2
93.03467	1.3
108.02168	0.5
108.04534	0.5
108.08212	2.4
109.02959	0.9
119.05055	0.5
120.04549	1.9
120.05358	0.8
121.01638	0.4
121.02969	9.4
121.05351	14.4
121.10168	0.5
122.02517	0.4
122.05685	0.4
124.04079	0.6
135.03296	0.5
135.04524	0.5
136.04065	1.7
136.07695	18.1
137.02484	2.4
137.04825	2.1
137.06070	0.8
137.08026	0.8
147.04524	0.7
149.00993	0.7
149.04826	9.6
149.06023	0.5
150.03235	0.7
150.05119	0.4
153.04356	1.0
160.33287	0.3
164.03552	4.2
164.07176	100.0
164.83601	2.1
165.01880	1.6
165.05504	0.5
165.07515	4.9
165.09198	1.0
169.62231	0.3
181.03851	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	165.0405
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
55.01873	1.5
57.03433	1.7
59.01378	11.2
59.49241	1.1
59.82849	0.9
67.09199	1.0
71.01390	7.2
72.99300	3.8
73.02940	3.3
75.00879	54.2
85.02949	1.2
87.00881	100.0
88.01221	2.8
89.02449	3.9
98.21827	2.1
99.00268	1.7
99.00882	21.3
101.02440	3.7
105.01941	71.6
106.02290	1.9
117.01942	4.8
129.01959	5.3
135.03029	2.2
135.36687	0.9
147.03000	10.6
164.33669	1.3
165.04053	58.0
166.04353	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	165.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
59.82228	0.6
65.89638	0.6
68.99838	1.7
69.57594	2.2
69.57973	1.3
71.01389	20.5
75.13550	0.5
75.96682	0.6
81.03461	1.5
91.05543	4.6
91.12345	0.6
93.03466	20.2
94.03799	0.8
95.05035	3.4
97.02906	0.7
106.04265	0.7
107.05055	4.3
108.02205	1.6
109.02976	0.9
119.05040	57.1
119.14359	0.6
120.05373	2.6
121.02968	100.0
121.06602	2.6
122.03783	32.4
123.04507	3.8
135.04530	2.6
136.05286	0.8
137.02448	1.4
137.06097	33.6
138.06407	1.4
147.04515	2.4
150.03258	3.9
163.04015	0.9
164.68950	0.6
165.01857	0.8
165.05577	26.8
166.05994	1.1
177.58101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	20312-36-1
Peak:m/z	Relative Intensity
56.14077	0.9
59.94492	1.1
66.89743	1.0
68.99821	8.5
69.51085	2.9
69.51476	1.7
79.05556	1.0
81.03445	1.9
83.87663	0.9
91.05526	1.9
93.03463	4.3
93.07118	3.0
94.04286	1.3
95.05036	13.5
107.05043	2.7
108.02181	11.7
109.02959	5.8
109.06592	7.5
119.05035	12.9
119.10769	1.0
121.02976	12.8
121.06605	56.9
122.03754	52.1
122.06930	1.8
123.04638	5.3
124.01768	1.0
131.70441	1.1
135.04555	5.7
136.01662	6.6
137.02467	46.6
137.06094	100.0
138.02797	1.5
138.06488	5.5
147.04533	5.5
150.03238	12.6
165.01941	29.6
165.04158	1.3
165.05585	25.0
165.06880	1.9
166.06085	1.1
167.66585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92606	0.2
59.01381	0.8
67.01857	0.3
69.92323	0.4
69.92710	0.4
73.50498	0.2
77.03966	0.3
79.05540	0.2
81.03452	0.3
93.03463	0.7
95.05034	2.0
106.04292	0.2
108.02190	3.3
109.02975	0.6
119.05050	0.6
121.02981	6.1
121.06596	1.7
122.03751	100.0
123.04076	2.2
123.04533	3.1
124.04918	0.3
135.04546	0.3
136.01724	0.3
137.01552	0.2
137.02438	1.0
137.06075	1.2
147.04572	0.4
149.00949	0.6
150.03238	12.7
151.03551	0.5
161.39264	0.2
164.04819	1.9
165.01991	1.0
165.05579	49.4
166.05960	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	165.0922
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
59.01375	7.5
65.99848	1.8
66.03499	2.2
67.01871	1.8
70.94440	1.4
70.95271	1.6
77.03967	6.2
78.41091	1.5
81.03461	5.2
82.67556	1.8
85.11308	1.5
92.99817	2.3
93.03457	6.8
95.01377	2.1
95.05067	2.5
97.06577	3.1
107.05067	4.0
108.02175	5.3
109.02968	4.4
109.05946	2.2
109.06571	11.8
119.05024	5.6
121.02966	100.0
121.06591	4.7
122.02505	2.3
122.03719	5.2
123.04547	1.9
135.04559	4.5
136.01701	3.0
137.02463	25.7
137.06117	5.9
147.04564	3.7
149.00987	6.2
150.03259	3.1
163.11409	1.5
164.83641	29.7
164.89789	1.9
165.01950	16.5
165.04181	3.2
165.05562	8.0
165.09225	97.9
165.12860	23.4
166.01408	9.6
166.05096	2.8
166.09589	7.4
166.13214	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	165.0922
Annotation	Cymorcin
Peak:m/z	Relative Intensity
53.73810	1.4
57.03461	7.5
59.01394	2.5
62.08279	1.1
69.50595	4.2
69.51006	2.3
76.67491	1.2
77.03963	1.6
81.07101	100.0
82.07453	4.0
83.05029	2.7
84.02184	5.1
95.05045	1.3
97.06575	2.0
103.85277	1.2
105.24258	1.3
109.06571	1.3
111.08185	14.4
121.02959	9.7
121.10258	3.7
137.02400	3.6
164.83704	2.8
165.02005	2.9
165.09224	30.6
165.12843	24.4
166.01479	1.9
166.13210	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	165.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35254	1.0
59.01377	6.6
65.00312	2.2
65.59261	0.9
67.01891	1.7
69.32941	5.7
71.01368	1.4
73.02956	1.1
77.03969	6.5
81.03442	1.4
81.06616	1.8
81.07099	36.7
82.07443	1.5
84.02178	1.7
87.00879	1.2
92.99814	1.1
93.03464	5.2
108.02175	3.6
109.02969	6.0
109.06594	1.6
119.05029	1.6
121.02965	100.0
121.06609	1.6
121.10294	2.4
122.02480	1.1
122.03315	3.5
123.04541	2.2
123.05661	1.3
136.01669	4.5
137.02457	20.2
137.06061	1.6
138.02800	1.8
149.00940	4.8
150.03218	2.5
151.00356	1.4
164.49359	1.0
164.83658	36.8
164.89662	4.1
165.01929	19.9
165.03102	0.7
165.04196	1.5
165.05583	4.4
165.09218	15.6
165.83733	1.8
166.01433	7.9
166.05145	2.4
166.09563	1.3
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	Orsellinate
Peak:m/z	Relative Intensity
59.01402	1.1
62.05034	1.1
63.02384	1.6
65.00329	8.0
67.01897	1.1
69.03477	1.2
69.26054	5.7
78.95917	28.1
80.02695	1.3
91.01901	50.1
91.25510	1.1
92.02224	1.5
95.01389	7.4
95.05015	1.0
96.04553	2.3
98.21879	2.4
99.59099	1.1
108.02186	68.9
109.02470	1.8
111.00891	4.1
112.98784	1.2
123.00911	6.9
123.04541	100.0
124.01662	3.9
124.04089	1.2
124.04903	3.5
139.00421	1.5
139.07631	1.2
144.78969	1.1
152.01172	95.2
153.01483	3.3
166.99911	1.2
167.03516	40.5
167.04922	2.0
168.04004	1.6
168.28075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58734	0.7
54.67757	0.8
63.02406	1.4
65.00330	10.0
69.03471	0.9
69.16149	4.6
80.02693	1.8
83.01381	1.2
88.59282	0.7
91.01905	58.1
92.02235	2.1
92.43145	0.7
95.01427	1.7
96.31068	0.6
98.24442	0.8
108.02187	68.5
109.02507	2.3
111.00889	3.6
116.40829	0.7
123.00890	2.2
123.04536	100.0
124.01677	2.8
124.04843	4.5
136.28534	0.7
152.01166	80.0
153.01605	3.4
167.03510	30.8
167.04930	1.6
167.07115	1.4
168.03908	1.3
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	Unknow
Peak:m/z	Relative Intensity
51.82009	0.9
55.01894	1.3
63.02399	1.8
65.00332	9.0
67.01900	1.1
80.02695	1.7
83.01398	1.1
83.90874	1.1
90.52692	0.9
91.01904	62.6
92.02254	2.2
95.01379	2.7
106.64088	0.9
108.02185	82.8
109.02438	1.2
111.00891	5.1
121.06549	1.2
123.00905	3.2
123.04538	100.0
123.08122	1.3
124.01648	3.4
124.04852	4.9
124.41021	0.9
132.66570	1.0
139.00368	1.8
140.10820	12.0
152.01164	95.1
153.01526	3.2
161.33833	1.0
167.03513	37.7
168.10353	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	167.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	1.6
57.03434	5.2
59.01388	2.2
65.00324	7.1
69.03448	5.4
71.39063	1.8
79.05521	3.8
80.02680	2.9
80.05055	2.0
81.03455	7.4
83.05029	31.8
85.02947	2.8
91.01904	50.0
92.02223	2.2
92.87066	2.1
93.03465	1.8
95.01401	16.4
95.05020	6.6
97.02936	5.4
97.06597	5.1
98.82160	1.8
99.35468	2.1
100.35270	2.0
106.04243	4.5
107.05038	22.6
108.01479	4.0
108.02184	68.4
110.03759	4.6
111.00871	5.6
111.93501	1.9
119.05025	12.7
121.06606	50.6
122.06881	2.5
123.00905	14.5
123.04534	100.0
124.01644	5.2
124.04836	2.7
125.06084	20.5
139.07649	6.9
149.06081	17.5
152.01166	70.7
153.01575	2.3
164.47997	1.9
164.70987	1.8
167.03508	34.1
167.07106	6.1
168.10236	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
52.38130	1.2
57.03442	1.9
59.01381	2.0
60.10305	1.5
63.02393	1.4
65.00327	10.0
67.01890	3.4
67.14283	1.1
68.99816	1.2
69.03451	7.8
69.15208	7.2
71.01370	4.3
74.27154	1.1
74.59158	1.2
77.77249	1.3
78.79599	1.1
78.95914	3.1
79.05545	2.9
80.02679	2.7
83.01407	2.1
83.05026	4.6
84.02174	3.9
85.02947	8.2
91.01900	43.7
92.02253	1.6
93.03467	2.4
93.07077	2.6
95.01386	14.6
95.05021	9.3
96.02191	3.4
97.02966	6.7
97.06590	16.9
98.03732	8.9
100.32621	1.2
105.07135	6.1
106.04271	2.8
107.05040	2.3
108.02181	70.1
109.02441	2.1
109.06595	11.0
110.03776	6.8
111.00896	3.6
111.08173	36.4
112.01677	15.4
112.08472	1.7
121.02952	2.1
121.06609	18.3
123.00909	10.6
123.04536	100.0
123.08145	7.9
124.01691	24.8
124.04789	2.4
124.05384	2.3
125.02452	1.3
125.06085	2.1
131.04997	2.3
134.03729	5.3
137.02480	1.2
137.06055	2.7
138.03224	1.6
139.00439	2.1
139.07663	79.3
140.08006	4.6
149.06088	46.0
150.06448	1.9
152.01164	88.5
152.04770	2.7
153.01630	2.5
167.03500	37.0
167.04913	2.1
167.07152	46.6
168.07465	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	167.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63329	1.5
63.91338	1.8
69.03479	2.7
69.54337	6.4
78.24366	1.9
79.05531	4.1
81.03462	3.1
83.05035	100.0
84.05353	3.9
85.02953	12.8
91.01891	5.0
91.05547	4.4
93.03464	6.5
95.01399	2.4
95.05019	10.5
97.02961	3.9
98.22592	2.8
106.04256	11.3
107.05090	8.1
108.02188	25.6
119.05035	40.8
121.02948	5.2
121.06608	77.2
122.03740	2.7
122.06916	3.4
123.00936	2.8
123.03642	3.6
123.04536	55.7
123.99889	15.5
124.01679	3.0
134.03754	13.1
138.06665	1.7
139.07643	3.5
148.05107	1.8
149.06094	60.3
150.06441	3.2
151.99384	47.9
152.01172	30.7
166.25954	1.9
166.28854	1.5
167.01912	8.9
167.03412	11.0
167.07185	7.8
167.10857	1.9
168.03091	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	167.0715
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.01831	3.0
55.13154	3.6
57.03441	4.3
59.01388	3.5
63.97490	3.0
68.99802	3.8
69.03463	42.2
69.98746	3.2
71.01382	4.6
71.05027	3.5
71.92348	2.9
71.95856	3.1
75.56122	3.8
77.50300	2.7
79.05556	3.6
80.02672	7.3
81.03426	4.6
83.05027	11.6
84.02179	5.6
85.02921	4.2
91.01900	5.0
93.03464	10.3
93.07095	3.6
95.01387	23.5
95.05037	13.7
96.04575	5.9
97.02949	15.4
97.06560	4.7
98.03710	4.3
98.22775	2.7
105.07121	8.3
106.04246	4.9
107.05026	16.1
108.02197	40.2
109.06593	30.6
110.03751	17.5
111.00871	5.6
111.08170	87.9
112.01648	8.5
116.43347	3.9
119.05013	3.7
121.06601	37.1
123.00887	12.6
123.04533	33.5
123.08167	16.8
124.01689	40.4
124.07648	4.2
124.98407	8.6
125.02322	3.5
125.06019	5.0
131.05002	6.2
134.03699	9.3
135.04492	3.3
137.02425	5.6
137.06088	7.1
138.03239	6.7
139.07661	95.3
140.08012	7.2
149.06093	99.4
150.06439	4.2
152.00002	3.7
152.01180	65.9
152.04794	6.8
153.00661	12.1
153.01755	4.0
164.13809	3.7
166.99574	3.8
167.03540	31.1
167.07155	100.0
168.03021	8.7
177.16586	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	167.1444
Annotation	2-Methylisoborneol
Peak:m/z	Relative Intensity
59.01364	2.6
61.98833	7.0
67.01920	4.4
69.53375	7.5
82.02978	2.6
82.95418	14.2
95.01394	14.8
95.05048	3.5
96.04568	3.8
107.05064	2.8
108.02200	26.8
109.06601	31.7
111.00906	3.7
111.08175	50.7
111.42528	2.2
112.08444	2.8
123.00891	11.2
123.04537	16.8
124.98459	43.3
125.02390	3.7
125.09713	3.6
126.95753	2.5
132.86803	25.4
140.02596	3.3
151.11317	3.4
152.01170	51.1
153.00688	31.3
166.83441	9.0
166.99611	11.6
167.03542	28.8
167.14430	100.0
167.87032	4.1
168.03110	8.7
168.06749	3.0
168.14755	7.4
185.92673	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	100.0
59.01392	0.7
59.03305	1.5
61.98820	1.7
65.87109	0.7
69.03465	1.2
69.69567	2.7
70.02995	1.4
82.02990	0.7
82.83888	0.7
82.95421	2.1
95.01395	0.8
96.04563	2.0
97.02972	1.3
123.00924	2.8
125.02459	10.2
125.09791	0.9
125.98512	0.7
126.01929	0.7
132.86784	7.8
141.02153	0.9
153.00661	13.0
167.05603	0.6
167.83588	0.9
168.03117	2.9
168.10376	0.9
168.13799	6.7
169.01463	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	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01084	0.4
59.01382	6.8
65.56324	0.2
65.80907	0.2
70.02963	0.2
70.89439	0.3
71.40228	0.4
73.01449	1.3
73.98622	0.5
74.99374	2.2
80.96525	0.5
82.92942	0.4
82.99914	0.8
83.02518	0.3
83.04990	0.3
87.00894	0.5
96.96003	0.7
98.99388	0.5
109.98586	3.2
110.98740	0.3
117.00460	1.5
125.00958	61.7
125.09760	0.4
126.01061	5.2
126.05622	1.2
126.98887	100.0
127.98978	8.5
141.00414	0.6
141.97589	20.2
142.97675	1.7
151.04077	0.3
167.02350	0.3
168.99937	36.6
170.00093	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	169.1235
Annotation	Platydiol
Peak:m/z	Relative Intensity
58.00591	10.3
63.65921	2.5
64.26836	2.6
65.00320	4.2
68.99814	2.9
69.03472	17.3
71.01367	7.7
81.03448	5.2
84.02165	13.2
88.33280	2.5
96.99306	3.5
97.02963	14.8
97.06583	5.1
98.02450	2.8
98.03729	27.0
98.21809	5.6
109.04056	3.7
113.09738	5.0
121.67147	2.7
125.02447	43.9
125.09734	31.6
132.86823	2.9
134.86560	11.0
137.09763	2.9
139.11313	21.7
141.12869	30.7
141.17519	2.7
151.11320	4.2
154.00999	3.2
167.10748	3.0
168.83664	4.0
169.01367	15.6
169.12349	100.0
170.12674	5.3
175.75581	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	170.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03448	3.8
59.01375	1.0
65.00328	0.6
72.04551	28.3
72.99331	0.7
82.02996	0.7
82.06624	1.8
82.93773	0.6
83.01396	2.4
83.05023	0.6
85.02944	0.9
98.02486	0.9
99.00887	0.6
109.06628	0.9
113.73924	0.6
114.09266	0.7
127.07655	5.9
128.03596	0.8
128.07240	0.6
140.03552	0.6
140.10847	4.0
142.12387	100.0
143.12738	5.2
145.03004	0.8
168.10315	18.3
169.10625	0.8
170.04681	2.8
170.11884	11.6
171.02031	6.1
171.06653	1.9
171.10307	5.5
171.11772	0.7
171.12474	0.9
171.13893	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
51.01590	0.8
53.30217	0.6
55.01866	0.6
59.01372	2.9
61.98830	1.7
66.56856	0.6
68.98705	0.7
68.99107	0.6
68.99802	1.7
70.71027	0.9
70.71371	0.9
78.95950	0.6
83.22119	0.6
88.98818	0.8
89.02454	1.3
90.55655	0.6
97.06574	1.1
99.00918	3.7
99.01460	0.7
99.08194	0.8
99.92616	2.2
107.06125	0.8
117.00410	0.9
122.40717	0.7
125.09740	3.9
127.07659	5.3
127.11314	7.8
127.92149	0.7
128.90108	1.5
130.08727	1.9
134.86536	3.0
136.86299	2.8
137.74706	0.8
144.04637	1.3
153.09198	2.6
170.83376	4.3
170.88380	2.5
171.02010	21.1
171.10280	100.0
171.13919	2.6
172.04089	0.9
172.10655	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.01869	0.4
58.08553	0.5
59.01385	1.7
61.98844	1.3
65.00331	1.5
68.99822	2.0
69.64497	1.3
70.64124	0.5
77.34612	0.5
81.04574	0.6
89.02448	0.8
99.00871	3.2
99.08173	1.3
99.92606	1.9
109.02934	0.5
109.06595	0.7
125.09749	2.6
127.07660	3.5
127.11313	7.5
130.08733	1.1
134.86591	1.1
136.86316	0.9
143.00090	0.6
144.04582	0.5
145.02995	1.1
145.04150	0.4
153.09241	1.5
170.83247	0.8
170.88405	1.0
171.02000	12.8
171.04472	1.2
171.10284	100.0
171.83197	0.7
172.02374	0.8
172.03926	0.7
172.10654	4.8
191.29701	0.5
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	Unknow
Peak:m/z	Relative Intensity
57.03456	5.4
59.01369	0.9
69.03465	1.5
69.72677	0.5
71.01363	0.6
98.21842	1.4
104.10442	0.5
107.05045	0.6
109.06596	4.1
111.08170	44.5
112.08501	1.5
116.23108	0.6
125.09734	44.9
126.10037	1.5
127.07664	5.5
127.11285	1.9
144.04573	5.0
157.31290	0.7
171.02008	1.6
171.10281	100.0
172.04041	1.8
172.10660	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	171.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01393	0.8
64.06091	0.3
71.40800	0.3
71.41178	0.4
78.65282	0.4
91.26325	0.3
97.06567	0.6
111.08256	0.4
123.08170	4.0
125.09737	79.1
126.10083	3.7
127.07660	4.1
127.11282	0.8
130.08748	0.5
144.04588	2.4
153.09192	0.7
171.02043	3.8
171.10284	100.0
171.13934	1.9
172.04039	1.4
172.10641	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	171.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06555	0.5
57.03452	3.9
59.01381	1.2
59.65898	0.7
62.01619	0.6
69.03433	1.5
69.71584	0.8
69.71918	2.1
98.36778	0.5
109.06594	4.7
111.08171	38.0
112.08498	1.8
125.09736	43.7
126.10071	1.7
127.07663	5.4
127.11291	2.6
128.03534	1.2
144.04552	2.1
171.02042	3.9
171.10284	100.0
172.03954	0.6
172.10645	5.5
188.70244	0.6
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	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
87.87274	0.5
99.00914	0.9
99.08150	0.8
125.09723	3.1
127.07676	1.3
127.11303	5.8
129.70682	0.4
153.09219	2.0
164.47156	0.5
171.02000	1.8
171.10286	100.0
172.10641	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	171.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22476	0.7
59.01371	1.4
62.15673	0.7
69.82212	2.3
69.82590	1.6
97.48312	0.8
111.08183	1.9
121.00365	0.8
123.08181	2.9
125.09734	66.7
126.10075	3.2
127.07661	11.8
127.11301	1.3
171.02016	2.1
171.10283	100.0
172.10666	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	171.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55909	0.6
57.03460	3.4
59.01377	1.7
61.93234	0.7
71.05019	1.1
105.33867	0.7
109.06575	2.1
111.08167	21.4
112.08496	0.8
123.08172	1.6
125.09740	55.1
126.10062	2.6
127.07664	5.0
127.11308	2.3
127.32359	0.6
130.55377	0.8
142.29694	0.7
144.04576	3.5
169.08905	0.6
171.02040	1.0
171.10287	100.0
172.04028	1.7
172.10640	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	171.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.02968	0.4
59.01385	1.4
69.09447	2.5
71.01386	0.5
74.02482	0.6
81.58055	0.3
82.02989	0.6
84.04543	0.8
98.21906	0.7
106.33208	0.3
111.08161	0.4
114.57693	0.3
123.08174	3.6
125.09737	80.3
126.10078	3.3
127.05203	0.5
127.07660	2.0
127.08713	0.8
127.11315	1.0
128.03552	4.6
141.09175	0.4
142.95758	0.4
144.04521	1.1
153.09195	0.7
169.08665	0.6
171.02037	3.0
171.10284	100.0
172.10631	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.71757	0.2
56.00980	0.2
57.03468	0.6
58.02978	1.4
59.01384	3.8
69.26198	0.7
69.26586	0.5
71.01379	0.4
73.40563	0.3
82.06638	0.7
83.01392	0.3
83.05031	1.4
85.06615	0.8
93.03451	1.3
99.00853	0.3
109.06609	0.4
111.00916	1.0
111.04543	0.4
111.08169	11.2
111.34960	0.2
113.06133	0.6
127.07600	0.2
128.08009	0.9
128.10849	1.9
129.09233	0.4
130.08749	100.0
131.07141	3.4
131.09102	2.9
144.04578	0.5
169.24333	0.2
172.03992	0.4
172.09798	11.3
173.08200	4.1
173.10078	0.7
173.11685	0.3
193.01617	0.3
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	Dehydroascorbate
Peak:m/z	Relative Intensity
50.15036	1.0
53.00314	2.7
55.01884	6.6
57.03443	4.8
58.02986	6.8
59.01383	6.5
66.12164	0.9
67.01891	3.2
68.73092	0.9
68.99820	4.0
69.59321	4.1
71.01390	100.0
71.32945	0.9
72.01721	1.9
72.99320	5.0
73.02962	6.0
74.02490	1.6
80.99825	3.3
83.01398	9.1
85.02962	9.6
86.06114	1.8
87.00883	4.7
93.03474	1.7
96.99320	6.4
98.22658	2.1
99.00894	36.7
99.01548	1.8
100.07702	7.0
101.02447	1.4
111.00890	22.9
111.04533	2.6
112.01183	1.1
112.98820	21.3
114.05608	1.2
115.00373	5.5
124.98825	34.6
128.07190	15.3
129.01932	3.6
129.10327	2.8
131.08273	2.6
132.06688	2.2
140.98320	2.0
142.99875	80.1
144.00247	2.3
154.99901	2.3
173.00922	11.6
173.09344	2.9
174.07727	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01866	0.3
57.03455	5.7
58.02968	0.7
59.01392	1.6
59.78125	0.2
67.01897	9.8
68.99821	0.2
69.03474	0.2
70.89839	0.2
71.01390	4.5
71.05022	0.3
72.00902	0.4
72.99316	3.3
73.02946	0.8
74.02478	0.7
76.99103	0.3
79.95705	0.2
83.01390	1.5
83.05061	0.3
85.02959	12.4
86.06120	0.3
87.00896	0.5
87.05642	1.5
88.04082	0.3
93.03470	2.7
96.99313	0.3
98.22467	1.1
99.00882	2.1
99.04527	0.3
100.07701	0.5
101.02431	0.7
111.00894	100.0
111.08178	0.6
112.01224	3.3
112.98811	2.1
114.05646	0.3
117.00476	0.5
119.00192	1.0
124.98810	1.7
126.05563	0.3
128.07155	1.2
129.01964	1.8
129.10342	0.3
130.05054	0.3
131.08276	7.0
136.99142	0.3
142.99875	3.5
154.99887	1.3
156.07817	0.2
169.03641	0.2
172.83070	0.6
173.01025	1.2
173.05812	0.2
173.09341	0.7
173.10603	0.3
173.98695	0.3
174.05591	0.3
174.07730	1.4
174.11372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0821
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
51.62698	0.9
57.03458	6.5
59.01385	68.9
60.01717	1.3
67.01897	6.0
69.03439	2.3
69.83565	2.4
69.83896	1.0
71.01383	5.8
72.99311	2.8
73.02956	2.2
81.03434	1.0
82.23271	0.9
83.01391	2.8
83.05031	15.2
85.02949	3.6
85.06597	16.7
87.00896	1.2
91.27213	0.8
93.03468	20.7
93.90422	0.9
99.00878	3.2
109.06599	4.4
111.00893	13.6
111.04521	3.9
111.08171	100.0
112.08498	3.9
112.98829	9.7
113.06095	8.2
115.00367	1.3
124.98860	2.2
129.01924	1.4
129.05710	1.2
129.09210	5.5
131.07152	77.1
132.07492	2.2
142.99876	4.0
145.02972	2.5
154.99815	0.9
173.02452	2.9
173.04582	2.8
173.06018	1.8
173.08199	33.5
173.11755	1.6
174.01726	3.5
174.05579	1.9
174.08551	2.0
188.25209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
57.03452	3.0
58.61347	1.2
59.01384	95.3
60.51234	1.2
67.01891	5.5
71.01389	3.4
71.32812	1.5
72.99324	7.8
73.02943	3.3
75.00873	8.9
83.05034	2.7
85.02950	3.9
85.06594	27.3
93.03465	16.6
99.00890	2.3
101.02467	1.9
111.00903	9.4
111.04526	3.1
111.08173	15.5
112.98824	2.1
113.06107	13.7
127.07668	1.5
131.07155	100.0
132.07523	3.1
145.03008	1.4
168.80318	1.4
173.02415	1.6
173.04678	1.7
173.05997	1.4
173.08209	11.1
173.09572	2.1
173.11870	1.3
174.05627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.68998	0.3
57.03441	0.4
59.01371	0.5
67.01881	1.0
67.42778	0.3
71.01408	0.4
73.02946	0.4
83.05039	0.8
85.02948	0.6
87.04525	0.3
93.03477	4.2
98.41388	0.3
98.50008	0.3
111.00886	3.1
111.04530	0.6
111.08167	2.3
120.16612	0.3
125.09775	0.6
127.11303	12.5
128.11661	0.3
129.01938	0.3
129.09242	6.5
145.02960	0.5
145.04904	0.5
155.07224	0.5
155.10808	2.8
159.03276	0.5
171.10284	1.1
172.97173	0.3
173.02458	0.7
173.04440	0.9
173.08237	3.4
173.11836	100.0
174.01910	0.3
174.05580	0.5
174.12183	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	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03431	0.6
59.01375	0.8
65.22881	0.4
67.01898	0.8
69.20370	2.0
71.01369	0.4
73.02945	1.0
80.16682	0.3
83.05060	0.5
93.03475	2.3
98.67476	0.4
101.02434	0.5
102.79314	0.4
111.00869	1.3
111.08163	1.3
125.09743	0.5
127.10364	0.6
127.11308	11.7
128.11662	0.7
128.40302	0.4
129.09256	0.7
145.02972	0.4
155.10828	3.2
155.88823	0.4
171.10275	1.6
173.11839	100.0
174.12189	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	174.017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23681	0.6
53.20409	0.7
59.01380	5.5
61.21758	0.6
61.35418	0.6
66.08914	0.6
69.38850	2.9
69.89271	0.5
71.01379	2.9
72.99323	0.8
87.00892	6.6
95.82420	0.7
96.98180	0.6
98.22639	1.1
104.02695	1.1
115.00384	8.5
117.75611	0.6
122.75018	0.7
126.13454	0.6
132.02187	47.9
132.98233	0.7
141.14987	0.6
144.04579	1.1
146.06139	1.4
160.01672	100.0
164.86835	0.6
174.01730	4.4
174.03107	1.2
174.05620	1.5
174.09215	0.8
175.02502	1.5
175.03996	14.0
179.54578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
54.97801	2.1
59.01386	100.0
60.00585	2.0
68.99825	4.0
69.44777	8.2
71.01389	28.3
72.99318	11.1
73.74090	2.0
75.00875	2.8
85.03004	2.5
87.00880	30.1
91.37391	2.3
93.45234	2.4
96.99327	3.5
100.98811	26.1
115.00382	32.8
119.05067	5.7
124.98836	8.7
127.97532	24.3
132.98203	18.5
142.99931	4.3
146.97008	2.5
147.04518	12.2
148.98599	10.4
160.01700	4.5
174.82811	16.2
174.96585	3.1
174.99310	5.3
175.02496	7.4
175.04004	8.2
176.03494	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	175.0398
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.10185	0.3
57.03443	0.4
59.01381	3.6
59.46822	0.3
63.65870	0.3
69.29255	0.3
69.42119	1.2
71.01397	2.0
86.70802	0.4
87.00882	6.1
104.02696	1.5
115.00392	6.3
119.05077	0.5
132.02185	50.2
132.98180	0.4
133.02527	2.6
140.62291	0.4
142.07642	0.3
147.04463	1.0
154.09081	0.3
156.54880	0.4
160.01674	100.0
161.02028	5.2
175.02481	1.1
175.03995	13.1
176.04422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03453	0.6
58.31704	0.3
59.01384	19.9
60.67231	0.5
64.17116	0.3
68.99831	0.8
69.03455	0.3
71.01391	2.7
71.37266	0.3
72.99316	0.5
73.02952	0.8
74.92263	0.4
84.74489	0.3
85.02934	0.4
85.06594	22.8
86.06911	0.8
87.00883	100.0
87.04514	6.8
88.01221	1.3
89.03563	0.6
91.05531	0.6
101.02451	5.2
101.03938	0.4
108.08920	0.3
113.06097	16.5
114.06454	0.6
115.00400	3.3
118.96604	0.3
119.05048	4.6
124.98820	0.6
127.61332	0.4
129.03462	1.3
129.05598	1.0
129.09198	0.6
130.04282	0.8
131.07141	1.7
132.98206	4.6
135.04546	0.5
145.02908	0.4
146.03705	0.9
147.04535	10.2
147.05658	0.8
148.04921	0.5
157.05060	1.4
158.03751	0.5
160.01682	1.1
173.02483	0.5
174.03223	1.5
174.82825	1.1
174.88962	0.9
174.99292	1.9
175.02608	0.7
175.04018	7.4
175.06140	23.8
175.09650	1.0
176.03545	1.4
176.06525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
55.96816	0.1
56.29751	0.1
91.09776	0.1
93.03472	0.2
93.68814	0.1
105.03484	0.2
105.53374	0.1
106.04251	1.0
118.02914	0.1
118.04367	0.1
119.01391	0.3
120.02185	0.9
121.03001	0.1
123.01154	0.1
123.04511	0.2
131.05090	0.1
133.02988	1.2
133.06613	8.3
134.03763	5.4
134.06952	0.4
135.04083	0.2
135.08060	0.1
149.06119	0.2
161.02470	1.7
161.03720	0.1
162.03242	100.0
163.03584	5.2
166.55286	0.1
177.02032	1.0
177.05589	9.5
177.08987	0.2
178.05968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0559
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.45125	0.3
59.01383	0.5
66.70212	0.3
68.02478	0.3
69.39614	0.6
69.40011	0.9
71.01406	0.4
74.02492	0.5
75.13789	0.3
81.90290	0.3
89.03977	0.4
89.51749	0.3
92.11632	0.3
93.03484	0.9
95.05058	0.6
105.03485	2.4
117.03480	43.5
118.04295	19.7
119.04572	1.0
121.02969	21.6
122.03357	0.9
123.04539	6.9
123.05392	0.6
124.04967	0.4
129.01961	0.3
133.02977	9.6
133.06609	0.5
134.03792	2.2
134.22116	0.3
141.91467	0.3
145.02969	61.3
146.03307	3.0
147.04514	0.7
149.02444	0.7
149.06093	0.4
162.03244	13.1
163.03497	0.5
177.02147	5.5
177.05585	100.0
178.05948	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
69.34625	0.4
69.35007	0.5
79.95688	0.2
119.93745	5.3
120.93821	0.3
134.96104	41.7
135.96185	2.6
136.94023	100.0
137.94098	6.7
138.94467	0.4
150.57619	0.2
151.92735	13.0
152.92793	0.7
164.92860	0.2
176.66484	0.2
178.95084	49.6
179.95168	3.9
186.46713	0.2
196.96185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14387	0.2
50.90849	0.2
51.43906	0.2
51.50269	0.2
56.94270	0.2
70.69682	0.3
83.12134	0.2
89.03983	0.3
91.05540	0.5
106.04305	0.3
107.05033	1.9
117.03472	0.8
134.03763	7.2
135.04539	100.0
136.04861	3.7
158.53802	0.2
179.03511	12.4
180.03833	0.7
189.82062	0.2
195.60143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.72031	0.2
60.66003	0.2
63.17152	0.2
70.69463	0.3
89.03969	0.4
91.05568	0.7
106.04275	0.3
107.05040	2.3
117.03495	0.6
134.03761	7.5
135.04539	100.0
136.04871	4.0
167.79930	0.2
179.03511	12.9
180.03732	0.6
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	L-Fructose
Peak:m/z	Relative Intensity
59.01384	100.0
63.02402	3.1
69.14112	12.2
71.01385	47.0
83.01372	3.9
85.02950	8.4
87.00889	14.5
89.02468	18.0
98.21917	5.4
99.00864	2.7
101.02455	8.9
107.01385	3.9
113.02448	5.8
118.99177	2.7
121.36938	2.1
129.17047	2.2
135.00781	2.3
135.04543	49.2
136.01620	3.5
136.04948	3.1
151.00374	7.7
161.04579	7.3
164.01147	3.3
178.99847	6.1
179.03583	6.8
179.05576	10.2
179.07065	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	179.0562
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
52.98263	0.6
59.01383	19.4
61.02422	0.6
61.67553	0.6
69.03446	0.9
69.09119	1.6
69.09518	2.3
71.01389	8.1
71.05034	3.0
72.99313	6.9
73.02952	7.9
75.00878	100.0
76.01219	1.0
78.95914	0.8
81.03471	5.0
85.02948	3.9
87.00883	14.2
88.01231	0.6
89.02454	3.6
97.02957	2.1
99.00892	9.1
99.04508	1.5
101.02461	1.4
114.33535	0.5
117.01903	1.4
120.92952	0.5
125.02461	4.5
141.01846	0.6
143.03514	7.5
161.04564	13.5
175.80177	0.6
179.05621	61.0
180.05952	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	179.0562
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.79697	0.9
59.01384	28.4
69.03469	1.2
71.01394	14.0
72.99325	1.2
73.02959	2.7
75.00874	10.4
78.95905	5.7
80.96522	24.0
81.03465	1.2
82.19468	0.8
83.01391	1.1
85.02961	4.1
87.00881	18.5
88.01242	1.0
89.02453	4.9
93.03476	1.1
94.02997	1.4
95.01403	1.8
96.90376	0.8
96.96039	1.9
96.96964	2.4
97.02989	1.9
99.00895	7.4
101.02445	3.6
101.87538	0.8
106.04287	1.1
107.01390	1.6
107.05038	3.5
108.02210	1.0
108.04653	1.1
113.02475	1.9
117.01954	3.1
118.99287	2.6
121.02944	1.7
123.04543	2.1
125.02470	3.0
125.27374	1.2
133.02959	1.2
134.03770	6.6
135.04539	100.0
136.04945	3.8
136.07692	2.0
136.94035	2.9
141.01967	2.0
143.03506	1.5
148.04079	3.1
149.02486	1.3
150.03265	1.3
151.00310	1.1
151.03987	1.8
151.07643	5.4
161.04568	9.4
164.01140	1.5
174.37439	0.8
178.94980	1.1
178.96382	1.7
179.01791	1.3
179.03537	15.9
179.05626	18.0
179.07141	3.3
180.06792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
56.39304	0.4
58.96082	0.4
59.01380	10.6
67.60323	0.4
69.03449	0.4
70.34054	0.4
70.95888	0.4
71.01389	6.7
71.05023	3.1
72.99310	5.8
73.02955	5.8
75.00877	100.0
76.01215	1.1
81.03463	7.2
81.80329	0.4
84.02165	0.6
85.02966	1.3
87.00879	11.2
87.04519	0.5
89.02467	1.1
97.02965	1.1
99.00888	18.2
99.04512	2.5
100.01228	0.5
107.05048	0.9
117.02013	0.5
121.03020	0.4
125.02471	0.5
134.03764	2.5
135.04541	36.0
136.04858	1.8
143.03506	11.9
144.03857	0.5
161.04553	4.8
164.01208	0.6
179.03551	4.4
179.05621	41.1
180.05971	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	179.0562
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
59.01381	14.9
69.03477	0.8
69.34734	3.9
71.01391	7.7
71.05021	2.5
72.99309	6.8
73.02951	7.2
74.65543	0.7
75.00877	100.0
76.01213	1.3
81.03456	5.9
85.02958	1.1
87.00883	12.0
89.02477	1.2
90.19840	0.8
98.21906	1.9
99.00887	17.4
99.04518	3.2
101.07764	0.7
107.01406	1.0
117.21337	0.9
125.02386	0.9
134.03749	1.9
135.04546	28.1
136.04886	1.0
143.03513	12.6
149.02470	3.4
161.04602	7.2
161.27501	0.8
164.04816	2.3
166.38240	0.8
179.03528	3.9
179.05623	44.0
179.10788	3.7
180.05910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0668
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.26793	0.4
58.67179	0.3
59.01384	2.8
63.86396	0.4
64.68432	0.3
65.03968	0.4
67.03012	0.5
68.99809	0.4
69.03452	0.3
71.01389	2.5
72.00913	38.4
73.01263	0.5
73.02957	1.1
74.02480	5.9
76.19353	0.4
78.95909	3.8
79.95755	0.4
85.03000	0.5
87.00883	0.9
88.24710	0.4
89.02454	1.2
93.03465	42.0
94.02991	0.9
94.03830	0.6
97.02990	0.5
100.67774	0.4
101.02473	1.9
106.04247	4.2
107.05045	4.0
108.02139	0.6
109.02972	1.0
110.02508	0.4
115.67041	0.4
119.05038	88.7
120.04577	0.7
120.05368	4.0
120.93818	0.4
121.02979	0.7
134.06133	3.7
135.04515	0.8
135.96193	2.2
136.07689	2.8
136.94031	2.4
136.95737	1.0
137.02446	4.9
137.94093	12.6
138.03232	0.5
138.05609	0.4
138.93727	7.9
151.02718	0.4
152.92796	2.0
153.92426	0.6
162.05653	2.4
163.04024	96.6
163.59166	0.5
164.04346	4.6
166.02682	0.9
179.95154	7.6
180.06673	100.0
180.94780	3.5
181.01477	2.3
181.05338	0.7
181.07088	6.2
182.06190	0.4
183.47348	0.4
190.95857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90621	4.3
55.01882	9.1
57.03458	5.1
59.01385	5.0
65.63383	4.2
67.01917	9.5
68.78082	4.2
68.99823	19.5
69.03458	57.1
69.38297	24.0
71.01382	48.9
74.95792	4.6
80.28580	4.7
81.03456	11.8
83.01400	8.0
83.05029	10.7
84.02164	5.1
91.05514	4.7
93.03449	21.8
95.01408	5.5
95.05029	11.0
97.02959	100.0
97.06583	12.7
107.05042	60.0
108.02189	6.4
109.02943	24.2
109.06605	10.0
110.03722	5.0
111.04521	16.1
112.01668	25.2
119.05016	6.6
121.02964	10.2
122.03729	5.4
123.04533	26.4
124.01686	11.8
124.05320	7.0
125.02520	6.2
125.06108	75.1
135.04529	76.2
136.04875	5.6
137.02460	42.0
137.06027	5.5
138.03281	25.3
152.04784	8.1
153.05612	72.3
163.03975	18.1
166.02773	5.5
181.05081	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01138	0.4
59.01354	0.4
65.00340	0.6
67.01890	2.3
67.04970	0.3
67.55317	0.3
68.99817	0.3
69.03445	0.3
71.01379	0.3
73.02933	0.3
79.95755	0.3
82.03790	0.6
84.94574	0.3
89.09477	0.3
94.03803	0.4
95.01395	50.2
95.99252	0.3
96.01721	1.5
97.02965	0.9
102.02732	0.4
107.01289	0.3
108.02181	0.4
109.02982	1.4
111.00937	0.5
123.00898	100.0
124.01232	2.1
137.02451	1.6
138.02757	3.1
156.03848	0.9
160.00426	0.3
166.99870	46.4
168.00589	2.6
177.75697	0.3
181.01451	1.7
182.02229	13.6
182.07494	0.5
183.02763	1.0
183.10291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0222
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
57.36029	0.2
59.01377	0.3
65.68690	0.2
66.24190	0.3
67.01889	2.6
68.99848	0.3
69.03461	0.3
79.01907	0.6
82.03794	0.4
83.01402	0.5
85.03006	0.3
95.01397	47.0
96.01735	1.2
97.02956	0.9
101.66217	0.2
109.02967	1.1
111.00920	1.5
123.00900	100.0
124.01165	3.3
127.00381	1.0
135.04549	0.5
136.04881	5.0
136.98808	0.8
137.02438	1.6
137.05069	1.1
138.02818	2.2
138.05313	5.3
139.00381	1.2
141.01968	0.8
153.01892	0.4
154.02724	0.4
156.03894	0.4
166.99875	42.2
168.00323	1.7
181.01421	1.3
182.02226	10.7
182.04294	2.1
183.02670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82746	0.7
68.99819	2.3
70.20551	2.2
71.01388	27.0
80.02692	3.0
81.03447	1.5
83.05036	60.5
84.05368	1.4
93.03467	16.0
95.05028	7.5
99.00891	100.0
100.01205	2.6
108.23768	1.1
111.04549	9.5
119.05039	6.4
121.02970	39.9
121.06589	1.5
122.03806	4.9
123.04537	2.3
124.01641	2.3
137.05115	1.3
137.06100	16.8
138.06487	1.2
139.04030	87.4
140.04333	3.1
150.03230	1.1
165.05594	7.4
167.99345	1.1
168.00600	1.5
183.06624	3.2
183.10245	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	183.0663
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
50.20597	1.6
58.48888	1.2
59.54338	1.4
63.82759	1.4
65.03973	1.7
68.99802	2.2
70.57347	2.1
71.01389	42.2
73.89508	1.5
81.03454	1.9
83.05038	56.1
93.03468	19.7
95.05029	10.6
97.02943	3.4
99.00890	100.0
100.01208	2.3
107.05058	3.0
111.04547	4.3
119.05026	8.6
121.02966	64.8
121.06599	1.6
122.03777	17.2
123.04552	2.6
124.01712	2.1
137.05098	3.0
137.06091	27.2
139.04024	46.7
139.07632	2.7
140.04349	3.2
147.04581	3.0
149.02437	2.1
150.03166	2.2
165.05585	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	183.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	38.2
59.01381	9.7
69.03458	22.1
70.91607	4.0
71.01385	15.1
77.08363	3.4
77.73131	3.2
80.21953	3.3
81.03461	36.4
83.05023	16.6
85.02956	18.9
93.03474	10.4
95.01386	7.8
95.05042	22.0
97.02962	100.0
99.00895	33.1
99.04536	13.8
107.01459	4.0
107.05065	5.1
111.04514	8.8
119.05030	9.3
119.49048	3.1
121.02976	28.5
121.06535	4.3
122.03733	12.0
123.04515	28.4
124.01676	12.7
125.02456	91.4
135.04602	4.4
137.06079	20.3
139.00421	4.5
139.04027	33.0
147.04524	6.6
150.03241	4.1
165.05577	36.1
167.99298	4.9
168.00603	12.5
183.06665	7.6
192.29446	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	183.0662
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
51.21301	3.1
57.03418	3.1
65.00323	3.2
67.01894	3.7
68.99824	100.0
69.03471	16.1
71.01390	7.5
83.05014	3.9
85.02962	47.6
95.01414	8.0
95.05035	48.5
95.48486	3.3
97.02962	28.3
98.03751	6.2
107.01390	3.7
111.04517	28.0
113.06119	16.5
119.05048	5.2
121.02961	5.6
121.06608	71.8
122.06946	3.3
123.00903	3.7
123.04530	6.8
124.01765	21.0
124.89053	3.6
125.02470	10.2
137.06105	10.9
139.00381	3.3
139.04004	31.5
150.03275	4.5
164.98422	5.1
165.05566	19.8
168.00610	10.0
183.02911	3.7
183.10280	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	183.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	3.8
62.36840	4.7
68.99445	6.6
68.99819	100.0
69.03468	9.0
70.69170	6.4
71.01370	7.4
83.05016	11.7
85.02961	54.6
93.03451	5.3
95.05030	56.4
97.02953	31.3
98.03713	8.5
100.08457	4.3
108.02209	6.6
111.04514	23.4
113.06083	18.3
119.05076	6.9
121.02979	9.5
121.06596	70.0
122.03732	7.8
123.04478	7.9
124.01711	28.6
125.02413	10.2
137.02449	17.5
137.06100	8.6
139.04028	46.5
139.07671	5.2
150.03285	7.0
165.01929	38.9
165.05595	26.3
167.99382	6.9
168.00610	9.1
183.10222	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	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48199	1.5
57.03466	2.7
57.87111	1.3
59.01376	2.9
59.98524	2.7
66.88548	1.4
69.03458	3.4
69.64136	4.2
73.02949	2.5
83.05022	6.1
85.84880	1.4
92.98009	1.3
95.15063	1.4
98.03742	6.3
99.04531	8.1
100.19772	1.3
113.02452	4.3
121.10310	1.6
124.01731	2.0
137.09766	3.7
139.11313	3.5
149.18648	1.5
153.09265	7.0
165.09239	15.1
183.10284	100.0
184.10620	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	183.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64199	4.0
57.03451	44.6
69.03464	100.0
69.21443	19.8
71.05023	34.4
83.05050	4.7
84.69148	4.0
85.06622	5.0
98.21965	9.2
100.12352	4.1
111.08156	30.7
113.06067	12.3
123.08205	11.6
128.92998	4.6
139.11285	33.6
143.21683	4.0
183.10254	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54575	1.1
57.03439	1.3
59.98528	1.5
60.53253	1.0
70.30037	1.0
71.01398	1.1
72.69845	1.0
73.02937	3.5
83.05030	3.1
84.32400	1.2
85.02957	1.4
87.89073	1.1
97.60596	1.0
98.03740	2.4
99.04539	1.2
106.62491	1.0
107.08649	1.5
111.00885	1.7
121.10258	2.4
123.08154	1.2
124.01741	1.2
137.09764	1.6
139.11339	1.7
147.08200	1.2
153.09236	9.7
165.01939	2.9
165.09221	22.5
166.09569	1.2
166.87233	1.2
167.99362	4.0
168.00687	2.1
183.10280	100.0
184.10599	4.2
193.41946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03451	4.5
59.98521	2.2
61.74633	1.4
65.03989	1.4
69.27689	7.0
71.05022	4.9
83.05022	11.4
98.03761	9.9
98.89454	1.5
99.04535	18.9
105.99236	1.6
121.10235	3.1
137.09708	9.2
139.11308	17.5
165.09204	4.6
174.34586	1.6
183.10280	100.0
184.10606	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	183.1028
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03439	1.1
58.77091	1.0
59.98509	1.8
61.28441	1.1
69.31358	4.8
71.01353	1.2
73.02951	2.8
83.05019	3.0
97.02956	1.1
98.03745	2.6
107.08698	1.4
113.02383	1.0
114.57124	1.0
119.11966	1.0
121.10249	2.2
124.01624	1.2
135.08128	1.4
137.09763	1.3
139.00449	1.1
139.11305	3.6
153.09227	11.8
165.09222	21.3
167.99384	1.2
183.10275	100.0
184.10648	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.30516	0.4
69.42657	2.0
183.04520	4.7
183.13911	100.0
184.14229	5.0
188.35500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.79178	0.3
69.24118	1.7
81.82420	0.3
85.95098	0.3
98.22639	0.7
103.76831	0.3
138.80812	0.3
167.99426	0.5
183.00529	0.4
183.13908	100.0
184.14258	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	183.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04603	0.4
52.24298	0.5
61.99942	0.4
66.49800	0.5
69.24567	1.4
69.24970	1.2
98.21830	1.0
115.45156	0.5
183.13908	100.0
184.14229	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.5
69.43233	18.3
73.18323	3.8
103.64755	4.0
131.16902	4.5
140.02065	43.4
142.00005	12.6
184.01022	100.0
185.01187	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	184.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32282	4.1
56.56217	4.6
59.01394	21.8
59.01651	4.6
59.28164	3.9
66.38921	4.7
69.22510	21.7
69.22907	10.2
71.01386	7.0
76.25074	4.0
140.02057	54.4
141.04018	5.4
141.99968	20.4
175.32880	4.5
184.01021	100.0
184.06194	5.0
185.01347	7.8
185.03104	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	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
57.03430	0.5
59.01373	2.0
69.03178	3.0
69.03521	2.6
73.02910	0.4
78.95935	0.5
79.28787	0.4
79.79510	0.4
80.02690	0.7
81.03451	0.7
81.07098	0.8
83.05049	1.6
83.23763	0.4
95.05033	1.3
98.21905	1.1
105.07095	0.6
113.09717	0.7
121.06613	3.8
123.08175	50.4
124.08509	2.1
141.09227	57.7
142.06592	0.7
142.09557	1.7
157.55305	0.5
167.07147	12.1
168.07507	1.0
185.08200	100.0
185.11757	2.1
186.08516	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	185.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27741	0.7
59.01381	1.7
69.03446	2.8
70.54082	0.7
79.95757	3.8
80.02655	0.8
83.05035	1.9
92.79276	0.9
95.05008	1.6
105.07120	0.9
109.38357	0.9
110.98532	1.0
113.02434	1.2
119.93432	0.8
121.06618	6.1
121.43945	0.7
123.08176	57.1
124.08485	2.0
141.09232	58.6
142.06575	2.3
142.09555	2.8
162.75563	1.0
167.07155	13.1
185.02795	10.2
185.08205	100.0
185.11771	3.6
186.08549	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	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
56.53864	0.9
59.01373	2.7
69.03455	3.9
69.40805	2.4
69.41201	1.8
71.01370	1.1
81.07097	0.8
83.05039	1.1
95.05022	1.8
100.85821	0.8
105.07095	1.3
111.08150	0.8
113.09742	1.0
114.05482	0.9
121.06618	4.9
123.08176	59.2
124.08504	1.3
127.11333	1.6
137.09671	0.9
141.09233	62.2
142.09555	2.3
155.10687	1.0
157.12454	0.9
160.65170	0.9
167.07144	15.1
185.08215	100.0
186.08545	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.22366	0.7
50.69128	0.7
52.03543	0.8
59.16970	0.8
61.22393	0.8
65.85058	0.9
67.30512	0.9
68.03082	1.0
69.03462	3.8
70.13757	1.1
70.14075	1.8
98.21954	1.3
132.12660	0.9
139.11305	12.1
141.12791	1.1
155.78108	0.8
185.11844	100.0
186.12230	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	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
69.03463	5.1
69.62546	2.1
69.62863	0.7
75.18201	0.6
80.04183	0.6
92.03355	0.6
98.21983	1.3
113.65520	0.8
123.17587	0.6
139.11296	11.0
139.57439	0.7
185.02249	0.7
185.11847	100.0
186.12175	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	185.1185
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.13693	0.3
59.01374	0.7
59.91870	0.4
65.85219	0.3
69.03462	5.8
76.24242	0.4
139.11298	10.0
140.11623	0.6
141.09229	0.5
141.12813	0.5
143.05026	0.9
145.02968	0.5
185.11839	100.0
186.12183	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	185.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.4
59.01373	3.7
66.56804	2.1
67.10284	2.4
80.85461	2.2
93.12563	2.5
97.95373	2.3
98.22614	7.1
109.06601	5.6
123.08149	2.3
139.11301	10.3
141.09210	4.7
141.12914	7.7
143.05035	4.8
145.02884	3.2
185.11858	100.0
185.15353	3.2
186.12196	4.4
196.45071	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	185.1185
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01384	26.4
69.03465	0.7
71.01395	3.5
71.05023	6.3
72.66793	0.7
78.04737	0.6
85.40117	0.7
97.06596	1.0
108.46196	0.6
109.02869	0.6
111.08188	1.4
113.06018	0.7
115.04021	82.4
116.04372	1.7
139.11304	2.5
141.09224	0.8
141.12881	1.7
143.05003	3.8
145.02966	2.1
167.10785	11.3
183.10347	1.9
185.11845	100.0
186.12102	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	186.0561
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
52.74829	0.2
55.27884	0.1
57.98116	0.1
58.30318	0.1
59.01381	0.3
69.34277	0.6
71.43139	0.1
90.68450	0.1
90.97141	0.2
98.22628	0.3
99.00832	0.2
100.55226	0.1
116.05087	1.7
117.25977	0.1
124.98851	0.2
125.09748	0.5
136.09898	0.1
140.05104	0.4
142.06636	100.0
143.05186	0.3
143.06982	4.6
154.39069	0.2
158.06131	0.3
159.04539	0.2
186.03217	0.5
186.05588	1.8
187.04004	1.1
187.09801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49199	0.5
59.01385	82.4
61.98836	15.8
69.61243	2.2
101.00993	0.6
101.79020	0.5
114.98946	0.5
115.02540	4.5
117.00447	10.1
118.00535	0.7
125.09747	3.9
127.87046	7.4
141.00473	0.8
141.49406	0.7
141.86842	13.1
142.89384	15.9
142.99510	0.8
143.01991	2.1
144.97365	0.6
144.99969	1.5
159.01514	100.0
159.85965	1.4
159.87917	4.5
160.01634	6.9
184.82689	0.5
186.88387	3.4
186.98523	0.9
187.01036	10.1
187.09775	1.6
187.13402	0.5
188.00604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
55.01867	0.8
56.57137	0.6
57.00225	0.6
59.01384	7.1
66.12161	0.6
66.99007	0.7
68.99815	0.7
71.01382	1.4
71.05032	0.9
71.37564	0.9
73.04063	1.0
78.95918	1.0
81.07114	2.1
82.00602	0.7
83.01391	2.1
86.83083	0.7
90.97146	3.7
95.05028	1.6
97.06593	1.9
99.00887	10.0
99.08153	2.1
111.00848	0.7
113.02521	0.8
113.06092	7.2
115.04035	1.5
125.02454	0.8
125.06096	7.2
125.09729	6.2
127.00452	1.2
130.08774	3.8
131.05037	0.8
132.98216	2.4
138.95908	0.7
139.04025	12.1
141.05571	1.5
143.07156	100.0
143.11914	2.9
144.07483	3.8
159.01552	1.6
159.03270	0.9
159.04514	4.5
169.05083	99.1
170.05421	3.5
172.05316	0.7
186.03220	2.2
186.95616	2.2
187.02492	1.4
187.04037	12.3
187.06133	27.6
187.09668	2.0
187.11070	1.1
187.13454	1.2
188.06549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0766
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
59.01379	0.3
60.32756	0.2
61.98830	0.5
69.22665	0.9
79.60186	0.2
98.22610	0.4
123.08208	0.2
125.09739	1.2
141.86836	0.6
143.05013	0.2
144.05814	0.4
150.58955	0.2
159.08167	0.3
160.94684	0.2
168.39503	0.2
171.80670	0.2
172.05312	35.8
173.05634	1.7
187.07652	100.0
187.39894	0.2
188.07996	6.1
204.04279	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	187.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61689	0.4
57.02172	0.4
57.03455	5.3
57.84455	0.4
59.01385	0.4
69.03445	0.5
69.32430	0.8
69.32846	1.5
83.05040	0.8
95.05042	0.7
97.06597	13.7
98.06931	0.5
105.75677	0.4
110.00807	0.4
116.39423	0.4
123.08194	6.1
125.09735	100.0
126.10083	4.1
143.05070	0.5
143.10765	1.8
154.95993	0.4
160.26414	0.4
169.08664	2.2
187.09770	38.6
188.10144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.41287	0.4
57.03453	3.7
65.68948	0.4
69.29321	1.4
69.29705	0.9
71.05014	0.6
83.05066	0.8
87.07566	0.4
95.05048	0.6
97.05994	0.7
97.06604	11.7
123.08192	7.1
125.09735	100.0
126.10049	3.9
143.10765	1.7
169.08716	2.0
187.09775	38.9
188.10107	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	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
56.23700	0.3
57.03452	4.7
57.71406	0.3
69.03452	0.6
69.36520	1.5
78.74253	0.3
80.02732	0.3
83.05025	0.3
95.05058	0.7
97.06599	12.1
98.06934	0.4
105.24875	0.4
123.08187	6.2
123.09023	0.6
124.08504	0.5
125.09734	100.0
126.10075	4.0
132.33398	0.3
141.97826	0.3
143.10759	1.5
162.32664	0.3
169.08702	2.1
187.09772	39.7
188.10132	1.5
197.21739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
98.22723	0.3
111.26650	0.2
125.09766	0.2
135.46117	0.2
139.11258	0.3
141.12880	2.8
159.60948	0.1
169.12334	1.0
185.11848	1.5
187.13422	100.0
188.13757	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	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03451	0.4
59.01386	2.3
60.64074	0.3
70.33913	0.8
70.34293	0.4
75.69875	0.3
97.06591	1.1
99.08171	0.9
110.93607	0.3
111.08175	0.5
112.70907	0.3
123.08195	0.5
125.09747	9.5
141.12869	3.0
145.08752	2.2
169.08694	0.3
169.12390	1.0
185.11794	1.5
187.09940	4.0
187.13414	100.0
188.13756	5.2
194.80598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.0
59.01376	1.0
61.21156	0.6
65.56359	0.6
67.01872	3.1
70.83121	0.6
85.02959	32.9
86.03282	0.8
87.00883	49.9
88.01240	0.8
101.02470	0.7
106.10720	0.7
111.00889	100.0
112.01213	3.0
118.06591	0.6
129.01959	5.3
138.48164	0.6
147.03003	0.8
148.94971	0.9
154.99924	0.8
166.14635	0.7
173.00929	2.1
191.02003	10.6
191.05627	5.2
198.84442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.07907	0.3
57.03452	6.7
59.01372	1.0
67.01887	4.1
69.53930	0.5
69.54319	0.8
70.71269	0.3
72.96219	0.4
73.02923	0.4
78.73663	0.3
85.02958	34.9
86.03295	0.6
87.00883	50.0
88.01274	0.4
91.64388	0.3
93.03467	1.3
101.02477	0.3
103.04020	0.4
111.00891	100.0
112.01231	2.3
125.06698	0.3
127.04024	0.9
129.01952	4.7
130.99863	0.6
147.02928	0.4
154.99886	0.8
173.00935	1.5
173.04498	0.6
191.01993	8.5
191.05623	17.9
192.05925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.24799	0.2
57.03437	0.4
72.31669	0.3
85.02946	1.3
87.00868	1.4
93.03463	0.3
108.32166	0.2
111.00893	2.5
118.99325	0.9
119.05029	1.2
121.02969	100.0
122.03302	3.5
145.86276	0.4
147.04527	6.7
156.05145	0.3
163.04037	0.4
176.01146	0.5
190.97792	0.3
191.03525	6.3
191.05589	2.1
191.10930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03453	2.7
59.01387	4.0
65.35754	0.3
67.01894	1.4
69.03459	0.6
69.08874	1.9
69.09280	0.6
71.01395	2.0
72.09032	0.3
73.02947	1.0
81.03465	1.2
83.05045	0.9
85.02959	38.3
85.27475	0.3
86.03316	0.4
87.00887	20.3
88.01234	0.4
93.03461	7.7
94.03831	0.3
96.02150	0.4
99.04516	0.7
101.02450	0.3
109.02966	2.1
111.00893	29.7
111.04513	2.2
112.01209	0.8
118.99295	0.5
127.04038	6.1
129.01976	1.8
130.60078	0.3
137.02452	0.3
141.71860	0.3
147.04524	0.6
147.33762	0.3
156.34990	0.3
171.03036	1.6
173.00980	0.6
173.04581	1.9
176.01166	0.4
180.34706	0.3
191.02150	3.5
191.05638	100.0
192.05945	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01380	4.3
67.01891	1.6
69.03468	0.6
69.58206	1.2
70.93808	0.3
71.01385	2.2
73.02944	0.8
81.03446	1.0
83.05030	1.1
85.02955	23.4
86.36360	0.3
87.00877	5.2
93.03470	7.5
99.04526	0.9
109.02961	1.8
111.00875	2.6
111.04530	2.4
127.04024	5.3
137.02460	0.3
162.02963	0.3
171.03055	1.5
173.04543	2.5
191.05620	100.0
192.06007	3.1
202.94978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.18527	0.3
55.01871	0.8
57.03455	4.9
59.01382	6.0
67.01901	1.6
68.59177	0.4
69.03451	0.6
69.13238	1.3
69.13642	0.8
71.01395	3.3
71.52311	0.3
73.02960	1.2
75.00891	1.0
78.71439	0.4
81.03474	1.4
83.01411	0.6
83.05024	1.4
84.02161	1.0
85.02959	53.5
86.03292	1.0
87.00883	10.2
93.03465	7.7
93.73002	0.4
95.01414	0.3
99.04536	0.9
101.02456	0.4
103.00385	0.5
108.02177	0.4
109.02979	1.8
111.00890	14.5
111.04510	2.5
112.01247	0.6
125.02501	0.4
127.04032	4.7
127.92645	0.3
128.94948	0.3
129.01932	1.2
171.03065	1.7
173.00957	0.5
173.04573	2.4
175.78511	0.3
176.01108	0.4
191.02121	3.7
191.05624	100.0
192.05960	3.9
202.10181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.043
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
59.01361	0.6
66.17583	0.3
66.23705	0.3
69.46150	1.6
71.01373	0.6
77.03979	2.2
79.77099	0.4
88.32375	0.4
89.03975	0.9
93.03442	0.3
95.05035	4.6
105.03471	24.6
106.03771	0.5
121.02971	5.8
123.04539	1.6
132.02211	0.7
133.02969	100.0
134.03828	5.1
137.02463	1.3
147.04468	0.4
149.02440	5.8
149.06088	0.8
150.94824	0.7
151.04016	1.2
160.01599	0.4
161.02461	3.1
164.04773	5.3
177.01944	23.0
178.02643	1.9
192.04301	58.3
193.05009	10.1
193.08786	0.5
194.76297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1031
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
57.03440	0.6
59.01384	2.6
63.78745	0.4
71.01390	1.7
72.04553	100.0
73.02952	0.8
73.04883	1.2
85.02962	2.0
86.03296	1.2
87.00874	1.6
88.01217	0.9
93.03471	1.3
96.93578	0.4
101.02435	2.2
106.04254	4.4
107.05043	0.7
111.00910	1.1
112.01247	3.8
119.05032	1.5
121.02985	0.8
133.02972	0.5
134.03760	9.7
137.02448	1.4
139.03987	0.8
149.06102	2.4
150.03226	0.6
150.94812	3.1
177.04288	0.6
178.02731	5.9
192.05908	6.0
192.10316	62.6
192.95854	1.3
193.05075	2.1
193.07326	0.9
193.10689	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36420	0.3
57.02523	0.3
59.01382	0.3
70.54782	0.5
71.01394	0.3
89.03981	3.7
93.03495	0.4
101.02445	0.6
106.04261	1.3
111.00916	0.3
117.03477	6.7
121.02955	0.4
129.24179	0.3
133.02966	2.6
134.03754	100.0
135.04088	3.1
137.02467	4.1
139.04013	1.4
149.02522	0.3
149.06096	9.1
150.03209	0.7
178.02727	24.0
179.03072	1.1
186.21501	0.3
193.05070	12.0
194.05443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17381	1.4
71.01406	0.3
89.03975	3.1
106.04263	1.0
108.02139	0.3
117.03472	5.3
118.03750	0.3
121.02966	0.3
133.03008	0.9
134.03757	100.0
135.04085	3.6
137.02493	0.6
139.04025	0.3
149.06102	3.2
152.02246	0.2
178.02724	5.5
193.05101	6.3
194.05418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91036	0.5
63.25502	0.5
69.30663	0.8
69.31071	2.3
93.03462	0.8
106.04247	1.6
117.03446	0.6
117.13823	0.5
121.02977	1.9
133.02968	5.1
134.03754	100.0
135.04089	3.5
137.02455	7.5
137.15880	0.6
139.04051	1.9
141.75508	0.6
149.06090	16.1
150.03244	1.0
161.55815	0.5
172.62187	0.6
178.02728	48.9
179.03040	1.9
193.05078	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
59.04979	0.3
69.03571	2.2
71.01389	0.5
75.54719	0.3
84.72363	0.3
85.02948	0.4
89.03976	3.8
90.03513	0.4
93.03484	0.4
101.02448	0.7
106.04247	1.7
107.05004	0.3
111.00880	0.4
117.03482	6.2
118.03801	0.4
121.02956	1.2
132.83943	0.3
133.02988	2.7
134.03754	100.0
135.04076	3.7
137.02469	4.3
139.04012	2.1
149.02426	0.4
149.06100	8.8
149.09718	0.3
150.03207	0.5
150.94841	0.4
175.55801	0.3
178.02728	22.0
179.03189	0.5
192.95920	0.3
193.01355	0.5
193.05064	13.1
193.08649	0.6
194.05444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0301
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
50.47328	0.3
65.47305	0.4
66.79933	0.4
67.01888	1.3
68.13455	0.3
68.86134	0.3
70.00577	0.4
71.01376	0.6
75.00878	0.8
83.01389	2.1
89.22740	0.4
95.01392	2.9
107.01395	4.1
108.02184	55.5
109.02499	1.1
111.00891	12.5
123.00897	21.5
123.04557	0.5
124.01679	23.1
133.06567	1.9
135.00890	3.2
136.01680	11.5
137.02505	2.2
139.00392	2.7
149.06082	0.4
150.03233	0.6
152.01161	5.4
157.51038	0.4
167.03499	6.3
181.00189	0.8
195.02998	100.0
196.03392	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	195.0512
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03445	4.5
59.01386	25.4
60.08690	0.7
63.69931	0.8
71.01385	11.7
72.25777	0.7
72.99313	4.3
75.00880	100.0
82.29655	0.7
83.01381	1.3
85.02965	10.9
87.00887	12.3
87.04505	0.8
89.02459	8.8
89.10609	0.7
96.96976	1.1
98.22702	1.7
99.00887	13.6
101.02419	2.2
105.01933	3.5
111.00869	2.8
129.01958	31.0
133.71806	0.8
141.01921	1.9
159.03030	8.7
177.04063	4.6
195.05116	55.2
196.05463	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.00119	0.2
55.01875	0.2
59.92930	0.2
61.98828	0.4
64.90237	0.2
69.84251	0.4
99.08153	0.3
109.06596	4.3
111.08170	3.5
122.03751	0.7
125.09732	0.7
125.53212	0.2
135.11761	0.4
138.05922	0.4
138.06868	3.5
139.07614	0.3
150.55582	0.2
151.11304	0.5
152.91719	0.5
158.84702	0.4
160.84233	10.6
167.12996	0.4
167.14421	7.4
179.10791	5.2
179.49355	0.2
180.11562	0.4
194.95480	0.2
195.13914	100.0
195.81113	4.5
196.14252	5.5
196.15988	0.5
206.05258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1393
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01382	5.1
61.98828	3.0
70.27948	1.5
71.01336	0.9
82.98698	0.8
86.15527	0.9
87.84837	0.9
95.05047	0.9
96.96038	0.9
123.00905	2.0
125.02517	0.9
135.00888	1.0
135.82567	1.0
137.02380	0.9
150.03218	3.1
152.91814	7.6
152.94543	1.7
158.84636	1.6
160.84229	66.4
163.04082	0.8
167.90436	1.6
177.12860	3.9
179.86288	0.9
180.02704	1.5
181.00159	2.8
194.90625	1.5
194.92845	3.1
195.04565	1.2
195.06726	1.3
195.13916	100.0
195.81119	13.5
196.14276	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	197.0457
Annotation	Syringic acid
Peak:m/z	Relative Intensity
51.50140	0.7
57.70757	0.8
59.01394	0.9
63.02399	0.9
65.00330	1.5
69.14137	1.6
69.14535	3.2
77.76047	0.7
78.01123	6.2
78.95905	0.7
83.01410	1.8
83.05029	0.7
88.65255	0.7
89.00343	10.3
91.01904	4.7
95.01404	9.5
97.02995	0.8
98.22643	1.7
106.00612	11.8
109.02978	1.9
111.00887	2.5
111.04465	0.7
115.90619	0.7
116.92865	1.2
121.02970	100.0
122.03307	2.2
123.00901	43.9
124.01247	1.3
126.90541	1.2
127.00388	2.9
130.33675	0.7
136.98869	1.6
138.03236	14.9
139.00392	3.0
139.04028	1.3
153.02072	1.6
153.05589	59.4
154.05911	2.1
166.99875	28.6
167.99385	5.3
182.02228	58.0
183.01537	4.7
196.89456	1.6
197.04576	30.5
197.06393	1.6
197.08134	1.3
197.11842	1.6
198.04642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Syringic acid
Peak:m/z	Relative Intensity
50.86484	0.5
52.03079	0.5
55.01858	0.7
63.02382	0.8
67.01907	0.7
69.25911	0.5
71.03902	0.6
71.04259	0.5
78.01107	8.0
78.66362	0.5
83.01389	1.0
89.00344	8.8
91.01901	4.9
95.01402	4.2
106.00613	11.1
111.00874	1.3
121.02966	100.0
122.03318	2.6
123.00891	17.2
123.01767	1.1
127.00394	1.5
136.98776	0.8
138.03230	12.2
139.00391	1.1
141.01970	0.7
153.05586	53.4
154.05910	1.0
166.99860	10.3
182.02223	23.7
197.04562	21.3
217.86270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Syringic acid
Peak:m/z	Relative Intensity
52.50693	0.4
55.01880	0.4
62.01625	0.6
63.02400	1.3
65.00322	0.9
67.01893	0.5
72.84279	0.4
75.70845	0.3
78.01112	6.7
82.02981	1.0
83.01402	0.7
84.04607	0.5
84.50561	0.4
89.00336	9.8
91.01907	5.0
95.01395	4.6
96.18182	0.4
98.22715	0.7
106.00620	11.6
109.02958	0.5
111.00903	1.8
112.77258	0.4
121.02966	100.0
122.03301	2.7
123.00894	22.1
124.01197	0.5
127.00389	1.5
131.40872	0.4
136.98807	1.4
138.03239	12.0
139.00412	1.4
141.01941	0.8
141.10294	0.4
153.05589	56.2
154.05963	1.2
162.01106	0.4
165.02013	0.5
166.99881	11.3
182.02225	24.8
183.02509	1.2
197.04562	23.1
197.06421	0.8
197.12973	3.9
198.04865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Syringic acid
Peak:m/z	Relative Intensity
60.84623	0.6
62.01626	0.7
63.02394	1.7
65.00340	0.8
67.01904	0.7
78.01108	8.7
82.02992	9.9
82.03461	1.0
83.01418	0.8
83.05036	1.0
84.04571	2.4
89.00340	12.2
91.01909	5.0
95.01405	5.7
106.00609	12.0
108.02213	0.6
110.02467	0.6
111.00889	1.2
112.98830	0.9
113.65337	0.6
114.09257	0.8
121.02969	100.0
122.03314	2.5
123.00902	27.2
127.00386	1.0
127.05143	1.4
129.31516	0.7
136.98827	1.1
138.03246	13.0
139.00412	1.4
141.10373	8.0
153.05591	49.5
154.02635	0.8
154.05936	1.7
165.01932	0.9
166.99866	11.8
167.12025	0.8
167.99339	1.4
169.09872	0.8
169.13492	1.7
182.02235	29.5
183.01666	1.1
197.04570	25.1
197.06403	1.2
197.12967	36.6
198.04932	0.7
198.13283	1.4
202.23462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0608
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
58.42757	1.4
59.01384	1.4
64.83648	1.1
65.00320	2.6
69.56860	3.6
72.99294	1.4
79.30009	1.3
81.03460	1.7
89.00360	1.9
95.01398	11.4
107.06138	2.0
112.01674	3.7
115.03983	1.8
121.02967	11.5
123.00898	41.2
125.02502	1.4
126.90533	6.0
137.02480	1.5
138.03246	9.6
138.71222	1.9
152.96001	2.2
153.05618	8.3
153.12828	3.5
158.94234	1.3
160.84219	42.4
161.84285	6.1
162.83926	100.0
166.99875	24.7
167.99374	19.8
169.12326	4.4
178.89084	1.7
178.99852	2.1
182.02232	60.1
183.01689	20.5
196.90358	1.8
197.02156	2.9
197.04536	13.3
197.06114	72.5
197.07979	3.9
197.11859	19.0
197.13541	2.4
197.80812	28.6
198.03938	3.0
198.06439	4.0
218.90302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
55.01871	1.0
59.01381	6.5
71.01362	0.9
73.02950	10.2
78.01120	1.4
89.00344	2.6
95.01398	7.2
98.03743	2.4
104.03763	1.1
104.29807	1.2
106.00610	1.3
107.06167	1.0
121.02970	20.6
123.00900	28.2
135.08182	6.8
138.03233	9.0
153.05635	10.0
153.09222	100.0
154.09570	3.1
166.99857	21.7
167.99382	5.7
174.58469	1.0
181.76758	1.0
182.02234	41.4
183.01770	2.0
197.04556	11.3
197.08192	2.3
197.11964	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.38027	0.4
57.03450	2.8
58.00589	1.4
59.01385	5.6
60.85584	0.4
62.71061	0.5
66.78016	0.4
69.03465	5.5
69.41399	0.7
69.41786	1.4
71.01389	7.2
72.02142	0.6
72.99297	0.9
73.02950	0.9
79.01885	0.4
80.02686	0.9
80.50690	0.4
81.03460	1.0
82.10162	0.4
84.02177	3.3
85.02955	13.5
86.00100	2.5
89.00322	0.5
91.01951	0.5
93.03451	0.7
95.01398	4.1
97.02960	22.2
99.00880	0.6
99.04514	2.2
99.08192	0.6
100.01676	3.1
106.04240	2.2
107.06210	0.5
108.02181	8.2
109.02940	1.0
110.03735	1.2
112.01677	5.0
113.09751	4.5
116.92891	0.5
121.02972	2.7
122.03760	6.4
123.00896	15.0
125.09717	1.7
126.90492	1.1
137.09721	3.5
138.03227	3.7
139.11287	5.4
141.09247	1.5
141.12868	8.8
143.10788	0.9
149.09731	10.3
151.11285	1.5
153.01968	0.6
153.05577	1.9
153.12856	1.1
154.02692	0.5
155.10779	1.8
160.84190	2.4
162.83929	5.6
166.98463	0.7
166.99878	11.2
167.10791	26.6
167.99394	6.3
168.11116	0.9
169.12363	6.4
172.28821	0.4
179.07027	0.5
179.10791	12.6
180.11081	0.5
181.01482	0.6
182.00581	1.0
182.02219	21.0
183.01680	6.7
197.04607	5.8
197.08234	3.2
197.11836	100.0
197.80820	2.4
198.04083	1.5
198.12164	4.0
202.86714	0.4
207.02248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
69.03451	0.5
69.21108	1.8
71.05022	1.0
71.16309	0.4
72.99306	0.5
85.06628	0.5
95.01407	2.0
95.05067	0.6
97.06597	14.0
97.07223	0.8
98.06973	0.5
99.08163	4.3
109.06583	0.6
111.08180	0.6
116.92887	0.4
121.02950	1.8
122.03752	1.8
123.00906	7.1
125.02437	0.4
125.09763	0.9
126.03265	0.7
126.90499	0.9
137.09721	2.2
138.03276	1.8
151.11285	1.1
153.05580	1.0
153.12863	100.0
154.13203	3.6
160.84200	3.8
161.84280	0.5
162.83940	10.1
166.99883	5.4
167.99384	3.3
176.69040	0.4
179.10786	22.2
180.11118	1.1
182.00598	0.7
182.02214	11.3
183.01672	3.8
197.02087	1.1
197.04605	2.1
197.11847	7.3
197.15521	0.9
197.80827	4.5
198.03996	0.5
198.12256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21572	0.8
59.01388	1.2
61.98833	0.8
65.00333	0.8
65.99845	0.6
68.42721	0.7
69.03450	2.2
69.30138	1.8
69.30524	1.4
83.05037	1.5
86.64817	0.7
89.00320	1.2
92.25919	0.6
92.28098	0.6
95.01395	8.5
97.02948	0.9
97.06643	1.1
107.06130	0.9
109.02961	1.5
112.01663	1.3
116.05500	0.6
116.92858	1.0
121.02959	6.5
123.00898	28.6
123.08124	0.7
125.02416	1.1
125.09732	0.7
126.90506	2.2
138.03261	6.6
139.00343	0.7
141.09262	1.3
151.11311	0.9
153.01868	1.2
153.05577	5.8
153.09218	2.8
153.12851	5.2
160.84238	8.9
161.84241	1.0
162.83923	23.4
166.99870	20.1
167.99388	9.9
169.12352	17.9
170.12686	1.0
178.99881	1.0
179.10791	1.8
182.02229	43.6
183.01701	12.1
196.81206	0.8
197.04596	10.8
197.08127	2.2
197.11844	100.0
197.80797	13.5
197.82469	1.3
198.04118	2.1
198.12177	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.78213	0.5
59.01389	0.7
60.47864	0.7
61.98828	0.7
69.03453	3.3
69.32145	2.8
72.89373	0.6
72.99323	0.6
74.23426	0.6
77.17482	0.6
79.55667	0.6
83.05033	0.9
95.01352	1.4
98.21909	1.4
116.92884	1.1
121.02979	0.8
122.84062	0.5
123.00899	4.4
126.69780	0.5
126.90481	1.6
138.03189	0.9
141.09192	1.0
151.11316	1.5
153.05515	1.0
153.09222	1.9
153.12865	4.5
160.84212	9.1
161.84303	1.2
162.83934	27.5
166.99861	4.3
167.99336	3.4
169.12357	18.8
179.10817	1.9
182.02231	7.5
183.01727	3.6
196.85583	0.7
197.04773	1.1
197.11844	100.0
197.80803	12.1
198.04201	1.1
198.12234	3.7
214.24940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98835	1.1
63.49866	0.5
65.00333	0.7
65.32549	0.5
69.03460	2.6
80.50492	0.5
83.05034	1.1
89.00314	0.5
95.01394	2.5
96.38680	0.5
98.21858	1.6
106.00681	0.5
107.06171	0.7
109.03017	0.8
116.92843	0.7
121.02987	2.4
123.00893	13.4
123.04518	0.5
123.88830	0.5
125.02522	0.5
125.09676	0.5
126.90491	2.5
135.04555	0.6
138.03238	3.6
141.09216	1.5
151.11357	0.6
153.01932	0.5
153.05592	2.2
153.09198	1.8
153.12880	4.6
160.84227	14.3
161.84248	1.7
162.83925	38.6
166.99889	9.1
167.99356	7.4
168.00528	0.6
169.12346	17.9
170.12729	0.8
179.10826	2.2
182.02222	19.7
183.01678	7.7
196.81120	1.0
197.02090	1.3
197.04677	3.3
197.11842	100.0
197.80812	23.3
198.04106	1.7
198.12212	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
57.69425	1.5
65.12957	1.7
69.03458	1.7
71.05029	1.9
72.31249	1.4
95.01394	19.9
107.06166	2.9
107.08681	5.3
121.02961	17.7
123.00891	65.6
125.02409	2.2
126.90504	3.4
137.09744	4.5
138.03244	19.0
139.47243	1.7
151.11261	2.1
153.05597	12.6
153.09233	3.8
153.12814	2.0
166.99867	49.6
167.99321	18.5
182.02223	100.0
183.01711	22.2
196.89459	1.8
197.00903	2.0
197.02827	2.8
197.04546	24.1
197.06129	2.2
197.07970	1.9
197.09947	3.9
197.11836	62.4
198.04143	4.4
198.12257	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	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	2.1
57.03451	39.5
59.01368	2.7
63.34828	1.4
69.03453	8.4
71.01388	79.7
71.05011	1.7
71.39751	1.6
73.02943	10.4
74.65688	1.3
76.12961	1.3
83.05032	2.1
85.02938	3.1
86.03725	1.4
95.05016	3.5
97.02963	8.9
99.04487	3.2
101.06094	100.0
102.06424	2.7
107.85609	1.3
109.06580	2.1
111.00888	2.4
111.04532	9.2
113.06095	5.8
123.04531	9.7
125.09613	1.4
127.07668	10.5
127.93199	4.0
131.54871	1.3
137.02461	2.3
137.09741	1.8
141.05595	49.5
142.05949	1.9
151.43390	1.4
153.09152	2.1
155.07140	1.5
155.10725	2.6
157.60306	1.5
171.10251	1.6
174.22475	1.8
181.08690	1.9
184.02161	1.6
190.35507	1.3
199.04100	2.7
199.07800	2.6
199.09756	9.0
199.13354	2.0
199.17099	6.7
200.62500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03452	2.0
59.01367	3.7
68.31268	0.6
69.07249	3.9
70.60780	0.6
73.02960	2.2
75.87073	0.6
81.03467	1.1
83.05035	7.9
85.47815	0.6
86.42059	0.6
92.67915	0.5
92.99840	0.9
96.43437	0.6
109.06612	1.7
111.00919	1.4
113.02389	0.6
121.06614	0.7
127.93183	1.9
135.08162	1.5
137.09727	20.2
137.10794	1.0
151.49786	0.7
154.95534	2.1
155.10794	100.0
156.11118	2.8
181.08754	3.7
184.02113	1.9
187.29916	0.6
199.04404	1.1
199.07896	0.8
199.09761	23.1
199.13435	2.3
199.17049	2.1
200.10107	0.6
210.75102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01884	1.2
55.16331	0.5
57.03451	0.7
58.00592	1.3
59.01382	1.3
60.97554	0.6
64.09096	0.6
67.01900	0.7
69.03462	0.9
71.01388	3.4
71.05019	1.0
73.02957	6.8
74.64812	0.5
76.94192	0.5
83.05050	1.3
84.02187	0.9
85.02958	2.3
86.03732	3.9
95.05028	1.5
97.06586	3.9
97.46999	0.6
97.91614	0.6
98.21860	1.1
99.00885	1.2
99.08160	1.5
101.02451	0.6
103.97012	0.7
111.00858	0.8
112.01705	1.0
112.05312	7.3
115.07639	4.2
125.09735	1.2
126.65076	0.5
127.07658	2.0
127.11287	5.0
127.93148	0.8
129.01959	0.8
130.02730	37.8
135.16383	0.6
137.09732	11.3
137.10687	1.0
142.36531	0.6
153.09219	1.4
155.10791	100.0
156.11128	3.3
168.99794	0.8
181.08737	2.8
182.33653	0.6
197.06398	0.7
199.07990	21.0
199.09784	5.5
199.13397	1.5
199.17023	0.8
200.08383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
58.00595	0.3
59.01368	0.7
67.26824	0.2
69.03448	0.3
73.54329	0.2
78.91904	0.3
83.05038	0.6
92.49927	0.2
97.21423	0.2
127.00365	0.4
137.09740	6.9
138.10118	0.5
140.34027	0.2
145.74306	0.3
155.10794	100.0
156.11111	4.0
169.12395	0.4
181.08672	1.2
199.09793	6.9
199.13434	0.8
199.17046	0.4
210.27228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.30850	0.8
59.01370	1.3
61.98834	2.5
65.00314	0.9
67.01897	3.1
68.99818	2.8
72.02861	1.0
73.32068	0.9
83.01395	2.3
92.99828	4.0
99.00892	5.7
99.08149	1.4
111.00893	7.5
127.00388	7.4
127.93156	4.1
136.98801	1.8
140.66452	1.0
150.55833	1.0
154.94341	1.0
154.95518	3.3
154.99857	2.1
155.10799	1.7
155.14450	1.4
156.89536	1.0
162.83908	7.3
164.83630	7.5
168.99796	1.7
180.97926	1.1
181.12434	1.1
184.02087	2.5
198.98820	2.4
199.13402	100.0
199.80519	5.1
200.01285	1.5
200.13741	3.2
201.39204	1.0
214.95885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.12662	0.2
57.03437	0.5
59.01368	0.4
69.28213	0.2
69.50618	1.3
71.05020	0.6
83.01411	0.3
83.05051	0.5
92.99813	0.3
99.00879	1.5
99.08156	0.4
111.00910	0.6
125.09715	1.7
127.00382	0.7
127.11296	4.2
127.93166	1.5
130.75005	0.3
153.12819	1.4
154.95514	1.2
155.10733	0.8
155.14423	0.9
162.83919	0.9
163.11263	0.8
164.83655	0.8
168.99716	0.3
171.10213	0.3
181.12314	1.1
184.02026	0.5
192.02112	0.3
197.11786	1.7
199.13405	100.0
199.80504	0.8
200.01157	0.3
200.13753	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	199.1342
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
59.01364	1.4
69.03473	0.5
69.09063	0.8
69.09449	2.9
82.51579	0.4
99.00884	1.4
111.00874	0.8
127.00425	0.5
127.93178	1.7
139.50732	0.4
141.12843	0.5
154.95499	0.9
155.10822	1.0
162.83939	0.5
163.11293	1.9
164.83658	0.7
169.12357	7.6
181.12349	23.1
182.12749	0.8
184.02286	0.5
197.11804	2.2
199.13408	100.0
200.13736	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	200.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82732	0.6
55.01884	1.4
57.03460	2.4
59.01387	8.3
69.03461	2.7
69.30914	0.5
69.31219	2.7
71.01382	3.5
71.29642	0.5
72.04554	11.4
72.99335	0.7
73.91242	0.4
74.41454	0.4
83.01400	1.5
83.05040	2.4
85.02956	2.7
94.20069	0.5
97.02962	9.5
99.00894	15.0
100.78808	0.4
113.02452	4.9
120.42203	0.5
123.14060	0.5
126.09250	5.1
128.10832	100.0
129.11107	2.3
139.04033	6.9
154.08754	31.0
155.09085	1.1
156.10307	34.3
157.03822	0.6
157.05080	3.3
157.10629	1.2
165.05595	0.6
192.76610	0.5
196.55182	0.4
200.09297	18.7
201.02515	0.9
201.07741	0.6
201.09552	0.7
205.54716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	0.8
64.32130	0.3
69.26247	0.5
69.26656	0.8
98.22283	1.2
113.04577	0.4
115.02511	0.3
157.03571	5.8
158.03709	0.4
159.01505	1.6
201.02565	10.7
202.02855	0.3
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
53.33316	0.3
57.18608	0.3
59.01384	100.0
60.01720	0.7
62.53126	0.3
71.86021	0.3
83.80459	0.3
98.22291	1.7
113.04604	0.5
115.02436	0.4
132.25955	0.3
157.03583	5.6
159.01529	1.7
178.25870	0.3
201.02567	8.3
202.02611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
59.01382	24.9
66.12995	1.4
68.99799	1.5
69.03464	11.1
69.44327	7.0
71.01385	23.0
72.99326	2.4
79.04689	1.4
81.03477	1.4
83.05018	16.7
85.02950	21.0
93.96919	1.3
95.01408	2.8
95.05031	2.5
97.02956	68.6
99.00888	100.0
111.04539	3.2
113.02460	33.9
121.02958	4.0
125.02448	2.5
137.06097	2.7
139.04024	59.2
140.04362	1.6
140.15596	1.3
157.05063	22.0
158.06111	5.7
165.05580	5.6
174.05679	1.6
183.06700	2.0
201.02548	3.1
201.07741	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.76886	1.3
55.01897	1.2
57.03457	8.1
59.01384	75.5
60.01706	1.2
69.03460	3.7
69.05233	3.1
69.05647	5.4
71.01392	2.1
72.21603	1.2
73.02946	3.9
75.00879	2.6
83.01389	1.6
85.02953	2.9
91.31039	1.1
97.06556	1.3
98.22704	2.2
99.00881	3.2
99.92599	2.7
101.02454	1.6
111.00882	6.5
111.08181	5.4
111.78415	1.2
113.02465	3.0
117.03448	1.5
124.10755	1.2
129.01921	4.7
137.09737	2.6
139.11305	100.0
140.11612	3.5
141.93271	3.4
147.04663	1.0
157.03503	2.0
157.06496	1.6
157.12309	1.9
159.01633	2.1
159.03011	12.5
173.06097	2.1
183.10278	45.7
184.10612	2.4
201.02644	6.9
201.04091	2.1
201.05588	3.6
201.11324	92.6
202.11711	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03436	1.1
59.01386	12.8
61.49575	1.2
69.03458	7.4
70.75112	1.9
71.05019	1.4
73.30933	1.0
85.06590	1.3
87.04536	3.1
107.08686	3.3
107.23971	1.4
109.10201	1.2
110.28987	1.2
122.74870	1.3
127.11236	1.8
133.13843	1.1
137.09714	2.9
139.11282	2.9
155.10730	6.8
157.12306	1.4
159.02931	2.4
171.10286	2.4
183.10278	100.0
184.10631	4.1
193.20319	1.1
201.11337	92.3
202.11713	3.5
215.38264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03439	1.3
58.00587	0.9
59.01385	7.2
62.13148	0.5
69.03472	1.3
69.17950	3.1
71.01392	0.7
72.99317	22.7
73.02955	0.6
76.13103	0.5
81.64069	0.6
83.05055	0.8
84.90639	0.5
86.04456	0.6
103.10960	0.6
107.08667	1.8
109.10242	2.6
111.00883	1.0
121.10251	1.4
125.09739	6.4
127.11265	4.6
137.09718	1.6
139.11320	4.2
155.10789	10.5
159.02982	2.6
165.09207	1.6
171.10252	1.8
183.10271	35.0
184.10612	0.9
199.09749	1.9
201.11336	100.0
202.11667	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	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01385	6.1
69.32830	1.3
69.76050	0.2
71.02426	0.2
73.16077	0.2
73.38326	0.3
75.46037	0.3
77.03667	0.3
99.92602	0.5
101.44476	0.2
102.45880	0.3
111.08037	0.3
139.62959	0.3
141.93288	0.9
155.14429	5.3
157.03535	0.3
164.83629	0.4
173.06088	0.3
183.13940	2.4
199.13396	0.8
201.02440	0.8
201.14980	100.0
202.15295	4.7
210.03841	0.3
210.91843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.051
Annotation	Indolepyruvate
Peak:m/z	Relative Intensity
59.01377	3.8
60.01716	0.3
73.02948	0.4
115.05544	8.1
116.05076	4.9
116.05859	0.4
118.06594	0.2
128.05077	1.7
129.05902	1.1
130.06631	13.1
131.03775	1.5
131.06975	0.3
132.04573	0.6
137.43951	0.2
144.04568	4.2
146.06129	7.3
157.05370	2.1
158.06122	100.0
159.06465	4.5
160.97614	0.3
172.04008	0.3
174.05608	15.8
174.99248	0.4
175.05930	0.6
202.05110	11.3
202.11557	0.5
203.03677	0.2
203.05373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0722
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
51.03871	0.6
56.74355	0.6
59.01383	37.3
60.01715	2.5
61.66456	0.6
69.03464	0.6
70.02979	2.3
70.65326	0.7
71.01383	11.8
86.06123	77.9
87.04521	29.1
87.06460	1.1
88.04047	100.0
89.04370	1.1
96.99323	5.0
97.02964	0.9
97.06581	1.4
99.00882	1.3
99.92596	0.9
111.00878	1.6
112.07688	1.0
114.01991	9.8
115.00388	18.3
115.07654	2.2
123.80684	0.6
126.36170	0.6
132.03020	2.5
140.07169	5.3
141.05550	2.6
141.93587	1.3
158.03706	1.1
158.08235	23.7
159.03337	0.8
174.99216	0.7
184.06151	5.9
185.04581	3.7
202.02731	2.2
202.05299	1.3
202.07210	22.8
203.05563	2.0
203.07428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0723
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
58.02961	0.9
59.01382	30.1
60.01721	2.9
64.05727	0.5
69.03455	6.3
70.02979	2.5
71.01388	17.1
71.40175	0.7
72.99321	0.5
75.00864	0.7
79.01900	1.3
85.02975	1.3
86.06123	75.5
87.00901	1.3
87.04523	28.4
87.06461	1.7
88.04047	100.0
89.04378	1.6
96.99308	6.1
97.02953	8.3
99.00874	0.7
103.92030	1.0
106.94343	0.7
112.07681	0.7
114.01983	10.0
114.09280	0.6
115.00381	20.0
115.07682	0.7
127.05112	0.6
128.07216	0.9
129.02003	0.8
130.94397	1.6
132.03035	2.9
140.07176	5.4
141.01944	2.3
141.05585	0.5
145.06194	1.8
148.95438	1.2
158.03671	1.1
158.08234	23.5
159.03145	0.5
184.06142	4.7
185.98071	0.6
202.02725	2.4
202.07220	26.3
203.01965	6.0
203.07545	0.7
220.93254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.10592	0.7
52.12780	0.7
53.47602	0.7
59.01347	0.8
69.54118	2.3
69.54504	1.6
72.00916	20.5
74.02481	41.3
82.13451	0.7
88.19196	0.8
90.46572	0.9
95.20175	0.7
98.21853	1.4
103.06945	0.8
116.05076	100.0
117.05421	3.1
129.05826	1.6
130.06641	3.2
142.06645	25.9
143.07008	1.2
145.15276	0.8
155.57829	0.8
157.07722	1.2
159.09297	16.6
160.09612	1.2
186.05663	3.7
203.08292	52.1
204.08589	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	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03438	2.1
59.01386	2.9
69.03434	0.6
69.55056	1.0
69.55450	1.1
71.05019	8.2
71.89164	0.4
72.83558	0.4
72.99300	0.6
80.73006	0.4
85.06598	1.1
97.06598	2.8
99.08149	2.3
125.09764	0.5
127.11304	10.4
128.84705	0.4
137.09749	2.3
139.11327	2.0
155.10783	9.6
157.12352	48.2
158.12669	1.6
160.97731	0.4
173.11807	0.6
174.99246	1.6
175.03897	0.6
201.11339	0.9
203.12888	100.0
204.13252	4.0
219.80971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02122	0.9
55.01879	1.6
58.79385	1.0
67.65346	0.9
71.05031	5.8
83.01405	3.7
83.05032	1.3
84.31269	1.0
96.04552	14.3
98.02501	2.1
98.06116	9.3
99.06410	1.2
101.77793	0.9
111.65574	1.1
120.01241	1.9
126.05617	100.0
127.05965	2.4
169.43968	0.9
170.04538	1.9
204.03342	9.3
205.03801	1.1
214.28380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.1
57.03461	4.8
59.01086	4.1
59.01382	98.2
68.99833	13.7
69.13481	14.6
71.01386	99.6
72.99310	41.9
73.02958	13.1
75.00880	44.1
83.01389	15.7
85.02986	7.1
87.00882	47.8
89.02447	9.8
96.99289	9.4
99.00889	42.2
99.53444	2.6
101.02444	9.6
103.00401	3.6
111.00880	20.0
112.98824	13.3
113.72451	3.1
115.00380	100.0
117.01933	13.9
124.98819	17.1
125.02427	6.7
126.94427	3.1
127.00366	11.4
128.46524	3.0
129.01952	16.4
131.04584	3.6
142.99867	24.6
145.01440	14.9
147.03069	3.7
154.99908	16.1
159.08606	3.0
169.12813	2.7
173.00914	5.2
175.02498	10.5
205.03564	4.4
205.09200	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.4
57.03448	6.6
59.01383	94.7
61.01815	6.1
61.98821	5.8
67.64909	4.0
68.99819	7.9
69.83854	11.6
69.86649	3.6
71.01389	79.2
72.99312	62.4
73.02953	13.9
75.00877	46.4
83.01395	20.2
84.50061	3.2
85.02936	8.2
87.00878	37.0
89.02452	19.4
96.99322	7.5
99.00887	48.6
101.02465	10.0
103.00362	6.5
111.00875	23.6
112.98830	31.1
115.00387	100.0
115.01173	8.5
117.01984	11.3
117.43803	3.6
124.98852	13.2
127.00381	16.4
129.01965	24.6
142.99846	23.7
145.01454	17.3
154.99879	17.1
173.00873	6.1
175.02541	9.0
181.72870	3.7
183.94133	4.0
205.06670	5.1
205.16020	14.8
224.25499	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	205.0507
Annotation	Phellodenol B
Peak:m/z	Relative Intensity
55.01867	2.6
57.03460	2.7
59.01387	13.4
61.98816	3.9
65.04047	1.7
68.99817	9.8
71.01390	17.1
71.05010	3.6
71.38075	2.5
72.16564	1.6
72.99308	14.0
75.00886	5.3
79.95752	2.3
83.01377	2.2
85.02963	3.9
85.06577	4.2
87.00894	6.9
89.23882	1.7
93.03448	9.1
95.45039	1.9
99.00899	4.0
106.04227	2.1
107.05016	7.9
109.02946	4.0
111.00874	3.5
115.00401	13.2
115.04018	7.3
115.07660	4.6
117.03455	3.7
119.05092	6.1
121.02962	42.6
121.06594	13.4
122.03738	2.8
124.98852	2.8
125.02430	3.0
130.04231	5.7
131.05037	15.6
133.02989	4.2
133.06601	14.7
134.03752	7.0
135.04517	15.8
142.99953	2.0
143.05034	12.4
145.02991	3.9
145.05070	5.0
146.03737	6.1
147.04523	16.3
148.05289	8.9
149.02414	4.5
149.06088	35.0
158.03748	12.4
159.04517	70.7
160.03745	3.3
160.05045	2.8
161.02492	8.8
161.04396	12.6
161.06010	18.1
162.03226	11.9
163.04002	5.7
175.04016	19.4
176.04781	41.9
177.05569	88.4
187.04019	54.2
187.05812	4.2
188.04512	3.1
190.02742	9.4
203.03499	20.8
205.05080	100.0
205.07050	7.0
205.15961	17.5
206.05280	3.2
206.19527	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02686	1.9
58.02977	34.0
59.01382	1.1
69.81985	2.4
70.02983	13.3
72.00926	6.6
83.46374	0.8
91.05542	21.8
133.02890	1.2
135.04565	4.3
147.04535	39.7
148.04881	1.0
158.94763	1.0
162.09283	1.9
163.04045	1.4
164.07170	100.0
165.07495	3.2
177.01945	1.3
178.96797	0.8
190.99733	0.9
192.04257	2.1
205.69330	0.9
206.08234	31.8
207.08578	1.4
229.85017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0122
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
53.48532	0.3
58.77890	0.3
59.01379	0.2
65.74302	0.3
67.57384	0.3
67.85173	0.3
79.95743	22.0
91.37057	0.3
98.22675	0.7
143.05043	31.9
144.05380	1.2
207.01228	100.0
208.01564	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	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12241	2.1
55.08768	2.0
57.03443	5.8
59.01387	2.5
67.01897	3.4
68.79869	1.9
68.99814	5.3
69.23390	13.0
70.80280	2.2
71.01389	70.4
72.99317	2.6
79.05537	9.2
80.02683	3.1
83.01416	2.0
83.05031	2.9
85.02958	51.5
90.63961	1.9
91.05563	3.8
93.03475	19.1
95.05042	14.0
97.02903	2.2
99.00879	4.9
105.07108	17.8
107.05048	30.9
108.02177	10.0
109.02971	4.3
109.06627	3.3
112.01649	2.4
117.03460	2.0
117.07112	9.2
119.05016	6.1
121.02969	13.7
121.06583	9.0
122.03754	7.1
123.04536	100.0
124.04919	2.9
130.04268	8.5
132.05792	2.1
133.06606	59.3
134.06955	2.6
135.03506	3.5
135.04535	63.6
135.08205	3.0
136.05321	4.4
136.94690	2.3
137.06099	3.5
138.15582	2.1
143.05048	15.8
145.02959	3.9
145.06607	13.4
146.03754	8.4
147.04472	3.5
149.06094	6.0
151.04045	2.3
151.07668	17.2
159.04517	5.1
160.05251	3.4
161.06097	84.4
163.04027	11.3
163.07613	6.6
171.04543	4.4
174.03238	4.0
177.05600	4.6
178.06320	2.1
179.07137	22.5
189.05594	22.0
207.03156	2.3
207.06622	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	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01362	0.3
68.83746	0.3
69.22365	0.6
69.22771	1.3
77.03968	0.7
85.02947	0.4
87.75159	0.4
91.01907	0.6
91.65868	0.3
93.03465	3.2
95.05032	3.9
105.03475	1.4
107.01431	0.7
108.02181	2.4
111.00937	0.3
121.02962	5.3
123.00877	2.6
123.04529	7.4
124.01677	1.3
132.00500	0.4
136.01695	1.2
149.02448	20.7
163.04048	2.1
163.07622	0.3
174.01160	0.3
177.01935	100.0
178.02322	2.7
191.03532	2.5
192.04292	92.4
193.04561	3.1
206.99446	0.4
207.01253	0.8
207.06628	22.7
207.13876	0.3
208.06886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.04081	0.2
56.89354	0.2
61.98840	0.2
64.67050	0.2
69.63738	0.5
69.64137	0.4
75.00870	0.3
77.03968	0.5
85.02902	0.2
91.01871	0.3
95.05018	0.7
95.94161	0.2
98.22730	0.2
105.03464	6.3
114.33987	0.2
119.01386	0.3
123.04514	0.3
132.02190	0.2
133.02966	41.9
134.03291	1.4
147.04550	0.2
148.05273	0.2
149.02457	2.4
151.04012	0.5
160.01689	0.3
160.57594	0.2
164.04817	3.3
175.04013	0.2
177.01938	13.6
177.09332	0.2
178.02269	0.5
192.04295	100.0
193.04620	3.4
207.06642	14.8
207.13916	2.3
208.06955	0.5
214.64091	0.2
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	Ethyl caffeate
Peak:m/z	Relative Intensity
50.09188	0.3
50.63921	0.3
59.01389	2.1
62.60640	0.4
63.81154	0.3
69.55138	1.4
75.00891	0.8
80.02695	0.6
81.03465	0.4
85.02962	0.5
86.50288	0.3
91.01899	0.6
93.03477	0.8
97.02974	0.8
98.22612	0.5
105.28063	0.3
106.04257	0.8
107.05055	1.0
109.02954	0.4
109.06601	4.4
110.03781	0.4
111.00851	0.4
119.01442	0.6
121.02986	1.6
121.06532	0.3
133.02966	18.9
133.28453	0.4
134.03764	20.1
135.04543	54.3
136.04855	0.9
137.02452	7.7
137.09731	0.4
139.04022	2.7
148.01694	0.5
150.03241	0.8
161.02458	27.1
161.09795	0.5
162.02809	1.0
163.11324	3.2
177.01944	0.9
178.02759	2.6
179.03516	29.4
180.03893	1.0
186.83353	0.3
192.04271	0.7
207.06639	100.0
207.10175	3.4
208.02557	0.6
208.06993	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	207.1029
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
59.01392	1.7
70.61111	0.6
71.01392	4.9
72.02169	8.9
72.97519	0.6
73.02949	10.5
73.14164	0.6
75.00858	1.5
85.02969	1.2
90.72579	0.6
92.01498	0.6
101.74456	0.7
107.05065	3.2
107.78348	0.7
120.05833	9.2
121.02942	1.1
121.36695	0.6
123.04500	0.7
131.05035	0.8
133.06607	26.8
135.08173	100.0
136.05301	0.8
136.08501	3.9
145.02994	0.7
145.06625	0.8
147.04543	1.6
147.08174	34.2
151.02229	1.5
152.04779	1.7
161.09747	5.5
163.07654	1.5
163.11392	0.9
177.01953	2.1
177.09196	3.5
189.09227	34.3
190.09561	1.0
192.04256	2.7
205.08694	2.3
207.01199	2.3
207.03102	1.2
207.10274	61.8
208.10696	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	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03451	15.1
59.01382	18.8
64.92011	0.3
68.99838	1.7
69.45766	0.8
69.46152	0.6
70.27946	0.4
71.01385	24.7
72.99310	5.2
73.02935	1.7
75.00877	4.7
82.67191	0.3
83.01385	2.3
84.02161	1.6
85.02954	100.0
86.03298	1.3
87.00877	5.5
89.02454	10.3
99.00886	1.9
101.02439	1.3
103.00356	1.9
106.03530	0.3
111.00892	5.5
112.98845	0.5
114.36318	0.3
115.00385	2.4
118.86045	0.3
129.01953	11.2
133.01436	7.7
136.95767	0.3
141.01952	0.8
142.99905	2.2
145.01363	0.3
147.03026	3.2
159.02977	0.7
172.05186	0.3
173.00932	2.4
191.01994	17.2
209.03036	16.5
209.06619	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	209.0304
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
55.01875	2.0
55.64212	0.6
57.03449	13.9
59.01383	18.1
67.01881	0.6
68.99812	1.7
69.41524	2.5
71.01385	25.4
72.99313	7.1
73.02972	1.1
75.00887	5.0
79.34077	0.5
83.01379	2.2
84.02174	1.6
85.02955	100.0
85.96839	0.5
86.03286	1.8
87.00874	3.1
89.02448	9.6
98.22758	1.0
101.02449	1.3
102.26851	0.7
103.00382	2.0
111.00878	4.4
112.81541	0.6
115.00406	2.1
129.01962	8.4
133.01442	11.0
145.01472	0.6
147.03041	3.1
173.00923	1.7
191.01979	17.5
209.03041	19.1
209.06509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
55.01878	1.7
57.03452	12.5
59.01384	18.3
68.99822	2.3
69.19427	2.0
71.01386	25.8
72.99306	5.8
73.02950	1.5
75.00880	5.1
83.01392	1.5
84.02177	1.5
85.02957	100.0
85.55422	0.4
86.03279	1.1
87.00887	2.7
89.02451	9.1
98.22630	1.0
99.00884	0.6
101.02467	1.3
103.00383	1.7
109.51694	0.4
111.00899	5.2
115.00374	2.6
129.01967	6.4
129.02867	0.8
133.01457	8.7
147.03021	3.4
173.00931	2.0
191.01991	20.5
192.02379	0.5
192.05238	0.5
192.80429	0.5
209.03044	17.4
209.14624	0.4
210.03331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
50.47090	0.3
57.03459	0.7
59.01386	1.5
66.01125	0.4
67.74919	0.3
69.47377	1.0
71.01382	1.1
75.00853	0.4
85.02963	4.2
87.00861	0.4
91.01894	0.9
98.21941	0.6
109.26127	0.3
111.00939	0.3
120.01318	0.5
120.02190	14.9
121.02972	100.0
122.03299	2.6
124.04014	0.4
133.01492	0.4
133.02948	1.5
155.37460	0.3
191.02066	0.8
194.02029	0.4
209.02759	0.5
209.04562	8.1
209.11916	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	209.0457
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.24131	0.3
59.01375	1.5
66.01125	0.3
69.33096	1.7
69.88071	0.3
77.03982	0.3
80.05070	0.5
85.02970	0.5
91.01896	1.1
92.02734	0.4
93.03462	0.7
119.05034	0.5
120.01303	0.5
120.02184	11.0
121.02971	100.0
122.03316	1.5
122.03727	1.0
129.03519	0.4
136.01695	0.6
147.04539	4.2
149.02435	0.8
155.37943	0.3
157.10031	0.3
165.05534	0.4
167.03426	0.5
181.05040	0.4
191.03578	1.2
209.04543	9.8
217.37735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
53.71193	0.7
55.01883	3.3
57.03181	1.7
57.03453	29.6
58.00584	1.4
59.01383	30.5
63.26369	0.7
67.01902	0.8
69.03425	1.0
69.67724	3.0
69.68060	0.8
71.01387	11.8
72.12405	0.9
72.99303	2.0
73.02951	4.7
83.01398	5.1
84.02174	3.4
84.20104	0.8
85.02957	100.0
86.03286	1.5
86.85582	0.8
87.00883	25.7
87.04536	1.0
89.02454	7.0
97.02955	2.0
98.21863	1.7
99.00897	5.7
101.02464	4.0
111.00881	7.5
115.04003	1.1
119.03439	1.0
120.55464	0.9
129.01953	40.2
130.02267	1.3
133.80661	0.8
141.01912	4.0
159.02997	10.2
191.02065	1.7
209.06677	72.2
210.06982	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	209.0668
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
55.01884	3.1
57.03453	18.0
58.00595	0.5
58.03796	0.5
59.01383	22.1
60.29253	0.4
61.30497	0.4
67.21398	0.4
68.99821	1.3
69.35585	1.3
69.35977	0.8
71.01386	22.3
72.99312	4.7
73.02959	2.1
75.00876	3.4
78.95923	0.7
83.01388	4.6
84.02184	3.4
85.02957	100.0
86.03287	1.9
87.00883	12.1
87.04529	0.8
89.02451	8.1
94.02971	0.6
97.02972	0.9
99.00896	2.6
101.02458	1.9
103.00381	1.2
111.00883	6.0
112.98810	0.5
115.00378	1.6
121.02943	2.2
128.07176	0.5
129.01956	22.7
133.01439	7.0
141.01941	1.7
142.99883	1.5
147.03011	2.3
147.04497	0.4
148.43172	0.4
150.03168	0.4
151.02704	0.5
159.03009	3.6
168.01515	0.7
173.00954	1.5
191.01997	12.8
191.05582	0.6
208.98979	0.5
209.03096	11.7
209.06694	34.4
210.07074	0.8
216.78995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.57330	0.4
56.73722	0.5
57.03448	2.4
59.01384	100.0
60.01724	0.6
81.03487	1.1
87.94058	0.5
97.06590	2.8
106.32987	0.5
109.06580	2.9
114.73304	0.5
121.02964	3.7
126.76260	0.4
165.12894	3.7
192.02463	0.5
209.11853	12.9
209.13721	0.8
210.12192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01880	3.9
57.03445	2.7
59.80874	0.5
69.03449	0.9
69.11472	3.2
69.11887	1.2
71.05014	0.9
80.02666	1.1
81.03488	4.4
83.01392	31.8
83.05048	3.7
84.02174	1.7
93.03442	0.7
95.05034	1.8
97.06587	4.5
97.45895	0.6
106.04252	0.7
109.06569	1.0
120.02186	2.1
121.02973	16.4
123.08208	2.8
124.04074	0.8
125.09737	27.2
135.08192	1.5
147.11819	1.9
149.09750	0.7
163.11302	13.7
164.98235	0.7
165.12886	3.5
168.77679	0.6
181.12367	1.5
191.10783	9.5
192.11349	0.6
209.11844	100.0
210.12158	3.7
213.63179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01876	2.8
57.03436	2.7
58.76857	0.7
59.01369	2.4
61.98832	5.7
65.00334	1.4
65.09570	0.6
69.03451	0.9
70.62287	1.2
71.01385	0.9
71.05039	1.0
80.02669	1.1
80.91673	0.6
81.03471	5.4
83.01397	32.0
83.05028	3.6
84.01700	1.0
84.02174	1.9
85.02947	1.0
92.99806	1.7
93.03465	1.4
94.02991	1.3
95.05025	1.7
96.96043	1.8
97.06595	5.8
106.04252	0.9
109.06641	0.9
111.08131	0.8
118.94223	1.8
120.02172	4.4
121.02969	55.3
122.03309	1.3
123.08178	2.8
124.04043	2.1
125.09741	27.5
125.66711	0.6
126.10077	0.9
135.08173	1.9
136.98863	1.4
147.11807	1.1
148.16042	0.9
151.02754	2.4
163.11302	11.1
164.98320	1.3
165.12804	3.8
175.93358	0.7
181.12346	1.9
187.03172	0.7
191.10782	9.0
209.01045	1.1
209.04538	3.9
209.06058	1.5
209.11844	100.0
209.94930	1.3
210.12227	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
52.90840	0.8
57.03449	7.8
58.00591	1.0
58.71832	0.9
59.01373	3.5
61.98835	2.7
65.00330	1.8
69.03468	3.3
70.00590	2.8
71.01385	19.1
71.05014	2.0
73.02956	2.1
74.70872	0.9
76.70579	0.9
80.02679	1.0
81.03469	3.5
83.01409	5.4
83.05054	5.2
84.02162	2.1
85.02958	2.2
86.86887	0.8
92.99815	2.1
93.03471	2.4
95.05040	4.3
96.96024	1.2
97.06591	5.9
107.05019	1.3
109.06600	2.1
111.08170	3.2
112.01699	2.4
118.94213	2.1
120.02173	7.7
121.02964	81.9
122.03293	2.1
123.08148	1.9
124.04055	3.5
125.09725	10.3
135.08263	1.4
136.01660	2.0
136.98836	1.1
137.09673	1.4
145.10178	2.2
147.11856	3.2
149.02388	1.0
149.09691	1.8
151.02708	2.2
151.11298	30.9
153.12851	3.6
161.09732	1.2
163.11304	11.5
164.98320	1.8
165.01909	2.0
165.12852	24.1
166.01459	1.0
166.13235	1.2
167.10683	1.5
172.05290	0.9
173.09705	3.7
179.10832	5.1
181.12350	37.4
182.12642	1.3
191.10773	16.6
209.00954	2.2
209.04491	4.2
209.05869	3.0
209.11841	100.0
210.12152	5.0
219.07057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37938	0.2
66.37142	0.3
67.26433	0.2
76.87147	0.2
81.03464	0.6
89.21465	0.2
94.02984	0.5
96.04562	0.4
97.24012	0.2
121.02969	0.8
122.03316	0.8
124.04053	100.0
125.02457	1.0
125.04406	2.2
142.02168	0.2
183.13921	0.6
210.07793	1.0
210.12154	0.7
211.13385	2.9
211.95427	0.2
224.20299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33419	0.3
65.00335	1.4
69.03464	0.5
73.48757	0.3
74.02483	6.2
81.03455	0.5
85.74976	0.3
93.03487	0.5
94.00615	0.4
94.12214	0.3
95.01422	0.9
97.02956	6.4
109.02952	0.4
113.96162	0.3
119.30405	0.3
122.00124	0.4
123.00910	0.7
123.02772	1.4
125.02450	0.6
125.99641	0.7
137.02429	2.4
137.99586	0.7
152.04823	0.4
153.01950	33.3
153.05536	2.2
154.02299	0.5
165.09225	0.7
167.03523	0.7
181.01442	100.0
182.01758	3.0
183.13948	1.9
188.38069	0.3
192.02704	0.4
193.12419	0.5
195.02992	1.6
196.03784	90.1
197.04129	3.1
211.06126	20.7
211.13419	11.2
212.06467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	1.7
69.30194	3.7
73.27843	0.6
78.01105	0.7
81.03460	7.1
82.00600	3.5
91.01112	0.7
93.03477	3.5
95.01408	2.1
96.14407	0.7
97.02957	3.1
98.00153	1.0
98.22710	1.1
99.00896	0.9
108.02190	1.6
108.18929	0.7
109.02966	8.9
110.00114	2.9
114.10477	0.6
121.02954	2.0
121.06554	0.6
122.00108	4.4
123.00903	2.9
123.04522	3.5
125.02455	7.8
125.99600	13.3
137.02455	50.3
137.06082	1.1
137.99582	7.7
138.02815	1.3
139.00375	0.7
140.01147	1.5
141.01978	6.2
152.03569	0.9
152.04803	19.8
153.02034	5.0
153.05586	100.0
153.99098	6.6
154.05971	2.0
155.03531	10.7
164.13139	0.7
167.07181	1.0
167.10765	1.5
168.04257	4.3
169.01456	2.5
181.01489	1.8
190.06401	0.7
196.03745	5.9
211.06129	32.4
211.13373	0.9
212.06352	1.1
214.89021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Methyl syringate
Peak:m/z	Relative Intensity
59.92356	0.8
65.00322	1.6
65.03980	0.7
67.18531	0.8
69.20614	4.1
79.32343	0.7
81.03461	6.5
82.00620	2.3
93.03477	3.5
95.01414	1.6
97.02970	2.5
108.02209	1.2
109.02959	8.6
110.00091	4.3
121.02927	2.0
122.00119	4.4
123.00899	3.4
123.04527	3.1
125.02443	7.2
125.99603	13.4
137.02460	47.9
137.06079	2.2
137.99619	10.7
138.03104	0.7
139.00490	0.8
140.01175	1.0
141.01947	6.2
152.04802	26.3
153.02072	5.4
153.05589	100.0
153.99086	7.2
154.05949	2.0
155.03529	8.0
167.07161	2.1
168.04274	4.1
169.01424	2.6
180.22702	0.8
181.01439	1.5
182.72902	0.7
183.13959	1.2
196.03783	5.5
208.83235	0.8
211.06125	35.6
211.13399	6.2
212.06555	1.6
212.16542	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78215	0.6
67.58808	0.5
69.03471	1.1
69.66226	2.0
74.84016	0.6
78.94354	0.5
83.05014	0.7
165.12874	0.9
167.10828	0.8
167.14371	1.3
183.13918	15.9
183.15532	0.9
186.89514	0.7
193.12347	4.8
211.13414	100.0
212.13687	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26188	0.5
55.39890	0.4
62.73819	0.5
69.03468	0.7
69.38123	1.9
83.05024	0.7
95.45329	0.4
97.25052	0.4
98.21813	0.5
100.05604	0.5
165.12738	0.6
167.14424	1.4
183.13910	16.2
183.32404	0.5
184.14250	0.5
184.69820	0.4
193.12320	3.6
211.13406	100.0
212.13750	4.1
217.69443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.01662	0.4
60.12947	0.4
69.03476	1.0
69.38887	2.1
98.22643	0.9
145.67339	0.5
155.10715	0.6
157.99608	0.5
165.12828	0.6
167.10748	0.5
167.14406	1.6
183.13902	15.5
184.14259	0.6
193.12317	4.2
211.13408	100.0
212.13725	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.12153	0.3
61.98823	0.8
67.01874	0.4
69.95628	0.7
69.95952	0.4
72.32874	0.3
75.48122	0.3
81.07085	0.9
85.00481	0.6
95.01374	0.6
97.06593	3.7
101.06091	0.6
109.06586	1.0
111.08179	1.8
117.45811	0.3
121.58115	0.3
123.62544	0.3
125.09696	0.9
139.04007	0.7
153.05574	0.8
154.06367	4.4
167.14410	5.4
183.13867	1.8
186.05370	0.7
192.97864	0.3
193.12418	0.4
195.10275	2.4
200.98979	0.4
211.13405	100.0
212.13750	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	213.0559
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
71.04144	0.2
73.97313	0.2
93.03468	100.0
94.03793	2.1
106.53928	0.2
118.08622	0.2
144.15286	0.2
153.40916	0.2
156.41650	0.2
167.04948	0.3
169.06607	14.1
170.06943	0.7
195.14001	0.3
197.99168	0.3
213.05592	9.7
213.14989	2.0
214.05911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03443	0.4
59.01365	0.7
66.66172	0.4
78.41695	0.4
95.05017	1.5
108.05635	0.4
121.06622	1.1
135.08183	1.6
137.09738	17.8
149.09755	0.4
167.14410	1.7
169.12329	1.2
169.39362	0.4
181.08711	1.9
183.13942	5.1
185.11882	0.7
194.99405	0.5
195.13930	16.7
197.99248	1.3
211.13417	1.8
213.01620	0.5
213.14990	100.0
214.15308	3.9
234.49684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.05229	0.2
56.86497	0.2
59.01380	0.3
59.98857	0.2
65.53638	0.3
87.08115	0.3
93.03470	10.9
137.09683	0.6
169.06602	1.9
177.12923	0.4
180.63730	0.3
183.13910	28.2
184.14258	0.7
186.50050	0.2
195.13913	22.8
196.14258	1.1
211.13377	0.5
211.96298	0.2
213.05690	1.3
213.14975	100.0
214.15315	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	213.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86078	0.5
56.65081	0.4
60.51243	0.3
61.53634	0.4
69.75316	1.3
69.75656	0.4
74.59672	0.5
79.62975	0.4
132.30640	0.4
137.83876	0.4
141.12810	0.5
167.14436	1.7
183.13928	5.0
195.13916	15.6
196.14381	0.6
202.42921	0.4
211.13374	1.4
213.14981	100.0
214.15295	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	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
65.79805	0.2
82.08160	0.2
82.32021	0.2
83.05002	0.2
165.12810	0.3
177.12834	0.5
183.13910	31.6
184.14215	1.0
193.59229	0.3
195.13914	27.3
196.14272	1.0
211.13385	0.8
213.14972	100.0
214.15315	3.5
228.74464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.16615	0.7
55.69987	0.7
63.36060	0.7
69.40655	3.3
87.59690	0.8
89.06232	0.7
90.06906	0.7
97.16428	0.8
99.00809	0.8
106.20124	0.7
111.54565	0.8
137.72432	0.8
147.29579	0.7
167.14391	1.9
169.12299	2.8
183.13875	5.8
195.13931	15.7
211.13412	2.2
213.14975	100.0
214.15298	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	215.033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61635	3.8
59.01382	15.1
66.71252	3.1
71.01385	19.6
72.04564	26.8
72.52348	2.9
72.99316	46.5
74.02477	4.5
84.62747	3.7
85.02966	4.0
89.02457	11.0
97.04089	4.7
99.00907	7.7
99.30164	3.8
109.06651	5.0
113.02486	4.6
116.07221	4.6
117.00487	7.4
126.09238	6.8
128.18495	3.4
131.08292	4.3
141.10385	5.7
143.11906	40.3
144.00932	11.4
151.08749	7.4
169.09821	23.5
171.11481	22.4
171.14987	5.5
172.99429	54.3
215.00972	100.0
215.05556	4.8
215.10432	18.6
215.13989	14.8
216.01259	5.1
237.06032	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73551	0.7
58.02977	2.1
58.31959	0.7
72.00913	3.0
72.04530	1.9
74.02474	13.9
82.02985	12.0
84.04553	22.6
86.02470	4.3
89.50330	0.7
97.17469	0.7
105.70729	0.9
128.03554	17.0
128.10837	5.0
140.10815	2.0
141.10336	8.0
142.12366	3.2
142.74390	0.8
143.12708	4.3
154.12367	2.2
167.11935	4.7
168.10341	1.1
169.10646	1.7
169.13480	6.9
171.12202	1.6
171.15024	13.6
195.11493	1.2
197.12962	71.4
198.13316	2.7
215.00952	2.0
215.14011	100.0
216.14339	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	215.1401
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
58.02974	2.3
69.42385	1.1
69.42778	1.9
72.00915	2.9
74.02475	10.9
82.02988	12.6
82.06638	2.2
84.04552	27.0
85.37881	0.6
85.87998	0.7
86.02482	4.6
89.52896	0.6
98.02512	1.0
101.07225	1.4
102.38803	0.6
109.04031	0.7
114.09308	1.2
116.03562	0.8
127.05164	2.2
128.03566	16.6
128.10828	3.5
140.10841	1.6
141.10352	10.5
142.12386	2.0
154.12390	2.7
162.77257	0.7
167.11928	6.3
168.09026	1.1
169.09854	1.4
169.13481	9.4
171.15051	12.4
187.06703	0.8
195.11375	1.5
197.12965	92.7
198.13312	2.9
215.00990	1.2
215.14012	100.0
216.14320	3.0
239.28438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1653
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
53.44398	0.4
55.59364	0.3
65.04382	0.4
85.37495	0.4
97.71143	0.3
127.37947	0.3
133.15312	0.4
144.00928	2.5
169.15994	6.0
197.15514	2.1
213.14999	0.8
215.01016	14.9
215.16537	100.0
216.01282	0.7
216.16893	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	215.1654
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.06525	0.2
59.01329	0.2
69.63363	0.7
74.48807	0.2
98.22614	0.2
144.00923	1.3
167.14479	0.2
169.15976	4.6
171.01930	0.3
174.84026	0.2
180.36668	0.2
190.52812	0.2
197.15494	2.2
213.14987	0.8
214.98904	0.3
215.01018	7.4
215.16528	100.0
216.01335	0.3
216.16875	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	220.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77808	0.2
52.01902	0.7
52.58116	0.2
53.54326	0.2
54.03463	0.3
56.43347	0.2
59.01380	1.2
61.98842	2.1
66.16687	0.2
66.65974	0.2
69.28342	0.7
69.28734	0.4
72.04556	9.6
82.02992	100.0
83.01389	0.4
83.03345	1.3
93.03470	0.3
96.01807	0.2
98.02488	2.6
98.22672	0.4
99.02821	0.3
100.04057	33.4
101.04394	0.3
106.04243	0.7
119.05042	29.6
120.05374	0.8
136.07661	0.7
148.97133	0.2
187.00230	0.2
192.10342	1.3
220.09811	11.7
220.17970	0.3
221.09950	0.2
221.35680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01901	0.6
52.52683	0.3
56.20680	0.3
56.27465	0.3
70.55335	0.6
72.04552	9.4
82.02990	100.0
83.03316	1.0
93.03458	0.3
98.02481	2.4
98.21999	0.3
100.04057	33.7
106.04254	0.7
107.10043	0.3
119.05038	29.0
120.05369	0.9
124.31551	0.3
136.07678	1.0
148.58212	0.3
192.10332	1.5
207.56888	0.3
220.09796	13.3
221.10101	0.4
244.03740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49900	0.2
59.01370	0.3
62.21550	0.2
64.45160	0.2
75.70015	0.2
79.95741	25.3
80.96496	0.2
91.89552	0.2
107.77317	0.2
112.99773	0.2
121.40955	0.3
135.02525	0.2
156.05826	0.7
157.06596	30.2
158.06978	1.0
201.68513	0.2
221.02791	100.0
222.03113	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	221.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
60.12550	0.2
63.91613	0.2
70.64001	0.2
71.01398	0.3
79.95741	25.9
80.96530	0.4
95.08062	0.2
103.37385	0.2
123.44347	0.2
132.60448	0.2
157.06599	33.6
158.06915	1.2
197.98329	0.2
221.02786	100.0
222.03101	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	221.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
69.03461	0.2
69.31445	1.0
71.01386	1.5
73.02953	1.4
79.95740	18.9
80.96543	0.5
83.01408	0.4
85.02961	0.7
87.00881	0.2
89.02463	0.2
98.22579	0.3
101.02452	1.1
113.02448	0.8
129.07150	0.2
131.03552	0.3
133.06665	0.2
156.05814	1.0
157.06598	33.7
158.06949	1.1
177.09259	0.2
178.98546	0.6
194.39349	0.2
220.52158	0.2
221.02782	100.0
221.15448	0.5
222.03107	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	221.0458
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
55.01883	12.6
59.01384	7.3
69.26136	1.8
71.01392	1.4
74.53207	0.4
79.95748	1.5
82.02976	0.6
85.02962	0.9
90.03490	1.1
97.02931	0.6
98.22642	0.6
101.02462	1.0
113.02489	0.6
115.05550	0.9
121.02997	0.7
131.05037	11.2
132.05339	0.4
133.06610	100.0
134.06924	3.2
144.99332	0.4
158.03754	0.5
159.04546	12.3
177.01945	0.5
177.05583	3.7
177.99698	2.5
178.98555	1.3
200.68982	0.3
203.03506	3.7
220.99554	0.4
221.02623	0.6
221.04561	6.3
221.08351	1.4
221.11836	0.9
221.98651	0.8
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
59.01384	100.0
61.54033	1.8
71.01390	21.9
71.40829	2.4
73.02953	29.9
75.00864	2.6
79.95734	2.4
83.01410	6.3
85.02972	10.7
87.00864	2.3
88.49439	2.0
89.02446	6.0
95.01402	2.8
97.24799	2.3
100.92827	2.0
101.02456	21.4
109.83309	2.0
113.02464	19.5
113.46251	2.1
115.69789	2.2
131.03513	4.2
134.03734	2.0
141.72545	1.8
170.21297	2.4
177.12885	3.6
178.98572	9.0
183.25235	1.9
220.99724	5.8
221.02666	11.0
221.04634	3.0
221.06488	2.9
221.11877	6.6
221.15457	3.9
237.67105	2.1
239.08461	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	221.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24824	2.0
57.03441	2.9
58.02967	2.2
59.01385	100.0
59.06880	2.4
61.58573	2.2
61.64994	2.2
69.03465	2.3
69.11662	14.4
71.01385	28.3
71.10910	2.0
72.99332	2.8
73.02957	41.6
75.72830	2.3
79.95741	4.5
83.01382	6.7
85.02956	11.1
89.02461	7.0
101.02451	21.9
113.02463	17.4
133.02986	11.4
134.03751	10.0
137.02417	4.6
145.03021	2.5
149.06038	3.3
157.06612	4.4
161.02470	16.9
162.03201	4.6
177.05589	3.8
193.05057	2.2
196.84761	2.4
216.96069	2.5
221.03000	14.3
221.04538	20.1
221.08182	4.0
221.11789	9.3
221.15514	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	221.1547
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01384	0.6
61.98824	0.1
68.52845	0.1
70.62350	0.1
76.30595	0.1
80.96497	0.1
85.30925	0.1
89.69439	0.1
125.28701	0.1
127.07703	0.4
134.76263	0.1
148.05298	0.5
149.05977	0.5
151.07664	0.2
162.91185	0.1
164.08430	2.4
165.09178	0.3
178.98457	0.1
191.10721	0.1
205.12357	1.6
206.12691	1.1
207.13873	0.4
220.14709	3.7
221.15460	100.0
221.84233	0.1
222.15802	4.5
235.13420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
68.30183	0.3
70.95713	0.4
79.95739	20.4
80.96507	0.3
114.50023	0.3
116.06078	0.3
134.14297	0.3
143.05037	4.5
144.13474	0.3
158.03743	12.2
158.05052	0.6
159.04523	17.8
160.04855	0.5
164.01155	0.5
176.96191	0.3
223.00713	100.0
224.01025	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	223.0281
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
58.72768	0.2
59.01373	0.4
59.96723	1.6
59.99158	0.2
60.93219	0.2
66.26325	0.2
69.17842	1.1
71.01375	0.2
74.52167	0.2
74.99074	16.8
75.96217	0.3
92.99557	0.5
93.00140	8.1
93.22284	0.2
98.21928	0.5
109.04491	0.2
110.40289	0.2
114.48284	0.2
123.00888	0.2
131.94148	0.2
140.44678	0.2
149.00955	12.2
150.98891	0.8
151.04001	0.3
166.06342	0.5
178.99884	0.3
206.99713	6.0
207.99841	0.2
222.15742	0.2
223.02846	100.0
223.13397	1.3
223.20694	0.2
224.02899	4.7
225.00713	0.3
241.04008	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
52.91907	0.2
59.01380	0.5
59.96729	1.7
61.98812	0.2
69.28851	1.0
74.99078	17.8
75.96197	0.2
75.99026	0.2
93.00140	6.3
94.18710	0.2
100.54776	0.2
101.02438	0.3
116.68731	0.2
123.04532	0.2
139.24821	0.2
149.00964	12.9
150.00856	0.2
150.98888	0.8
152.69321	0.2
205.12428	0.2
206.99706	5.2
207.99834	0.4
208.03719	0.2
223.02847	100.0
223.13342	1.5
224.02896	5.1
225.00841	0.2
235.90273	0.2
241.03922	1.5
242.04054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	Eutypellin A
Peak:m/z	Relative Intensity
59.01389	9.7
68.99812	4.9
69.03458	6.4
69.50325	14.5
71.01389	74.5
72.99303	9.7
74.99057	3.3
79.95750	4.3
81.03465	10.5
83.05052	6.4
85.02961	22.6
91.05537	3.9
93.03472	27.9
95.05039	17.0
96.96060	4.2
97.02954	11.8
98.22610	3.9
99.04539	8.1
103.05544	8.8
105.07084	5.0
106.04256	8.8
107.05033	20.6
108.02211	4.8
109.02953	8.2
110.03728	3.1
111.04540	31.1
119.05061	17.9
121.02972	26.3
121.06617	36.7
123.04542	21.3
125.02467	11.6
130.04256	13.1
131.05037	43.1
133.02982	5.5
133.06602	18.4
134.03757	11.3
135.04509	11.7
137.02429	19.1
137.06107	6.5
138.03285	7.8
139.04021	59.4
143.05022	12.3
146.03734	3.2
147.04506	18.2
148.05365	7.3
149.06105	79.6
151.04015	27.2
158.03738	20.8
159.04536	78.1
161.02385	4.9
161.06140	15.2
162.03238	11.5
163.04030	3.6
165.01994	4.2
165.05597	9.1
175.03996	4.9
176.04851	10.5
176.14606	3.3
177.05580	100.0
179.03648	3.8
187.04063	12.2
193.05145	4.6
195.06700	10.5
205.05084	31.6
223.00697	17.8
223.02811	8.6
223.06133	31.7
234.09560	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	223.0613
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
50.27925	0.4
54.62369	0.4
65.00337	0.9
69.38196	1.5
69.38609	0.9
85.54223	0.4
89.03983	1.3
91.05541	1.4
93.03465	7.0
104.02682	1.0
104.27409	0.4
117.03497	1.5
119.05013	0.7
121.02974	37.0
126.58639	0.5
132.02211	2.1
135.04547	4.1
137.09752	0.4
139.62831	0.5
146.64755	0.5
147.04550	5.1
149.02460	100.0
150.02821	2.7
152.01172	2.7
152.02193	0.5
163.04039	7.7
164.04810	56.6
165.01970	4.5
165.05118	2.2
167.03421	0.5
169.05093	0.9
179.07143	5.4
179.10690	0.6
193.01436	21.2
208.03781	25.8
209.04158	0.8
223.06134	23.4
223.13463	0.5
224.06493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
57.03450	1.0
59.01385	100.0
61.98837	1.6
67.01897	23.6
69.03497	0.8
71.01388	28.7
71.05023	12.3
72.01731	0.8
73.02961	3.9
74.99081	1.0
76.21283	0.6
77.60549	0.7
81.03477	1.1
82.50098	0.7
83.05026	1.2
85.02977	1.1
93.03473	4.4
95.05036	38.1
95.79948	0.9
99.08131	0.8
100.81519	0.7
109.06596	1.2
115.87059	0.7
121.02986	0.9
122.03790	1.9
136.05328	6.5
138.65227	0.8
140.22989	0.7
149.00931	0.7
149.06163	1.1
151.04045	2.6
151.07666	31.8
152.07988	1.0
159.32259	0.7
163.07631	1.2
164.89217	0.6
166.06395	3.4
167.75835	0.7
179.10753	1.0
179.14536	0.7
195.13953	3.0
205.08690	6.3
223.02878	6.1
223.09804	53.7
223.13335	31.9
224.10220	1.3
224.13884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03447	2.1
59.01386	7.0
61.98849	1.0
69.03462	8.5
69.42361	2.2
71.01395	1.1
71.05043	2.6
83.05033	1.8
85.06611	1.7
93.03471	0.8
95.01418	0.5
95.05036	1.3
97.06631	0.7
108.05815	0.9
109.06618	2.1
111.08159	0.7
123.08133	0.5
125.09750	1.0
135.11783	1.1
141.09239	1.0
143.16571	0.6
149.09708	1.5
153.09303	0.6
161.13452	1.1
164.04854	0.5
166.06387	0.9
167.10796	13.0
177.12857	2.0
178.99855	0.7
179.10800	4.0
179.14417	11.6
187.11292	0.8
193.12419	0.5
195.13918	32.0
196.14346	1.0
205.12354	23.1
206.12634	0.9
223.02827	2.9
223.13403	100.0
224.13817	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03448	1.6
57.28873	1.3
59.01396	7.1
59.01625	1.3
69.03469	8.5
69.73640	2.5
69.73998	2.8
71.05018	3.2
77.55150	1.2
79.25241	1.2
81.10754	1.2
85.06604	2.0
87.92463	1.3
95.05016	1.5
98.22518	1.6
108.05840	1.5
109.06581	1.5
149.09653	2.3
161.13319	1.2
167.09576	1.7
167.10776	10.0
177.12801	1.9
179.10818	4.5
179.14421	10.6
195.13905	30.2
196.14301	1.6
205.12355	23.3
223.02904	1.8
223.13402	100.0
224.13684	4.2
226.97600	1.3
236.73682	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	225.0593
Annotation	Mortivinacin A
Peak:m/z	Relative Intensity
53.34057	0.2
57.03460	0.2
59.01380	0.4
64.38543	0.2
65.72369	0.2
79.95742	24.0
93.03472	0.5
126.51237	0.2
135.99805	0.2
137.02380	0.4
153.97612	0.2
161.09731	6.1
162.10031	0.2
181.12407	0.4
183.08154	1.5
188.94107	0.2
197.09746	1.6
210.06949	0.6
225.05925	100.0
226.06245	4.2
242.05841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96416	0.2
57.03433	0.2
59.01366	0.5
61.26913	0.2
69.48425	0.4
69.48812	0.8
72.30260	0.2
79.95740	24.7
87.38493	0.2
93.03461	0.6
96.14043	0.2
98.22734	0.2
109.02940	0.2
137.02449	0.3
144.05817	0.6
153.06810	0.2
159.08139	0.6
161.09727	6.9
173.20621	0.3
181.12358	0.5
183.08089	0.4
183.16568	0.2
197.09802	0.5
207.10184	0.3
210.03554	0.2
223.04533	0.3
225.05919	100.0
226.06268	4.0
229.88721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0771
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
59.01374	7.7
59.12128	2.3
65.00343	3.0
66.56525	2.2
67.01898	2.5
68.99825	17.5
69.03452	3.0
69.70727	9.0
71.01382	10.1
75.00870	5.7
75.75314	1.9
79.05539	5.7
81.03493	3.5
83.05065	2.2
84.02171	2.5
88.89356	1.9
91.05533	8.4
92.46358	2.0
93.03474	11.8
93.07104	7.2
95.01385	3.6
95.05025	8.8
97.02981	2.5
97.06613	6.3
99.04524	4.3
103.05555	7.8
105.07113	28.3
106.04242	19.5
107.05043	14.0
108.02227	12.7
109.02947	4.9
109.06610	16.0
111.08163	5.9
119.05052	12.2
120.05834	57.8
121.02979	14.6
121.06610	100.0
122.06954	2.6
123.04550	3.2
123.08179	36.9
131.05023	13.0
133.06624	9.4
134.03787	10.9
135.04529	8.3
135.08185	52.2
136.01723	3.0
136.05344	4.8
137.02428	12.9
137.06082	19.1
138.06898	4.6
139.07674	7.8
147.04521	7.3
148.05312	6.5
149.06096	97.0
151.03990	2.1
151.07629	13.4
152.04872	3.1
153.07690	1.9
153.09215	5.8
163.07655	8.5
163.11331	5.2
165.01862	4.1
165.05582	16.2
166.06360	64.1
167.07056	2.8
175.03990	6.2
179.07146	3.5
181.08714	95.4
182.09053	3.1
193.05037	15.1
199.09750	2.8
207.06619	6.4
207.10333	8.8
210.05328	19.7
225.07716	98.1
225.11154	24.7
226.08182	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20201	0.4
57.03457	1.8
59.01384	100.0
60.01720	0.9
69.03456	0.6
69.32561	2.4
73.56189	0.5
79.95755	0.6
81.03469	2.1
83.05037	0.9
93.03465	1.9
95.05041	2.1
96.96017	0.6
97.06604	9.5
109.06612	1.0
121.06651	0.5
133.06708	0.5
134.03764	1.4
135.08186	1.3
137.02455	1.0
137.09756	1.4
146.96394	0.5
147.08179	3.8
149.02434	0.5
151.11278	1.5
163.11259	1.8
165.09203	1.9
181.01613	0.6
181.08698	0.8
181.12311	1.8
207.10175	0.8
225.00381	1.3
225.04048	0.6
225.07698	1.5
225.11322	31.0
226.11687	1.3
233.57564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01840	0.5
59.01383	1.7
61.64586	0.5
63.16832	0.4
69.15564	1.9
69.15975	1.1
71.05020	0.7
86.43725	0.4
87.35980	0.4
93.03469	0.7
97.02957	11.3
99.00882	2.9
109.06586	3.6
110.03739	8.4
111.04513	0.5
123.04525	0.5
125.09756	1.4
135.08176	2.5
136.05328	2.6
142.02768	1.2
145.10260	0.5
151.07666	0.5
161.09723	1.1
163.11305	11.5
164.11505	0.5
179.10765	1.3
181.12350	31.5
182.12717	1.6
189.09218	0.6
197.11812	1.3
202.26904	0.5
207.10277	73.4
207.59203	0.4
208.10555	3.2
225.11337	100.0
226.11632	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99706	0.7
58.45637	0.6
59.01379	5.3
63.63850	0.6
69.03425	0.9
69.18041	4.1
80.02663	0.7
81.03465	2.6
83.05025	2.2
84.02156	1.4
93.03476	3.5
97.02953	9.7
99.00870	1.3
109.06598	19.2
110.03741	9.6
121.06580	1.8
123.04528	1.2
125.09697	1.4
135.08189	2.4
136.05307	2.3
142.02705	2.2
145.10240	1.0
153.12886	0.7
159.42769	0.6
161.09714	2.0
163.11287	18.7
165.09279	0.8
179.10754	1.1
181.12344	16.8
181.13904	1.1
182.12651	0.7
189.09198	1.4
197.11809	1.3
207.10271	81.3
208.10608	2.9
224.90561	0.7
225.00323	1.4
225.11331	100.0
226.11601	3.9
230.65170	0.7
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
51.61026	0.6
54.35377	0.6
59.01375	2.8
69.29266	1.5
69.29675	1.9
70.14436	0.7
72.98469	0.6
97.02966	0.7
97.06614	0.6
126.90538	0.6
127.81680	0.6
163.14888	1.3
169.12392	1.1
181.12285	1.2
181.15987	1.1
189.12871	1.3
195.13927	8.2
197.15453	4.4
207.10477	1.4
207.13916	26.2
208.14233	1.0
225.14973	100.0
226.15276	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	225.1499
Annotation	Annuionone E
Peak:m/z	Relative Intensity
56.23707	0.3
59.01379	4.0
64.42254	0.4
65.85031	0.4
67.71975	0.4
69.05485	2.5
71.01399	0.3
83.05004	1.2
93.03461	1.6
95.05019	0.5
109.06617	0.6
110.03777	0.4
126.90585	0.5
130.08740	0.7
137.02448	0.5
138.03166	0.4
163.11299	0.8
163.14948	1.2
169.12320	1.3
171.36713	0.4
179.14432	0.4
180.30589	0.3
181.12350	1.4
181.15929	1.1
189.12901	0.8
195.13913	8.5
197.15475	6.1
207.10352	1.3
207.13913	22.6
208.14215	0.9
219.90933	0.4
224.90504	0.7
225.00478	0.5
225.11343	3.1
225.14973	100.0
226.15311	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
59.01376	1.4
63.07262	0.4
63.21645	0.4
69.07417	1.3
69.07836	1.5
79.95746	0.7
80.05080	0.6
81.03463	17.6
81.03953	0.9
82.06626	1.3
83.05031	89.9
84.05357	1.4
89.98696	0.4
91.67815	0.5
93.03459	1.7
96.96021	3.2
107.06117	0.5
108.04554	1.4
119.91656	0.5
125.07217	4.1
135.04585	0.5
138.91141	0.5
143.08275	3.0
152.58362	0.4
161.06071	0.6
181.08698	0.6
207.15036	10.5
208.15222	0.5
225.00613	1.9
225.02339	1.5
225.16092	100.0
226.16391	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	226.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07498	2.3
53.79533	1.7
55.01868	2.4
57.03447	13.5
59.01395	9.4
71.01392	33.7
71.28548	2.3
72.99337	2.5
73.02955	9.7
83.01374	10.2
84.05653	9.7
85.02966	11.8
87.00896	4.8
91.67113	1.7
97.06604	3.1
98.02499	3.3
99.00891	84.7
101.02443	4.2
111.00893	39.3
111.08168	2.6
112.98825	100.0
114.05591	2.2
115.00391	3.8
117.00487	13.3
123.04529	3.9
128.07184	2.2
128.53294	2.1
129.01944	23.3
129.07507	3.7
131.02020	15.5
136.01675	4.7
139.07657	10.8
142.99904	9.7
145.03342	1.8
145.06175	5.1
149.06137	2.5
151.04015	7.9
156.99950	7.2
167.07127	11.4
168.01549	5.5
173.00914	26.8
182.72600	2.0
183.11404	3.1
191.01930	5.6
208.98709	2.7
210.02600	8.3
226.99797	5.9
227.05652	2.6
227.20111	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	226.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07498	2.3
53.79533	1.7
55.01868	2.4
57.03447	13.5
59.01395	9.4
71.01392	33.7
71.28548	2.3
72.99337	2.5
73.02955	9.7
83.01374	10.2
84.05653	9.7
85.02966	11.8
87.00896	4.8
91.67113	1.7
97.06604	3.1
98.02499	3.3
99.00891	84.7
101.02443	4.2
111.00893	39.3
111.08168	2.6
112.98825	100.0
114.05591	2.2
115.00391	3.8
117.00487	13.3
123.04529	3.9
128.07184	2.2
128.53294	2.1
129.01944	23.3
129.07507	3.7
131.02020	15.5
136.01675	4.7
139.07657	10.8
142.99904	9.7
145.03342	1.8
145.06175	5.1
149.06137	2.5
151.04015	7.9
156.99950	7.2
167.07127	11.4
168.01549	5.5
173.00914	26.8
182.72600	2.0
183.11404	3.1
191.01930	5.6
208.98709	2.7
210.02600	8.3
226.99797	5.9
227.05652	2.6
227.20111	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	226.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07498	2.3
53.79533	1.7
55.01868	2.4
57.03447	13.5
59.01395	9.4
71.01392	33.7
71.28548	2.3
72.99337	2.5
73.02955	9.7
83.01374	10.2
84.05653	9.7
85.02966	11.8
87.00896	4.8
91.67113	1.7
97.06604	3.1
98.02499	3.3
99.00891	84.7
101.02443	4.2
111.00893	39.3
111.08168	2.6
112.98825	100.0
114.05591	2.2
115.00391	3.8
117.00487	13.3
123.04529	3.9
128.07184	2.2
128.53294	2.1
129.01944	23.3
129.07507	3.7
131.02020	15.5
136.01675	4.7
139.07657	10.8
142.99904	9.7
145.03342	1.8
145.06175	5.1
149.06137	2.5
151.04015	7.9
156.99950	7.2
167.07127	11.4
168.01549	5.5
173.00914	26.8
182.72600	2.0
183.11404	3.1
191.01930	5.6
208.98709	2.7
210.02600	8.3
226.99797	5.9
227.05652	2.6
227.20111	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	227.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67706	0.4
69.29222	2.0
76.28320	0.4
79.95740	23.9
80.82890	0.4
93.38035	0.4
98.02438	0.4
99.05652	0.7
107.05037	4.0
139.11290	1.7
140.07143	0.5
144.52136	0.5
146.62004	0.4
155.08340	0.5
163.11298	4.0
165.12794	0.6
183.07819	1.2
195.04617	0.9
209.09814	0.9
209.11832	2.9
211.07605	0.5
212.05145	10.4
227.02939	3.6
227.07492	100.0
227.10664	4.5
227.20226	1.5
227.53041	0.8
228.07837	3.1
244.04094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38420	2.1
57.03444	3.9
57.13147	2.0
59.01385	4.0
71.05030	2.5
82.90038	2.1
83.05040	3.2
95.05022	2.6
107.05041	7.7
111.08186	4.9
112.04046	2.3
165.12846	31.5
183.13902	63.8
199.03998	2.6
199.13422	5.4
209.11842	41.7
224.74881	1.9
227.03654	3.8
227.10878	6.5
227.12898	100.0
227.20229	5.8
228.13271	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01364	1.0
97.06609	0.6
98.22620	1.6
111.08197	1.7
142.35391	0.7
165.12869	17.3
169.12383	0.9
181.12476	0.8
183.13922	100.0
184.14235	2.7
189.33263	0.6
199.13419	3.5
209.11829	4.2
227.12907	16.8
228.13284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03435	1.2
58.00387	0.7
58.00604	8.0
59.01361	1.0
70.67905	1.9
71.01385	1.6
73.02940	1.6
84.02175	2.3
94.87571	0.8
95.05042	0.9
102.35668	0.8
120.44291	0.9
125.09690	1.1
139.11290	1.7
153.12856	2.9
155.14435	2.0
163.11311	1.4
165.12904	5.1
168.43362	0.8
169.12325	1.0
171.13905	2.4
181.12418	4.9
183.13910	8.7
199.13409	62.0
200.13753	2.2
204.08043	0.7
209.11852	14.6
227.12904	100.0
228.13217	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
58.00585	0.8
58.73102	0.6
59.01369	1.0
63.09090	0.6
69.02376	2.4
69.02792	2.2
71.05016	0.9
74.10389	0.7
80.02686	2.1
81.03461	1.4
83.05042	8.8
83.72681	0.7
84.02159	2.4
93.03483	1.1
95.05055	0.8
97.06641	1.0
98.22761	1.0
100.23673	0.6
107.05032	0.8
125.09823	1.2
135.08182	0.8
139.11314	4.6
147.11852	1.0
149.72614	0.7
163.11302	6.2
164.11552	0.9
165.12823	5.0
181.12340	1.8
183.14001	3.5
183.15344	0.7
191.10776	1.5
199.07626	0.6
199.13394	6.4
209.11845	100.0
210.12198	2.9
227.07127	1.4
227.11032	0.6
227.12926	13.9
227.16455	1.4
227.20128	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01875	0.3
57.03430	0.2
58.00607	0.3
59.01369	0.6
65.49036	0.2
69.03441	0.3
71.05023	0.6
71.40351	0.2
73.02962	0.2
80.02684	2.4
81.03469	1.7
83.01385	0.5
83.05032	7.9
84.02174	4.1
93.03463	0.2
95.05045	1.2
97.02905	0.2
97.06590	0.3
103.90901	0.2
108.02219	0.2
109.06608	0.5
111.08173	0.4
125.06118	0.9
125.09705	0.5
127.11248	0.2
135.08185	1.1
137.09790	0.1
139.11275	0.3
147.11833	0.4
153.12895	0.3
163.10016	0.2
163.11298	5.7
165.12851	4.0
165.14108	0.3
169.12347	0.4
171.13889	0.2
181.12389	0.9
183.13922	0.4
184.75565	0.2
191.10823	1.9
197.11969	0.2
199.13397	2.4
209.11841	100.0
210.12189	3.9
227.07152	1.3
227.12949	4.1
227.20169	0.6
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	Cladospolide B
Peak:m/z	Relative Intensity
63.32861	0.5
71.05018	0.8
80.02685	2.4
81.03471	2.3
83.05033	8.6
84.02183	3.3
88.42946	0.4
95.05016	0.9
98.22648	1.4
103.80485	0.5
103.81210	0.4
107.46416	0.4
109.06627	0.4
120.77057	0.4
125.06076	1.2
125.09775	0.6
135.08130	1.1
139.11301	0.6
163.11310	6.3
165.12860	5.6
181.12361	1.2
183.13861	0.7
191.10806	1.5
199.13368	0.9
209.11847	100.0
210.12198	4.0
227.12923	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03454	0.6
59.01375	0.2
69.03466	0.3
69.26311	0.7
80.03019	0.1
83.05031	0.1
97.06578	0.1
98.22725	0.2
111.08143	1.1
153.12984	0.1
163.11354	0.1
165.12852	19.0
166.13184	0.5
181.12378	0.2
183.13905	100.0
184.14264	3.1
188.54892	0.2
191.10745	0.2
209.11867	2.0
227.12898	15.0
227.20154	0.3
228.13237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34858	0.7
69.59581	1.1
69.59949	1.3
72.53519	0.6
93.55643	0.7
109.46097	0.7
111.08191	1.0
124.58772	0.7
156.16118	0.7
165.12854	17.8
183.13908	100.0
184.14211	3.3
209.11823	2.3
227.12915	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17407	0.5
57.03447	0.4
68.23544	0.4
98.21817	0.9
111.08152	1.1
165.12857	20.0
166.13158	0.5
183.13904	100.0
184.14246	2.5
209.11852	1.2
227.12904	17.8
228.13313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0296
Annotation	Resazurin
Peak:m/z	Relative Intensity
53.59312	0.7
59.01383	1.0
61.00434	32.7
66.92017	0.8
67.55328	0.6
69.71029	0.8
71.39449	0.9
75.00854	0.6
101.41029	0.8
109.62824	0.7
111.99590	11.4
114.59344	0.9
127.11266	0.8
136.99121	10.5
138.96339	0.7
155.98669	1.1
166.01784	100.0
167.02106	2.2
171.10349	1.0
210.12216	2.8
210.15045	2.3
227.20323	0.8
228.02968	17.9
228.05223	0.9
228.16058	23.1
229.10863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59312	0.7
59.01383	1.0
61.00434	32.7
66.92017	0.8
67.55328	0.6
69.71029	0.8
71.39449	0.9
75.00854	0.6
101.41029	0.8
109.62824	0.7
111.99590	11.4
114.59344	0.9
127.11266	0.8
136.99121	10.5
138.96339	0.7
155.98669	1.1
166.01784	100.0
167.02106	2.2
171.10349	1.0
210.12216	2.8
210.15045	2.3
227.20323	0.8
228.02968	17.9
228.05223	0.9
228.16058	23.1
229.10863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.083
Annotation	H-Pro-Asp-OH
Peak:m/z	Relative Intensity
51.74128	0.7
55.01888	1.0
57.03433	0.8
58.02962	1.0
59.01396	0.9
61.98820	0.9
62.41611	0.7
69.38404	3.2
69.38715	0.8
72.04164	1.5
72.04553	24.3
72.99292	0.8
74.02480	1.0
78.95936	0.8
82.02991	26.4
83.01396	5.2
83.06149	1.2
84.04562	7.5
87.00888	3.0
96.04563	0.7
98.02486	25.4
98.22092	2.1
98.22672	1.2
99.00915	1.4
100.04057	6.9
101.02451	0.9
101.07217	5.7
102.05618	12.2
109.04077	7.6
111.00912	1.2
112.04035	1.0
112.98840	2.0
114.00210	0.9
114.09261	1.6
114.31763	0.6
122.06107	0.8
124.07681	1.2
125.03576	2.3
127.05153	36.8
128.03558	14.1
138.01984	1.6
139.07751	0.8
139.08798	10.4
141.06801	1.0
142.03360	1.9
142.97575	0.9
145.06215	100.0
146.04593	2.2
146.06554	2.1
149.02478	0.9
154.80276	0.6
165.06729	5.3
166.05101	5.3
167.08295	8.4
168.06679	5.1
184.09776	1.6
185.05797	1.5
185.09338	9.7
186.07767	2.2
186.11366	0.9
193.61748	0.8
211.07274	10.5
212.05643	1.9
229.08331	62.3
230.06728	2.6
230.10310	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	229.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76786	0.4
55.01884	0.8
57.03446	0.8
58.02976	0.8
59.01387	1.9
68.47056	0.4
70.02972	0.5
71.01366	0.8
72.04552	19.2
72.99340	0.4
74.02480	1.6
78.95925	0.4
82.02991	20.2
83.01389	4.6
83.06143	1.1
84.04557	6.0
85.04095	0.3
86.02491	0.5
87.00881	16.3
96.04562	1.0
97.04040	0.5
98.02487	17.4
98.22643	1.2
99.05666	0.4
100.04057	5.0
101.02435	0.9
101.07217	5.9
102.05610	2.5
106.71738	0.4
107.02578	0.5
108.04587	0.7
109.04091	6.7
112.04074	1.2
122.06138	0.9
124.07693	0.6
125.00957	1.7
125.03574	2.6
126.98907	1.3
127.05148	34.5
128.03555	11.9
128.05502	0.6
138.01970	1.1
139.08777	9.7
141.06726	1.0
142.97536	1.8
145.06203	100.0
146.06532	1.2
149.02428	0.5
157.03592	0.7
165.06703	5.1
166.05104	5.2
166.97530	0.7
167.06883	0.7
167.08275	10.0
168.06747	2.1
168.08641	0.3
168.95433	0.6
168.99942	6.7
183.01471	0.5
185.05730	1.4
185.09329	7.8
186.07771	0.6
211.07269	9.9
212.02463	0.4
212.05592	0.6
229.08315	61.7
230.06747	0.6
230.08562	1.9
247.61096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0869
Annotation	2-Hydroxyplatyphyllide
Peak:m/z	Relative Intensity
56.53298	0.5
57.03445	1.0
57.37360	0.6
59.01391	0.7
64.31174	0.6
65.03956	2.6
65.53662	0.5
65.67157	0.6
69.30569	2.5
80.04166	0.6
83.01385	0.9
92.02714	0.8
98.21914	1.3
107.05039	62.1
108.05370	2.1
109.02928	0.9
117.07103	1.3
131.04997	0.9
143.08676	1.2
145.06593	4.2
147.04529	0.9
169.06606	0.6
170.07372	2.0
183.08165	100.0
184.08492	3.6
185.09727	47.7
186.10046	1.5
201.09264	0.7
214.06421	1.1
229.02475	1.4
229.08727	14.7
229.11017	0.9
229.14365	1.1
230.15460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.087
Annotation	Diorcinol
Peak:m/z	Relative Intensity
56.41155	0.6
70.71616	1.2
77.72322	0.6
78.98299	0.5
91.05547	1.7
103.83806	0.7
107.05049	0.7
109.02904	0.7
119.05026	1.4
122.42482	0.5
135.04585	1.2
137.06073	0.8
141.29022	0.6
145.06610	1.8
146.03732	5.0
147.04535	100.0
148.04886	3.6
170.07426	5.6
174.03252	0.8
185.09724	12.2
185.11308	1.2
211.07715	3.3
229.08704	81.6
230.08987	3.2
230.15472	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.93520	0.3
57.03461	1.3
59.01369	0.4
61.50888	0.2
67.01871	0.4
70.65954	0.6
71.05025	0.4
83.01437	0.4
83.05018	1.1
84.02161	0.5
85.02956	1.0
97.06609	0.3
112.69633	0.2
125.06042	0.3
125.09718	2.9
127.11293	4.2
143.05103	0.4
145.02856	0.3
155.10782	0.4
155.14458	1.3
157.10207	0.2
163.11249	0.4
163.17766	0.3
165.12833	1.3
167.14433	2.0
168.69539	0.2
171.10289	4.4
183.13913	2.5
193.12338	0.9
209.11852	3.1
211.13411	11.8
212.13773	0.5
229.14456	100.0
230.14803	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.37278	0.2
57.03442	1.0
58.72757	0.2
65.30525	0.2
68.40935	0.2
69.93916	0.2
71.42213	0.2
73.58213	0.2
81.03452	0.3
83.05025	0.6
84.02146	0.5
85.02954	0.5
97.06601	0.3
108.70863	0.2
125.09750	2.0
127.11305	3.4
129.40067	0.2
143.10768	0.2
155.14433	1.0
165.12810	0.8
167.14403	2.4
171.10269	4.1
183.13901	1.8
186.58855	0.2
193.12256	0.7
209.11835	3.5
211.13411	10.8
212.13724	0.5
217.10796	0.2
217.85356	0.2
229.14456	100.0
230.14774	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03449	1.7
59.01389	3.2
71.05012	0.8
75.79752	0.4
78.13948	0.3
81.83214	0.3
84.02170	0.4
85.02962	0.8
88.86822	0.4
92.20975	0.4
97.06591	0.7
112.88151	0.3
125.06068	0.6
125.09737	4.4
127.11298	5.4
155.14427	2.8
165.12796	0.8
167.14409	1.9
171.10371	0.4
182.98323	0.4
183.13884	0.9
185.06177	0.6
185.15538	0.6
205.71091	0.4
209.11818	1.8
211.13408	4.5
222.49718	0.4
229.14461	100.0
230.14850	3.9
238.03606	0.4
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
57.03444	2.0
57.08189	0.3
58.36958	0.3
69.24667	1.6
71.05027	1.1
83.05025	1.0
84.02184	0.6
85.02951	0.9
97.06562	0.4
99.27697	0.3
101.09729	0.4
125.09749	2.2
127.11294	4.5
143.05031	0.6
145.03004	0.4
155.14452	2.0
165.12874	1.0
167.14391	1.6
171.10260	4.7
183.13907	1.5
185.06105	0.8
185.11768	2.3
185.15430	0.4
201.05713	0.4
201.09233	0.7
209.11891	3.2
211.13416	13.3
214.06154	0.3
218.57639	0.4
227.12842	0.5
229.08737	2.2
229.14459	100.0
230.14786	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
59.01381	0.8
59.19953	0.4
62.43773	0.4
65.00317	0.3
83.01408	0.7
88.16599	0.3
103.01502	0.4
108.02169	1.1
110.41091	0.4
129.05597	0.5
139.11295	0.4
143.03984	0.3
143.05008	1.8
145.02977	1.2
148.21126	0.4
153.12892	0.5
157.06659	0.4
165.12856	0.9
167.14424	35.6
168.14786	1.3
185.06021	2.7
185.15465	1.1
197.11769	0.4
211.13412	43.1
212.13759	1.4
215.12889	0.4
229.02667	0.9
229.05060	2.4
229.14453	100.0
230.14764	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.45516	0.3
57.03455	0.4
59.01385	0.6
69.55631	1.3
83.01367	0.5
103.09145	0.3
122.92507	0.3
125.09750	0.4
143.05106	0.4
147.04451	0.3
165.12849	0.7
167.14430	34.5
168.14772	0.9
185.15440	1.0
201.05540	0.4
211.13412	41.9
212.13776	1.3
212.31038	0.3
229.14456	100.0
230.14799	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	229.1556
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.64905	0.5
58.32103	0.6
60.58199	0.6
61.88787	0.5
71.38894	0.6
82.06614	1.4
82.79974	0.6
83.01359	1.0
84.08167	0.7
85.06587	0.6
87.00859	0.5
98.06138	0.8
105.28551	0.6
106.91463	0.6
114.09256	1.7
115.08775	6.0
117.63389	0.6
130.08748	36.8
183.15128	0.8
185.06018	0.9
185.16595	32.2
186.16943	1.2
204.19336	0.6
211.14545	0.5
229.15578	100.0
230.15866	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	231.1026
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
70.45925	0.8
70.46276	0.7
71.47858	0.4
88.52505	0.4
125.02477	0.5
136.05301	10.2
148.76082	0.4
149.06154	0.5
150.06871	31.5
151.04024	1.1
152.04779	2.4
153.05573	2.5
162.96555	0.4
164.04816	8.1
175.07619	0.8
179.03516	1.0
181.05074	4.0
184.93169	0.4
202.06343	0.4
216.07928	0.9
217.08601	0.5
231.10263	100.0
232.10635	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	231.1027
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.97652	0.4
70.73225	0.4
70.73553	0.6
96.80625	0.4
125.02459	0.7
136.05315	6.8
150.06876	26.2
151.04018	0.9
151.07222	0.7
152.04851	1.8
153.05626	2.1
164.04807	9.1
165.05367	0.4
179.03537	1.3
181.05104	3.4
231.10277	100.0
232.10605	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	231.1028
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.63963	0.2
57.75080	0.2
58.15525	0.2
59.01367	0.4
63.99866	0.2
65.20474	0.2
69.03438	0.5
69.34517	0.2
81.03448	0.7
85.02950	0.2
109.02939	0.2
130.04230	0.8
143.05083	0.3
144.05815	0.4
146.03700	0.8
149.06137	0.2
151.07634	0.9
158.03737	2.6
159.04527	2.9
159.08145	0.6
172.05310	15.3
173.06085	4.6
174.06767	0.4
175.04068	0.3
175.07669	0.4
183.04486	0.5
185.11943	0.3
187.04262	2.7
187.07654	100.0
188.08006	3.4
197.06055	0.3
198.06837	0.3
201.05588	11.2
202.06367	20.1
203.06778	0.6
203.10800	0.5
204.04291	0.7
213.09218	1.4
216.07924	0.6
217.08603	0.4
231.10281	23.9
231.12297	1.5
231.15797	1.3
232.10657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72360	1.6
71.01358	0.4
81.03450	1.9
130.04295	0.5
131.05020	2.4
141.03474	0.5
141.12840	0.8
143.05099	0.5
146.03767	1.2
157.61806	0.5
158.03679	0.8
159.04529	6.0
172.05341	2.5
174.03230	51.1
175.03822	3.0
183.04498	0.8
183.13809	0.6
184.05252	2.6
185.06062	1.5
185.09862	1.0
185.11832	1.3
187.04022	11.9
187.07602	0.8
188.04663	0.5
196.05339	1.6
197.06084	29.2
198.06866	7.1
211.07655	1.3
211.13295	0.6
213.09221	100.0
214.09570	3.2
231.10269	71.8
231.15968	18.3
232.10606	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	231.1604
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03442	1.1
57.32938	0.2
68.46890	0.2
69.53436	0.5
69.53825	0.5
69.59657	0.2
69.92442	0.2
71.58678	0.2
81.03482	0.3
87.04510	0.3
90.09686	0.2
125.09723	0.3
127.11308	2.8
155.14421	0.8
164.90657	0.2
167.14465	0.4
171.10284	4.6
183.13960	0.6
185.15508	0.4
187.07632	0.6
195.13974	0.4
213.14972	4.4
229.14447	3.5
230.14778	0.2
231.16020	100.0
232.16353	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96721	0.7
60.97521	0.5
69.72051	0.6
69.72443	0.7
74.82116	0.3
74.99078	8.4
91.02239	1.0
93.00145	2.1
105.68076	0.3
116.75540	0.3
118.96285	1.3
134.99414	8.0
136.97359	2.1
141.07425	0.4
143.05353	0.9
149.00970	70.8
150.00967	1.9
150.98900	0.9
159.08459	1.6
161.06409	3.4
215.05556	1.4
217.07222	100.0
218.07365	4.0
233.10358	98.1
233.15344	9.9
234.10481	5.1
238.48717	0.3
248.19205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1184
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
51.20165	0.5
51.85290	0.6
59.01385	0.9
71.68776	0.6
75.00877	1.5
83.01401	0.7
96.95990	0.7
117.03474	29.4
118.04258	7.9
119.05037	8.8
121.02988	7.8
123.04562	2.2
132.72076	0.6
133.02971	1.8
141.92120	0.7
145.02966	64.5
146.03294	1.7
162.03256	2.2
163.04039	3.0
171.04515	1.6
217.12302	0.8
233.04640	1.0
233.11856	87.7
233.15489	100.0
234.12215	4.1
234.15855	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	235.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80409	0.2
70.46053	0.3
75.44848	0.2
79.95741	27.2
80.96524	0.5
105.55657	0.2
110.67755	0.2
115.97589	0.2
135.08192	0.3
142.49429	0.2
148.79890	0.2
165.60388	0.2
169.06615	0.2
170.07373	0.3
171.08171	30.6
172.08450	1.1
220.01897	0.4
235.04350	100.0
236.04671	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	235.0977
Annotation	(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Peak:m/z	Relative Intensity
59.01384	1.5
61.84596	0.5
65.03967	10.1
69.03449	0.5
69.48267	2.4
71.01416	0.5
92.92848	0.9
94.02992	1.4
97.06584	0.9
111.00841	0.6
121.02953	1.0
125.09740	5.4
133.02974	21.7
134.03763	18.7
135.04541	29.3
137.02457	6.6
139.04008	2.5
148.05342	0.8
150.03291	0.8
161.02464	31.6
162.02777	1.3
178.02748	2.2
179.03508	12.9
194.59895	0.6
210.65788	0.6
217.06250	0.7
235.09770	100.0
235.13474	7.4
235.16115	1.7
236.10097	3.8
245.07889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70254	0.7
53.48675	0.7
55.01878	12.4
57.03456	7.1
57.09217	0.7
59.01385	100.0
68.99829	0.8
69.03455	1.0
69.14899	4.8
71.01388	68.0
71.05037	3.2
72.99323	2.7
73.02949	37.7
73.06594	2.7
75.00886	1.5
83.01395	23.1
84.02222	0.8
85.02956	43.7
86.00131	2.3
87.00883	3.6
89.02441	4.7
95.01406	5.6
97.02963	1.7
99.00891	12.6
101.02451	94.0
102.02824	1.7
111.00915	2.5
112.49185	0.8
113.02462	30.8
119.03551	0.9
120.91937	0.6
125.02503	2.1
129.01962	2.0
143.03539	1.8
143.07220	1.2
159.03018	5.1
161.04559	13.8
161.05835	0.8
191.07149	1.9
235.06319	0.9
235.11845	19.0
235.13965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02805	1.0
55.01887	12.2
57.03459	6.9
59.01387	100.0
60.01748	1.4
64.43588	0.9
69.03444	1.5
69.63748	3.4
71.01389	70.0
71.05031	4.7
72.01720	1.1
72.99306	3.2
73.02952	40.8
73.06580	1.9
75.00880	2.4
79.95746	11.4
83.01396	24.8
83.65405	1.0
85.02962	46.7
85.32676	1.1
85.71808	0.9
86.00100	3.5
86.03301	1.4
87.00890	4.4
89.02443	5.4
95.01421	6.6
95.14346	1.0
97.02971	2.3
98.22018	1.8
99.00900	11.7
101.02454	90.2
102.02817	1.4
108.02164	2.3
111.00911	4.6
113.02467	30.0
123.04567	2.3
125.02416	1.2
129.01912	1.8
133.06584	1.3
143.03413	1.4
143.05019	5.2
147.08159	1.6
159.03015	4.7
161.04591	14.8
162.57509	1.2
163.07625	1.0
171.04544	30.2
190.60364	1.2
191.07153	1.3
191.10744	1.8
192.04173	1.1
207.06631	2.1
235.00719	60.7
235.06143	3.0
235.09727	2.4
235.11852	19.3
235.13701	1.4
235.15913	2.2
236.00999	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	235.1707
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
59.01383	4.5
60.30693	0.4
61.98790	0.4
70.53825	0.5
70.54153	0.3
71.01387	0.5
79.95754	1.0
83.05038	0.4
83.14111	0.3
92.92844	0.6
94.03015	0.4
97.06574	0.5
104.74976	0.3
115.14775	0.4
135.81456	0.3
138.93877	0.4
163.14961	0.8
176.90097	0.4
191.18063	2.3
217.16035	1.8
233.15488	1.9
235.17049	100.0
236.10413	0.4
236.17365	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38963	0.1
59.01372	0.2
70.42306	0.3
96.67354	0.2
96.86252	0.2
112.13169	0.2
112.63481	0.2
121.03003	0.2
127.82567	0.2
134.03732	0.8
135.04544	0.4
136.05296	0.7
148.05312	10.2
149.05965	0.5
149.09708	1.3
162.06885	0.4
163.13348	0.1
175.03964	0.2
175.07669	0.7
176.08388	1.0
177.09219	49.5
178.09544	1.4
190.09984	2.1
191.10759	0.9
192.11572	37.0
193.11966	2.1
201.09216	0.6
203.07175	0.6
217.08720	4.0
218.09485	9.8
219.09970	0.5
236.10545	100.0
237.10889	5.2
237.14575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83694	0.7
59.01363	1.7
59.94540	0.7
64.00201	0.7
70.01918	0.7
71.01024	1.5
71.01388	20.3
78.56999	0.8
115.00373	7.1
120.44420	0.8
121.02965	100.0
122.03307	3.0
133.05672	0.8
160.98712	0.8
193.12318	1.7
222.05299	2.3
237.07645	2.0
237.11397	1.6
237.14925	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	237.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60950	0.3
55.80534	0.4
57.67292	0.3
59.01379	1.6
59.89269	0.3
65.00340	1.4
71.01376	0.9
73.02960	0.5
75.80079	0.4
84.26098	0.4
89.02434	0.4
91.01909	0.9
92.02713	0.5
93.03479	0.8
107.05054	0.9
119.01395	3.0
120.02212	0.4
121.02972	1.1
125.02517	0.6
147.00887	14.4
148.01663	0.8
149.02457	1.7
151.04044	2.8
164.01144	1.8
165.01945	0.6
175.00372	0.8
179.03511	37.9
180.03810	1.1
193.05051	0.6
207.02998	100.0
208.03366	2.5
221.04597	1.0
222.05344	87.6
223.05710	3.2
237.07693	33.4
237.14987	1.1
238.08044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	1.1
59.01382	3.9
63.76429	0.5
68.99828	0.5
69.81348	1.1
70.37557	0.4
71.38501	0.4
76.37799	0.4
78.95908	4.2
79.95741	1.0
82.02979	0.5
85.02962	0.5
94.02992	0.9
95.01379	1.0
99.05650	1.0
109.02973	0.9
110.02439	0.6
111.00854	0.8
122.02501	3.1
123.00889	2.8
123.03244	0.6
124.01672	4.1
124.04043	1.1
136.04047	1.0
136.94080	0.5
137.02463	3.7
138.01990	64.3
139.02773	100.0
140.03122	2.5
146.02448	0.7
149.01231	0.6
150.01978	15.0
151.02718	1.0
152.03510	0.6
154.05162	1.2
154.90549	0.7
162.05621	5.4
164.03549	4.4
169.03270	0.5
171.01831	0.5
173.06107	0.7
177.06651	0.6
187.05173	1.3
194.98180	3.0
205.06223	3.5
222.06474	31.4
223.06734	0.6
237.02361	4.6
237.04698	0.6
237.06317	0.7
237.08810	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00910	2.3
53.17211	2.6
54.25668	2.7
55.01883	11.9
57.03439	6.0
57.28064	2.6
59.01385	98.5
69.60757	4.6
69.61147	5.8
71.01387	100.0
71.11092	2.8
71.67121	2.1
72.99301	3.4
73.02951	51.2
73.04053	4.3
74.02469	6.8
75.00861	3.9
78.95914	28.3
83.01402	17.2
83.11903	2.3
85.02955	55.7
85.04033	5.7
87.00887	4.0
88.37389	2.5
89.02435	17.1
95.01379	7.7
98.21897	3.0
99.00906	17.1
101.02455	98.0
107.05031	7.9
110.07231	3.6
113.02467	45.1
119.03474	3.3
119.05051	4.5
134.04680	3.2
139.60245	2.2
143.03470	4.6
159.03000	10.7
161.04576	35.6
194.09277	2.5
194.98128	5.4
196.88066	2.5
237.06465	2.3
237.09422	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	238.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
69.33253	0.8
71.01389	18.4
71.38838	1.0
74.41249	0.9
78.03491	2.2
115.00397	7.7
122.02494	100.0
123.02864	1.4
150.09100	0.8
155.01103	0.8
179.03513	1.0
223.02863	2.0
239.05693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72677	0.2
59.01375	0.3
59.73214	0.3
59.96714	1.2
60.44942	0.2
64.81023	0.2
69.26823	0.9
69.27228	0.6
74.98642	0.6
74.99074	13.1
85.02982	0.4
91.02212	10.2
93.00137	3.1
97.76548	0.3
104.23981	0.3
116.34011	0.3
146.95500	0.2
149.00961	5.1
206.14519	0.3
206.99695	3.0
207.99843	0.3
221.27066	0.3
223.02844	100.0
224.02899	5.2
239.05878	0.6
239.12927	0.6
241.04015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01384	100.0
69.54623	2.1
70.77406	0.6
77.01224	0.6
79.77718	0.7
81.03468	1.8
85.02973	1.3
90.03490	0.7
95.05039	2.4
97.06606	3.3
107.04999	0.7
109.06565	3.4
133.10155	0.7
135.08168	3.3
141.05595	9.3
147.41472	0.7
151.07654	0.8
151.11284	3.3
177.09219	3.9
195.10280	33.7
196.10609	1.3
213.84465	0.7
221.08099	1.1
223.02834	2.7
239.03879	4.5
239.09261	26.8
239.12912	1.6
240.09647	1.4
252.16200	0.6
254.94084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
58.85023	0.5
59.01373	2.8
70.70377	0.9
91.71679	0.6
97.96404	0.6
174.00810	0.6
177.12897	2.9
182.36865	0.7
195.13910	100.0
196.14235	2.6
203.10735	0.9
221.11893	0.6
223.02841	1.3
239.12881	8.6
239.16681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.05107	0.3
52.38313	0.3
57.03446	0.3
58.16149	0.3
59.01368	0.6
63.89810	0.3
65.00311	0.7
66.73425	0.3
69.24773	0.6
69.25185	1.3
76.47348	0.3
95.05038	1.3
96.95991	0.3
97.16860	0.3
98.21872	0.6
101.05457	0.6
101.06092	8.1
109.06602	5.5
111.08170	5.6
122.03772	0.9
125.09699	0.7
135.11784	0.6
136.98802	0.4
137.90511	0.3
138.06889	3.2
139.04024	15.9
139.07611	0.5
151.11238	0.6
154.06377	34.1
155.06717	0.6
165.12845	0.5
167.14432	10.4
179.10779	5.3
180.11569	0.3
182.05844	3.1
185.15529	0.5
194.90704	0.3
195.13914	100.0
196.14249	3.8
213.69656	0.3
223.02798	1.1
239.06757	0.4
239.12868	6.5
239.16588	0.5
240.13565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2018
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01386	6.3
65.00324	2.1
70.77891	1.1
71.01375	1.1
86.68559	0.8
94.52831	1.0
95.01386	1.5
96.95991	1.5
100.64613	1.0
107.05022	1.0
123.00901	2.2
132.35056	0.9
132.58620	0.8
151.00308	1.0
151.07634	1.4
154.06390	2.2
167.14342	1.1
195.13953	5.5
207.04140	6.5
223.02870	6.9
239.03777	2.0
239.06752	32.6
239.20181	100.0
240.07187	1.4
240.20497	3.7
259.12909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.42953	0.3
54.59583	0.3
55.01867	0.5
57.03444	1.2
59.01362	0.5
59.22271	0.3
65.00323	1.3
69.03455	2.6
70.39343	0.7
71.01361	0.4
71.05017	4.5
83.05047	0.6
84.46892	0.3
97.02925	0.5
97.06614	0.5
104.73176	0.3
116.17097	0.4
123.08132	1.1
125.09753	2.2
136.98827	0.8
137.09756	0.5
151.11314	1.8
153.12859	3.4
161.09723	1.1
162.73344	0.4
171.04553	0.5
179.10800	6.2
186.16602	0.4
197.11836	100.0
198.12190	3.3
223.09744	2.8
226.06812	0.3
241.10826	67.3
242.11153	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	241.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83837	0.3
55.01883	0.6
56.63062	0.3
57.03442	1.0
69.03471	2.6
69.11166	1.7
69.11570	0.7
71.05029	4.3
81.03462	0.5
83.05035	0.7
89.94231	0.3
97.02975	0.4
97.06599	0.7
107.35420	0.3
122.84063	0.3
123.08164	1.4
125.09742	1.6
137.09795	0.4
150.30788	0.4
151.11298	1.2
153.12845	3.3
161.09767	1.1
179.10783	5.4
197.11841	100.0
198.12189	3.6
214.82420	0.3
223.09753	2.9
241.10831	67.4
242.11241	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	241.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
58.02968	2.4
59.01370	2.4
64.35490	0.8
65.00336	3.7
70.02980	5.7
71.01392	1.0
71.41402	0.9
82.02989	28.6
82.06614	1.5
83.03349	1.2
84.04543	3.4
90.48907	0.8
96.04539	1.5
99.00888	1.7
103.78343	0.7
109.04082	1.8
110.02498	2.1
111.03268	1.4
112.03352	1.1
112.04063	7.9
114.09277	1.6
125.82732	0.7
126.09259	2.6
127.05158	3.8
130.08751	10.2
136.98827	2.6
137.09682	0.9
141.10355	19.9
167.11948	1.0
168.09026	2.1
169.01414	0.8
169.09787	2.8
169.13490	3.1
170.10683	0.7
171.04465	1.2
197.12967	86.7
198.13234	2.2
199.09740	1.2
213.05386	0.9
223.07658	1.0
223.10843	0.8
241.05136	2.8
241.11958	100.0
241.21733	2.4
242.12282	3.2
247.05614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01382	1.3
66.03490	13.1
68.01421	2.1
69.85914	1.7
71.01373	1.6
82.02987	30.7
83.01413	1.8
84.04554	0.9
94.03021	2.7
96.04579	1.7
108.04565	2.2
109.01726	0.6
110.02486	100.0
111.02024	5.7
111.02817	1.0
117.01963	1.5
120.04565	1.1
122.02480	6.9
124.04055	3.5
129.10397	0.5
132.03044	1.2
135.38971	0.5
140.03542	9.9
141.30267	0.6
152.02289	0.8
152.03540	16.9
152.26448	0.5
153.03047	9.9
182.04614	1.1
200.05649	34.9
201.06128	0.7
243.06229	21.4
244.06543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0665
Annotation	Gnetol
Peak:m/z	Relative Intensity
54.92168	0.5
55.01876	0.6
57.83103	0.5
69.71524	1.5
69.71859	0.5
91.05576	1.0
95.01385	0.7
119.05058	0.9
125.69230	0.4
128.06332	1.6
129.07124	0.9
131.05031	2.3
135.04526	0.8
137.06119	1.0
143.08702	0.6
145.06610	1.2
146.03738	2.9
147.04535	97.9
148.04861	2.8
156.05807	2.1
157.06619	0.8
158.25648	0.5
159.08127	0.5
164.61137	0.5
170.07385	1.7
170.28128	0.5
171.04564	0.6
171.08168	23.9
172.08473	0.8
181.06567	2.6
184.05360	0.6
187.07655	1.1
197.06096	1.6
199.07643	10.6
200.08214	0.6
215.07147	4.3
225.05623	5.6
225.09158	1.1
239.92499	0.4
243.06622	100.0
243.79117	0.4
244.07002	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	243.1026
Annotation	2,4'-Dihydroxy-3-methoxybibenzyl
Peak:m/z	Relative Intensity
55.01889	3.1
56.04527	0.5
57.03439	0.7
69.66301	2.0
81.03463	92.0
81.55134	0.5
82.03800	1.1
83.05029	9.6
107.05037	8.5
109.02941	0.7
123.04532	13.1
125.02446	0.8
128.54543	0.5
131.05026	0.9
133.06613	27.0
134.06987	0.6
146.03755	1.3
147.04610	1.0
159.08202	0.8
161.06093	100.0
162.06432	2.7
173.06047	1.4
180.65327	0.5
187.11243	0.6
197.09744	5.0
199.11130	1.0
200.08556	0.8
210.06947	0.7
215.10799	6.7
225.09242	4.4
228.07912	2.8
243.10269	77.8
244.10680	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	243.1028
Annotation	2,9-Dioxoeuryopsin
Peak:m/z	Relative Intensity
50.86295	3.2
55.01881	3.5
55.19532	3.3
61.98830	3.5
69.48820	13.9
81.03461	90.1
83.05033	6.5
85.00428	9.9
107.05035	7.5
116.92860	6.7
119.61475	2.8
123.04530	11.0
125.23670	3.1
133.06610	19.7
135.89442	3.5
136.97601	3.1
147.04524	8.3
161.06097	100.0
171.04532	5.2
197.09592	4.8
214.67551	3.7
215.10822	5.5
225.09229	7.2
243.03363	3.6
243.06502	8.0
243.07713	4.6
243.10269	87.2
243.12712	6.9
243.15784	3.9
243.79140	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	243.1028
Annotation	Emmotin C
Peak:m/z	Relative Intensity
51.81203	0.3
53.49283	0.3
55.68288	0.3
61.98834	0.4
65.03970	0.5
70.38488	0.8
81.03468	4.3
85.00467	0.9
105.03457	0.5
107.05035	2.1
109.03003	0.4
116.92875	0.4
117.19888	0.3
123.04537	0.4
131.05038	10.4
133.06606	2.4
147.04539	4.3
155.08771	0.3
157.06598	1.6
161.06064	2.0
169.10243	18.9
170.10553	0.5
171.08144	0.6
171.11821	0.3
179.08603	0.4
183.08148	1.6
185.09862	0.3
187.11298	4.9
188.04831	2.8
195.08205	0.8
196.08932	1.0
197.09724	27.6
198.10060	1.1
199.11246	1.0
210.06860	2.2
215.10789	9.6
223.07655	0.3
225.09225	100.0
226.09561	4.7
228.07878	0.4
243.10269	70.8
243.79128	0.9
244.10574	2.8
251.25615	0.3
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
57.03454	2.1
59.01384	62.3
60.63238	1.0
69.03463	1.6
70.96195	0.8
72.99310	10.5
98.22646	2.0
107.08666	3.9
109.10249	6.0
110.39300	0.8
121.10259	1.7
125.09722	2.3
137.09822	1.3
139.11244	4.1
155.10815	4.4
165.32089	0.9
183.10277	62.2
184.10707	2.6
201.11337	100.0
202.11716	4.0
225.11305	1.8
240.68448	0.9
243.12349	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81533	0.7
55.17923	0.6
59.01382	100.0
69.50400	2.5
89.51846	0.6
171.10262	1.1
181.12390	0.7
183.10269	6.0
199.09793	0.6
199.13429	1.3
201.11325	16.4
207.10306	1.2
225.11452	2.2
243.12421	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	243.124
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03445	1.0
59.01377	1.0
69.03469	0.7
69.11509	3.7
71.05032	5.4
79.81277	0.5
83.05030	1.5
94.98185	0.6
95.05048	1.1
97.02960	6.8
97.06584	2.1
98.23254	0.6
99.00892	26.9
99.01550	1.4
109.06601	2.2
110.03777	4.2
123.08198	1.3
125.09733	8.3
127.11310	1.7
135.08165	1.4
136.05298	1.1
142.02716	1.1
153.12849	1.2
155.14401	2.1
161.09750	0.8
163.11304	11.1
164.11630	0.6
179.10789	0.9
181.12369	26.6
182.12729	1.1
197.11780	1.1
199.13419	24.8
199.15305	1.2
207.10280	57.0
208.10648	2.3
225.11337	100.0
226.11671	4.4
243.12386	97.5
244.12744	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.88339	0.9
59.01375	3.5
60.10910	1.0
68.39378	0.9
69.11595	6.3
71.01390	1.3
71.05022	2.9
85.02974	0.9
97.02953	4.4
97.06607	1.9
99.00882	14.8
109.06560	1.2
110.03693	1.3
125.09739	3.9
127.11269	4.0
129.87633	0.9
155.14417	1.4
163.11288	7.4
171.10266	3.0
181.12349	26.4
183.10286	1.4
197.11826	2.4
199.13396	48.8
200.13806	1.5
201.11391	2.6
207.10265	34.7
208.10660	1.2
208.20099	1.1
225.11334	78.8
226.11592	2.8
243.12372	100.0
244.12761	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88339	0.9
59.01375	3.5
60.10910	1.0
68.39378	0.9
69.11595	6.3
71.01390	1.3
71.05022	2.9
85.02974	0.9
97.02953	4.4
97.06607	1.9
99.00882	14.8
109.06560	1.2
110.03693	1.3
125.09739	3.9
127.11269	4.0
129.87633	0.9
155.14417	1.4
163.11288	7.4
171.10266	3.0
181.12349	26.4
183.10286	1.4
197.11826	2.4
199.13396	48.8
200.13806	1.5
201.11391	2.6
207.10265	34.7
208.10660	1.2
208.20099	1.1
225.11334	78.8
226.11592	2.8
243.12372	100.0
244.12761	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01889	0.5
57.03466	0.5
59.01406	1.0
71.05024	3.0
83.05061	1.1
83.21385	0.3
96.56733	0.3
97.02975	3.2
97.06618	1.3
99.00887	18.6
105.73072	0.4
109.06603	0.9
110.03742	1.9
111.00939	0.3
115.92262	0.3
123.08198	0.5
125.09727	5.7
127.08432	0.3
135.08191	1.0
136.05299	0.4
150.98145	0.3
153.12935	0.5
155.14439	1.3
161.09695	0.4
163.11293	5.9
164.11604	0.5
171.04567	1.0
171.10274	0.4
181.12354	16.6
182.12756	0.8
197.11879	1.0
199.13412	12.6
200.13852	0.5
207.10271	35.4
207.87285	0.4
208.10609	1.0
225.11336	69.4
226.11699	3.4
243.12372	100.0
244.12654	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	243.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	7.1
85.00436	13.6
117.03475	5.4
130.09676	4.1
155.17360	3.7
171.04546	27.2
183.13947	8.0
211.13399	100.0
211.19562	3.6
242.99246	3.9
243.02982	10.3
243.06625	7.6
243.17807	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
52.52583	0.5
57.00269	0.5
59.01381	2.7
64.87498	0.5
72.32175	0.5
74.70412	0.6
82.06602	1.1
84.07552	0.5
84.08156	0.9
90.41193	0.6
101.02455	3.2
107.73587	0.6
110.02491	0.9
112.07663	0.8
114.09241	1.1
129.10381	4.6
130.08755	47.0
131.09070	0.7
145.01421	3.0
171.04509	0.7
182.15511	0.7
195.21326	0.6
199.18176	27.4
200.18405	0.7
243.02847	1.1
243.06723	2.1
243.12291	3.0
243.17159	100.0
244.12701	0.5
244.17627	3.6
244.19833	0.7
252.91896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92820	0.4
66.03476	1.3
69.62302	1.0
82.02971	0.4
82.06620	6.8
82.86284	0.5
84.08196	1.3
85.72634	0.4
98.22668	0.8
109.14828	0.5
112.07694	1.8
114.09289	1.3
120.53073	0.4
121.49747	0.4
125.09740	0.6
129.10353	4.6
130.08749	56.2
131.09128	0.6
141.10374	0.8
157.13474	5.2
163.52786	0.4
166.55283	0.4
182.15515	4.2
199.18175	28.1
200.18532	0.5
201.12460	0.6
229.13855	0.5
243.08791	1.2
243.17143	100.0
244.17545	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	245.0432
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
78.95914	100.0
94.98109	2.4
96.96983	8.6
130.62622	0.8
152.99608	71.0
171.00667	34.1
203.78241	0.8
245.04352	75.3
246.04698	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	245.082
Annotation	Mansorin III
Peak:m/z	Relative Intensity
59.01372	1.4
60.10595	1.0
65.71832	1.2
69.75933	3.8
75.40856	1.0
91.64218	1.1
95.26323	1.1
98.22664	1.3
109.02942	2.1
122.03715	1.3
123.04525	5.0
135.04521	1.9
148.01682	24.4
161.02382	6.0
162.03249	6.4
162.91167	4.1
163.04025	73.6
164.04378	1.7
174.99390	1.1
186.06828	3.4
186.95651	2.0
199.07602	1.0
201.09280	7.0
219.72847	1.2
227.07201	3.0
227.10785	2.8
230.05843	4.8
245.08195	100.0
246.08455	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	245.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15012	1.3
53.99832	1.3
57.03444	2.5
57.82116	1.3
58.00596	7.5
58.02954	1.5
59.01383	29.5
71.01386	12.3
71.33563	1.7
72.02174	3.1
72.99317	2.1
73.02958	4.1
74.02477	4.0
74.40181	1.3
78.03788	1.7
78.95908	19.1
81.07096	2.5
85.02945	1.9
87.00884	14.1
89.02457	9.7
95.05039	4.5
96.96980	2.7
97.06594	16.6
99.00900	3.1
99.08144	13.0
101.02456	1.9
105.01953	3.8
107.04992	1.4
108.02187	6.3
109.06609	4.5
111.08129	1.8
112.01682	4.9
112.13725	1.3
113.03578	3.4
125.06110	3.7
127.07664	100.0
128.07980	2.7
129.01955	3.6
129.09329	8.5
129.10347	7.9
130.08731	11.4
130.09560	1.5
137.06093	8.1
139.07690	9.9
140.07190	2.6
141.09367	1.6
141.10388	3.7
146.34520	1.6
147.03003	3.8
147.04501	1.8
152.99579	12.1
155.07161	48.4
157.08699	4.2
167.07086	1.9
171.00661	4.8
173.06181	2.2
174.99205	1.5
175.04041	2.1
183.11430	2.4
185.08258	7.3
201.05646	2.9
210.07545	1.8
215.10434	4.9
217.05142	2.7
227.10347	5.1
245.04379	14.7
245.10382	5.1
263.70865	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	245.1184
Annotation	[4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
56.43189	1.0
59.01392	1.4
69.09010	5.7
81.03433	1.3
91.78418	1.2
92.31412	1.1
93.03465	4.5
97.06587	2.3
98.21880	1.6
103.01529	1.0
107.05041	47.8
109.02960	13.8
111.04532	1.5
118.49969	0.9
119.05033	1.4
120.05835	3.8
125.06087	1.6
126.67233	1.0
127.46555	1.0
132.85852	1.1
133.06624	7.9
135.08160	16.4
145.06590	1.4
161.06087	22.9
183.11732	1.8
185.09703	1.2
189.05574	3.0
197.09761	3.3
209.09737	10.5
211.07675	5.1
212.08333	4.8
217.12331	15.7
227.10791	100.0
228.11191	2.9
245.11797	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	245.1184
Annotation	7-Hydroxy-10-oxodehydrodihydrobotrydial
Peak:m/z	Relative Intensity
52.42744	0.5
55.49697	0.5
59.01371	0.6
59.94945	0.5
65.89597	0.5
71.39664	0.9
93.03459	0.5
114.44196	0.5
117.03484	24.5
118.04287	4.8
119.05037	100.0
120.05366	2.5
121.02973	3.9
123.04551	0.9
132.05835	1.4
133.02943	0.8
134.03711	0.5
139.26872	0.5
145.02965	40.7
146.03325	1.3
162.03227	1.1
163.04025	44.9
164.04364	1.0
186.55325	0.7
201.05553	0.8
213.01044	0.6
245.11838	78.0
245.19054	10.3
246.12177	2.9
246.19431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1185
Annotation	[4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
56.07265	0.7
59.01368	0.7
69.95194	1.8
81.03446	2.7
83.05045	1.6
91.05550	0.9
93.03474	4.6
97.02958	1.9
97.06605	3.1
98.21948	0.9
100.46159	0.7
101.33236	0.7
101.34898	0.7
106.79422	0.7
107.05043	50.0
109.02968	13.5
119.05037	1.0
120.05817	3.8
125.06082	1.2
133.06616	8.9
135.07211	1.3
135.08182	18.4
146.03700	1.3
147.04536	53.8
148.04890	1.7
152.02287	0.7
161.06107	25.0
162.06482	1.2
162.72742	0.7
166.61710	0.9
171.08209	0.9
173.09676	1.9
174.99391	0.9
183.08180	2.5
183.11783	1.6
184.09059	0.8
185.09747	3.3
189.05609	2.0
194.07304	0.7
197.09750	2.9
199.11325	1.2
209.09766	10.5
211.07718	6.4
212.08377	5.5
217.12355	18.2
222.78821	0.9
227.10800	100.0
228.11070	4.6
245.08205	35.9
245.11879	8.4
246.08554	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	245.1185
Annotation	Morinin A
Peak:m/z	Relative Intensity
55.14857	0.4
69.29047	1.0
69.29432	0.6
81.03460	1.5
93.03448	4.5
97.06611	2.5
99.04495	0.4
107.05040	51.3
108.05376	1.2
109.02959	13.4
111.04516	0.9
119.05007	0.7
120.05806	3.4
125.06089	1.8
131.05058	0.8
133.06615	6.5
134.06947	0.4
135.08179	17.2
145.06592	0.7
151.07664	0.6
158.38475	0.4
159.08257	0.4
161.06094	26.0
162.06415	1.0
163.07648	0.6
170.07393	0.8
183.08173	0.7
183.11787	1.9
184.08934	0.5
185.09755	3.2
189.05589	3.3
197.09711	4.4
199.11330	1.3
201.09250	0.4
201.12901	0.8
209.09729	9.5
210.10049	0.5
211.07651	5.9
212.08415	6.0
217.12347	17.6
218.12749	0.4
225.09125	0.7
227.10791	100.0
228.11099	4.4
245.11836	9.8
246.12230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52616	0.4
56.32233	0.4
59.01385	4.8
67.01854	0.6
70.41988	1.1
81.03450	1.2
83.05020	0.8
93.03468	4.7
97.06598	2.4
99.04550	0.7
107.05043	47.9
108.05381	1.4
109.02242	0.8
109.02971	13.8
111.04514	2.1
115.57240	0.6
119.05019	1.4
120.05802	2.6
121.06608	0.7
125.06097	1.3
127.11278	0.6
131.05048	0.8
133.06618	7.7
135.08183	18.5
136.08479	0.6
145.06517	0.9
147.04536	0.6
157.12411	2.5
159.08160	1.0
160.05327	1.3
161.06104	25.2
163.07565	0.6
170.07408	0.8
183.11794	1.9
185.09737	3.0
185.11737	1.3
189.05602	4.0
189.12872	0.7
197.09738	3.4
199.11275	1.6
201.09235	0.8
201.12901	0.8
203.12900	12.0
209.09756	9.5
210.10092	0.7
211.07681	5.5
212.08412	6.6
217.12361	18.5
218.12764	0.5
225.09329	0.8
227.10797	100.0
228.11125	3.8
245.07988	0.8
245.11850	14.5
245.13925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1184
Annotation	Curcolone
Peak:m/z	Relative Intensity
57.03455	2.3
59.01374	0.6
63.27904	0.3
73.30567	0.3
81.03465	15.7
82.03819	0.3
83.05032	1.0
87.00860	0.3
93.03468	1.0
95.05023	0.9
97.06601	0.4
99.04536	0.4
107.05040	10.5
109.02956	2.6
111.04555	0.8
117.07100	1.4
119.05078	0.5
120.05819	0.9
122.84995	0.3
125.06106	3.1
131.05032	0.9
133.06607	11.5
135.08176	3.4
145.06595	4.3
147.04558	2.1
147.08176	5.8
157.06609	0.9
159.08205	1.9
160.05319	0.6
161.06090	18.1
162.06519	0.5
172.05327	0.6
173.06123	0.7
173.09740	1.1
175.07634	2.4
179.07930	0.3
183.11830	1.0
185.06102	1.9
185.09796	0.5
186.06844	0.7
187.07652	1.8
187.11282	2.0
188.04915	0.3
189.05542	1.1
197.09717	3.0
200.08430	0.8
201.12865	6.4
209.09752	0.9
211.07721	0.8
212.08408	0.9
215.10774	17.9
216.11169	0.7
217.12306	2.7
227.10791	11.6
230.09511	1.4
245.11842	100.0
246.12193	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	245.1296
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
59.01386	0.9
65.14996	0.8
69.03332	3.3
69.03755	3.4
69.64066	0.8
70.29057	0.8
98.21804	1.6
116.05055	1.4
129.72226	0.7
142.06638	100.0
143.07013	4.5
144.04572	5.3
186.05623	12.4
201.10429	1.1
245.10464	1.5
262.03577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12018	0.4
57.19948	0.4
59.01384	44.6
69.77801	1.0
69.78160	0.9
71.05024	0.7
76.49191	0.5
98.21964	0.7
100.87418	0.7
107.05028	2.6
109.02956	0.7
127.11298	3.4
135.08174	0.9
139.11307	2.1
141.36905	0.5
148.01329	0.6
155.10823	2.6
157.12352	20.3
157.33955	0.5
158.12711	0.8
161.06070	1.1
185.11858	15.4
197.09677	0.5
203.12901	100.0
204.13248	3.5
217.12325	0.9
227.10799	4.6
245.11818	0.8
245.13948	3.5
251.47200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1397
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03445	1.8
59.01373	1.1
66.43180	0.5
69.55861	0.4
71.05028	1.4
71.38660	0.5
74.69723	0.4
78.95869	0.8
83.05013	1.1
93.90705	0.5
97.06593	1.9
111.08190	3.3
125.09758	1.2
152.99724	0.5
155.14418	2.1
163.11270	0.6
163.59822	0.5
165.12865	19.8
165.14304	0.9
181.12314	0.6
183.13910	20.1
184.14211	0.6
185.11841	1.2
199.13391	1.3
201.05539	0.7
201.14986	10.7
203.12839	1.2
207.10249	0.6
209.11845	15.6
225.11398	1.4
227.12910	52.7
228.13213	1.9
231.10269	0.9
233.66144	0.5
243.12386	1.0
245.04295	1.5
245.13953	100.0
246.12227	0.7
246.14575	2.3
255.08588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63738	0.3
59.01380	0.6
69.24406	0.8
69.24816	1.0
74.59145	0.3
79.95739	21.7
107.05038	1.4
113.02441	0.5
113.06059	0.4
121.02952	0.4
121.06519	0.4
127.07671	0.5
128.03511	0.3
133.06561	0.8
135.04558	0.5
135.08170	1.4
149.02477	1.2
151.03957	0.5
161.06055	0.5
167.03526	0.4
183.08159	30.0
184.08470	1.4
185.60550	0.3
185.62350	0.3
186.95569	0.8
189.05568	1.3
190.06367	0.5
203.14410	0.7
219.13890	3.2
247.04347	100.0
247.13184	3.3
248.04637	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0978
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.74273	0.7
57.63937	0.8
59.01380	4.1
68.16077	0.8
70.27737	1.7
70.28069	1.6
74.70995	0.7
81.07100	3.1
89.02470	1.0
93.03470	2.5
106.04237	2.7
107.04945	0.9
109.02962	1.3
111.00893	1.0
121.02972	7.7
123.55537	0.8
133.02966	28.8
134.03758	95.7
135.04572	12.2
136.85623	0.8
137.02460	38.9
138.02782	1.1
139.04028	15.2
149.02417	1.3
150.03210	5.7
161.02466	6.8
165.01923	2.4
165.09224	18.5
174.06898	2.6
178.02733	38.3
179.03510	8.5
203.10777	16.4
203.14484	1.6
217.08699	7.9
218.09427	1.7
219.14047	0.9
232.11031	14.3
247.09764	100.0
247.13295	5.3
248.10176	4.9
248.14085	2.1
248.16484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0978
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
67.03029	0.4
70.71175	0.8
76.15041	0.4
86.77053	0.5
87.80051	0.5
93.03477	1.7
106.04256	2.8
108.02191	0.6
109.02958	0.8
111.00886	1.3
121.02969	7.1
124.01777	0.4
133.02975	27.8
134.03755	90.5
135.04608	5.2
137.02457	36.7
138.02838	0.7
139.04025	13.1
149.02498	1.3
150.00192	0.4
150.03238	4.0
161.02499	2.5
165.01955	0.9
174.06886	0.5
178.02730	31.8
179.03479	9.9
186.25995	0.5
203.10765	1.2
232.10986	0.8
247.09763	100.0
248.10085	4.2
248.14095	0.4
268.54636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Merulidial
Peak:m/z	Relative Intensity
59.01363	5.7
61.45504	2.6
61.98825	6.1
71.36980	3.0
83.05035	5.6
85.51868	2.6
89.02428	3.8
90.11807	2.7
94.69809	2.6
99.08164	7.3
101.06088	3.9
107.05038	18.6
113.06090	11.2
115.10096	2.6
120.05809	7.2
121.02952	4.3
127.07653	21.7
133.06606	12.4
135.08183	41.3
152.91780	4.4
157.27357	2.7
161.06108	4.8
162.83987	2.6
164.90898	3.5
165.09213	5.2
177.05511	3.7
186.95607	4.0
189.93097	3.9
190.06407	4.3
192.91061	3.1
197.71999	3.2
201.12880	5.3
219.13907	100.0
220.14136	4.9
229.12346	5.0
247.09698	7.1
247.13434	39.3
247.17088	4.7
262.53015	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	247.134
Annotation	Acutifolone B
Peak:m/z	Relative Intensity
50.31681	0.8
60.16037	0.6
61.88370	0.6
99.08189	0.8
117.03479	29.7
118.04273	9.0
119.05045	23.9
121.02968	9.2
123.04542	2.8
133.02960	2.7
135.04495	0.7
140.61377	0.7
145.02966	56.7
146.03351	1.1
147.04491	0.8
153.12851	1.2
156.99136	0.7
162.03206	2.5
163.04037	9.6
175.00366	1.0
246.98837	0.7
247.13403	100.0
247.16940	5.0
247.20464	5.2
248.13754	4.0
248.71895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Acutifolone B
Peak:m/z	Relative Intensity
51.19707	0.3
51.37204	0.3
59.01377	1.2
71.05028	0.4
71.42155	0.3
74.93011	0.3
80.60538	0.3
85.06531	0.4
97.06618	1.9
121.06575	0.4
123.04559	0.6
133.06621	0.5
135.04524	0.5
135.08142	0.5
148.05322	0.5
149.06076	3.4
161.06071	0.7
163.07663	0.5
171.08163	0.4
173.02385	0.6
173.06096	0.3
173.09651	0.7
174.06880	1.1
177.09213	0.8
187.07672	1.7
187.11359	0.5
188.04796	2.5
188.08476	3.4
188.11993	0.5
189.09229	5.6
191.07188	0.6
193.08717	1.5
199.07625	0.8
199.27692	0.4
201.05498	0.4
202.06334	1.1
203.07091	0.7
203.10789	6.6
203.14452	1.3
205.12370	2.1
213.09181	2.5
214.10046	1.6
216.53642	0.4
217.08708	28.9
218.09282	2.3
219.13921	1.4
220.07404	0.9
229.12350	10.5
230.09467	0.4
230.12822	0.3
231.10300	6.2
232.11037	32.2
233.11462	0.9
246.09055	1.6
247.13397	100.0
248.13776	5.0
249.07805	0.8
264.10168	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	247.1342
Annotation	Acutifolone B
Peak:m/z	Relative Intensity
59.01383	0.8
59.01979	0.3
69.11296	0.6
69.11700	1.5
71.05007	0.3
83.09417	0.3
83.88084	0.2
97.06007	0.3
97.06553	1.5
98.22670	0.4
107.05023	0.4
123.04564	0.5
123.08179	0.6
135.08194	0.7
138.21922	0.3
148.05356	0.4
149.06093	3.3
153.35330	0.3
161.06067	1.1
162.06857	0.4
163.07570	0.4
173.06110	0.7
173.09711	0.3
173.12148	0.3
174.06839	0.8
176.08423	0.3
177.09230	0.6
178.67151	0.3
187.07648	2.1
187.11295	0.7
188.04829	2.9
188.08438	4.1
188.12056	0.4
189.09210	6.0
190.09683	0.4
193.08725	1.1
199.07594	1.0
201.05525	0.5
202.06306	1.3
203.07103	0.9
203.10782	6.3
203.14328	1.4
204.11465	0.5
205.12340	2.4
211.11156	0.4
213.09239	2.5
214.10048	2.1
217.08705	30.6
218.09360	1.7
219.13934	1.6
220.07310	0.6
229.12340	9.5
230.12711	0.5
231.10265	5.6
232.11041	31.5
233.11386	1.1
246.08965	0.9
247.13397	100.0
248.13748	4.9
249.07664	0.7
264.09961	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	247.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01373	1.1
66.84023	0.4
68.85561	0.4
82.55487	0.4
83.04992	0.4
88.03989	0.3
93.09017	0.4
97.06595	2.1
98.22659	0.7
107.05030	0.5
123.04528	0.4
125.06052	0.5
133.06671	0.5
134.03729	0.6
134.07959	0.4
135.04529	0.4
135.08144	0.6
148.05305	2.1
149.06093	5.0
150.06821	0.4
151.07661	0.7
161.06102	1.4
162.06871	1.0
163.07657	1.0
170.09222	0.4
173.02400	0.4
173.06030	0.7
173.09750	0.5
174.06917	0.9
175.07661	0.7
176.08394	1.0
177.09241	1.9
187.07747	1.7
187.11313	0.7
188.04800	3.6
188.08421	3.2
189.05681	0.5
189.09225	5.7
193.08749	0.6
199.07684	1.5
201.05478	0.5
202.06384	1.2
203.07098	2.6
203.10793	6.6
203.14493	1.4
204.07849	0.6
205.12401	2.6
213.09161	2.5
214.09959	1.8
217.08707	30.8
218.09450	6.8
219.13885	1.2
220.07408	0.8
229.12357	9.6
231.10251	6.9
232.11053	34.6
233.11404	1.3
246.08873	0.9
247.13409	100.0
248.13806	4.0
249.07784	0.9
261.11172	0.5
264.10150	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69225	0.4
57.03442	0.6
59.01369	1.3
60.48474	0.5
74.33936	0.4
77.36839	0.4
85.06604	0.4
87.04505	0.5
97.06628	2.2
107.05025	0.4
123.04511	0.6
148.05301	1.7
149.06114	4.5
150.06772	0.5
161.06155	1.3
162.06911	1.1
163.07619	0.8
172.46873	0.4
173.02457	0.5
173.06064	0.8
173.09586	0.5
174.06837	1.1
175.07649	0.9
176.08455	0.9
177.09221	2.0
177.29420	0.5
187.07666	1.8
188.04808	3.2
188.08469	3.4
189.09212	5.0
193.08687	0.9
199.07686	0.7
201.05605	1.1
202.06342	0.9
203.07108	3.0
203.10817	5.5
203.14449	1.2
205.12393	2.0
213.09245	2.6
214.09985	1.6
217.08720	27.1
218.09480	5.8
219.09929	0.5
219.13916	1.6
220.07399	1.1
229.12347	9.8
231.10274	6.1
232.11053	30.0
233.11467	0.9
246.08978	1.1
247.13405	100.0
248.13797	4.3
249.07706	0.8
264.09851	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	247.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.5
58.97971	0.7
59.01340	1.8
75.16828	0.7
79.95695	1.9
83.04956	2.2
86.55344	0.6
89.56816	0.6
98.22665	1.4
99.08166	4.7
101.06094	6.3
107.05042	15.3
117.07023	0.9
120.05820	4.6
121.02931	0.9
121.06527	1.5
127.06721	0.9
127.07656	19.5
133.06589	8.7
135.08180	28.3
136.08519	0.9
145.06546	2.4
147.04469	0.9
147.08109	1.5
149.02478	4.5
152.04753	0.9
161.06053	4.3
162.06808	0.9
163.07610	1.1
167.03476	1.3
183.04552	1.6
189.09187	0.9
201.12840	4.7
203.07208	1.7
203.10741	3.8
203.14413	3.8
204.11548	2.4
215.10762	1.1
215.80687	0.6
215.83029	0.7
217.08583	0.8
219.13910	100.0
220.14221	3.8
229.12334	4.4
232.00031	0.8
247.00832	4.1
247.09822	1.4
247.13417	33.6
247.17177	1.5
248.13884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02943	0.6
57.03432	1.6
58.00572	0.6
59.01364	0.7
64.63699	0.5
70.59557	0.6
79.95744	1.5
83.05029	1.8
84.02155	0.6
85.06588	1.0
95.04976	0.6
98.22668	1.0
98.74629	0.5
99.08166	4.2
101.06087	4.8
107.05046	16.1
112.05322	0.7
113.06091	3.7
117.05382	0.7
117.07076	1.1
120.05818	5.9
121.02987	1.0
121.06592	1.7
127.07664	20.8
133.06612	8.5
135.08177	27.6
145.06621	2.8
147.04546	1.5
147.08076	1.3
148.53584	0.5
149.02441	2.2
149.06090	0.9
152.04793	1.0
161.06075	4.7
163.07657	1.5
167.03476	0.7
177.05528	1.4
183.04536	0.7
189.09073	0.6
190.06328	2.0
201.12840	6.0
202.92375	0.6
203.10748	1.5
203.14513	3.7
204.11577	1.8
219.13913	100.0
220.14211	4.4
228.19073	0.5
229.12358	5.1
231.10298	0.8
247.00816	1.0
247.04398	2.5
247.09541	1.3
247.13406	37.5
248.13750	1.9
248.61484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
61.21537	0.1
61.88760	0.1
65.22592	0.1
69.03992	0.2
69.04393	0.9
73.42538	0.1
121.03032	0.1
149.68759	0.1
204.15135	0.2
205.15973	0.3
220.17033	1.0
231.13914	0.6
247.17033	100.0
248.17386	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	248.093
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
52.01923	0.5
64.00130	0.3
69.31735	2.0
70.02983	1.3
72.04547	7.4
82.02989	100.0
83.03340	1.3
91.05541	9.1
98.02486	8.7
99.04442	0.4
100.04053	52.3
101.04391	0.5
116.81795	0.4
147.08005	0.4
151.07619	0.4
151.73936	0.5
154.03702	0.3
176.10843	2.0
202.08746	17.7
203.09100	0.8
204.10356	0.8
221.11856	1.3
240.92238	0.4
248.09302	30.5
249.09549	0.7
249.11833	0.5
249.14888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0552
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
53.49874	0.8
65.12853	0.8
69.26249	4.7
71.85875	0.8
74.02470	3.7
82.02985	2.6
84.04567	2.8
86.02487	11.9
88.04052	0.8
96.04575	1.2
98.22658	1.8
109.07698	1.0
114.52758	0.9
120.01259	10.7
127.05145	3.4
127.08794	15.1
128.03552	100.0
129.03912	1.3
153.06709	6.1
161.09692	0.9
171.07764	48.0
172.08102	1.0
179.04582	1.2
197.05473	0.8
215.06706	1.7
231.04410	3.5
249.05527	3.8
249.07820	0.9
249.11276	0.9
249.15083	1.9
250.14481	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	249.0553
Annotation	gamma-L-Glutamyl-L-cysteine
Peak:m/z	Relative Intensity
58.02997	1.4
74.02476	2.8
82.02987	3.1
84.04572	2.8
86.02486	12.3
102.98589	1.3
109.07685	1.6
115.82806	1.0
120.01267	9.5
127.05173	3.8
127.08781	14.3
128.03554	100.0
129.03894	2.7
133.06635	1.8
135.08195	12.6
153.06677	5.3
153.74542	1.0
157.19856	1.1
161.09821	1.8
171.07771	47.5
181.03088	1.1
187.11328	4.1
190.06311	1.2
205.12379	7.9
205.16042	1.5
215.06665	2.3
221.11826	1.2
231.04469	3.0
231.10262	2.3
249.02238	1.8
249.05493	4.3
249.11357	10.8
249.14969	13.1
250.14555	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	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51386	1.4
61.98837	3.4
69.58453	1.4
73.15104	1.5
91.66387	1.4
109.06664	1.6
109.39526	1.6
127.07665	4.2
127.08741	1.3
127.60473	1.4
155.27156	1.4
161.02443	1.8
167.06874	2.5
169.08482	2.7
180.74545	1.4
181.12376	18.3
199.07425	2.1
200.08411	3.9
201.08989	9.0
203.10529	18.0
205.08421	1.6
205.12173	4.8
205.16028	3.0
214.33899	1.4
215.10776	4.6
219.10280	18.5
220.11066	3.1
220.14633	2.1
221.11635	11.0
223.13171	100.0
224.13541	4.0
231.13960	10.7
233.07979	3.5
234.12682	13.9
235.09570	6.6
237.11086	11.0
249.11096	59.0
249.14952	32.6
250.11775	2.6
250.14464	31.3
265.10522	7.5
267.12152	47.6
268.12558	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	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07700	0.5
59.01390	0.8
67.41653	0.5
71.16653	0.6
79.12548	0.4
84.19129	0.4
94.28164	0.4
101.77237	0.5
127.07628	1.4
141.09242	2.1
151.07640	0.7
155.10739	0.9
167.06892	1.0
179.10817	0.7
181.08496	3.0
181.12357	12.1
182.12598	0.7
194.94035	0.5
199.07355	0.6
201.09006	4.1
203.10571	8.3
203.14412	0.6
205.12334	0.5
215.07082	0.5
215.10818	0.8
216.11957	0.4
219.10252	3.5
221.11600	4.5
223.13165	19.2
224.13486	0.8
225.07437	0.5
226.22212	0.5
231.13943	3.2
233.08002	2.2
233.11777	0.9
234.12749	2.8
235.09573	1.7
241.14177	0.5
249.11092	100.0
249.14807	8.3
250.11470	3.6
250.14490	9.5
265.10608	1.8
267.12189	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	249.1135
Annotation	(S)-1'-Methylbutyl Caffeate
Peak:m/z	Relative Intensity
53.30854	0.6
53.62289	0.7
71.41331	0.7
85.00388	0.6
93.03439	0.8
107.55004	0.6
121.02990	1.1
133.02965	18.5
134.03760	18.2
135.04543	28.4
136.04892	0.7
137.02446	5.7
139.04024	2.2
147.39699	0.7
161.01109	1.5
161.02461	30.9
162.02821	0.8
177.09167	0.7
178.02730	2.1
179.03510	12.1
249.11333	100.0
250.11743	3.6
250.14508	12.9
268.12439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1134
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
61.98850	0.5
63.81070	0.3
70.33401	0.7
77.43541	0.3
79.05537	1.0
93.03458	0.4
98.94762	0.3
106.04261	0.6
121.02957	0.9
126.20073	0.4
132.02185	0.5
133.02966	17.3
134.03755	15.1
135.04544	11.0
136.04883	0.4
137.02452	5.2
137.09726	0.5
139.04016	1.8
151.03990	1.0
161.02458	33.7
162.02805	1.0
177.01915	0.6
178.02751	2.5
179.02025	0.5
179.03525	5.0
191.03613	0.4
209.94305	0.3
249.11327	100.0
250.11646	3.8
250.14510	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	249.1133
Annotation	Trolox
Peak:m/z	Relative Intensity
52.23779	1.4
58.01593	1.0
61.98819	3.6
70.88353	1.6
85.00425	2.1
85.30837	1.1
93.58694	1.1
98.11106	1.0
139.19977	1.0
164.08380	1.2
175.07635	4.8
189.09200	6.2
190.09921	4.3
190.85210	2.3
217.08682	5.2
221.15411	1.6
249.11334	100.0
249.48679	1.4
250.11720	3.9
250.14459	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
56.08820	2.2
59.01370	10.6
69.03462	36.2
69.42525	9.5
71.39839	2.4
95.04964	5.5
98.21896	2.6
107.05017	2.3
121.06663	3.0
149.13379	3.3
161.02565	3.9
187.14934	5.6
193.12360	6.5
205.12355	10.7
205.15953	10.7
205.17719	3.3
221.15485	19.6
231.13904	32.2
248.97246	3.1
249.09093	4.3
249.11360	18.1
249.14963	100.0
250.14485	66.7
255.80061	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
54.33617	0.8
57.03448	0.9
67.20079	0.7
71.05024	1.1
83.05048	1.1
87.04493	1.8
91.86217	0.8
95.05051	1.2
97.06594	5.9
107.05067	0.9
118.84344	0.8
122.03793	1.0
123.04573	1.1
123.08153	1.5
125.06080	1.6
133.06622	0.9
134.03787	1.0
135.04536	0.8
135.08183	1.0
144.81371	0.8
149.06079	1.8
151.07664	5.4
159.08220	1.0
161.09717	1.5
163.07701	1.0
165.09120	1.0
168.34471	0.8
171.96912	0.9
172.05251	0.8
175.07655	1.5
175.11273	4.6
176.08469	1.3
177.09244	1.6
178.06398	1.3
186.06851	1.4
187.07719	5.2
190.06425	0.9
191.10782	2.0
193.08717	5.1
193.12215	1.0
200.08328	0.9
201.09192	4.3
202.10017	4.6
203.07132	2.3
203.14478	2.3
204.07899	1.4
205.08728	1.3
205.12407	1.3
205.16049	2.5
207.13974	2.1
208.13748	0.8
213.12732	1.2
215.10773	19.7
216.11481	7.2
219.10278	91.8
220.10991	15.5
231.13911	90.3
232.11075	1.7
232.14238	4.6
233.11824	6.5
234.12631	57.0
235.12918	2.6
248.10605	1.4
249.14978	100.0
250.14760	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	249.1498
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
53.38779	0.5
61.55382	0.6
61.70682	0.5
66.63026	0.6
69.48351	1.8
71.05010	1.3
95.05030	2.1
97.06586	4.7
98.21957	1.2
98.73048	0.5
107.05042	0.6
123.08150	0.9
125.06088	0.6
129.12257	0.6
134.03760	1.6
135.08171	0.8
137.09706	0.8
142.38405	0.6
146.18672	0.7
149.06079	3.5
149.09711	1.6
150.06831	0.8
151.07677	4.5
151.11264	0.8
161.06062	0.8
161.09702	2.9
163.07646	0.9
165.09198	1.4
175.07712	0.7
175.11241	1.5
176.08325	0.9
177.09204	2.3
179.10721	0.8
186.06845	0.8
187.07666	3.0
187.11310	1.7
189.09148	0.8
191.10825	3.0
193.08708	3.2
193.12303	0.7
201.09286	3.5
202.09970	1.5
203.07133	1.5
203.10799	1.0
203.14430	5.3
204.11595	0.7
205.08688	1.7
205.12427	1.2
205.16029	1.0
207.13898	2.0
213.12915	1.4
215.10768	10.8
216.11578	3.2
219.10280	47.8
220.10938	7.6
220.14453	0.7
220.90970	0.6
231.13901	43.1
232.11081	1.7
232.14218	1.9
233.11853	6.2
234.12622	37.9
235.12939	1.5
248.10614	1.3
249.07907	4.3
249.11385	4.1
249.14972	100.0
250.14601	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	249.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44073	1.0
61.69179	1.3
61.98859	1.2
63.19923	1.1
83.05058	1.4
97.06606	4.5
108.13830	1.2
121.02960	3.2
149.09731	1.8
151.07654	4.7
161.02441	1.2
161.09860	1.2
172.14003	1.1
175.07605	1.4
175.11316	2.3
177.01920	1.6
177.12881	1.3
186.06866	1.7
187.07674	4.4
189.12863	1.5
191.03526	1.5
193.08696	6.2
201.09201	5.1
202.09999	3.5
203.07150	2.2
204.07881	1.9
205.12376	1.7
205.15997	3.5
207.13983	1.6
211.34584	1.2
213.12805	1.5
215.10770	21.6
216.11449	4.7
219.10269	84.7
220.10895	12.5
231.13913	70.3
232.14221	5.1
233.11934	8.0
234.12639	51.2
235.12912	1.6
249.14973	100.0
250.14516	30.6
262.43002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88619	0.6
59.01372	1.9
72.99320	2.5
75.00880	3.7
87.00887	3.4
93.40491	0.6
105.01942	100.0
106.02277	0.8
116.49260	0.6
117.03473	3.1
117.83266	0.5
119.05035	22.1
135.04453	0.6
145.02968	14.9
146.03293	0.9
163.04022	28.4
164.04335	1.2
250.14561	0.9
251.14928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.2
57.03448	7.2
59.01385	95.9
62.24223	1.0
69.03463	1.8
69.23703	7.0
71.01389	94.3
71.70019	1.0
72.99323	2.7
73.02956	37.1
75.00869	2.7
76.43096	1.1
78.91885	3.4
83.01395	16.1
83.04072	1.0
85.02962	48.0
87.00868	4.0
87.04532	1.3
87.05643	1.5
89.02454	24.9
95.01405	7.6
97.02936	2.4
97.04066	1.5
98.22628	2.1
99.00893	13.5
101.02454	100.0
111.00869	1.6
113.02468	37.5
119.03531	8.1
120.99648	1.5
125.02493	1.7
129.02017	2.5
131.03506	1.5
135.04524	7.9
143.03519	4.5
159.02968	7.6
161.02484	2.0
161.04576	38.1
163.04308	1.2
179.03455	4.1
179.05672	1.3
208.97881	3.1
221.09322	3.3
250.98965	2.5
251.11427	20.8
251.14517	7.9
268.70450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85116	1.3
54.03815	1.4
55.01881	9.1
55.12985	1.6
57.03446	6.8
58.00579	2.5
59.01384	95.5
69.45757	1.3
71.01386	100.0
72.01707	1.5
72.99313	1.9
73.02950	33.8
75.00874	2.8
77.60603	1.5
78.91902	3.4
78.95908	5.2
83.01386	18.0
84.96574	1.5
85.02960	47.0
85.06454	1.6
87.00871	5.4
89.02449	24.1
95.01371	8.6
98.21972	1.8
99.00885	11.8
101.02452	92.2
113.02460	41.5
119.03499	6.5
121.47221	1.4
125.02466	3.3
143.03532	4.5
143.05060	4.6
159.03001	10.3
161.04578	39.4
162.04823	1.7
187.04041	2.4
203.11809	1.6
232.70442	1.8
250.80217	1.7
251.00252	11.4
251.05771	2.3
251.11339	20.7
251.14815	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	251.1291
Annotation	Sch 642305
Peak:m/z	Relative Intensity
54.04839	0.2
54.60964	0.2
55.01882	0.3
59.01367	0.5
70.88979	0.4
71.05038	1.1
73.02956	0.7
77.72871	0.2
78.21625	0.2
81.03445	0.5
83.05035	0.3
85.02919	0.3
85.06593	0.9
87.04519	0.9
87.64520	0.3
95.05038	0.4
97.02966	0.3
97.06601	5.0
107.05056	0.6
109.02912	0.4
109.06587	1.8
111.08136	0.3
111.95358	0.3
121.06599	0.6
122.03736	0.4
123.04548	0.3
123.08191	1.9
125.06060	0.5
134.03728	0.3
135.03613	0.4
135.04536	3.8
135.08167	1.0
136.05333	1.1
137.06084	0.8
137.09735	2.1
144.05826	0.3
149.09720	0.4
151.07611	0.6
151.11333	0.5
153.05614	1.4
159.08130	0.3
162.06822	0.5
163.07634	0.8
163.11320	0.9
165.05579	0.7
165.09200	0.7
175.07654	0.5
177.09158	0.7
179.03561	1.2
179.07147	0.6
179.14272	0.2
180.07907	0.5
187.11273	0.3
188.04794	0.4
189.09099	0.3
189.12863	0.6
190.10004	1.6
191.10849	0.3
193.08736	1.0
195.10294	0.4
203.07147	6.7
204.07693	0.5
205.02934	0.3
205.12312	2.4
207.13976	1.7
208.11107	0.5
209.11790	0.3
215.10762	0.6
218.09492	17.4
219.09868	0.7
220.07372	0.3
221.08195	14.9
222.08516	0.6
233.11839	25.4
234.12151	1.1
235.09833	0.3
236.10553	10.0
237.10950	0.2
249.11349	0.7
251.12895	100.0
252.13245	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	251.129
Annotation	Sch 642305
Peak:m/z	Relative Intensity
50.22289	0.3
57.03460	0.5
69.36441	1.2
71.05016	1.1
73.02939	0.7
81.03455	0.5
84.56304	0.3
85.02970	0.4
85.06567	0.6
87.04521	0.5
90.11177	0.2
97.06590	4.2
107.05035	0.7
109.02994	0.3
109.06612	1.8
110.03702	0.3
121.06579	0.4
122.03783	0.3
123.08161	1.8
125.06087	0.9
133.02931	0.4
135.04526	3.6
135.08147	0.7
136.05330	1.4
137.06094	0.4
137.09702	1.5
138.03241	0.3
149.09662	0.4
151.07608	0.4
151.11253	0.3
153.05585	1.1
160.28914	0.3
161.02451	1.0
162.06982	0.4
163.07634	1.2
163.11276	0.9
165.05553	0.8
165.09203	0.6
175.07707	0.6
177.09195	0.8
179.03540	0.9
179.07220	0.4
180.07901	0.5
188.04897	0.3
189.12854	0.6
190.09946	1.1
191.10631	0.3
193.08739	1.2
195.10283	0.6
203.07138	4.9
204.07948	0.7
205.12315	2.0
206.12494	0.3
207.13939	1.0
208.11020	0.7
215.10770	0.7
218.09494	15.0
221.08217	12.5
222.08644	0.4
233.11842	24.3
234.12224	1.1
236.10561	9.4
237.10835	0.5
249.11324	0.6
251.12900	100.0
252.13231	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	251.1291
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
59.01363	0.6
69.91336	0.5
69.91660	0.8
71.05022	0.7
73.02940	1.0
85.06590	0.7
87.04500	0.9
91.01868	0.5
95.05042	0.4
97.06599	3.6
98.22001	0.6
107.04979	0.5
109.06570	1.0
121.06622	0.5
123.08160	1.1
125.02583	0.5
125.06127	0.5
134.03760	0.4
135.04541	2.6
135.08191	1.3
136.05287	1.4
137.06065	0.7
137.09763	0.8
149.09680	0.4
151.07635	0.7
153.05606	0.9
162.06824	0.5
163.07664	0.9
164.04807	0.4
165.05562	1.2
175.07613	1.0
177.09265	1.0
179.10756	1.1
188.04753	0.5
190.09982	0.6
193.08658	1.5
195.10301	1.3
200.08313	0.5
203.05356	0.8
203.07166	9.1
204.07735	0.9
205.12389	1.9
208.11008	0.5
215.10765	0.7
217.08640	0.6
218.09489	17.8
219.09830	0.7
221.08203	22.8
221.11681	0.6
222.08516	0.6
228.88585	0.4
233.11845	15.5
234.12196	0.9
235.09804	0.5
236.10547	13.8
237.10938	0.5
251.12885	100.0
252.13217	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	251.1655
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
56.00816	2.4
61.98820	3.4
78.91371	2.2
79.50406	2.1
84.27067	2.3
99.08171	2.8
104.36171	2.5
108.22887	2.2
125.09721	4.7
132.24814	2.3
137.09735	100.0
138.10071	2.3
147.22116	2.2
195.13947	2.6
205.16031	11.5
207.17555	47.6
223.17004	7.0
233.15584	4.7
251.14548	11.1
251.16829	69.2
252.17015	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	251.1655
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
55.92616	4.5
57.83907	3.4
61.98826	4.2
66.55923	3.3
69.91891	7.8
85.73591	3.9
91.01962	4.1
137.09729	100.0
168.91383	6.4
190.85371	4.9
205.15981	6.8
207.17603	42.6
227.11189	3.6
251.12469	8.2
251.14406	39.3
251.16666	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	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03453	5.5
58.75425	0.4
59.01392	1.0
66.79456	0.4
69.03462	0.4
70.06569	0.9
71.01406	0.4
71.04999	0.7
81.03481	0.4
93.03499	0.5
97.06579	0.5
101.02319	0.4
107.05051	1.2
109.06603	35.2
110.06967	0.6
121.06590	0.5
123.08167	0.5
126.19176	0.5
135.04538	0.5
137.09814	0.9
141.09235	3.0
161.02411	0.6
163.11349	0.3
165.09212	0.6
179.03458	0.4
189.12988	0.6
191.14433	17.8
192.14790	0.9
204.05365	0.4
205.16045	1.0
207.13960	1.1
207.17543	6.9
207.19482	0.5
218.09554	0.9
221.08308	0.5
233.11848	1.2
236.10629	0.5
251.12912	5.0
251.16577	100.0
252.16875	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89013	1.1
55.01878	2.6
57.03450	2.5
59.01384	100.0
68.99883	1.4
71.01389	52.9
72.99316	2.2
73.02956	9.6
83.01401	5.3
85.02953	13.6
87.00894	5.9
89.02450	51.3
94.26249	1.3
95.01382	3.6
97.02966	1.3
99.00856	1.2
101.02450	52.8
101.03120	2.6
113.02467	26.4
119.03513	13.5
125.02396	1.3
131.03500	3.4
143.03488	5.7
149.04474	1.2
161.04572	21.8
179.05629	7.1
209.15465	1.7
253.05022	2.7
253.09294	64.2
254.04527	2.0
254.09648	1.6
254.32133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01870	4.5
58.00579	1.2
59.01382	100.0
59.33370	1.1
71.01386	53.8
71.77785	1.1
72.99294	2.0
73.02949	7.0
83.01397	6.9
85.02957	11.7
87.00870	5.5
89.02451	52.1
91.04018	2.6
93.03468	1.4
95.01383	3.8
97.03013	1.4
98.22691	3.0
99.00854	2.3
101.02452	54.6
101.03118	2.6
102.02784	2.1
111.05719	1.3
113.02454	24.3
119.03506	16.0
125.02446	1.6
131.03465	3.6
137.06039	1.3
143.03546	6.3
161.04553	23.0
179.05617	7.4
244.83795	1.2
253.05048	5.5
253.09296	60.8
254.04646	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	253.093
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
52.91754	1.7
53.76869	1.8
55.01883	4.0
56.22074	1.9
59.01382	100.0
69.28859	6.1
69.29259	5.0
71.01387	37.4
72.99316	5.3
73.02940	7.2
83.01410	2.9
85.02959	9.6
87.00879	3.9
89.02451	28.3
95.01372	3.3
95.68026	2.2
99.00898	2.4
101.02451	35.1
113.02459	15.0
117.01950	2.2
119.03509	10.8
122.11959	2.0
125.02542	2.7
136.98581	4.2
137.02477	2.6
143.03537	2.6
154.97545	24.1
154.99602	4.9
161.04587	16.6
163.75957	2.1
179.05618	5.0
193.07141	3.2
197.49095	2.5
204.33784	1.8
253.05043	3.8
253.06987	4.2
253.09309	43.0
271.32092	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	253.1447
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.43420	2.3
57.03437	5.5
59.01398	12.7
63.39717	2.7
65.00310	3.0
67.01889	8.3
69.03449	8.6
71.05019	5.5
76.49539	2.6
79.04821	2.5
80.02675	2.6
81.03463	88.1
83.05035	58.4
84.02166	11.0
93.03494	3.3
95.01396	6.2
95.05056	14.9
97.02987	14.2
97.06582	10.1
98.03708	5.6
98.21832	7.2
99.04527	100.0
109.06593	7.9
111.04561	13.6
121.02959	3.3
123.00859	3.2
137.09694	3.8
142.77232	2.8
143.22725	2.5
153.09261	2.8
155.10768	6.4
163.37660	2.4
165.09166	9.6
171.10274	34.2
180.63988	2.7
185.73822	2.5
191.14447	18.0
193.10684	4.0
193.12361	55.0
207.13933	8.6
209.11784	8.8
209.15303	2.6
217.12204	3.4
225.14847	3.7
235.13412	96.3
235.15762	5.4
236.13751	3.1
253.05089	5.6
253.08731	3.0
253.14482	77.8
254.04523	8.6
254.14876	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	253.1446
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03442	1.1
58.55987	0.8
59.01379	18.6
60.56137	0.8
69.03468	4.3
71.05039	0.7
71.14079	0.7
73.21529	0.7
79.67082	0.7
81.03455	13.1
83.05032	12.3
84.02139	1.6
87.00880	9.2
93.07111	1.4
95.05031	4.0
97.02968	3.3
97.06588	2.7
99.04519	18.3
106.04279	1.6
109.02995	1.0
109.06586	1.8
111.04508	2.5
123.04564	1.1
123.08187	1.0
125.09734	0.8
147.11816	12.0
153.02255	1.4
169.12222	0.8
171.10255	6.6
173.13361	100.0
174.13695	4.4
175.11319	3.1
187.41171	0.9
191.14449	3.6
193.12337	10.7
207.13933	1.7
209.11722	1.1
209.15450	1.9
217.12379	0.9
235.13382	20.0
236.13744	1.0
251.46490	0.7
253.05148	1.7
253.14473	27.9
254.04549	2.9
254.14742	1.4
256.31293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.57618	3.0
57.03437	6.0
58.30330	2.6
59.01383	8.4
59.17457	3.3
69.03459	9.0
71.05019	9.4
80.02670	5.1
81.03463	92.0
83.05033	57.4
83.91261	3.3
84.02162	9.6
86.06975	2.8
86.22960	2.9
95.01424	3.7
95.05038	10.3
97.02962	15.2
97.06616	7.2
98.03715	4.0
99.04527	88.5
101.06112	11.6
109.06591	8.8
111.04523	15.8
121.02977	5.6
137.02368	2.8
151.07631	9.7
153.09230	3.5
155.10776	9.0
159.08510	3.0
165.12685	3.3
170.88330	6.2
171.10274	33.9
191.14458	18.2
193.12343	43.7
196.07452	7.7
207.13907	6.9
209.11850	7.8
209.15515	13.3
211.13480	4.7
235.13405	100.0
236.13797	7.0
252.98396	6.8
253.05023	16.1
253.14471	86.0
253.21675	4.8
254.04634	8.3
254.14827	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01392	1.7
59.35856	1.1
61.41470	0.8
66.60773	0.8
67.26451	0.9
67.69875	0.8
70.83112	1.6
73.68572	0.8
73.92991	0.9
83.05036	1.0
92.92654	0.9
109.86485	0.9
116.92847	1.0
252.99837	1.7
253.21745	100.0
254.22112	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	253.2174
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
57.21346	1.1
59.01367	2.8
71.01434	1.1
73.30145	1.0
88.99130	1.1
118.28487	1.0
121.02963	2.1
137.02370	1.1
166.05920	1.0
228.96442	1.1
253.21750	100.0
254.22081	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	255.0889
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
50.52163	0.2
69.42863	1.2
73.71279	0.3
79.95707	0.3
97.07486	0.3
98.90060	0.3
117.32479	0.3
119.41398	0.2
124.02112	0.2
144.08215	0.6
169.06450	0.7
169.07700	0.3
176.56065	0.3
184.08810	0.8
188.06845	0.3
196.07518	0.9
197.05931	5.6
198.06227	0.3
204.05008	0.3
211.09795	0.7
212.08318	5.9
213.08519	0.4
240.06531	13.2
241.06810	0.6
255.08893	100.0
255.23317	2.8
256.09244	4.0
272.05499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1141
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.34865	0.4
58.67770	0.4
59.01362	0.7
65.00320	1.5
67.01910	0.5
70.32897	0.5
92.33291	0.5
95.05042	1.3
98.22648	1.0
108.04567	0.9
120.04565	1.7
122.06126	0.9
132.04610	0.8
134.06125	6.6
143.05035	0.6
145.05367	1.5
159.05695	2.8
160.06480	0.7
163.39610	0.5
171.68713	0.4
181.81201	0.5
182.06120	4.1
196.07742	1.6
197.08536	2.6
198.08055	0.5
212.10803	9.9
225.06709	2.1
226.07498	6.0
238.07515	0.5
239.08261	6.1
240.09042	14.1
255.11411	100.0
255.23297	10.6
256.11716	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	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03437	1.7
59.01379	2.4
60.20782	1.0
65.00315	1.8
67.01878	1.2
69.03459	2.9
69.08994	8.0
74.14981	1.0
76.15302	0.9
81.03412	1.4
82.49873	0.9
83.01392	50.8
83.05036	5.2
85.02987	1.0
93.63766	0.9
97.06610	2.0
98.05959	1.0
123.08092	1.1
125.09739	5.1
127.93934	1.0
137.09705	1.3
151.11258	1.1
163.11276	1.3
165.12842	2.8
167.14366	3.9
169.12346	3.1
171.10291	33.7
175.11261	3.4
183.13898	4.8
193.12349	63.4
194.12704	3.2
194.92734	1.5
211.13412	100.0
212.13750	3.9
213.04117	1.0
255.06723	1.8
255.12373	30.9
255.16077	6.3
255.23306	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	255.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
58.70409	0.6
59.01381	2.6
65.00328	9.7
69.71002	0.5
69.98260	1.8
71.01395	2.1
72.02180	5.6
105.15174	0.6
123.00977	0.6
138.05618	0.6
143.05046	6.0
152.91776	1.1
166.91727	0.7
167.14433	3.8
171.04530	1.5
183.13887	6.0
193.16002	1.2
194.92775	0.8
195.13927	8.6
209.15413	0.8
211.04015	2.2
211.13405	1.5
211.17039	1.1
219.84546	3.4
237.14996	16.9
253.14510	0.6
255.02991	9.2
255.06606	2.3
255.16040	100.0
255.23297	18.7
256.16443	4.4
256.23682	1.0
264.44769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93718	0.3
59.01366	0.4
63.23838	0.3
65.00324	1.1
92.40810	0.3
96.64408	0.3
121.02885	0.3
122.84570	0.4
168.05684	0.8
186.06664	0.9
195.10339	0.7
214.06245	40.4
215.06552	1.4
238.62537	0.4
239.09244	0.4
245.43777	0.4
256.23758	0.8
257.06818	100.0
258.07111	4.1
268.60376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37207	1.4
58.99607	1.5
65.00327	5.3
66.03463	1.3
69.63406	1.2
74.02480	100.0
93.06190	1.4
97.04074	3.3
109.04110	8.7
110.09773	26.1
111.05653	25.6
116.01734	1.3
122.09763	5.8
136.07701	2.3
150.09248	3.4
151.12390	2.0
164.09561	9.5
167.11906	5.6
179.11913	98.3
180.12282	2.2
205.86044	1.5
211.10898	29.4
212.14386	1.4
223.10913	44.3
224.11327	1.7
257.04642	4.1
257.09717	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55679	1.8
57.03442	7.5
64.44720	2.1
65.00330	14.8
69.03469	4.2
71.01388	2.6
71.05017	21.1
71.26218	2.1
72.15514	2.1
78.30647	2.5
79.50194	1.9
83.05050	3.7
97.02969	5.9
97.06592	17.5
99.00898	19.3
101.11057	2.3
108.07758	2.1
108.99323	2.4
109.06628	2.4
123.08145	11.7
125.09731	100.0
126.10036	2.6
130.92567	1.8
131.24599	2.0
153.09221	5.7
153.12839	3.3
154.75343	2.1
163.11270	22.7
181.12361	54.4
185.39948	2.3
195.13904	3.8
207.10304	38.1
211.13425	2.0
213.05557	3.0
225.11334	73.5
239.12860	2.5
257.04617	15.2
257.06854	2.2
257.08301	2.8
257.13931	34.3
257.17609	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	258.1138
Annotation	Norsanguinine
Peak:m/z	Relative Intensity
58.15453	1.3
61.98814	1.5
69.38545	1.4
82.28819	1.2
97.02921	2.2
107.05025	4.6
109.02928	1.5
114.59718	1.5
121.06598	6.1
125.02406	1.6
131.05016	3.9
145.05362	2.9
147.04552	2.2
148.07710	3.3
158.06097	7.5
172.07675	1.7
173.06114	1.5
182.06165	3.5
186.05624	11.1
187.06404	100.0
188.06786	3.2
198.09250	2.6
200.07179	33.2
203.15794	1.6
211.07617	1.5
212.10844	6.6
213.09238	28.5
216.10301	35.9
217.10648	2.3
219.84549	5.1
221.84267	8.0
231.10196	1.5
240.10315	22.0
243.09061	12.1
258.11374	93.8
259.09647	4.8
259.11963	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	259.0228
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
59.01377	0.2
62.96416	0.2
69.99372	0.2
69.99709	0.3
71.01416	0.3
77.98047	0.1
78.95911	100.0
90.29467	0.1
96.96970	67.5
97.51359	0.1
101.02467	0.5
105.54937	0.1
138.98033	4.0
150.98096	0.3
168.99084	1.9
178.96048	0.4
196.92606	0.3
198.90555	0.8
199.00131	1.8
214.93726	0.5
216.90639	1.8
217.90706	0.2
223.00192	0.3
240.91641	0.8
241.01216	1.6
257.00064	0.1
258.92328	1.1
259.02249	24.2
260.02594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59446	1.5
59.01380	16.8
81.03460	7.0
83.05016	3.9
88.88795	1.5
91.05537	6.2
96.87498	2.0
107.05034	1.7
108.02229	3.1
109.02958	14.3
119.05036	3.0
121.06580	2.3
122.03753	9.2
123.04482	4.6
129.07037	1.7
133.06618	7.1
134.03754	24.4
135.04576	9.0
136.05254	2.0
137.06099	8.7
137.09720	6.5
145.06564	9.1
146.03741	6.5
147.04543	100.0
148.05347	10.6
149.06104	57.3
155.10805	82.1
157.06660	3.3
159.04507	5.0
160.05325	3.1
161.02377	3.9
161.06055	2.5
162.03255	9.9
163.03908	1.6
171.08153	7.1
171.10304	20.1
172.05229	2.8
173.02443	2.0
173.06094	5.4
174.03214	4.2
175.04028	16.6
175.07602	3.0
176.04796	48.5
177.05585	56.5
178.05818	4.7
181.06586	6.1
181.08650	1.6
182.07327	1.6
185.06082	2.5
185.09674	4.4
186.07024	2.4
187.04045	3.3
187.07602	2.0
187.11334	14.0
188.04785	4.3
189.05548	3.7
195.08138	3.0
197.06096	4.2
197.09755	13.6
198.06851	6.8
199.03995	2.8
199.07697	7.6
199.09753	29.3
200.04800	4.7
200.08392	6.6
200.74925	1.8
201.05516	4.4
202.06450	8.8
203.03566	2.3
203.07191	3.0
203.10718	2.0
204.04230	3.9
211.07666	1.9
212.08458	13.8
213.09227	18.2
213.11249	2.1
214.06439	9.4
215.10757	4.6
216.07942	4.5
217.10811	73.4
218.11043	2.7
223.07640	2.7
225.05539	3.9
226.06390	17.5
229.04933	4.9
229.08620	10.1
231.10217	13.5
241.08708	63.1
242.09251	5.4
244.07437	20.9
259.02631	2.5
259.09723	83.8
259.11942	6.9
260.10132	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	259.0976
Annotation	Tristin
Peak:m/z	Relative Intensity
53.78965	2.5
61.41419	2.1
65.00371	2.8
68.40254	2.2
69.33070	13.3
78.08643	2.4
101.18669	2.2
112.98793	7.4
117.03468	4.2
119.05051	5.5
133.02882	2.3
143.05022	6.5
143.45168	2.4
161.02441	2.8
173.02356	2.6
173.95967	2.6
176.89917	2.6
179.10822	4.5
187.03992	5.7
189.01935	69.7
190.02318	5.1
201.01950	88.0
203.03529	3.6
215.03493	8.2
221.84224	9.5
223.83934	4.1
225.05647	5.6
227.07138	19.2
229.05104	12.4
243.06610	20.7
244.07411	100.0
259.02353	3.0
259.06830	4.9
259.09738	98.5
259.12610	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	259.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39109	0.9
55.01879	1.5
65.03947	1.1
69.28431	4.2
79.05550	1.0
81.03461	7.1
83.05051	2.5
91.05534	7.2
93.03459	1.7
95.05064	1.5
107.05045	1.8
108.02174	2.3
109.02972	12.8
109.06542	1.1
111.04589	0.9
119.05037	5.0
121.02917	2.4
121.06609	3.3
122.03760	10.7
123.04534	3.8
125.02491	2.0
131.05072	0.9
132.02190	0.9
133.03040	0.8
133.06599	7.5
134.03757	28.5
135.04556	10.2
137.06091	9.5
143.05016	1.4
143.08681	1.0
144.05731	1.1
145.03036	1.0
145.06624	9.7
146.03781	7.5
147.04538	100.0
148.05344	9.8
149.06096	56.1
150.06395	1.6
155.04968	0.9
155.10780	2.3
157.06598	3.3
159.04535	5.8
159.08182	1.7
160.05321	2.2
161.02495	2.0
161.06085	3.8
162.03242	10.3
163.03992	2.1
169.10269	1.5
170.07417	1.6
171.08211	7.0
171.11868	0.9
172.05334	3.9
172.08871	1.1
173.02457	2.1
173.06094	6.6
174.03229	3.9
174.06900	2.2
175.04027	18.6
175.07547	1.1
176.04800	46.4
177.05585	55.6
178.05914	2.0
181.06601	6.1
182.07405	1.7
183.04514	1.0
183.08063	0.9
185.06076	3.4
185.09724	3.5
186.03276	1.4
186.06735	1.3
186.74532	0.9
187.04015	5.0
187.07697	1.9
187.11316	9.3
188.04773	3.5
188.08427	0.9
189.05598	3.9
195.08243	1.8
197.06068	4.7
197.09724	12.1
198.06898	6.4
199.04033	2.8
199.07686	7.2
199.09357	1.3
200.04756	5.8
200.08453	6.6
201.05600	8.2
202.06352	7.0
203.07149	4.6
203.10828	3.4
204.04269	4.1
209.06143	1.4
211.04100	2.1
211.07635	2.7
212.05063	0.9
212.08440	13.9
213.05656	1.4
213.09216	17.9
214.06371	11.5
214.09668	1.2
215.07072	1.9
215.10640	4.4
216.07922	5.7
217.08685	1.1
217.10634	1.6
223.07687	5.8
225.05673	4.7
225.87483	0.8
226.06354	19.6
227.06920	2.2
229.05052	3.6
229.08667	10.9
231.10283	10.8
239.07219	1.4
240.07936	1.8
241.08713	69.7
242.09367	6.5
243.06569	0.9
244.07407	17.7
259.09756	89.5
260.10074	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	259.0976
Annotation	9-Hydroxydehydrozaluzanin C
Peak:m/z	Relative Intensity
57.03431	2.5
58.06086	1.2
66.59425	1.4
69.03471	7.7
69.03771	1.5
72.45042	1.4
81.03459	6.5
83.05020	7.0
93.03477	6.4
95.05038	25.6
96.96941	1.6
97.02959	48.2
99.04517	3.3
107.05042	21.4
111.04532	3.4
120.05787	1.5
121.02956	3.1
121.06611	1.5
125.02448	3.1
129.07091	2.3
131.04988	4.0
133.06612	8.5
145.06657	3.3
147.04523	14.7
147.08130	1.8
148.98068	1.5
151.04022	1.6
155.08701	2.5
157.06602	1.7
159.04524	2.4
159.08159	21.3
161.06087	4.3
169.10242	3.6
170.07365	2.8
171.08121	3.1
172.05286	1.6
173.06085	4.2
177.05641	1.4
179.08771	1.6
183.08151	18.4
184.08566	1.5
185.09787	7.7
187.11307	16.2
188.04855	3.5
195.08131	5.4
195.15320	1.2
197.06178	2.5
197.09729	17.9
198.06859	2.7
199.07730	2.2
201.05620	4.1
201.09203	3.2
203.10797	3.2
210.06975	1.4
211.07637	38.4
212.08084	2.3
213.09224	38.8
215.10753	16.6
223.07639	6.7
224.42882	1.2
225.05437	1.8
226.06328	7.9
228.86612	1.4
229.08670	5.9
231.10262	10.7
241.08708	72.7
242.09058	5.0
259.09750	100.0
260.10159	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	259.0977
Annotation	Merrekentrone C
Peak:m/z	Relative Intensity
62.83447	0.3
70.81077	0.3
93.54584	0.3
97.06598	6.7
107.18060	0.3
112.98827	0.6
117.03510	0.4
119.05048	0.6
132.02214	1.7
133.02968	29.3
134.03255	0.5
135.04562	1.0
143.04996	0.6
150.67198	0.3
161.02457	100.0
162.02811	2.5
178.92485	0.3
181.06197	0.4
187.04008	1.1
221.84271	1.1
222.84222	0.4
223.83949	0.6
259.02560	0.4
259.09750	1.6
267.76624	0.3
284.09720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88691	0.6
59.01383	17.3
125.09729	0.9
127.11323	0.8
131.67755	0.6
137.09726	8.9
146.00192	0.6
147.04514	1.5
148.81944	0.6
149.06059	1.0
153.09206	0.8
155.10794	100.0
156.11125	2.4
171.10286	25.6
172.10591	0.8
176.04787	0.7
177.05603	1.7
181.08714	2.3
199.09772	34.3
200.10060	1.2
215.12878	1.4
217.10818	93.4
218.11110	3.2
241.08702	0.8
259.09705	1.4
259.11942	14.2
260.12329	0.8
271.42599	0.7
284.02866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1341
Annotation	Lacinilene C 7-methyl ether
Peak:m/z	Relative Intensity
59.77081	0.8
60.96062	0.8
62.33732	0.7
102.93793	0.9
112.98830	1.3
113.92874	1.0
117.03476	38.8
118.04282	10.3
119.05044	22.4
120.05523	0.8
121.02965	9.5
123.04541	2.6
133.02963	2.1
143.05026	1.8
145.02969	67.5
146.03271	1.8
162.03250	3.2
163.04005	8.6
187.04010	1.5
197.34225	0.9
259.13403	100.0
260.13678	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	261.1134
Annotation	Sudan Brown RR
Peak:m/z	Relative Intensity
53.90836	0.2
54.37194	0.2
58.89063	0.2
59.01390	0.9
61.14508	0.2
68.87173	0.2
69.50701	0.5
69.51089	0.4
77.94364	0.2
78.75301	0.2
83.23649	0.2
86.93628	0.2
91.05507	0.3
93.03480	0.2
93.75890	0.2
94.49268	0.2
98.19488	0.2
103.01526	0.4
106.04289	0.3
107.05068	0.9
115.33624	0.2
117.03490	0.4
118.94216	0.5
121.02977	0.4
132.02191	0.3
133.02968	17.4
134.03758	12.2
135.04538	100.0
136.04861	2.4
137.02452	2.4
139.04015	0.9
147.04536	0.3
148.05322	1.8
149.02408	0.2
160.01689	0.2
161.02460	27.2
162.02875	1.0
178.02704	0.7
179.03510	49.0
180.03836	1.3
191.03407	0.2
208.44246	0.2
233.56876	0.2
260.87534	0.4
261.11331	96.5
262.11676	4.6
270.60229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1134
Annotation	Chlorantene C
Peak:m/z	Relative Intensity
52.30714	2.3
55.01886	4.4
59.01383	6.7
69.03442	6.1
71.01385	3.1
71.05018	10.5
71.39131	2.5
73.02924	2.2
73.81425	2.5
81.03466	65.6
83.01404	8.3
83.05027	6.5
83.46008	2.2
84.02175	10.1
85.02958	16.5
87.04565	2.4
87.05674	2.9
95.05041	2.7
97.02961	9.8
98.03740	17.2
99.04538	61.9
107.05048	26.6
108.02189	3.4
109.02966	75.3
109.03712	4.7
112.04074	3.1
113.03427	2.3
120.05850	3.6
121.06620	5.0
122.03745	3.3
123.04552	3.3
124.01675	13.9
124.54505	2.8
125.02464	24.9
125.09782	3.3
126.03241	6.5
127.04053	19.1
133.06607	37.6
135.04524	12.2
135.08199	21.2
147.08168	3.8
149.06125	3.8
155.08286	3.1
161.06108	100.0
162.06526	3.3
163.07628	3.4
165.06718	2.7
171.98610	2.7
173.05995	4.4
175.07773	2.7
177.09218	4.6
183.07887	6.3
185.05983	3.2
187.07605	4.0
189.02072	3.8
189.05598	2.6
189.12901	6.5
193.20357	2.5
197.09723	3.1
212.04837	3.1
213.09172	17.3
215.10846	6.6
217.08749	2.5
217.12352	5.9
225.09264	5.7
227.06859	3.6
231.10321	7.3
233.11812	32.6
243.10320	21.8
261.02261	4.5
261.05820	8.2
261.11356	63.2
261.13776	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	261.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
59.01372	1.0
69.35207	1.0
79.84514	0.2
83.01401	0.2
85.06610	0.5
97.06605	2.4
98.22587	0.5
107.04992	0.3
117.03487	2.9
118.04209	0.2
119.05043	0.9
121.02940	0.5
121.06589	0.3
122.03809	0.2
124.48218	0.2
131.05038	0.4
133.03026	0.3
136.05252	0.3
137.06047	0.4
145.02969	9.1
147.08218	0.2
148.05275	0.2
149.06084	0.8
154.59167	0.2
161.02504	0.3
161.06122	0.2
161.51025	0.2
162.03206	0.4
163.07686	2.0
164.08437	1.2
173.06046	0.2
175.07683	0.4
176.08444	0.4
187.04025	0.4
187.07646	0.6
188.08379	1.1
201.05626	0.3
201.09209	1.3
202.06383	0.9
202.10017	2.5
203.07079	0.3
203.10802	5.7
204.11102	0.2
213.09236	0.5
215.07178	0.5
216.07936	4.6
217.08812	1.2
217.12340	3.6
219.13873	0.9
227.10750	0.6
228.11600	0.5
231.10277	20.7
232.10570	1.1
243.13843	1.1
245.11833	0.8
246.12631	25.3
247.12906	1.3
261.07736	3.5
261.14966	100.0
262.12396	0.3
262.15289	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	261.1497
Annotation	Paecilocin D
Peak:m/z	Relative Intensity
59.01389	3.2
66.73087	0.6
71.40789	0.7
83.01381	2.7
91.53078	0.5
92.36515	0.5
92.80202	0.6
100.90001	0.6
103.01480	1.0
105.23540	0.5
116.92930	0.7
117.03479	35.5
118.04279	10.2
119.05038	22.5
121.02970	8.9
123.04536	1.9
132.13840	0.6
133.03001	2.6
134.03784	0.7
135.04489	0.5
145.02968	56.0
146.03259	2.2
147.04495	0.7
154.99835	0.8
162.03238	3.6
163.04033	8.7
248.07843	0.6
257.31454	0.7
261.14975	100.0
262.15289	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	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84997	1.1
57.03444	5.8
59.01361	1.8
69.03464	7.2
70.02963	1.7
70.91048	1.7
71.01380	4.5
71.52531	1.3
75.00872	2.3
82.02975	1.5
84.04585	1.4
85.02957	72.6
86.06104	1.2
87.04512	7.2
94.03005	1.8
96.04559	100.0
97.02957	14.1
97.04910	1.6
98.02463	2.2
99.00902	4.7
101.02452	1.3
103.92044	2.5
108.04512	1.6
111.04502	2.6
112.04029	4.4
114.05666	1.7
115.04047	3.4
117.01932	1.2
122.02475	2.2
126.05642	2.0
128.03558	8.4
129.01962	14.4
139.03940	1.5
140.03595	8.0
141.01927	4.4
142.01454	2.8
145.96765	2.3
158.04585	18.6
159.02953	1.5
168.44846	1.1
172.02530	2.5
200.05673	3.2
202.03542	2.7
219.05054	3.5
251.45320	1.2
258.85651	1.3
262.05688	3.3
276.70117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22933	1.7
53.86004	2.0
59.01386	100.0
66.13177	1.7
70.18581	2.1
70.40292	1.7
71.39032	1.9
73.02928	2.4
82.03013	2.0
131.04932	1.9
149.05922	2.1
235.13182	2.0
247.04427	3.1
248.04839	1.9
263.05127	2.3
263.07635	16.7
263.12924	2.9
263.16574	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
59.01385	100.0
62.04616	1.6
69.03468	9.4
69.13044	10.9
71.01388	2.8
73.02944	3.0
79.95756	3.2
83.05019	4.7
85.02976	2.2
93.03470	2.6
99.04535	4.5
101.02427	2.3
107.05052	13.4
109.02943	2.8
111.04535	3.9
111.08165	2.7
112.01686	3.8
113.02488	13.8
121.06579	3.6
122.03746	9.4
123.04550	5.1
126.35666	1.8
133.06630	2.6
135.04504	2.4
135.08253	3.2
136.05307	5.6
139.07643	8.5
144.72130	1.7
149.06087	13.5
149.09625	1.9
151.04057	4.0
151.07675	24.1
159.04523	2.2
159.08173	4.1
161.06078	2.2
163.07683	5.6
175.04036	3.9
175.07660	5.1
175.11288	6.1
187.04027	3.0
188.04803	3.2
189.05592	4.2
199.07640	2.8
201.09244	6.3
201.12944	1.8
202.06342	3.2
205.05064	2.2
206.05893	19.3
219.06639	2.5
219.10240	3.1
219.13887	5.9
230.09395	2.5
231.03088	1.7
235.13403	3.6
245.11819	10.8
248.10378	2.8
263.03781	11.8
263.09659	4.4
263.12866	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	263.096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99619	4.0
59.01381	6.5
69.13206	0.8
69.13627	2.7
81.93957	0.4
82.56218	0.4
87.00879	3.9
87.02734	2.6
87.86931	0.4
92.33652	0.4
96.96024	1.1
103.22334	0.5
110.60855	0.5
115.05863	0.9
123.19912	0.4
125.43593	0.5
131.05376	1.4
133.06943	100.0
134.07268	1.5
156.60257	0.4
193.08766	1.0
203.07498	4.7
208.60582	0.5
221.08540	15.7
263.09552	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	263.1289
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
54.48504	1.5
57.03449	4.5
59.01383	4.6
68.16116	1.7
71.01385	5.2
83.05025	4.4
90.48885	2.1
93.07135	2.0
95.05052	2.2
97.02954	12.5
97.06590	2.1
98.22684	4.4
102.39139	1.8
105.07113	9.0
107.05065	2.0
108.05836	7.9
109.02975	7.6
109.06627	4.0
111.04524	14.0
113.06104	7.6
119.08685	5.6
121.06586	3.5
122.03758	19.0
123.07342	2.3
123.08105	9.2
125.06097	27.2
134.78366	1.8
135.08186	3.8
136.05319	18.0
137.06129	7.2
138.06860	20.3
139.07674	36.3
145.02997	4.6
148.05313	10.5
149.06110	3.5
151.07660	74.3
152.04828	9.3
152.08444	28.5
153.09212	20.5
159.11838	5.0
161.02512	2.0
161.09779	9.1
163.07642	14.3
164.08321	1.9
167.07175	3.1
171.08119	3.2
175.11400	2.3
184.50552	1.7
185.09669	3.5
186.10533	3.1
188.08495	3.3
189.09215	8.3
201.12866	32.8
203.10750	25.8
204.11562	67.0
205.11862	3.2
219.13913	100.0
220.14317	6.2
245.11880	2.8
255.05380	1.8
262.99069	1.8
263.09482	1.7
263.12836	10.8
263.15915	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	263.129
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
50.42136	0.2
54.79298	0.2
69.71436	0.4
69.71820	0.4
93.03456	0.3
99.08165	0.4
106.04276	0.3
107.05061	0.3
117.03506	0.2
121.02982	1.4
132.02237	0.2
133.02966	18.8
134.03757	17.5
135.04539	25.6
136.04889	0.6
137.02452	5.5
139.04073	1.8
144.03424	0.3
150.03264	0.7
151.79831	0.2
159.89113	0.2
161.02458	30.5
162.02725	0.7
178.02725	2.0
179.03511	10.9
219.13890	0.3
263.12900	100.0
264.13242	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	263.1653
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,5,6,7,8,9-Hexahydro-4-methoxy-3,4a,5-trimethyl-naphtho[2,3-b]furan-8a(4aH)-ol
Peak:m/z	Relative Intensity
57.03462	0.5
58.00596	0.4
59.01379	1.3
66.48557	0.3
68.53799	0.3
69.41742	1.3
71.01399	0.6
83.05016	0.5
85.02957	0.5
85.06591	0.4
87.04526	1.2
95.05019	0.7
95.08595	0.3
97.02945	0.3
97.06596	3.0
99.08161	0.9
101.64563	0.3
105.05546	0.3
107.05032	1.0
107.08608	0.4
109.06568	0.8
111.04537	0.5
119.08642	0.4
120.05903	0.3
121.02976	0.3
121.06593	0.8
121.10312	0.3
123.08173	0.7
124.05306	0.3
125.06084	1.0
126.06917	0.6
127.07671	2.1
135.04550	0.4
135.08173	0.9
137.06073	0.4
137.09727	7.6
146.07378	0.8
147.08156	1.8
149.06171	0.5
149.09741	0.9
150.06895	0.4
151.07657	0.5
159.08209	0.6
161.09735	1.2
162.06880	0.7
165.09222	5.9
175.07805	0.3
175.11244	1.9
177.09193	2.5
178.05008	0.3
179.07143	0.5
180.07932	9.8
181.08237	0.4
183.11882	0.3
184.08948	0.4
185.09761	0.4
187.11276	0.3
194.09488	4.3
195.10287	5.7
199.07607	0.3
199.11253	1.3
201.12863	5.1
205.12320	0.8
214.10098	0.5
215.11021	0.3
215.14435	0.3
217.15990	22.8
218.13150	1.3
218.16360	1.0
219.13980	0.5
227.14377	0.7
229.12347	1.0
230.13089	0.8
231.10318	1.2
232.11028	0.9
233.11874	0.7
233.15434	2.0
235.17024	0.9
245.15451	4.0
247.13435	3.7
248.14191	35.1
249.14368	1.4
263.16534	100.0
264.16879	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	263.2018
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.41792	0.6
54.25607	0.6
57.10508	0.7
59.01368	2.1
67.86677	0.7
71.01414	0.8
85.70346	0.7
88.94033	0.7
98.22610	2.2
117.14439	0.7
147.04510	0.8
263.20178	100.0
264.09973	0.8
264.20523	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	264.0877
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.02564	0.4
52.01904	0.5
54.02271	0.4
62.24035	0.4
63.12751	0.4
69.58224	1.2
70.02984	0.5
72.04549	21.3
82.02988	100.0
83.03336	1.1
98.02486	32.5
98.22390	1.5
100.04055	38.9
106.04267	1.6
119.05035	40.7
120.05391	0.9
122.18889	0.4
192.10349	6.1
206.89851	0.4
218.08250	7.1
219.08669	0.5
220.09810	18.1
236.09221	0.7
264.08780	45.2
265.09152	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	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
53.42827	0.6
57.38993	0.5
60.81794	0.6
66.42913	0.6
69.36868	2.1
69.37264	1.0
72.04552	22.5
72.17035	0.6
73.04064	1.3
73.07831	0.6
77.28154	0.6
79.49725	0.6
82.02991	100.0
83.01398	0.7
83.03339	1.3
98.02486	31.4
98.21861	1.3
100.04056	38.2
105.46720	0.6
106.04285	0.7
106.11436	0.7
107.05100	0.7
119.05035	40.3
120.05341	0.7
136.07715	0.8
157.99602	0.6
177.09612	2.3
192.10320	6.3
196.62395	0.7
213.92432	0.7
218.08247	9.5
220.09805	17.6
236.09355	1.0
264.08792	42.2
265.09064	1.9
265.11804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.088
Annotation	CAY10487
Peak:m/z	Relative Intensity
59.01365	0.3
59.95304	0.2
63.13252	0.2
69.25236	1.6
72.04558	0.5
76.51145	0.3
79.95754	0.9
80.96503	0.3
82.02988	1.3
89.29482	0.2
92.48065	0.2
96.99307	0.4
98.02502	0.8
100.04092	0.6
102.05618	3.3
107.04993	0.7
119.05054	0.7
128.03568	0.9
133.02946	0.9
134.03795	1.7
135.04538	100.0
136.04892	2.3
136.07658	0.3
150.05635	0.5
160.04048	0.4
161.02489	1.3
163.44647	0.2
166.05112	3.6
183.08162	1.1
196.59360	0.2
205.03709	0.3
217.52214	0.3
218.08167	0.3
218.51437	0.3
220.06204	0.9
220.09869	0.4
247.04308	0.2
264.08789	5.7
265.01901	0.7
265.05420	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01366	1.0
70.94803	0.7
71.01373	3.1
71.11118	0.5
73.02952	1.1
73.54381	0.5
75.40604	0.4
83.01405	0.5
85.02947	1.4
93.03443	1.0
99.00858	0.8
99.83544	0.5
101.02452	14.3
107.01395	1.0
111.00864	0.7
117.03476	1.6
119.03556	24.5
119.05032	68.8
120.03853	0.6
120.05351	2.1
133.02992	0.9
134.03734	4.5
135.04514	0.8
137.02437	0.7
139.00377	0.8
145.02962	7.9
149.06096	1.3
151.00359	0.5
151.04155	0.7
153.05556	0.6
160.01703	1.0
161.02463	0.9
161.06050	0.6
163.04021	100.0
164.04361	3.8
175.03903	0.7
177.05608	0.5
178.02721	2.1
192.98468	0.5
193.05061	5.6
205.04959	0.6
206.02072	0.6
221.04648	0.5
221.08234	0.7
250.04994	0.6
265.04813	0.7
265.07239	3.3
265.10690	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	265.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42543	1.3
55.45913	1.5
57.03441	2.9
59.01391	1.5
61.26804	1.7
69.23184	1.7
71.01384	3.5
71.41640	1.7
73.02981	1.9
76.91233	1.5
78.95928	5.8
79.69311	1.4
96.53045	1.4
98.45370	1.3
101.02445	13.3
117.03488	8.0
119.03526	100.0
119.05012	60.4
120.03879	1.6
133.02972	1.9
134.03772	2.4
145.02969	28.8
148.58347	1.5
155.06059	1.4
163.04021	93.3
164.04387	3.0
214.20737	1.5
223.13481	3.7
237.15013	5.3
265.14514	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	265.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32877	0.4
56.39256	0.4
56.98052	1.1
58.99607	100.0
63.96234	2.3
66.72785	0.5
69.15550	3.0
72.99313	5.1
73.98330	2.2
74.99104	40.9
75.69686	0.4
82.30775	0.4
86.57835	0.4
87.00880	6.4
106.96531	0.5
117.97327	2.0
118.98079	0.8
135.98410	4.6
136.99155	23.3
141.07475	0.8
147.01239	1.9
159.08560	0.7
163.04030	0.6
177.09555	8.9
230.98474	0.5
247.10066	3.2
265.06799	1.0
265.11160	27.1
266.11444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1235
Annotation	Magnolol
Peak:m/z	Relative Intensity
54.56569	0.4
57.94764	0.4
59.01384	0.4
69.95610	1.1
72.99247	0.4
96.95406	0.6
96.96019	6.8
129.21686	0.4
141.02711	0.4
157.82121	0.3
174.07169	0.3
201.78862	0.3
223.07600	0.8
224.08258	0.4
224.34102	0.4
234.74211	0.4
245.09702	6.9
247.11281	17.9
248.11574	1.0
264.94507	0.5
265.12344	100.0
265.14642	4.4
266.12698	5.7
266.15302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16777	0.3
71.04969	0.5
74.29460	0.2
79.95735	2.4
91.00727	0.3
95.09383	0.3
96.96018	100.0
108.52866	0.3
181.26993	0.3
265.14795	70.9
266.15109	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91539	0.3
65.00329	0.5
65.33549	0.3
69.68927	0.8
79.95749	2.0
95.95232	0.5
96.96018	100.0
112.18797	0.3
118.79180	0.3
125.02396	0.3
133.02991	0.4
136.00363	0.4
149.02364	0.4
156.84085	0.3
163.09253	0.3
174.80675	0.3
198.17610	0.3
265.14795	72.0
266.15112	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	265.181
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
55.23252	1.0
57.12407	1.1
59.01383	100.0
64.18449	1.0
72.08638	1.2
73.36699	1.2
76.43480	1.1
96.96026	6.8
110.93489	1.0
122.10830	1.1
184.01015	1.3
251.62894	1.2
265.14880	5.2
265.18079	44.9
266.18503	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	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01375	5.4
61.38961	1.5
66.57522	1.5
69.03450	1.8
80.53149	1.5
83.05029	2.6
96.96008	9.5
97.06601	6.1
117.95789	2.0
121.10228	17.1
133.75092	1.7
143.07150	24.8
167.10773	13.8
177.12869	5.0
181.71939	1.8
195.10312	4.2
202.80916	1.9
203.10808	2.8
203.18065	4.5
205.41132	1.6
221.11917	3.5
247.13467	5.7
247.17058	21.4
265.14865	7.5
265.18106	100.0
266.18484	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	265.2174
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
53.47603	0.8
59.01387	1.0
70.93697	1.1
70.94034	1.3
78.33788	0.8
81.03463	100.0
82.03793	1.2
83.05035	1.4
83.91155	1.1
96.96018	34.0
97.02971	3.3
109.02959	3.9
110.03749	82.2
111.04564	7.8
125.02394	1.0
142.02698	3.0
149.02495	1.5
181.16034	1.1
183.17564	22.4
184.17918	1.5
221.19147	1.7
235.17131	1.2
235.20677	2.2
237.22171	3.0
247.20677	2.9
265.14792	26.3
265.21738	88.2
266.22064	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2175
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
58.73488	1.7
59.01386	2.6
96.96020	85.4
125.82753	1.6
139.01456	1.5
156.97836	1.9
213.25978	1.6
265.00064	2.7
265.11945	3.8
265.14783	68.3
265.21729	100.0
266.22018	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.63034	0.1
65.01470	0.2
69.10181	0.9
84.16188	0.2
92.02555	1.7
95.23846	0.2
107.03643	5.5
119.37643	0.2
134.04739	100.0
135.05186	1.3
136.88579	0.2
146.21880	0.2
185.69591	0.2
196.63715	0.2
266.08951	7.2
266.90329	0.2
267.09265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1036
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
51.27602	0.7
51.40664	0.7
52.01900	1.1
61.25651	0.7
66.65106	0.6
70.46483	1.4
72.04559	7.8
79.31722	0.7
82.02991	93.6
83.03311	0.9
84.04561	1.6
85.02961	11.5
90.28201	0.7
98.02473	3.6
100.04057	49.5
101.02471	3.4
101.04404	0.7
102.05673	0.8
105.79886	0.7
114.88598	0.7
119.05042	37.9
120.05384	1.6
128.03549	19.4
129.01955	6.6
192.10294	2.4
204.10338	1.0
220.09808	51.0
221.10193	1.4
246.98915	0.8
248.06757	1.2
248.09288	21.4
266.10349	100.0
267.10672	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	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14875	0.4
59.01383	10.5
60.03975	0.4
65.00327	2.7
71.01391	4.3
72.99311	3.2
75.00881	4.7
82.02991	1.2
83.03333	0.7
85.02958	1.6
87.00887	3.3
89.02451	3.9
100.04052	0.7
101.02419	2.3
105.01942	100.0
106.02290	1.1
109.02982	0.6
113.02460	1.3
119.03536	1.6
119.05012	0.5
133.02979	8.5
134.03773	4.4
135.04546	5.7
136.98828	1.9
145.02971	1.0
149.06085	1.8
151.03987	0.7
151.36194	0.5
157.09790	0.4
161.02460	36.7
162.02826	1.1
163.00278	0.7
179.03517	1.9
193.05095	1.1
221.04543	0.4
221.10103	0.6
239.03487	5.7
249.09605	0.5
267.02945	5.4
267.07193	7.6
267.10672	1.6
268.03714	2.3
268.06195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0738
Annotation	Inosine
Peak:m/z	Relative Intensity
57.81946	0.2
59.01390	1.5
65.00322	0.6
69.23539	1.4
71.01385	1.2
73.04077	1.1
78.95911	0.3
80.03767	0.2
81.04585	0.6
85.02972	0.2
87.00887	0.3
89.02442	0.5
92.02547	6.0
93.04595	0.3
99.00903	0.2
101.02444	0.5
105.01950	0.6
108.02038	3.3
108.05679	0.2
110.07246	0.9
113.02518	0.3
117.02230	0.2
119.03490	0.3
119.05006	0.2
124.98447	0.7
125.00922	0.3
126.03115	1.7
129.10338	0.2
130.08733	1.5
131.04535	0.3
134.04745	0.4
134.76929	0.2
135.03143	100.0
136.03522	1.6
136.98824	0.5
145.02971	0.4
149.04732	0.3
151.02631	0.5
161.04527	0.3
163.00439	0.3
166.99527	0.7
167.63626	0.2
180.06760	0.3
193.09773	0.3
206.95499	0.2
223.15614	0.6
237.08908	0.9
239.03531	1.3
267.03308	1.5
267.07352	36.5
267.14499	1.9
268.03793	1.2
268.07587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61507	1.0
58.15098	1.1
59.01385	100.0
63.35247	1.1
70.33855	2.5
70.34203	1.0
71.01388	8.3
71.31109	0.9
73.02958	1.3
74.80303	1.1
83.01397	1.5
85.02972	2.2
89.02435	5.1
98.22458	1.4
101.02454	8.7
105.05563	1.7
110.81034	1.0
113.02467	3.9
119.03506	1.2
123.02012	1.8
135.03128	4.2
154.20715	1.5
157.45135	1.1
157.61674	1.0
161.04509	2.2
200.92183	1.2
207.08740	3.4
267.10785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Baicalein
Peak:m/z	Relative Intensity
51.02381	0.3
57.45356	0.3
63.02420	0.3
65.00323	2.8
67.01889	3.3
68.99811	1.1
71.36332	0.3
77.14766	0.3
77.46786	0.3
95.01394	2.4
96.99283	0.3
101.03987	1.4
110.00078	0.4
111.00903	0.7
115.05545	0.4
117.03455	0.7
123.00924	0.6
127.05543	1.1
132.94942	0.3
136.98808	2.8
139.00395	2.1
139.05482	0.5
141.07098	1.6
143.05034	0.9
144.90704	0.3
145.02950	0.4
145.06618	0.7
151.05527	0.6
153.07089	0.7
155.05080	1.6
157.06575	0.7
158.12999	0.3
164.01001	0.3
164.98297	1.7
166.99826	1.0
167.05009	0.8
169.06606	4.6
171.04532	8.9
173.06099	1.3
181.06619	1.4
183.04449	0.7
185.06100	1.3
186.95703	0.4
195.04437	1.6
197.06094	13.4
198.06470	0.3
199.04025	2.8
201.05592	1.0
211.04161	0.4
213.05556	4.3
217.05005	0.4
223.04028	1.9
224.04784	1.2
225.05573	5.3
227.03348	0.5
239.03491	1.1
240.04294	1.3
241.05078	4.8
242.08301	0.4
251.03488	0.4
263.49597	0.3
269.04550	100.0
269.21216	1.1
270.04950	5.4
270.07751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37060	0.4
59.01386	1.0
61.90399	0.3
65.00019	0.7
65.00336	7.0
67.01914	0.4
69.61521	1.5
70.56001	0.4
71.01392	0.7
81.03445	0.4
92.99833	1.0
95.01402	6.5
96.99335	1.3
97.03088	0.4
109.02978	1.9
120.99316	0.8
122.00126	0.7
123.00894	34.5
124.01237	0.6
131.70688	0.4
135.04552	1.0
136.98825	3.4
137.02452	5.5
138.03244	12.9
139.00380	0.8
141.07022	0.5
153.04463	0.5
153.05595	5.5
155.03528	0.8
164.98318	9.1
165.01949	0.5
166.99872	35.5
168.00168	0.7
169.06564	0.9
171.04669	0.7
181.01411	3.3
182.02226	84.1
183.02551	2.1
195.04559	0.5
195.06720	0.5
196.03793	1.2
197.04562	100.0
198.04918	2.7
199.04022	0.7
213.05673	0.4
223.04117	0.8
225.05634	0.4
227.03572	0.6
241.05020	1.1
242.08243	0.6
254.04318	1.6
269.04517	23.6
269.06790	5.1
269.21457	0.6
269.24634	0.5
270.04861	0.8
270.07617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76938	0.4
59.01401	0.6
59.54817	0.4
62.33622	0.4
65.00325	2.5
70.74610	0.7
71.01413	0.4
81.03490	0.6
95.01399	6.6
95.01923	0.6
96.99332	0.6
109.02981	1.3
122.00148	0.8
123.00900	34.7
135.04491	2.1
136.98857	1.3
137.02467	5.6
138.03246	14.5
139.00409	0.5
153.01974	0.4
153.05594	5.4
155.03432	0.7
164.98311	2.5
166.99884	35.3
168.00333	0.8
171.04533	0.4
181.01443	3.3
182.02240	84.5
183.02550	2.6
197.04573	100.0
198.04909	2.5
203.91364	0.5
239.02092	0.8
254.04277	1.2
269.04431	6.5
269.06711	5.9
270.07571	0.8
288.77158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Strobopinin
Peak:m/z	Relative Intensity
62.96415	1.4
65.00340	1.0
67.91797	0.3
69.65981	1.2
73.99580	0.3
75.59493	0.3
93.03473	1.2
106.04252	2.1
108.02180	0.6
109.02966	0.5
111.00894	0.9
121.02972	4.1
123.00888	0.4
132.02197	0.6
133.02966	26.5
134.03752	72.9
135.04085	1.5
136.98831	1.1
137.02454	24.2
138.02821	0.5
139.04016	7.8
149.02493	1.1
150.03203	2.0
156.12079	0.3
158.46269	0.3
161.02454	14.1
162.02942	0.4
164.98312	1.0
165.01956	0.7
169.06650	0.7
171.04433	0.4
178.02722	20.9
179.03018	0.4
186.95619	0.4
195.04539	0.4
197.05977	0.4
199.04057	0.4
213.05606	0.3
223.03915	0.4
225.09290	0.9
241.05031	0.7
251.03442	0.6
269.04666	12.6
269.08182	100.0
270.05191	0.6
270.08536	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	269.1297
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.92402	0.4
59.01388	0.5
59.86950	0.3
62.96426	0.6
65.00331	4.4
67.01901	0.6
68.99841	0.4
69.67535	1.1
70.54707	0.3
92.99827	0.4
94.02991	0.5
95.01411	0.9
96.99338	0.9
101.04012	0.4
120.04578	2.7
123.00893	0.7
134.06108	0.5
136.07678	0.5
136.98824	3.7
139.00392	1.4
141.07201	0.7
143.05046	0.5
152.01157	1.0
154.06424	0.7
161.56648	0.4
164.98299	3.1
165.00667	0.7
166.99986	0.5
167.05002	0.5
167.14439	0.7
169.06622	2.0
171.04550	1.4
185.06049	0.5
186.95583	1.9
195.04507	1.5
197.06073	2.2
199.03966	1.0
210.09422	0.4
211.08757	4.1
211.13399	1.3
212.06013	0.3
212.09464	0.6
213.05609	1.2
223.04073	2.0
225.05441	0.6
225.10330	6.2
226.10739	0.7
226.12474	1.3
236.09560	0.7
239.08279	4.4
240.08949	0.8
241.05121	2.2
241.13516	3.3
242.08281	1.1
251.03513	1.3
251.11914	0.7
252.04060	0.4
253.09879	2.8
254.10617	18.7
255.10887	0.8
269.04590	44.1
269.12961	100.0
269.20804	2.3
270.04883	2.5
270.07742	2.6
270.13367	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	270.0773
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
61.00202	0.7
65.00329	4.7
65.34381	0.7
65.99840	1.3
66.00641	2.3
68.99800	1.0
69.43420	3.5
80.01435	0.9
82.02975	1.3
88.88964	0.6
93.01665	0.6
94.02995	0.9
95.01354	1.5
96.00891	1.7
96.99310	1.0
98.02525	1.6
108.00951	0.7
108.99299	0.8
110.02487	8.1
110.35747	0.7
111.00909	0.7
111.53917	0.7
122.02506	3.5
123.03278	10.3
124.00428	0.7
124.01649	1.6
126.05553	0.6
134.02487	8.6
135.03291	8.3
136.00418	6.6
136.98801	2.1
137.99170	1.4
138.01996	4.1
145.15704	0.8
151.02771	7.8
155.02197	1.7
164.98305	3.5
165.00555	0.9
165.98630	3.1
166.01480	3.3
171.08209	0.9
173.06050	1.5
179.02196	0.7
192.03020	5.8
197.06181	0.9
200.07167	2.3
224.07159	1.2
226.08733	2.5
227.06993	0.9
228.06638	2.4
242.08241	65.7
243.06503	2.3
243.08557	2.6
252.06589	2.0
269.21118	0.9
270.04874	16.1
270.07687	100.0
271.02466	0.6
271.05914	3.0
271.08060	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	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52811	1.9
55.81120	1.8
58.02979	2.7
59.01384	3.3
65.00311	5.7
71.01385	8.0
72.99304	4.2
74.02465	4.8
85.03001	2.2
86.02486	3.8
95.01402	2.1
97.06561	2.5
99.00893	9.4
99.05659	7.1
109.06552	4.6
110.00030	1.8
111.00898	5.8
112.98831	9.6
115.00349	2.7
124.01653	15.2
125.09745	1.9
128.03545	14.4
136.98767	4.6
137.06104	2.5
139.00380	7.3
142.99811	3.7
143.04633	28.1
146.04633	2.3
152.01154	11.5
153.05579	6.8
155.07109	6.8
166.99870	2.6
167.07155	2.1
173.06129	4.1
174.01707	100.0
179.04649	3.6
184.15248	2.1
193.05052	5.2
210.08817	4.1
225.05621	4.1
243.06613	33.3
243.08804	4.1
244.06993	2.7
247.46764	1.9
253.05026	5.2
271.06049	62.1
271.15436	6.1
272.06299	4.2
272.08951	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61961	1.8
59.01386	2.8
61.00427	1.9
65.00313	8.6
67.01906	2.6
70.60320	2.1
71.01398	6.6
71.41152	2.2
72.99305	3.6
82.00558	1.9
83.01411	3.9
95.01408	3.4
95.05049	2.5
97.06613	5.0
99.00887	11.4
108.02137	3.8
109.01040	1.8
109.06593	4.1
111.00881	7.7
111.08173	2.2
112.98809	6.3
115.00398	3.1
115.56863	2.0
121.06532	2.2
123.00920	3.3
123.08186	3.5
124.01667	22.7
125.06080	2.4
125.09701	10.4
136.01662	3.5
136.98810	6.9
137.06090	3.7
139.00421	9.7
139.07668	3.2
142.99883	4.7
149.06134	3.4
151.11253	2.2
152.01157	11.3
153.05574	6.7
153.09196	4.2
159.53709	1.8
165.05612	4.4
165.12938	2.1
166.99869	5.9
173.01021	3.4
173.06038	4.3
174.01704	100.0
175.02107	2.9
185.06107	4.4
193.05067	5.9
197.08159	2.5
225.05583	6.9
227.07108	4.1
227.09203	2.0
227.12865	8.8
243.06619	45.7
243.08742	3.2
253.05013	6.2
271.06061	80.7
271.08307	19.0
271.15491	22.1
272.06354	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	271.1342
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
59.01358	1.2
69.88425	3.4
80.43449	1.1
88.04045	3.6
92.02706	1.4
93.03460	2.3
95.01402	1.7
101.57961	1.0
102.90580	1.0
104.04891	0.9
111.00887	1.7
117.03477	100.0
118.04280	45.3
119.05042	29.7
119.05911	1.2
121.02968	65.2
122.03304	1.0
123.04533	19.5
124.01640	1.9
133.02968	15.0
134.03758	5.0
139.00427	1.4
141.66753	1.0
145.03004	8.9
151.12762	1.1
152.01222	1.9
157.06648	1.1
157.27348	1.0
158.07327	1.8
162.03238	38.5
163.04024	49.2
225.22136	1.1
243.06456	4.9
271.03101	1.4
271.05911	8.8
271.13412	81.9
271.22824	35.0
272.13675	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93594	0.9
55.01877	1.0
57.03461	4.6
59.01385	30.2
65.00335	1.3
67.00475	0.8
69.03474	5.2
69.54949	3.6
71.01389	13.4
71.05045	4.3
71.05373	1.2
73.02943	2.4
74.99131	4.9
79.95723	2.5
81.03466	2.6
83.05025	4.8
84.02197	1.5
85.02958	10.9
95.05052	1.4
97.02950	1.5
97.06590	1.0
98.21854	1.7
99.00443	1.0
99.08158	2.7
109.06587	4.0
111.00914	2.0
111.04542	7.3
111.08164	9.4
113.06080	1.4
115.04019	34.8
121.06599	3.8
121.10249	1.0
124.01672	3.7
127.07660	2.5
128.03545	3.1
129.05562	1.6
129.09230	1.2
133.06589	1.7
136.98936	1.1
137.06122	1.6
137.09706	5.2
139.00386	2.0
139.07693	4.6
150.01801	2.4
152.01192	2.1
155.07173	15.9
155.10796	1.9
163.11270	1.8
165.12871	1.7
166.04826	1.1
171.07881	1.8
173.06075	1.2
173.08192	2.1
177.05576	1.8
181.12282	1.1
183.13881	2.6
191.14462	2.7
193.05952	12.1
197.02809	1.4
198.56624	0.8
209.11850	2.5
212.05000	1.7
225.05687	1.0
227.07341	2.2
227.12883	1.5
235.13434	3.3
243.06618	8.1
253.05096	1.6
253.10797	1.9
253.14478	7.1
271.03580	1.9
271.06174	23.5
271.09735	3.6
271.12225	6.1
271.15527	100.0
272.06177	1.8
272.15771	4.7
277.65845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48700	1.0
51.84933	1.0
53.74499	0.9
57.03437	2.5
58.00601	6.9
59.01384	37.6
59.33088	0.9
69.03458	3.3
71.01376	2.7
72.99313	1.2
73.02957	3.4
81.03452	1.5
83.01399	1.1
83.05033	2.8
84.02179	1.2
85.02889	1.1
88.02000	0.9
93.07098	1.1
95.05052	1.1
97.06597	19.0
99.08175	1.8
109.06580	5.3
111.04549	2.0
111.08170	55.7
113.06099	15.7
115.04073	1.0
118.15450	0.9
121.06619	5.8
123.08130	1.7
125.06163	1.6
126.16402	1.1
127.07660	6.6
135.08157	9.5
137.06085	3.8
137.09709	1.1
139.07671	14.4
141.05591	17.5
143.07138	6.2
149.16966	1.0
152.01039	1.1
155.07153	20.0
171.10249	2.0
173.08333	1.3
173.13322	5.6
183.10245	3.0
189.99214	1.1
191.14449	2.1
201.11418	2.4
225.05547	1.2
235.13477	1.7
243.06674	3.2
253.14374	7.6
271.02808	1.6
271.06137	7.5
271.15524	100.0
272.15869	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69071	1.1
54.42907	1.0
57.03456	1.8
58.00600	11.9
59.01384	28.1
67.64337	1.0
69.03453	3.5
69.28123	6.7
71.01402	1.6
73.02958	4.3
83.01410	1.4
83.05058	4.3
95.05048	2.1
97.06590	17.0
99.08164	1.4
105.80429	1.3
106.04266	2.0
109.06590	4.2
111.04546	1.6
111.08164	54.4
113.06096	13.8
119.04991	2.8
121.06638	6.8
124.01676	2.2
125.06121	1.5
127.07684	7.4
135.08174	14.0
137.06120	6.5
139.00409	1.5
139.07669	18.8
141.05577	12.7
141.30714	1.1
143.07153	4.4
152.01129	1.8
155.07146	30.1
173.08153	1.4
173.13335	9.3
191.14412	3.8
235.13481	1.5
237.27338	1.3
243.06532	6.2
253.14430	9.4
271.05951	7.2
271.15536	100.0
272.15964	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	271.2282
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
58.90238	0.4
59.07319	0.3
65.00313	0.7
70.63422	0.4
75.30445	0.3
78.40359	0.3
80.68252	0.3
111.00939	0.5
124.01679	1.2
131.59286	0.3
133.94887	0.4
136.98802	0.4
139.00342	0.4
152.01138	0.7
183.04816	0.3
197.19118	1.2
221.19144	1.4
223.20691	5.9
225.22264	74.2
226.22572	3.8
243.06618	2.4
243.08705	0.5
253.21733	1.8
269.21213	0.5
271.05994	4.1
271.22809	100.0
272.06540	0.4
272.23190	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	272.0558
Annotation	5-Methoxymaculine
Peak:m/z	Relative Intensity
50.01546	0.6
53.53955	0.5
58.47778	0.6
61.00436	100.0
67.03025	6.6
71.01400	0.8
83.02507	3.0
84.03300	1.8
85.02949	1.2
85.04070	3.8
86.02496	4.2
90.91788	0.6
100.92673	0.6
111.99621	5.0
122.64943	0.6
126.01169	6.1
136.99149	1.5
146.03627	0.8
153.02303	0.7
165.00990	10.9
166.01799	13.4
173.00941	1.0
174.01381	0.9
180.01768	0.7
180.03357	12.6
192.03384	0.6
201.05421	0.5
242.07480	1.3
244.06969	1.0
272.05600	43.7
272.08578	1.8
273.05801	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	272.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79940	0.3
59.01383	11.2
60.55118	0.2
68.97477	0.2
71.01405	0.2
72.00917	0.2
82.06619	0.2
84.08173	0.4
110.07280	1.0
110.84473	0.2
110.98607	0.2
117.00436	1.9
128.07190	2.9
129.04166	0.4
130.08748	100.0
131.09081	1.6
132.57652	0.2
159.01537	0.3
168.45934	0.2
168.99945	0.8
172.00958	0.6
174.02539	0.4
174.99272	0.3
206.65074	0.2
210.06233	0.4
212.07652	0.4
224.56334	0.2
228.07298	2.3
229.07541	0.3
230.06615	0.4
230.08864	7.3
231.08948	0.5
262.35651	0.2
272.09940	39.5
273.10141	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	273.0387
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.01400	0.1
62.96419	0.2
70.52175	0.2
71.01386	0.2
72.99294	0.1
73.02923	0.1
78.95911	100.0
83.01383	0.1
85.02956	0.6
87.00909	0.1
96.96969	5.5
97.02966	0.1
101.02476	0.1
110.98544	70.9
111.98894	0.3
118.23727	0.1
122.18394	0.1
125.00967	0.2
125.02444	0.2
127.05187	0.1
128.03510	0.2
141.00471	0.1
145.06212	0.1
157.03546	0.1
161.04588	0.1
179.05679	0.1
198.80946	0.1
223.00124	0.4
241.01213	20.7
242.01527	0.4
255.00014	0.1
273.03833	92.8
274.01242	0.1
274.04181	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
59.01365	0.6
59.76605	0.2
69.23755	0.6
69.24165	0.4
71.01338	0.2
73.02935	0.2
88.62474	0.2
91.48238	0.2
101.06084	0.3
115.04005	0.2
173.54477	0.2
185.06087	0.4
186.06876	2.7
200.04755	0.2
200.08363	0.2
201.09227	2.2
213.05583	1.6
214.06360	32.4
215.06673	1.5
229.08701	100.0
230.09036	5.3
242.30807	0.2
243.10275	0.2
245.08203	0.5
246.05344	4.8
258.12708	0.3
273.07718	2.2
273.14597	1.1
273.17227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1346
Annotation	oscr#7
Peak:m/z	Relative Intensity
53.89386	0.4
56.29479	0.5
57.03436	2.0
59.01364	2.0
63.51014	0.4
67.01884	0.8
70.47720	1.2
71.01385	3.5
71.05026	0.8
72.22714	0.6
72.41578	0.4
73.02946	0.8
76.62286	0.5
83.01370	1.0
83.05035	0.7
83.42017	0.4
85.02966	2.3
93.93705	0.4
98.22604	0.5
101.02446	1.5
107.27090	0.5
108.02190	1.3
112.01662	0.7
123.10319	0.5
125.09084	0.4
125.09744	4.4
127.11304	1.6
130.02805	0.5
130.08717	0.6
131.09068	0.8
133.63773	0.5
136.05309	0.6
141.09236	0.5
142.69821	0.5
144.18051	0.5
155.10745	0.9
155.14410	0.8
167.14445	1.1
171.10277	13.5
175.11391	0.6
183.13936	0.7
193.12358	4.2
199.09752	0.5
199.13370	1.4
201.11331	5.3
209.11819	4.2
211.13399	23.1
212.13655	1.1
213.11186	2.2
219.10266	4.9
227.12834	3.5
229.08684	1.0
229.14438	11.9
237.11334	13.3
238.11835	0.8
255.12390	38.3
256.12686	1.9
273.13440	100.0
274.13666	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	273.1498
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
64.91037	0.9
69.20438	6.3
69.93158	1.1
90.84081	1.2
92.47980	1.0
94.25141	1.0
105.03456	2.4
110.97456	1.1
117.03481	81.1
118.04270	84.8
121.02970	39.1
123.04552	11.7
126.60336	0.9
133.02972	7.0
134.03741	3.9
145.03015	5.4
146.73483	1.0
158.07326	1.6
162.03239	38.6
162.04597	2.0
163.03731	1.4
185.50163	1.2
224.10568	1.1
239.06442	1.1
249.78026	1.0
273.14984	100.0
274.15335	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76675	0.3
55.01873	0.3
57.03448	2.0
57.15063	0.3
59.01383	31.1
71.01385	6.2
71.05026	2.7
73.02961	1.8
73.30106	0.3
79.95703	0.3
81.03461	0.5
81.61691	0.3
83.05042	2.2
84.02168	2.2
85.02967	1.0
85.06588	0.5
87.04518	1.0
97.02950	1.6
97.06602	1.1
99.04533	1.6
99.08160	7.2
101.06088	1.0
109.06595	1.0
109.16593	0.3
111.08163	0.9
113.06073	0.6
113.09750	0.9
115.04020	56.1
116.04369	0.9
116.12743	0.3
121.06613	0.4
121.10242	0.8
125.09742	0.5
127.07691	0.6
127.11296	6.5
129.09166	0.3
134.82346	0.3
137.09732	4.3
139.11301	26.3
140.11649	0.6
153.09323	0.3
155.10777	3.8
157.12332	3.7
159.08081	0.3
165.12935	0.5
167.02461	0.3
179.03386	0.3
181.12379	0.9
183.13983	0.4
191.14420	0.3
193.12228	0.3
193.15984	1.9
199.13318	0.4
201.15013	0.6
209.15419	0.5
222.52721	0.3
237.14943	1.6
255.12466	0.3
255.13722	0.3
255.16006	2.4
273.17090	100.0
274.17432	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	275.0929
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
57.18674	0.3
59.85345	0.3
65.39142	0.3
69.03444	0.3
69.56480	1.3
75.91177	0.3
80.37351	0.3
82.66653	0.3
85.02957	0.4
93.07583	0.3
109.02931	0.4
110.20075	0.3
122.03728	0.3
130.04280	0.8
134.03737	0.9
135.04536	0.5
145.06670	0.3
146.03758	1.5
147.04521	0.3
151.07664	0.9
158.03767	3.0
159.04546	4.4
159.08182	0.8
172.05312	14.7
173.06081	8.9
174.06781	1.0
175.07622	0.8
184.05362	0.6
187.04219	3.6
187.07661	100.0
188.04465	0.3
188.08022	4.6
197.06216	0.5
198.06905	0.6
200.04771	0.4
201.05589	9.6
201.09351	0.4
202.06377	18.2
203.06747	0.5
203.10826	1.0
204.04335	0.5
213.09219	4.6
215.07150	0.9
216.07965	1.1
231.10275	21.2
232.10612	0.9
275.09299	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	275.0928
Annotation	Dysodensiol C
Peak:m/z	Relative Intensity
71.42059	0.8
74.53651	0.8
80.00411	0.9
95.05051	1.2
105.03471	5.6
117.03473	1.8
122.03767	0.8
133.02983	8.6
134.03746	19.1
134.49510	0.8
135.04582	4.4
137.07504	0.7
137.62611	0.7
145.02974	0.8
147.04559	1.1
148.05324	32.6
150.03247	1.1
159.04549	1.4
160.05238	1.1
161.02515	1.0
161.06058	0.9
162.03249	11.0
173.06059	3.1
174.06863	12.3
175.07405	1.0
177.01990	1.4
178.02716	3.4
180.04321	2.9
187.07628	3.8
192.04385	0.9
203.03481	1.2
203.10789	73.0
204.11089	3.0
208.60541	0.8
231.06612	1.9
231.10268	16.3
246.08922	1.0
247.09755	25.7
248.10158	1.3
275.09268	100.0
276.09683	4.8
276.12103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98269	2.4
57.03455	19.7
59.01362	2.8
63.08278	2.3
66.88548	1.9
69.03466	26.7
71.05023	3.4
74.33558	2.3
74.84109	2.1
81.03466	8.7
83.01400	2.3
83.05038	4.6
84.02190	2.4
85.02982	3.3
93.03482	9.8
95.01452	4.0
97.02959	38.5
98.03743	9.0
99.04524	17.6
99.57967	2.1
107.05049	28.4
109.02969	8.3
111.00879	4.9
111.04518	4.5
112.01660	8.9
113.02464	34.5
115.04008	3.0
117.07131	4.7
120.05856	5.5
123.04532	3.3
125.02467	7.7
126.03245	6.5
131.04987	3.4
133.06598	20.6
135.04546	5.3
135.08168	31.5
140.01161	21.6
141.01965	23.4
145.06621	23.5
147.04549	2.9
147.08168	28.9
157.06650	7.2
161.06099	58.9
161.07420	3.9
162.06453	2.2
171.08170	8.2
172.08975	4.4
173.06082	13.9
175.11380	2.7
179.07121	10.6
183.08159	13.8
185.06096	45.6
185.09729	4.6
186.06866	21.6
187.07603	2.9
187.11296	100.0
188.11652	5.9
189.05611	7.2
195.08138	3.2
197.09718	19.3
198.06926	3.6
199.11333	5.2
203.10788	51.0
210.06853	6.7
213.09239	47.3
215.10773	21.7
225.09236	56.5
225.11281	2.4
231.10281	16.1
231.13959	3.1
242.05817	3.2
243.10287	63.4
243.38562	3.3
247.13365	6.5
257.08194	4.1
275.09250	6.9
275.12927	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	275.1293
Annotation	Methyl hypocretenoate
Peak:m/z	Relative Intensity
56.60806	2.5
57.03447	17.4
61.51264	2.3
61.60130	2.4
69.03457	22.6
71.05003	3.4
71.39703	2.2
72.99323	2.4
73.15193	2.2
76.20624	2.5
79.92784	2.8
81.03467	10.4
83.05054	5.1
85.02949	4.9
93.03458	9.8
95.01405	5.9
97.02955	35.2
98.03762	4.8
99.04522	19.5
107.05042	26.6
109.02961	10.8
111.00907	2.9
111.04526	5.9
112.01678	10.9
113.02464	32.8
117.07143	4.3
120.05846	3.8
123.04549	2.7
125.02464	8.6
126.03263	8.1
131.05038	4.3
133.06616	15.0
135.04517	9.2
135.08180	26.7
140.01141	17.0
141.01952	20.8
144.05840	3.8
145.06599	26.2
147.04497	2.4
147.08168	36.0
157.06577	5.5
161.06097	54.4
163.07651	2.8
169.10204	2.4
171.08197	4.9
173.06099	15.6
179.07166	8.2
183.08157	16.5
185.06104	50.3
186.06851	25.9
187.11307	85.5
188.08311	3.1
188.11607	5.5
189.05545	6.3
190.81184	2.7
197.09734	25.7
198.06866	3.5
199.11301	8.2
201.09201	2.7
203.10771	44.3
210.06903	10.3
213.09212	46.5
214.09642	4.9
214.62807	2.7
215.10779	26.1
217.27121	2.5
225.09210	76.6
225.12584	3.2
226.09532	4.8
229.08565	2.8
231.10307	17.7
243.10274	100.0
244.10536	4.9
247.09619	3.3
247.13454	8.7
257.08221	6.2
275.09454	8.5
275.12933	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1292
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
59.01383	4.6
68.95782	2.2
69.09866	9.8
69.10267	5.2
69.50411	2.2
77.03999	2.3
84.91144	2.7
91.76977	2.7
95.05058	2.7
98.22634	5.0
104.69100	2.2
105.03468	14.9
109.13261	2.9
116.92850	4.0
133.02969	96.5
134.03778	17.8
135.04497	3.8
137.02470	5.4
148.05331	4.9
149.02444	4.0
155.37840	2.6
159.04497	2.3
161.02478	3.1
177.01933	21.8
178.02740	11.3
192.95941	5.6
193.05109	10.3
203.03546	3.6
231.21271	3.4
244.31828	2.5
260.10556	100.0
261.10782	5.9
275.12955	81.6
275.20163	32.4
276.13232	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	275.1657
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
59.01368	1.3
70.83418	1.2
70.83743	0.9
71.52008	0.8
74.70322	0.8
77.87511	0.8
79.95731	1.0
95.01395	1.3
107.96014	0.8
112.98793	1.0
117.02655	1.8
117.03478	28.5
118.04293	6.5
119.05048	16.8
121.02959	9.0
123.04491	1.3
133.02971	2.2
135.04524	1.4
145.02968	49.7
162.03241	2.8
163.04039	6.3
197.39116	0.8
203.03426	1.1
223.65131	1.0
231.03032	2.0
273.38025	0.8
275.02255	1.1
275.16556	100.0
276.16864	4.6
280.30606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33643	0.7
66.68044	0.6
69.11222	4.0
73.39742	0.6
84.95711	0.7
101.86869	0.6
111.85638	0.8
117.03479	27.5
118.04279	10.0
119.05046	18.0
120.68874	0.6
121.02956	8.0
122.58781	0.7
123.04538	3.0
133.02957	2.1
134.03761	1.1
135.04547	1.3
145.02969	50.5
146.03307	2.0
147.04544	0.8
162.03207	1.8
163.04037	6.7
172.90160	0.7
192.95908	1.1
203.03557	1.8
222.61314	0.7
231.02991	1.0
256.50824	0.6
275.16559	100.0
276.16788	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	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.2
60.16291	6.5
62.39892	5.8
70.18791	9.1
70.19128	14.2
75.04317	6.7
113.90166	8.6
135.04561	8.6
164.69350	6.5
187.70564	6.1
206.79224	5.5
231.21199	100.0
232.21342	9.3
275.16864	12.0
275.20071	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	276.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33723	16.0
55.48463	15.4
59.01408	20.6
61.52887	17.2
68.59657	15.3
69.20877	100.0
70.42387	15.1
70.91207	14.3
78.95924	21.0
99.80452	18.9
103.19313	19.1
121.02979	21.9
125.68287	15.2
152.91789	51.8
188.98669	18.1
194.92790	80.6
195.14244	16.0
212.27051	14.6
230.02180	16.1
262.77142	16.4
276.16180	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
56.41178	0.3
58.02977	4.3
60.82655	0.3
69.03448	0.3
69.13417	1.8
70.02984	13.0
71.01376	0.6
71.05025	26.3
72.00911	0.9
72.05365	0.6
79.95751	0.6
83.19600	0.3
87.05646	7.7
93.03487	0.3
97.04113	0.5
98.06116	0.6
99.04527	8.2
109.02926	0.4
113.07310	0.3
115.05155	1.7
116.07199	3.8
116.35068	0.3
129.05606	1.6
130.03337	10.3
132.04086	0.3
145.06644	0.3
146.08243	100.0
147.05989	5.1
147.08577	1.8
151.07700	0.3
154.68082	0.3
169.06630	1.2
175.98444	0.3
177.05603	0.7
217.11948	25.9
218.12326	0.7
229.43723	0.3
243.13596	0.6
277.01691	2.5
277.12299	35.3
278.12637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	14.8
59.01384	16.5
71.01027	1.4
71.01392	15.0
71.38891	0.9
72.99313	1.2
73.02951	5.3
74.02475	1.9
83.01397	2.6
85.02971	6.3
87.02751	2.1
89.02445	6.9
95.01400	1.1
99.00907	2.0
99.05652	19.3
101.02445	11.2
108.22449	1.0
113.02454	7.2
116.01765	2.7
119.03526	2.9
119.05002	5.0
121.03015	1.2
126.24636	1.0
127.11249	1.2
131.05396	2.2
133.04424	4.1
133.06946	42.7
143.04636	100.0
145.03050	1.7
146.08197	2.7
148.07745	2.1
149.00677	1.0
159.02928	1.3
161.04550	3.5
268.38397	1.1
268.64059	0.9
277.07611	1.4
277.12302	35.0
277.21729	5.5
278.06650	1.3
278.12613	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	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
59.01383	100.0
64.97691	1.1
68.03735	1.1
69.22585	6.0
71.01392	7.3
71.05020	1.7
73.02950	4.5
75.45325	1.0
79.63136	1.1
81.03506	1.6
82.02988	1.7
83.01378	1.3
85.02957	4.5
87.64725	1.0
95.01392	1.4
99.04528	1.4
101.02450	8.4
109.02954	2.7
113.02463	3.8
121.02938	2.0
123.04555	3.0
145.06648	1.4
146.08228	2.9
146.37219	1.1
147.04509	1.5
161.04620	2.0
177.05573	2.9
186.19775	1.1
189.05623	3.2
189.09279	1.9
190.08768	1.5
233.04608	2.3
233.11935	1.2
235.11868	14.9
277.07394	1.6
277.21710	2.4
278.06595	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	277.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
65.53767	0.7
71.02489	0.9
72.00913	1.4
74.99116	0.7
82.06631	2.7
84.08213	0.7
84.17889	0.6
87.00882	0.9
87.05662	1.5
90.98605	2.1
91.05540	13.7
97.43266	0.7
104.94749	0.7
112.07676	5.2
117.03447	1.7
119.05058	0.8
127.05868	1.5
129.06726	1.6
129.10356	71.5
130.08742	5.4
130.10712	1.3
134.03764	2.0
134.23024	0.8
141.10391	2.5
145.02959	3.1
145.06924	1.7
147.04541	20.6
163.04047	1.6
164.07178	22.4
175.12608	0.7
193.05136	1.3
216.14117	0.7
227.87071	0.7
233.16595	6.1
259.83878	0.9
277.07364	2.0
277.15591	100.0
277.21829	3.3
278.15881	6.7
288.03284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.00447	0.4
53.56845	0.5
53.61719	0.5
59.01387	7.1
61.98824	1.1
71.38949	0.5
78.95905	0.6
94.61696	0.5
118.94167	0.4
121.02960	1.1
134.89474	0.6
135.73378	0.4
152.91763	1.7
161.54207	0.6
194.92828	2.2
205.15968	2.0
233.22772	0.6
275.20197	0.5
277.18213	11.3
277.21725	100.0
278.22110	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
71.01385	0.4
71.78363	0.2
99.90856	0.3
102.15778	0.2
148.21574	0.3
216.07230	0.3
233.22833	0.9
259.20825	0.4
275.20251	0.4
277.21732	100.0
278.22079	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01360	1.6
64.90823	0.8
65.97882	0.8
70.05644	2.0
70.05989	0.8
72.54523	0.9
205.68510	0.8
254.60666	0.9
277.21753	100.0
278.22052	4.9
285.83112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01379	4.8
70.37923	0.5
98.22611	1.6
121.02953	1.6
129.68301	0.5
134.89468	0.8
146.03391	0.5
149.62480	0.5
194.92767	0.7
205.15953	1.0
277.18246	5.4
277.21732	100.0
278.19003	0.8
278.22046	6.3
278.42923	0.5
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
59.01389	1.4
69.16911	0.5
69.17317	0.8
69.87974	0.2
71.01391	0.4
103.84731	0.2
111.02720	0.2
127.07663	0.5
181.32953	0.2
233.22868	0.6
254.82635	0.2
259.20590	0.6
275.20306	0.5
277.21744	100.0
278.22073	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	277.2175
Annotation	Pinolenic Acid
Peak:m/z	Relative Intensity
59.01385	48.7
70.52480	1.4
72.49662	1.2
83.05029	1.5
91.56228	1.2
179.81287	1.1
205.19606	4.2
233.22740	17.8
277.21738	100.0
278.22168	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	278.0671
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01388	21.6
69.34995	4.2
71.01379	9.3
71.05028	2.0
72.04547	3.5
80.06149	1.2
82.02991	17.6
83.01395	4.6
85.02971	3.2
86.02483	15.5
89.02451	9.3
93.03513	1.7
98.02489	11.6
99.04524	7.9
100.04053	5.9
101.02441	6.7
108.02189	2.4
109.02948	22.0
110.02496	7.8
111.51783	1.3
113.02494	3.2
116.53498	1.5
117.05586	13.1
119.03526	4.4
119.05006	1.4
121.02944	9.1
121.07809	1.2
122.03766	4.8
123.04526	36.0
131.03760	2.1
132.04539	1.6
135.04549	2.7
145.06581	3.1
147.04541	9.4
148.04063	7.7
148.05176	2.5
149.04825	15.0
150.05620	57.5
151.04083	1.4
161.06136	2.3
163.07658	6.0
172.05386	2.6
173.04646	1.7
173.06096	30.1
175.04008	6.7
176.04817	24.2
188.07225	2.2
189.05583	5.3
191.07225	8.2
206.08215	13.5
216.06680	26.4
232.06323	1.4
234.07722	100.0
235.08092	3.5
260.05661	10.8
278.06738	34.9
279.10858	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1029
Annotation	Danshenxinkun B
Peak:m/z	Relative Intensity
65.79066	0.3
70.31609	0.7
77.96539	0.7
118.96164	0.4
134.89496	0.8
136.89297	0.4
146.43831	0.3
146.96057	0.6
186.68916	0.4
187.79308	0.4
197.06061	1.7
207.08141	1.1
210.06789	0.4
231.08171	1.9
233.09723	10.5
234.10033	0.6
238.06331	0.5
243.78958	0.9
259.07620	1.9
261.09225	16.5
262.09537	1.0
270.36615	0.4
279.10278	100.0
279.78342	0.4
279.91791	1.1
280.10654	6.0
280.15601	0.4
290.99286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01880	1.1
58.00587	0.8
59.01385	65.5
60.01721	1.2
62.66303	0.7
66.82721	0.8
67.25487	0.8
69.45177	3.1
71.01390	28.5
71.01795	1.3
71.05035	5.1
72.04556	1.7
72.94797	0.8
72.99329	0.8
73.02960	1.0
77.01862	0.8
82.02995	18.5
83.01409	1.0
85.02949	6.8
87.00894	1.3
89.02454	27.6
91.05595	0.8
93.03465	0.7
95.01396	2.3
95.05022	0.7
98.02499	5.9
98.89335	0.7
99.04533	24.1
100.04054	4.8
101.02456	19.5
101.06095	1.0
107.05049	2.6
108.02177	0.9
108.68272	0.7
109.02967	1.7
110.02486	0.9
113.02470	13.1
117.04706	2.1
117.05593	37.5
118.05972	0.8
119.03519	13.4
122.03789	1.1
123.04539	28.5
124.04834	1.6
135.04544	12.2
149.04573	1.3
150.05557	2.8
151.05965	2.6
152.07205	2.3
159.06639	1.4
161.04550	1.0
163.13353	0.7
169.72035	0.8
173.06107	0.9
174.06419	1.3
176.43668	0.8
177.05104	1.7
179.05635	2.3
200.76981	0.8
217.06992	1.5
234.07784	1.8
235.08020	6.8
236.09294	23.3
279.10873	100.0
279.23245	1.6
280.08328	19.1
280.11255	3.8
293.64868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92326	0.5
59.01341	0.7
61.98753	1.0
65.00262	2.4
66.98210	0.6
69.03406	0.6
73.35802	0.5
81.03419	1.3
82.00564	1.4
83.01334	1.1
93.45049	0.5
94.00548	1.4
95.01395	17.0
97.02880	0.5
109.02889	2.4
114.17834	0.7
120.99270	1.3
122.00059	2.0
123.00898	7.0
124.01659	0.6
137.02451	9.3
137.99535	2.4
138.03172	1.1
139.00386	15.0
155.03450	1.9
163.42026	0.6
165.09175	3.1
166.99876	5.6
181.01416	8.5
182.02231	7.7
191.07191	1.4
197.04584	8.0
215.77657	0.7
221.08195	21.5
222.08630	1.1
236.61214	0.5
249.07684	100.0
250.07964	3.2
263.09210	1.1
264.10034	61.6
265.10425	2.6
279.12418	43.5
279.23215	1.4
280.12744	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	279.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
59.87383	1.8
70.53268	1.9
70.95851	2.3
77.60854	1.8
119.01379	2.4
123.61501	1.9
128.41724	2.4
153.09293	2.2
154.09430	1.9
166.17331	2.1
206.93614	1.9
279.23300	100.0
280.23721	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.17893	0.5
69.30694	1.7
69.31086	0.9
73.43080	0.5
76.19267	0.5
85.34084	0.4
88.36662	0.5
169.95964	0.5
279.23300	100.0
280.23654	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.16150	8.4
53.18164	7.6
70.08291	17.1
82.03288	7.2
82.33615	7.7
103.99787	6.8
208.21486	7.3
233.22760	9.1
251.26476	7.0
263.09210	7.6
279.23315	100.0
280.40860	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	280.1305
Annotation	Pendimethalin
Peak:m/z	Relative Intensity
51.02385	0.8
56.80932	0.4
64.69860	0.4
65.00331	1.8
67.01902	2.0
68.99796	0.5
69.03461	1.1
70.44639	0.6
70.44980	0.5
79.01913	2.2
81.03461	16.4
82.00560	0.7
82.03783	0.6
83.01430	0.8
87.00888	1.1
91.01907	1.9
93.03477	0.5
95.01395	24.3
96.96027	0.5
97.02957	1.8
105.01907	1.0
107.01395	58.3
108.02211	10.8
110.54230	0.5
111.00900	2.2
112.10631	0.5
117.03462	0.6
119.02322	0.6
119.05046	1.1
120.99326	1.0
121.02985	0.6
122.00069	0.5
122.03777	1.4
123.00896	19.2
123.04534	9.6
124.01710	4.4
125.02457	15.4
134.03770	6.3
136.01675	3.8
138.01965	0.6
139.00386	11.3
149.06129	0.9
151.00381	69.4
152.01172	11.7
153.01964	0.8
163.04085	0.9
165.01929	7.2
166.02696	1.6
166.99889	5.8
167.03505	28.0
168.03868	1.0
193.05086	7.8
207.06641	4.3
210.07726	1.4
219.55859	0.5
222.07718	0.7
223.08510	3.5
238.10883	2.1
247.47867	0.5
248.08037	1.1
263.06808	1.3
264.09927	3.6
265.10687	68.3
266.10934	2.5
280.09467	18.1
280.12997	100.0
281.09921	1.1
281.13315	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02247	0.6
54.17868	0.6
57.03455	3.4
59.01396	3.5
68.01456	0.9
68.99828	1.0
69.03442	1.3
69.36115	3.1
71.01392	1.5
72.99296	1.1
73.02960	1.5
73.13570	0.6
74.02486	1.2
74.99111	3.7
75.00879	3.8
83.05045	2.3
85.02966	1.3
85.70517	0.6
87.00883	21.5
89.03961	2.1
95.05049	1.2
96.96014	11.4
98.21886	1.3
101.02454	2.4
105.01947	9.7
106.04262	0.8
108.89235	0.8
109.06602	0.8
111.08161	1.4
117.03477	8.8
119.05029	7.6
121.02940	0.8
121.06580	1.5
123.08178	1.2
124.05317	2.1
129.09279	1.7
134.03754	95.1
135.03008	9.8
135.04115	3.4
137.02467	1.5
137.09650	0.7
138.05612	2.0
139.07658	5.4
149.06093	9.4
153.05614	1.0
156.93585	0.6
163.04007	14.2
169.10104	0.7
169.80234	0.7
171.11803	4.5
178.02748	4.7
189.12846	2.8
192.06647	1.8
193.05069	100.0
194.05342	3.4
201.12923	1.3
207.13855	1.8
219.13931	1.8
222.24265	0.6
237.14944	10.5
238.15346	0.7
250.04207	0.7
271.59445	0.8
281.03467	1.0
281.06891	3.8
281.10629	2.9
281.13956	7.3
281.24805	1.0
282.09952	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11986	0.8
55.01885	1.2
56.13410	0.8
57.03441	1.7
59.01377	4.9
61.92084	1.0
65.32396	0.7
69.15907	5.6
71.01387	5.7
72.99319	1.5
73.02943	5.6
75.00870	4.9
75.57759	0.8
83.05032	2.1
85.02958	1.8
87.00883	26.1
89.02449	1.2
93.03469	1.0
111.55746	0.9
113.02438	2.9
116.85178	0.9
117.01958	31.0
119.05039	63.9
120.05341	1.9
123.08191	4.3
133.03006	4.4
134.03662	1.4
135.03017	18.4
135.04527	10.2
145.02911	1.8
149.06075	3.5
161.02446	9.4
163.04028	100.0
164.04362	2.8
171.11765	5.0
177.05594	5.1
179.03517	7.2
189.12901	1.4
201.12828	1.5
203.03545	1.1
221.04648	4.7
237.15012	5.1
281.06659	3.1
281.10965	1.3
281.13934	9.6
282.14432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	3.1
59.01383	4.1
70.97865	1.4
71.01373	4.0
72.99306	1.5
73.02946	4.0
75.00878	7.8
77.75214	0.8
79.20702	0.8
85.02962	1.5
85.04910	0.9
87.00877	7.6
89.02442	1.5
91.72131	0.8
112.85417	0.8
113.02479	2.0
117.01956	10.3
119.05037	66.8
120.05414	1.6
133.02977	3.4
134.03743	1.8
135.03008	29.4
135.04533	9.9
135.95859	0.8
145.02982	2.0
149.06088	2.4
161.02487	7.0
163.04021	100.0
163.23462	0.8
164.04370	3.5
172.36975	0.8
177.05556	3.8
179.03503	8.2
190.80099	0.9
221.04601	4.3
251.07523	1.4
266.09790	1.1
281.06702	2.2
284.76114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90202	1.4
55.01897	1.9
59.01382	16.4
69.93736	4.1
71.01392	8.4
72.99333	2.3
73.02947	4.9
75.00876	26.2
85.02956	4.3
87.00888	21.9
89.02464	3.7
93.03433	1.5
94.72072	1.4
95.01433	1.4
101.02467	2.3
113.02472	4.3
117.01956	27.8
119.03548	4.4
119.05040	70.5
121.02969	2.2
133.02988	22.1
134.03796	9.5
135.03020	80.7
135.04544	46.3
136.03342	2.1
137.02460	2.1
140.39720	1.5
148.05331	1.5
149.06094	15.9
161.02466	56.0
163.04025	100.0
164.04332	3.8
167.95448	1.4
168.21852	1.5
177.05598	23.1
179.03517	38.0
217.83810	1.8
221.04576	34.1
272.39322	1.5
275.86075	1.3
281.06671	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	281.088
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
54.25339	3.1
57.03445	8.0
59.01386	35.3
70.55312	5.3
71.01380	20.3
83.01438	2.8
86.89117	2.9
89.02445	25.0
96.96021	14.0
101.02449	100.0
102.02783	2.8
113.02500	6.5
119.03522	3.5
123.04500	5.4
167.03555	3.2
180.93126	3.0
238.86450	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	281.1031
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
55.01885	6.6
57.03455	9.4
59.01085	1.2
59.01384	24.0
65.11856	0.5
67.01909	1.0
68.99831	0.8
69.03453	1.2
71.01388	100.0
72.01704	0.7
72.99321	4.2
73.02951	25.7
74.99065	4.0
75.00865	1.4
82.00618	0.7
83.01392	9.8
84.02155	1.4
85.02958	62.8
86.03275	1.4
87.00880	2.1
89.00494	0.6
89.02451	7.1
93.00127	4.0
93.03450	0.9
95.01395	17.9
96.96040	0.7
97.02969	1.6
99.00890	7.6
101.01804	1.3
101.02452	19.6
101.03118	1.0
101.29191	0.5
107.05075	0.8
110.55011	0.5
111.00891	1.0
113.02460	78.6
114.02808	1.0
117.03812	3.7
119.01742	3.0
119.05040	57.4
120.05388	2.4
120.37671	0.5
121.02975	0.8
121.06676	0.5
131.03481	0.6
132.99680	1.2
135.04520	0.9
135.08215	0.6
137.06090	6.6
143.03468	0.6
144.67149	0.5
149.09828	0.5
151.07637	0.6
161.04593	5.9
161.06392	5.3
163.04279	1.1
186.84003	0.6
219.10274	1.0
221.36859	0.6
237.07816	0.8
237.11378	1.1
247.06378	1.2
263.09573	7.3
281.10580	30.4
281.13931	1.5
281.24908	0.8
282.10675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39714	0.5
66.36969	0.5
69.53833	2.5
71.01387	77.5
72.01706	0.6
81.07101	13.7
81.07555	1.0
84.02174	1.3
110.43352	0.5
115.00388	20.6
121.10251	4.1
133.01451	0.8
139.40689	0.6
165.09219	100.0
166.09558	4.5
235.38733	0.6
243.52800	0.5
281.08124	0.8
281.14133	0.7
297.53275	0.5
303.31299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28724	0.6
53.29177	0.5
54.37843	0.6
55.01880	7.3
55.13575	0.5
55.48478	0.6
57.03450	8.5
59.01380	25.1
62.87085	0.5
69.03450	1.2
69.43731	0.6
69.78587	1.3
69.78938	1.2
71.01385	100.0
72.01736	1.0
72.99309	2.3
73.02949	23.2
83.01387	10.4
84.02171	1.4
85.02956	59.4
85.92922	0.5
87.00887	2.3
89.02451	7.3
95.01395	15.3
96.01743	0.7
96.95999	0.5
97.02934	0.8
99.00889	6.1
101.02446	19.8
111.00906	0.8
113.02456	70.8
114.02787	0.8
119.03632	1.4
119.05036	57.3
120.05386	1.5
123.08134	0.6
125.02467	0.7
131.05505	0.5
134.03760	1.2
137.06084	4.9
139.00374	0.5
149.60942	0.5
161.02509	1.5
161.04532	6.1
178.05893	0.6
179.03625	0.9
221.08347	0.8
235.37852	0.6
236.41917	0.6
255.10677	0.6
281.10385	10.6
281.13916	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	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03454	5.8
57.45896	0.8
59.01386	14.0
59.96714	1.2
65.00308	0.8
69.03458	1.2
70.93245	1.3
71.01388	49.4
72.01728	1.0
72.99308	9.5
73.02954	10.3
74.99084	16.4
75.00871	5.6
75.04501	0.8
76.97018	1.7
80.96492	0.8
82.00609	3.2
83.01410	5.1
84.02187	0.7
85.02959	30.5
87.00883	1.5
89.02438	4.0
93.00142	24.2
94.98086	1.1
95.01396	8.0
95.05038	0.9
96.96038	1.0
97.02935	0.9
99.00893	3.6
101.02454	19.0
102.02853	0.6
107.05057	0.7
108.80244	0.6
113.02464	35.0
117.03793	20.8
119.01714	17.9
119.03681	1.2
119.05037	30.0
120.99638	0.9
121.03020	0.8
121.06598	0.8
123.04490	0.7
132.99643	4.0
135.04694	1.2
137.06110	2.3
149.06091	1.3
159.01201	3.1
161.04584	2.1
161.06415	35.0
162.06654	1.4
163.04326	4.0
193.05173	1.3
205.09055	1.2
237.07838	0.8
237.11279	1.3
247.06404	5.2
260.93121	0.7
263.09589	36.5
264.09845	2.7
265.07486	1.6
281.10645	100.0
281.24689	1.3
282.10852	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	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
51.42782	0.9
55.01881	2.0
56.53769	1.0
57.03448	12.8
57.29724	0.9
58.99611	15.6
59.01384	10.7
65.03962	2.1
69.03448	1.4
69.46503	4.4
71.01382	6.8
71.05023	1.8
73.02958	6.6
74.99095	3.3
75.00868	4.7
78.20242	1.0
83.05038	10.6
85.02950	5.4
87.00883	22.6
93.03478	2.0
93.07130	1.0
95.01414	1.5
95.05015	3.3
97.02935	1.6
111.04528	3.7
111.08183	3.2
113.02467	4.6
113.06089	1.0
117.01954	13.8
119.05038	63.0
119.08667	1.1
120.05399	1.0
121.06596	5.3
122.03747	1.0
123.08170	25.6
124.05344	1.2
124.08483	1.3
133.02954	4.7
134.03723	1.5
135.03000	14.4
135.04543	10.4
136.99187	1.9
137.02423	1.4
137.06111	1.0
137.09744	2.7
138.06902	1.3
139.07629	5.4
145.02951	2.1
145.10240	2.7
149.06104	4.7
151.07646	2.6
153.09221	3.4
161.02461	12.2
163.04025	100.0
163.11183	0.9
164.04353	3.7
169.08742	1.6
169.10133	2.4
171.11816	29.9
172.12140	1.1
177.05573	4.9
179.03505	9.4
189.12865	9.4
193.04950	1.0
201.12831	9.1
201.20784	1.1
202.13153	1.3
207.13812	5.3
219.13937	5.6
221.04611	7.6
237.14964	40.6
238.15311	2.0
242.21367	0.9
281.06805	3.6
281.10687	5.0
281.13947	63.4
282.14246	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	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
52.48262	0.7
55.01876	1.4
57.03450	14.9
57.60004	0.7
59.01382	6.6
62.11755	0.6
65.03945	2.3
65.62070	0.7
69.03477	0.8
69.62824	2.8
71.05022	2.9
73.02946	0.8
74.99100	4.0
75.00877	0.8
79.95714	0.8
81.03494	0.7
83.01401	0.8
83.05029	11.9
84.18993	0.7
85.02953	1.0
85.04829	0.6
85.06597	4.0
87.00881	16.5
93.03441	1.5
95.05035	3.7
96.96017	100.0
98.22630	0.7
99.04566	1.1
99.08170	1.4
99.83450	0.7
105.01945	18.6
105.07092	1.2
106.04277	0.7
109.06582	0.9
111.04525	3.5
111.08172	3.6
113.06134	0.8
117.03454	1.6
119.08664	2.6
121.06608	5.9
122.03748	0.8
123.08174	26.3
124.05338	2.0
125.09686	1.0
129.09198	0.9
134.03761	12.7
135.02982	1.3
135.04495	0.8
135.08179	1.4
137.06026	0.9
137.09734	4.8
138.06882	1.6
139.07642	5.1
145.10226	3.3
149.06056	1.0
151.07635	2.9
153.09186	3.3
155.07188	0.7
157.12315	0.8
163.04042	1.1
169.08829	1.5
169.10275	2.6
171.11810	31.4
175.04015	2.0
178.02727	1.2
183.10352	1.6
189.12871	9.6
193.05048	14.7
201.11320	6.8
201.12929	10.2
207.13937	6.8
219.13870	5.1
237.14977	39.3
238.15373	1.3
281.03970	0.9
281.07077	29.1
281.10629	2.4
281.13943	65.4
282.07474	1.8
282.14355	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	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
54.66484	1.0
62.01652	1.1
65.40607	1.0
69.37094	0.9
90.16290	1.1
118.05996	1.2
134.65601	1.0
137.35240	1.1
154.94565	1.0
180.13527	1.1
281.24893	100.0
282.25204	6.2
290.65155	1.0
304.52164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45052	1.2
78.42746	1.2
83.05060	1.3
97.94052	1.4
98.22540	1.3
105.17290	1.2
114.32829	1.1
147.49072	1.2
167.40831	1.2
281.24863	100.0
282.25192	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	282.0846
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.39939	0.2
55.72388	0.2
58.74043	0.2
59.01382	2.0
66.00971	0.8
69.40164	0.6
71.01375	0.6
78.95918	0.4
82.04102	1.0
88.04048	0.4
88.59077	0.2
90.43677	0.2
95.69225	0.2
98.99401	0.3
107.03654	4.2
108.02051	9.7
114.01984	0.6
115.00373	0.9
115.02519	0.4
117.00443	0.3
123.04552	0.8
126.03110	5.2
130.08780	1.2
132.03065	1.3
133.01572	30.6
134.01959	0.5
141.00464	1.4
150.04224	100.0
151.02637	0.8
151.04686	1.5
157.03505	0.5
159.01591	0.2
163.00401	0.8
164.05786	0.4
166.05103	0.8
167.03532	1.3
183.01511	0.4
201.02597	1.6
268.03769	4.7
282.08469	27.9
283.01651	1.0
283.06332	1.1
283.08563	1.0
283.26425	0.3
302.96973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.65685	0.8
68.21453	0.8
68.94502	0.8
69.14921	5.6
71.01389	18.4
91.01902	13.4
95.01391	1.3
96.96008	2.3
108.02179	9.3
110.00112	1.8
115.00388	11.1
122.41554	0.9
123.04540	36.4
124.04814	1.1
124.17109	0.8
133.01324	1.2
152.01184	8.1
163.00365	5.2
165.99092	1.2
167.03510	100.0
168.03871	4.4
178.55341	0.9
178.56926	0.8
184.05345	1.1
196.05301	0.9
198.03351	1.0
202.77353	0.9
213.04333	0.9
239.03511	1.4
268.03787	31.7
269.04037	1.7
272.19730	0.9
283.03134	1.6
283.06082	11.1
283.11938	1.3
283.26486	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	283.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86915	0.7
55.96936	0.7
59.01379	0.7
61.48304	0.8
61.67468	0.7
65.00320	1.6
69.60814	2.1
71.01382	23.3
75.76066	0.7
91.01900	13.0
101.59877	0.8
101.60668	0.7
107.48544	0.8
108.02179	12.7
115.00375	9.7
123.04536	39.9
124.04874	1.3
152.01187	8.8
163.00386	1.6
165.98973	1.0
167.03511	100.0
168.03877	2.6
268.03802	7.6
283.06149	2.9
283.26471	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	283.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
65.00328	1.5
65.99677	1.3
71.01388	20.0
72.99316	2.4
81.84124	1.5
89.02417	1.6
91.01900	9.3
98.21901	2.2
98.22572	5.4
101.02451	2.7
105.71817	1.3
108.02178	9.5
109.03024	1.7
110.00107	5.7
111.00921	1.2
115.00391	12.9
123.03629	2.2
123.04530	33.6
124.04868	2.0
128.11221	1.2
132.03067	2.6
137.99617	1.6
139.05469	1.9
151.07645	1.8
152.01152	7.4
153.01895	1.9
163.00386	16.7
165.05602	1.6
165.99107	4.4
167.03516	89.2
168.03854	4.9
171.04533	1.6
177.05602	1.2
184.05254	3.7
196.05362	3.0
198.03214	4.9
201.02515	2.4
202.63869	1.4
211.04024	2.0
224.04840	2.6
239.03554	4.8
267.03085	2.6
268.03793	100.0
269.04102	4.8
283.06171	32.6
283.26462	20.8
283.93683	1.4
284.06363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07170	0.2
63.02421	1.5
65.00333	1.0
69.66688	0.9
74.33365	0.3
75.27412	0.3
81.67650	0.2
83.01378	1.5
83.18505	0.2
83.48096	0.3
84.18774	0.3
92.19623	0.3
93.42360	0.3
97.02969	0.5
98.21944	0.6
98.38210	0.3
107.01398	2.9
117.03466	6.5
117.04288	0.6
121.02972	0.4
135.08218	0.3
148.01677	2.2
149.99619	0.9
151.00391	3.9
158.03624	0.4
165.01935	0.9
167.04991	0.3
168.05817	0.3
169.01576	0.4
171.04526	1.2
172.05310	1.2
184.05206	0.6
195.04582	0.7
196.05363	1.3
199.03897	0.4
200.04814	1.3
211.04024	2.8
212.04741	1.4
223.04054	0.4
224.04805	0.3
239.03484	5.6
240.04271	6.4
254.35910	0.3
260.95908	0.3
267.02948	3.1
268.03784	100.0
269.04114	6.0
269.07031	0.3
281.00809	0.3
283.06137	82.7
284.06503	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23958	0.3
55.62300	0.3
55.74094	0.3
59.01361	0.3
65.00331	0.5
65.27256	0.3
66.59911	0.3
69.29532	1.3
70.47456	0.3
82.00600	1.0
82.39644	0.3
95.01379	0.8
98.22730	0.6
109.02981	0.3
110.00102	6.9
119.01389	1.8
122.00087	0.5
135.00890	1.1
137.02457	0.9
137.99597	1.1
139.05592	1.4
163.00391	14.7
164.00716	0.4
165.99092	5.6
167.05023	0.4
168.56094	0.3
171.04507	1.4
172.05251	0.5
181.19754	0.3
184.05287	3.9
195.04417	0.8
196.05312	2.4
198.03235	2.6
211.03981	1.9
212.04729	1.3
223.03969	0.9
224.04857	1.7
224.06653	0.3
228.16400	0.3
239.03520	3.3
240.04198	1.3
267.02982	2.6
268.03790	100.0
269.04123	5.6
277.56015	0.4
283.06143	29.9
283.26468	0.5
284.06403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36079	0.2
55.70627	0.2
57.03445	0.5
59.01387	0.5
65.00327	0.7
67.79029	0.2
69.47786	0.2
71.01382	0.7
71.05034	0.5
72.43057	0.2
79.95749	0.4
85.02930	0.6
92.99844	0.3
95.01395	0.4
96.96019	100.0
97.95924	0.3
99.08148	0.4
110.00127	1.8
113.02422	0.3
114.02812	0.3
119.01411	0.4
127.11258	0.3
128.89159	0.2
137.02448	0.3
137.99643	0.3
139.05577	0.6
157.12386	1.2
163.00395	5.0
164.98216	0.2
165.99083	1.6
167.05064	0.3
184.05334	1.3
185.11870	0.8
195.04477	0.6
196.05356	0.9
197.01514	0.2
198.03290	0.9
201.11313	0.4
203.12906	5.0
211.03922	0.4
212.04779	0.3
224.04784	0.6
239.03561	0.9
240.04315	0.3
247.78633	0.3
267.02966	0.9
268.03781	31.3
269.04080	1.7
280.01294	0.2
283.06030	6.9
283.08633	25.3
283.26471	2.6
284.06250	0.4
284.09045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Phenethyl caffeate
Peak:m/z	Relative Intensity
59.01375	0.7
69.39450	2.1
91.05514	0.8
107.01383	0.9
107.04992	0.8
110.00104	2.0
117.03468	2.8
119.01390	0.9
133.02971	18.8
134.03775	10.1
135.04538	100.0
136.04881	3.1
136.05794	0.5
137.02444	2.4
148.01672	1.0
148.05457	0.5
151.00397	1.6
159.16663	0.5
161.02460	30.4
163.00381	6.5
165.99048	1.5
171.04585	1.0
178.02646	1.0
179.03510	50.2
180.03885	1.5
184.05309	1.3
196.05389	0.8
198.03261	1.1
200.04816	0.7
211.04022	1.2
212.04858	0.5
239.03448	3.2
240.04327	3.1
267.03027	2.2
268.03787	74.0
269.04153	4.2
275.44391	0.5
283.06168	49.8
283.09769	87.6
283.26465	1.6
284.06509	3.6
284.10141	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
58.54582	0.3
69.92271	0.3
70.52859	0.6
83.51996	0.3
90.40902	0.3
97.09000	0.3
106.04220	0.5
107.05040	100.0
108.05377	2.1
110.00101	0.7
123.04530	0.5
129.09801	0.4
147.08168	0.6
163.00412	1.2
163.11301	99.7
164.11633	3.8
184.05397	0.5
267.03116	0.5
268.03760	7.9
269.04114	0.8
283.06238	3.3
283.17044	92.9
284.17380	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	284.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03185	0.5
58.93694	0.5
59.01384	4.0
61.98835	3.3
65.76457	0.4
69.57660	1.7
69.58065	0.8
72.36593	0.5
93.90233	0.5
98.00987	0.8
98.22633	0.6
99.98925	4.4
116.51552	0.4
139.94209	1.3
140.02080	1.5
141.93980	1.6
141.99983	100.0
143.00092	4.9
148.28943	0.5
181.95300	1.1
184.01024	32.7
185.01167	1.8
199.99014	0.7
202.02649	2.3
203.02356	0.5
242.00185	1.4
269.04111	4.3
283.26437	3.0
284.01154	36.7
284.26874	1.4
285.01248	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	284.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28370	0.2
63.02402	6.8
63.46498	0.2
65.00327	3.3
69.60170	0.4
69.60554	0.4
77.36683	0.2
78.95913	0.3
83.01392	4.6
94.00598	0.4
98.21986	0.4
107.01395	6.9
110.00092	0.3
132.02170	0.6
133.02957	3.0
134.03746	2.5
146.03729	0.4
148.01677	0.8
149.99577	0.9
151.00392	5.9
155.05023	0.4
163.00352	0.6
164.00676	0.2
165.99057	0.2
167.04991	0.3
169.01443	0.6
171.04518	0.5
172.05286	0.5
174.03325	0.5
183.04538	1.7
184.05238	0.4
187.04036	0.8
188.04819	0.7
195.04558	0.4
197.02327	0.3
199.04025	1.7
200.04805	1.7
201.02338	0.3
211.04031	3.0
212.04669	0.4
214.02664	0.2
216.04218	0.2
227.03499	5.7
228.04085	1.0
239.03520	1.2
240.04030	0.4
255.03036	3.1
256.03763	5.3
257.04178	0.3
261.26898	0.2
267.02896	0.2
268.03665	0.2
269.04144	2.6
283.02527	1.4
283.26462	1.1
284.03271	100.0
284.26733	0.3
285.03647	5.9
285.20712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.6
59.41697	0.3
70.20966	0.6
70.21291	0.5
71.01397	0.4
76.79793	0.3
79.95748	0.6
81.07111	0.5
83.26077	0.3
95.05051	0.3
98.08807	0.3
98.22594	0.5
99.27768	0.3
99.50909	0.3
105.07116	0.4
110.00113	0.5
114.09263	2.6
116.07186	100.0
116.41158	0.3
117.07515	1.9
121.06609	1.1
123.08172	17.6
124.08501	0.6
153.04364	0.5
159.58249	0.4
161.09683	0.4
164.00755	0.4
167.07118	2.2
183.01231	0.7
185.05717	0.4
187.21884	0.3
196.17081	4.5
222.15030	5.6
240.16063	1.5
249.20001	0.4
266.14014	2.4
268.03635	0.4
269.04111	5.2
283.26425	0.5
284.06732	2.1
284.15048	81.2
285.04391	0.7
285.07993	1.9
285.12531	0.5
285.15408	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	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	3.1
79.95703	1.1
83.01398	1.7
92.99821	1.0
93.03490	1.0
95.01396	3.2
95.43390	0.8
98.22597	0.9
99.23769	0.9
107.01385	1.7
108.05290	1.0
110.00098	2.8
111.00897	18.4
113.54070	0.8
116.76488	1.0
117.03459	3.5
119.05035	12.2
123.00906	4.0
125.02457	1.8
133.02997	5.9
136.98819	3.7
137.99646	1.0
139.00392	20.3
145.06575	1.2
151.00386	3.1
157.06572	1.3
159.09842	0.9
161.02470	3.5
164.98257	3.0
165.99066	1.5
166.99881	8.7
167.05008	1.7
169.06621	1.3
171.04561	2.0
172.94025	0.9
173.06038	1.0
175.04056	1.3
178.99847	1.1
185.06151	2.4
195.04483	1.3
198.03320	1.3
199.03998	1.7
211.04050	1.3
213.05554	1.5
217.05078	2.6
219.74991	0.9
223.04074	2.0
239.03381	1.8
241.05190	1.3
241.09010	1.4
243.02979	1.5
257.04541	1.3
267.03027	1.6
270.04559	2.0
284.26807	1.3
285.04068	100.0
285.11392	3.0
286.04361	6.1
297.70425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28455	0.2
55.53825	0.1
62.41993	0.2
63.02395	1.1
63.37729	0.2
65.00328	3.6
69.50135	0.4
69.50525	0.4
81.03500	0.2
83.01385	1.8
93.03452	0.3
98.22629	0.3
105.03493	0.8
107.01406	5.5
111.00868	0.4
119.05041	0.5
121.02984	1.1
132.02180	0.6
133.02968	28.3
134.03299	0.9
135.04507	0.2
139.00391	0.4
143.05060	0.3
146.03783	0.2
147.04550	0.5
149.02449	3.7
151.00386	9.7
152.00737	0.3
156.16141	0.2
157.06657	0.2
159.04494	0.2
169.06551	0.2
171.04521	0.5
173.02443	0.4
173.06078	0.2
174.03278	0.4
175.04016	5.5
177.01956	0.4
181.12338	0.3
185.06044	0.5
187.04076	0.3
195.04405	0.3
197.06081	0.5
198.03189	0.7
199.04039	3.9
200.04337	0.2
201.01988	1.9
211.04008	0.4
212.04803	0.3
213.05582	0.8
215.03522	0.8
217.05095	2.5
223.04045	0.5
224.04646	0.3
229.05032	0.5
239.03537	0.4
240.04294	0.3
241.05125	1.6
242.02197	0.2
243.03049	1.1
256.03259	0.2
257.04590	1.0
267.03104	0.5
270.04861	0.2
285.04062	100.0
286.04398	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
52.59062	0.9
52.85770	0.8
74.12492	0.8
81.03472	1.3
83.59602	0.8
91.87828	0.9
97.29322	0.8
108.02180	100.0
109.02986	29.6
129.24638	1.0
133.02934	1.0
151.04025	1.2
152.01166	64.3
153.01955	45.1
196.53867	0.9
214.54703	0.8
225.36246	0.9
282.09106	0.9
285.06183	73.8
286.06479	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
55.73845	0.4
60.64282	0.4
64.96133	0.4
65.00318	0.6
69.31848	2.3
70.04897	0.4
76.26592	0.4
78.95911	1.9
81.03470	0.7
82.44540	0.4
93.03493	0.6
96.96974	5.0
98.22616	0.9
104.64516	0.4
107.01365	0.5
108.02184	100.0
109.03003	15.7
110.00092	0.8
111.12351	0.4
121.02982	0.8
123.04563	1.1
133.03059	0.6
135.00890	0.7
135.04605	0.5
136.98898	0.5
151.04047	1.1
152.01173	67.4
153.01971	30.6
153.02913	0.3
154.02335	0.5
163.04015	1.0
163.61440	0.4
165.01965	0.7
230.00029	0.5
270.04977	0.6
285.06189	59.6
286.06595	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0772
Annotation	Pinobanksin 5-methyl ether
Peak:m/z	Relative Intensity
58.25930	0.3
59.01382	1.2
63.02397	0.4
64.99977	0.7
65.00328	13.2
65.03944	0.4
65.40305	0.3
69.08018	0.4
69.11753	1.2
69.12183	1.5
78.95874	0.6
83.04993	0.4
89.00332	3.5
91.01902	2.2
92.99812	0.6
93.03466	19.1
94.00597	1.0
96.12090	0.4
97.02959	9.9
98.43707	0.3
107.01398	0.8
108.02177	0.8
110.00102	1.3
119.05037	100.0
120.05388	3.0
121.02968	4.7
122.00130	1.0
136.01648	0.4
136.98862	0.4
137.99597	0.4
145.02956	1.6
149.99609	3.9
151.00365	0.7
160.97652	0.4
163.00360	0.5
164.01186	1.6
165.01942	61.2
165.99147	0.5
166.02257	1.7
174.99283	0.7
179.03510	1.3
183.02977	1.2
186.58356	0.4
191.03549	1.7
196.00041	0.5
202.98822	2.0
217.00258	0.6
237.09140	0.4
255.10216	0.6
267.02896	0.4
267.06546	0.5
269.04486	0.7
270.04721	1.4
270.12585	1.2
285.04202	4.4
285.07687	39.8
285.14496	2.3
285.20853	2.8
286.08133	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	1.3
68.38010	1.5
69.72692	3.8
69.73074	3.2
71.01392	1.5
81.66860	1.4
92.55261	1.6
107.05029	2.2
110.00091	2.1
118.09626	1.5
119.05033	2.5
136.98868	2.0
145.27641	1.8
164.98312	3.7
165.99097	2.9
173.65305	1.9
211.13379	1.6
212.04747	6.0
270.04672	5.5
285.03934	5.2
285.07172	3.7
285.11121	9.4
285.16946	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	1.3
68.38010	1.5
69.72692	3.8
69.73074	3.2
71.01392	1.5
81.66860	1.4
92.55261	1.6
107.05029	2.2
110.00091	2.1
118.09626	1.5
119.05033	2.5
136.98868	2.0
145.27641	1.8
164.98312	3.7
165.99097	2.9
173.65305	1.9
211.13379	1.6
212.04747	6.0
270.04672	5.5
285.03934	5.2
285.07172	3.7
285.11121	9.4
285.16946	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	285.1822
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
53.17184	0.5
56.49561	0.5
58.02976	7.8
59.01374	0.5
65.00326	1.0
69.65119	2.1
72.30252	0.5
80.05091	0.8
81.93094	0.6
82.06660	0.9
88.36020	0.5
96.61845	0.5
97.06564	0.6
110.00118	0.6
111.00896	1.0
112.07692	0.9
114.09265	1.0
119.05011	0.9
126.09259	1.4
127.50385	0.6
129.10362	1.8
130.08748	100.0
131.09087	2.1
136.98868	0.9
139.00435	0.6
141.10356	0.5
144.94406	0.5
153.10384	0.6
154.08742	14.2
164.98279	0.6
165.99150	0.6
168.09019	0.7
171.11319	0.6
182.15506	1.1
184.12228	0.6
199.18166	84.6
200.18481	4.0
203.02547	0.5
241.19217	9.3
243.17169	4.7
267.02939	1.2
270.04742	1.0
285.03989	3.1
285.18210	92.8
286.12070	0.7
286.18549	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01369	0.6
69.18826	1.1
69.19238	1.4
71.01372	0.7
71.05011	0.5
73.26293	0.4
75.85505	0.4
78.95907	0.7
90.23811	0.4
95.01420	0.4
97.06594	1.4
99.08165	0.8
109.06595	0.6
110.00089	0.8
123.08203	0.5
139.11264	0.5
141.12872	1.4
155.14517	0.5
165.99088	0.6
171.95221	0.3
173.06163	0.7
174.99283	0.6
202.98892	0.5
221.19000	0.5
223.20633	0.4
239.20341	0.7
249.18585	0.5
255.10289	1.0
265.18094	1.8
267.19730	4.0
268.19955	0.4
269.11755	0.8
270.04898	0.8
270.12637	1.1
285.04123	3.0
285.15106	4.4
285.20731	100.0
286.15350	0.4
286.21118	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	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.85491	0.7
50.90466	0.7
51.16385	0.7
53.74295	0.9
56.21833	0.7
56.41867	0.8
59.01375	1.1
71.39729	0.9
87.55422	0.9
103.01304	0.7
110.00138	0.7
117.03474	0.8
129.77940	0.8
133.02968	0.9
136.98840	0.9
139.00421	0.8
141.11572	0.8
165.99115	1.0
191.07182	0.7
202.98714	1.4
223.20694	60.1
224.20996	4.3
241.04982	0.7
241.21788	1.3
267.19669	36.1
268.20108	2.0
270.04788	2.3
285.04138	6.7
285.07129	1.4
285.20743	100.0
286.21103	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	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01375	0.4
65.00332	0.6
70.02980	0.7
71.04539	0.6
72.04572	0.4
74.06119	2.1
117.07114	4.2
118.05087	0.6
119.05104	0.4
125.09747	0.5
137.02469	1.3
141.01924	0.4
164.98245	1.0
178.17444	0.4
181.01410	1.1
240.23309	2.7
241.28093	0.4
242.14015	0.4
242.21294	1.9
242.24983	0.5
243.06099	0.5
268.22873	1.5
269.04605	1.2
286.04550	1.0
286.23901	100.0
287.09271	0.7
287.16669	3.0
287.24231	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	287.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51447	1.3
57.23572	1.2
59.01083	2.8
59.01382	54.3
61.98834	1.7
65.00331	4.7
71.01386	10.1
72.99316	7.8
74.02478	2.8
74.99376	8.0
83.01399	5.5
85.01455	2.6
88.04016	1.7
89.00942	2.5
91.66458	1.3
98.99404	10.2
99.00873	3.5
101.00966	11.2
102.98874	3.0
104.31500	1.3
111.00906	3.2
112.64995	1.4
112.98848	2.2
113.00967	2.0
114.98838	1.6
115.02512	2.7
117.00452	100.0
118.00549	4.3
124.98776	1.6
125.00986	7.7
125.02466	9.2
126.98885	21.4
127.02522	16.8
128.96864	2.0
129.00465	2.3
129.02229	2.4
130.08760	48.8
131.02013	11.6
131.99165	2.2
136.06833	1.5
136.98863	3.3
139.02515	1.7
141.00462	45.1
143.00165	4.0
143.02014	38.6
143.99722	4.5
144.02097	3.4
144.10306	4.2
144.97485	2.1
144.99947	46.4
145.01682	1.8
145.09837	15.7
145.99481	4.6
155.02028	18.7
155.99139	1.6
156.99883	4.2
157.03564	4.5
159.01517	29.3
160.01636	1.9
164.98291	5.4
167.01971	4.0
168.99950	73.7
170.00053	4.4
170.97823	14.9
171.01505	13.9
180.99924	8.6
182.97932	2.8
183.01483	7.3
184.99573	1.8
185.01093	2.3
187.00981	12.4
192.80963	1.5
192.99950	2.7
196.99431	52.8
197.99620	4.1
198.97360	10.2
198.99211	2.4
199.01007	7.6
210.02594	4.6
211.00937	2.4
215.00447	2.4
217.00598	3.0
224.98946	17.1
227.00484	35.1
228.00545	1.7
231.02039	1.7
244.99930	2.4
245.06943	4.3
246.06685	2.5
254.99973	26.4
256.00137	2.2
257.01541	10.5
258.14731	1.9
259.01639	19.1
260.01688	2.8
269.04489	9.5
273.00665	1.8
273.03241	5.8
286.18887	1.9
287.00882	27.5
287.06018	2.6
287.11282	8.0
287.13959	1.7
288.01007	5.7
288.07681	23.7
288.15384	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	287.0929
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.16637	0.2
59.37776	0.2
65.00325	0.2
69.39171	0.2
94.63056	0.2
102.39610	0.2
143.08702	0.2
146.36588	0.2
150.73853	0.2
159.50220	0.2
161.02396	0.4
171.04449	0.4
172.05305	1.0
173.05933	0.2
175.03989	0.5
180.05893	0.3
181.06612	0.5
181.30568	0.2
183.04503	0.2
183.59413	0.2
184.05330	0.3
185.06113	1.2
186.06886	1.0
187.03951	0.3
189.05583	0.7
196.05328	0.5
197.06097	1.8
198.06898	1.2
199.03976	0.4
199.07686	3.6
200.08421	3.4
203.07123	1.2
211.07648	0.5
212.04765	1.7
213.05563	0.9
215.03490	0.5
227.03609	2.7
227.07126	3.3
228.07825	1.1
229.05042	1.3
230.05797	0.9
231.06590	0.5
232.07487	0.3
237.05653	0.3
240.04305	9.3
241.05090	4.8
242.05499	0.3
243.02977	1.0
243.06631	0.4
243.17619	0.2
255.06650	15.7
256.07056	0.9
257.04642	0.8
257.08115	1.2
258.05319	2.8
259.05862	0.4
259.09869	0.6
262.04724	0.2
269.04535	0.4
272.06918	1.2
287.09268	100.0
288.09604	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	287.0929
Annotation	4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
54.68710	0.3
56.62899	0.4
59.01369	0.4
59.77518	0.4
63.30210	0.4
65.00325	1.0
69.06947	0.8
69.07350	2.1
72.17397	0.3
77.95329	0.3
98.21788	0.6
126.40204	0.4
136.98720	0.7
164.98293	1.1
171.08162	0.4
173.06064	0.7
184.05342	2.1
185.06102	13.9
186.06598	0.7
189.05588	5.2
193.17706	0.3
198.03246	0.6
199.07645	5.4
200.08435	8.0
203.03481	1.0
203.65749	0.3
211.04051	1.3
211.07640	0.6
212.04814	5.1
213.05530	1.1
214.05995	0.4
215.07161	1.3
225.05586	0.6
226.02693	1.4
226.06473	0.5
227.07162	10.5
228.07675	1.0
232.07469	0.5
239.03532	1.6
240.04305	24.7
241.04735	1.1
243.06551	1.1
243.10370	2.0
250.34590	0.3
253.05077	1.8
255.06648	59.4
256.06934	3.7
258.08981	1.0
259.09787	3.9
269.04657	2.9
272.03302	2.1
272.06430	0.4
287.09268	100.0
288.09641	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	287.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74268	0.2
58.02994	0.5
59.45337	0.2
62.69301	0.3
64.80029	0.3
69.78508	0.4
72.00965	0.3
72.04514	0.3
87.85446	0.3
90.99191	0.4
99.05657	0.5
100.04058	0.5
106.04253	9.4
107.05048	1.0
108.02187	0.7
119.05045	0.8
122.73657	0.3
127.05132	3.0
128.03552	0.9
132.04575	2.2
134.06145	4.3
136.07703	9.1
136.08760	0.5
137.08078	0.5
146.06197	0.4
150.01738	4.3
162.05597	2.0
164.07220	0.4
167.04396	13.6
172.03836	0.6
174.05310	0.9
176.06902	0.7
186.05405	0.6
190.08824	0.7
192.10358	0.4
207.01233	0.7
211.04950	0.7
212.06937	2.4
214.08427	0.3
223.08615	0.3
226.08475	0.5
239.08051	5.7
241.09619	0.3
243.08415	0.6
269.09106	7.7
270.09235	0.3
287.10162	100.0
288.02863	0.3
288.10529	5.3
293.10046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32197	2.1
71.01389	21.4
112.89409	0.4
115.00381	7.8
123.08186	1.0
125.09739	18.7
129.80060	0.4
143.24323	0.4
153.09152	0.4
164.98378	0.8
171.10289	100.0
172.10632	3.1
247.22128	0.5
269.04578	1.6
287.11111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01367	1.1
60.48512	0.6
64.71444	0.6
69.15537	0.9
69.15944	3.0
71.01389	18.6
76.20105	0.6
78.34032	0.8
80.96536	0.8
109.06587	1.2
111.08179	9.7
115.00387	8.8
125.09724	10.5
126.10088	0.6
164.98305	1.1
171.10283	100.0
172.10583	3.2
174.07129	0.6
194.22792	0.7
269.04593	2.3
287.05838	1.0
287.11331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03455	7.9
59.01386	100.0
60.01713	1.1
68.89940	0.8
69.03452	1.1
69.18977	0.8
71.01395	1.7
71.05029	1.1
71.40694	0.9
73.02940	1.5
73.29973	0.8
77.13748	0.8
83.01404	1.8
83.05023	3.3
84.02176	2.5
85.02960	87.0
86.03259	1.1
88.04043	1.5
93.03464	0.9
97.06593	8.5
97.38553	1.0
109.06590	3.8
111.04509	4.8
111.95891	1.0
115.00394	1.1
123.08183	2.2
137.06142	0.9
143.10857	0.9
181.12376	1.2
185.08165	5.8
207.13872	1.1
254.20244	0.9
269.04587	1.3
269.13922	1.3
287.15030	52.6
288.15060	3.9
297.46024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96264	1.0
55.01887	1.0
57.03448	9.6
59.01385	100.0
65.33382	0.8
69.03444	1.2
71.01385	3.3
71.05027	1.5
73.02964	1.0
81.03455	1.3
83.01371	1.0
83.05042	4.8
84.02168	2.1
85.02959	90.9
87.00857	1.3
88.04041	3.0
95.05019	1.2
97.06598	9.5
99.37371	0.9
109.06600	4.1
111.04545	6.5
113.02466	1.1
123.08188	2.0
136.98866	1.1
141.09128	1.1
164.98297	1.6
167.07143	1.1
173.11829	1.7
185.08179	5.5
196.01448	1.0
199.07643	1.4
209.08047	1.0
243.06781	1.3
244.15443	1.2
269.04614	2.0
269.14069	2.2
287.05551	1.4
287.15027	46.2
288.15009	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	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.93193	0.2
56.30061	0.2
57.03452	0.2
59.01382	0.5
61.12366	0.2
65.00320	0.6
69.17023	0.4
69.17419	0.9
77.73012	0.2
83.05098	0.2
95.05058	0.2
97.06606	0.6
99.08164	1.7
109.06632	0.4
129.09241	0.7
134.54640	0.2
136.98854	0.8
138.12544	0.2
141.11787	0.3
141.12865	2.0
155.14441	1.0
164.98337	1.3
185.11848	0.2
211.20634	0.3
239.20132	0.4
241.04909	0.5
241.21783	1.3
243.17570	0.4
269.04593	3.0
269.21231	3.0
270.04938	0.2
270.21567	0.2
285.20743	1.5
287.05472	0.5
287.22296	100.0
288.22638	6.2
288.25888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0769
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01086	0.5
59.01382	9.9
60.01719	0.4
64.22649	0.4
71.01406	0.6
71.38896	0.4
74.02466	0.8
84.08208	0.7
88.04044	0.8
90.97170	0.8
95.87036	0.4
114.98880	0.6
116.98608	0.8
117.00424	1.9
118.00544	1.4
118.96618	0.5
119.00212	0.9
120.50330	0.4
127.99039	0.5
128.07205	0.6
130.08749	100.0
131.09082	2.3
132.98242	2.7
141.98218	1.0
142.00597	0.8
143.01971	0.5
144.02127	0.8
144.10310	1.4
144.99960	1.1
145.99414	0.6
160.97658	1.0
170.00084	1.7
174.99289	1.0
184.97787	1.1
187.98804	0.6
196.99474	0.7
197.99658	0.8
227.97751	1.4
228.00780	0.6
228.07364	0.7
244.04890	2.9
244.13005	0.8
246.06595	4.6
256.00241	0.7
260.01816	0.7
288.00943	1.4
288.07678	54.7
289.08011	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	288.1245
Annotation	Glycocitlone B
Peak:m/z	Relative Intensity
51.70075	0.4
59.01382	1.2
69.58469	1.6
71.05016	1.4
82.02989	1.5
84.59069	0.4
96.04555	1.0
98.21964	0.8
128.36475	0.4
131.05032	3.0
145.05417	0.7
146.06123	1.6
147.04533	9.1
151.51581	0.4
154.06660	1.5
156.04587	0.7
160.65472	0.4
171.08153	0.4
172.04030	1.6
173.06104	1.7
184.04074	0.9
187.07645	5.8
196.07660	0.5
198.05611	6.4
200.03580	0.9
200.07074	0.5
202.05086	2.5
214.08719	4.3
215.07152	11.8
216.06598	3.5
229.08824	0.9
230.08237	36.7
231.08493	0.9
240.06631	0.8
254.08208	2.9
256.09802	3.0
257.10330	0.5
258.07715	47.2
259.07974	2.2
270.11349	2.3
288.12433	100.0
289.12769	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	288.1609
Annotation	Lycoramine
Peak:m/z	Relative Intensity
59.01368	0.4
81.03472	1.6
92.05060	1.1
93.03460	1.5
94.02969	0.4
107.03799	0.5
108.02158	0.5
108.04557	4.5
109.02972	5.1
111.31521	0.4
134.02498	37.3
135.03320	8.0
136.04060	38.7
137.02461	1.8
137.04338	0.9
148.04063	0.8
149.04840	1.9
176.03578	5.2
177.04237	0.7
190.05034	0.4
202.62939	0.4
241.63953	0.4
270.15094	0.4
270.27426	0.4
288.16083	100.0
289.16425	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	289.072
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03456	5.4
59.01380	2.3
67.54025	0.7
69.03447	1.7
69.44791	1.3
69.45171	1.0
71.01378	1.9
72.99314	1.8
73.02968	1.5
80.02676	0.9
81.03474	7.0
83.01406	6.2
83.05038	1.1
85.02961	1.4
93.03474	2.5
95.01405	2.1
95.05025	8.3
97.02956	13.6
98.22642	1.6
99.04510	0.9
108.02187	2.3
109.02964	51.2
111.08169	3.2
113.06131	0.8
115.04022	1.0
119.90080	0.7
120.52885	0.7
121.02945	5.6
122.03771	2.1
123.04543	38.7
124.04868	1.0
125.02461	30.8
135.04515	4.2
137.02464	17.6
138.03236	2.7
139.04007	7.0
145.02959	2.4
146.03766	2.6
147.04468	0.9
149.02492	7.8
150.03191	2.1
151.04019	18.9
152.01236	0.9
155.07178	0.8
159.04517	4.2
160.05321	3.1
161.02454	1.8
161.06105	9.7
162.03230	3.0
163.04036	2.4
164.01183	6.1
165.01964	6.2
166.02718	1.1
167.03502	2.4
173.06039	1.7
173.08232	5.1
174.03278	1.3
175.04034	3.9
175.07674	3.7
177.05637	1.5
179.03510	11.9
180.04129	0.9
185.06120	1.8
187.04054	7.7
188.04839	7.5
191.00336	2.1
199.07677	1.1
201.05600	1.7
202.06355	2.9
203.07166	21.3
204.07529	1.0
205.05092	13.6
212.04846	1.4
217.08774	1.2
221.08186	7.1
227.07135	3.6
230.05885	1.8
234.99203	1.4
245.01100	1.2
245.08215	35.3
246.08543	1.9
247.06195	1.9
256.91043	0.8
271.06000	1.7
272.53195	0.8
289.00327	2.7
289.07202	100.0
289.16428	6.3
290.07626	6.6
302.56140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75729	0.5
57.03451	3.3
59.01366	1.8
63.60526	0.5
63.70447	0.4
63.78602	0.4
69.12970	1.9
69.13372	0.6
70.00803	0.4
71.01388	10.5
72.99359	0.4
75.00873	0.6
79.63464	0.4
82.39362	0.4
83.05025	7.7
85.02953	2.2
88.04036	0.8
89.12312	0.4
90.49188	0.4
103.29220	0.4
109.06595	1.7
111.08169	52.8
112.08506	1.4
115.00364	6.5
129.09236	2.5
133.01437	0.8
151.09546	0.4
173.08194	100.0
174.08559	3.3
214.82478	0.5
277.79587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1085
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
54.77505	0.4
57.65749	0.3
59.01363	0.4
60.63017	0.4
70.19717	1.0
73.02955	1.9
103.70435	0.4
124.48412	0.4
131.35243	0.4
137.65810	0.3
145.02934	0.6
172.05305	2.6
173.06064	0.9
185.06044	0.7
186.06879	1.5
187.04033	0.5
187.07643	7.8
188.07976	0.5
197.06058	0.8
198.06870	4.7
200.04797	21.9
201.05450	2.7
201.09232	0.5
211.07603	1.6
212.08511	0.5
213.09224	34.5
214.09639	1.8
215.07132	100.0
216.07491	6.1
216.94476	0.4
228.04372	0.4
229.08627	0.7
232.03806	2.5
245.08195	0.4
245.11829	8.5
289.10843	38.9
290.11295	2.2
294.00284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98180	0.4
59.01392	0.7
69.19261	2.6
69.95866	0.4
71.01386	45.3
78.79085	0.4
95.36651	0.4
98.22700	0.8
115.00381	9.9
116.00675	0.5
127.11311	4.8
133.01443	0.9
141.10225	0.4
155.10788	1.0
173.11836	100.0
174.12180	3.8
204.23306	0.5
219.30367	0.5
222.49628	0.5
289.07263	0.7
289.12485	0.7
289.16675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1449
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
58.89656	1.5
59.01396	1.6
61.98816	2.1
71.05016	2.4
73.81798	1.4
80.71748	1.3
80.98923	1.3
81.36929	1.4
85.17704	1.3
93.03444	2.4
106.04237	2.0
111.27600	1.3
121.02970	5.5
129.93953	1.4
133.02966	28.3
134.03758	67.2
135.04573	9.3
137.02458	38.0
137.03514	2.1
139.04037	11.7
150.03259	3.2
161.02434	6.5
161.03583	1.7
168.72839	1.5
174.06845	1.9
178.02736	26.2
179.03462	4.7
192.97630	1.5
245.15424	11.4
247.63632	1.5
289.14474	100.0
290.14825	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	289.1448
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.34825	1.1
59.01374	2.9
61.01030	1.4
64.23763	1.2
66.05636	1.4
70.95856	2.0
77.55280	1.3
85.14491	1.3
93.03481	2.2
106.04266	1.8
109.02967	1.7
111.00900	1.9
120.28597	1.3
121.02975	5.2
133.02983	24.9
134.03761	75.8
135.04526	6.1
137.02451	31.5
139.04022	12.9
148.05453	1.2
150.03265	4.3
160.39386	1.4
161.02451	7.8
165.02078	1.2
174.06947	2.5
178.00385	1.5
178.02744	28.1
179.03494	4.5
198.03650	1.4
223.14053	1.3
243.26874	1.3
245.15450	10.0
245.19215	3.6
271.17062	2.1
289.14539	100.0
289.18045	14.1
290.14838	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	289.1449
Annotation	Chermesinone A
Peak:m/z	Relative Intensity
55.01871	2.7
57.03455	1.5
59.01384	2.5
67.01894	3.4
69.07788	7.3
71.01367	1.4
80.02670	1.2
86.15667	1.0
95.05018	6.5
97.06596	100.0
98.06908	2.2
98.21917	2.5
107.05035	1.8
109.06578	3.2
110.03756	1.3
119.08662	1.2
121.02940	1.6
121.06625	2.7
123.04511	3.3
123.08157	3.3
125.02480	1.1
133.06581	2.6
135.04541	2.7
135.08170	1.7
136.05334	1.2
137.09760	1.0
139.04018	8.3
143.10773	1.1
145.06601	2.4
147.08157	1.9
148.05336	1.4
149.06087	13.0
149.09698	1.6
150.06718	1.0
151.07672	6.4
163.07666	6.1
163.11267	1.1
165.09198	4.2
173.06119	13.5
174.06427	1.0
176.04773	1.0
177.30652	0.9
191.07166	31.4
192.07442	1.3
201.09163	1.5
237.74350	1.0
241.12352	1.3
245.12004	1.1
245.19104	2.1
255.10263	2.4
256.11087	13.9
271.13437	28.7
272.13586	2.1
273.11401	1.5
273.36606	1.1
274.12106	19.9
275.12378	1.4
289.14459	18.2
289.18082	25.1
290.14761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70869	0.8
55.01878	11.7
57.03453	8.4
59.01383	53.6
69.03435	1.3
69.27052	3.3
71.01387	100.0
71.05009	1.8
72.99289	2.5
73.02952	38.9
75.00872	2.2
83.01392	17.8
84.02140	1.1
85.02957	55.3
87.00861	4.4
89.02446	7.1
95.01387	9.5
97.02960	2.3
97.18694	0.8
97.92304	0.8
98.21967	1.6
99.00894	12.7
101.02451	60.7
102.02786	1.5
106.01297	0.9
111.00958	0.8
113.02464	40.0
119.03489	0.9
119.08672	1.2
125.02448	2.3
127.11327	4.3
129.01955	1.2
143.03419	1.1
159.03040	6.2
161.04562	15.5
181.16862	0.9
215.07143	4.8
289.10773	2.7
289.18225	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	289.1661
Annotation	oscr#14
Peak:m/z	Relative Intensity
53.97149	0.7
55.01891	2.1
57.03451	9.5
59.01384	100.0
67.64912	0.7
68.99834	0.7
69.30524	0.7
71.01385	1.5
71.05030	0.7
82.81622	0.8
83.01377	1.5
83.05029	4.5
84.02194	2.4
85.02959	89.7
86.03305	1.3
97.06566	1.1
98.22746	1.0
98.36222	0.7
101.06115	1.2
109.06622	1.6
111.04562	3.9
126.42339	0.7
129.09236	2.1
137.66467	0.7
142.81651	0.7
173.11816	1.7
175.35324	0.9
191.14445	0.8
209.15495	0.9
227.16415	0.9
271.15482	1.2
289.16589	48.8
290.16895	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	289.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.1
57.03445	8.0
59.01382	47.8
60.48239	1.1
69.03445	2.0
69.47879	2.8
69.48265	2.7
71.01389	100.0
71.05018	3.0
72.99294	2.6
73.02953	40.8
75.00896	1.6
83.01392	17.6
85.02958	57.4
87.00894	2.7
89.02467	6.5
95.01414	6.6
97.02953	3.0
99.00888	16.0
101.02454	63.4
113.02458	38.9
127.11284	4.1
129.01962	2.3
143.03537	1.3
150.06874	1.2
159.02995	7.2
161.04565	17.2
164.84529	1.3
201.09180	2.1
215.07164	7.8
218.03401	1.1
227.10367	4.1
242.12753	1.7
260.13626	2.0
271.05115	2.7
289.11191	1.4
289.14069	5.4
289.18198	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	289.166
Annotation	oscr#14
Peak:m/z	Relative Intensity
52.55838	0.8
57.03460	4.0
58.43176	0.7
59.01383	22.7
69.03456	0.9
69.16888	0.8
69.65498	0.7
71.01389	10.9
71.05039	4.3
73.02941	1.2
80.96526	1.4
81.88272	0.8
83.05041	4.8
85.06603	3.0
95.05016	1.1
97.02982	0.9
97.06588	1.9
99.04533	1.6
99.08173	2.0
101.06084	2.2
103.67447	0.8
109.06567	3.6
111.08172	9.2
112.08504	1.0
113.06133	1.3
115.04023	25.2
115.07648	3.3
123.08237	1.7
125.09756	1.6
125.12630	0.8
127.07674	1.6
129.09216	1.2
133.02940	0.9
135.04546	6.9
137.06177	1.1
139.07741	1.0
145.08733	1.9
153.09254	1.1
155.07173	7.5
155.10788	2.4
173.08247	4.0
173.09554	0.8
173.11845	1.5
179.03511	4.7
181.12234	1.0
201.95886	1.9
209.15527	0.9
215.14063	4.3
217.14488	1.4
230.87460	0.7
253.14452	2.7
271.15527	3.6
289.06671	1.5
289.16583	100.0
290.16977	6.2
303.21262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
77.26016	1.5
77.73011	1.2
83.02471	1.2
97.06590	1.4
98.21778	1.3
117.03483	1.3
119.08676	13.7
125.09753	2.0
145.06586	1.6
160.08968	8.5
216.65956	1.3
229.08522	1.4
233.15489	54.4
234.15836	2.8
245.19145	2.2
261.11346	4.1
270.47534	1.1
271.17151	1.9
289.10941	4.5
289.14603	3.1
289.18112	100.0
290.18408	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	290.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07143	0.5
57.36064	0.4
58.28803	0.5
58.45496	0.5
59.01398	0.8
65.99852	0.8
69.71889	1.3
71.05013	1.5
84.04547	3.2
95.05038	0.5
98.06113	1.4
98.21876	1.1
98.71476	0.5
102.05590	0.7
105.07130	1.2
107.03828	0.6
110.06144	0.6
132.05798	1.0
146.06079	0.7
148.04102	0.7
148.07707	9.4
161.09740	13.3
162.10110	0.6
174.09244	1.7
176.10802	0.9
185.11919	1.0
190.12523	0.6
204.10306	100.0
205.10628	5.1
246.14957	4.4
277.79547	0.6
290.13846	3.0
290.18384	0.9
291.19586	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	291.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.1
59.01374	0.5
59.96732	0.2
60.97515	0.6
70.91871	0.2
74.99072	1.6
91.19063	0.1
93.00119	0.6
97.06647	0.1
121.02934	0.2
121.10261	0.3
125.09756	0.3
126.82213	0.1
134.99356	0.2
136.97322	0.1
143.05315	0.3
149.00967	2.5
161.06429	0.9
173.20816	0.1
185.11864	0.2
192.98149	1.5
193.98233	0.1
206.99809	0.5
209.01291	4.7
210.01302	0.3
210.99260	0.1
217.07217	2.3
218.07535	0.2
225.00807	0.6
235.02823	0.1
247.20584	0.2
263.20297	0.2
273.22272	0.2
275.06012	0.9
289.07565	2.8
290.07648	0.3
291.09125	100.0
291.19687	4.2
292.09244	9.6
292.20047	0.2
293.06833	0.2
309.10123	1.3
310.10400	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	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62579	0.2
58.84938	0.2
59.01370	0.4
60.97509	0.6
62.48876	0.2
68.99882	0.2
69.88159	0.5
74.99075	1.7
93.00144	0.6
94.16714	0.2
115.82011	0.2
117.17668	0.2
134.99478	0.3
143.05313	0.3
146.37808	0.2
149.00964	2.1
161.06396	1.0
164.36113	0.2
192.98178	1.0
206.99713	0.7
209.01280	4.1
217.07219	2.2
225.00732	0.5
237.28220	0.2
263.16525	0.2
272.06512	0.2
275.06079	0.9
289.07565	2.4
290.07663	0.4
291.09131	100.0
292.09244	9.0
295.78769	0.2
299.36691	0.2
301.67017	0.2
309.10211	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	291.1606
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
59.01375	2.2
72.41863	0.5
72.52512	0.5
83.01393	0.7
83.17092	0.5
111.08186	1.5
121.02975	2.1
121.10281	1.3
125.09750	1.6
127.11290	0.7
133.02972	22.6
134.03769	16.0
135.04547	11.6
137.02470	6.0
139.04045	1.9
150.03271	0.7
161.02460	40.4
162.02812	1.3
178.02734	2.3
179.03517	4.8
185.11845	1.5
193.16005	0.5
195.13895	1.0
209.04601	0.7
247.17146	0.7
247.20749	1.0
263.20230	1.7
273.18597	2.4
291.16043	100.0
291.19638	32.2
292.16382	6.8
292.19925	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	291.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.8
55.49319	1.4
57.03450	8.3
58.00594	1.6
59.01384	79.2
64.51784	1.4
69.53436	3.2
69.53824	2.6
71.01386	98.2
72.29205	1.4
72.99321	4.6
73.02952	45.2
75.00869	2.0
83.01390	23.3
85.02953	58.1
86.00124	2.4
87.00890	3.0
89.02460	11.5
95.01382	8.1
97.02962	3.0
98.22646	1.8
99.00878	19.6
101.02451	100.0
102.02789	1.8
111.00887	5.1
113.02464	51.0
119.03489	1.6
121.02959	1.8
127.11288	2.2
129.01967	2.4
129.12903	1.7
131.03575	1.8
143.03523	3.4
159.02954	7.1
161.04570	23.1
179.07141	4.4
181.71011	1.5
221.95515	1.7
281.48108	1.6
291.18155	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	291.1818
Annotation	B-Octylglucoside
Peak:m/z	Relative Intensity
55.01883	5.1
57.03447	3.7
57.86495	0.5
58.00596	1.0
59.01385	100.0
60.01722	0.6
69.03465	2.5
71.01387	30.7
71.38925	0.8
72.99315	2.1
73.02953	81.1
78.03632	0.5
83.01398	12.4
85.02960	22.5
87.00887	6.7
89.02444	3.5
91.51180	0.6
95.01418	1.4
97.02965	1.9
97.06602	1.2
99.00894	4.2
101.02457	53.4
112.01670	0.9
113.02460	7.0
119.03488	1.8
124.01672	2.2
125.02448	1.1
127.11301	0.7
139.74205	0.6
142.48201	0.7
143.03511	1.0
150.03200	0.6
160.01544	0.7
161.04575	48.5
162.04865	1.5
165.12869	1.7
209.11839	12.6
217.07690	0.7
291.18091	65.0
292.18332	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
59.01386	2.9
61.61403	0.3
68.72894	0.3
69.03478	0.4
70.21828	0.7
71.01385	0.4
77.41332	0.3
83.05032	0.6
93.07102	1.2
95.05000	0.4
97.06589	1.7
111.08172	3.0
117.93069	0.3
121.10246	13.7
122.10549	0.3
123.08139	1.2
125.09735	7.1
133.48820	0.3
141.12872	1.1
147.08188	0.9
163.11336	0.4
165.12811	0.8
167.10759	0.7
171.10294	0.4
177.12781	0.6
179.10713	0.5
185.11845	14.2
186.12296	0.4
195.13956	1.4
197.11852	3.5
209.11823	1.2
211.13393	1.7
223.13390	1.2
247.13449	0.6
247.20668	1.5
249.14981	0.8
263.20349	0.4
273.18680	1.6
286.58261	0.3
289.17969	0.5
291.09293	1.6
291.19681	100.0
292.20053	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01376	1.2
63.51432	0.4
63.76559	0.3
70.67393	0.8
71.28285	0.3
85.77514	0.3
98.22289	0.5
119.05028	0.4
121.02950	0.6
148.08952	1.4
150.10522	1.2
151.11334	0.7
163.11270	1.3
165.12856	22.8
166.13210	0.8
175.11273	0.7
176.12132	0.4
177.12852	0.5
191.14412	0.8
217.15935	0.5
245.19313	0.4
247.20683	9.9
248.21046	1.0
273.18646	7.1
274.19073	0.6
291.19675	100.0
292.20056	7.5
303.18463	0.4
305.57178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47674	1.4
59.01368	6.9
59.45799	1.5
59.95250	1.5
65.24794	1.3
69.09818	9.3
70.07828	1.7
71.05028	29.9
77.08885	1.6
84.60764	1.5
97.06607	11.9
98.22702	3.1
99.36417	1.5
106.33706	1.8
121.02963	4.6
148.01544	1.5
181.12334	2.2
183.67776	1.9
195.13834	1.7
207.13869	3.1
209.04570	3.0
219.13908	4.5
235.17023	2.7
247.16988	2.0
247.20830	1.9
270.23871	1.5
291.04343	1.8
291.19693	100.0
292.20029	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97005	0.4
51.21589	0.5
52.78629	0.5
57.03446	2.5
59.01369	1.3
69.25967	2.7
88.95406	0.5
93.07106	1.3
97.06602	2.0
98.22734	0.8
118.79180	0.5
121.02987	1.0
121.10249	14.6
123.08157	1.6
125.09741	8.2
126.10081	0.6
141.12914	1.2
147.08182	0.8
163.11359	0.5
183.10263	0.6
185.11847	16.5
186.12178	0.9
197.11871	3.8
209.04634	1.1
209.11836	1.4
211.13414	2.2
223.13431	1.5
229.19710	0.5
247.13460	0.5
247.20712	1.4
273.18674	1.1
291.19684	100.0
292.20041	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	291.1969
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
55.12490	3.1
55.41111	3.6
59.01383	10.0
61.25714	3.4
70.32557	8.2
70.32906	4.5
73.94460	3.4
78.00621	3.2
88.25882	3.1
97.06601	100.0
110.37980	2.9
117.94186	3.1
119.10732	3.4
121.02969	12.4
155.55428	3.0
171.10263	3.5
183.13921	4.7
193.12338	28.9
209.04428	4.2
211.13423	72.6
263.20129	5.6
282.28455	3.5
289.53030	3.6
291.08914	4.4
291.19644	94.1
292.19968	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	291.2333
Annotation	Grevillol
Peak:m/z	Relative Intensity
74.11827	0.5
74.99091	0.7
121.02961	1.0
149.00920	1.3
192.98137	0.7
209.01300	2.2
209.04539	0.8
217.07220	1.4
229.38472	0.5
289.07617	1.0
291.05713	1.2
291.09122	55.3
291.23309	100.0
291.76196	0.6
292.09262	6.9
292.23676	6.7
309.10336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85696	0.5
55.01870	0.8
57.03441	0.8
59.01384	56.0
60.01717	0.7
69.03439	0.7
69.63138	1.3
69.63528	1.2
70.56268	0.6
71.01389	22.1
72.99323	1.0
73.02946	1.5
79.95706	0.7
83.01379	1.4
85.02953	5.3
85.06596	15.1
85.07111	0.7
87.00883	1.3
87.98422	0.6
88.05314	0.5
89.02452	20.6
93.00144	0.5
93.03480	0.8
95.01426	1.4
98.30026	0.5
99.70883	0.6
101.02451	15.1
102.90105	0.5
113.02470	9.0
113.06112	5.2
115.07655	1.9
119.03510	9.7
127.07708	2.1
131.03539	0.9
131.07155	64.9
132.07463	1.3
133.02965	0.6
143.03517	1.0
148.21014	0.6
149.06108	0.6
161.04619	0.8
161.05984	0.7
173.08188	2.4
179.05591	1.0
195.72539	0.5
196.43355	0.7
243.19585	0.8
293.12451	100.0
294.12891	5.0
294.55240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1399
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
51.76173	0.4
59.01384	50.2
62.16555	0.4
87.04515	0.5
95.04973	0.6
95.66761	0.4
97.06586	1.5
107.05000	0.6
107.30541	0.5
107.38593	0.4
109.06598	0.9
125.59727	0.4
133.02930	0.9
134.03757	6.4
135.04553	3.5
135.08131	0.5
137.06050	0.8
137.09702	0.8
153.37631	0.5
163.11263	1.1
165.05573	0.5
165.09122	0.5
177.01973	1.0
178.02728	3.0
179.03511	0.7
187.14822	0.4
190.09970	2.5
203.07150	2.5
205.12321	2.9
208.11165	0.5
218.09480	12.3
221.08199	7.1
233.11841	25.2
234.12247	1.7
236.10556	7.0
249.11296	0.9
249.15038	0.9
251.12898	100.0
252.13255	5.8
293.13977	59.7
294.14386	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	293.1398
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
59.01382	49.9
60.01668	0.7
71.40588	0.5
73.02923	0.4
87.04491	0.4
97.06569	2.0
107.99442	0.4
109.06567	0.7
110.93251	0.4
115.31926	0.4
134.03735	5.3
135.04535	2.8
135.08194	0.4
135.93663	0.4
136.05193	0.4
137.06096	0.5
140.50629	0.4
163.11270	1.1
178.02780	2.0
179.03453	0.7
190.10010	1.6
191.94246	0.5
193.08575	0.5
195.10220	0.7
203.07166	1.8
205.12390	2.4
208.11009	0.6
215.10779	0.7
218.09482	11.1
219.09743	0.8
221.08218	6.5
233.11826	22.9
234.12177	1.7
236.10562	6.3
249.11485	0.4
249.14938	1.1
251.12894	100.0
252.13239	5.1
293.13962	61.2
294.14337	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31168	0.5
71.01386	7.9
79.05986	0.2
94.15080	0.2
95.84978	0.3
98.22650	0.3
121.40376	0.2
148.05316	1.6
148.56462	0.2
151.02200	0.3
153.55711	0.2
164.08435	1.6
165.08731	0.3
168.93712	0.2
173.44801	0.2
177.09229	5.5
177.10686	0.5
190.09962	0.5
192.11574	6.9
193.12195	0.7
205.12344	8.7
206.12727	0.4
217.08711	0.4
218.09502	2.1
220.14699	49.5
221.15468	100.0
222.15848	5.4
236.10545	70.1
237.10957	3.4
264.83551	0.3
293.14224	0.4
293.17587	7.9
293.20917	0.5
294.17987	0.4
296.60382	0.2
297.90356	0.2
305.96069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13399	0.4
57.45977	0.4
57.70131	0.5
69.89116	1.5
71.01372	0.6
75.66154	0.5
79.95734	2.2
93.65029	0.4
95.95291	0.5
96.96020	100.0
99.92570	0.5
116.92932	0.5
127.07187	0.4
136.08943	1.3
136.35823	0.4
168.65215	0.5
178.99756	0.5
192.11613	1.6
193.15962	1.8
205.12360	0.7
220.14680	5.1
221.13258	0.6
221.15466	10.6
236.10567	7.4
249.18742	1.0
293.17953	68.5
293.24832	14.3
294.18240	4.3
294.25266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51542	0.7
68.65698	0.6
71.01379	2.5
71.41309	0.7
79.95772	2.3
81.44998	0.6
84.30929	0.6
96.96020	100.0
136.09003	1.3
136.21240	0.7
177.09254	0.9
192.11565	2.3
193.15973	4.1
220.14708	10.0
221.15480	23.2
222.15875	1.7
236.10545	16.2
236.12833	1.1
237.10982	0.9
249.18567	1.8
293.09027	2.4
293.17938	96.9
294.18213	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01379	2.4
61.98835	1.3
63.63317	0.5
68.70515	0.5
69.03452	0.8
69.23785	3.2
69.58511	0.6
71.01375	1.2
83.05038	0.7
84.02219	0.6
95.08611	0.6
96.96004	0.6
123.08151	1.4
136.08960	2.0
139.11334	0.9
145.49768	0.6
151.11313	2.3
153.12816	0.7
169.12346	3.5
177.09233	1.2
181.57060	0.5
192.11545	1.6
193.16008	2.9
197.11842	34.2
198.12169	0.9
211.13441	0.6
220.14722	4.6
221.15479	9.7
231.21155	0.9
236.10556	6.5
249.14896	0.5
249.18666	1.7
249.22322	0.9
251.12755	0.7
275.20178	17.3
276.20529	1.7
293.21240	100.0
294.21545	7.5
314.63132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
56.62579	0.8
59.01378	2.5
67.41857	0.7
70.72742	1.4
71.01377	1.3
80.72291	0.9
93.03481	3.9
116.26306	0.7
118.83096	0.7
193.16043	1.3
209.15305	0.8
220.14661	1.1
221.15460	3.2
231.21167	1.5
235.80954	0.7
236.10619	2.2
249.13007	0.8
249.18625	2.0
263.20197	14.8
264.20532	1.2
265.21854	1.4
275.20178	38.1
276.20496	2.2
293.17981	3.2
293.21240	100.0
294.21552	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	293.2127
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.86494	0.8
59.01372	2.2
61.98827	5.0
64.73368	0.7
70.72753	1.4
71.01389	1.4
77.98334	0.7
92.92793	1.5
98.37012	0.9
121.02980	0.9
136.08966	1.9
150.94264	0.8
152.91827	1.2
166.56966	0.7
167.10724	0.8
171.10280	1.5
179.14449	1.8
192.11613	1.3
193.16057	2.0
194.16316	1.0
194.92914	1.1
195.13884	12.6
196.14706	2.6
205.12381	2.3
205.15941	1.2
211.13576	1.3
220.14732	4.5
221.15506	8.1
223.13429	11.3
224.13957	0.9
231.21255	1.2
236.10573	7.5
256.13177	4.3
265.21854	1.3
275.20193	12.8
293.21259	100.0
294.21552	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
69.12773	1.3
69.13186	2.0
97.06585	1.4
122.56637	0.5
123.08177	0.7
125.09726	4.5
125.35223	0.6
141.12874	1.4
149.09746	1.8
153.36278	0.5
163.93013	0.6
185.11848	10.0
197.11842	2.5
249.22147	1.0
293.21246	100.0
294.21594	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	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.49059	1.1
59.01379	4.4
61.98846	2.0
68.02376	1.0
70.70559	1.7
71.17729	1.0
77.50936	1.2
92.92809	1.3
98.22420	1.4
121.10250	47.5
125.09679	1.5
136.08990	1.2
142.94333	1.2
152.91760	1.2
157.54034	1.2
171.10294	80.5
172.10699	2.4
173.74048	1.3
177.16490	1.5
183.13847	4.3
185.11877	2.7
192.11446	1.1
193.15938	2.2
211.13492	2.1
220.14749	2.8
221.15482	5.0
231.21234	4.7
236.10551	3.7
275.20184	100.0
276.20575	6.4
293.17917	2.6
293.21249	67.3
294.21677	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.1
59.01386	2.8
70.72754	0.8
92.93330	0.5
97.06586	0.6
113.09735	19.2
121.10265	1.4
132.03336	0.5
139.11282	2.2
163.12518	0.6
167.10811	1.7
171.10309	2.0
177.12885	1.6
179.10715	1.8
195.13974	3.1
195.17627	0.7
221.15538	1.1
223.74823	0.6
249.22264	2.0
255.19388	0.6
275.20151	3.7
283.32083	0.6
293.21249	100.0
294.21570	7.4
299.07288	0.6
300.41855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
Peak:m/z	Relative Intensity
61.98810	1.8
71.01382	1.5
71.38725	1.3
83.04992	1.8
86.79958	1.1
96.96019	7.4
98.55846	1.1
112.34360	1.2
113.09708	1.8
131.05016	6.5
136.08937	3.6
139.11301	2.6
150.00433	1.2
153.12843	1.5
171.61913	1.1
175.39912	1.2
178.62207	1.3
182.42226	1.2
190.58929	1.1
191.18037	3.6
192.11598	2.6
193.15948	5.5
205.12338	1.8
220.14713	10.0
221.15471	26.3
222.15912	1.4
236.10526	15.3
247.20853	2.2
249.18681	1.6
265.08725	10.6
275.20215	1.3
293.08426	2.3
293.17877	11.1
293.21213	100.0
294.21487	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	293.2126
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.71521	0.5
57.03448	1.5
59.01384	4.7
62.15386	0.4
69.03457	0.6
69.53423	2.2
69.94357	0.4
71.01381	2.2
81.74275	0.4
97.06622	0.7
105.83377	0.5
113.09737	3.2
121.10249	4.4
123.08190	0.8
125.09711	3.1
125.45884	0.4
139.11226	0.5
141.12823	0.9
149.09734	1.4
153.92564	0.5
156.13908	1.3
157.14275	1.4
171.10275	7.3
172.10625	0.4
175.08376	0.5
177.09288	0.9
177.12918	0.6
185.11833	5.8
192.11597	1.4
194.92877	0.6
195.13914	4.3
196.14487	0.6
197.11882	1.4
205.12436	1.5
209.15544	0.8
220.14700	8.5
221.15459	17.0
222.15823	0.7
223.13370	3.3
231.21216	0.9
235.17096	1.1
236.10561	10.6
237.11006	0.6
249.22339	0.8
250.15286	0.6
251.12856	1.3
256.13162	1.4
275.20197	13.5
276.20404	0.7
293.09070	1.1
293.21231	100.0
294.18341	0.9
294.21567	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	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97039	0.3
57.03449	0.4
59.01382	2.2
61.98821	1.6
70.22910	0.4
70.64516	0.7
71.01376	1.4
79.83363	0.4
79.95742	1.0
95.05095	0.4
96.96007	1.5
97.06565	0.6
111.08132	0.8
113.09740	0.9
121.10245	0.4
125.09703	0.4
131.16490	0.4
131.43532	0.4
136.08957	2.6
152.91721	0.4
165.49054	0.4
167.10762	1.0
171.10286	0.5
177.09277	0.8
177.12793	0.5
179.14406	1.0
185.11758	0.5
185.87506	0.4
191.21762	0.4
192.11563	2.8
193.15991	5.4
194.92766	0.8
195.13918	12.8
196.14601	2.2
201.93890	0.4
205.12323	1.6
205.15973	0.5
220.14703	5.9
221.15469	14.3
222.15839	0.9
223.13385	9.2
224.14023	0.7
228.13608	1.0
231.21188	0.5
236.10555	9.8
236.12852	0.7
237.11082	0.5
249.18611	1.9
249.22328	0.7
251.12848	1.0
256.13165	3.1
265.21683	0.9
267.43335	0.4
275.20181	9.2
293.17911	7.3
293.21228	100.0
294.21555	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.21279	0.1
52.51759	0.2
71.01392	0.2
95.95135	0.1
96.96021	4.8
98.22777	0.4
104.43610	0.2
136.08948	0.4
140.37070	0.2
177.09148	0.2
192.11418	0.2
193.15936	0.3
199.42810	0.2
205.12265	0.2
210.42851	0.2
220.14677	1.3
221.15474	2.6
222.15765	0.2
230.51041	0.2
236.10596	2.0
249.18721	0.3
265.74231	0.2
293.18088	5.5
293.24881	100.0
294.18170	0.4
294.25220	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	293.2489
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.57479	0.2
66.17039	0.2
96.96024	2.6
102.12840	0.2
130.14484	0.2
136.09021	0.2
192.11609	0.3
193.15999	0.4
193.40128	0.2
220.14709	0.9
221.15497	1.5
236.10519	1.0
244.55202	0.2
246.53645	0.2
249.54353	0.2
278.50952	0.2
293.18231	2.4
293.24887	100.0
294.25226	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	295.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55736	0.5
59.01374	0.6
61.82706	0.5
62.60320	0.5
69.55775	2.1
71.01388	13.7
72.99306	3.3
75.00881	0.9
88.13857	0.5
89.02459	2.0
91.05758	0.5
92.57105	0.5
115.00385	39.9
116.00754	0.6
119.05042	1.6
133.01445	100.0
134.01823	2.3
134.03748	0.6
135.04544	12.5
149.04555	2.3
163.03976	2.6
164.49284	0.5
179.03519	12.1
280.48419	0.6
308.85065	0.5
314.57962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.51631	0.8
51.72377	0.7
66.06611	0.7
69.04485	4.7
71.01391	14.8
72.99321	2.7
89.02463	2.6
91.95826	0.8
115.00382	44.0
133.01443	100.0
134.01770	2.4
134.03745	0.8
135.04530	13.0
179.03520	10.1
226.20343	0.7
227.26489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13381	0.9
59.01377	2.9
61.35862	0.8
64.67584	0.8
67.43796	0.8
69.03455	7.5
69.65893	2.1
71.01388	14.4
72.99307	4.5
75.00865	3.4
78.56573	0.7
80.14315	0.7
87.00887	5.7
87.04497	2.8
89.02454	2.5
93.03447	1.0
96.40316	0.8
101.02436	3.7
115.00384	32.5
119.05035	69.2
120.05357	2.3
121.13117	0.8
131.03506	17.3
133.01442	86.5
134.01782	0.9
134.03810	1.1
134.04729	5.1
135.04552	11.9
138.02808	0.9
145.02945	1.5
149.04568	6.6
150.03215	0.9
163.04022	100.0
164.04341	3.4
179.03503	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	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
52.70166	1.6
59.01383	25.6
65.00328	2.3
69.49889	7.7
73.43739	1.7
81.03450	9.0
93.03458	6.4
97.02950	4.0
98.22572	4.2
99.00906	2.1
109.02954	14.7
110.00081	3.9
122.00096	11.9
123.00890	7.2
125.02427	2.4
125.99616	5.6
137.02461	100.0
137.99590	6.6
139.00345	2.1
141.02052	2.7
153.01950	6.5
153.99078	3.5
155.03548	24.8
179.06966	2.0
179.10757	2.6
181.01434	51.7
182.01811	2.2
196.03784	56.4
197.04201	3.4
220.11139	2.6
235.13326	9.7
251.12927	2.7
253.14471	32.6
254.14911	2.1
280.09598	25.0
281.09845	2.4
295.11865	90.5
295.15479	31.0
296.12347	6.6
296.15762	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1553
Annotation	TALAPEROXIDE A
Peak:m/z	Relative Intensity
53.19681	0.8
55.01900	0.9
59.01383	83.4
70.63578	1.8
95.01410	0.9
95.05058	1.0
97.06579	0.9
97.21291	0.8
130.57437	0.9
137.02461	2.4
137.09634	0.9
151.11256	2.1
179.10779	10.0
203.11385	0.9
207.13885	0.9
217.12401	1.4
220.11047	7.8
235.13397	42.8
236.13744	2.6
238.12138	4.3
244.96005	1.0
251.12846	1.5
253.14452	100.0
254.14871	5.9
295.12137	3.9
295.15512	89.5
296.15845	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	295.1917
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.01581	0.3
59.01298	0.3
69.67696	1.2
90.00766	0.4
137.06015	0.4
138.06885	2.1
151.07501	1.1
164.08392	0.8
170.05878	2.5
171.10289	3.0
233.19032	1.6
237.17537	0.5
246.48479	0.4
249.18431	0.4
251.20189	3.8
259.17023	0.4
277.18115	70.2
277.21445	3.8
278.18469	5.3
279.09268	0.6
295.08932	2.8
295.19202	100.0
295.22641	10.4
296.05780	0.4
296.09256	0.4
296.19565	7.3
296.22818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03454	0.4
57.27468	0.3
69.03458	0.4
71.33256	0.4
71.33638	0.2
83.05045	0.6
85.75114	0.2
95.05067	0.4
96.96019	0.5
97.06629	0.6
98.95611	0.7
101.02446	1.2
109.06622	0.7
124.45344	0.3
127.11275	1.4
139.11223	0.5
141.12866	9.3
155.14424	3.8
169.16002	0.5
181.15878	0.4
231.21172	0.4
247.20688	0.5
248.66481	0.3
249.22226	8.9
250.22549	0.7
251.23836	0.5
277.21698	1.1
293.21368	0.4
295.22784	100.0
296.23105	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.56033	0.4
59.01374	0.3
83.70646	0.4
86.53208	0.4
99.55874	0.4
107.10445	0.4
119.54893	0.5
148.75873	0.4
167.12306	0.5
233.75279	0.4
259.11996	0.5
265.21817	2.6
277.21857	3.8
293.21170	0.9
295.22797	100.0
296.23160	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59359	0.6
56.97380	0.6
59.01381	1.1
69.37370	3.2
84.59055	0.6
113.09738	1.8
113.62090	0.6
137.82922	0.7
143.03975	0.7
154.61099	0.5
171.84557	0.7
179.14429	0.7
195.13925	18.0
213.43433	0.7
259.70813	0.6
277.21747	19.6
295.22800	100.0
296.23215	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01368	1.8
69.03464	0.6
71.03693	0.6
99.08177	1.2
106.47275	0.6
123.11745	1.0
125.09721	2.1
127.11269	0.7
132.78474	0.6
141.12935	1.0
153.14639	0.6
169.76022	0.5
171.10283	44.0
172.10600	0.6
180.38348	0.6
202.81871	0.7
233.22523	0.7
250.54475	0.6
257.33121	0.7
259.20764	0.7
277.21750	57.0
278.22110	2.8
295.22797	100.0
296.23166	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
62.45453	1.2
69.99860	2.7
70.00215	2.4
75.61606	1.2
90.25366	1.2
99.74001	1.2
109.83426	1.1
136.22498	1.2
171.10278	32.9
172.10538	1.4
195.13815	2.5
277.18307	3.5
277.21735	47.4
278.22177	2.1
293.52966	1.2
295.19495	3.4
295.22791	100.0
296.23102	9.0
301.14444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.79710	0.8
56.15494	1.0
57.03447	2.2
59.01388	1.2
59.74531	0.9
67.92654	0.9
70.18594	2.3
85.49104	0.9
89.94706	0.9
103.48941	0.9
105.33825	1.0
125.09713	2.7
138.05051	1.1
141.12859	3.0
141.41907	0.9
152.03780	0.9
157.48729	0.8
162.72107	0.9
171.10304	2.0
185.11815	1.7
195.13919	2.5
218.12230	0.9
237.56369	0.9
251.23965	1.2
277.21790	3.0
281.44864	1.1
295.22794	100.0
296.23148	6.1
304.05347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.58471	0.6
57.03447	0.9
59.01373	3.1
69.03442	0.9
70.52142	1.1
70.52493	0.9
85.95782	0.6
99.08159	0.8
120.01411	0.6
125.09737	2.1
128.63315	0.7
141.12888	0.7
151.11281	0.8
168.37558	0.7
171.10278	43.5
172.10609	1.6
277.21750	53.5
278.22183	3.9
293.36301	0.7
295.22784	100.0
296.23102	6.9
297.09909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52465	2.4
74.99077	7.9
89.04286	9.2
93.00150	3.1
116.72787	1.3
121.06610	14.5
130.20442	1.3
149.00969	56.0
150.00989	2.9
163.11288	12.9
183.01234	7.6
184.01938	1.6
185.29268	1.3
199.43372	1.1
206.99612	1.6
208.97627	1.7
223.02844	8.1
225.00803	1.5
264.98453	29.1
265.98544	2.4
281.01730	5.7
282.99524	3.7
290.18185	1.2
297.04718	100.0
297.15289	15.2
297.18640	10.8
297.24249	13.7
298.04785	10.8
299.02682	11.4
315.05716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98850	1.5
69.99236	1.3
71.18826	0.7
74.99074	4.0
79.33540	0.7
89.04302	6.7
93.00141	2.3
97.78664	0.7
100.69622	0.7
149.00970	47.3
150.01009	1.6
159.17236	0.7
183.01215	3.5
186.43390	0.7
206.99786	1.7
223.02875	6.0
239.43544	0.8
264.95624	1.4
264.98468	25.5
265.98596	2.1
281.01563	5.8
282.99561	2.7
296.23199	2.5
297.04733	100.0
297.15280	8.6
297.24313	10.5
298.04794	8.1
299.02643	10.5
300.02545	0.8
301.00662	2.0
315.05753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01871	1.8
56.49236	0.7
57.03459	1.8
59.01384	100.0
60.01728	1.6
67.43329	0.8
70.70570	1.0
71.01388	46.7
72.01759	0.8
72.99315	1.0
73.02949	7.7
79.80916	0.8
81.03440	0.9
83.01413	3.1
83.79411	0.7
85.02961	13.7
87.00892	2.6
89.02452	55.6
95.01366	3.8
99.00878	1.8
101.02450	32.0
103.03996	0.9
110.51980	0.8
113.02458	20.8
117.05618	0.8
119.03510	23.7
119.04342	1.5
120.51823	0.7
125.02383	0.9
128.07190	1.3
130.08780	2.1
131.03557	1.9
135.06651	18.2
143.03529	4.0
149.04572	2.1
159.02937	1.1
161.04572	13.1
179.05614	12.9
235.29396	0.8
237.09824	3.2
297.11932	40.4
298.12271	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	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03450	1.3
59.01383	100.0
61.01780	1.2
67.24914	1.5
70.59949	1.3
71.01385	51.4
71.38361	1.3
73.02949	6.4
75.00862	1.5
83.01403	2.5
85.02955	12.7
87.00890	3.1
89.02452	50.7
95.01405	4.9
101.02447	26.6
103.03982	1.5
113.02465	19.1
115.03992	1.4
117.05505	1.4
119.03506	21.4
135.03027	1.3
135.06662	19.6
143.03545	3.8
149.04527	1.7
153.95604	1.6
161.04611	9.5
179.05609	9.9
185.53496	1.4
200.80772	2.1
220.61395	1.4
235.75052	1.4
297.08286	6.2
297.11844	38.7
306.76978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
57.04646	0.4
59.01371	1.7
65.15949	0.4
70.55193	0.9
71.01373	1.2
72.00911	0.9
74.02470	4.2
82.02995	3.7
83.05032	0.6
84.04556	9.3
85.02954	2.8
86.02489	1.4
95.01411	0.5
99.92570	1.2
109.02930	0.7
109.07690	0.5
116.03497	0.5
120.01260	15.2
128.03552	6.7
128.10800	0.9
133.06606	11.0
134.04752	3.2
135.04367	1.1
135.05211	0.8
137.02490	1.4
140.10811	0.7
141.10342	3.3
142.12335	0.5
153.01865	1.2
154.12386	0.6
167.11893	1.3
168.01517	3.3
169.13507	2.6
171.15050	4.7
177.05573	10.7
181.01443	1.1
191.10779	0.9
195.11417	0.7
197.12967	33.1
198.13202	1.1
209.11754	0.9
210.02591	4.8
215.14011	100.0
216.14342	3.2
217.15335	0.5
235.09819	0.7
245.99858	0.5
253.10907	1.0
262.95840	0.5
287.18698	0.5
297.09695	2.6
297.13644	2.4
297.24319	1.1
298.07275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81478	0.5
58.02960	0.6
59.01373	1.6
71.40315	0.5
72.00902	0.6
74.02477	3.2
81.03423	0.4
82.02991	5.7
82.06620	1.0
83.03338	0.6
84.04555	8.2
85.02941	1.6
86.02494	2.1
100.04038	0.7
109.03023	0.6
120.01257	14.3
122.03705	0.4
127.05103	1.1
128.03545	5.8
128.10834	1.2
133.06602	9.3
134.03734	0.7
134.04700	0.5
136.04082	2.5
137.02429	0.8
141.10342	3.0
142.12344	0.5
149.06104	0.6
149.09795	0.6
151.70497	0.4
154.12410	0.7
167.11888	1.7
168.01544	2.9
169.09715	0.4
169.13481	2.9
169.14738	0.4
171.15067	5.7
177.05583	9.7
178.05106	0.9
181.01500	0.9
195.11385	0.7
196.31709	0.5
197.12962	36.2
198.13327	1.2
206.47679	0.4
208.99181	1.8
209.11906	0.6
210.02582	4.6
211.02888	0.4
213.96567	0.4
215.14009	100.0
216.14388	3.4
251.11188	1.1
253.10826	0.8
297.00406	0.5
297.11743	1.0
297.14398	1.1
298.09714	2.4
307.00803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1498
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
52.55368	0.8
55.00556	0.9
59.10677	0.8
65.18699	0.8
70.83532	1.3
79.95760	1.0
93.03483	1.2
93.24682	0.8
96.23881	0.9
117.03478	52.0
118.04285	18.4
119.05042	43.2
119.05930	1.3
121.02966	24.6
123.04546	5.3
133.02950	4.5
134.03708	1.5
145.02969	5.9
162.03239	8.7
163.04027	71.5
164.04353	2.4
183.01213	37.1
184.02010	12.0
196.04958	1.0
197.02899	1.5
216.01021	2.5
250.46918	0.9
251.69691	1.0
252.47437	1.0
265.06693	1.2
269.00922	1.1
296.23099	1.0
297.15271	100.0
297.24368	11.5
298.15628	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	297.171
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
59.01376	4.0
69.66190	4.8
81.03493	1.6
83.05027	1.9
97.06589	3.1
106.16849	1.5
111.08142	1.4
120.83974	1.4
121.02966	3.1
122.03735	7.5
123.04527	2.2
123.34237	1.3
136.05302	3.1
139.11293	8.7
161.56598	1.3
179.14462	3.7
203.14442	4.2
221.15486	70.5
222.15840	4.6
247.13391	15.5
253.18115	8.8
255.03056	3.7
265.14474	95.1
266.14856	4.8
279.16144	3.3
297.04199	1.3
297.17117	100.0
298.04718	2.5
298.17371	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01390	0.5
61.98842	0.6
69.05420	0.4
70.00069	1.6
73.62173	0.4
79.95741	0.6
86.65427	0.4
161.74193	0.4
175.91988	0.4
183.01221	13.2
184.01981	3.4
197.02840	0.8
201.60667	0.4
216.01080	0.6
251.23882	1.5
264.23306	0.5
279.18753	0.9
279.23395	1.1
281.16296	0.4
295.22733	1.0
297.15326	26.6
297.24368	100.0
298.15582	1.5
298.24673	7.0
314.67447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81100	0.8
59.01172	0.7
59.01389	7.5
59.32292	0.9
66.29737	0.8
69.53645	1.7
69.54021	1.9
71.01396	1.8
82.34118	0.9
88.04047	1.2
89.02448	3.4
100.19502	0.9
101.02467	1.4
113.02464	0.9
119.03522	0.9
119.05054	1.5
120.01263	100.0
123.00889	1.0
133.01434	1.2
133.06610	62.2
134.06905	2.0
136.03987	1.4
137.02429	1.7
154.81018	0.9
171.15047	5.4
177.05591	62.5
178.05957	2.2
197.04610	1.2
197.13005	0.8
198.13353	1.2
215.13977	1.0
216.14398	2.6
217.00307	1.3
226.95760	0.9
239.05551	1.9
239.99095	0.9
284.03357	2.3
298.07465	3.8
299.07690	3.6
299.11179	1.3
315.17419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Diosmetin
Peak:m/z	Relative Intensity
57.38699	0.4
59.01383	5.3
63.02367	1.3
65.00308	1.4
82.14801	0.4
83.01386	0.7
101.95916	0.3
105.41373	0.4
107.01360	1.8
110.00062	0.6
132.02179	0.4
133.02959	5.6
134.03693	1.2
143.05104	0.4
148.01625	1.2
149.99634	0.4
151.00371	2.8
153.95709	0.4
165.01869	0.6
165.99037	0.5
174.99210	1.5
183.04495	0.8
187.04059	0.7
199.03951	0.5
200.04797	1.2
211.04042	2.2
212.04808	0.8
217.00325	6.1
227.03522	2.6
228.04340	0.4
239.03560	1.0
255.02899	1.4
256.03809	4.6
267.02960	0.5
283.02487	1.3
284.03278	94.1
285.03558	4.5
299.05621	100.0
300.05923	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01380	2.1
65.00330	12.3
68.71478	0.2
98.21799	0.3
104.05782	0.2
108.02168	0.8
108.99288	1.0
110.00108	0.8
117.03416	1.3
119.01340	0.5
119.04965	0.3
122.00112	0.4
130.04240	0.4
132.05772	0.3
136.01672	0.3
136.98822	16.9
139.00415	0.4
149.99620	1.2
151.00424	0.2
155.04979	0.4
156.05788	0.8
158.03714	1.0
159.04517	0.5
163.00357	0.6
164.01181	2.2
164.98312	0.4
165.99097	1.2
166.99858	0.5
167.05025	0.2
171.04572	0.3
172.05264	0.2
174.99217	0.6
177.99121	0.2
183.04550	1.8
184.05319	1.5
185.02477	1.2
186.03214	2.8
187.03941	0.7
188.04791	0.3
190.99831	0.6
199.03972	0.8
200.04832	2.7
211.04018	2.3
212.04782	4.4
213.01967	0.2
214.02704	1.0
217.00357	1.8
227.03514	4.1
228.04309	2.7
239.03522	0.6
240.04279	0.4
255.02979	1.4
256.03772	1.2
267.03235	0.2
283.02481	3.7
284.03284	100.0
285.03619	6.7
299.05630	35.6
299.12668	0.5
300.05966	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	299.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01065	0.5
59.01379	1.2
69.69805	2.2
71.01371	0.7
75.24191	0.5
82.03004	1.4
87.15494	0.6
89.96186	0.5
120.99670	100.0
133.06612	48.5
134.06903	1.4
136.98825	0.8
166.02751	1.0
177.05598	52.1
178.05998	1.1
183.10353	1.5
197.13043	1.8
215.14096	2.7
238.12343	0.6
255.02965	0.8
268.25797	0.6
284.03238	3.4
299.02875	0.7
299.05786	3.4
299.11438	1.0
299.15933	2.8
306.62753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01885	1.3
58.00602	1.3
59.01383	95.9
60.01696	1.3
69.32413	4.5
70.33878	1.1
71.01387	37.4
73.02882	1.6
83.01375	2.0
85.02969	8.8
88.04016	1.5
89.02451	38.5
92.02670	3.7
92.60265	1.2
93.03462	29.6
95.01378	3.4
98.22636	2.1
99.00842	0.9
101.02454	19.4
107.04991	1.1
113.02467	16.9
119.03509	12.7
121.02979	2.9
131.03522	1.8
135.04541	2.7
136.01645	6.6
137.02458	100.0
138.02756	3.2
143.03534	1.5
149.02408	1.2
151.04002	9.6
179.03513	47.1
180.03905	2.9
205.02293	1.1
209.04573	5.4
217.00386	2.7
235.76509	1.0
239.05644	20.2
240.06055	1.4
264.38586	1.2
284.03464	2.4
299.07758	81.3
300.08020	4.5
319.53708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.6
69.83516	6.2
71.01369	10.6
85.02932	3.2
89.02454	8.2
93.03464	55.1
101.02447	6.4
106.67825	2.4
113.02430	4.1
114.61649	2.3
114.98866	4.7
119.03538	4.3
125.24197	2.1
137.02454	100.0
137.06097	2.4
146.55254	2.6
156.99902	7.1
167.10103	2.5
174.99237	3.6
179.03513	8.7
187.10889	2.4
201.02542	6.6
217.00351	13.0
234.59517	2.6
239.05614	4.5
244.35164	2.2
253.95995	2.3
284.03354	18.6
296.34897	2.7
299.05167	6.0
299.07776	15.7
324.76193	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	299.0928
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
50.40293	0.5
52.37463	0.5
59.01389	3.5
65.00340	1.6
69.03501	0.5
69.83624	0.4
79.95774	0.6
89.03996	0.6
91.05527	0.8
97.06617	1.0
106.04283	0.7
107.05019	3.1
110.00130	0.6
121.06616	0.7
133.02921	3.3
134.03757	9.3
135.04538	100.0
136.04898	2.0
136.98830	0.8
137.02399	0.8
143.05028	0.6
145.06570	0.6
153.69792	0.5
157.06554	2.5
158.07333	1.1
161.02458	4.3
161.09816	0.4
165.99124	1.3
171.04469	0.5
171.08208	1.6
172.08844	0.7
173.09703	1.6
174.99222	1.0
179.03511	69.0
180.03841	2.2
185.06036	0.6
186.06859	1.2
199.07617	1.0
200.08423	2.6
201.09206	8.0
213.09158	0.9
217.00314	3.9
226.09903	0.6
227.10829	1.1
239.10722	0.8
240.07912	7.8
240.11607	0.8
241.12308	1.5
243.13951	6.9
244.14175	0.5
249.09256	0.5
254.09506	0.9
255.10258	14.6
255.13951	2.2
256.03754	0.6
269.11798	6.9
269.14865	0.7
271.02368	0.8
271.16940	2.0
283.13263	0.7
284.03317	10.6
284.14200	24.8
285.03534	0.8
285.14615	1.4
299.01987	1.6
299.05646	8.5
299.09235	48.5
299.16495	44.9
300.09525	4.2
300.13153	0.9
300.16824	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	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.1
59.01374	3.6
65.00314	1.0
69.03464	12.3
71.01388	100.0
71.05013	2.3
72.01714	1.2
79.28127	0.9
85.06575	1.0
97.06519	1.1
104.36441	1.0
110.00146	1.2
111.08177	2.6
113.06084	2.1
114.75871	1.0
115.00388	29.6
120.99669	11.4
123.08214	1.2
133.06613	5.5
139.11305	14.1
175.11525	1.0
177.05615	5.1
183.10281	97.4
184.10617	3.7
209.41862	1.0
211.13416	1.1
215.72839	0.9
217.00311	1.7
284.03271	12.6
299.05740	6.7
299.11432	3.7
299.15192	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	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69790	0.5
59.01361	0.5
71.01386	50.0
71.40855	0.7
72.01712	0.7
73.02952	0.6
98.03746	0.7
98.45477	0.5
102.73117	0.4
108.75488	0.5
114.60798	0.5
115.00390	14.5
120.99683	0.7
121.10201	0.6
137.06154	0.5
153.09187	2.0
154.00955	1.7
165.09219	3.5
166.09586	0.5
169.03293	1.2
183.10272	100.0
184.10643	3.1
192.11774	0.5
197.69362	0.6
211.04131	0.9
211.13463	0.9
230.52490	0.6
256.70383	0.5
276.89789	0.4
284.03207	2.9
299.05704	1.9
299.11420	2.2
299.15121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01901	1.0
57.03460	1.0
58.00605	1.3
58.16246	0.6
59.01382	100.0
60.01722	1.3
60.02085	0.6
62.04956	0.7
69.57485	2.4
71.01385	44.7
72.99324	1.1
73.02953	1.6
83.01406	1.9
85.02957	7.8
87.00889	2.2
89.02449	55.6
93.03479	2.5
95.01421	3.0
98.21854	0.7
101.02451	23.9
108.02230	1.2
113.02458	18.9
119.03532	22.8
119.05029	29.9
120.05330	1.5
128.94643	0.7
131.03532	2.2
137.02431	3.5
137.06122	2.5
138.05611	0.9
143.03412	1.3
149.04601	1.6
152.01163	0.7
161.04625	0.9
174.53613	0.6
179.05687	2.4
187.35304	0.7
284.03357	0.9
299.08133	0.7
299.11462	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	299.114
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01883	1.2
57.03456	1.3
58.00597	1.3
59.01384	100.0
59.47346	0.3
59.77919	0.3
60.01726	1.1
61.19296	0.3
65.00331	0.6
65.48091	0.3
69.26862	0.8
69.27274	1.1
69.56685	0.3
71.01387	49.1
71.05026	0.4
72.99314	2.1
73.02956	1.9
78.64059	0.4
79.95768	0.6
83.01400	2.4
85.02956	9.9
87.00881	2.6
89.02453	55.0
90.02793	1.1
91.01872	0.5
95.01400	3.3
97.02991	0.4
99.00860	0.6
101.02451	27.6
108.26016	0.3
110.00072	0.4
113.02459	18.9
114.02811	0.4
115.00338	0.4
119.03538	24.1
119.05027	33.9
120.05345	0.8
123.03313	0.4
123.04539	0.8
123.08125	0.4
131.03532	2.1
137.02451	0.7
137.06085	3.7
138.05609	3.9
143.03525	2.1
149.04530	1.3
159.14157	0.4
161.04533	1.4
163.00385	0.5
167.01817	0.5
167.03470	2.1
168.63391	0.4
174.99297	0.6
179.05650	2.5
181.01427	0.8
184.09813	0.4
193.12283	0.7
211.04210	0.8
217.00310	1.9
227.03447	1.1
237.11420	0.4
255.02977	0.8
255.12375	0.6
284.03329	2.6
299.01932	1.3
299.05637	1.6
299.11621	4.6
299.15118	0.8
300.10855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	51.1
65.00317	7.8
71.01386	20.9
71.38390	2.8
85.02953	25.6
97.02956	8.7
113.02472	45.5
119.05017	8.0
125.02436	6.7
136.98828	9.4
143.03564	4.8
147.86494	2.7
155.10797	100.0
156.11159	4.2
165.30225	2.9
169.12401	7.7
174.99313	4.0
178.70760	2.6
197.11813	9.2
209.11748	3.6
211.07495	3.5
217.00319	15.0
228.06569	3.0
284.03278	52.1
299.05573	30.0
299.08817	4.5
299.12827	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01366	1.2
65.00332	1.1
65.19546	0.5
69.16262	2.2
88.33208	0.4
108.35812	0.4
121.93024	0.5
141.12872	1.9
200.72719	0.4
211.29152	0.5
217.00354	0.8
219.97652	0.5
251.01968	0.5
253.25356	1.5
281.24896	2.1
284.03305	4.5
285.03412	0.6
297.24323	1.3
299.05582	1.7
299.20731	13.7
299.25925	100.0
300.20737	1.0
300.26288	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.4
59.01389	3.0
60.20464	0.4
67.65085	0.4
68.01422	3.1
69.12479	2.9
70.81186	0.4
71.01386	1.5
73.02949	0.5
101.02457	0.5
110.02561	0.6
111.44543	0.4
114.58244	0.4
119.04945	0.5
122.02496	1.2
123.03277	5.9
124.07673	0.6
125.06150	0.4
130.08746	3.9
137.04790	1.0
138.05624	100.0
139.05984	2.8
143.11871	0.7
152.07191	1.3
156.77776	0.4
165.99063	0.5
166.08902	0.5
167.05853	2.4
168.06622	0.5
180.06706	5.7
184.09860	0.5
188.26987	0.4
214.15627	0.6
256.20462	0.6
285.03677	0.5
286.04599	0.7
300.10941	14.3
300.15985	0.8
300.19202	3.5
301.07150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00344	0.4
52.35283	0.2
59.01384	3.1
65.68017	0.2
66.13448	0.2
68.01414	2.7
69.81518	0.6
71.01376	0.8
85.02956	0.2
87.05675	0.3
89.02476	0.4
94.06602	0.4
95.05032	0.4
96.04535	0.5
98.21951	0.4
101.02441	0.3
110.02477	0.3
110.06174	0.4
115.08706	0.3
116.07196	0.5
122.02483	0.8
122.06191	0.3
123.03277	6.0
124.07687	0.9
130.08736	3.3
136.07715	0.5
137.04869	1.0
138.05621	100.0
138.85493	0.2
139.05971	2.6
141.05595	0.2
152.03520	0.3
152.07187	1.5
154.02707	0.3
157.13484	0.3
162.12317	0.2
166.08725	0.6
167.05887	1.8
168.06693	0.6
169.09811	0.3
180.06664	5.3
185.16585	0.4
210.07840	0.5
210.11629	0.2
256.20398	0.6
300.10910	13.5
300.19199	3.5
301.11270	0.8
306.35419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1374
Annotation	Isofebrifugine
Peak:m/z	Relative Intensity
51.05228	0.2
55.51977	0.2
59.01392	0.4
62.82180	0.2
64.17994	0.2
67.43594	0.2
69.44918	0.9
83.05040	0.2
97.06602	0.7
103.10636	0.2
106.04258	0.8
107.05064	0.3
108.02176	0.5
109.02955	0.8
121.02962	0.2
121.06561	0.2
122.03753	0.8
134.03760	4.6
135.04480	0.2
138.66380	0.2
158.03798	0.2
159.04573	0.5
161.06062	0.2
162.03252	0.2
165.98975	0.2
171.04449	0.4
172.05331	0.3
173.06094	1.5
175.07620	0.3
185.06056	0.5
187.04097	0.3
187.07640	0.8
188.04796	0.7
189.05569	3.4
190.05930	0.4
201.05588	2.8
201.09123	0.3
202.06361	1.2
203.07124	0.9
203.10611	0.2
204.07922	8.3
205.08208	0.5
213.09154	0.2
214.06412	0.8
215.07147	5.6
216.07487	0.4
218.00670	0.3
219.10034	0.2
228.07843	0.2
239.10924	0.3
241.08627	0.2
241.12450	0.2
252.07834	0.5
254.09804	0.2
256.10995	0.2
257.11826	0.7
267.10205	0.9
269.08072	0.3
270.08990	0.3
270.12506	0.3
271.09421	0.2
271.13376	1.3
272.13892	0.3
284.10184	0.7
285.03561	0.7
285.11353	4.8
286.11847	0.3
299.12866	4.5
300.13666	100.0
301.14050	8.6
301.17978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	92.1
60.01718	0.7
61.98849	0.4
68.35603	0.2
69.62559	0.7
73.01453	0.2
74.99392	0.5
98.22569	0.5
110.00072	0.3
114.25385	0.2
114.92052	0.2
114.98899	0.5
115.02523	12.0
116.02650	0.5
116.98675	0.5
117.00453	9.4
117.95565	0.3
118.00520	0.4
119.05073	0.3
137.99631	0.3
141.00465	0.5
156.93102	0.7
156.99959	0.6
157.03587	2.3
157.90869	0.3
158.92863	0.5
159.01509	100.0
159.96564	1.9
160.01643	5.6
161.01976	0.2
165.99095	0.5
167.17825	0.3
183.01607	0.4
201.02567	23.3
202.02673	1.3
217.00491	1.0
241.00575	0.5
257.03693	0.3
259.01584	3.3
260.01746	0.6
283.01843	0.6
286.04825	0.6
301.02670	39.1
302.02817	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	3,5,7,2',5'-Pentahydroxyflavone
Peak:m/z	Relative Intensity
59.01387	1.7
59.06588	0.6
62.26654	0.7
63.02402	9.5
65.00330	18.4
69.14361	3.8
69.14783	1.1
71.01383	5.5
79.77634	0.7
83.01390	9.5
93.03463	6.0
105.94127	0.7
107.01397	27.7
109.02962	2.6
110.00112	1.8
111.63783	0.7
115.00386	1.2
119.05032	1.1
121.02966	22.8
124.01625	0.9
125.02437	0.8
135.00998	0.9
135.04562	1.0
139.03992	3.0
148.01709	0.9
149.02467	4.7
151.00385	79.8
152.00769	2.6
161.02483	2.2
161.06055	1.0
163.00392	1.9
163.04150	1.2
164.01178	1.6
165.99083	1.8
169.01498	3.6
175.03976	1.1
178.99886	28.5
183.13905	2.3
185.11862	7.6
188.99269	0.7
193.01411	1.5
201.05595	1.4
202.09871	0.7
211.13376	1.5
212.08243	0.8
215.07172	3.8
227.03598	1.2
227.12889	1.3
229.05070	3.2
229.08682	0.9
230.09482	6.2
231.10156	0.9
245.04637	2.9
245.11835	28.5
255.03113	1.1
257.04456	1.2
257.12878	2.2
258.09070	1.0
259.13443	3.2
268.14767	1.0
271.10648	0.8
271.13470	3.2
272.03101	0.7
273.04111	4.0
274.15607	1.0
286.04813	2.1
286.12241	1.5
286.15564	0.9
287.12943	2.6
299.01974	1.0
300.16934	1.2
301.03568	100.0
301.17880	3.4
302.03876	5.7
302.15259	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	301.0567
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
52.91427	0.5
69.03455	2.6
71.01389	0.8
79.01893	0.6
81.03465	1.1
81.17616	0.5
83.01377	1.3
97.02952	3.0
101.63290	0.5
107.01379	1.6
123.00898	5.0
124.01678	19.8
125.02461	59.4
126.02782	1.3
149.99605	32.8
151.00412	3.3
168.00661	76.4
169.01422	7.4
210.55293	0.7
283.04572	8.3
283.07297	0.9
291.52307	0.6
301.05670	100.0
302.05951	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	301.0721
Annotation	Drimiopsin F
Peak:m/z	Relative Intensity
51.42151	0.8
58.33644	0.8
65.00336	7.9
68.99829	1.3
69.09403	2.1
69.09827	3.6
82.00610	8.0
85.72991	0.8
93.03456	5.8
95.01381	3.7
96.99289	0.9
102.60072	0.8
102.75665	0.8
110.00108	68.9
111.00949	1.7
119.05037	27.0
122.00087	1.1
123.00868	4.3
124.01683	8.5
124.98826	1.4
136.98772	4.4
137.02502	1.1
137.34357	0.9
137.99615	16.8
139.00397	15.7
141.99100	1.0
145.02971	1.2
147.04538	0.9
152.01158	7.0
157.06580	1.0
165.99091	62.6
166.99872	23.5
175.13431	0.8
178.99913	1.5
180.00664	14.8
181.01448	11.8
183.13882	1.7
185.06038	1.6
188.07204	2.2
192.00674	2.5
193.01436	1.6
207.02991	2.5
216.06711	1.0
229.05072	3.6
230.05797	2.5
247.08606	0.9
268.03860	1.1
286.04861	100.0
287.05228	5.4
301.07187	77.0
302.07413	4.8
302.10544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	Folerogenin
Peak:m/z	Relative Intensity
54.21069	0.2
65.00329	6.5
65.99467	0.2
69.14635	1.3
71.52740	0.3
75.65548	0.2
80.77010	0.2
83.98678	0.2
88.99963	0.2
89.00350	1.8
90.91367	0.2
91.01900	0.9
97.02951	4.2
102.02940	0.2
104.07491	0.2
107.05061	0.8
108.02209	0.3
109.02970	3.2
110.00110	0.6
119.04991	0.2
121.02967	1.9
134.03748	1.8
134.06137	0.4
135.04536	100.0
136.04854	3.6
137.02469	0.3
139.00391	0.5
149.99600	1.8
150.89420	0.2
161.02454	1.1
164.01193	0.3
165.01942	36.2
165.99060	0.6
166.02264	1.2
167.21638	0.2
180.00670	0.3
183.02992	0.8
185.11992	0.2
200.04807	0.7
202.58284	0.2
229.08710	1.0
253.12276	0.5
257.15533	0.6
258.11426	0.3
268.14676	1.1
271.13422	4.2
283.06232	0.5
283.10944	0.5
283.13943	0.2
283.16876	0.4
286.04916	1.2
286.15808	0.4
301.07172	18.6
301.14301	2.1
301.18094	3.9
302.07492	1.1
302.18396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45935	0.4
59.01367	0.6
59.78916	0.5
62.37988	0.5
69.03457	0.6
69.67416	0.9
69.67802	0.9
71.01389	8.9
83.04994	0.7
95.05000	0.7
105.07124	0.6
115.00384	7.4
121.06609	1.0
123.07281	0.8
123.08176	16.7
128.03575	0.6
133.01407	0.8
141.09232	15.9
167.07155	4.6
185.08205	100.0
186.08575	3.8
249.09262	0.6
267.10275	0.9
269.77530	0.6
300.99899	1.0
301.09296	2.5
301.17526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0934
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.01863	0.7
59.01385	11.9
65.00328	0.9
69.19267	2.9
69.97084	0.6
71.01402	5.5
71.79454	0.6
73.02958	1.3
74.02475	4.6
83.01395	1.7
85.02950	2.0
89.02452	0.9
92.44173	0.6
93.03469	2.6
94.03838	0.6
95.01392	6.1
95.05039	0.8
97.02960	1.0
98.02518	0.7
99.00904	0.9
101.02470	1.9
101.49628	0.6
109.03001	0.9
110.00121	2.1
111.00938	0.7
113.02436	2.0
113.03587	0.8
115.00340	1.0
116.77834	0.7
117.00482	0.8
119.05061	1.1
121.02960	3.4
122.03762	0.8
122.71796	0.6
123.00901	100.0
123.04554	1.8
124.01724	6.4
125.02469	6.3
126.90540	3.2
127.81837	0.7
132.98228	0.7
137.02464	3.0
138.03246	56.7
139.00356	1.9
139.04051	18.4
143.00195	1.0
143.11940	1.2
149.02438	2.5
150.03246	1.0
151.00414	3.7
151.04027	3.3
158.99808	1.3
159.01517	8.2
159.02788	1.2
160.01768	0.8
161.04582	2.2
163.04047	1.2
163.42586	0.7
164.07137	0.7
165.99115	1.5
166.02727	1.8
167.50043	0.8
168.00674	2.1
168.15262	0.7
169.01425	1.5
170.05736	1.0
170.96196	1.3
178.02802	1.0
181.05096	6.7
186.12589	0.8
187.10994	0.9
193.05077	2.0
195.03046	0.8
196.97749	2.5
201.02553	1.3
210.99095	0.7
212.97267	1.1
226.12068	0.9
233.06366	0.7
236.06801	0.7
258.14499	1.0
258.97717	0.8
267.09851	1.2
284.12662	1.5
286.04929	4.2
299.89194	0.7
300.99225	1.1
301.02686	4.5
301.05893	5.7
301.09363	1.5
301.15234	3.3
302.13516	0.8
320.16669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98486	0.9
69.03463	1.8
69.15117	5.5
69.78143	0.8
71.01388	70.3
80.93108	0.8
110.13696	1.0
115.00384	14.9
135.92014	0.9
137.73070	0.9
139.11279	2.8
185.11842	100.0
186.12242	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.145
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61695	0.6
66.92958	0.8
67.01874	2.1
69.32588	3.6
71.00099	0.7
72.31592	0.6
75.74564	0.6
85.02947	5.5
87.04486	0.8
90.49817	0.6
95.05014	2.0
110.00095	1.1
125.38274	0.6
129.05957	0.7
134.07339	1.1
137.09657	0.9
151.07637	1.5
155.90315	0.7
161.09700	1.2
162.10529	0.6
163.11264	1.2
175.11273	2.1
176.12117	0.7
177.12860	4.3
193.08691	3.7
205.08257	1.2
215.10774	12.4
216.07738	0.9
241.12376	9.5
242.12994	2.1
247.53738	0.7
256.11209	1.1
257.15488	100.0
258.15836	6.7
259.09802	3.9
274.09351	0.9
274.12155	13.2
286.04727	1.3
286.11746	1.5
287.09451	1.4
301.06845	1.1
301.14081	24.2
301.17639	1.8
302.14636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
65.00330	0.7
69.67376	1.2
71.01382	1.2
89.02466	0.4
91.04022	0.8
95.01339	0.3
107.01413	0.4
110.00102	1.4
111.00921	0.5
114.52110	0.3
119.05035	0.7
137.99579	0.3
139.00398	0.5
165.12852	4.1
165.99045	1.6
166.99820	0.6
167.81778	0.3
181.01381	0.4
183.13910	100.0
184.14238	4.4
185.11841	2.1
209.11813	1.8
223.12079	0.3
227.12909	5.1
238.09616	0.3
268.14700	0.8
271.13412	2.9
272.10568	0.4
272.13809	0.4
286.04865	2.9
286.15945	0.4
301.00137	0.5
301.03430	1.5
301.07147	1.8
301.16498	8.1
302.17279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
66.58868	0.4
71.01866	0.6
74.99082	0.7
79.26090	0.5
85.31672	0.4
97.92365	0.4
118.96325	0.6
134.99411	6.7
136.97318	1.6
143.05330	1.6
159.08516	0.9
161.06396	5.5
183.19588	0.4
201.04218	0.5
203.05667	3.0
205.03580	0.6
215.05670	1.0
217.07217	80.3
218.07312	5.7
283.11880	0.7
285.13495	34.3
286.13672	3.1
301.16611	100.0
302.16806	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	301.1812
Annotation	formestane
Peak:m/z	Relative Intensity
51.20292	0.7
59.01423	1.3
61.98879	0.6
63.97928	0.8
65.00352	1.7
69.33144	3.6
70.52077	0.6
71.01404	0.9
75.67094	0.6
110.00130	2.6
119.05100	0.9
127.15337	0.6
139.00383	0.9
149.06133	0.8
165.99091	2.0
166.99971	1.0
172.41461	0.6
173.06097	0.8
174.07074	0.6
185.06071	0.8
185.11906	2.3
188.08453	0.8
204.11789	0.8
216.07970	0.9
228.11566	1.6
231.10266	2.8
238.10074	1.8
241.08707	0.9
241.12332	0.8
242.13115	1.3
243.14003	1.7
245.15521	0.7
246.12425	0.9
253.12360	9.7
255.10292	1.1
256.11035	1.2
257.11884	2.6
257.15543	3.0
268.14691	25.0
269.15045	1.9
271.13406	100.0
272.13760	6.4
273.18576	4.8
283.17099	4.6
284.14224	1.4
285.14954	2.3
286.04776	3.0
286.15747	8.0
301.00095	1.1
301.03519	2.5
301.07199	3.1
301.18069	83.3
302.15131	1.0
302.18353	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	301.1812
Annotation	formestane
Peak:m/z	Relative Intensity
50.74987	0.2
57.03434	0.3
59.01364	0.5
66.72263	0.2
69.69733	0.7
70.17570	0.3
70.60895	0.2
71.01382	1.8
73.36469	0.2
83.05034	0.3
85.06593	0.4
94.26596	0.2
97.06601	1.7
113.06736	0.2
114.03288	0.2
115.00352	0.4
116.94635	0.3
123.00872	0.2
135.08159	0.4
137.09712	0.5
147.08121	0.3
149.06030	0.5
161.06070	0.3
173.06056	0.7
175.07744	0.3
176.02318	0.2
177.05626	0.4
185.06161	0.4
185.10080	0.4
185.11838	3.9
187.07637	0.4
187.11215	0.3
188.08476	0.5
189.09088	0.2
201.05554	0.4
201.09265	0.3
203.10838	1.1
204.11426	0.3
207.13936	0.4
213.09222	0.5
215.10704	0.6
216.07947	2.1
217.08598	0.4
225.09291	0.4
227.10840	0.6
228.11539	1.3
231.10268	2.8
238.10023	2.5
239.14354	0.3
241.08693	1.1
241.12376	0.8
242.09508	0.5
242.13135	2.0
243.13916	2.6
246.12587	1.2
253.12354	10.6
254.12581	0.6
255.10286	0.7
256.10980	1.5
257.11804	2.9
257.15482	1.4
257.19058	0.4
258.12460	0.4
258.16086	0.3
267.13910	0.4
268.14703	24.9
269.12051	0.4
269.14880	1.6
271.13412	100.0
272.10791	0.5
272.13824	8.1
273.18558	4.6
274.18945	0.4
283.17068	5.4
284.14124	1.0
284.17111	0.4
285.14993	3.0
286.12396	0.3
286.15756	8.3
287.16095	0.5
300.13608	0.7
301.18103	64.2
302.15198	0.4
302.18472	5.0
303.12573	0.3
303.76086	0.3
318.14676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Koninginin G
Peak:m/z	Relative Intensity
51.07196	0.4
51.82151	0.4
55.67185	0.4
57.03450	2.3
65.00336	0.5
69.13759	1.4
69.14167	1.5
69.30283	0.5
71.01402	0.4
71.04996	0.6
87.17889	0.4
97.06593	0.9
99.08165	0.8
110.00111	1.3
113.09759	1.4
116.20820	0.4
127.11306	0.5
129.03212	0.5
139.11331	1.1
148.80699	0.4
165.99100	0.9
185.11844	0.5
187.09706	0.6
196.23346	0.5
209.35934	0.5
217.98096	0.4
221.19122	33.1
222.19464	2.3
237.18732	0.6
239.20178	2.9
257.21259	1.3
265.18103	21.1
266.18430	1.0
268.14584	0.7
271.13403	4.4
283.19183	18.7
284.19498	1.4
286.04883	1.7
301.03296	0.9
301.07190	1.3
301.20267	100.0
302.20587	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	301.2174
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
53.09245	2.7
55.60695	2.9
57.10708	3.3
59.01376	12.5
61.99788	3.1
64.97745	3.3
65.00344	5.0
65.45517	3.0
67.29382	3.1
69.65721	3.0
70.93887	4.5
80.86634	2.6
85.21761	2.6
104.56596	3.0
110.00148	4.5
121.59067	3.6
157.68761	3.3
165.99091	3.2
166.99998	3.0
193.77155	3.1
203.18073	9.3
257.22751	32.1
286.04852	6.4
300.99933	9.3
301.03464	5.6
301.06979	4.8
301.21762	100.0
302.22015	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	302.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.47285	0.1
59.01358	0.3
59.48092	0.1
61.49826	0.1
61.68450	0.1
63.02394	0.2
65.00309	0.5
66.03463	0.2
71.01369	0.4
71.05010	0.4
71.40608	0.2
72.54450	0.1
77.17461	0.1
83.01384	0.3
91.81002	0.2
107.01429	0.4
107.57120	0.1
108.01745	0.5
121.02944	0.3
122.03334	0.3
133.06657	0.2
136.05342	0.1
137.06070	0.2
149.06129	0.2
151.00366	1.2
152.00717	1.2
161.06070	0.4
163.07629	0.3
173.06090	0.2
174.06851	0.6
175.07721	0.9
175.11346	0.2
178.99800	0.4
180.00148	0.5
184.14227	0.6
185.09686	0.3
187.03961	0.3
187.07639	0.7
187.13412	0.4
188.04819	0.3
188.08437	0.3
189.05576	0.2
189.09241	0.5
197.35533	0.2
199.11235	0.2
200.04680	0.4
201.03920	0.2
201.05579	1.4
201.09229	0.2
202.06345	0.6
202.10062	0.9
203.10692	0.8
204.07863	0.5
212.08360	0.3
212.13731	0.2
214.06288	0.4
215.07140	14.5
216.07835	1.9
216.37849	0.1
217.08676	0.9
217.12328	0.7
227.10771	1.7
228.07545	0.2
229.08717	4.5
230.09480	25.9
231.10078	2.3
231.13864	0.3
233.11752	0.4
243.06627	0.3
243.10229	0.7
244.11087	1.7
245.11833	100.0
246.12184	6.2
254.09392	0.2
258.08987	1.7
259.13394	9.7
260.13766	0.6
269.11691	0.3
271.09641	0.2
272.10580	0.2
274.15747	5.9
275.16046	0.5
285.14908	0.3
287.12906	9.6
288.13287	0.8
302.03995	3.3
302.15244	76.6
303.04279	0.2
303.12140	0.3
303.15604	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85413	0.7
57.03446	2.2
67.84272	0.5
69.10280	2.3
69.10697	2.6
71.01395	11.0
72.82352	0.6
79.49379	0.6
97.06594	7.3
115.00388	7.8
123.08192	2.4
125.09739	54.0
126.10059	2.7
133.01469	0.9
143.10794	1.1
169.08734	1.2
179.33133	0.7
187.09773	100.0
188.10144	3.7
226.05171	0.7
237.06065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1239
Annotation	3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl
Peak:m/z	Relative Intensity
56.80004	0.6
59.01365	1.0
66.94863	0.9
71.01402	0.8
71.39367	0.7
85.65163	0.7
86.65348	0.7
95.56638	0.6
97.06618	1.3
106.04249	2.0
109.02936	1.0
111.00880	1.2
117.42819	0.7
117.76540	0.9
121.02977	4.4
125.06087	5.2
132.02179	1.3
133.02968	47.3
134.03757	50.8
135.04546	28.4
137.02455	23.8
139.04025	7.6
150.03226	2.2
161.02455	92.1
162.02902	3.2
163.07681	1.7
178.02727	19.0
179.03500	17.9
185.99393	0.8
189.05627	1.5
190.06354	15.9
191.06743	0.9
194.02370	0.8
231.13940	1.8
233.15486	1.7
245.15514	0.9
259.13394	3.0
270.12997	0.8
285.15131	1.2
288.17160	0.7
303.12405	100.0
303.15817	5.7
303.19736	3.1
304.12790	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	303.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83886	0.1
55.77871	0.1
58.02980	38.6
59.01402	0.2
70.03003	0.2
71.41226	0.2
87.02697	0.1
93.03479	0.4
95.63293	0.1
117.03495	0.4
119.05038	56.6
120.05365	1.9
134.02496	0.3
135.02863	0.2
145.02982	0.5
151.11342	0.2
152.03542	0.2
154.06340	0.2
163.04022	34.5
164.04373	1.4
168.13948	100.0
178.01530	0.2
195.13931	0.4
212.12936	2.6
288.15585	1.0
303.12421	2.7
303.17923	0.6
304.12354	0.2
304.15720	0.3
304.19138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24005	0.6
52.46017	0.5
56.81970	0.7
58.25168	0.6
69.18887	1.6
69.19298	2.3
70.62914	0.6
83.05029	1.1
92.35446	0.8
100.25720	0.7
117.03489	0.6
119.05038	100.0
120.05375	3.6
135.02531	0.6
145.02959	1.0
163.04024	74.2
164.04341	2.5
168.13968	1.1
303.12387	6.1
303.15594	1.1
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
58.02090	0.9
71.01390	24.1
71.64147	0.8
77.79415	0.8
98.21912	3.1
115.00367	12.1
115.07652	0.9
117.38023	0.9
133.03059	0.8
141.16707	1.0
147.04495	1.2
151.04037	0.8
178.82695	0.9
185.11932	1.4
187.13411	100.0
188.13750	5.4
236.53601	0.9
259.10306	1.4
303.09094	1.5
303.15744	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	303.1604
Annotation	Hydroxypiloselloidone
Peak:m/z	Relative Intensity
56.20341	1.3
69.07264	2.6
69.07656	9.0
73.70730	1.2
75.32022	1.3
95.01385	1.7
95.05030	3.6
105.03482	12.8
119.05034	12.0
120.05391	1.2
121.02966	2.2
123.04510	1.6
132.02217	3.5
133.02971	100.0
134.03230	2.5
136.01675	9.2
137.02443	4.7
147.04517	15.3
148.05357	6.9
151.04034	1.5
153.05592	6.0
160.01698	2.2
163.04039	2.3
177.01942	26.3
192.04308	19.9
219.07068	2.1
243.52338	1.5
287.13376	2.2
288.13690	23.3
289.14111	2.1
303.16049	90.5
304.16406	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.2
60.01715	2.9
61.01812	0.9
61.98836	100.0
71.36629	0.4
115.02547	0.6
116.02626	1.1
117.00507	0.4
117.02318	1.5
117.95580	0.6
117.97366	0.4
118.00582	0.8
119.00222	1.3
119.95272	1.3
134.97099	1.5
158.03766	0.3
159.01508	4.5
159.12218	0.3
159.96614	1.6
160.01637	11.4
161.01224	14.5
161.96310	4.3
161.98965	20.4
162.01558	3.3
162.96542	2.6
162.99101	0.7
176.98091	0.5
199.35394	0.3
202.02747	2.6
203.02258	2.8
204.00037	4.1
204.02759	0.9
225.24895	0.3
261.99075	0.6
262.01712	0.9
285.28436	0.3
304.00137	9.7
304.02863	11.6
304.99936	0.9
305.03168	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	304.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99231	22.2
61.76191	22.7
69.46668	100.0
71.01386	29.5
87.63268	22.2
89.69637	20.3
90.03461	21.0
291.55878	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38616	0.5
58.02980	44.1
59.92039	0.4
69.92136	1.5
97.65544	0.4
119.05003	1.8
120.05363	1.4
154.06367	0.4
163.04105	0.7
164.04382	1.6
168.13948	100.0
169.14294	4.8
195.13977	0.8
198.72888	0.4
200.84659	0.4
203.07484	0.4
212.12965	1.3
304.15710	0.4
304.19302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28587	0.4
59.01383	38.3
66.90474	0.4
69.44757	0.4
69.46953	1.6
77.11323	0.4
79.95745	2.0
96.96018	100.0
97.06581	0.9
111.77335	0.5
135.08208	0.8
147.08163	1.3
165.09218	0.8
181.12378	0.7
213.43414	0.4
225.11331	21.9
226.11636	0.9
305.07019	71.9
306.07364	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	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.8
59.97780	0.5
69.30586	2.5
70.05793	0.4
70.52111	0.5
71.01371	0.6
71.59007	0.4
79.95742	2.7
87.72956	0.4
96.96018	100.0
97.06593	1.2
133.02943	0.8
135.04529	0.5
135.08163	0.8
135.78186	0.4
146.59300	0.5
147.08182	1.6
165.09216	0.9
183.51189	0.5
225.11331	23.8
226.11603	0.7
305.07019	81.3
306.07376	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	305.1398
Annotation	Tenulin
Peak:m/z	Relative Intensity
57.03444	12.8
59.01370	5.1
60.80503	1.3
71.05035	1.7
75.42299	1.5
81.71363	1.4
83.05049	2.8
83.66069	1.3
85.02962	1.7
87.04517	2.2
91.05528	1.6
93.03413	2.2
97.06599	7.4
106.04236	3.3
107.05033	2.0
109.06589	4.3
111.00930	1.4
111.04521	2.1
117.81336	1.9
121.02956	6.1
125.06068	3.3
133.01277	1.7
133.02960	28.1
134.03751	71.2
135.04454	6.5
135.08096	3.5
137.02454	31.5
137.06090	4.4
139.04027	11.2
149.02397	2.2
149.06073	5.1
150.03203	5.5
160.90657	1.7
161.02428	9.7
165.09253	1.7
174.06880	2.2
177.09126	2.6
178.01202	1.7
178.02727	26.1
179.03409	4.7
179.10844	1.6
180.07912	5.4
187.07574	1.4
189.09193	5.7
194.09526	2.4
195.10326	9.5
207.10216	6.1
219.13855	10.9
223.13429	2.0
233.11855	1.8
235.13408	2.3
247.13359	5.5
261.14920	16.2
277.18176	3.4
287.16617	13.4
290.15097	2.9
305.13919	100.0
305.17566	49.8
306.14203	7.0
306.17664	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	305.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18738	0.3
53.99967	0.3
59.01392	0.4
64.81577	0.3
64.83337	0.3
69.49682	1.3
71.93441	0.3
88.96053	0.3
89.57114	0.3
93.03432	0.5
117.03468	0.8
119.05041	100.0
120.05364	3.9
138.22241	0.3
145.02968	0.5
163.04028	75.6
163.43636	0.4
164.04344	2.5
179.49762	0.3
185.11896	0.3
241.05765	0.4
287.16373	0.4
305.13992	6.9
305.17340	0.6
305.21011	0.6
306.14264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
67.41457	0.3
67.85063	0.2
70.31293	0.3
78.53150	0.2
89.02466	0.7
89.36830	0.2
93.03456	0.6
97.02951	0.3
117.03478	0.9
119.05035	100.0
120.05367	3.2
125.02461	0.4
145.02954	0.7
163.04021	69.2
164.04330	2.7
200.58910	0.2
202.02864	0.3
233.14035	0.3
283.21234	0.2
305.08673	0.8
305.13962	8.1
305.17371	0.5
305.21210	0.9
306.14322	0.5
323.50198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1399
Annotation	Crassinervic acid
Peak:m/z	Relative Intensity
51.57662	0.8
57.03458	1.0
59.01366	1.7
59.95100	0.8
69.03449	0.9
69.76733	1.2
69.77061	1.6
71.05010	0.9
74.89923	0.9
77.79019	0.8
83.01419	4.8
91.05534	0.9
93.03453	0.9
106.97581	0.7
107.05074	1.4
108.02158	1.0
109.02956	4.2
113.09750	1.5
115.05542	1.3
117.03486	0.7
119.05048	1.7
121.02968	10.2
122.03683	2.1
123.04497	1.1
125.09714	4.8
132.02193	1.8
133.01935	1.9
133.02963	44.5
134.03778	13.7
135.04538	46.9
136.04874	1.1
137.02454	19.0
137.09749	0.9
139.04002	1.7
139.11298	10.4
143.05040	1.3
146.03745	5.2
147.04567	3.8
149.02425	0.9
153.09239	5.7
159.04524	14.2
160.05336	3.5
161.02458	88.8
161.06088	38.4
162.02841	2.6
162.06473	1.7
163.04117	0.9
163.11322	1.7
165.12889	0.9
172.05296	3.6
173.05957	1.5
174.06894	11.9
175.04065	1.6
178.02719	2.5
179.03519	12.4
180.03772	0.9
183.10246	2.6
185.06197	1.5
186.06841	1.0
187.07564	1.5
189.05649	1.2
191.14467	0.8
199.07608	1.4
200.08481	0.9
205.05022	3.2
217.15990	1.2
231.11577	1.1
231.13913	22.0
232.14252	1.5
243.13885	7.0
261.14868	5.4
273.18631	2.4
275.12903	3.6
287.20197	2.3
305.13968	100.0
305.21185	45.5
306.14288	8.2
306.17578	1.3
306.21555	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70343	1.5
57.03177	2.6
57.03449	32.8
59.01369	6.2
64.08123	1.4
71.05034	1.7
78.61019	1.5
83.05034	6.5
85.02947	10.9
85.06599	6.3
87.04488	1.6
95.05033	9.6
97.06600	31.2
107.05040	8.0
109.06572	6.8
111.04520	4.5
111.08172	1.9
121.06589	3.3
123.08154	4.3
125.06075	6.7
133.06696	1.5
135.08134	6.2
136.05284	1.9
136.44531	1.5
137.06096	8.1
137.09706	5.5
149.06068	10.6
149.09685	1.5
150.06830	1.8
151.07692	1.9
162.06866	3.1
165.09224	4.0
167.07147	1.7
167.10782	2.5
171.08107	3.7
177.09193	6.5
179.10789	4.6
180.07909	11.5
189.09206	13.7
189.12784	2.2
194.09538	4.4
195.10275	27.2
201.09290	2.0
203.10818	4.4
207.10304	19.0
214.10062	1.6
217.12341	2.7
219.13907	24.9
220.11005	4.1
221.11739	2.9
229.12277	4.2
231.10236	2.6
232.10913	2.8
235.13376	7.2
245.15327	2.4
247.13403	16.2
257.11703	1.9
259.17023	1.8
261.15009	7.2
261.17639	1.4
269.15433	5.0
272.14331	1.9
275.12991	2.4
275.16455	3.0
287.16641	23.8
289.14322	2.2
290.15225	10.7
305.13940	9.1
305.17551	100.0
306.14706	1.8
306.17871	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	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.1
59.01380	8.3
66.30856	1.6
71.05025	9.2
71.42036	1.7
73.02932	1.6
83.05029	6.4
85.02962	5.1
85.06622	1.7
87.04497	1.9
95.05044	4.9
97.06604	15.9
100.10179	1.4
106.02313	1.4
107.05035	5.2
109.06615	11.4
109.07230	2.6
111.04500	4.2
113.68636	1.5
121.06577	5.6
123.08165	4.3
125.06071	5.0
125.09717	4.4
133.02953	4.8
133.06581	3.8
134.03709	5.1
135.04526	6.5
135.08170	27.0
137.02414	2.2
137.06093	6.5
137.09726	3.4
147.04625	1.7
149.06096	5.6
151.11287	3.0
156.58961	1.7
161.02434	5.3
161.06068	1.7
165.09160	2.3
167.10759	3.4
171.08067	1.7
177.09103	3.8
177.12907	2.3
178.02666	2.5
179.03502	2.8
179.10799	3.5
180.07901	8.2
185.11879	3.6
189.09258	8.0
189.12863	5.9
194.09448	3.8
195.10286	14.5
201.12785	1.8
203.10712	3.3
205.15678	1.6
206.09406	1.6
207.10254	8.9
209.11835	8.0
217.08623	1.7
219.13931	12.3
220.10913	3.3
221.11714	2.6
223.13385	2.9
229.12347	3.3
233.11856	8.7
235.13332	4.6
243.17566	3.8
247.13286	5.8
249.12585	2.7
249.14977	26.3
263.16565	3.6
269.15353	2.8
271.13297	2.4
277.18103	4.6
287.16568	21.7
288.16702	2.5
289.90384	1.7
290.15161	5.6
305.14017	9.9
305.17560	100.0
306.17874	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03448	7.1
59.01372	4.5
65.03969	2.2
67.05527	0.9
69.03479	1.5
71.05009	3.1
77.23714	0.9
79.05536	2.8
79.54747	1.4
80.49054	0.9
83.05024	3.8
93.03461	2.4
93.07103	4.8
95.05022	3.5
97.06599	7.3
99.04525	2.7
106.04237	2.5
107.05055	2.6
107.08678	1.6
108.02135	1.9
109.06620	1.9
111.08124	1.3
115.91443	1.2
117.07102	1.1
119.05039	2.9
120.05811	3.5
121.06635	1.5
123.04532	1.4
123.08161	3.3
125.09731	16.5
130.07230	1.0
133.06589	4.4
135.08171	100.0
136.08507	4.3
137.09758	1.8
151.11221	1.2
161.09695	1.4
163.11304	1.4
175.07657	2.1
176.44734	0.9
185.11847	24.7
186.12198	1.6
189.12831	3.9
198.21654	1.2
203.10905	2.1
205.15942	2.6
209.11858	3.8
211.13364	4.3
221.11935	2.6
223.13454	3.3
235.13412	2.1
237.15172	1.5
243.17526	12.3
244.18202	1.2
247.13365	6.3
249.14914	14.1
250.15175	1.1
261.14954	4.6
261.18610	2.5
263.16461	7.0
269.15521	2.3
287.16562	26.9
305.08591	2.0
305.17578	82.6
306.18039	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
53.61117	0.4
55.01884	1.2
57.03461	2.4
59.01126	0.4
59.01382	2.5
59.84665	0.4
65.03976	2.9
69.03470	1.2
70.26009	0.4
71.01395	0.5
71.05025	7.0
79.05532	12.5
80.02692	0.7
83.05038	1.2
91.05537	0.7
93.03449	1.0
93.07084	0.7
93.41948	0.4
94.04277	0.8
95.05013	2.2
97.06597	13.1
102.71904	0.4
103.02200	0.4
106.04250	9.3
107.05083	2.8
108.05439	0.5
108.63737	0.4
109.06604	3.6
117.07104	2.1
119.05053	2.2
120.05830	5.4
121.06643	3.2
123.08183	6.7
125.06113	0.7
125.09730	18.1
133.06593	1.4
135.08174	100.0
136.08525	3.9
137.09718	1.6
141.01729	0.5
151.11307	3.2
159.08092	0.6
162.06821	1.0
163.11263	1.2
165.09225	0.6
171.10338	0.9
176.08421	0.5
177.12860	1.0
179.39052	0.4
183.10333	0.7
185.11839	2.7
185.31226	0.5
189.12889	2.1
199.13403	0.7
205.15984	5.3
207.10181	2.0
209.11858	1.8
211.13530	0.5
221.11792	2.3
231.13966	2.3
233.11815	1.3
235.13335	0.8
243.17609	1.0
247.13248	0.9
249.14966	46.3
250.13002	0.6
250.15318	3.5
251.05522	0.5
261.15198	1.0
261.18604	0.9
263.16519	2.5
269.15506	2.2
277.18060	3.7
287.16513	10.9
288.16745	0.5
305.17596	71.3
306.17972	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	305.1764
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03432	1.4
59.01379	4.1
60.58161	0.8
61.98832	0.9
71.05025	33.6
72.03062	0.8
75.11519	0.8
81.03489	4.0
81.03896	0.7
83.05038	1.1
88.03359	0.8
93.03458	1.8
95.05036	13.3
97.06574	1.5
106.04256	2.4
107.05053	1.6
108.02225	1.0
109.06607	14.2
111.04535	1.4
112.07246	0.9
117.54382	0.8
119.05035	1.3
121.06605	4.5
122.03758	2.4
123.04518	1.4
123.08173	1.3
125.06157	1.0
125.09746	1.9
127.07659	2.1
133.06653	0.9
135.08185	7.7
136.05348	0.9
147.04539	1.9
147.08156	2.3
148.53416	0.7
149.06065	2.0
153.09218	1.0
161.06100	2.7
161.09769	1.3
164.08405	0.9
165.09244	9.5
179.14491	0.9
185.11870	1.8
187.11288	1.1
189.12843	12.4
190.13037	1.2
205.15987	8.3
213.12895	1.0
231.13853	2.5
233.11786	6.7
243.17516	7.6
244.17761	0.8
245.15509	1.2
249.14978	11.3
261.18658	3.3
263.16385	1.0
269.15463	2.6
287.16559	67.1
288.16776	6.2
289.14465	1.5
305.08322	2.8
305.17618	100.0
306.17969	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1764
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03466	1.7
59.01388	5.7
61.98842	1.5
69.20621	0.8
69.79745	3.0
71.05027	41.5
80.02666	1.1
81.03464	3.4
83.05038	1.3
93.03474	3.2
95.05032	16.3
96.05370	1.0
97.06571	1.1
106.04262	2.1
107.05042	1.8
109.02942	1.5
109.06587	15.3
110.03750	0.8
111.04512	1.7
113.50971	0.9
119.05025	1.2
121.06593	6.2
123.08189	1.3
127.07674	2.2
133.06563	1.3
134.03761	1.0
135.08199	3.4
139.07620	1.1
141.01736	1.8
147.04576	2.2
147.08192	3.1
149.09763	1.3
150.06902	1.5
153.09216	1.2
155.10782	1.1
161.02443	1.0
161.06078	3.9
161.08525	1.0
161.09712	1.2
162.06902	0.9
162.91177	1.2
164.08435	1.4
165.09200	14.4
177.90579	0.9
189.12881	14.1
190.13266	1.3
205.15977	9.6
217.16200	1.1
231.13881	2.3
233.11839	7.8
243.17537	10.0
243.49075	1.1
244.17842	1.1
245.15488	1.3
249.14977	11.2
261.18628	1.3
263.16599	1.3
269.15594	2.5
287.16544	77.1
288.16962	5.6
289.14532	1.1
305.17618	100.0
305.21127	7.4
306.17978	8.9
306.21146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
70.67661	2.3
82.31710	1.4
85.73508	1.4
91.08086	1.6
127.67343	1.4
219.42508	1.6
305.24884	100.0
306.25195	10.6
311.31052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03147	0.4
69.23982	1.3
69.24392	0.8
75.41985	0.4
85.02959	1.1
98.22694	0.5
107.05109	0.9
109.02962	3.2
117.03474	0.5
133.02969	3.8
134.03781	3.1
135.04538	100.0
136.04883	4.2
150.03221	0.4
151.04039	0.6
161.02440	3.4
175.07590	0.5
179.03510	94.2
180.03856	3.7
184.18874	0.5
289.07254	2.0
307.08273	14.1
308.08542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
66.57719	0.4
69.08173	2.9
71.01382	3.2
81.80454	0.5
82.01749	0.7
83.04893	1.6
85.02976	0.9
85.04080	31.5
85.99934	0.5
87.00877	3.9
89.02463	1.5
98.21884	0.8
101.02421	0.5
117.37164	0.4
121.02940	0.5
127.02597	1.0
128.03415	0.5
129.04199	100.0
130.04575	1.0
145.03735	0.6
212.69022	0.4
307.09000	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96712	0.8
70.46843	0.5
74.99078	7.6
87.78281	0.3
91.02221	2.4
93.00150	2.1
143.05359	0.5
146.20493	0.3
149.00957	2.7
159.08487	6.3
161.06367	1.8
192.98175	0.5
206.99721	1.8
209.01302	2.6
217.07234	0.7
223.02849	51.0
224.02908	4.3
241.03831	0.6
275.05826	0.9
289.07578	1.6
291.09125	100.0
292.09250	10.5
307.12155	2.5
309.10144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99639	0.2
53.79453	0.2
55.26804	0.2
59.96725	0.5
69.52717	1.1
74.99079	6.6
75.87386	0.2
83.25275	0.2
91.02219	3.2
93.00135	1.7
98.21826	0.3
102.91586	0.2
129.52626	0.2
149.00957	2.8
159.08484	7.5
161.06419	1.5
192.98152	0.5
206.99696	1.6
209.01292	2.6
217.07233	0.9
223.02844	50.1
224.02875	3.6
225.00752	0.3
241.03870	0.8
275.06125	0.4
289.07523	1.9
291.09116	100.0
292.09222	9.9
307.00729	0.3
307.12305	2.2
309.10165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.37709	0.5
55.01877	1.1
57.03443	0.6
58.00607	1.0
59.01384	54.7
62.99928	0.5
64.00044	0.6
69.03472	0.7
71.01387	25.6
72.01721	0.8
72.99315	0.8
73.02952	2.2
74.56356	0.6
83.01410	2.6
83.05048	0.7
85.02962	5.7
87.00892	1.5
87.41244	0.5
89.02451	20.3
95.01417	1.7
99.00889	0.7
99.08167	20.9
100.08455	0.7
101.02455	15.7
112.88928	0.5
113.02451	8.2
113.03166	0.7
119.03513	8.8
127.07664	6.2
129.09238	2.5
135.04564	7.7
141.09221	2.7
143.03468	0.6
145.08717	67.7
146.09082	2.0
161.02386	0.6
161.04564	0.9
173.06110	0.7
173.09677	0.6
175.11356	1.6
179.03522	6.5
179.05710	1.0
187.09773	2.5
191.10854	0.7
263.09152	0.7
272.05453	0.6
294.84927	0.6
307.08292	3.2
307.14026	100.0
308.14407	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	307.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51924	0.6
55.01866	1.6
55.64564	0.6
57.03453	1.3
58.00609	1.4
59.01385	56.2
61.00418	0.8
69.03460	8.4
69.99981	0.7
70.34769	0.7
71.01389	26.4
72.99307	1.3
73.02953	2.9
75.00890	0.8
78.95882	0.7
79.95756	0.7
80.96523	2.0
83.01405	2.3
85.02953	7.9
87.00867	2.1
89.02452	20.7
95.01392	2.3
95.05100	0.7
96.96038	0.7
97.02948	1.5
97.06545	0.7
99.00885	3.1
99.08164	25.5
101.02459	18.9
104.49718	0.8
113.02463	10.0
119.03513	9.3
121.03011	0.7
127.07663	6.1
129.09227	3.0
133.06596	1.1
134.03758	1.0
135.04544	16.3
138.55972	0.8
141.01979	0.7
141.09229	2.6
145.03027	0.8
145.08725	74.3
146.09071	2.5
146.92506	0.6
160.01723	1.0
161.02432	1.1
161.04585	2.3
161.09799	0.7
175.04048	1.6
175.07669	1.6
177.12924	0.6
179.03523	17.3
179.05238	0.9
179.19724	0.6
185.00929	3.3
187.09727	1.5
201.09158	0.7
207.31161	0.6
219.10277	1.0
219.13925	0.9
245.11855	0.7
263.09424	1.0
263.12930	0.9
269.03021	0.7
270.04013	1.0
290.10471	0.8
307.08301	6.0
307.14029	100.0
308.14413	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	307.1555
Annotation	Neovasinin
Peak:m/z	Relative Intensity
65.00320	5.3
69.82452	3.2
69.82777	7.0
81.03475	8.3
82.00580	2.8
86.95100	2.6
92.99538	2.7
93.65474	2.5
95.01411	3.1
96.22374	2.9
97.02979	6.4
109.02949	12.1
110.00096	4.4
122.00112	6.4
123.00874	9.0
125.02451	4.1
125.99591	7.6
137.02452	94.2
137.99606	9.5
143.63251	2.8
153.01936	8.5
153.99074	3.5
155.03543	26.4
181.01425	40.9
189.50302	2.8
196.03781	62.7
205.12344	3.1
233.11798	5.7
248.14204	8.4
263.16440	5.0
292.13214	23.9
307.15536	100.0
307.18915	6.9
307.22672	3.6
308.15921	10.4
328.98907	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35664	0.5
54.11970	0.5
55.01879	9.3
57.03448	6.0
58.00580	1.0
59.01383	94.0
60.01724	0.9
67.08875	0.5
69.03442	0.7
69.94575	1.7
71.01388	100.0
72.01730	1.2
72.99296	2.9
73.02952	36.5
75.00887	2.3
81.03455	0.7
83.01396	16.2
85.02956	43.6
86.03281	0.9
87.00880	5.9
87.04495	0.8
89.02451	29.8
91.27778	0.6
95.01401	8.4
97.02943	3.1
98.45100	0.6
99.00886	12.8
101.02451	87.3
102.02803	2.0
102.49961	0.5
111.00875	1.7
113.02460	42.6
114.02824	1.1
119.03516	10.6
125.02452	2.4
129.01955	1.8
131.03503	1.2
133.06609	4.3
135.04529	4.8
143.03490	4.1
143.10802	2.1
159.03003	8.8
160.03471	0.5
161.04572	34.2
162.04974	0.6
175.04041	0.6
175.11356	0.8
179.03522	4.3
179.05592	0.9
199.83885	0.7
233.15913	0.6
247.04420	1.9
307.05893	3.2
307.17673	22.9
308.06433	0.6
308.17975	1.6
326.02573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.0
59.01371	8.2
61.98828	5.0
65.03970	64.3
65.14356	5.3
65.77159	5.1
68.05547	4.6
71.05035	40.6
97.06599	83.0
107.06688	4.4
117.69409	4.5
119.08652	13.6
121.02876	4.9
121.06608	100.0
125.09747	58.1
131.47133	4.8
135.04530	37.9
151.85899	4.8
172.88188	4.6
179.03506	46.0
185.11848	99.3
186.12195	5.8
209.11842	35.3
211.13365	38.8
235.13419	98.7
236.13770	7.0
289.17996	18.6
307.08670	4.8
307.19147	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
57.17781	0.3
59.01379	2.5
69.03442	0.7
71.01405	0.3
71.04657	0.5
71.05025	6.2
72.93034	0.4
74.71727	0.3
79.62114	0.3
80.02680	1.3
81.03470	2.1
83.05028	2.1
85.06593	0.5
95.05012	1.9
97.02959	0.5
97.06605	0.5
98.03731	1.9
106.04253	1.2
107.05039	1.0
109.06601	15.4
109.20366	0.4
110.03756	0.9
110.06934	0.4
111.03825	0.6
111.04535	7.4
111.08195	1.5
112.05309	0.8
121.06583	0.7
123.04534	0.4
123.08172	1.3
125.06099	0.4
125.09702	0.3
126.90561	0.3
127.07669	4.4
130.78659	0.3
133.10231	0.4
135.08125	0.8
135.11768	0.4
135.96815	0.3
137.06075	0.9
137.09727	1.0
143.10793	2.1
145.06607	2.6
149.06065	0.7
149.09723	1.8
151.11264	0.7
157.12289	0.3
163.11331	0.7
164.36009	0.4
167.10788	2.4
177.09175	0.4
177.12813	0.5
179.10803	1.3
191.14404	0.9
195.13896	4.4
215.14310	0.5
227.18260	0.4
233.15495	0.5
235.13356	2.5
245.19112	5.7
246.19528	0.5
247.17082	0.4
249.14975	0.9
251.16452	1.6
259.13422	0.3
261.18692	0.7
271.17023	1.9
287.16534	2.6
288.16840	0.5
289.18109	100.0
290.18445	6.5
307.19159	12.4
308.19479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10500	2.9
57.03441	3.1
57.27766	2.8
59.01369	8.2
61.27852	2.6
67.01903	3.5
69.08792	20.7
74.07418	2.6
80.02677	3.8
81.03468	6.9
83.01389	7.5
88.66689	2.7
97.02975	4.5
97.06600	10.3
109.06622	3.9
109.48257	3.1
110.03738	2.5
120.05508	2.6
121.06636	3.2
123.04533	10.2
123.08110	3.2
125.09759	20.0
135.08173	4.1
137.09775	13.1
149.06133	3.4
163.11299	19.6
179.10835	4.4
181.12341	4.9
185.11870	21.6
191.14459	25.8
207.10271	11.1
209.11888	33.8
217.16013	2.9
225.11356	11.4
245.19133	39.9
263.20157	5.2
271.17108	6.6
289.14954	6.5
289.18124	100.0
290.18494	7.2
307.15875	5.4
307.19174	65.2
308.19482	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01303	2.5
56.64619	2.4
57.03451	13.1
59.01376	9.6
64.91527	2.1
69.03434	4.1
69.75023	8.9
69.95574	2.6
71.01382	8.6
71.05035	4.2
83.05034	7.7
93.03490	4.4
95.05024	3.9
97.06591	25.7
98.22592	4.0
107.05051	3.2
107.08706	2.6
109.06599	8.8
111.08199	15.4
119.98993	2.6
121.02985	2.5
121.06633	5.4
123.04531	3.0
125.09743	7.8
126.81065	2.8
127.11315	3.3
133.10234	3.0
135.08182	5.2
137.09758	5.4
138.06863	2.5
143.08882	2.4
143.69278	2.2
149.09799	3.7
151.11308	27.3
153.09279	6.6
153.12877	4.9
153.33690	2.4
155.10780	15.0
163.11320	9.8
164.75514	2.4
165.12856	31.6
167.10796	6.4
169.12352	4.2
171.10262	7.7
177.12923	5.7
177.57141	2.4
179.10835	5.3
181.12373	35.2
185.11855	12.9
191.10789	9.7
191.14449	10.8
195.10306	2.9
197.11836	3.7
205.12375	3.6
208.85455	2.3
209.11845	49.6
211.13458	11.1
215.89429	2.4
217.15971	2.5
224.10626	3.2
239.09320	4.3
245.19122	44.1
246.19444	3.6
261.18716	4.3
263.20160	19.4
271.17053	4.5
279.19656	5.1
289.18146	57.6
290.18420	4.4
307.19180	100.0
308.19391	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.55550	2.1
53.62126	2.3
56.18846	2.5
57.03450	9.5
59.01388	6.4
70.58637	2.5
71.01395	4.5
83.05050	5.1
95.05061	4.1
97.06579	13.9
101.87876	2.7
105.00873	2.0
107.04996	2.6
109.06587	3.6
111.08186	7.5
123.04526	3.8
125.09746	4.1
127.11313	2.7
135.04482	3.1
149.09778	3.7
151.11316	14.9
153.09200	4.1
154.51256	2.6
155.10786	12.5
163.11317	5.1
165.12833	21.4
167.10796	4.5
169.12389	3.3
177.12827	3.3
179.10800	4.7
181.12360	18.3
191.10826	8.1
191.12657	2.0
191.14426	10.4
195.10304	2.9
198.48076	2.0
205.12433	3.4
209.11813	30.1
211.13390	7.2
211.43953	2.5
233.53952	2.5
245.19124	34.2
246.19409	3.8
263.20218	7.6
271.17236	3.2
279.19611	3.0
289.18112	46.5
290.18478	5.2
307.19177	100.0
308.19550	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03442	6.1
57.47615	1.9
58.15402	1.7
58.50528	2.3
58.86247	2.1
61.98831	8.0
65.03970	48.8
69.51135	10.0
71.05025	37.6
71.34029	1.9
76.10397	1.8
78.76556	1.9
83.05037	2.5
97.06598	58.3
119.08677	8.9
121.06606	91.2
123.08160	5.6
125.09735	33.3
135.04495	2.3
135.08148	3.0
137.09711	4.5
141.12871	2.2
152.91582	2.4
156.91106	2.0
175.71364	2.1
179.03510	3.9
185.11839	66.1
186.12177	4.4
191.14491	2.2
209.11847	33.6
211.13405	31.7
233.15466	3.0
235.13412	100.0
236.13754	7.5
251.16632	4.9
274.86472	2.1
279.19604	3.1
289.18149	27.4
307.19168	29.3
308.19440	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	307.192
Annotation	Albocycline
Peak:m/z	Relative Intensity
59.01383	10.5
61.98843	20.1
69.15551	48.2
83.15721	8.8
98.22557	16.9
99.71655	9.4
107.08695	27.9
125.09779	14.8
135.04556	69.8
148.86342	11.0
179.03532	56.9
188.59065	11.1
189.25400	9.7
199.09850	24.9
245.19020	24.5
289.18112	48.9
307.15750	20.1
307.19064	100.0
316.62228	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.0
61.98843	21.4
69.68199	7.9
71.39245	8.4
80.47279	7.0
107.08665	13.9
121.10306	10.5
135.04521	57.0
136.63495	7.8
144.58607	8.1
164.90816	10.1
179.03540	70.1
183.55119	8.3
197.23312	7.8
199.09712	17.7
245.19173	18.1
263.16531	8.7
276.06009	7.7
289.18082	32.5
307.15814	14.0
307.19186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
67.03240	1.0
69.80144	4.0
74.49452	1.1
74.89027	1.2
76.72552	1.1
81.68562	1.0
98.22579	1.5
104.47760	1.2
105.25827	1.0
135.04523	3.7
137.09743	2.6
167.14442	3.1
173.06161	1.3
179.03505	3.3
196.24370	0.9
261.34467	1.0
263.23892	1.6
273.75858	1.2
307.11169	2.4
307.22806	100.0
308.23093	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	307.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
57.37451	0.5
64.32995	0.4
65.37915	0.4
69.52991	1.9
82.55718	0.4
83.48821	0.5
94.81967	0.5
97.06572	0.9
106.55323	0.4
122.80006	0.5
123.08173	0.7
125.09735	3.3
135.04543	1.7
141.12843	0.9
163.11282	0.9
178.22397	0.5
179.03523	2.0
185.11844	7.1
197.11865	1.6
258.85303	0.5
263.23853	0.7
291.09052	1.3
307.22815	100.0
308.23178	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	308.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69433	1.5
58.02964	2.8
59.01370	1.7
64.95660	1.8
68.03181	1.9
69.84464	6.4
71.01385	26.4
73.50076	2.0
74.02467	3.0
80.27289	1.8
84.04542	2.1
85.02965	2.7
86.02512	1.9
87.05630	2.5
88.04012	2.5
88.37616	1.7
99.05638	4.4
108.02185	3.9
114.01977	29.7
115.00382	32.0
117.03458	5.0
123.04517	4.4
128.03522	8.7
132.03020	14.0
133.01378	3.4
134.03749	100.0
135.04230	1.8
143.04642	13.7
149.06091	52.3
160.01718	3.8
161.02419	1.7
162.03165	4.2
163.68381	2.0
175.04036	5.6
176.07205	2.7
177.04257	2.0
177.05621	4.0
177.07961	2.3
179.04712	2.0
187.06424	2.3
192.06667	23.6
193.05078	68.7
194.31979	2.0
210.08868	2.5
221.12187	6.3
246.07866	9.5
254.07993	3.0
261.18402	2.0
264.08823	7.6
272.08881	3.8
290.06610	3.2
308.07764	68.6
309.08078	7.9
309.13754	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	308.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71844	0.3
50.79249	0.4
51.34055	0.3
55.35677	0.4
59.01385	1.0
61.38130	0.4
70.02969	0.3
70.44253	0.6
71.01390	4.6
72.00919	0.6
83.16857	0.3
88.04048	28.3
89.04410	0.4
114.01985	4.8
114.99567	0.6
115.00380	11.6
116.22851	0.3
132.03040	100.0
133.01483	0.4
133.03416	2.0
134.02725	0.8
134.03748	14.7
135.04262	0.4
143.04637	0.4
145.24652	0.4
149.06093	5.8
158.01048	0.4
160.01692	1.4
175.04042	1.7
187.06287	0.3
192.06706	1.4
193.05067	5.4
204.06558	0.4
219.69098	0.3
220.09865	0.4
246.07861	0.8
264.08804	1.2
308.07803	9.2
308.14453	1.4
309.08472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1871
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
54.01709	0.1
58.02982	1.3
59.01381	0.2
69.59272	0.2
69.59678	0.4
81.03471	0.4
83.05075	0.2
95.05040	0.5
97.06602	0.3
98.21937	0.3
109.06615	0.6
114.09258	7.5
115.09617	0.2
116.07185	100.0
117.06844	0.2
117.07535	2.0
137.09706	0.2
158.08257	0.4
165.12865	0.7
171.10272	0.5
247.79892	0.1
290.18033	0.1
291.19333	0.3
308.18689	29.8
309.10281	0.2
309.18948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51012	5.9
71.01386	24.2
73.89619	1.6
89.03982	2.2
95.01404	11.7
115.00389	16.6
117.03465	8.9
121.02944	2.0
123.00885	5.2
133.01447	27.8
134.03758	90.7
135.04091	1.9
137.02487	6.5
138.03183	2.0
139.00417	10.9
149.06044	5.4
166.99873	5.9
178.02762	3.7
181.01515	3.3
182.02254	2.1
193.05069	100.0
194.05370	3.3
195.02975	1.8
197.04572	5.6
202.15051	1.4
238.07204	2.0
280.09402	27.5
294.10840	1.7
295.11700	26.5
310.14133	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62187	1.6
56.33157	1.3
62.25298	1.3
69.15237	4.8
69.15651	4.1
71.01385	20.3
72.99335	2.5
89.03985	2.0
95.01408	5.8
101.47665	1.3
101.96030	1.3
115.00387	41.1
115.01159	2.6
117.03481	4.2
123.00898	2.8
130.55830	1.2
133.01445	91.3
134.03754	100.0
135.04120	2.8
136.02214	1.3
137.02464	3.8
139.00417	6.1
149.06091	4.6
154.89804	1.4
155.19775	1.3
159.97517	1.5
166.99898	3.2
181.01451	3.4
193.05080	74.3
194.05455	4.3
196.60387	1.3
197.04601	3.3
241.33099	1.4
280.09439	12.9
292.33197	1.4
295.11722	14.5
310.14099	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	309.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.43406	1.0
56.73217	0.9
59.01383	74.4
59.05817	0.9
61.00434	46.1
65.70959	0.8
67.03014	3.9
70.00715	1.5
71.01389	41.6
72.99337	1.1
73.02969	2.3
78.95951	1.1
79.65156	0.9
83.01379	2.0
83.02507	4.2
85.02981	7.0
85.04079	27.6
87.00860	1.5
89.02452	47.0
95.01387	2.1
99.00906	1.2
101.02447	20.7
113.02467	16.6
119.03510	21.2
125.02436	1.0
129.04202	20.0
131.03502	1.6
143.03487	4.3
148.06276	3.6
149.04535	2.2
161.04549	5.3
179.05615	7.9
200.16527	0.9
241.00713	1.1
247.09358	100.0
248.09639	4.2
250.03300	1.1
309.10532	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03452	0.8
59.01384	100.0
61.98820	1.6
63.65946	1.0
69.86140	2.9
71.01385	37.5
72.99305	1.2
73.02968	1.4
74.19262	0.8
75.00887	2.5
76.33241	0.8
78.36017	0.9
78.55122	0.8
81.03473	0.8
83.01385	2.3
83.32791	0.9
85.02952	7.7
87.00877	1.3
87.04522	7.3
89.02450	44.6
95.01402	2.5
101.02449	25.3
113.02461	15.7
119.03503	23.8
119.04343	1.5
121.02890	0.9
123.04522	1.8
124.98451	1.6
127.05140	1.0
129.05605	1.2
131.03525	1.5
135.04539	2.2
143.03540	1.8
149.02464	2.1
149.04573	1.0
150.03210	1.5
150.42166	0.9
151.04004	1.6
161.04549	1.7
162.00658	1.1
164.03532	3.0
166.92012	1.0
166.99522	1.8
168.01585	2.6
179.03479	0.9
179.05643	2.8
181.04002	1.8
210.02600	3.2
227.05350	1.1
277.16495	0.8
297.47842	0.9
309.11942	73.8
310.12360	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.54145	1.3
55.03157	1.4
58.00595	1.7
59.01384	100.0
69.95350	3.0
71.01386	45.7
72.99300	1.9
74.98679	1.5
77.72862	1.3
83.01395	2.5
85.02965	8.6
89.02451	43.7
95.01398	4.5
101.02451	25.2
113.02447	15.4
119.03519	22.8
143.03532	2.3
147.06586	2.1
179.05658	3.5
201.38162	1.3
293.01401	1.4
309.11932	80.7
310.12357	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	309.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.2
59.01390	2.3
61.98830	2.1
70.66182	3.2
73.02968	2.2
74.03497	1.4
95.01412	9.8
95.93944	1.6
99.00886	100.0
110.03739	1.5
117.01949	4.4
137.06120	6.3
139.28253	1.6
151.04030	2.8
151.07668	4.6
152.08424	12.5
159.43042	1.6
160.76707	1.5
167.10814	10.8
171.10361	1.8
177.09349	1.7
180.07921	1.8
184.07410	2.6
190.10001	5.0
207.13950	2.1
208.11053	11.9
209.15465	42.3
210.15829	3.1
221.19276	3.0
247.17125	2.9
265.18097	11.0
267.12375	1.6
291.19806	2.5
309.13773	2.9
309.17117	15.3
309.20584	2.9
310.07220	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.9
57.21545	5.5
58.93698	5.5
61.48215	6.5
61.98830	6.1
68.52061	6.1
73.87162	6.4
80.02693	8.6
84.36390	5.5
92.92811	7.9
114.58395	6.1
123.08166	15.9
125.09715	18.0
137.09721	12.0
139.11330	7.1
151.03995	12.9
151.07639	14.4
152.08421	28.9
155.10782	50.2
166.56326	5.9
167.10709	8.2
171.04497	8.2
171.10295	80.3
185.11842	100.0
185.17039	6.1
209.15450	35.3
212.10432	6.6
214.32309	6.1
252.10191	7.5
263.20270	8.5
265.04947	10.4
265.12354	9.1
265.17993	9.3
267.06549	13.5
281.21240	11.5
291.16507	6.4
291.19547	31.5
309.17014	55.4
309.20731	37.4
310.07162	30.8
325.16464	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29436	1.7
56.38010	1.5
57.03444	1.9
57.45707	1.8
59.01374	6.9
67.46208	1.7
68.99773	1.8
69.03452	10.7
69.29477	7.1
80.96525	9.2
83.05042	2.7
83.89826	2.0
85.02921	3.3
91.01909	2.7
95.01379	3.0
97.02956	31.5
97.06576	2.1
107.08703	3.0
109.06545	2.4
111.08176	11.9
119.08681	10.4
127.11285	2.8
135.08171	3.8
137.09743	40.8
138.01978	3.2
138.10081	2.2
155.10741	2.4
163.00340	4.2
163.99815	2.1
169.12357	2.4
171.04535	5.7
171.10284	78.6
172.10574	3.0
185.11832	2.3
193.06534	1.7
195.13966	1.7
197.11845	40.8
198.12186	1.9
198.83131	1.7
199.13434	2.0
201.11267	12.3
206.00900	2.6
209.15421	1.9
211.13408	8.2
221.06107	3.6
221.11832	3.7
229.19603	2.1
239.12822	2.9
263.07245	1.9
263.20197	3.9
265.05060	4.1
265.17996	1.7
267.06647	7.8
273.18665	8.8
279.06635	3.7
282.07782	2.0
291.19739	37.5
292.20059	3.8
294.09064	2.9
309.10245	8.1
309.20749	100.0
310.07263	25.5
310.21091	7.6
310.24472	2.0
324.36273	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67305	2.1
58.75576	2.0
59.01373	6.0
71.05032	15.4
81.03468	5.7
88.33900	1.9
91.01820	2.0
97.06601	8.5
121.10236	7.2
122.79990	2.2
125.09727	8.0
137.09737	22.6
163.32567	2.0
171.10291	51.3
185.11815	12.8
197.11836	3.3
209.11765	2.3
209.15300	3.5
247.20734	2.9
251.16560	37.3
252.16811	2.5
265.04913	1.9
273.18802	2.5
288.68793	1.9
291.19672	100.0
292.20065	7.0
309.17166	4.6
309.20737	94.3
310.07407	4.5
310.21072	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59432	2.9
59.01382	7.0
60.67674	3.4
61.98825	3.5
69.10204	2.6
116.55598	2.9
125.09731	5.0
135.90619	2.7
137.09708	5.9
163.11275	4.1
165.12938	7.1
171.10284	15.7
181.12381	5.7
185.11702	4.2
247.20717	5.3
247.82353	3.4
291.19696	100.0
292.19977	10.2
309.17578	3.2
309.20749	84.6
310.07230	4.8
310.20975	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	309.2074
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
59.01380	4.5
69.03452	3.2
69.66073	3.6
76.29325	2.3
76.34566	2.4
81.03407	2.2
85.97343	2.9
96.50709	2.1
103.74510	2.7
107.08657	15.7
111.08154	2.6
119.08672	18.1
120.77853	2.2
121.10278	4.2
123.79665	2.4
125.09736	6.5
127.07604	2.5
137.09792	2.8
142.07944	2.5
155.10786	2.4
169.63181	2.8
171.10286	76.7
172.10649	4.7
175.14906	3.0
176.27234	2.4
183.10204	4.6
185.11874	7.2
189.79807	2.2
197.11848	17.1
211.13474	3.0
215.83627	2.2
229.19621	13.7
261.18628	16.4
273.18597	39.6
279.19638	5.8
291.19687	51.2
292.20081	5.7
309.20761	100.0
310.07138	8.6
310.21155	10.8
321.50620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.16330	5.4
59.01382	81.6
61.98833	7.4
69.03465	8.5
70.89097	11.2
72.43578	5.3
92.92771	8.4
97.02944	40.1
107.08627	5.8
119.08665	8.6
137.09714	34.5
145.63979	5.2
152.91805	7.6
155.07365	5.0
155.20714	4.9
171.10297	53.0
185.11865	9.4
209.15395	7.2
264.56848	6.1
273.18552	7.7
291.19672	30.6
309.17325	9.5
309.20703	100.0
310.07251	13.1
310.21301	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	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03443	2.1
58.00616	1.7
59.01387	2.3
67.79139	1.3
68.15520	1.6
69.03452	3.9
69.35188	7.5
77.25311	1.4
83.05018	1.9
83.52180	1.8
97.02953	14.6
99.00867	7.6
109.06548	2.3
111.08165	12.0
116.38880	1.6
119.08692	11.9
125.09691	2.8
137.09746	17.3
151.04036	22.2
151.07642	13.4
152.08441	67.0
153.08772	3.1
155.10815	2.1
167.10797	1.9
169.12323	2.4
171.10281	40.1
181.12303	1.6
183.13937	4.0
184.07457	2.0
185.11856	5.9
190.09995	4.1
193.08667	4.2
195.13805	3.0
197.11832	37.2
198.12209	2.4
199.13342	1.7
201.11319	3.4
208.11014	5.7
209.13550	3.1
209.15475	58.6
210.15765	4.0
211.13391	7.2
221.11858	1.9
229.19550	2.2
233.15561	2.9
247.16997	3.2
247.20682	2.2
251.16428	2.7
252.10133	12.8
253.89099	1.5
263.20221	2.1
265.18094	11.9
273.18494	4.7
291.16409	2.2
291.19638	36.3
292.20059	2.6
309.17032	100.0
309.20685	67.3
310.17410	7.3
310.21094	5.2
321.85684	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.8
60.15732	1.5
61.98842	2.9
66.14654	1.7
69.03465	5.1
70.51939	3.6
89.24200	1.6
92.25876	2.4
92.92860	2.2
95.01402	3.6
97.06641	2.6
99.00893	8.6
101.06079	3.3
103.54684	1.8
115.07616	2.4
119.08670	10.0
125.09739	6.4
137.09724	19.4
149.09639	2.2
151.04028	20.5
151.07684	16.7
151.11246	1.9
152.08441	51.9
152.91827	2.9
153.09009	3.7
155.10783	2.6
162.09293	1.8
162.10515	8.0
167.10777	5.0
171.04596	2.9
171.10291	65.9
172.10657	1.9
179.07196	2.0
180.07878	3.7
183.13948	2.6
184.07300	2.3
185.11804	14.0
190.10054	4.3
193.08702	7.2
201.11389	3.7
208.11102	6.7
209.15480	59.7
210.15800	3.6
213.11342	4.9
219.17551	9.4
247.17122	3.0
252.10124	11.4
265.18158	12.4
273.18561	4.5
281.17719	5.1
291.09177	4.2
291.16467	3.9
291.19626	22.7
292.20132	2.5
309.17081	100.0
309.20737	24.6
310.07263	7.8
310.14169	2.3
310.17471	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90152	3.6
59.01372	3.0
63.96349	4.1
65.95612	3.1
70.17398	3.5
70.17723	4.5
75.67512	3.0
86.84881	3.3
92.92793	3.9
99.00878	10.9
111.08191	16.2
120.75431	2.8
151.04024	23.0
151.07632	17.0
152.08432	57.0
171.10245	11.3
190.09917	3.9
193.08734	3.8
193.12331	4.0
197.11848	47.4
198.12181	4.2
208.11011	7.9
209.15486	71.0
210.15736	3.6
211.13373	7.3
225.14862	4.3
247.17078	4.7
251.16560	12.3
252.10097	8.8
265.18054	14.0
273.18582	4.3
291.16394	5.1
291.19629	20.0
309.17062	100.0
309.20703	31.9
310.07132	7.3
310.13953	3.7
310.17502	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26687	1.0
55.32175	1.0
69.03481	1.7
83.05028	1.2
98.22692	2.9
109.06556	1.8
111.08164	35.9
112.34202	1.2
127.07636	3.5
137.09737	2.3
151.11311	2.1
153.12907	1.6
169.12350	6.3
171.10295	3.2
179.10736	1.6
181.12367	3.0
183.13956	1.8
187.37186	1.2
197.11841	100.0
198.12173	6.8
199.13417	3.9
211.13376	11.1
212.13661	1.5
227.12837	1.9
248.48683	1.3
263.20172	8.4
265.18045	2.7
273.18558	2.9
291.19675	20.3
292.20068	2.3
309.17114	2.0
309.20728	36.2
310.21039	3.6
319.70673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01384	0.7
60.03485	0.6
68.71317	0.6
69.06677	4.2
73.02949	0.7
75.67272	0.5
97.06610	0.9
104.54619	0.7
123.08174	1.5
125.06140	0.9
125.09725	5.6
127.11304	1.1
137.09743	1.6
139.11235	1.5
141.09222	2.3
141.12927	0.6
153.09213	1.8
155.10815	1.3
165.12830	0.8
171.10289	3.6
183.13931	0.9
185.11903	1.4
199.09781	5.2
200.10530	6.9
201.11357	4.0
209.15488	0.9
213.11311	1.3
216.23021	0.7
247.20673	5.6
255.81624	0.6
263.20322	1.4
265.21683	2.4
273.18564	1.2
275.22311	0.6
281.21198	1.1
291.19684	16.6
292.19962	1.9
309.20731	100.0
310.21057	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.0
61.98832	16.6
71.13058	10.0
80.02666	12.3
83.05038	30.8
92.92757	10.2
99.00888	12.5
99.08115	11.9
104.54904	8.8
115.85201	8.5
137.09784	59.2
151.03978	22.0
151.07672	12.8
152.08453	59.6
153.09181	12.5
155.10832	57.2
168.91466	10.5
171.04535	19.4
171.10295	57.8
193.08661	12.8
193.12372	29.7
209.15492	47.6
221.06213	10.7
252.09988	15.8
267.06708	24.4
291.19638	76.2
309.17126	100.0
309.20667	55.2
310.07257	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03441	5.1
57.37393	3.6
59.01377	8.4
69.16174	7.9
69.16563	12.0
80.02669	9.2
83.66615	3.5
95.01382	3.9
96.96001	5.0
97.06615	4.1
99.00900	5.0
102.21149	3.4
105.89066	3.1
109.02867	3.5
121.06671	3.5
121.49387	3.7
123.08161	15.9
125.09726	18.9
127.11310	6.4
137.09746	12.8
138.01982	4.6
139.11261	6.3
151.04025	9.0
151.07683	7.6
152.08427	17.8
155.10800	37.8
159.08429	4.9
163.00377	4.2
167.10707	6.6
169.98486	3.7
171.04556	7.1
171.10292	83.9
185.11836	71.1
193.06622	4.4
195.08246	4.1
197.11829	8.0
208.11119	4.2
209.15491	21.2
212.10626	6.8
221.06219	4.1
224.02859	4.6
225.02574	42.1
226.02740	7.0
247.20683	9.1
252.10165	4.1
263.20059	6.2
265.05106	9.2
265.18011	8.2
265.21735	8.3
267.06714	6.8
280.09418	7.3
281.21097	6.2
282.07809	4.7
287.85107	3.5
291.19644	36.8
293.08890	100.0
294.09158	9.3
295.11670	7.3
309.17093	36.3
309.20740	38.1
310.07214	41.4
310.14157	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24300	1.8
57.03435	3.4
59.01369	3.4
67.42705	1.7
70.61949	2.5
71.05026	16.9
97.06599	6.4
107.05006	3.2
115.24034	1.7
119.08685	1.8
121.10258	11.5
123.04543	2.4
123.08195	2.7
125.09743	10.7
135.08194	2.3
137.09727	21.4
166.16568	2.5
171.10281	43.2
175.04056	3.4
185.11835	17.7
197.11815	2.5
211.13301	2.4
219.14038	2.6
237.14891	3.4
247.20734	2.5
251.16522	46.6
267.06436	2.8
285.85873	1.9
291.19678	100.0
292.20007	11.0
309.20743	75.4
310.07419	2.6
310.21149	6.6
310.50809	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	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03448	1.0
69.03458	9.2
69.74454	2.6
83.05027	1.9
98.21960	0.8
98.50848	0.7
106.04245	0.8
107.08694	5.5
108.05818	3.7
116.71121	0.8
119.08673	15.6
125.09715	2.8
127.11296	2.6
135.08163	4.6
137.09734	48.9
138.10060	2.7
171.10284	100.0
172.10587	4.0
185.11725	1.2
199.09793	1.0
201.11348	19.3
229.19547	1.0
260.91666	0.8
273.18692	5.4
291.19714	9.3
292.19891	1.4
309.20764	21.5
329.16684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98811	4.9
69.95656	7.2
71.05041	3.4
76.77322	2.7
76.80945	2.1
80.02704	11.4
81.03474	4.3
83.05032	39.3
84.02176	12.0
92.92813	4.3
94.92560	2.2
97.06622	6.7
98.39646	2.3
99.08151	9.2
109.06570	4.6
115.07655	4.4
123.04565	5.1
125.09758	6.9
127.11266	7.3
137.09734	52.0
139.11298	7.7
151.03999	6.3
151.07669	7.1
151.11287	6.5
152.08409	15.9
152.91736	2.7
153.09222	7.8
155.10797	55.1
167.10753	3.9
169.12315	4.1
171.10281	53.9
193.12344	33.0
204.87057	2.2
209.11909	3.5
209.15416	15.4
211.13394	3.5
227.16530	2.3
237.89796	3.5
247.20691	7.1
256.49329	2.3
263.20209	5.5
265.18097	2.8
265.21750	4.3
273.18219	2.5
281.21033	2.7
291.19678	100.0
292.19980	9.3
309.17065	29.5
309.20706	73.6
310.07364	6.7
310.14224	3.7
310.17651	2.4
310.21094	8.6
320.84045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19254	3.2
59.01383	3.5
61.98829	6.4
66.25990	4.3
70.65300	5.0
76.35651	3.7
83.01385	9.8
92.92803	7.4
95.05008	4.6
99.00898	5.0
123.04562	7.2
123.08173	6.0
125.09715	10.3
139.11284	10.0
142.38931	4.2
151.03938	7.2
152.08435	24.8
152.91779	4.3
163.11235	6.4
165.12816	11.8
171.04483	6.2
171.10287	4.1
193.16002	7.4
207.10539	3.3
209.11856	55.5
209.15430	26.8
237.89388	4.3
242.11066	3.9
242.36427	3.7
247.20680	13.1
265.18021	5.4
265.21750	6.2
267.06683	6.2
273.18542	5.8
282.07880	4.5
291.19687	100.0
292.19952	7.1
309.17044	41.3
309.20682	34.2
309.58804	4.5
310.07349	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	309.2437
Annotation	AS 183
Peak:m/z	Relative Intensity
91.71101	1.1
96.95994	2.6
151.03979	2.8
151.07663	2.3
151.18871	1.1
152.08453	8.0
169.12386	6.1
171.04510	2.5
173.77536	1.2
186.93420	1.1
209.15399	6.6
216.18967	1.2
221.06126	1.8
265.05048	2.1
265.17953	1.3
267.06628	2.0
291.20282	1.4
291.23318	8.4
309.17404	12.4
309.24384	100.0
310.07309	6.0
310.17908	1.2
310.24713	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	309.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05194	0.9
61.47912	0.8
69.27613	1.0
71.39810	1.0
79.95760	1.6
85.01569	0.9
88.35265	0.9
93.60400	0.9
96.96023	17.9
97.95648	1.0
151.04013	2.5
151.07695	2.7
152.08434	4.9
155.10745	1.5
169.12389	4.1
171.04610	1.4
171.10252	2.0
175.07813	1.1
185.11887	2.6
209.15436	5.6
225.02507	5.3
265.05075	1.2
267.06656	1.2
291.20090	1.7
291.23285	8.4
293.09067	10.0
294.08884	1.3
307.22644	2.0
307.26144	1.0
309.17355	28.2
309.24387	100.0
310.07266	4.2
310.17529	1.9
310.24792	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	309.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79628	0.8
79.95745	2.8
95.93780	1.0
95.95237	1.3
96.96020	28.0
98.21834	2.7
99.00904	1.0
125.09679	1.0
151.04021	2.3
151.07625	2.0
152.08429	4.7
171.04530	1.5
171.10284	33.9
172.10658	2.1
209.15520	5.2
221.05954	0.9
225.02664	3.3
252.10107	1.3
265.18185	1.3
267.06540	1.0
291.23206	4.2
293.08893	6.1
309.17398	36.1
309.24377	100.0
310.07291	3.7
310.17560	2.3
310.24634	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	309.2439
Annotation	AS 183
Peak:m/z	Relative Intensity
59.01369	0.8
66.84496	0.7
68.99803	0.9
70.45855	1.7
72.89575	0.9
79.95743	5.3
93.70101	0.7
96.96023	48.3
113.09814	0.7
113.10519	0.9
122.97601	1.4
127.11253	1.0
136.84618	0.9
151.04041	1.4
151.07596	1.2
152.07384	0.7
152.08412	4.2
171.04446	1.1
171.10277	30.1
172.10677	0.8
183.13852	0.9
209.15498	5.9
210.15691	0.8
231.61818	0.9
252.10039	1.6
265.18103	0.8
267.06525	0.9
291.23300	5.0
293.08661	0.9
309.17395	54.7
309.24362	100.0
310.07202	4.6
310.17770	4.5
310.24747	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	310.0935
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
59.01381	57.7
70.34494	4.5
71.01387	33.1
72.99363	2.4
73.02949	6.1
75.00874	17.8
82.88610	2.3
85.02949	12.3
87.00884	5.6
89.02446	31.0
92.05074	9.2
95.01392	3.1
98.13092	2.2
99.00903	3.2
101.02441	18.3
102.85831	1.9
113.02480	11.3
118.03009	3.3
119.03508	11.4
119.05016	25.1
120.04553	8.6
127.60497	1.8
129.01930	2.9
131.03610	6.1
132.04544	14.7
134.06186	2.4
144.04562	7.8
146.02505	36.7
146.06114	3.0
147.03278	100.0
148.04079	18.9
149.04535	6.4
150.98708	2.5
160.04057	80.8
161.04495	4.1
163.04008	35.5
165.04085	34.9
165.91068	2.0
172.04059	6.6
174.05592	12.4
179.02258	5.6
179.05676	3.7
186.05624	6.2
202.05106	22.7
203.05434	2.8
214.05119	6.2
232.06099	4.4
294.93942	2.3
310.09348	86.0
311.09940	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	310.141
Annotation	Leonurine
Peak:m/z	Relative Intensity
53.92276	0.6
54.38632	0.6
57.52370	0.6
62.56717	0.6
62.70059	0.6
65.00334	1.7
67.01907	1.1
69.03447	0.9
70.48250	1.5
81.03472	2.4
83.01389	1.4
85.02934	0.7
85.18397	0.7
93.03448	0.9
93.60750	0.7
94.00620	1.1
95.01395	29.9
95.77678	0.7
96.01715	0.8
97.02938	1.5
104.48785	0.7
109.02960	2.8
111.00893	1.2
120.99319	2.2
121.02981	4.1
122.00115	3.8
123.00895	17.9
124.01244	1.0
125.40692	0.7
127.00381	0.8
134.03738	1.0
135.04118	1.4
136.98854	1.0
137.02449	20.1
137.99602	1.2
138.01981	1.5
138.03232	4.7
139.00391	38.3
140.00632	0.9
141.01973	2.2
145.72597	0.7
151.66460	0.8
153.01976	1.3
153.05595	4.8
154.84259	0.7
155.03514	3.1
157.17642	0.6
166.02745	1.5
166.99876	19.2
169.24985	0.7
181.01440	12.5
182.02139	3.7
182.08717	0.6
191.00960	0.7
194.05438	1.5
195.02959	2.3
196.03867	0.7
196.47545	0.7
197.04573	16.1
208.03731	1.0
210.07732	4.1
220.44592	0.7
237.07738	2.0
238.07274	2.9
252.10004	1.2
253.09688	1.0
263.06674	3.0
280.09402	74.1
281.09607	3.7
294.10968	2.3
295.11746	68.4
296.12033	3.6
310.14102	100.0
311.14417	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	310.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12756	1.0
65.00330	2.3
69.31243	5.7
81.03445	2.0
94.00607	1.0
95.01401	31.3
97.02988	1.3
100.49471	1.1
108.02218	1.3
109.02979	4.1
111.00893	1.4
120.99326	2.0
121.02966	4.8
122.00093	3.4
123.00906	18.5
136.98766	1.6
137.02470	18.6
138.02126	1.6
138.03252	8.7
139.00395	41.1
141.01959	1.9
146.53920	1.1
153.05566	4.1
155.03496	3.3
166.01396	1.2
166.02730	2.6
166.99870	20.8
168.00076	1.1
181.01457	16.3
182.02252	6.5
191.01114	1.1
195.02975	3.2
197.04567	14.8
210.07813	3.3
222.05185	1.2
237.07756	2.2
238.07230	3.2
263.06784	3.4
268.12323	1.3
280.09412	94.5
281.09720	6.1
294.11017	4.1
295.11761	76.3
296.12076	5.0
310.14105	100.0
311.14383	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49482	0.5
57.03439	1.5
59.01383	4.8
69.52658	2.0
71.01372	2.8
72.99315	2.1
75.00880	31.4
85.02942	2.7
87.00871	1.8
89.02435	0.6
99.00886	5.8
101.02449	0.8
117.16441	0.4
119.05038	38.7
120.05392	1.2
124.77415	0.5
129.01962	10.9
134.03769	0.7
145.02965	1.0
147.03011	7.4
161.02428	1.1
163.04024	54.3
164.04390	2.4
165.04054	100.0
166.04399	2.1
166.99467	0.5
195.75089	0.5
200.99982	0.5
311.07672	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	311.114
Annotation	Manglieside A
Peak:m/z	Relative Intensity
55.01883	1.3
57.03448	3.2
59.01386	100.0
71.01389	26.8
72.99312	1.6
73.02950	7.2
73.84134	0.8
83.01402	3.0
85.02971	9.8
85.38848	0.9
87.00881	0.8
89.02451	17.8
89.02966	1.5
95.01385	3.9
96.01733	1.2
97.02999	1.3
99.00880	1.8
101.02454	19.1
107.05048	1.7
107.75959	0.8
113.02479	7.0
119.03530	0.9
123.00902	1.4
131.03487	4.0
133.03018	2.4
134.03772	1.8
135.04543	22.3
137.02457	1.7
138.02878	1.2
139.00429	2.5
140.00716	1.9
149.04570	4.2
153.05647	0.9
161.02470	5.6
161.04601	3.3
166.99893	1.9
168.00186	0.8
179.03510	14.8
180.03868	1.8
181.01347	1.2
188.39047	0.9
191.05672	3.4
198.04903	1.8
205.12421	1.4
223.13422	2.2
249.11375	0.9
267.12415	2.5
269.10248	3.5
272.92801	0.8
280.09464	1.8
281.09766	7.2
293.10309	1.8
295.11725	1.4
296.12143	7.3
311.09631	7.0
311.11084	6.4
311.14386	12.3
311.59888	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	311.114
Annotation	Neomajucin
Peak:m/z	Relative Intensity
55.01875	2.9
57.03447	13.0
59.01382	31.4
59.46476	2.3
62.95271	2.4
69.03443	4.7
70.68250	2.9
71.01390	30.6
71.05042	3.1
72.99312	6.1
73.02953	30.3
83.05045	4.4
85.02968	12.3
87.04523	5.5
88.04076	2.9
89.02451	24.6
95.05022	9.8
97.02953	8.8
97.06592	5.2
98.03722	5.5
99.04523	7.7
101.02449	14.2
107.05029	3.9
107.08688	8.8
109.02973	7.7
109.06580	7.9
111.04570	5.5
111.08154	4.1
113.02431	4.9
119.08669	5.6
121.06597	15.9
122.03791	5.2
123.04551	5.1
125.06030	2.7
127.07710	2.8
129.05588	4.1
131.03491	5.1
135.04568	5.9
135.08191	15.4
137.06090	6.9
137.09764	5.2
139.07660	27.5
143.28174	2.5
145.06293	3.1
147.08167	9.5
147.11812	7.7
149.04549	6.4
149.06111	3.9
149.09689	3.0
150.06796	2.9
151.07660	5.5
153.05537	7.7
157.06653	3.0
157.53915	2.5
159.11745	3.3
161.09688	4.9
163.07567	4.2
163.11311	3.0
165.09193	10.8
167.03445	2.9
169.10243	7.2
171.08182	21.1
172.08846	5.0
173.09822	4.0
175.07678	3.9
175.11310	8.7
177.09212	15.3
177.12856	12.0
185.09642	3.3
187.11295	61.1
189.09119	2.6
191.05598	3.4
191.10796	4.3
205.12349	100.0
206.12653	4.4
213.09213	4.0
219.10249	9.3
223.13423	2.6
231.10255	22.4
249.11327	47.5
250.11571	3.7
267.12576	15.2
293.10376	3.7
311.11444	61.3
312.11972	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	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73036	0.9
57.03448	1.6
59.01383	100.0
66.92121	0.9
69.39546	5.1
71.01386	9.9
73.02939	2.9
79.68768	1.0
83.01409	1.2
85.02964	6.9
87.00890	2.2
87.04501	1.1
89.02460	4.4
99.00847	1.2
101.02445	9.7
101.18601	1.1
113.02448	5.0
120.25343	1.1
122.06120	1.5
125.00987	1.2
126.98892	9.7
133.03362	1.0
136.07681	1.3
136.94002	1.3
141.00406	2.0
142.00005	2.4
143.02003	1.3
150.05632	4.9
161.04588	9.5
168.01546	1.3
168.91631	1.1
169.00050	5.4
169.99455	4.8
178.97743	1.0
184.00935	1.9
212.02357	1.4
224.96648	2.8
231.00116	1.0
251.11360	15.6
252.11693	1.1
303.79132	1.0
310.96729	1.8
311.08252	2.1
312.10828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1653
Annotation	Jatrophone
Peak:m/z	Relative Intensity
61.98823	0.6
67.01885	0.9
70.73459	1.1
71.01382	1.3
83.05026	2.1
85.06601	0.9
94.77238	0.6
97.02980	0.7
97.06596	1.1
107.05078	1.3
111.04518	3.4
116.59875	0.5
120.05803	0.7
125.24102	0.6
133.06650	0.8
157.06607	0.8
159.08170	1.0
159.69371	0.6
172.08852	0.7
175.11288	0.9
177.12811	0.6
185.06117	1.1
185.09924	0.5
186.06874	2.1
197.09686	0.7
199.07564	0.7
200.08435	4.1
201.09235	11.0
211.07614	0.7
213.09280	1.8
214.10211	0.6
215.10762	13.7
216.07951	0.7
216.11328	2.0
216.62343	0.6
230.13045	2.1
239.10823	1.7
241.12373	2.1
253.08748	1.1
253.12331	2.3
254.09344	0.8
255.13940	3.6
257.15466	12.8
258.15735	1.5
266.09491	1.9
267.10281	1.5
267.13812	1.2
267.17471	1.8
268.11145	1.6
269.15500	0.9
274.12125	1.5
278.13196	0.8
281.11853	13.7
282.12485	2.4
283.13699	0.9
283.16983	1.1
293.15500	2.0
295.13391	5.3
296.14188	8.6
297.11371	6.1
297.14496	1.0
311.16547	100.0
312.13608	8.5
312.16925	9.1
328.03293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01382	0.8
62.74156	0.4
70.05196	1.3
85.40306	0.5
121.02969	1.2
122.03739	0.6
136.05301	1.2
136.99171	0.5
167.14400	1.6
179.10266	0.5
193.16042	0.8
201.00249	0.4
201.09473	0.5
207.17546	1.2
215.10770	0.6
223.20741	2.4
249.18567	5.1
267.19666	100.0
268.19968	7.4
275.16534	7.1
276.16910	0.5
281.11823	1.0
293.17642	34.1
293.20929	1.6
294.17999	2.7
296.14084	1.6
311.19122	27.1
311.22275	4.4
312.18948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2019
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.13658	0.2
70.01360	0.2
70.01694	0.5
70.69527	0.2
84.72162	0.2
85.20836	0.2
96.96007	0.3
98.95608	1.1
98.96417	0.2
115.38285	0.2
133.06607	2.2
149.09727	100.0
150.08954	0.4
150.10072	4.6
165.57008	0.3
183.01218	6.6
184.01996	2.1
197.02762	0.4
205.58763	0.2
311.16855	14.8
311.20184	57.7
312.17148	1.2
312.20474	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.10091	1.3
55.96743	1.2
57.03450	8.2
59.01375	2.6
60.78605	1.1
64.71886	1.1
67.29922	1.1
69.11236	7.5
75.09371	1.4
84.90417	1.1
88.10646	1.2
97.34970	1.3
104.42516	1.2
112.94558	1.4
123.90730	1.4
139.11230	1.2
155.14442	13.3
158.32408	1.4
171.10287	3.4
178.62292	1.3
183.01221	3.0
197.02879	2.4
249.22243	37.3
250.22549	3.8
262.73508	1.2
267.23340	1.7
293.21271	20.9
294.21545	2.2
311.07639	3.0
311.17102	12.1
311.22305	100.0
312.22723	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03440	3.4
59.01373	4.5
60.17377	3.2
61.98826	12.1
70.60986	5.7
74.66351	3.2
82.45975	2.8
92.92809	3.5
93.06399	3.4
119.94692	6.2
121.10216	3.2
125.09696	5.3
127.11317	7.8
137.22443	3.5
139.11313	18.5
141.33730	3.8
152.91759	3.6
155.10742	4.4
168.91425	7.8
170.88414	6.6
171.10281	82.3
174.31047	3.5
183.10298	5.0
185.11873	18.3
201.11372	15.2
275.20139	5.9
293.21249	27.4
304.37021	3.2
311.16959	7.2
311.18225	4.6
311.22278	100.0
312.22629	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
54.16881	2.2
57.03458	2.1
57.90333	1.9
59.01407	2.8
59.52357	2.0
61.98848	4.2
65.48500	2.0
70.51792	2.2
70.52106	2.5
71.05053	2.5
83.10235	2.5
86.01463	2.0
100.70355	2.0
119.94722	4.8
121.10236	2.9
126.90400	2.6
127.11324	3.8
139.11313	14.3
143.98267	2.4
151.11244	2.7
155.10779	2.8
168.91475	3.5
170.88365	2.5
171.10280	53.8
172.10648	2.1
177.12885	2.5
177.63142	1.8
181.12445	3.1
183.01184	3.3
183.10254	3.8
185.11902	10.7
197.11823	4.8
201.11336	9.6
211.13455	5.9
223.20714	18.1
267.19711	8.7
274.81192	2.4
275.20044	3.3
275.35422	2.4
281.68320	2.1
293.21259	28.1
311.22299	100.0
312.22623	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60610	0.6
57.03445	1.1
59.01398	0.7
61.57225	0.6
61.95159	0.6
69.07851	4.1
98.22653	1.0
99.08147	0.8
108.57981	0.6
113.09763	0.9
115.07678	1.0
138.01958	0.7
139.11328	0.8
153.09174	0.8
158.04134	0.6
167.14439	4.3
171.10249	2.9
183.13934	3.2
195.13919	11.3
196.14253	0.7
211.13338	1.2
213.14972	1.3
225.63287	0.6
226.74615	0.6
232.24861	0.7
242.15227	1.1
249.22232	0.8
275.19986	0.8
293.21252	8.0
311.07434	2.2
311.22293	100.0
312.22656	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	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97207	0.2
51.00068	0.3
57.03436	0.7
59.01372	0.6
69.90866	0.9
74.66292	0.3
87.51807	0.2
97.06596	1.2
123.08168	1.2
125.06091	0.8
125.09737	4.4
127.11319	0.4
137.09756	0.3
139.11334	1.7
141.09235	2.0
141.12862	1.3
143.10786	0.7
153.09180	1.4
155.14418	1.9
157.12343	0.8
167.10774	1.2
169.12299	0.4
171.10262	1.9
181.15974	0.6
183.01285	0.3
183.13907	0.5
185.11844	0.6
199.09818	0.4
200.10545	2.9
215.72575	0.3
239.23906	0.8
249.22203	2.2
265.21780	1.0
267.23297	1.4
268.07172	0.3
275.20123	1.1
283.22778	0.5
293.21277	8.5
294.21506	0.7
311.07623	0.8
311.22305	100.0
312.22629	7.9
312.26331	0.5
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	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.08101	1.0
53.59016	1.0
57.03441	2.9
59.01375	2.2
66.00324	1.2
70.48339	1.8
72.44160	1.1
75.09377	1.0
83.05048	1.5
83.45696	0.9
92.57659	1.0
97.02991	1.2
97.06580	1.0
98.22000	1.3
113.09763	7.4
119.56138	1.2
121.10247	2.7
125.09742	1.9
127.11306	1.9
137.09720	2.4
139.11301	34.4
140.11697	1.1
143.83833	1.1
153.09203	1.8
155.10777	2.7
165.12872	1.2
167.10823	1.6
171.10281	46.0
172.10652	2.1
172.19849	1.0
185.11880	1.6
193.12296	1.5
195.13852	1.4
201.11377	2.1
210.48448	1.1
211.13414	5.1
249.22269	2.1
275.20053	1.8
293.21255	33.2
294.21692	2.6
311.22299	100.0
312.22794	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
58.00622	0.9
59.01370	1.4
59.32849	0.7
64.62664	0.7
70.59217	0.9
70.71323	1.1
83.05017	1.0
83.40280	0.7
99.08153	2.5
113.09736	3.3
121.10280	1.3
123.08139	1.4
125.09715	2.2
127.11316	3.6
129.09271	4.9
136.10783	0.8
137.09677	1.1
139.11304	7.7
151.11278	0.8
153.12770	0.9
155.10814	2.1
165.09251	1.6
167.10803	1.1
169.12350	1.2
171.10289	41.7
172.10643	1.5
181.12346	3.4
183.10269	2.8
183.13931	2.2
185.11850	7.2
193.12424	0.8
197.11836	7.6
198.02635	0.8
199.13567	3.5
201.11378	7.9
211.13412	13.3
235.51115	0.8
275.20181	4.1
293.21289	19.8
294.21790	1.9
298.76974	0.8
311.22311	100.0
312.22632	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.67623	1.1
57.03469	1.5
57.35772	1.2
57.42249	1.2
59.01364	1.9
75.10152	1.2
80.30241	1.3
95.01456	1.4
97.06601	8.8
102.95623	1.5
111.04501	1.3
114.71860	1.3
137.09679	2.3
147.53654	1.4
168.91379	2.2
171.10269	2.5
183.13921	7.5
195.13905	29.6
196.14279	1.9
200.08452	1.7
201.09227	3.3
211.13419	17.2
213.05640	1.5
213.09198	4.5
213.14948	17.5
215.10831	8.4
253.12242	4.1
255.13875	3.0
257.15463	5.2
263.20190	11.1
266.09421	5.8
267.17453	1.5
267.19751	12.7
268.10953	1.5
281.11859	13.2
281.21292	2.3
282.12317	1.9
293.17889	3.3
293.21112	13.4
295.13574	1.8
296.14227	5.0
311.07617	2.5
311.12933	1.6
311.16577	60.5
311.22244	100.0
312.13300	3.2
312.16873	5.5
312.22595	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	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56883	1.0
69.30759	4.9
71.01390	27.1
78.01126	2.5
89.00349	4.0
91.01920	2.1
98.22643	2.4
106.00639	5.5
113.23953	1.0
114.32377	1.0
115.00405	10.3
121.02968	65.8
122.03317	2.0
123.00905	4.4
125.89157	1.1
129.00645	1.0
133.01416	1.1
138.03252	8.2
153.05592	49.5
154.05891	1.9
182.02248	7.9
197.04573	100.0
198.04924	2.2
268.90433	1.1
270.34320	1.3
278.51132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80449	0.8
59.01387	5.2
59.13176	0.9
63.72900	0.7
69.48787	2.6
71.01381	23.7
78.01102	1.9
83.01333	0.8
85.02960	2.7
89.00329	2.8
89.02450	4.0
91.01889	0.9
93.85796	0.7
95.43295	0.7
98.21913	0.9
101.02472	1.7
106.00641	4.4
113.02476	1.2
115.00382	10.5
119.03492	1.2
121.02962	50.1
122.03310	1.6
123.00860	3.4
138.03224	6.8
151.06166	1.7
153.05588	32.8
153.50883	0.7
154.05949	1.8
166.99911	1.4
176.14091	0.7
182.02243	6.6
189.58807	0.8
197.04555	100.0
198.04877	5.2
252.31468	0.8
283.02371	1.1
288.24319	0.8
298.04767	1.1
313.11273	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	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01156	1.0
69.19951	4.7
69.20358	1.6
71.01385	22.0
78.01140	1.9
89.00346	3.8
91.01904	1.7
98.21885	2.1
106.00599	4.2
107.05064	1.5
115.00375	10.3
116.40434	1.1
121.02966	59.0
123.00887	3.6
123.04554	1.4
123.08185	1.6
128.03625	1.1
138.03217	5.6
151.04034	1.2
153.05585	36.0
154.05901	1.2
155.56567	1.0
158.91269	1.2
166.99837	1.5
182.02191	5.5
183.99294	6.4
187.43916	1.1
197.04565	100.0
197.12901	2.2
198.04874	5.6
198.97981	1.7
215.14006	4.4
226.00310	9.3
283.02499	3.3
298.04657	1.5
313.03873	1.3
313.10776	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69392	0.7
77.03987	0.3
82.56345	0.2
120.02180	0.2
121.02965	100.0
122.03300	3.3
136.98872	0.2
164.98311	0.3
171.10286	0.3
172.10689	0.3
180.05782	1.0
181.06601	4.3
182.06937	0.4
199.07677	0.2
225.03391	0.4
225.05589	6.6
226.05949	0.3
262.30396	0.2
269.08243	0.3
271.13284	0.4
283.02499	1.2
298.04849	0.7
299.12906	1.3
312.22638	0.5
313.07190	13.5
313.23068	0.3
314.07629	1.2
314.15182	1.1
339.11716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02385	1.4
55.54768	1.2
56.91060	1.5
59.01366	2.0
61.98809	1.7
65.00331	5.9
66.95406	1.3
68.66209	1.4
71.39307	1.4
87.67109	1.3
91.71894	1.2
92.99849	2.1
96.99345	1.3
106.69747	1.5
121.02943	8.9
124.01668	1.7
136.98846	14.1
137.56073	1.4
143.55571	1.3
152.01128	2.9
164.98279	31.9
180.00670	4.8
183.04514	5.8
185.02446	4.4
191.39549	1.4
199.03868	1.4
211.03987	2.2
217.37569	1.3
235.69037	1.5
252.69118	1.3
254.85672	2.3
255.03023	20.0
269.04544	4.1
281.04324	1.5
283.02490	100.0
284.02963	7.7
297.04034	4.0
298.04825	48.6
299.05249	4.3
313.07172	85.1
314.07477	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30710	0.8
65.00328	2.8
66.23451	0.8
69.82768	3.3
72.40749	0.8
84.78058	0.9
96.70182	0.9
117.03493	1.2
121.03003	2.5
132.02158	0.9
136.98816	5.8
143.04970	0.8
152.01123	1.3
164.98326	8.5
180.00676	2.1
183.04517	2.5
185.02493	1.3
203.26230	0.9
211.04132	1.1
255.03000	82.1
256.03302	5.7
269.04608	1.3
270.05280	6.5
283.02509	59.0
284.02820	5.1
297.04010	2.4
298.04843	100.0
299.05197	7.2
299.12891	3.9
310.10965	0.9
313.07187	78.0
313.17529	5.5
313.23450	2.0
314.07635	5.6
314.15240	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47691	0.8
57.03442	0.8
59.01380	2.8
60.83721	0.9
67.01901	1.1
69.63177	1.7
69.63565	1.8
71.01389	10.1
73.02961	3.7
80.59518	0.7
80.96519	1.3
81.03472	1.8
85.02945	2.2
95.01403	1.4
99.04548	0.9
106.00601	1.1
107.01414	3.4
107.05048	6.5
108.02184	53.6
109.02448	1.4
109.03101	0.9
111.00893	2.5
115.00378	3.2
115.92092	1.9
121.02965	16.7
123.00891	2.4
123.04538	32.6
124.01662	1.4
125.02460	1.2
127.07647	1.8
136.98767	1.4
138.03207	1.7
139.00385	1.5
145.05067	2.1
150.03328	1.1
151.04001	2.4
152.01170	28.1
153.05577	12.8
164.98323	1.6
167.03511	100.0
168.03854	3.5
173.08237	2.4
178.99789	0.8
181.12355	0.8
182.02202	2.8
197.04564	33.4
198.04909	2.0
241.56822	0.8
259.09863	0.8
269.10266	1.2
283.02505	5.4
298.04910	3.2
313.06973	3.4
313.09460	5.8
313.13126	2.1
314.12451	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48011	1.3
52.36551	1.1
52.89669	1.2
56.62223	1.1
59.01393	2.1
67.54742	1.1
68.52557	1.3
71.01387	29.8
73.02952	2.8
74.55123	1.3
89.38566	1.4
91.40836	1.4
108.85288	1.2
115.00385	17.4
126.76461	1.6
135.08124	4.1
137.08507	1.5
153.09235	100.0
154.09552	4.1
164.32675	1.7
197.08215	83.6
198.08434	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01381	8.2
65.00334	1.5
65.21885	1.1
65.73402	1.3
69.03452	3.8
69.42226	5.0
69.47073	1.2
71.01389	34.2
71.05031	2.5
73.02964	2.5
80.99776	1.3
84.22065	1.1
85.02975	2.2
98.21931	1.8
111.04465	1.8
113.02461	3.0
115.00377	24.1
121.02996	2.2
130.32150	1.2
133.01414	6.9
133.02994	1.3
135.08186	2.1
136.98802	1.7
139.11261	2.8
153.09222	100.0
153.12816	2.3
154.09581	3.8
161.02499	1.9
164.98294	1.8
183.10268	15.3
186.08784	1.1
194.90697	1.3
197.04539	2.3
197.08211	41.5
197.11842	7.3
198.08574	2.2
203.60310	1.1
225.02364	1.3
251.82462	1.2
283.02591	7.9
298.04861	4.1
313.03787	2.1
313.06992	6.6
313.16577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58792	1.3
59.01389	1.8
65.02516	1.3
69.89764	3.0
71.01392	37.7
72.21916	1.2
73.02962	3.7
75.50952	1.3
80.92665	1.4
85.02987	1.8
89.79128	1.2
98.21899	1.2
113.02479	1.7
115.00378	20.0
135.08134	1.5
153.09230	100.0
154.09572	2.7
169.69502	1.3
173.66090	1.5
181.40862	1.2
197.08205	80.8
198.08569	2.8
313.07047	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	313.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12983	0.7
53.89721	0.7
56.86637	0.7
59.01389	0.7
69.23269	3.5
71.01389	50.8
83.64972	0.7
107.08644	3.1
115.00384	13.6
136.98793	1.1
189.12849	1.0
197.11852	100.0
198.12202	5.3
219.53522	0.8
225.02136	1.3
227.10533	0.8
255.03113	1.0
268.03650	0.8
269.13947	0.9
283.02557	5.0
298.04907	2.3
313.07291	3.7
313.13104	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	313.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33533	0.6
58.02974	3.1
59.01369	2.1
63.00122	0.7
64.61752	0.7
66.92570	0.7
67.03050	0.7
69.03469	1.3
71.01389	2.5
72.99307	0.7
73.02956	1.3
74.02479	1.2
77.45197	0.6
82.02985	1.4
83.06120	0.9
84.04557	8.1
85.02985	0.7
87.00880	0.9
95.05048	1.5
97.02953	0.9
101.07226	4.5
105.07121	1.2
109.02967	4.1
109.04079	7.5
121.02944	2.5
121.06623	3.0
123.04548	1.2
123.08176	48.8
124.08520	1.9
125.03631	1.4
125.07207	0.6
127.05150	32.2
128.03555	14.7
136.98793	0.8
140.10831	12.7
145.06206	55.5
146.06535	1.0
147.28053	0.6
151.04076	0.6
153.05595	1.9
164.98340	1.0
167.07162	9.7
168.10324	2.7
171.13281	0.7
177.05638	0.7
179.70799	0.7
181.12340	1.3
184.09819	0.7
185.08276	3.2
195.31532	0.7
197.04578	5.1
197.06099	0.7
197.08162	1.2
207.10150	0.7
207.15094	5.5
209.99947	0.7
211.04146	0.8
213.60548	0.7
225.02293	1.1
225.05830	1.0
251.13962	0.9
255.02980	1.2
269.15021	2.2
283.02560	4.7
295.13019	16.6
296.13376	0.9
298.04874	3.1
313.14081	100.0
314.14331	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	313.1449
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
51.54177	0.3
57.05282	0.3
65.00327	0.5
72.00938	0.3
73.34312	0.3
95.05038	0.3
98.00696	0.3
98.22604	1.1
104.02682	0.7
108.35643	0.3
118.04280	0.7
130.04231	0.3
132.02187	1.2
133.03062	0.3
136.98854	0.5
145.02988	1.5
148.01711	0.4
152.01234	0.4
157.06645	0.5
161.02444	1.8
162.03294	1.5
164.98335	0.9
171.08263	0.3
172.08995	0.6
176.01093	0.3
181.06596	0.5
185.06065	2.3
188.08537	0.5
189.01938	4.0
190.02721	3.8
197.06105	0.4
198.06898	1.6
199.07668	32.0
200.08119	2.3
201.02014	0.7
203.03532	4.2
204.03767	0.4
211.04128	0.6
213.05647	0.3
215.03531	0.4
216.07755	0.4
222.01694	0.7
225.05602	4.9
226.06294	1.6
227.07141	6.2
228.07660	0.4
229.05086	11.3
230.05731	1.3
243.06633	32.9
244.07359	10.7
255.03032	0.8
283.02521	4.0
284.02786	0.4
298.04874	2.2
313.07065	3.5
313.14481	100.0
313.23721	2.0
314.07422	0.4
314.14841	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	313.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15172	0.3
69.17306	1.9
88.00826	0.3
89.03983	0.3
92.37416	0.3
93.03477	0.6
98.22617	0.7
106.04256	1.3
107.05015	1.0
111.00874	0.6
117.03454	0.9
121.02972	1.1
133.01939	0.3
133.02972	10.6
134.03764	26.1
134.36111	0.3
135.04541	100.0
136.04875	4.0
137.02455	6.9
139.04034	1.9
150.03244	0.7
161.02510	1.4
164.98317	0.8
178.02663	1.8
179.03514	82.2
180.03889	3.0
204.20216	0.3
255.03209	0.5
283.02524	1.6
298.04852	0.7
313.07233	1.3
313.14505	9.9
313.18106	0.9
313.23895	1.2
314.14960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
70.91891	0.6
76.59757	0.4
93.03477	1.8
93.07088	0.6
119.05061	0.5
119.08682	1.2
121.06593	0.7
121.10250	8.9
122.10600	0.5
126.90451	0.4
129.07091	0.5
134.03778	0.5
135.04570	0.7
139.11385	0.8
147.08167	1.3
147.53163	0.3
148.01320	0.3
161.09706	0.6
164.98288	1.0
175.07407	1.6
175.11269	0.4
179.03551	0.4
179.10593	0.8
189.08975	0.7
191.06912	1.0
207.10051	7.8
208.10449	0.5
209.07985	1.3
216.15080	0.3
217.15927	2.2
227.18079	3.1
233.11563	0.8
243.17508	1.9
244.18506	0.4
245.19112	24.0
246.19437	1.8
255.03024	1.0
270.12360	0.6
271.16995	0.5
273.25928	0.4
283.02454	4.1
283.13092	0.5
293.15201	1.2
295.16791	2.4
298.04904	2.2
298.15512	1.3
311.16452	2.2
313.07623	2.3
313.17880	100.0
314.07654	0.6
314.18192	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	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03454	7.3
58.18937	0.6
59.01398	1.0
59.12939	0.6
61.98836	3.0
68.38541	0.5
69.14229	1.5
69.14638	2.4
71.05033	4.3
73.02945	2.6
75.95347	0.6
81.03443	1.1
83.05038	4.3
84.02177	1.3
85.06595	3.8
91.02225	0.6
95.05032	1.3
98.21975	2.0
98.22668	1.0
101.02451	0.6
111.04509	2.3
112.05324	0.9
112.43710	0.6
113.06094	0.9
113.72665	0.7
116.06685	0.6
121.02919	0.8
121.94417	0.8
136.77124	0.6
163.67030	0.7
164.98300	1.2
170.88437	1.5
181.15977	3.5
183.17551	18.3
184.17941	1.2
197.19130	3.3
197.90297	1.0
209.19147	1.5
211.20708	5.0
233.22774	6.4
249.22256	3.2
251.23808	11.1
252.24211	1.4
254.85597	0.9
255.02798	0.8
255.86057	0.8
267.23297	2.9
269.24945	3.3
277.21762	1.2
283.02505	3.3
295.22809	7.3
298.04807	2.7
313.07159	2.9
313.23871	100.0
314.24173	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	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.98762	1.0
51.56457	1.0
55.37479	1.0
57.03428	1.8
58.00603	2.1
59.01375	1.8
61.98835	1.2
74.02491	1.5
87.05643	4.0
99.08172	3.8
104.30494	0.9
117.03561	1.0
125.09727	4.0
127.11295	7.8
129.09216	1.8
136.98790	3.2
137.09708	1.8
155.10753	2.5
161.02437	1.3
164.98299	4.3
165.09189	2.7
170.88280	1.2
171.10268	10.1
183.10287	1.2
183.13985	5.1
199.09750	2.1
201.11343	43.2
202.11710	1.9
211.03992	1.4
254.86107	1.2
255.03076	3.7
277.21671	6.6
283.02499	19.2
284.02628	1.9
295.22775	9.0
298.04868	11.9
299.05347	1.3
299.13028	2.3
313.07117	14.6
313.17899	2.4
313.23886	100.0
314.07520	1.6
314.24298	8.3
337.82343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.70607	0.6
57.03454	5.4
59.01384	5.5
60.92761	0.7
70.84072	1.3
71.01385	1.6
72.99328	0.9
73.02953	0.9
73.61208	0.6
74.99374	2.5
78.95885	0.6
81.02010	0.8
83.01390	1.1
85.02964	4.1
100.78445	0.6
101.02448	34.7
108.02207	3.9
109.02968	3.9
114.44230	0.6
115.02515	6.2
117.00470	1.5
123.04517	1.5
124.01645	0.8
124.02528	0.8
127.05135	1.4
128.07205	1.5
129.99971	1.5
130.08752	18.4
131.08235	1.1
139.02618	0.9
139.04021	1.7
141.00468	8.9
145.06241	4.7
151.42178	0.6
152.01151	2.7
153.01947	4.3
153.05568	2.5
157.03574	19.8
158.03726	1.1
159.01529	1.5
168.99878	0.7
170.03111	2.9
170.06764	1.7
170.97856	1.2
171.01520	0.8
171.98097	0.9
172.04668	2.6
183.01495	56.6
184.01703	4.2
186.06238	1.9
200.07762	0.8
208.08299	1.8
210.02898	1.3
210.09978	1.5
217.84845	0.7
226.09346	14.2
227.09554	1.3
228.10913	16.6
229.11249	1.2
238.06772	1.6
254.08868	100.0
255.09138	10.0
272.02853	1.5
314.07874	0.6
314.11020	11.0
315.07230	4.5
315.11136	1.6
332.55347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87267	0.2
56.20470	0.2
66.87887	0.3
69.57739	0.9
69.76661	0.2
79.79306	0.2
79.79803	0.3
90.41942	0.3
104.77135	0.3
107.04980	0.4
122.03709	0.3
134.03792	1.5
135.04482	0.7
137.06064	0.3
148.05220	0.4
149.06013	0.4
152.32999	0.3
161.06032	0.6
162.06841	0.7
163.04086	1.4
163.07671	4.7
171.04466	0.4
172.05179	0.4
173.02344	0.7
174.03201	0.7
175.03943	0.6
175.07692	0.3
185.05949	0.5
188.04681	0.4
189.03989	0.5
189.05577	7.3
189.09145	0.4
190.05959	0.4
200.08453	2.2
201.09087	0.6
203.07188	2.2
204.07922	4.3
205.08192	0.3
215.10786	0.5
217.08696	3.0
218.09483	3.8
233.11801	1.7
240.07889	0.3
241.08725	0.4
252.07860	0.7
253.12404	0.6
255.06660	0.3
255.10349	1.3
255.13899	2.1
256.10959	0.6
257.11829	0.7
258.15869	0.5
266.09409	0.6
268.14963	0.3
270.09030	2.1
271.13431	2.4
281.11844	1.5
283.09778	9.6
284.10385	1.5
286.15778	0.6
297.11130	0.4
299.12900	100.0
300.13254	7.9
313.14587	0.3
314.15259	33.7
315.15591	3.3
315.19617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08768	1.3
55.11051	1.4
57.49829	1.8
58.24802	1.5
59.01383	12.6
71.01392	6.7
73.57433	1.5
74.99101	54.0
76.88545	1.6
85.02973	3.6
87.00891	2.3
89.02450	3.8
96.04576	1.6
97.06629	1.7
101.02438	2.4
108.02187	2.7
114.05580	2.0
117.97321	3.0
118.98098	100.0
121.02939	2.4
123.04518	7.6
128.03574	5.1
130.08760	4.3
135.04512	7.1
136.99173	30.5
143.11894	4.4
147.03000	1.6
153.00192	2.4
153.05571	5.1
155.36490	1.7
163.75967	1.5
167.03502	18.0
177.05605	1.8
179.03465	2.2
186.11432	4.3
187.11778	3.8
197.04529	3.4
223.56863	1.8
235.04437	3.2
253.12662	2.3
269.11594	2.2
271.13730	2.1
297.10886	1.8
315.00586	1.6
315.12405	7.6
315.15701	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.43798	0.5
53.26574	0.5
57.45467	0.5
59.01383	1.0
69.51129	1.0
69.51522	1.3
71.01378	2.7
73.02938	0.6
77.18176	0.4
81.03437	0.6
85.02940	1.1
93.03459	0.7
101.02450	1.2
108.02180	100.0
109.02985	31.5
109.04063	0.6
110.03286	0.8
113.02416	0.6
121.02975	1.5
122.03636	0.5
123.04521	1.9
135.00977	0.8
136.24815	0.6
151.04024	1.9
152.01161	60.8
153.01958	29.1
153.05571	1.7
154.02373	0.7
163.04045	1.1
165.01932	2.3
225.04059	0.7
315.07236	89.6
316.07480	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.92727	0.8
59.01365	1.3
63.64587	0.8
71.01373	2.4
75.24293	0.9
77.44991	0.8
81.03477	1.1
85.02972	1.4
101.02415	1.0
108.02182	100.0
109.02970	72.0
109.03572	0.9
110.03275	2.5
113.02468	1.4
121.02923	0.9
123.04527	2.8
144.81844	0.8
150.17523	0.9
151.04015	1.7
152.01163	71.8
153.01953	54.5
153.05600	1.8
154.02272	1.7
156.51872	0.8
163.04025	1.0
165.01949	1.9
195.03123	1.4
199.42953	1.1
289.64429	0.9
315.07239	89.3
316.07672	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	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39884	0.4
55.01883	0.5
59.01379	0.7
71.01389	4.9
75.00883	1.2
78.01101	2.1
78.81267	0.4
83.01396	0.6
89.00337	3.8
89.02483	0.6
91.01904	1.7
91.16071	0.4
99.04533	1.2
106.00607	4.4
111.00903	1.0
113.89488	0.4
115.00392	1.7
117.01932	0.9
121.02965	63.8
122.03265	2.0
123.00883	2.4
125.09756	0.5
127.00378	1.1
129.43405	0.4
130.08749	0.8
135.03018	5.4
136.98782	0.7
137.09695	0.7
138.03224	6.0
139.00397	0.4
153.05585	43.8
154.01495	0.9
154.05933	1.7
155.07135	0.8
155.10765	0.6
166.99907	0.8
181.08720	0.5
182.02242	1.7
197.04556	100.0
198.04884	3.6
199.02469	0.7
199.09782	5.5
208.41087	0.4
243.27876	0.4
256.91989	0.5
315.07233	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	315.1089
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03448	0.9
57.21027	0.6
59.01384	40.9
69.13491	3.9
71.01385	17.9
73.02956	0.9
83.01383	0.8
85.02951	3.5
87.00894	1.0
89.02454	18.5
95.01402	1.7
95.05044	0.8
98.21968	1.3
101.02452	10.6
103.09256	0.6
107.46540	0.6
109.02977	0.9
113.02472	6.3
118.98070	0.6
119.03510	8.5
122.03800	1.0
123.04537	70.8
124.01696	1.0
124.04853	2.2
135.04539	31.5
136.04971	0.8
139.04028	2.3
143.03568	0.8
152.05946	0.6
153.05586	100.0
154.05904	3.2
161.04561	1.0
167.03548	0.6
179.05560	1.2
246.93289	0.6
313.52887	0.7
315.10870	33.3
316.11026	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Taxicatin
Peak:m/z	Relative Intensity
58.42464	0.4
59.01377	2.0
60.35337	0.3
63.24025	0.3
70.52950	0.8
71.01382	1.2
74.99084	0.5
75.72885	0.3
89.02446	0.8
95.05014	0.4
101.02431	0.9
119.03487	0.4
122.03765	0.8
123.04536	70.4
124.04848	2.0
135.04546	1.4
139.04027	0.4
140.08687	0.4
153.05588	100.0
154.05936	3.3
227.63301	0.3
235.04066	0.4
315.10889	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	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56204	0.7
59.41727	0.5
70.24324	1.4
71.01025	1.0
71.01386	13.9
73.02943	1.0
100.89086	0.6
115.00376	12.9
133.01447	1.8
137.09731	5.1
155.10789	100.0
156.11089	4.7
156.65450	0.6
181.08760	0.9
186.46007	0.6
194.38463	0.6
198.86766	0.6
199.09767	63.8
200.10117	3.7
315.11069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68604	0.7
57.03450	3.4
58.09860	0.7
59.01368	1.3
65.01228	0.7
71.01379	0.9
74.02484	3.1
79.95808	0.8
82.02998	1.7
84.04559	11.0
95.49918	0.7
97.06604	13.3
101.07212	2.4
109.04068	7.7
123.08165	6.5
125.03583	1.7
125.09740	78.1
126.10046	2.1
127.05146	34.8
128.03551	13.3
128.05511	1.4
137.66309	0.6
142.12378	4.8
145.06206	54.6
146.06558	0.9
169.08751	1.8
171.08217	1.1
186.11452	1.0
187.09793	4.1
206.83702	0.7
209.16679	1.2
213.48683	0.7
215.71436	0.8
227.07326	0.9
231.95970	0.7
233.53833	0.8
235.04410	2.3
253.15564	1.3
271.16705	3.1
297.14597	13.8
298.12683	0.9
315.00131	1.8
315.15634	100.0
316.15903	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	315.1966
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.52990	0.1
55.60393	0.1
71.01403	0.2
73.42064	0.1
73.97334	0.1
82.95038	0.1
83.75913	0.1
201.09270	0.5
213.09337	0.4
214.09964	1.2
215.10522	0.2
227.10797	3.8
228.11273	0.1
257.11795	0.2
269.16000	0.2
273.80856	0.1
283.17047	5.9
284.17313	0.4
285.15079	0.4
297.18652	0.3
299.16452	0.6
315.19656	100.0
316.19998	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	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26825	0.7
59.01372	0.9
69.03468	1.6
69.33137	1.6
69.33540	2.7
70.36102	0.8
71.01387	20.5
71.83376	0.7
74.02484	1.3
80.69696	0.7
87.04532	1.0
89.20586	0.9
93.10715	0.8
99.04533	1.2
100.21879	0.8
107.08652	1.0
115.00387	10.4
155.10779	1.5
183.10272	30.0
184.10623	1.5
197.37233	0.8
201.11331	100.0
202.11661	5.0
204.21594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
65.69183	0.3
69.26946	0.5
69.27351	1.0
71.01389	10.5
71.05032	2.6
78.97201	0.3
97.06588	4.6
110.90089	0.3
115.00388	9.5
115.01162	0.6
119.48698	0.3
123.08185	3.5
131.27432	0.3
133.01485	0.6
137.09708	1.1
139.11304	47.7
140.11678	1.7
157.11101	0.4
157.12321	2.5
158.12621	0.3
176.85417	0.3
183.10278	0.8
185.11858	1.0
187.12538	0.5
201.11339	100.0
202.11670	4.6
222.89156	0.3
259.57492	0.3
263.16177	0.3
265.31750	0.3
317.12622	0.7
317.16797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
55.31917	1.1
57.03441	1.4
59.01389	13.6
62.48840	1.1
68.15634	1.1
71.01390	17.2
72.99304	4.9
73.02952	100.0
73.09188	1.0
79.95726	1.3
83.01392	15.0
83.02448	1.0
85.02968	3.2
87.00890	1.9
89.02493	1.3
99.00895	10.2
99.04501	1.4
101.02453	73.2
113.02460	1.7
113.06111	1.3
115.00419	1.8
125.09766	11.5
127.00387	11.4
127.11337	1.8
135.04498	2.1
137.13467	1.1
145.01442	59.9
146.01874	1.3
148.04066	3.5
157.12323	2.3
159.04475	1.0
171.10286	36.8
175.04222	1.2
179.03493	4.1
183.10275	4.6
185.11745	1.9
201.11317	16.1
220.55330	1.0
229.05327	1.1
229.08545	1.2
235.11800	2.6
245.97079	1.1
317.06888	2.5
317.11996	3.4
317.16116	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	317.1395
Annotation	Zearalenone
Peak:m/z	Relative Intensity
55.14157	0.1
59.01383	0.3
64.13036	0.2
67.01892	0.7
69.35603	0.5
69.35993	0.4
71.01393	0.2
71.97890	0.2
81.03470	0.5
83.05037	0.3
85.06591	2.2
86.90612	0.2
87.04545	0.2
93.03424	0.2
95.05042	2.1
97.02935	0.2
97.06597	3.3
105.03439	0.6
107.05045	1.0
109.02913	0.3
109.06584	0.3
111.04492	0.2
119.05075	0.2
121.02981	0.3
121.06595	0.3
122.03726	0.2
123.04533	1.3
123.08159	0.8
125.06133	0.3
133.02969	0.6
133.06529	0.2
135.04492	0.9
135.08110	0.2
137.06082	0.8
137.09798	0.3
138.03224	0.6
139.04041	1.1
147.08182	0.3
149.06093	0.5
149.09743	0.2
151.03979	0.3
151.07635	0.7
151.11253	0.6
153.05524	0.4
157.06644	0.3
158.03745	0.2
158.07381	0.2
159.04521	0.4
159.08127	0.3
161.02371	0.3
162.81715	0.2
165.05580	1.3
165.09245	0.5
172.05254	0.2
173.06094	0.8
175.04089	0.2
175.07657	1.0
177.05591	0.7
177.09229	0.6
178.06339	0.4
179.10783	0.6
180.07918	1.0
183.08229	0.3
185.06104	0.4
187.04092	0.3
188.04817	0.8
189.05560	0.3
189.09218	0.4
191.07155	0.5
191.10948	0.2
193.08716	1.1
195.10237	1.2
200.04765	0.2
201.05554	1.0
201.09302	0.4
202.06319	0.7
203.07140	2.8
204.07863	0.4
211.07521	0.3
213.05646	0.3
217.08725	0.4
218.09486	3.8
219.04765	0.2
219.06635	0.8
220.07379	0.5
221.08176	0.4
223.09821	0.3
225.09203	1.0
226.06435	0.2
228.07701	0.2
231.06674	0.2
231.10307	0.3
235.09801	1.2
239.07172	0.5
239.10852	0.3
240.07835	0.4
240.11568	1.0
241.08650	1.4
243.10233	0.4
251.07121	0.6
254.09509	1.0
255.10236	1.0
255.13896	0.3
256.10983	0.7
257.08142	0.2
259.09769	0.9
265.08691	0.2
266.09525	0.8
269.08209	9.3
269.11771	1.7
270.08600	0.6
270.12622	0.8
271.13419	2.0
273.14944	0.4
274.12234	0.5
279.04034	0.2
281.11893	0.6
282.08813	0.4
283.09818	0.8
284.10568	13.2
285.10938	1.3
287.09277	9.7
287.12393	0.3
288.09659	0.6
299.12894	9.8
300.13199	0.8
302.11612	4.3
303.12006	0.3
303.47284	0.2
315.12451	0.4
317.13950	100.0
318.14291	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01383	5.5
63.53372	0.9
65.70256	0.8
69.15553	6.2
71.01387	16.2
71.05030	5.7
83.04996	1.8
89.02428	1.3
89.95213	1.2
91.03994	2.9
97.02973	5.7
97.06591	3.4
99.00890	33.6
100.01162	1.1
106.04295	1.1
109.02947	1.0
109.06578	2.3
110.03782	2.8
115.00345	1.4
123.08186	1.2
125.09740	9.8
127.11317	1.3
128.03593	1.7
135.08205	1.3
143.04665	3.1
153.12856	2.0
155.14456	1.8
160.24088	1.2
163.11307	14.2
181.12361	51.4
182.12668	2.5
197.11801	1.8
199.13411	36.3
200.13800	2.2
201.11380	1.7
207.10283	51.1
208.10541	2.6
225.11334	87.7
226.11688	4.6
243.12381	100.0
244.12764	5.9
254.07687	1.3
272.08957	2.3
317.16061	74.0
318.16376	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	317.1761
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
55.01870	0.5
57.03456	15.1
59.01383	1.3
64.56268	0.6
65.03976	1.6
67.01897	3.0
69.03461	3.8
69.42167	2.3
80.02676	0.5
83.05047	3.3
85.02925	0.6
85.06606	0.9
95.05032	0.9
97.06590	3.9
98.22589	1.2
107.05030	0.6
108.02200	0.6
109.02927	0.7
121.06601	0.9
122.03690	0.6
123.04555	0.9
123.08186	2.3
135.04518	1.2
135.08220	1.2
137.06114	2.6
139.07661	1.4
148.05365	0.8
149.06111	3.0
151.07654	5.1
152.07924	0.5
161.06117	2.1
162.06902	0.8
163.07651	2.2
165.09277	1.6
173.06105	0.5
173.35828	0.6
175.07651	1.0
175.11296	0.9
176.08365	0.8
177.09212	0.7
178.06294	0.8
178.09975	0.8
179.07082	0.5
179.10811	2.1
187.07640	0.9
188.08388	1.1
189.09178	2.6
190.06427	0.7
191.07182	0.7
191.10768	1.4
193.08620	2.7
197.04541	1.1
201.05664	0.7
201.09212	1.9
202.09895	0.6
203.07210	1.5
203.10774	3.1
203.14337	0.7
204.07878	1.1
205.12331	1.3
207.13940	1.2
213.09238	0.8
214.06471	1.1
214.10060	0.5
215.07130	2.6
215.14427	0.8
216.08000	0.7
217.08701	6.5
217.12358	1.6
218.09460	5.9
219.10342	4.4
219.13797	0.9
221.11681	0.6
226.09976	3.1
227.10783	1.3
229.08737	14.7
229.12239	4.0
230.09442	8.9
231.10223	6.5
232.11079	12.5
233.11816	3.4
235.13417	0.9
241.12337	4.6
242.09564	1.2
243.10332	1.6
244.11064	28.2
245.11833	52.1
246.09860	0.9
246.12483	10.6
247.13416	90.5
248.13766	6.2
258.08939	0.9
258.12653	3.4
259.13400	59.2
260.13794	3.9
261.14972	15.9
262.15405	1.2
269.11874	1.3
272.10718	1.0
273.11475	1.2
273.15027	2.1
273.18701	0.8
274.15768	4.0
281.15494	0.8
284.14255	1.7
287.12894	11.2
288.13696	35.1
289.14059	2.6
289.18088	1.1
299.16586	6.8
302.15259	84.1
303.15582	8.1
317.17578	100.0
318.17905	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	317.1759
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
54.90905	0.7
57.03455	15.2
59.01373	0.8
65.03957	1.9
67.01895	3.5
69.03466	4.8
69.41963	1.4
69.42381	2.2
83.05038	2.8
85.06582	1.4
95.05020	1.5
97.06591	3.2
98.22750	1.3
99.04578	1.0
109.02923	1.0
109.54948	0.8
122.67013	0.7
123.08173	3.4
133.06523	0.9
135.08183	1.1
137.06075	3.1
139.07666	1.1
140.07739	0.7
149.06078	2.5
149.09763	1.0
151.07671	8.3
151.11276	1.0
155.70334	0.8
159.08163	1.0
161.06081	2.1
162.06892	1.1
163.07640	2.2
165.09232	1.7
175.07672	0.9
175.11313	0.9
177.09241	1.9
179.10802	1.9
188.08389	0.8
189.09203	2.3
191.07083	1.0
191.10779	1.5
193.08739	1.7
201.09296	0.9
203.07101	0.9
203.10696	3.4
204.07947	1.4
205.12190	0.9
207.13945	1.5
211.07607	1.1
215.07127	1.9
215.14478	0.8
217.08694	6.2
217.12288	2.0
218.09550	4.7
219.10287	5.5
219.13913	0.8
220.10802	0.8
226.10124	3.8
229.08699	13.6
229.12167	3.7
230.09491	7.8
231.10248	5.7
232.11061	12.7
233.11829	3.5
240.11447	0.9
241.12366	3.5
242.09570	0.8
243.10272	1.7
244.11060	23.9
245.11836	42.9
246.12511	8.6
247.13402	75.7
248.13762	7.4
258.12708	5.2
259.13400	48.4
260.13770	4.1
261.14978	23.8
261.17062	0.6
262.15326	2.2
269.11880	1.2
273.11478	1.0
273.14954	3.5
273.17932	1.1
274.15784	2.3
284.14151	1.5
287.12952	10.9
288.13690	37.6
289.14072	3.2
289.17969	1.2
299.16541	4.7
302.15253	72.9
303.15549	5.9
317.17587	100.0
318.18030	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	317.176
Annotation	[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
Peak:m/z	Relative Intensity
52.78241	0.6
57.03449	9.8
59.01375	1.3
67.01895	1.7
69.03452	1.4
70.24349	1.2
77.58651	0.6
83.05041	5.2
85.06588	2.4
93.03476	0.6
95.05066	0.8
97.06584	9.2
107.05029	0.6
109.02938	1.2
109.06561	0.8
121.06573	0.7
122.03836	0.7
123.04517	1.8
123.08179	2.3
135.04536	1.5
135.08138	2.3
137.06078	1.8
137.09735	1.0
139.07681	1.2
145.06505	0.7
147.08160	1.5
149.06116	4.4
149.09727	1.4
151.07634	1.6
157.06592	1.0
161.06094	2.0
162.06824	0.9
163.07652	2.0
165.09177	1.0
171.08093	1.0
173.06090	1.1
174.06889	1.1
175.07607	1.4
175.11310	1.0
177.05550	0.8
177.09218	2.6
178.06401	1.6
179.10817	1.1
185.09761	0.7
187.07602	0.9
188.04791	0.8
188.08360	0.9
189.09178	2.1
190.06332	4.7
191.07005	1.3
193.05087	1.1
193.08694	9.4
199.07573	1.2
199.11322	0.9
201.09280	5.7
201.11140	1.2
201.15010	1.7
202.06195	0.9
202.09877	1.0
203.07100	0.8
203.10735	3.4
203.14371	0.7
204.07909	2.9
205.12308	0.8
213.09224	1.5
214.09862	1.3
215.07117	1.7
215.10754	0.8
217.08707	6.2
217.12386	1.7
217.58751	0.6
218.09448	3.7
219.10268	9.7
219.13733	0.8
220.10825	1.5
221.11996	0.7
226.10014	0.9
227.10710	1.3
229.08710	11.6
229.12202	4.1
230.09425	4.5
231.10257	5.4
232.11008	7.5
233.11711	2.1
241.12408	2.8
242.09511	1.0
243.10146	1.5
244.11055	17.3
245.11824	28.6
246.12514	7.5
247.13399	51.3
248.13860	3.5
251.10698	1.5
255.10141	0.7
255.13957	1.6
257.11752	0.7
257.15540	0.9
259.13406	34.7
260.13818	2.9
261.14954	11.3
262.15247	0.8
266.13058	2.0
267.10214	1.9
269.11832	12.4
270.12326	1.3
272.10550	0.9
273.11383	0.8
273.14810	0.7
273.18765	0.8
274.15680	2.1
281.15506	2.5
282.12640	5.3
283.13440	4.8
284.14145	6.6
285.11398	1.2
287.12924	38.2
287.16135	1.7
288.13657	30.6
289.14005	2.3
297.14911	2.0
299.16544	61.6
300.13690	0.9
300.16748	5.3
301.14539	1.1
302.15247	59.0
303.15601	5.8
303.23453	0.6
317.14304	4.1
317.17569	100.0
318.17947	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	317.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40846	0.8
55.54148	0.7
61.98819	1.3
70.30527	1.0
70.30856	1.5
92.92786	0.9
95.86124	0.7
98.22401	1.6
115.58016	0.7
116.92886	1.0
172.88158	0.7
220.14714	1.5
221.15450	5.8
254.85614	1.0
289.21768	1.9
317.21228	100.0
318.08829	1.5
318.21545	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	317.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92631	0.5
59.01385	0.7
59.14745	0.6
59.55930	0.5
61.98822	1.0
71.38805	1.0
92.92767	0.8
96.62650	0.6
97.39433	0.5
113.52502	0.7
184.71983	0.7
196.84149	0.6
220.14690	1.8
221.15495	7.1
222.15730	0.7
289.21692	1.7
317.21246	100.0
318.21606	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	317.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73595	0.6
93.49089	0.2
118.74158	0.2
147.28862	0.2
220.14763	1.2
221.15480	7.8
222.16002	0.4
252.13472	0.2
289.21683	2.0
315.19482	0.4
317.21228	100.0
318.21570	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	317.2123
Annotation	CAY10410
Peak:m/z	Relative Intensity
69.03460	0.6
70.32095	1.8
79.05550	1.7
83.05033	1.0
95.05041	6.6
97.06598	45.6
98.06911	1.1
116.85146	0.7
191.06953	0.7
221.15416	3.5
249.22310	2.1
273.22269	98.9
274.22644	8.5
278.11484	1.2
317.21194	100.0
318.21518	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	317.2125
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
55.54295	0.7
57.03473	2.2
69.03468	6.3
69.46897	2.4
71.05042	1.1
77.73807	0.8
80.36310	0.7
81.03485	1.0
83.05074	2.3
84.02195	2.2
85.02955	9.8
85.03390	0.7
87.04544	1.8
93.03486	1.7
95.05036	5.5
97.02987	2.6
98.22641	1.2
105.07101	1.3
116.73885	0.7
119.08725	1.4
121.10243	13.9
133.06593	1.2
133.10239	1.1
134.01576	0.8
135.08157	3.4
147.08147	5.4
148.14864	0.7
149.06166	1.1
149.09700	3.9
169.10248	0.9
172.08992	1.1
173.09753	0.8
177.09290	0.8
187.11314	6.1
199.11270	2.5
201.12923	1.0
204.15164	0.7
213.16463	0.8
217.16017	4.3
218.16696	0.7
225.12886	2.4
227.14412	6.5
229.12384	1.3
229.15988	1.2
234.38300	0.7
235.14957	1.9
236.15771	0.9
239.14516	2.2
239.18073	0.9
240.15425	0.7
241.16074	3.3
251.14330	1.1
251.18080	7.7
253.16063	2.1
255.14070	2.0
255.17516	6.4
257.19067	4.7
261.14920	0.8
263.18195	0.7
265.15930	1.0
267.17484	2.8
268.14728	1.3
269.19125	100.0
270.19482	7.3
271.20654	2.8
272.14380	1.1
281.19150	17.6
282.19321	1.9
283.17078	1.3
284.10602	1.0
287.20203	7.9
288.20468	1.1
288.29776	0.7
297.43246	0.7
299.20181	85.4
300.20511	8.4
317.14050	5.2
317.17606	2.7
317.21201	24.5
318.21588	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	317.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17780	0.5
57.93055	0.4
69.05150	1.0
69.05558	2.8
69.30891	0.5
80.76659	0.6
81.07108	0.7
98.48613	0.5
115.26273	0.5
132.28314	0.6
140.97478	0.5
157.10243	1.4
173.13348	3.0
176.97247	0.6
253.19710	0.8
284.10568	0.5
286.31168	0.5
289.21881	0.5
317.13708	2.3
317.21234	100.0
318.17947	0.5
318.21582	10.3
329.62732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01367	1.1
69.09386	4.2
79.05514	1.3
83.05003	2.6
95.05030	0.9
103.05547	5.2
107.05033	13.1
109.02961	25.7
111.04513	2.3
115.05508	0.6
119.05058	0.6
119.83352	0.6
121.02966	1.5
121.06616	0.8
131.05055	3.9
133.06618	3.0
137.06044	0.8
140.08508	0.5
144.05775	2.6
147.04517	3.1
150.03249	0.6
157.06514	0.9
159.04556	1.7
165.05566	1.0
170.07355	0.9
171.08203	0.8
173.06084	1.0
183.08112	5.1
185.09703	1.3
187.07616	1.8
196.05231	1.5
197.06058	6.0
197.09775	0.6
198.06448	0.7
199.07608	2.3
201.05594	1.7
201.09271	1.8
202.06334	2.8
208.09012	1.2
210.06918	1.2
211.07661	25.4
212.04796	24.6
212.08073	1.9
213.05321	1.9
213.09334	0.6
214.06372	31.0
215.07076	7.3
221.09737	4.5
223.07787	0.6
223.11307	7.0
227.05295	1.2
227.07187	4.8
227.10715	0.7
228.07971	6.7
229.08710	100.0
230.09016	7.2
234.06883	18.0
235.07207	1.7
237.09230	2.5
239.10847	1.7
243.04773	7.6
244.05612	8.0
245.06075	0.7
248.08574	1.2
249.09227	56.6
250.09592	6.5
252.07915	0.9
255.10371	1.7
257.11792	0.9
267.10269	43.9
268.10641	4.7
271.08011	0.6
275.12994	0.9
283.07953	8.2
285.11343	51.2
286.06683	0.7
286.11691	4.1
301.09058	63.9
302.09277	5.1
319.10129	31.9
320.10501	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	319.1553
Annotation	alpha-Zearalenol
Peak:m/z	Relative Intensity
51.43560	0.3
57.03433	0.3
59.01379	0.7
67.01910	0.8
70.68272	0.3
71.01392	0.3
71.05019	1.5
72.99336	0.3
76.47049	0.3
81.03467	0.7
83.05045	0.3
85.02962	0.3
89.73895	0.3
93.03456	0.3
95.05025	3.2
97.06608	1.4
99.04570	0.4
105.03478	0.5
111.08160	0.5
114.22879	0.3
122.03796	0.3
123.04555	1.3
125.06116	0.3
133.02975	0.9
133.06578	0.6
134.03752	0.3
135.04533	0.4
137.06123	0.5
137.09746	0.6
139.04022	2.1
139.07649	0.5
146.07079	0.3
149.06107	0.5
149.09753	0.4
149.25407	0.3
150.19954	0.3
151.07634	0.8
151.11330	0.3
153.05577	0.5
164.08421	0.3
172.05272	0.3
173.06035	0.3
177.09261	0.7
179.10788	0.6
185.06250	0.4
187.07765	0.3
191.07115	0.3
195.10364	0.3
199.11302	1.2
202.06343	0.6
205.08638	1.3
206.09470	0.6
217.12305	0.6
219.10455	0.3
220.11063	6.0
220.52092	0.3
221.11623	0.5
222.08937	0.9
237.11336	0.8
242.13144	1.1
243.10292	1.2
245.11868	0.9
253.08691	0.6
256.11041	1.4
257.11819	0.8
268.11087	0.7
269.11716	0.6
271.09885	1.2
271.13425	1.7
272.14255	0.5
273.15015	3.0
275.13000	0.4
283.13470	0.6
284.10501	0.6
285.11365	1.0
286.12137	16.1
287.12564	1.6
289.14365	0.3
301.14478	13.7
302.14859	1.5
304.13184	4.8
317.14084	0.4
319.15518	100.0
320.15823	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	319.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08066	0.5
58.02984	7.8
72.00916	5.3
82.06642	2.4
91.05540	23.8
92.05865	0.6
96.03323	0.7
98.21753	0.9
103.05576	1.1
112.07713	3.4
116.05080	0.7
118.06655	3.1
126.09261	1.4
129.10352	79.5
130.10672	1.8
141.10391	0.6
147.04535	25.8
148.04913	0.6
153.10358	4.2
154.08754	11.8
164.07175	71.9
165.07521	2.7
171.11407	57.3
172.11731	2.4
184.12079	0.6
193.30203	0.5
216.13907	1.7
233.16602	36.9
234.16899	2.7
249.13966	0.6
275.17694	5.9
276.17969	0.8
277.15607	2.4
319.16635	100.0
320.16949	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	319.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33393	0.7
52.15815	0.8
55.36942	0.8
58.20828	0.8
58.86386	0.9
62.17785	0.8
69.12209	2.9
69.12633	2.5
75.66137	0.9
92.94429	0.9
98.22644	1.5
182.06963	0.9
275.19971	1.6
319.22766	100.0
320.23126	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.27414	0.5
59.01345	0.5
60.74194	0.5
69.97114	1.1
69.97424	0.5
74.37064	0.5
96.82178	0.5
97.06007	0.6
98.22672	1.0
137.12971	0.5
160.62564	0.5
174.96140	0.5
275.23685	0.6
286.95288	0.6
319.22791	100.0
320.23083	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	319.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11466	2.9
59.01364	4.2
62.37745	2.3
64.60253	2.4
66.70255	2.8
69.23656	17.0
69.84338	2.6
75.06899	2.5
81.07121	5.5
81.96716	2.8
95.36897	3.0
111.00932	2.7
135.04532	5.0
142.32797	2.8
167.53107	2.7
247.13460	3.3
257.22906	3.8
261.11246	6.6
276.08188	2.7
304.15073	4.6
319.22787	100.0
320.23245	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	319.228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16880	0.3
61.98832	0.3
70.62134	0.5
112.17816	0.3
130.80772	0.3
168.98720	0.3
212.87956	0.3
220.14737	0.7
289.21759	0.8
301.21841	2.3
319.22794	100.0
320.23138	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	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26644	1.1
56.95949	0.9
58.88452	1.0
69.10814	5.6
81.07087	1.4
91.56145	1.0
98.22832	2.2
109.93591	1.0
203.47028	1.2
222.84341	1.1
234.10847	1.1
257.22778	2.5
272.09799	1.3
319.22739	100.0
320.23160	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
56.49044	0.8
57.09296	0.6
59.01368	0.7
65.78772	0.8
71.76762	0.7
83.56191	0.6
89.58825	0.7
100.58713	0.6
111.00932	0.7
126.59286	0.8
257.22720	1.2
283.20764	3.1
289.21695	0.9
290.04651	0.8
319.22791	100.0
320.23129	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	320.187
Annotation	7-Angeloyl-9-(2-methylbutyryl)heliotridine
Peak:m/z	Relative Intensity
58.02977	2.1
58.41396	0.3
59.01363	0.4
64.96488	0.3
75.81708	0.3
81.03458	0.4
84.64735	0.3
92.68149	0.3
95.05031	0.5
111.00805	0.3
128.10832	6.2
128.16750	0.4
130.08748	100.0
131.09097	2.7
147.08177	0.4
156.06689	0.5
163.11290	1.5
172.09824	2.1
175.01518	0.4
186.12778	0.3
189.09230	2.8
217.15775	0.4
260.19684	0.4
277.21048	0.4
303.16138	0.4
320.18686	21.4
321.19397	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	321.1347
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
59.01385	2.1
69.22987	2.3
123.04603	0.5
135.04520	0.4
139.12209	0.4
143.51439	0.4
146.03818	0.9
147.04517	1.3
150.03206	2.2
158.03745	1.8
159.04506	2.7
161.02466	0.5
161.06044	3.3
172.05321	15.2
173.05791	0.4
174.06883	0.5
175.07654	1.6
179.03534	0.9
185.06099	2.0
186.06877	0.6
187.04280	2.0
187.07660	94.1
188.07968	4.9
189.09221	3.3
191.07184	0.5
201.05679	2.0
202.06363	0.6
204.04306	0.9
205.08760	1.7
213.09282	2.6
215.07195	1.4
216.07843	0.5
217.08638	0.9
219.10277	20.0
220.10602	0.8
245.08287	0.9
245.11827	0.6
246.08932	0.6
261.07700	3.8
261.10156	0.6
277.14468	9.8
277.17316	0.4
278.14886	1.0
289.10663	0.6
303.15988	1.0
321.13449	100.0
322.13800	7.9
322.17337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1711
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03448	7.4
58.68979	2.1
59.01370	5.0
70.19338	2.1
70.95014	2.4
71.05032	11.0
71.41705	3.2
73.02961	13.6
80.02689	4.2
81.03474	9.6
83.05025	3.2
93.03457	13.6
95.01385	2.6
95.05034	65.0
97.06607	10.2
98.52130	2.2
106.04279	2.5
107.05039	11.2
108.02145	3.6
109.06600	14.2
111.04527	9.3
121.02972	7.6
121.06599	3.9
122.03773	4.0
123.04556	5.2
123.08183	9.1
125.09732	62.9
130.08728	7.2
135.04553	11.6
136.05327	3.4
137.06096	3.5
149.06099	13.3
151.07658	100.0
152.08002	3.5
165.05519	2.4
167.07155	7.9
171.10326	16.7
177.13025	2.7
178.06386	4.6
185.11827	18.3
209.12015	2.9
219.10365	2.9
219.13847	4.7
221.11832	3.5
223.13403	6.7
232.11026	4.8
235.13507	4.2
237.11357	3.0
237.15150	2.4
247.13435	10.6
249.14941	12.2
259.16977	2.8
263.12817	3.1
265.14493	30.9
279.15912	2.7
289.18143	5.1
293.17523	2.7
303.16092	17.1
321.07565	2.3
321.13522	2.1
321.17099	44.3
321.20609	6.7
322.17181	2.9
332.92731	2.0
340.16895	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	321.2438
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
53.20827	1.4
59.01376	2.7
61.98833	2.2
65.16040	1.4
69.59367	6.1
74.11762	1.5
79.95763	1.4
80.96521	7.7
86.32275	1.5
98.21871	2.9
121.42699	1.6
128.30774	1.4
139.52744	1.5
145.99594	1.5
223.17059	11.0
224.17804	2.9
235.15291	2.0
251.16599	10.9
252.16986	1.5
284.16318	4.1
303.23407	9.3
321.24353	100.0
322.24893	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	322.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55505	0.6
57.03446	0.7
59.01389	5.0
71.01405	1.4
71.37696	0.6
73.02953	0.7
78.15722	0.7
80.15398	0.6
82.02988	0.8
82.73160	0.6
84.04520	0.7
85.02959	9.6
89.03981	1.6
101.02442	1.3
102.05616	13.2
117.03467	3.7
128.03552	31.0
129.01968	1.2
129.03943	0.9
132.02168	2.1
133.02994	1.4
134.03752	100.0
135.04251	3.0
137.02650	0.7
146.04605	56.0
147.03030	3.4
147.04868	1.3
148.05310	2.3
149.06096	46.7
150.06483	1.7
160.01680	11.0
160.06226	1.1
161.02393	2.2
161.06129	1.0
162.03275	3.3
172.02533	2.0
174.06940	0.7
175.02507	1.3
175.04027	22.9
176.04404	0.8
177.05557	2.1
192.06645	1.7
193.03302	1.3
193.05078	24.1
194.05453	0.9
203.05927	0.9
204.06750	1.1
218.08261	1.7
219.08949	0.7
225.72075	0.9
232.09818	9.6
234.11432	1.5
238.21051	0.7
245.06953	0.9
260.09335	2.2
278.10355	4.8
304.08295	14.5
305.08704	0.9
322.09341	35.4
323.09744	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03452	10.4
58.02984	1.1
59.01383	6.2
61.83060	0.7
65.55085	0.6
69.52586	2.5
71.01389	5.8
72.99306	2.6
73.02938	1.3
75.00837	1.1
83.01387	1.2
84.02156	1.4
85.02955	100.0
89.03973	0.9
96.96028	0.9
101.02457	1.7
102.05615	37.6
105.03436	0.7
117.03473	1.7
128.03546	48.1
129.01959	1.6
129.03850	1.4
132.02173	6.6
133.02962	2.5
134.03751	59.2
135.04254	2.1
146.04604	88.5
147.03004	42.0
147.04929	2.5
148.05327	0.9
149.06090	24.5
150.06398	1.6
160.01668	30.5
160.06139	4.8
161.02467	5.1
162.03218	1.4
172.02510	1.4
175.04019	40.8
176.04433	0.9
177.01952	0.9
177.05615	1.2
193.05054	18.6
218.08255	0.9
232.09790	4.8
260.09320	1.8
261.07632	0.8
278.10355	2.9
304.08292	8.8
322.09338	23.0
322.13022	1.4
322.36130	0.8
323.07959	3.4
334.69965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02975	2.1
64.84580	0.3
70.58695	0.5
76.28280	0.3
77.85638	0.3
81.03474	0.6
82.06625	0.3
95.05031	0.6
97.06557	0.4
104.61079	0.3
106.39761	0.3
109.06610	0.6
128.10828	6.7
130.08752	100.0
131.09099	2.7
165.12856	0.9
322.20258	29.9
323.20557	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30599	0.9
57.03448	2.9
58.96747	0.7
59.01384	3.0
61.36309	0.7
71.01402	1.9
71.59829	0.7
72.67601	0.8
73.02935	1.0
83.27590	0.7
85.02959	44.7
88.92641	0.9
89.02487	0.9
89.03961	1.7
95.01414	0.8
99.04581	1.1
101.02454	27.8
104.16484	0.8
117.03486	5.9
129.01953	100.0
130.02283	2.6
133.02994	2.5
134.03757	62.2
135.04092	1.5
147.03004	12.5
149.06078	6.2
150.96651	0.9
160.01668	1.4
161.02481	3.9
175.03992	1.8
178.02718	3.1
193.05075	64.4
194.05426	2.3
237.51898	0.9
285.06699	0.8
294.10950	1.0
324.08936	1.1
324.15720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
59.01385	100.0
59.87446	1.0
60.01720	1.3
62.90829	0.9
71.01389	44.1
72.99331	1.7
73.02956	1.9
83.01383	2.4
85.02959	9.1
87.00854	1.2
89.02454	50.7
91.64301	0.9
95.01393	3.5
101.02455	32.6
113.02465	18.5
119.03516	22.4
127.05132	1.2
128.73462	0.8
131.03537	2.2
134.37050	0.9
143.03537	2.1
161.04504	2.2
166.77869	1.1
179.05638	3.2
249.66597	1.0
287.10138	11.4
323.13483	78.1
324.13962	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00406	1.8
54.45220	1.8
58.02966	1.7
59.01373	3.3
66.09100	1.7
71.05027	4.7
77.37009	1.7
81.03486	3.0
83.01401	1.9
83.05033	4.6
84.02162	2.6
85.29349	1.6
95.05019	13.5
97.02975	3.2
97.06591	2.3
98.21913	5.5
109.06573	3.2
113.06078	6.7
121.02944	2.8
123.08198	3.3
125.09715	3.6
128.10818	4.0
129.11131	4.7
130.08752	100.0
131.09106	53.9
132.09282	1.9
134.27324	1.7
135.08144	2.5
151.07678	3.0
159.63658	1.7
160.39459	2.0
165.12878	2.8
171.04486	2.9
171.10315	12.7
185.11858	2.0
189.12830	2.0
209.11807	10.2
211.13412	2.4
222.25224	1.9
265.14426	3.9
278.05798	2.0
287.16449	3.2
305.17450	9.5
323.20496	24.3
324.08734	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.88776	2.9
55.01862	4.4
56.98175	3.0
57.03450	20.6
57.74640	3.1
59.01385	7.3
61.98861	3.0
69.03458	8.5
71.01379	4.6
71.05013	18.9
73.02946	3.9
74.06339	2.9
80.02686	3.0
81.03471	12.4
83.01375	19.0
83.05054	15.3
84.02151	6.6
85.02949	4.1
91.03127	3.1
95.05030	38.6
97.02985	3.0
97.06587	21.7
99.04521	4.5
99.92569	4.6
101.06087	5.2
106.04208	5.0
107.05039	5.1
109.06616	15.0
111.04531	3.7
111.06769	4.5
113.06087	21.3
116.92879	4.0
121.02939	4.3
123.04535	7.3
123.08151	8.4
125.06080	4.2
125.09733	26.6
130.08789	7.3
133.02969	8.4
135.08141	17.0
136.05305	3.3
149.09850	3.0
151.07648	5.3
151.11243	4.5
153.09151	5.0
163.11320	10.8
165.12833	9.4
167.10777	5.4
171.04507	11.0
171.10312	6.6
177.12816	6.1
181.12311	11.1
185.11897	22.1
189.12886	6.2
191.10776	10.3
203.10846	3.6
203.14372	7.1
209.11844	100.0
210.12074	6.4
211.13446	6.2
221.11679	3.7
225.11432	4.6
231.13876	3.9
233.11621	3.4
237.14984	58.4
238.15395	3.5
243.17529	11.8
247.13448	8.6
249.15007	5.2
259.17010	3.3
261.18619	4.6
265.14429	17.2
273.19058	3.3
287.16583	25.6
305.17673	40.6
311.68420	3.1
323.18576	41.3
324.08801	25.5
324.19022	4.2
326.47824	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.74618	4.0
57.03448	14.2
57.04306	3.7
59.01384	11.3
69.52046	18.1
71.05031	17.4
73.02957	6.7
81.03455	12.0
83.05024	8.7
88.91361	3.8
95.05035	70.2
97.06602	12.8
105.03483	6.0
109.06601	31.7
113.06155	4.1
121.02977	9.0
121.06624	6.5
122.03777	10.9
122.12782	4.0
123.08167	8.2
125.09734	16.5
129.16049	3.9
133.02928	8.3
133.06607	22.7
135.07253	4.8
135.08167	28.4
147.04543	4.9
151.07724	23.5
151.11285	7.4
161.09775	3.9
161.91600	4.2
171.04521	13.1
171.10274	100.0
172.77339	4.4
174.12866	6.2
175.13194	10.3
177.01978	12.1
185.11880	6.4
189.12849	9.5
209.11833	16.8
223.13458	40.9
233.11891	11.6
243.17520	9.4
249.14999	24.3
263.16437	6.5
265.14490	17.8
277.17975	5.6
281.07962	8.5
287.16516	44.1
305.17612	70.9
306.17920	6.8
323.02237	5.0
323.18741	30.8
323.22128	7.6
324.08817	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
60.04567	0.8
70.54276	1.3
93.26324	0.6
96.96024	14.0
99.00064	0.7
123.04538	1.1
133.02994	0.8
137.06085	1.2
147.00835	0.9
165.09235	2.2
165.12883	1.5
167.10762	1.1
171.04517	2.9
189.12869	1.0
193.12372	1.0
235.15323	2.9
261.22305	4.0
265.14798	15.4
266.14948	1.3
277.21710	1.0
279.23587	1.2
281.08313	1.7
295.22812	1.0
305.21237	100.0
306.21603	9.5
307.06119	0.9
323.10376	1.4
323.16733	2.8
323.22260	17.4
324.08810	5.4
324.22678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01366	7.2
70.54239	3.3
71.01395	3.7
77.13229	1.4
85.32880	1.4
89.02425	2.8
96.96030	3.4
99.00919	1.9
101.02456	2.4
121.02948	4.2
123.04498	1.9
136.09070	1.7
167.14377	1.6
247.16957	3.6
261.22226	4.4
265.14896	2.5
276.13013	1.7
291.16003	2.9
305.21228	100.0
306.21576	7.0
323.09726	6.6
323.18546	4.7
323.22144	19.9
324.08707	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
58.27028	1.6
63.40662	1.5
65.40259	1.6
69.71112	3.7
69.71490	4.1
70.96644	1.5
71.05016	7.8
81.03462	10.7
83.05044	2.0
83.55178	1.6
93.03465	2.0
95.05016	1.8
97.06606	3.9
98.21898	2.0
99.08146	4.2
103.31055	1.9
107.05028	2.0
107.19765	1.7
109.06616	2.8
111.08157	2.4
119.05017	2.2
119.08647	5.8
121.10237	19.8
123.08124	2.4
125.09716	13.9
130.36450	1.8
135.08192	1.9
137.09735	34.8
141.08408	1.9
141.12880	2.6
141.68890	1.7
144.37636	1.8
147.08179	2.0
148.87424	1.7
149.09720	8.7
151.11269	2.8
158.96696	1.6
171.08800	2.5
171.10272	45.0
171.11681	3.5
172.10654	1.8
185.11809	20.7
191.14476	6.2
197.11847	4.5
208.62299	1.8
209.11853	2.5
211.13408	1.9
217.15891	5.1
223.13397	2.1
245.91083	1.9
273.18539	11.5
291.19669	100.0
292.20038	9.0
305.21225	59.9
305.24689	3.7
306.21545	5.5
323.22296	73.7
324.08743	4.9
324.22549	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	323.2593
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
58.80676	1.0
59.01389	1.2
59.74446	1.0
98.21857	2.2
113.09777	1.6
115.87286	1.1
145.70482	1.2
171.04559	4.4
199.13414	6.1
207.17491	1.2
209.31340	1.1
223.17021	10.4
243.24005	1.0
249.87680	1.0
281.08231	3.1
291.22327	1.3
305.24857	23.2
306.25281	1.6
323.25934	100.0
324.08841	6.7
324.26169	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	324.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
65.00323	1.7
67.01884	0.8
69.61629	0.8
71.01382	1.3
72.57085	0.7
79.01894	0.7
83.01390	1.2
85.02959	1.0
93.03468	1.0
94.00631	1.4
95.01395	30.3
97.02937	1.3
108.02190	0.7
109.02963	4.2
111.00881	1.7
120.99274	1.9
121.02964	3.1
122.00089	2.9
123.00903	14.3
127.00385	1.1
128.21254	0.7
134.03712	1.1
135.04539	1.2
136.98819	1.9
137.01451	1.3
137.02460	17.0
137.99606	1.7
138.01958	1.2
138.03221	4.2
139.00385	33.3
140.00749	1.3
141.01929	1.8
153.01953	1.3
153.05554	3.2
155.03503	4.5
163.04013	1.1
166.02631	1.0
166.99870	18.5
181.01443	13.0
182.02231	5.3
193.05064	1.1
195.02992	2.7
197.04570	13.5
210.07722	4.6
222.05226	1.4
231.62505	0.7
237.07677	2.5
238.07228	8.2
252.08867	1.2
253.09486	3.9
260.82007	0.8
261.60440	0.8
263.06772	4.9
264.50745	0.9
266.11612	1.5
268.11887	2.1
277.08347	3.4
278.08841	1.9
294.10983	65.1
295.11212	4.9
308.12589	2.1
309.13321	62.3
310.13660	4.4
323.14746	0.7
324.15652	100.0
325.16006	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	324.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29214	7.5
60.88282	5.5
71.40285	6.7
90.47028	6.9
112.68393	6.1
147.71815	7.0
150.65030	6.6
171.04489	7.6
183.01202	34.6
228.22737	6.9
324.08786	18.0
325.18430	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96772	0.4
58.09995	0.5
59.01382	1.3
71.01403	2.1
71.05028	0.7
72.99320	0.6
73.02966	2.8
75.00889	4.4
81.03463	2.0
83.33141	0.5
85.02987	0.6
87.00899	0.5
90.03642	0.4
93.03444	0.8
99.00918	2.5
99.04529	2.1
117.03483	0.8
119.05036	65.3
120.05389	2.2
134.03772	0.8
143.03519	1.8
145.02943	0.5
161.04582	3.0
163.04021	100.0
164.04355	4.2
179.05623	9.8
193.05101	0.6
288.93137	0.5
325.09290	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	325.093
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
51.25975	0.6
59.01379	6.9
65.87540	0.7
69.47159	1.1
69.47552	1.5
71.01383	5.0
71.05038	1.5
72.99311	5.4
73.02962	5.5
75.00877	39.1
77.19112	0.8
81.03462	5.3
87.00894	3.5
87.04539	1.6
89.02494	0.8
93.03451	0.9
94.90293	0.6
98.04691	0.7
98.21944	1.3
99.00885	13.9
99.04535	5.3
102.30279	0.6
105.07700	0.6
117.01997	0.7
119.05042	46.0
120.05373	2.9
132.31412	0.7
139.40936	0.7
143.03526	9.7
145.02988	1.2
158.88940	0.7
161.04559	11.9
163.04025	65.3
164.04378	2.7
179.05624	100.0
180.06038	3.1
180.07471	0.7
180.14966	0.6
206.43199	0.7
306.11469	0.6
325.09241	6.9
337.69989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11555	0.8
54.41107	0.9
56.31924	0.8
59.01379	4.7
68.53358	0.8
69.28212	4.8
71.01371	3.9
71.05017	1.5
72.99301	1.4
73.02954	3.7
75.00877	40.7
77.74223	0.7
81.03458	3.5
87.00895	5.1
98.22636	1.5
99.00882	10.8
99.04513	2.3
119.05035	36.5
120.05350	1.0
125.02462	0.9
143.03542	8.8
161.02478	2.1
161.04584	7.5
163.04021	48.9
164.04309	2.7
174.94965	0.8
179.05620	100.0
180.05978	2.9
219.85536	0.8
219.89999	1.0
325.09415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29015	0.5
59.01399	1.2
69.43027	2.2
71.01395	1.6
71.04996	0.6
72.16514	0.5
73.02952	2.2
75.00877	5.1
79.94454	0.5
81.03465	2.3
82.15528	0.4
87.00869	1.2
87.08890	0.5
88.12466	0.5
89.04979	0.5
89.75201	0.5
93.03460	0.5
97.07224	0.5
99.00883	2.1
99.04528	1.7
108.05392	0.5
119.05040	75.3
120.05354	3.5
135.04590	0.5
143.03511	2.0
145.03024	0.5
161.04631	3.8
163.04025	100.0
164.04401	5.9
175.85762	0.5
179.05621	10.5
181.86984	0.5
316.13538	0.5
325.09338	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	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01366	0.7
60.26145	0.6
62.21589	0.8
69.55740	1.1
69.56133	1.6
71.01363	1.0
71.05011	0.9
72.99303	1.1
73.02949	2.3
75.00876	9.9
81.03462	3.7
87.00884	3.3
93.03468	0.8
98.21901	0.9
99.00889	2.4
99.04527	1.8
113.45799	0.6
119.05037	70.8
120.05351	1.7
143.03500	2.6
161.04570	7.1
163.04019	100.0
164.04362	5.0
178.69740	0.8
179.05627	16.4
235.62062	0.7
261.54852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	cis-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
50.69848	1.5
53.56029	1.6
55.01888	2.9
57.03461	3.5
59.01386	35.1
62.00210	1.5
71.01387	23.0
71.37341	1.9
72.99312	13.4
73.02946	13.0
75.00894	11.0
81.03449	4.2
83.01412	5.0
85.02956	20.5
87.00902	5.5
89.02461	6.1
93.03477	3.3
95.01412	7.7
95.05009	1.9
97.02969	6.5
97.61594	1.9
99.00885	5.6
101.02449	25.3
107.05041	5.2
109.02968	5.5
113.02459	30.2
119.05041	79.9
120.05383	3.2
121.02979	3.8
122.73513	1.7
123.04552	6.8
125.06101	1.8
129.01987	2.3
131.05052	2.6
133.02953	10.1
134.03745	2.7
135.04533	10.1
137.02454	4.6
139.04004	5.6
143.03444	2.8
143.05081	2.1
145.01538	2.2
145.02945	4.4
145.06604	2.4
146.03705	3.5
147.04521	6.3
149.02437	4.7
149.06116	5.1
151.04030	3.2
153.05612	6.8
159.04489	4.3
161.04582	12.2
161.06090	5.4
163.02536	16.1
163.03999	100.0
164.04359	4.2
165.05595	3.2
171.04596	2.1
173.06064	4.9
174.03174	1.9
175.03995	4.9
177.01921	5.5
177.05515	4.9
179.03474	2.8
179.05630	10.8
179.06995	2.7
181.05051	11.0
187.03986	2.5
189.05624	11.3
191.03386	1.9
199.04060	2.2
201.05655	3.9
207.06628	7.5
217.05135	7.8
228.84906	1.7
235.06133	7.0
325.09378	7.8
325.13864	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	325.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69908	6.6
56.41718	6.9
59.01384	59.7
69.32756	32.7
71.01390	32.5
73.02931	8.4
85.02943	13.2
85.66248	6.4
89.02453	21.1
98.21855	14.3
98.22495	21.8
101.02448	22.8
109.04070	10.7
113.02435	10.0
118.84763	8.1
119.03542	9.6
127.05157	26.2
128.03519	7.3
142.02037	7.3
145.06213	100.0
154.55818	8.5
161.04533	12.2
163.06107	16.4
193.07176	18.2
275.87466	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75113	0.8
54.44429	0.8
58.00604	6.3
58.47192	0.9
59.01395	1.7
68.96503	0.8
71.01397	1.3
71.04489	1.4
73.57207	0.9
83.05041	1.4
84.02175	1.1
95.05056	1.2
96.54208	0.9
97.06606	2.5
109.06628	1.3
111.08163	2.8
119.05010	1.2
123.08164	1.4
125.09750	2.9
127.07647	2.0
144.44687	1.0
151.11281	3.6
153.09212	3.2
153.12833	4.1
155.14415	1.9
162.48598	1.0
163.11296	1.4
165.12842	1.6
167.10751	1.4
169.12341	2.4
171.10284	7.9
171.13782	1.3
179.53497	0.9
181.12361	3.6
183.79176	1.1
185.11848	2.6
195.10350	1.0
197.11848	9.4
199.11678	1.9
199.13428	29.0
199.15274	1.4
200.13676	2.0
201.11392	6.0
209.11839	7.8
211.13300	1.2
213.11319	1.3
214.46620	1.1
215.12840	4.2
227.12912	100.0
228.13306	5.0
229.14505	9.6
245.19188	1.3
289.18185	2.8
297.20642	1.3
307.19217	10.1
312.35455	1.1
325.20343	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	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03465	2.3
58.00582	1.6
59.01387	15.8
63.41349	1.6
68.99837	1.5
69.03457	1.6
69.37729	6.1
70.94321	1.3
71.01398	6.1
72.99326	2.9
74.49918	1.3
81.03439	3.4
83.05047	4.8
93.03429	2.8
95.01386	2.4
95.05036	1.7
97.02979	1.9
97.06620	2.4
98.22670	2.7
102.30450	1.5
105.03522	2.2
106.04291	1.9
109.02982	2.2
109.06617	2.6
111.08177	12.4
119.05065	5.0
123.08188	9.3
125.09743	6.3
127.11272	3.7
133.06721	1.9
135.08208	8.2
137.09741	3.4
139.11302	2.5
141.09254	2.0
146.38228	1.7
151.11362	2.4
153.01947	4.7
153.09282	5.8
155.10818	4.0
163.00456	1.8
163.02580	1.9
165.12926	5.4
167.10791	5.2
171.04562	6.0
171.10281	33.4
171.11655	2.5
172.04895	6.2
177.01945	2.0
181.12315	1.7
183.01276	6.3
183.10365	4.4
183.13916	15.1
185.11832	18.8
195.10292	2.2
195.13989	2.2
197.11850	9.2
201.11354	28.1
202.11726	2.1
209.11923	2.2
211.13480	4.2
213.11363	8.6
215.12891	1.7
225.15076	6.7
227.12933	15.7
237.15044	2.8
245.19171	7.0
263.20169	17.4
264.50159	1.6
265.05115	2.0
271.17093	2.9
281.21381	6.0
282.08572	4.8
289.18124	9.3
307.19159	14.3
308.06485	2.4
310.12408	2.1
325.09464	17.4
325.15106	8.6
325.20306	100.0
326.06808	3.9
326.20651	11.2
335.79163	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96324	1.4
57.03447	2.5
57.90827	1.2
58.00597	4.5
59.01389	3.7
66.11693	1.5
68.37673	1.4
69.03463	2.6
69.86552	3.8
83.05004	3.8
87.30255	1.4
95.05019	2.4
97.06596	4.3
98.21964	2.0
101.06098	1.8
104.01471	1.3
111.08176	1.7
113.06088	4.9
115.07635	8.1
125.09714	2.3
127.07655	8.8
129.09142	2.0
132.74893	1.2
139.11334	1.6
141.09164	2.2
151.11278	15.4
153.09216	2.0
153.12849	14.5
155.14380	2.9
165.12810	2.5
169.12218	2.3
171.10287	4.4
171.13980	1.8
181.12361	3.2
183.13972	3.6
197.11833	24.1
198.12120	2.0
199.13408	33.6
201.11259	3.5
209.11946	7.5
211.13486	3.4
215.12886	20.8
227.12903	100.0
228.13194	5.8
229.14436	52.2
230.14792	2.1
235.13344	2.4
237.18614	1.9
263.20197	4.4
269.21115	2.6
279.19540	2.3
289.18127	4.9
297.20654	5.2
307.19220	16.1
310.11899	1.6
325.09634	2.7
325.14301	2.4
325.20215	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
55.60302	2.0
56.25231	1.8
57.03443	8.9
59.01368	5.3
69.03445	5.2
69.81565	2.0
69.81889	7.1
71.01385	3.3
71.05023	5.9
79.05551	3.2
80.02682	2.1
81.03458	3.8
83.05026	12.9
84.02160	16.1
85.06598	2.9
95.05024	12.3
97.02941	4.7
97.06591	12.7
98.06867	2.0
105.10369	2.2
107.06499	2.2
109.06593	5.4
110.03733	4.8
111.04545	6.4
111.08177	5.8
113.06115	5.2
115.07655	2.4
123.08170	7.0
124.40858	2.4
125.06106	2.4
125.09763	13.0
127.07658	8.3
127.11301	2.4
135.08188	13.7
153.09203	27.7
163.11284	5.9
165.12872	4.0
171.10284	80.6
172.10660	3.4
181.12335	2.4
185.11885	14.1
185.13414	1.9
191.14485	2.5
193.12344	13.0
195.10309	3.1
195.13834	2.5
197.11859	13.1
201.11331	10.8
209.11845	71.0
210.12099	3.9
211.13368	13.9
213.11368	5.9
223.13455	5.1
227.12859	3.7
237.14911	5.1
238.12143	3.9
245.19145	6.4
249.15005	9.6
267.16068	5.3
289.18103	16.7
307.15909	4.4
307.19199	55.9
308.19449	3.7
325.20233	100.0
326.20572	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34713	8.3
57.61285	7.5
59.01375	19.9
64.09543	8.0
81.03465	8.4
83.05051	16.1
87.82404	7.7
97.06585	7.5
109.06729	8.5
117.15947	7.8
128.35333	7.5
135.08128	12.0
137.09737	15.5
171.10283	20.8
185.11897	15.4
196.91379	11.4
197.11913	10.9
203.44569	8.4
209.11856	100.0
227.12910	9.6
263.10703	18.8
283.00070	7.7
307.19180	31.2
325.14511	9.7
325.20313	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01385	1.6
70.04506	3.0
71.05028	1.6
83.05057	1.3
94.01250	1.0
97.06576	1.7
102.34959	1.0
121.02960	6.8
122.03765	6.2
125.09775	2.1
136.05342	3.2
138.71385	1.0
164.08437	1.5
165.12952	0.9
167.14441	7.1
168.04329	1.7
183.01242	1.2
193.16008	3.3
199.13449	2.7
207.17601	4.2
225.11440	2.0
231.17540	2.7
233.15562	2.2
249.18629	35.1
250.18991	3.7
275.16547	27.9
276.16980	2.8
281.21286	8.9
293.17633	100.0
294.17938	7.2
307.19330	3.8
325.20273	76.1
325.23730	5.6
326.20654	7.5
326.24017	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94998	1.4
54.04584	1.3
57.03447	12.9
59.01377	5.1
69.03446	3.3
71.05016	8.4
73.02962	2.5
80.02663	2.1
81.03455	2.5
83.05023	6.0
85.06579	2.2
86.75965	1.8
87.04497	1.8
95.05006	2.7
97.02958	3.5
97.06606	4.7
98.21901	4.8
109.06596	22.1
111.08157	6.0
125.06162	1.5
125.09766	8.1
127.07669	2.5
127.11256	2.4
137.09729	3.6
141.09264	1.8
151.11304	2.7
151.94955	1.5
155.10867	2.8
165.09387	1.7
165.65208	1.6
167.10835	3.3
169.12349	4.8
171.10265	5.6
177.12869	2.9
181.12379	4.6
183.13902	3.6
193.12245	2.1
195.10368	2.1
195.13899	3.1
196.74815	1.6
197.11845	35.1
197.13509	2.9
199.09698	1.8
199.13419	4.0
201.11337	28.8
211.13391	33.0
212.13725	2.6
212.20209	2.0
213.11337	18.7
227.12814	3.9
235.13405	5.6
237.14958	32.7
238.15471	2.9
239.12999	1.6
245.19159	2.3
249.14906	2.5
274.44232	1.8
289.18085	24.1
290.18463	2.6
307.19202	14.9
325.20200	100.0
326.20511	9.1
332.54950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03442	7.4
59.01379	4.5
68.64800	4.2
70.82420	8.2
71.05016	7.0
77.22305	4.0
86.82978	4.0
94.02465	4.3
97.06578	10.5
122.03761	4.5
125.09710	27.3
126.03257	4.6
137.09760	15.1
140.90668	4.4
165.12926	4.8
167.14430	51.3
168.14847	6.7
171.10121	4.9
193.15984	28.6
207.17535	30.0
249.18611	77.3
255.77313	5.4
259.96362	5.2
275.16544	17.9
281.21231	67.3
289.18231	5.5
293.17578	31.7
294.06616	5.0
307.19168	100.0
308.19623	10.0
325.20477	53.6
326.20667	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	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.51821	0.4
57.49677	0.5
57.68917	0.4
65.14001	0.4
69.16219	1.1
69.16626	1.8
87.91162	0.4
98.22629	0.9
131.18939	0.4
132.85890	0.5
147.08153	0.5
149.09729	91.1
150.10048	4.6
163.11299	98.0
164.11624	5.3
183.01263	2.1
214.76723	0.6
319.33771	0.5
325.18567	5.2
325.21744	100.0
326.18411	1.0
326.22076	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	326.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79057	0.5
59.01385	2.4
61.98830	0.8
67.21388	0.4
70.94408	0.8
76.08891	0.5
78.95914	0.7
80.37962	0.4
81.50597	0.5
95.77633	0.5
98.22324	0.8
117.00453	0.8
132.02214	0.5
134.04761	0.8
140.02028	3.7
141.00418	0.6
141.02287	0.6
141.99927	0.7
151.16252	0.5
157.03584	1.0
158.03772	0.7
159.01497	1.4
160.01575	0.6
164.05765	1.5
165.99985	0.7
183.01527	4.1
184.01022	100.0
185.01198	8.1
185.02975	1.1
321.76434	0.5
326.02368	1.9
326.10959	1.4
326.14819	0.5
345.12604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
61.98510	0.4
61.98832	7.5
69.98064	0.6
69.98436	0.4
70.67532	0.2
137.96312	0.4
140.02045	2.9
141.02205	0.3
141.99916	0.7
157.87447	0.3
163.62396	0.3
181.95287	3.4
182.95364	0.4
183.94928	2.4
184.01027	100.0
185.01198	7.8
198.79477	0.3
208.15154	0.3
319.57053	0.3
326.02164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37375	1.0
59.01334	1.0
65.00322	1.1
71.01386	25.7
96.96033	1.0
108.02215	1.0
109.02956	2.6
110.00087	1.5
115.00378	10.3
121.02975	2.2
123.00871	0.9
123.04586	1.9
125.02479	1.3
125.99595	3.5
137.02457	11.5
137.06085	1.5
137.99615	3.4
141.01949	0.9
147.02980	1.0
149.02446	6.9
152.04810	15.0
153.01997	2.0
153.05594	40.3
153.99120	2.1
155.03545	1.8
164.04770	1.2
167.07178	1.7
168.04308	1.6
196.03807	2.8
197.04510	1.0
211.06134	100.0
212.06491	4.6
297.04160	0.9
312.10114	2.3
327.12259	2.2
327.15939	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	327.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	93.3
66.22009	7.5
70.46097	13.3
71.01394	100.0
72.99304	19.3
74.23480	8.5
85.02950	17.3
87.00899	55.8
89.02446	58.5
101.02448	36.9
101.82858	6.9
115.00375	24.6
119.03474	16.2
133.13948	8.0
134.04709	14.3
142.97656	8.1
147.03009	55.6
165.04118	13.1
165.05417	10.2
165.07706	29.9
167.50693	8.2
177.73123	8.7
179.05692	15.7
228.97612	25.4
240.94301	7.5
252.34074	7.3
327.09299	10.8
327.12924	19.2
332.96100	7.5
349.48880	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	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.03444	4.1
59.01383	25.3
68.99825	1.8
71.01388	39.2
71.53049	1.1
72.99329	1.3
73.02950	12.9
75.00884	3.6
79.05534	1.6
79.95741	1.3
83.01399	3.5
83.05030	2.5
85.02957	24.0
87.00892	3.2
89.02439	6.1
91.05544	3.4
93.03477	9.1
95.01409	5.8
95.05005	2.5
96.96032	2.4
97.02950	2.7
98.21932	4.9
99.00903	1.7
101.02442	12.5
105.07106	1.1
107.05038	4.5
108.02162	1.9
113.02456	27.9
117.07116	3.8
118.94235	3.8
119.03690	1.4
119.05034	38.0
121.02962	35.9
121.03853	1.2
121.06611	3.3
122.03733	5.1
123.04528	21.5
125.02438	2.7
130.04292	1.4
133.06602	12.5
135.04541	14.2
137.06114	8.0
143.05013	4.7
145.02969	1.5
145.06607	4.3
146.03712	1.7
147.04544	3.7
147.08142	1.7
149.06084	3.4
151.07669	1.9
157.06606	1.6
159.04532	2.9
161.04616	3.2
161.06076	23.5
162.06506	1.3
163.04045	3.2
163.07654	2.1
165.05576	100.0
166.05930	3.5
171.04475	3.0
173.06097	4.1
175.07675	2.8
177.05527	3.4
179.07159	8.0
183.06824	1.6
185.06126	1.5
189.05602	12.4
191.07170	5.2
197.21742	1.1
200.18893	1.1
201.05623	1.5
207.06630	13.0
219.06636	4.2
229.14468	1.1
237.07697	5.9
249.07683	4.3
267.03168	2.4
267.08688	5.2
309.09845	1.9
312.78860	1.1
327.05173	4.9
327.11002	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	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01387	6.2
64.22663	0.9
71.01028	1.1
71.01387	14.4
79.95752	1.2
80.96532	3.2
83.05063	0.8
85.02887	0.8
95.05014	1.6
96.41206	0.8
115.00381	9.8
120.95967	0.8
131.08685	0.8
147.08202	0.9
149.09718	8.8
167.10789	42.3
168.11064	1.5
193.08702	1.8
211.09770	100.0
212.10144	5.8
268.07175	0.8
297.04062	1.5
309.08087	0.8
313.87622	0.7
327.08316	3.3
327.14575	1.8
328.09030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01367	1.3
62.19318	0.4
66.35425	0.4
69.03443	1.2
69.22533	2.1
69.22940	0.7
71.01386	47.2
73.10977	0.4
74.68256	0.5
83.05029	1.3
83.64535	0.4
85.02946	2.3
89.78281	0.6
96.27290	0.4
97.06601	1.3
102.55067	0.4
115.00382	10.7
127.11283	0.8
133.01450	1.1
137.09738	0.8
144.70578	0.4
166.95316	0.5
167.14378	0.9
171.10307	4.7
183.13911	8.4
193.12363	2.3
197.11861	0.8
201.11357	1.1
211.13414	100.0
212.13724	7.2
221.11876	0.7
229.14413	1.7
266.55328	0.5
283.19189	4.2
287.24387	0.6
291.19720	1.1
297.04025	0.9
309.20618	0.7
312.06665	0.5
327.08728	1.1
327.15762	1.1
327.21790	25.7
328.22095	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	327.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
59.01385	100.0
61.56783	1.8
66.70685	1.8
69.03455	3.2
71.01025	3.5
71.01392	46.0
73.02938	3.8
85.02984	14.4
89.02456	42.1
95.01408	2.2
97.02966	2.3
97.06570	4.1
98.21882	3.9
101.02444	17.9
113.02448	24.0
119.03514	15.4
121.10251	63.4
122.10547	2.5
123.38807	2.0
125.02514	2.5
137.09705	2.3
143.03510	3.3
163.11330	12.0
165.09227	18.1
171.10307	16.6
177.67882	2.0
179.05620	3.2
179.10828	1.8
183.13934	4.3
197.16740	1.8
207.10297	5.5
211.13414	9.7
229.14526	6.1
291.19781	2.6
295.77682	2.3
317.33289	2.0
327.21802	62.6
328.22147	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	1.0
69.06241	2.1
69.06634	5.8
71.74157	0.9
82.87636	1.3
98.20526	1.1
104.02648	2.1
107.05064	2.2
120.02235	1.2
155.08678	2.0
163.08629	1.0
171.08163	5.1
181.06639	1.0
187.07675	3.4
189.01955	3.4
190.02711	2.3
199.07684	11.5
201.05396	1.1
215.07153	4.1
225.05664	1.3
243.06625	100.0
244.07127	7.0
281.82565	1.0
312.13724	33.8
313.13934	2.7
327.16034	88.1
328.16428	8.4
347.17148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93779	1.0
69.21816	5.9
77.90298	0.9
107.80313	1.1
118.23860	1.0
119.79639	1.0
207.06848	1.1
217.05005	1.8
224.71523	1.4
230.05927	2.1
243.06731	1.1
295.09799	1.4
297.04071	2.1
297.11456	7.6
298.11761	1.2
309.15076	1.4
311.12866	4.7
312.13565	3.3
325.14651	1.1
327.16028	100.0
328.16425	11.4
346.12851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.00862	0.5
57.03468	0.7
58.00583	1.1
59.01386	4.5
69.03471	0.8
69.51143	1.9
71.01385	1.2
77.14822	0.6
83.05037	0.8
97.06600	2.5
111.08172	11.2
153.12810	0.8
161.17506	0.6
169.12355	5.1
171.10257	2.3
181.12311	1.0
185.11819	2.8
193.12563	0.6
197.11841	41.9
198.12160	1.9
199.13428	4.8
209.11873	2.2
210.63692	0.5
211.13400	3.1
221.11914	1.4
225.14973	0.7
227.12842	1.0
229.50957	0.5
235.60094	0.6
239.12875	1.9
263.20187	1.1
264.39938	0.5
291.19672	3.9
309.20743	3.6
327.21774	100.0
328.22159	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.17682	0.6
51.28130	0.6
57.01318	0.6
57.03428	1.0
57.55114	0.6
58.00579	1.5
69.03455	1.1
70.42736	1.3
79.49317	0.5
83.05012	0.8
85.02934	2.1
97.03016	0.7
97.06583	2.8
113.14604	0.6
139.11290	0.8
153.12863	1.3
155.14435	4.7
165.25090	0.7
171.10295	6.9
176.38680	0.6
182.03706	0.8
183.13939	6.2
185.11745	0.7
199.13434	6.7
207.13864	0.6
211.13438	6.7
227.12999	2.9
229.14458	100.0
230.14766	5.6
231.10266	1.5
232.92111	0.6
234.54176	0.7
291.19714	3.0
309.20734	7.2
312.13409	0.9
322.65088	0.7
327.08914	0.8
327.16061	5.5
327.21780	23.3
327.25674	1.4
328.16428	1.1
328.22104	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
58.00575	1.5
59.01380	3.5
59.80441	0.7
66.73410	0.7
69.03458	0.8
69.32588	1.7
69.32986	3.4
71.05041	0.8
73.02929	1.0
78.53481	0.7
85.02954	2.6
97.06630	1.8
107.08677	3.4
111.08212	0.9
116.92879	1.0
125.09741	5.8
127.11282	9.1
128.22346	0.9
132.50137	0.9
137.09769	1.8
138.81200	0.9
143.10750	0.9
146.21004	0.7
149.86328	0.8
155.10765	4.3
156.17432	0.7
165.09209	4.7
171.10281	12.4
178.97215	0.8
183.10323	1.8
183.14024	1.4
197.11816	1.3
199.09737	3.1
201.11339	68.3
202.11644	4.0
211.13510	2.6
229.14395	1.0
261.18677	1.0
273.18823	2.0
285.11285	1.3
291.19662	3.6
297.04016	2.8
297.20728	2.7
299.12521	0.8
309.20746	5.2
312.13559	0.9
327.16339	4.4
327.21796	100.0
328.13162	2.0
328.22153	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.49773	0.9
58.00601	2.1
59.01382	3.1
63.19938	0.9
69.03458	5.3
93.40932	0.9
97.06584	2.5
108.05825	1.2
111.08170	9.6
119.08669	4.4
125.09702	2.9
127.07704	1.5
127.11284	3.0
135.08183	1.5
137.09746	22.3
169.12349	5.7
171.10280	89.5
172.10600	5.1
181.12379	1.5
197.11848	38.6
198.12125	2.2
199.13425	7.2
201.11330	22.5
202.11673	1.1
211.13438	2.9
213.11380	2.5
273.18735	1.8
273.46832	1.0
291.19745	4.1
309.20792	7.3
327.21774	100.0
328.22134	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	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76458	3.4
54.49622	3.3
59.01374	5.9
59.68190	3.3
69.20030	4.5
69.20370	20.8
81.30034	3.3
83.58515	2.9
84.13437	3.1
97.06573	4.0
109.36604	3.5
111.08181	4.9
137.09732	7.3
160.01556	4.1
168.91426	9.2
171.10260	23.7
174.19551	3.2
197.11803	40.7
199.13358	7.3
201.11464	5.3
297.03998	8.1
309.20627	4.3
327.08875	7.0
327.21802	100.0
328.22076	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	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.79221	0.3
57.03450	2.3
58.00584	0.4
58.45020	0.3
59.01373	1.5
69.03452	1.6
69.58131	1.5
71.01382	1.6
73.02950	0.6
80.02663	0.4
81.03496	0.5
83.05029	1.3
85.02960	6.4
92.61826	0.4
95.05016	0.9
97.02975	0.6
97.06600	6.6
98.22635	0.8
103.90205	0.3
106.04223	0.5
107.05039	0.4
109.06610	0.4
110.03749	0.6
111.08158	0.4
123.08168	0.5
125.09753	1.7
126.55747	0.3
127.11319	2.8
135.08163	1.0
137.02444	0.5
137.09729	1.2
151.11218	0.5
154.04129	0.4
155.10789	0.8
155.14439	0.6
155.19275	0.3
163.11258	0.5
165.12845	1.5
167.10788	0.5
167.14436	1.0
171.10280	13.8
172.10709	0.6
175.11205	0.6
177.12880	1.0
181.12415	0.6
183.13910	5.0
185.11905	2.0
189.05640	0.4
193.12335	2.3
195.13898	0.4
197.11852	1.2
199.13359	0.5
201.11324	0.4
203.10728	0.6
209.11792	2.3
211.13402	26.1
212.13696	1.3
221.11853	4.4
226.02795	0.5
226.97404	0.4
227.12990	0.4
229.14455	17.1
230.14754	1.3
233.17279	0.4
239.12976	2.8
267.15836	0.5
273.18533	0.6
283.19119	0.8
291.19705	4.2
292.20187	0.4
297.04028	1.1
309.15106	0.5
309.20691	2.0
327.21771	100.0
328.22134	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84228	0.7
52.04839	0.7
55.01862	0.9
57.03457	4.6
69.03459	5.3
69.40165	0.7
85.02956	24.4
97.02954	3.0
97.06599	1.0
98.21819	1.8
108.05840	0.8
118.89989	1.0
119.08692	2.5
125.09727	1.0
127.11291	2.0
137.09764	6.3
153.09323	0.7
155.10719	1.0
171.10280	52.1
172.10664	2.0
183.14012	1.7
201.11343	2.6
211.13409	7.6
221.11871	1.3
229.14328	4.2
265.18097	0.7
273.02261	0.8
274.49561	0.8
291.19659	1.8
297.04007	1.2
327.21796	100.0
328.22150	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.0
58.00599	0.8
59.01385	2.5
69.03448	2.2
71.01373	0.6
83.05068	0.9
85.02962	9.8
95.05049	0.9
97.02964	1.7
97.06601	4.1
98.22623	1.9
111.08180	3.1
125.09717	1.3
127.11311	1.7
137.09724	2.8
151.11270	0.6
152.31854	0.5
155.10796	0.8
155.14410	0.6
165.12842	1.1
167.14500	0.7
169.12408	1.5
171.10278	22.7
172.10655	1.3
181.12289	1.1
183.13947	3.3
185.11772	1.2
190.06158	0.5
193.12352	1.0
197.11842	16.1
199.13452	3.2
201.11269	0.9
203.10881	0.5
209.11847	1.2
211.13414	16.3
212.13805	1.0
221.11873	1.8
229.14456	9.8
239.12791	0.9
280.74857	0.6
291.19754	3.9
309.20822	1.9
310.21359	0.6
327.21790	100.0
328.22092	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53480	0.7
57.03447	2.7
59.01369	1.6
69.03461	3.7
70.73434	1.3
70.73763	0.9
83.05024	0.8
84.02180	1.9
85.02948	4.8
97.06599	2.2
99.08187	1.2
116.00629	0.8
123.08167	1.6
125.09718	5.4
127.11285	4.7
137.02415	1.2
137.09727	1.6
139.11301	3.1
141.47763	0.7
143.10757	2.5
155.10797	12.6
171.10281	100.0
172.10580	4.7
181.01042	0.8
183.13997	1.2
187.09787	1.4
197.11861	1.7
201.11293	4.2
203.10716	0.9
211.13414	4.7
212.02153	0.8
215.13158	1.0
229.08693	1.0
229.14447	3.4
231.10246	6.9
257.11743	1.8
265.21655	1.0
269.04602	1.1
283.13141	1.0
285.14795	1.1
289.18094	0.8
291.19681	1.2
297.04147	4.2
297.11356	0.9
298.11868	0.8
299.22012	1.0
309.20691	2.8
311.12854	1.6
312.13681	1.9
318.38293	0.9
327.08795	2.1
327.15924	17.3
327.21750	55.7
328.16269	1.9
328.22156	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46837	0.1
53.09690	0.1
57.03449	1.6
58.00588	0.4
59.01383	0.8
59.02489	0.1
68.99900	0.2
69.03465	1.1
71.01395	1.1
71.05006	0.5
73.02940	0.3
80.02679	0.4
81.03454	0.4
83.05034	1.2
84.02175	0.5
85.02953	4.7
93.03487	0.2
93.73795	0.1
95.05030	1.1
97.02956	0.6
97.06595	6.4
98.06931	0.2
98.21810	0.3
99.04548	0.2
99.08135	0.2
106.04229	0.3
107.05080	0.1
109.06586	0.6
110.03765	0.8
111.04532	0.4
111.08168	0.3
113.06115	0.2
121.10285	0.3
123.04523	0.3
123.08148	0.4
125.09738	1.5
127.07584	0.2
127.11321	2.2
137.09747	0.9
149.06046	0.1
149.09752	0.2
151.11276	0.1
153.12875	0.3
155.10789	1.6
155.14447	0.7
163.11264	0.6
165.09192	0.4
165.12851	1.1
167.10765	0.5
167.14441	1.3
171.10287	11.2
172.10579	0.5
175.11313	0.3
177.12860	1.4
181.12411	0.7
183.13914	5.1
183.15567	0.3
184.14279	0.2
185.11855	2.2
193.12379	1.6
195.13829	0.2
197.11794	1.2
199.13414	0.5
201.11237	0.3
201.15022	0.2
203.10744	0.5
209.11847	2.3
210.12166	0.2
211.13405	25.2
212.08530	0.2
212.13741	1.6
216.97209	0.1
221.11839	3.7
222.12199	0.4
227.12907	0.6
229.14452	17.2
230.14769	0.9
239.10652	0.3
239.12901	2.8
247.20717	0.7
254.09433	0.2
266.37997	0.2
269.11716	0.4
271.13226	0.3
273.18634	0.4
279.10248	0.4
283.13370	0.3
283.19199	0.3
291.19693	5.4
292.20007	0.6
294.12582	1.0
297.04077	0.2
297.11407	0.4
299.16431	0.2
309.15067	1.1
309.20654	2.3
310.21240	0.2
312.13705	0.8
327.16324	4.2
327.21774	100.0
328.16187	0.5
328.22116	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01382	100.0
64.48940	1.4
77.76549	1.5
93.78252	1.6
97.06580	1.5
139.29205	1.8
184.32767	1.6
185.00658	1.6
188.78871	1.6
190.24789	1.6
204.85965	1.4
316.93619	1.5
327.18234	6.8
327.29062	68.0
328.29446	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	328.0455
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
56.14959	0.2
59.01385	1.5
63.82122	0.2
65.01456	0.2
68.56536	0.2
69.57903	0.4
69.58292	0.4
71.01380	0.7
73.93712	0.2
78.95898	0.7
89.02442	0.6
92.02547	0.9
98.21873	0.4
107.03651	4.4
108.02184	2.2
113.37418	0.2
114.05733	0.2
119.03497	0.2
123.04559	1.2
124.98822	0.2
130.08740	0.4
131.89537	0.2
134.04742	100.0
135.05200	2.2
141.00574	0.2
143.02011	0.3
148.04045	0.7
152.01169	2.1
159.01515	0.9
160.22388	0.2
167.03506	4.0
170.97932	0.4
184.01062	1.0
185.03061	0.6
186.00842	0.8
186.03192	0.4
186.06232	0.2
187.01001	1.2
187.02570	0.2
188.07828	0.5
202.09361	0.4
236.53259	0.2
286.07886	0.4
328.04541	2.5
328.11288	0.2
329.04672	0.2
350.46844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
56.09822	0.7
57.03448	1.8
59.01382	64.1
61.98836	6.2
67.79339	0.7
69.09467	5.3
69.60487	0.7
71.01390	8.7
72.99311	2.1
78.95898	2.9
83.01399	1.4
85.02957	11.8
86.00130	1.0
87.00896	9.0
89.02469	6.5
93.03464	1.2
95.01396	1.9
99.00878	1.6
101.02455	6.8
107.03709	1.3
108.02181	32.6
108.04539	0.7
113.02454	4.6
113.19183	0.8
115.02495	3.0
117.00431	6.4
119.03499	1.7
121.05344	1.6
122.03763	5.0
122.06132	16.4
123.04546	17.1
125.01068	0.8
126.98886	1.5
128.03510	0.7
129.01924	1.0
134.06076	1.9
136.04057	1.0
136.07693	5.5
141.00449	5.1
143.01973	4.3
144.99963	1.4
145.06169	1.4
146.06276	0.9
147.03053	1.1
150.05617	35.0
151.04057	0.8
152.01175	21.5
152.07210	3.9
157.03610	2.9
159.01509	66.7
160.01628	4.3
161.04578	1.8
162.05591	1.3
164.07156	1.3
166.02638	1.1
167.03508	63.7
167.99716	0.8
168.01576	6.3
168.03859	1.9
168.99968	8.7
170.97841	3.1
175.06433	1.5
176.07144	4.1
178.96114	1.1
179.96156	1.4
180.95712	1.2
181.05095	1.1
183.01498	4.9
184.01039	1.8
185.01160	7.9
185.02820	1.1
186.00737	7.9
186.98550	7.9
187.01003	100.0
187.98790	1.8
188.00714	10.4
191.01929	1.5
194.08240	1.4
201.02576	16.2
202.02663	1.9
204.06712	1.0
208.04669	1.7
209.03072	1.5
209.04559	5.5
210.02603	3.9
210.04704	0.7
222.07632	1.8
232.98196	1.0
239.05548	1.1
241.00630	1.6
252.03653	3.7
269.00055	1.8
269.06451	1.8
274.99335	1.5
281.62228	0.9
287.01242	1.8
299.13028	1.2
311.01129	3.0
312.10904	18.1
329.02402	2.4
329.08765	8.6
329.17624	1.2
330.01993	0.9
330.11981	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
57.03458	12.8
59.01384	23.0
64.87759	0.8
69.45627	3.4
71.01385	9.4
72.99327	2.4
73.02963	1.6
75.00876	3.2
81.03504	1.2
83.01386	4.1
83.26789	0.8
84.02166	1.1
85.02958	100.0
86.03296	1.5
87.00874	4.9
89.02483	5.3
93.03477	4.9
93.65815	0.8
99.00869	1.2
101.02468	4.3
103.00376	1.6
103.77888	0.8
108.02198	11.5
111.00890	5.8
113.02473	1.9
115.00389	0.8
117.00515	0.9
119.03512	1.1
121.02946	1.4
122.06150	1.4
123.00935	1.0
123.04531	9.9
129.01927	7.3
129.04385	0.8
133.01469	2.2
134.43813	0.8
137.02483	6.5
147.03014	10.8
149.02559	1.3
150.05615	2.3
151.00386	1.4
152.01193	7.9
159.01494	4.5
161.04564	2.7
166.02730	2.1
167.03506	35.7
167.04921	1.8
168.03845	1.1
173.00926	2.3
179.05608	2.8
181.05006	0.9
187.00980	7.1
188.00943	0.8
191.01978	18.5
201.02495	1.4
209.03008	35.0
209.04535	2.9
210.03418	1.2
300.13666	1.1
312.10861	0.9
329.05219	1.6
329.08743	18.0
329.17349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01364	1.4
64.21526	0.4
69.37151	2.0
71.01382	1.0
73.02968	0.6
78.40427	0.5
85.02953	0.9
101.02466	0.6
108.02179	67.6
109.02515	2.0
113.02428	0.6
123.04533	23.8
124.04843	0.8
152.01163	44.3
153.01501	1.9
167.03503	100.0
168.03833	2.9
196.03522	0.4
285.54941	0.5
306.47095	0.4
329.08774	1.3
349.79181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.70525	1.3
52.33040	1.1
57.03411	1.1
58.00600	1.9
59.01384	100.0
71.01386	43.6
83.01389	2.0
85.02949	10.6
87.00887	2.0
89.02450	40.3
91.01900	3.2
95.01403	3.7
98.22679	3.5
101.02437	19.8
104.11030	1.1
107.01416	2.5
108.02190	7.3
109.02959	3.1
113.02457	20.3
119.03510	12.8
122.03766	1.8
123.04540	14.1
134.39983	1.2
137.02388	1.5
138.76466	1.2
150.03261	2.3
151.00374	5.2
152.01183	8.2
165.05544	1.5
166.02715	8.0
167.03510	66.8
176.55583	1.3
181.05101	11.5
194.02209	3.6
209.04552	43.9
210.04875	2.8
217.76576	1.4
239.05640	3.3
269.06757	8.1
329.08795	74.8
330.09000	6.9
351.96170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.98769	1.2
55.01880	1.7
59.01384	100.0
67.01904	1.5
70.76944	2.9
71.01389	48.8
72.01725	1.3
72.99344	1.8
73.02961	2.9
76.76355	1.3
81.03468	3.7
83.01388	2.6
83.05028	14.6
85.02959	13.6
86.21576	1.5
87.84824	1.4
89.02451	38.6
91.01939	1.5
95.01402	4.2
98.22062	1.5
101.02451	23.3
107.01419	2.2
107.05038	5.1
108.02184	6.7
109.02994	2.1
113.02453	16.7
119.03561	7.0
119.05009	6.7
121.02992	1.5
121.06613	13.9
123.04541	29.7
123.05399	2.7
124.33647	1.2
125.05206	1.4
125.06101	3.4
134.03758	3.3
149.06094	32.2
150.03282	1.5
151.00349	3.6
152.01170	10.1
161.04576	3.2
165.05568	1.9
166.02745	10.1
167.03508	75.9
167.07135	19.1
168.03946	1.8
179.05563	2.0
181.05110	12.1
194.02234	4.5
209.04559	54.2
210.04959	2.6
229.76826	1.3
239.05664	5.8
242.47166	1.5
269.06625	6.8
329.08755	23.9
330.09103	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36249	0.9
55.01887	1.0
57.03452	1.6
59.01384	100.0
60.43477	0.9
69.03461	4.1
69.53500	4.3
71.01388	59.8
71.81249	0.9
72.99314	2.1
73.02961	5.0
81.03419	0.9
83.01402	1.9
85.02959	12.0
87.00886	2.4
89.02454	59.0
95.01394	4.2
97.02955	1.4
99.00879	1.4
101.02450	21.1
113.02460	19.8
119.03517	19.3
121.02978	2.9
123.00895	2.0
125.02477	1.4
131.03534	1.5
137.02451	4.6
138.03220	1.4
139.00385	1.0
139.04036	2.1
143.03497	1.7
149.04543	1.3
149.06206	1.1
153.05565	3.9
155.03564	1.3
161.04567	3.3
166.99887	1.3
179.05597	3.6
181.01465	6.2
182.02174	2.6
196.03802	2.0
197.04564	13.1
207.08228	1.0
209.11751	1.9
211.06165	2.3
224.03261	3.6
225.09084	1.2
227.12827	1.2
239.05623	21.0
240.06032	1.6
245.38689	1.0
269.06622	2.6
286.11038	0.9
329.08652	2.7
329.17380	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01387	3.2
71.01376	9.5
79.95748	1.3
96.95981	1.3
98.22724	2.0
115.00376	7.0
123.08179	1.7
124.88152	1.2
127.00404	1.7
149.09679	2.7
151.11293	48.7
152.11671	2.7
152.98737	1.3
169.12407	1.5
171.10413	2.9
213.11339	100.0
214.11629	5.6
225.04584	1.3
227.05946	2.3
249.11238	2.4
269.06979	8.7
329.06952	4.1
329.10449	2.0
329.17245	1.3
330.07343	2.1
330.58945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1245
Annotation	Bartsioside
Peak:m/z	Relative Intensity
52.99031	1.3
55.01884	7.6
57.03442	1.4
59.01386	17.8
59.32631	1.2
66.37531	1.2
69.66574	4.8
71.01388	12.3
72.99321	6.3
73.02953	100.0
74.03294	2.1
74.64562	1.3
83.01399	14.9
85.02991	1.8
87.00867	1.5
89.02457	6.0
92.99767	1.3
99.00879	8.1
101.02455	74.3
102.02815	1.7
121.06609	2.9
127.00373	8.1
130.08728	1.3
145.01445	32.6
149.06102	15.4
167.07185	9.6
183.10297	22.6
197.04665	1.4
298.37259	1.6
341.88834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97296	0.2
70.49287	0.3
70.49629	0.5
71.01386	31.3
72.01718	0.5
98.22560	0.3
100.48727	0.3
106.68136	0.2
115.00388	8.3
132.42165	0.2
133.01439	0.8
177.12816	0.4
183.13904	12.3
184.14272	0.7
195.13914	11.1
196.14288	0.4
211.13365	0.5
213.14970	100.0
214.15306	6.1
285.15125	0.4
299.12878	0.4
300.13641	0.6
314.15137	0.4
329.17682	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	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89194	0.6
53.96975	0.6
59.01383	1.1
59.39961	0.6
71.01388	41.4
72.99312	0.7
102.26054	0.6
112.08278	0.7
115.00401	9.7
126.05624	0.7
133.01436	1.7
167.14388	1.2
183.13905	2.7
195.13916	7.8
204.03383	0.7
211.13380	0.9
213.02095	0.7
213.14973	100.0
214.15308	5.3
320.45984	0.6
329.17496	1.4
352.27097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11741	0.9
59.01383	0.9
61.98837	1.2
69.32310	4.6
83.05053	1.4
89.71788	1.1
92.90630	1.0
97.06599	6.6
98.21968	2.2
106.04269	1.1
123.04482	1.2
134.03696	1.6
135.04533	1.2
150.06897	2.7
159.04706	1.0
159.08197	1.1
163.07700	1.7
179.15668	1.0
187.07727	1.0
189.05634	2.8
190.31903	1.0
193.08714	5.2
200.08446	3.9
201.05594	1.5
201.09215	2.0
202.06310	1.4
203.07092	1.3
203.10727	1.3
204.07930	8.2
207.13957	2.1
211.62358	1.0
215.07106	3.8
215.10777	7.5
217.08687	2.6
218.09520	3.1
220.14583	1.6
221.15428	3.6
229.12421	3.8
230.13042	5.6
231.10320	5.7
232.11154	5.0
233.11813	2.7
236.10556	3.0
247.13585	1.4
248.14011	5.5
255.13896	1.9
255.22784	1.0
257.11786	1.5
262.12027	1.2
268.14703	1.2
269.11905	2.1
270.08990	1.7
270.12479	1.4
271.13446	2.9
281.11868	5.4
283.09772	3.2
284.10626	1.0
285.11270	4.2
285.14987	3.8
295.13461	1.8
296.14209	8.6
299.12906	86.2
300.13651	93.9
301.14026	6.7
311.16614	13.0
313.14435	2.7
314.15277	44.1
315.15634	3.7
323.55560	1.0
329.17596	100.0
330.17880	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Sarcostolide E
Peak:m/z	Relative Intensity
50.47856	1.1
52.94047	1.0
67.01911	1.2
68.00736	1.0
69.67208	2.4
69.67599	2.5
74.42309	1.1
75.18793	1.0
86.79611	1.2
87.62840	1.0
97.06613	6.3
103.82492	1.0
106.56670	1.1
107.70334	1.0
108.98083	1.2
134.03767	2.5
149.09683	1.7
150.06853	1.8
151.07664	1.9
151.11328	1.2
163.07712	1.5
165.09215	1.6
171.10260	3.1
175.07832	1.3
183.58969	1.1
187.07594	1.3
188.04692	1.2
189.05583	4.1
193.08781	4.1
200.08441	2.7
202.06468	1.4
203.07132	1.2
203.10870	1.2
204.07918	8.5
205.84558	1.1
207.13943	4.1
214.10059	1.3
215.07091	2.3
215.10606	6.5
217.08702	2.1
218.09492	3.4
229.12379	4.6
230.13052	6.0
231.10315	3.4
232.10999	5.3
233.11803	1.8
248.14105	3.8
259.13672	1.3
262.12006	1.6
268.14697	1.7
269.11664	1.2
271.13461	4.1
272.13721	1.4
281.11823	4.8
282.12637	2.5
283.09842	3.2
284.10632	1.3
285.11340	4.9
285.14838	2.5
296.14236	7.9
299.12906	88.2
300.13638	93.4
301.14084	8.7
311.16574	13.3
313.14517	2.2
314.15265	45.0
315.15598	3.5
329.17606	100.0
330.18002	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1763
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
52.49662	0.5
53.44523	0.5
58.64589	0.5
59.01373	0.6
69.35330	0.4
70.04666	1.2
70.05001	0.9
96.18354	0.5
97.06552	0.9
98.21967	0.6
120.12762	0.5
121.06667	0.5
125.03730	0.5
145.84996	0.5
175.04094	1.0
188.04813	0.7
189.05438	1.2
204.07950	0.9
207.13972	0.9
215.07187	0.7
215.10803	1.0
218.09479	0.8
231.10225	0.8
255.10246	2.2
257.15457	0.7
267.10336	1.0
269.11856	2.5
270.12509	1.2
281.11920	1.4
285.14993	24.6
286.15213	2.5
296.14133	0.7
299.01669	0.5
299.12921	8.7
300.13675	7.8
311.16519	9.4
312.16763	1.1
314.15286	4.4
327.16205	1.6
329.17603	100.0
330.17920	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03450	1.5
69.74191	0.5
69.74542	1.5
70.73390	0.3
71.05015	0.5
85.02925	0.7
97.06593	0.5
98.22591	0.6
99.08175	5.8
104.38372	0.4
121.10208	0.4
125.09734	1.0
127.11308	5.1
136.79301	0.4
137.09724	0.8
139.11308	13.9
140.11623	0.5
150.32817	0.4
155.10725	0.8
157.12369	1.2
167.14423	0.8
171.10284	28.3
172.10637	1.2
177.09210	0.6
178.29550	0.4
183.13901	2.8
183.15314	0.5
193.12439	0.9
201.11333	0.9
209.11914	0.6
211.13411	16.4
212.13759	0.7
229.14461	9.0
247.98412	0.5
293.21091	0.5
299.12897	1.8
300.13690	2.5
311.22134	0.8
314.15344	1.0
329.23355	100.0
330.17880	0.6
330.23679	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	330.1197
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01384	15.7
71.01387	6.7
72.99333	1.3
73.02950	1.4
80.05052	0.7
85.02962	3.5
86.00101	4.6
87.00880	20.1
89.02454	2.3
99.00867	1.0
101.02444	4.1
107.03793	2.5
108.04569	1.7
111.00908	1.8
113.02470	3.5
119.03559	1.8
119.34417	0.9
121.05354	5.1
122.06128	42.0
123.04536	2.2
123.06491	1.4
129.01846	1.3
130.08760	1.7
134.06113	4.5
135.03275	2.2
136.04073	1.2
136.07681	16.4
137.07935	0.8
141.01822	0.9
146.06171	1.8
148.04048	1.1
148.07718	1.7
149.04799	1.1
150.05611	100.0
151.04028	5.5
151.05972	3.4
152.07155	8.3
158.06076	1.1
159.01523	3.3
160.01613	1.6
161.04836	1.4
162.05646	3.5
164.07173	3.5
166.05154	1.0
168.06653	1.3
168.99916	0.9
169.05121	1.9
174.05649	2.5
175.06313	4.0
176.07155	8.6
187.01003	3.9
188.00677	4.5
189.00792	1.5
192.06723	2.4
194.08263	4.1
204.06654	2.8
222.07701	3.4
228.03482	1.0
252.08769	2.2
270.06580	2.3
312.10907	51.3
313.11197	4.3
327.94385	0.8
328.10736	0.9
330.11984	26.2
330.15228	1.2
331.12164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.72146	0.6
63.45506	0.7
69.03452	2.7
69.65900	2.1
71.52366	0.5
74.63303	0.7
79.01901	1.5
81.03455	1.2
83.01399	1.0
83.93209	0.6
85.02958	0.8
86.60445	0.5
90.90637	0.6
95.01391	0.9
97.02955	3.1
107.01366	1.7
115.92507	0.7
123.00879	4.3
124.01675	16.0
125.02459	63.3
126.02808	1.7
137.02463	0.8
142.53342	0.5
143.68111	0.6
149.99594	30.0
151.00296	2.3
165.97243	0.7
167.03455	0.9
168.00652	68.0
169.01326	5.2
313.05637	7.0
331.06720	100.0
332.06989	5.7
344.35413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56094	0.7
55.01876	1.4
59.01382	16.4
65.27739	0.6
71.01387	19.2
73.02968	3.1
83.01403	2.0
83.05022	0.7
85.02952	3.0
89.02448	10.6
95.01389	1.3
101.02451	11.0
106.00590	0.9
108.90146	0.6
109.02927	1.8
109.79398	0.6
111.00909	1.4
113.02438	1.4
119.03510	1.9
120.99648	1.1
121.02962	13.9
123.00873	6.5
125.02460	0.8
127.00384	1.8
127.04024	1.1
131.03551	1.4
132.04495	0.7
133.05077	0.9
135.04500	0.6
136.98862	1.5
137.02455	9.0
138.03233	7.4
139.00377	2.8
139.03940	0.6
151.06128	11.3
153.05591	18.7
153.09224	1.8
154.02707	1.0
155.03531	1.5
161.02406	1.8
161.04581	0.8
166.02632	0.7
166.99863	1.8
168.00639	2.2
171.10294	2.0
179.03496	1.2
180.00655	1.4
181.01384	3.1
182.02180	5.6
183.02997	6.4
195.02980	3.5
196.03816	2.0
197.04562	100.0
198.04933	4.1
210.01637	1.1
215.09253	9.0
225.04103	4.8
255.05083	1.2
285.06079	0.7
294.38632	0.9
316.07996	1.4
325.06186	0.7
331.06497	1.3
331.10373	13.6
331.13913	1.2
331.17398	1.0
332.10651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98260	0.5
66.03485	0.8
66.31169	0.5
68.01407	1.1
68.99802	0.5
88.41489	0.5
91.76292	0.5
94.02991	1.0
95.72465	0.5
107.05042	4.4
117.41533	0.5
131.04999	1.6
132.07843	0.5
133.02986	0.7
133.06602	5.5
141.46208	0.6
144.05742	0.6
145.05359	17.4
146.05736	0.7
147.04526	2.1
158.06129	7.0
160.01711	0.6
160.07686	6.5
161.06088	4.6
161.10060	0.8
172.03999	0.7
172.07675	0.8
175.04059	0.8
187.06404	14.1
187.07986	1.1
188.07184	100.0
189.07532	5.5
194.79372	0.5
210.09300	1.7
214.05046	0.6
215.05891	31.2
216.06657	85.8
217.06995	5.3
222.58235	0.6
226.08540	0.6
228.10281	3.7
228.96288	0.8
238.08699	3.5
254.08214	0.8
256.09854	2.2
299.10388	13.3
300.10651	1.0
331.12994	63.4
332.13367	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.14
Annotation	Strictoside
Peak:m/z	Relative Intensity
55.01874	3.4
55.79369	0.8
57.03449	4.1
59.01383	28.0
63.87792	0.8
69.03468	1.3
69.55126	3.5
71.01389	86.3
72.01723	1.5
72.99306	2.2
73.02951	26.1
74.02481	1.3
77.34921	0.8
81.03467	6.1
83.01392	9.6
83.05034	49.2
85.02958	33.0
87.00884	2.2
89.02454	9.4
93.03480	0.9
95.01385	7.4
96.02196	2.5
97.02947	2.2
97.06554	4.1
99.00885	10.7
101.02445	40.9
102.02745	1.3
107.05043	57.9
108.05376	2.1
109.06589	8.2
110.03762	4.5
113.02457	39.0
114.56247	1.0
116.05062	2.4
119.03526	1.3
125.02443	2.2
125.06095	100.0
126.06441	3.4
128.03540	9.4
129.01886	1.3
130.08754	0.9
133.06590	4.0
143.03500	4.0
151.07660	46.6
152.08032	1.4
153.09215	1.4
159.03003	10.9
161.04575	66.7
162.04855	2.1
169.08687	2.8
171.10269	2.8
173.93814	1.1
197.04567	1.8
198.46260	0.9
203.08263	2.7
215.09236	10.7
250.19987	0.9
331.13776	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	331.1402
Annotation	Gluroside
Peak:m/z	Relative Intensity
55.01873	2.4
57.03457	2.2
59.01385	100.0
65.65562	0.8
69.03468	1.0
71.01389	53.0
72.99318	2.5
73.02949	13.9
83.01389	5.5
85.02956	12.6
87.00879	1.6
89.02452	46.0
92.82551	0.9
95.01392	4.5
99.00887	2.9
101.02451	42.6
112.77604	0.9
113.01717	0.8
113.02457	19.6
114.12463	1.1
119.03519	19.7
127.00419	1.3
128.53235	0.9
131.03497	1.2
135.04570	1.5
143.03526	3.1
144.99667	0.9
145.01453	2.8
148.01144	1.1
149.04608	1.5
151.07652	14.4
159.02942	1.4
161.04573	4.2
183.10307	4.1
185.11844	8.2
259.27304	0.9
282.73764	1.1
287.15033	1.8
331.14023	83.2
332.14386	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03440	2.3
59.01384	7.0
71.01387	7.4
72.99321	1.4
73.02953	18.2
80.96493	1.2
82.16420	1.1
83.01386	3.4
85.02972	3.0
87.00890	17.2
89.02464	1.3
95.01420	1.5
96.96003	1.5
99.00908	5.0
101.02445	16.1
111.00901	9.7
111.08186	7.8
113.02455	4.1
125.09735	9.2
127.00350	1.4
127.11335	1.2
128.59334	0.9
129.01961	2.8
133.02876	1.2
135.04549	4.7
141.01961	8.4
145.01460	7.6
150.03291	1.4
159.03009	2.5
161.02502	1.9
169.03258	3.1
171.10287	100.0
172.10609	3.9
179.03520	2.9
185.11844	2.4
215.12888	2.3
241.10823	1.6
259.92902	1.1
268.12091	1.1
331.08542	1.8
331.17639	2.4
332.10077	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	331.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
57.03460	1.4
59.01389	14.2
69.23398	5.4
71.01387	7.9
73.02956	6.7
76.12268	0.9
80.96523	1.4
83.01402	2.8
85.02967	4.2
87.00889	16.2
88.18204	1.0
89.02455	2.4
94.26008	1.0
95.01415	1.4
98.21915	2.2
99.00869	1.8
101.02448	6.2
111.00906	9.1
113.02465	5.3
119.03542	1.3
123.00896	1.2
125.09728	15.5
129.01959	1.7
133.02968	3.2
133.69360	0.9
134.03769	1.6
135.04526	11.9
137.02446	1.2
141.01961	8.4
150.03249	5.9
159.03033	2.8
161.02483	6.3
161.04572	1.4
171.10287	100.0
172.10660	3.7
179.03510	9.3
199.11293	1.0
225.44672	0.9
227.07146	1.2
236.58357	1.1
241.10854	3.6
243.10303	1.8
287.09296	1.4
331.08804	2.2
331.12372	1.9
331.17715	1.8
332.09985	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36114	1.1
71.01385	34.7
72.01721	0.5
72.99317	0.2
100.66920	0.2
106.65848	0.2
115.00375	8.8
118.98055	0.3
122.65454	0.3
133.01443	0.9
152.59470	0.3
163.87563	0.3
169.16019	2.2
197.15474	0.9
213.15050	0.5
215.16528	100.0
216.16879	7.0
225.11578	0.3
331.19156	0.5
343.08057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
59.01384	100.0
69.57130	3.4
71.01384	7.5
73.02947	3.1
73.30703	0.8
82.47885	0.8
83.01390	1.1
85.02953	3.2
89.36915	1.0
94.99323	0.7
98.21931	1.4
99.00869	1.1
101.02451	3.9
113.02455	1.7
161.04533	2.7
169.17856	0.8
205.62889	0.8
237.55750	0.8
289.16489	3.4
293.15359	0.9
324.19373	0.9
331.19150	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	331.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63079	0.6
66.91177	0.6
67.01897	1.5
71.05022	5.0
83.05013	0.8
87.04527	1.1
88.33510	0.6
95.05051	3.7
109.02930	0.9
111.08142	1.0
121.02953	0.7
122.03635	0.6
123.08176	1.4
136.05330	0.7
137.09726	1.5
139.04041	1.2
139.51848	0.6
151.07668	3.2
151.11331	1.3
161.06087	0.7
163.07697	1.0
164.04828	0.7
165.09302	0.8
179.07204	1.9
179.10814	5.8
195.10286	8.0
201.09148	1.1
203.10789	0.7
206.09518	6.5
210.08945	1.1
219.10229	0.7
220.11180	1.6
231.14035	1.4
234.12645	8.5
235.13255	1.6
241.12421	0.7
243.13927	0.6
250.15775	2.4
269.15656	0.7
269.18982	1.4
270.16434	0.8
271.61737	0.6
273.14838	1.8
283.13449	1.3
287.13229	1.4
287.16571	4.3
287.19684	0.7
298.15750	11.0
299.16309	0.9
301.14304	2.2
302.15259	45.3
303.15674	3.9
305.51752	0.7
313.18079	4.4
316.16815	24.8
317.17154	2.0
330.14767	1.1
331.19162	100.0
332.19522	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	332.1254
Annotation	Oglufanide
Peak:m/z	Relative Intensity
58.02965	0.7
59.01377	2.0
70.02972	0.7
71.01386	1.8
71.32732	0.6
71.39475	0.5
72.00915	2.3
74.02480	7.9
82.02991	2.2
84.04552	2.4
85.02944	0.7
85.04091	1.3
87.29436	0.5
95.02576	0.5
97.04060	0.6
101.02495	0.7
101.07199	1.7
104.03558	0.6
109.04092	2.3
112.02792	0.7
113.03596	1.0
115.00334	0.7
116.05074	18.2
117.05369	0.5
119.03493	0.7
123.05668	2.5
127.05150	8.3
128.03552	100.0
129.03886	2.1
137.09671	0.6
141.06721	6.9
142.06630	5.0
155.10782	1.0
157.07692	0.8
159.09271	4.7
167.04639	11.6
185.05684	4.6
186.05687	0.8
199.09814	1.2
203.08279	33.2
204.08626	1.5
205.12361	0.6
216.09610	0.7
217.10849	5.5
230.22112	0.5
242.13173	0.5
246.19872	0.5
270.12506	3.2
274.47131	0.5
314.11484	13.0
315.12125	0.6
332.12564	5.2
332.16220	1.1
333.15909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23630	81.1
69.24041	75.9
70.49657	23.5
73.19815	25.8
81.89326	25.5
82.83315	27.1
83.79256	28.1
99.29047	31.2
110.03730	29.6
121.06593	29.6
135.04562	100.0
161.02475	29.7
179.03513	35.1
199.18271	26.2
219.17166	27.6
249.08484	28.6
294.50943	34.0
333.08701	46.2
333.17050	31.0
333.20676	67.0
336.50552	29.3
342.87805	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29900	2.8
57.47274	3.0
59.01382	13.4
59.42687	2.8
69.92976	6.8
71.01379	9.0
75.48955	2.8
78.52560	2.6
78.95441	4.8
78.95910	100.0
85.02931	4.1
87.00885	4.0
88.04042	9.6
89.02458	21.8
96.96967	22.8
101.02481	4.5
103.00333	2.8
103.91025	2.3
111.05574	3.5
119.03493	2.6
125.02453	7.3
133.61148	2.9
146.08209	4.9
152.98366	4.1
152.99606	66.9
160.06154	4.4
165.29803	3.0
170.01149	3.4
171.00612	7.6
218.10318	6.0
241.01201	34.1
297.11938	10.2
314.93008	4.1
333.05933	79.7
333.09451	5.3
334.08252	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	333.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26982	0.9
55.01883	5.0
57.03449	2.9
59.01382	16.2
69.03458	1.1
70.46740	1.8
71.01385	12.0
72.99316	6.8
73.02951	80.9
75.00866	2.1
83.01396	18.1
84.50288	1.2
85.02959	2.1
87.00879	1.5
89.02455	2.9
92.65618	0.9
95.41695	0.9
97.06616	3.8
99.00888	6.7
101.02452	73.1
102.02779	1.2
103.00404	1.0
109.06618	1.3
110.70290	0.9
111.08165	7.5
113.02441	2.4
119.03532	1.1
121.02167	1.0
123.08192	2.4
125.09738	32.1
126.10079	1.6
127.00385	8.5
127.07703	1.0
127.11309	1.9
135.04498	1.6
143.78105	1.0
145.01443	43.6
146.01813	1.4
155.10695	1.0
157.08745	1.9
163.02531	2.0
169.08690	1.0
171.10283	100.0
172.10664	4.9
179.03532	1.5
187.09785	24.6
201.11340	1.4
211.09769	3.4
213.11189	1.2
217.10793	1.7
225.11403	1.0
228.98311	1.0
229.10858	2.8
235.73335	0.9
325.32648	1.1
333.11978	2.7
333.15588	22.6
334.15927	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03452	1.4
57.52899	0.3
59.01384	4.9
69.03472	0.3
71.01389	3.6
71.40711	0.3
72.99319	1.2
73.02953	12.2
83.01407	2.8
85.02960	0.7
87.00858	0.6
89.02462	1.1
95.01396	0.3
97.06606	0.4
99.00903	1.0
101.02456	11.0
109.06580	0.4
111.08167	7.6
113.02474	0.9
123.08251	0.3
125.09739	15.2
126.10086	0.6
126.11071	0.3
127.00408	1.1
127.07658	0.5
127.11291	0.7
135.04535	0.5
145.01447	5.8
153.09193	0.5
161.04604	0.3
163.02394	0.4
171.10284	100.0
172.10634	4.2
185.11890	0.6
187.09767	4.4
201.11424	0.3
211.09755	0.4
213.11414	0.4
225.11357	0.7
241.09888	0.6
245.08044	0.4
256.66849	0.3
333.09766	0.3
333.11987	0.4
333.15625	7.4
333.19617	0.4
334.15845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03464	1.7
58.00601	1.3
59.01385	100.0
60.01698	1.2
69.18328	5.9
71.01388	42.6
72.99339	1.3
73.02956	1.6
81.35094	1.1
83.01370	2.6
83.95752	1.0
85.02951	7.1
87.00896	1.2
89.02451	42.9
95.01408	3.6
101.02454	25.2
101.03111	1.6
113.02470	14.2
119.03503	17.7
125.09767	1.3
131.03528	1.3
153.09225	51.2
154.09526	1.6
161.04509	1.3
171.10303	4.6
173.29187	1.0
179.05571	1.8
333.15573	81.8
334.15933	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	333.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03450	0.7
58.00600	0.4
58.97643	0.2
59.01385	22.0
60.01738	0.4
62.82887	0.2
68.99780	0.3
69.03445	0.2
69.69464	0.2
71.01388	9.4
71.39244	0.2
72.99331	0.6
73.02950	3.6
83.01395	2.8
85.02473	0.3
85.02962	5.1
86.00117	0.3
86.03320	0.2
87.00901	1.3
89.02450	3.0
95.01405	0.8
97.02996	0.3
99.00884	0.9
101.02455	6.7
102.02788	0.3
111.00889	0.8
113.02451	2.8
116.64786	0.2
119.03526	0.8
123.04462	0.2
125.02451	0.5
125.09731	5.8
129.01953	0.2
133.02939	0.7
134.03680	0.2
135.04544	6.0
136.04872	1.9
141.01952	0.2
153.09238	0.9
159.03044	0.3
161.02463	1.9
161.04587	0.3
162.02821	0.4
171.10287	26.3
172.10629	1.2
179.03511	3.6
179.62384	0.2
180.03891	1.3
185.11870	0.3
213.11327	0.5
270.02042	0.2
315.14578	1.1
332.60306	3.8
333.15576	100.0
334.11905	0.4
334.15918	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	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13601	0.5
55.01883	2.4
57.03458	1.2
59.01386	25.0
69.03448	0.7
71.01388	17.1
72.99288	0.9
73.02949	7.9
76.36562	0.5
83.01402	4.6
85.02959	11.4
86.60617	0.5
87.00873	1.7
89.02454	3.9
95.01363	1.1
99.00890	1.6
101.02445	16.9
102.28595	0.5
102.84966	0.4
111.00902	0.9
113.02453	5.6
119.03477	0.9
125.09705	3.5
153.09186	1.1
159.02994	0.8
161.04553	2.6
171.10283	20.1
172.10652	0.8
185.11913	1.2
203.10970	0.6
213.46626	0.5
217.10818	0.5
289.16641	1.9
315.14392	0.6
333.15552	100.0
334.15839	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	333.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29706	0.3
57.03447	0.3
60.04325	0.3
60.99289	0.3
63.60150	0.3
68.99830	0.6
69.17814	1.9
71.01409	0.4
71.05082	0.4
81.07100	0.4
83.05087	0.4
87.73980	0.3
95.05024	0.4
97.06612	0.7
107.05022	0.5
108.02168	0.3
109.06611	0.7
119.08593	0.3
121.02975	4.3
122.03755	6.7
123.04545	3.1
123.08253	0.3
129.04695	0.3
130.73419	0.3
133.04094	1.4
133.06590	0.6
133.58853	0.4
135.04538	2.0
135.08176	2.7
136.05322	3.3
149.06053	0.4
155.10815	1.0
157.04129	2.8
161.03619	1.9
165.12926	0.5
171.04591	1.6
173.09729	0.7
185.03601	0.8
189.12881	1.4
191.14442	0.6
193.16039	0.6
201.03098	1.9
201.16560	0.8
203.18021	2.0
205.12306	0.6
214.03752	0.7
217.12146	2.4
218.12439	0.4
219.13956	3.2
219.17603	0.6
221.19112	5.3
229.02580	1.3
233.11459	0.4
241.15790	1.0
245.15408	0.8
246.16161	0.4
247.17044	35.4
247.90793	0.3
248.17441	3.4
251.16440	0.9
261.14984	0.4
261.18289	0.9
269.15216	0.9
271.16858	2.3
271.20697	11.1
272.21030	1.0
273.14914	0.5
275.16678	0.3
287.16357	1.3
289.17917	13.4
289.21658	1.4
290.18265	1.2
300.13504	0.9
305.09348	2.0
315.15793	100.0
316.16138	8.8
333.08865	9.2
333.16916	34.0
333.20700	5.1
334.09143	1.0
334.17206	3.4
334.21011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
69.03472	1.6
70.51315	2.0
70.51665	1.6
71.01391	2.4
81.03460	1.7
85.02959	69.2
85.06628	1.4
86.03307	2.0
97.06581	13.0
97.07024	1.3
99.04531	4.0
111.04457	3.9
121.06662	1.9
122.03746	1.6
123.04534	5.7
123.08186	6.1
135.04555	4.5
137.06117	3.6
137.09711	2.4
146.21776	1.7
149.06123	4.5
149.09741	2.1
150.06889	6.3
151.07660	7.0
162.06912	5.1
163.07643	2.8
165.09219	32.2
173.09752	2.4
178.06348	5.1
178.09998	1.7
191.10791	14.0
193.05132	2.6
193.08670	20.8
204.07938	5.4
217.08659	4.8
218.09474	3.3
219.10262	11.6
227.10860	1.6
229.12338	3.3
230.09528	1.8
231.10228	1.6
231.13838	1.6
232.11078	9.9
233.11893	6.4
235.13412	53.6
236.13843	4.0
241.12323	2.7
245.11824	2.9
245.15504	5.3
246.12642	2.3
247.13521	6.7
248.14189	100.0
249.14552	10.2
259.13406	18.9
260.14175	48.9
261.14597	6.8
271.17038	9.5
273.14938	3.2
274.15695	13.9
282.12711	1.5
289.15036	2.5
289.18124	57.6
290.18518	6.2
303.12473	14.9
303.15811	3.2
304.13196	2.9
304.16696	3.0
315.15991	8.6
318.14822	7.8
318.18207	3.0
333.08731	3.4
333.17114	98.4
333.20615	7.5
334.17499	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	333.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	5.6
58.02980	100.0
59.01359	2.5
72.00899	1.8
82.06607	3.9
91.05532	15.5
91.75726	2.1
97.06599	2.8
98.99618	2.9
109.39967	2.0
111.81036	1.9
112.07644	2.4
116.05071	93.8
117.05399	6.2
118.06618	18.5
119.05013	8.8
123.09299	30.6
126.09244	6.5
128.05022	1.6
129.10356	34.1
132.08177	2.8
133.04085	4.5
137.10838	3.9
139.08780	17.4
140.10802	3.9
141.10294	3.0
145.03026	1.8
146.06129	4.1
147.04544	4.1
153.10306	3.0
154.08707	3.5
157.04092	3.9
161.03645	2.1
163.04013	10.5
167.08267	1.8
171.04466	6.2
171.11407	51.3
172.07677	5.3
172.11780	2.7
172.91272	2.0
174.05621	23.1
174.09172	3.2
183.11365	3.5
187.09766	5.3
195.73160	1.8
198.12971	8.4
200.11612	2.2
201.03055	5.9
209.55199	1.6
210.10091	12.8
215.15579	15.5
216.14032	2.0
231.15030	5.2
233.84698	1.9
242.11871	96.1
243.12186	8.1
248.14206	11.5
257.16623	50.0
258.16922	4.0
259.14539	25.8
260.14566	1.7
269.04657	2.9
291.17249	14.3
301.15613	58.7
302.15857	4.9
305.09378	3.8
333.08807	17.6
333.17636	15.9
359.92209	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	333.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.85554	0.9
64.73963	1.0
69.90911	1.7
69.91280	1.9
71.01396	4.9
71.88406	0.9
73.02943	2.9
73.52943	0.9
73.97927	0.8
82.85485	1.0
85.02976	2.4
96.88136	0.9
96.96059	1.0
101.02456	4.7
113.02444	2.3
151.71744	0.9
157.81067	0.9
161.04694	1.4
174.11287	1.1
208.51743	1.0
291.18182	4.7
305.09634	1.1
328.48004	1.0
330.82242	1.0
333.08624	2.1
333.20706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	Enanderianin P
Peak:m/z	Relative Intensity
55.01892	1.2
57.03445	0.9
57.57916	0.9
59.01380	3.3
61.40783	0.9
62.84255	0.9
69.16894	3.3
69.17300	1.8
83.05032	4.2
85.02952	2.8
85.06605	3.4
90.20982	0.9
97.06613	8.9
118.39397	1.0
123.04550	6.5
123.08182	2.4
125.09743	2.6
134.03778	1.1
137.09718	1.6
149.06099	5.0
149.09715	2.6
150.06892	2.4
151.07654	1.5
151.11293	1.5
154.39438	1.0
155.10747	1.5
159.08112	1.0
163.07634	2.9
165.09215	5.7
175.07654	1.2
177.05637	2.0
177.09155	2.4
178.06328	7.4
178.09966	4.1
184.04164	1.0
189.05542	3.1
189.09213	2.8
191.10748	1.6
193.05090	3.2
193.08719	25.1
194.09030	1.6
200.08432	1.0
201.08838	1.0
204.07919	12.2
205.08812	1.1
205.12372	3.1
206.13197	2.1
207.13899	7.9
212.37489	1.0
215.10826	2.0
216.07930	1.8
217.08702	9.1
217.12245	2.1
218.09476	3.7
219.10262	16.3
220.11061	1.5
230.13219	1.6
231.10283	2.4
232.11061	21.9
233.11732	8.7
234.12602	3.7
235.13420	14.3
240.11523	4.7
243.10284	1.2
243.13898	5.2
245.11916	2.4
246.12596	5.8
247.13380	17.1
248.14188	100.0
249.14522	9.0
255.13966	3.2
259.13422	1.9
259.17062	6.2
260.14102	2.9
271.13498	1.9
272.13925	1.1
273.14987	11.0
274.12219	4.0
274.15759	9.5
275.16513	2.0
285.14908	3.1
285.18607	3.8
286.15497	1.5
287.16870	1.0
287.20071	1.5
288.14328	1.1
288.17358	4.1
289.14798	0.9
289.17993	4.9
303.12573	2.1
303.16031	39.6
303.19696	20.6
304.16803	51.3
304.19894	1.8
305.17059	5.1
315.19669	4.4
317.17535	1.3
318.14655	2.5
318.18378	39.1
319.18640	2.7
333.17426	4.2
333.20721	97.2
334.20999	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	333.2073
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
57.03448	6.5
58.04618	1.0
65.20547	1.0
69.03458	3.2
69.47390	2.3
69.47776	3.4
81.03447	2.4
83.05033	12.7
87.34699	1.1
89.73219	1.0
97.06578	1.3
99.00882	2.7
107.05045	5.0
114.00933	1.2
133.04063	1.0
137.09853	1.3
147.08194	2.4
150.06958	1.4
151.04065	1.0
158.69737	0.9
164.08516	1.3
171.04527	2.4
171.11806	6.6
173.13361	1.9
189.12875	1.5
189.46703	1.2
197.13536	1.1
201.03180	1.3
201.16650	1.3
203.14342	2.7
212.29109	1.2
237.16612	3.1
241.16084	2.0
243.21271	1.8
253.19751	2.2
255.17574	9.4
271.20679	48.4
272.20990	5.3
273.18613	1.1
289.21747	82.3
290.22128	8.2
305.09210	1.4
305.21286	1.4
315.19547	2.3
333.09192	5.8
333.20734	100.0
334.21109	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	333.2073
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
57.03450	7.2
57.16465	1.2
69.03461	3.2
69.34219	5.6
83.05041	14.5
99.00919	1.7
107.05036	5.3
133.04071	2.7
137.09732	1.7
147.08195	2.0
157.04112	1.7
171.04549	3.5
171.11855	6.1
173.13441	2.3
189.12854	2.3
203.14449	2.3
205.16042	1.4
217.16135	1.7
241.16008	3.3
253.19792	2.9
255.17569	8.7
256.18005	2.3
271.20700	51.4
272.21072	5.0
289.21753	79.3
290.21942	6.7
305.09326	2.4
305.21313	1.4
315.19553	2.6
333.08810	12.5
333.20758	100.0
334.09186	2.2
334.20975	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	333.2075
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
50.64645	0.9
50.65741	0.9
53.44677	1.3
65.84783	0.9
68.99822	1.6
69.78988	3.1
98.21985	1.2
105.04627	1.1
133.04079	3.2
147.38394	1.1
157.04088	4.4
158.05002	1.5
161.03598	2.3
171.04570	4.4
201.03119	4.4
220.14749	1.6
221.15515	2.3
229.02545	1.8
245.92772	1.0
289.21756	100.0
290.22186	10.4
305.09308	4.5
315.19727	4.0
333.08868	15.6
333.20737	91.5
334.09134	1.6
334.21082	9.6
340.18808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
56.42750	0.4
57.12575	0.4
70.25164	0.7
70.25475	0.6
81.07102	1.7
96.30221	0.5
105.07098	1.0
155.08714	0.7
157.04054	0.4
169.22498	0.5
173.09703	0.8
189.12860	4.5
196.46805	0.4
203.10780	1.0
216.10994	0.5
231.13846	0.4
233.11835	24.0
234.12209	1.6
303.19748	1.4
317.17911	0.6
333.20718	100.0
334.21039	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76427	0.9
56.88369	0.9
57.03453	5.5
60.22268	1.0
69.03458	3.6
70.73167	1.4
70.73508	1.3
79.05563	1.2
83.01379	1.8
83.05035	21.6
95.05038	3.2
96.36994	0.9
97.06602	22.0
98.89085	0.9
111.04522	6.7
113.02471	4.8
113.79241	0.9
130.32822	0.8
135.08118	1.3
135.51292	1.1
139.32108	0.9
151.63416	1.0
157.04079	1.4
161.03641	1.0
171.04546	1.6
190.10114	1.2
201.03140	2.2
235.72798	1.2
249.81337	0.9
255.17717	1.6
271.20679	17.8
272.20981	1.1
281.31458	1.0
289.21732	2.9
305.09348	1.3
315.19528	5.4
333.09122	5.0
333.20749	100.0
334.07327	5.3
334.21100	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	334.1697
Annotation	Hydroxychloroquine
Peak:m/z	Relative Intensity
59.01348	2.4
59.01626	0.6
60.22734	0.6
64.73401	0.6
67.51128	0.6
70.46978	0.7
71.01360	2.6
73.02926	0.8
85.02939	1.5
86.02486	6.4
92.12889	0.7
96.96058	0.9
101.02448	1.5
179.03465	0.7
183.13951	4.6
185.11827	1.5
186.12134	1.5
195.13887	6.8
201.09491	0.7
211.13405	2.0
213.14977	41.0
214.15286	2.8
229.12634	2.4
247.13736	100.0
248.14090	5.4
311.81516	0.6
334.16953	53.9
335.17331	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	334.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23663	4.3
57.03448	11.3
59.31025	3.4
69.80663	8.0
83.05025	23.5
93.03461	8.5
94.06635	5.2
96.04554	45.8
97.06582	8.3
106.04235	23.9
107.05038	15.0
109.06613	5.7
112.07698	100.0
125.54241	5.0
177.12862	54.0
203.10780	60.2
221.11830	47.3
232.38820	4.6
237.14989	55.2
239.12979	4.9
247.13554	19.3
272.20142	9.0
275.31818	4.0
282.33511	4.6
298.17856	20.6
316.19159	57.6
317.19626	6.4
334.08978	8.0
334.20300	64.6
335.15161	8.8
335.22327	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71625	0.3
52.30882	0.4
58.93703	0.4
59.01375	0.6
60.62106	0.4
70.73730	0.4
70.74078	0.5
71.01387	17.0
97.02962	21.6
98.03303	0.9
115.00383	8.6
121.02969	100.0
122.03316	2.7
128.83148	0.4
133.06587	1.0
135.04512	0.8
157.06592	0.6
159.04555	0.6
175.07648	1.2
209.92825	0.4
219.06630	3.9
301.99222	0.4
326.43762	0.4
355.57611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19481	0.6
57.03439	1.2
57.33148	0.5
59.01377	1.1
60.99245	0.5
69.17853	3.6
72.97529	0.8
74.99104	0.8
75.77621	0.5
79.95731	0.8
83.05021	0.8
85.02970	0.8
89.04004	0.6
90.98599	100.0
96.02168	1.0
96.96027	3.7
98.21880	1.3
99.04547	0.6
99.39810	0.5
105.43255	0.7
111.04512	4.4
116.53272	0.6
127.29480	0.7
129.03841	0.7
135.08171	2.3
145.03305	2.2
145.06143	0.7
161.06070	0.7
163.07677	1.7
185.06140	1.0
200.81181	0.6
201.03862	1.2
203.05391	0.7
209.09773	1.6
211.11348	0.9
221.09703	2.3
223.01323	0.6
239.10771	3.7
243.08415	1.1
273.09579	1.7
283.09769	1.7
291.16275	0.6
317.08597	0.8
335.09338	4.8
335.15118	1.1
335.18613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82587	0.2
57.03447	0.4
59.01384	0.6
69.70459	0.2
71.01386	0.4
71.05038	0.2
74.99092	0.3
79.74176	0.2
79.95737	1.6
83.05034	0.4
85.02966	1.2
85.06579	0.3
87.04546	0.2
90.98602	26.7
96.02210	0.2
96.96021	100.0
97.95953	0.4
106.96732	0.2
107.05043	0.2
108.32806	0.2
109.06612	0.2
111.04514	1.5
115.73108	0.2
124.79113	0.2
127.07664	1.2
129.03853	0.3
135.08170	0.5
143.10826	0.2
145.03282	0.6
147.02945	0.2
149.15274	0.2
159.08174	0.3
163.07639	0.5
191.01965	0.3
201.03828	0.3
209.09808	0.3
221.09833	0.3
237.15009	0.2
239.10869	0.8
243.08585	0.2
255.16016	2.4
283.09927	0.3
330.64053	0.2
335.11771	33.6
336.12119	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
57.03444	1.3
59.01090	0.6
59.01388	13.2
68.99800	0.4
71.01392	10.7
72.99305	0.6
73.02957	3.7
75.00894	0.5
83.01391	2.7
85.02959	4.7
86.00109	0.4
87.00893	1.9
89.02444	1.1
95.01408	1.0
97.02953	0.4
99.00903	1.2
100.37489	0.3
101.02450	6.0
111.00902	1.0
112.01711	0.4
113.02446	2.3
116.27509	0.3
118.70415	0.3
125.02452	0.4
127.11271	1.7
128.65561	0.4
149.19498	0.3
155.10782	1.0
173.11839	35.4
174.12177	1.9
185.11754	0.4
187.13344	0.6
215.12979	0.4
260.21616	0.4
317.15961	3.9
335.17145	100.0
336.17487	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	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11337	0.2
53.65897	0.2
54.72629	0.2
55.01890	1.5
57.03454	1.0
58.00602	0.4
59.01387	13.7
60.01702	0.2
69.03457	0.3
71.01389	11.7
72.99317	0.9
73.02955	3.5
83.01398	3.0
85.02964	5.3
86.00121	0.3
87.00888	1.5
89.02469	1.2
95.01395	0.7
97.02950	0.5
98.22700	0.4
99.00874	1.0
100.76667	0.2
101.02453	6.7
111.00895	1.2
112.01697	0.5
113.02444	2.4
119.03476	0.3
121.06664	0.2
124.01669	0.4
125.02430	0.5
127.11304	2.1
129.02005	0.3
141.01970	0.3
155.10802	1.3
155.15182	0.2
159.03009	0.2
171.10274	0.4
173.11847	38.8
174.12180	1.9
185.11859	0.5
187.13420	0.6
213.11180	0.2
215.12941	0.6
291.12650	0.2
317.16122	3.0
318.16586	0.2
318.55792	0.2
335.17151	100.0
336.17517	8.8
336.21606	0.4
350.46030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
55.99601	0.9
57.16512	0.9
58.44298	0.9
59.01385	100.0
60.01693	1.1
67.42072	0.8
71.44969	1.3
81.37540	1.1
115.50704	0.9
138.97845	0.9
150.58926	0.8
162.31511	1.0
231.21205	1.9
275.20193	21.4
276.20511	2.1
293.21292	11.8
294.21851	1.3
335.18677	1.4
335.22287	12.3
340.03226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94504	1.2
52.99221	1.1
59.01381	1.3
63.60660	1.1
69.61419	1.3
71.40932	1.3
76.54134	1.2
81.07094	3.6
85.02960	2.5
85.06586	7.0
96.73134	1.3
97.06573	3.2
102.35007	1.2
125.09647	1.4
129.51801	1.1
137.06067	1.4
144.79916	1.3
165.09242	1.5
191.14400	1.2
193.08740	2.6
201.09172	3.1
202.09979	3.9
204.07964	1.4
205.08717	19.0
217.12318	15.8
218.44955	1.2
219.10231	6.4
220.11052	45.0
221.11513	3.7
235.13400	100.0
236.13721	7.4
296.02420	1.4
299.20126	2.2
317.21359	1.7
335.15433	5.9
335.18637	2.1
335.22296	28.7
336.22461	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	335.223
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
57.03452	29.7
58.03802	0.3
59.01365	0.4
59.86845	0.3
63.94755	0.3
69.03442	1.0
71.39123	0.3
81.07099	1.7
83.05048	0.6
85.02958	1.0
95.59209	0.4
98.47762	0.4
109.06584	0.6
137.09674	0.4
157.10306	0.6
158.50597	0.3
161.09689	0.5
173.13391	0.6
175.11371	0.4
177.12881	2.4
189.12894	0.5
203.18040	0.8
210.31393	0.3
243.10373	0.4
249.11217	0.5
253.19852	0.5
257.19037	0.5
261.22214	2.0
273.22253	4.3
275.20154	0.4
276.11615	0.4
287.20148	0.5
291.19653	0.9
291.23367	1.7
299.20178	3.7
300.20782	0.5
301.17798	0.4
305.21173	1.4
317.21231	12.9
318.21567	1.1
319.19193	1.4
335.15314	2.9
335.22293	100.0
336.22635	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	335.2232
Annotation	2alpha,3alpha,4beta-Trihydroxy-ent-cleroda-13(16),14-diene-15,16-oxide
Peak:m/z	Relative Intensity
55.69602	2.2
56.08860	2.3
59.50968	2.5
61.98826	5.7
68.40858	2.3
68.41214	2.2
122.31964	2.5
143.73787	3.0
151.02005	2.7
166.08130	2.3
170.88387	3.5
192.95865	5.9
194.92798	2.9
216.06470	2.5
221.15477	5.1
291.10358	5.4
291.19702	100.0
292.19986	12.2
317.21204	17.9
335.22302	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	335.2232
Annotation	11H-14,15-EETA
Peak:m/z	Relative Intensity
54.70238	1.9
57.03444	7.7
59.01382	2.4
59.20122	1.7
60.99310	5.0
70.41006	4.2
81.07103	87.9
82.07481	2.3
83.05016	2.2
85.06620	2.7
88.48080	2.0
89.69691	1.7
95.05045	3.5
97.06613	4.9
98.21991	2.0
107.99194	2.0
110.98602	1.9
115.07658	3.8
122.35703	2.3
135.11838	8.8
148.73160	1.8
151.11320	15.7
163.11305	3.8
173.13383	2.6
189.12895	3.9
191.14436	27.8
255.21329	3.7
261.22256	38.2
262.22531	4.6
273.22260	25.3
279.23383	5.5
304.25708	2.4
305.21286	8.6
317.52594	2.0
335.15375	4.0
335.22278	100.0
336.22549	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	337.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	68.9
64.16701	16.7
67.05480	13.0
69.85303	30.8
69.85619	19.3
71.01386	21.6
77.68366	17.2
78.95905	32.7
85.02944	100.0
91.03699	13.7
93.03452	21.7
98.21973	15.8
98.40746	14.5
119.05034	24.7
133.70958	15.8
136.93993	25.1
137.02451	57.5
148.23590	14.9
153.01923	21.8
163.04012	29.9
165.10330	14.4
172.73373	15.0
177.42941	14.0
178.95029	16.7
191.02051	20.0
192.95926	26.7
192.99919	21.5
194.95570	34.4
205.29492	15.8
208.93811	26.6
226.08359	34.9
250.94981	32.8
252.93140	16.8
294.93878	50.9
300.51065	17.9
302.81085	15.3
311.07401	17.6
336.94479	33.4
337.04071	31.5
337.07681	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.51235	0.4
52.62132	0.4
57.03449	0.5
59.01387	2.8
60.99302	1.2
60.99918	0.4
65.66763	0.4
67.01894	4.4
69.03451	1.3
69.54290	1.5
71.01381	1.9
71.04987	0.4
81.03458	0.7
83.05061	0.6
84.38049	0.4
84.88335	0.4
85.02959	5.7
85.90938	0.4
87.00885	5.5
93.03467	22.3
94.03802	0.8
99.00887	0.6
109.02985	1.2
111.04538	3.5
113.02535	0.6
119.05042	6.9
127.04008	1.6
129.01926	0.9
129.91714	0.4
133.77605	0.4
145.02925	1.2
155.03513	0.9
163.04022	7.0
171.02971	0.6
173.04572	7.9
173.61526	0.5
191.05630	100.0
192.06015	3.7
301.98740	0.4
318.90549	0.4
337.09296	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1086
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
60.46052	0.7
61.43257	0.7
62.08408	0.7
63.50493	0.7
63.81242	0.8
66.14496	0.8
67.46483	0.6
69.11250	4.6
93.03471	0.7
96.85509	0.7
96.96022	46.7
104.51010	0.8
105.66285	0.7
127.07674	1.0
143.53105	0.7
145.02966	2.4
161.02551	0.9
162.03233	1.2
163.04124	0.8
177.05602	4.2
195.08150	2.9
206.07355	1.9
207.08121	4.6
208.05316	0.8
209.06102	0.7
221.06104	1.8
222.06859	2.0
223.07544	3.5
233.06198	1.6
234.06837	4.6
235.04004	2.0
235.07660	12.8
236.04756	0.9
236.08002	1.5
237.05618	3.4
247.07472	0.8
250.06346	2.2
251.07153	10.4
252.07375	1.3
257.04001	0.9
261.05493	1.8
262.06366	2.3
263.07089	6.7
264.07712	1.0
266.09546	6.2
278.05795	3.8
279.06641	85.3
280.06924	6.2
290.05771	2.6
291.06653	37.9
292.07352	10.2
293.08252	3.5
294.09009	9.4
305.08084	5.2
306.05954	0.7
306.08975	28.2
307.06165	100.0
307.09457	6.3
308.06479	10.4
310.59650	0.7
321.07709	6.3
322.08478	65.5
323.08841	6.3
337.10495	51.3
338.10889	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	337.1085
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
51.01613	0.6
69.17449	2.2
69.17853	0.9
130.08743	3.5
145.02942	1.7
157.03032	0.7
161.02368	0.8
162.03244	1.7
171.04529	0.7
177.05598	3.4
179.08635	0.8
180.05827	1.1
192.69763	0.6
195.08148	2.2
204.05806	0.7
205.06636	1.3
206.07327	2.3
207.08147	5.8
209.06044	1.1
217.06702	1.1
221.06082	1.1
222.06834	1.8
223.07623	5.7
225.05498	0.6
233.06116	2.2
234.06949	3.6
235.04060	1.2
235.07643	14.3
236.04675	0.8
236.08054	1.1
237.05557	2.9
245.06169	1.0
249.05655	1.2
250.06378	4.2
251.07143	11.9
252.07378	1.2
261.05579	1.7
262.06274	2.6
263.07104	7.2
264.07666	1.0
266.09485	4.1
267.09848	0.7
278.05850	2.8
279.06644	89.1
280.06998	8.8
289.05197	0.9
290.05917	2.1
291.06647	35.5
292.07343	9.2
293.08145	3.9
294.09024	8.0
305.08325	5.0
306.08978	27.0
307.06165	100.0
307.09518	6.9
308.06491	8.9
321.07666	6.5
322.08466	63.6
323.08832	5.4
337.10828	56.6
338.11136	7.4
338.19736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.4
71.01407	1.4
74.56255	1.0
79.95752	2.2
96.96021	51.0
98.21889	2.0
117.89457	1.0
145.02953	1.6
162.03299	2.4
177.05600	4.0
195.08156	2.3
206.07405	1.9
207.08232	5.6
221.06096	1.7
221.15471	1.6
223.07675	4.6
233.06032	2.0
234.06853	3.4
235.03970	3.5
235.07643	12.4
237.05540	3.9
240.01567	1.3
250.06439	2.1
251.07190	12.3
252.07587	1.3
257.17670	1.1
261.05560	1.7
262.06488	1.9
263.07080	7.6
266.09518	5.5
278.05902	4.6
279.06641	84.7
280.07126	6.6
289.05237	1.2
290.06119	1.5
291.06671	35.2
292.07318	11.4
293.08035	2.4
294.08990	8.7
301.22070	1.1
305.08279	4.3
306.09006	31.0
307.06168	100.0
307.09491	6.1
307.22827	2.6
308.06375	9.8
319.22778	4.5
321.07721	7.5
322.08484	66.6
323.08807	6.6
337.10440	48.2
337.23874	96.7
338.10703	5.1
338.24167	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	337.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80528	0.2
56.49923	0.2
59.01378	0.3
65.07674	0.2
71.01396	0.2
78.88702	0.2
79.95744	1.6
91.52211	0.2
96.96019	100.0
97.95943	0.2
101.50070	0.2
109.06676	0.2
127.07652	1.0
129.09206	0.4
167.10966	0.2
195.08340	0.2
206.04836	0.2
207.08218	0.3
221.11874	0.2
223.07652	0.2
234.06845	0.2
235.07719	0.4
237.05605	0.2
251.07219	0.6
257.17633	1.8
263.07175	0.2
278.06094	0.2
278.14059	0.6
279.06677	3.0
280.07062	0.3
291.06662	1.6
292.07550	0.4
294.09244	0.4
305.08459	0.2
306.09003	1.2
307.06177	4.0
307.09464	0.3
308.06537	0.4
321.07565	0.3
322.08493	2.6
323.08856	0.3
337.13373	37.5
338.13477	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90211	0.2
59.01367	0.5
59.98663	0.3
74.99097	0.7
77.00692	0.3
77.87888	0.2
78.46537	0.3
79.95737	1.6
96.96020	100.0
97.95943	0.4
99.04528	0.5
99.08199	0.4
109.02950	0.8
127.07681	1.7
129.09195	0.6
161.06142	0.7
189.05844	0.3
219.50575	0.3
220.05067	0.3
223.16594	0.3
235.07677	0.3
257.17535	1.9
261.11316	0.7
279.06708	1.7
291.06741	1.0
293.28204	0.3
306.09073	0.6
307.06250	2.8
322.08371	1.4
337.13339	35.1
337.23874	2.8
338.13617	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47621	1.0
59.01383	100.0
62.50668	1.1
64.66686	1.2
69.15582	5.3
71.01392	10.6
73.02906	1.2
79.76003	1.0
81.63319	1.0
85.02955	13.0
89.02457	12.8
98.22622	2.3
101.02455	4.0
108.85619	1.0
111.00886	2.3
113.02463	4.8
114.13380	1.0
119.03496	3.5
119.05038	2.5
145.02954	4.3
147.03009	5.2
161.04561	1.9
163.03970	2.4
179.05620	2.1
191.02007	3.1
191.05635	2.1
265.89481	1.1
309.62128	1.3
325.48456	1.2
337.15048	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98613	0.8
55.01877	1.4
57.03458	1.2
58.00601	1.5
59.01384	100.0
59.23499	0.7
67.01888	1.2
71.01389	48.1
71.05021	1.0
72.99319	2.3
73.02953	2.1
80.96523	0.9
83.01403	2.8
85.02951	10.9
87.00886	2.2
89.02450	48.2
93.03469	5.3
95.01388	3.2
99.00904	1.2
101.02454	30.0
113.02459	16.7
119.03516	22.7
119.05025	2.4
128.38495	0.8
131.03499	2.2
133.06578	1.5
136.99129	1.4
143.03471	3.0
147.04506	3.0
149.06058	0.8
161.02435	1.8
161.04613	2.2
163.04048	3.5
173.04593	1.9
175.04047	3.1
177.05652	1.6
179.03574	1.1
179.05669	2.7
191.05614	24.5
192.05991	1.0
192.28160	0.8
192.60318	0.8
208.99266	0.9
253.67995	0.9
267.81326	0.9
287.40622	1.0
289.36713	1.0
337.15073	84.4
338.15356	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
56.68681	0.9
57.03457	1.1
59.01384	100.0
60.01717	1.3
62.24357	0.8
69.09158	5.3
71.01387	35.1
72.99334	1.6
73.02949	3.4
83.01431	2.0
85.02957	10.3
87.00883	3.1
89.02451	25.5
93.03459	2.5
95.01402	2.2
96.96010	1.0
99.00890	1.2
101.02450	21.5
113.02464	11.7
119.03511	14.1
123.04546	1.5
142.06679	1.1
143.03549	2.1
159.02994	0.9
161.04555	6.7
163.04092	1.0
171.96242	0.9
177.70413	1.2
179.05688	1.2
185.84326	1.0
187.09804	2.1
191.05647	7.1
192.78395	1.0
203.53601	0.9
203.79832	0.9
277.13022	2.6
325.24078	0.9
337.09271	2.8
337.15128	46.2
338.15350	4.1
348.35272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01394	0.5
61.98824	0.2
69.32642	0.2
69.96482	0.7
71.05030	0.2
109.13135	0.2
113.71868	0.2
156.50581	0.2
159.43248	0.2
163.31464	0.2
194.92749	0.2
221.15498	1.1
231.17725	0.3
247.20743	0.4
259.20712	0.7
301.21793	2.4
302.22168	0.3
307.22787	3.4
319.22781	4.7
320.23065	0.5
337.23871	100.0
338.24210	10.9
338.28406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
57.03450	0.6
59.01372	0.4
66.61176	0.1
67.72881	0.1
68.68834	0.1
69.09917	0.5
69.10315	0.2
112.26634	0.1
129.66902	0.1
130.08759	0.1
148.80376	0.1
149.09781	0.1
207.27962	0.1
219.00502	0.1
221.15472	0.8
223.13322	0.1
231.17421	0.1
231.56209	0.1
237.14975	0.1
240.88943	0.1
247.20708	0.5
259.20639	0.9
279.25351	0.1
295.15668	0.1
301.18356	0.2
301.21722	2.3
302.22101	0.2
307.20117	0.1
307.22827	3.2
308.23212	0.4
319.22787	4.1
320.23322	0.6
337.23862	100.0
338.24200	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	337.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
60.42133	0.3
65.44524	0.3
70.82057	0.6
77.33307	0.3
86.95400	0.3
114.71049	0.3
130.76671	0.3
194.95590	0.4
221.15561	0.4
225.45949	0.3
245.47157	0.3
247.20708	1.3
291.19751	1.1
292.19818	0.3
292.51889	0.4
337.23859	100.0
338.24179	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	337.2388
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
57.03451	0.8
59.01379	0.3
63.60611	0.2
69.41750	0.5
69.42159	0.6
69.48214	0.2
73.32973	0.2
80.20272	0.2
100.96478	0.2
118.01459	0.2
209.82043	0.2
221.15508	0.4
233.50778	0.2
247.20743	1.2
273.66690	0.2
291.19681	1.1
295.17691	0.2
337.23877	100.0
338.24219	10.9
338.28366	0.4
349.75604	0.2
354.63138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
54.29409	0.2
60.09613	0.2
69.90022	0.3
69.90341	0.2
88.69420	0.2
95.80656	0.2
98.22527	0.2
103.42370	0.2
116.04936	0.2
146.76111	0.2
147.71518	0.2
337.23859	100.0
338.24207	9.9
338.28317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
52.50455	0.3
55.72980	0.3
69.15960	1.4
69.16363	0.6
73.83830	0.3
74.75816	0.4
83.05011	0.4
85.06596	2.2
85.36699	0.3
90.24879	0.3
93.01591	0.4
97.06622	0.4
98.21967	0.7
109.06654	0.3
127.11334	0.9
163.11298	0.5
165.12924	1.0
166.08073	0.3
171.10280	9.4
172.10594	0.5
223.17030	0.9
251.16530	14.6
252.16801	1.4
319.22797	6.7
320.23062	0.7
335.22186	1.1
337.23874	100.0
338.24203	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	337.2388
Annotation	Betaenone E
Peak:m/z	Relative Intensity
53.68507	0.4
59.01383	100.0
60.01723	1.1
69.79998	1.1
69.80354	1.1
72.67813	0.5
73.31518	0.5
116.39996	0.5
143.65315	0.5
157.21001	0.5
167.09172	1.1
180.34232	0.5
215.07790	0.5
263.12512	0.5
277.21759	5.6
290.18460	0.9
295.22787	37.0
296.23080	2.8
337.18823	1.6
337.23947	9.7
338.24246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2388
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
52.18058	0.3
53.09258	0.3
53.51191	0.3
56.73552	0.3
61.98834	0.3
62.33128	0.3
65.15759	0.3
69.55656	1.2
79.47199	0.3
80.50467	0.3
81.23019	0.3
96.96038	0.5
142.37015	0.4
142.49417	0.3
146.74759	0.3
217.33005	0.3
254.85629	0.3
337.23868	100.0
338.24197	10.7
356.51324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.2
60.06229	0.3
81.70447	0.2
95.05042	0.4
97.06592	0.3
98.22636	0.6
110.94791	0.3
128.10834	10.1
129.11206	0.3
130.08749	100.0
131.09093	2.9
147.08131	0.5
172.09792	1.9
189.84177	0.3
196.57475	0.3
212.83063	0.2
240.45547	0.3
318.94193	0.3
338.19757	38.7
339.04971	0.3
339.20029	3.3
360.75232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66584	0.2
58.02982	1.4
59.01372	0.2
71.05042	0.7
73.55673	0.2
75.53179	0.2
76.52983	0.2
81.03475	0.3
95.05053	0.3
107.05116	0.3
109.06593	0.3
111.04569	0.2
123.08192	1.5
128.10832	5.0
130.08752	100.0
131.09099	3.3
133.06583	0.3
151.77757	0.2
154.08766	0.4
162.16023	0.2
163.11317	1.9
172.09879	1.1
234.78288	0.2
269.14276	0.2
338.19766	29.6
339.20087	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	338.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.9
59.01387	0.9
69.44873	0.4
71.01388	1.1
71.05009	0.9
79.49657	0.4
95.05042	0.7
101.31330	0.5
123.08170	1.9
125.28460	0.5
128.10815	5.9
130.08749	100.0
131.09094	3.0
141.65532	0.5
161.31062	0.5
163.11337	2.8
172.09880	0.8
238.15382	0.6
244.15456	0.5
273.56866	0.4
284.08963	0.9
320.23340	0.6
338.10281	3.9
338.19833	33.5
338.24234	5.4
339.20328	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	338.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69855	0.2
52.95995	0.3
57.03445	0.3
58.02974	2.6
59.01366	0.6
65.16355	0.2
71.01384	1.1
71.04995	0.2
74.02515	0.2
81.03441	0.4
90.89698	0.2
95.05036	0.2
115.00391	1.2
128.10834	9.9
129.11150	0.3
130.08749	100.0
131.09106	3.2
133.01480	0.3
135.11852	0.4
145.02925	0.3
147.08174	0.5
154.05388	0.5
165.09267	0.3
172.09798	2.3
173.40247	0.2
179.10765	1.9
207.08246	0.4
223.09721	0.5
235.07721	0.6
257.09659	0.2
263.07144	1.3
280.07071	0.4
281.08221	1.4
291.06717	0.5
292.07547	0.3
293.08286	0.4
294.08792	0.3
307.09781	0.4
308.06516	0.3
308.10654	0.4
309.07733	5.7
309.10910	0.2
323.09143	0.6
324.06454	0.4
324.10037	4.2
338.19760	35.0
339.12408	3.2
339.20148	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	339.0723
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
69.25865	8.4
71.01389	27.8
85.02961	7.0
85.42569	1.6
98.22760	2.2
115.00388	11.8
121.02980	14.3
132.02301	2.0
133.01451	6.1
135.04562	3.0
145.02953	1.9
147.04546	4.8
149.02457	67.3
150.02782	2.0
163.03932	1.8
164.04810	46.3
165.05170	1.9
179.07091	2.0
193.01387	2.8
208.03777	4.2
215.78448	1.8
223.06133	100.0
224.06502	5.3
229.01445	2.3
243.15257	1.5
339.05096	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03455	14.6
59.01378	6.6
59.74453	0.6
67.01886	0.6
70.83118	0.6
71.01400	3.6
72.99300	2.4
73.02951	1.7
75.00886	1.8
76.25726	0.6
83.01400	3.0
84.02182	1.7
85.02959	100.0
86.03300	1.9
87.00889	1.9
98.21892	1.0
99.00896	0.7
101.02486	0.9
103.00389	1.5
107.05049	0.9
111.00900	5.3
115.00352	1.5
119.81770	0.6
129.01968	7.8
133.06595	3.0
147.03018	12.4
147.04482	2.4
150.03229	1.0
168.04562	0.6
173.00912	2.0
177.05638	0.9
191.01984	22.8
203.10808	0.8
214.06448	0.7
224.81978	0.6
229.08653	2.5
231.09369	0.7
242.38953	0.6
251.09517	0.7
267.10236	0.9
275.09225	1.0
285.11249	0.8
339.10495	2.3
339.14560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01003	1.7
55.95862	1.8
58.02976	4.7
59.01379	4.4
64.01426	1.8
71.01389	46.5
71.36832	1.8
71.38996	3.0
72.99303	2.8
73.02944	2.8
74.99136	2.6
80.96520	3.6
93.55380	2.1
96.95988	3.9
113.16157	2.1
113.20102	1.8
115.00389	42.2
128.10826	6.3
130.08748	49.9
131.09100	9.7
133.01431	43.6
135.11823	21.5
143.94257	2.0
154.05344	7.1
155.05724	6.7
167.57336	2.2
179.10793	100.0
180.11134	5.8
214.86017	1.9
223.09772	17.9
229.48067	1.8
280.11740	3.2
281.34680	1.9
338.15402	2.2
338.19656	9.5
339.05530	3.6
339.09299	2.5
339.15512	18.2
339.19586	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54423	0.5
56.68015	0.6
59.01434	0.8
64.24065	0.5
66.48970	0.5
69.62830	2.3
72.99409	0.5
104.29092	0.5
113.30488	0.5
117.03537	0.7
118.38147	0.5
132.02248	0.6
133.03035	0.9
135.04529	5.7
135.91438	0.5
145.02936	2.9
147.04671	0.7
160.01810	0.7
163.04080	1.5
179.07202	1.7
179.08699	0.6
185.02415	1.0
191.08704	1.5
193.06654	0.7
195.08247	0.6
197.09685	0.7
205.96532	0.6
207.08214	3.0
217.06653	2.3
218.07341	1.3
219.08153	2.9
220.05347	1.3
221.06134	3.6
222.06879	0.7
223.07756	1.0
224.08330	0.9
225.05524	1.1
225.09279	1.4
233.03957	0.6
233.06213	1.8
234.06902	1.9
235.07651	7.9
236.04585	0.6
236.08363	1.0
237.09258	2.3
239.07224	2.0
245.06091	2.9
246.06879	2.3
247.07718	2.6
249.05632	0.9
251.07167	1.6
252.07895	0.9
253.05122	1.0
253.08643	4.8
262.06332	2.7
263.07141	19.3
264.07660	3.4
265.08679	1.7
267.10403	0.7
268.11111	2.8
273.05695	1.3
274.06458	1.2
275.07178	1.7
276.07959	0.8
279.06686	0.8
280.07532	2.2
281.08185	31.6
282.08569	2.8
290.05859	1.6
291.06622	8.3
292.07385	3.0
293.08215	9.0
294.08929	3.8
295.09744	0.9
296.10611	4.1
306.08981	0.9
307.09668	3.9
308.06989	1.2
308.10422	7.6
309.07712	100.0
310.08011	9.6
310.11435	0.9
317.36551	0.7
323.09265	10.0
324.10034	81.2
325.10370	8.1
339.12375	57.5
340.12787	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53865	0.4
69.13526	1.3
69.13931	1.3
117.03516	0.7
130.08853	1.7
132.02257	1.1
133.02966	0.9
135.04616	0.6
142.06012	0.5
145.02940	3.8
146.03856	0.6
157.03008	0.7
160.01682	0.9
161.02473	0.6
163.04099	2.1
179.07214	1.1
179.08727	0.7
185.02473	0.8
189.07271	0.8
191.08833	1.1
193.06635	0.6
195.08257	1.0
207.08156	2.4
217.06572	2.6
218.07373	1.5
219.08136	3.2
220.05356	1.0
220.08702	0.6
221.06070	2.4
223.07727	1.0
224.04817	0.9
224.08488	0.5
225.05641	0.6
225.09271	1.4
233.06142	1.7
234.06891	1.3
235.07622	6.7
236.08357	0.9
237.05562	0.6
237.09296	1.7
239.07182	1.1
245.06070	2.6
246.06969	1.6
247.07625	2.2
248.04736	0.5
251.07170	2.0
253.05052	0.7
253.06308	0.6
253.08749	5.1
254.08917	0.6
261.05756	1.0
261.61511	0.5
262.06345	3.1
263.07138	18.9
264.07629	2.8
265.08725	1.4
268.11029	2.6
273.05655	1.0
274.06372	1.3
275.07196	1.9
276.07928	1.6
279.06592	0.9
280.07483	2.1
281.08215	28.7
282.08649	2.5
290.05917	0.8
291.06607	6.2
292.07364	2.6
293.08218	8.3
294.08963	3.5
295.09750	2.1
296.10538	4.8
296.18506	0.5
297.11194	0.6
306.09015	0.5
307.09802	3.6
308.07095	1.1
308.10507	6.8
309.07715	100.0
310.08109	10.1
323.09253	10.5
324.10034	74.3
325.10352	8.3
339.12381	56.5
339.21262	1.3
340.08661	0.8
340.12662	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	339.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
57.34238	0.9
59.01371	3.5
69.03462	2.1
70.16341	2.5
71.01388	61.0
71.05022	1.4
75.88979	1.0
81.03503	1.3
95.05009	1.3
98.57811	0.9
99.80064	1.1
103.01503	0.9
115.00391	14.7
125.67365	0.9
130.36507	0.9
133.01472	1.1
137.93034	1.1
167.10788	1.6
173.82698	1.0
175.75763	1.2
179.14433	2.8
195.13910	10.0
205.12340	8.1
223.13406	100.0
224.13759	6.7
253.14569	1.1
303.16003	1.2
321.16846	1.7
339.15259	1.5
340.08517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38458	4.0
59.01390	5.9
69.98264	15.1
71.01392	47.2
98.22560	4.8
115.00375	14.9
138.73694	4.8
177.05539	7.6
178.22725	4.4
195.13950	12.1
205.12386	11.0
223.13394	100.0
264.42523	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	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.0
57.36113	5.7
57.93971	5.6
59.01378	15.0
60.12638	5.5
62.13368	5.9
69.03450	11.1
69.52468	16.9
71.05025	26.7
73.02957	7.0
81.03461	50.4
83.05038	31.1
85.02958	27.0
86.70027	6.3
95.05041	18.1
97.02965	10.3
97.06601	14.5
99.04526	86.1
107.05038	10.2
108.02186	14.3
109.02983	10.0
109.06584	9.4
111.04516	17.4
115.26020	6.5
121.03010	28.8
122.03738	17.3
123.08173	7.8
125.09731	10.5
135.04488	8.8
137.06081	23.9
139.11273	7.8
148.04396	11.2
149.06093	27.7
153.09149	6.1
167.07111	16.5
171.10286	78.8
172.52954	6.7
178.04958	6.4
178.06378	22.5
191.14377	7.3
193.12323	18.8
195.77576	6.5
199.13365	16.4
205.12325	9.3
209.15585	6.6
223.54620	5.9
235.13399	65.2
236.13823	7.6
249.11322	17.9
250.12036	20.5
253.14468	100.0
254.14809	8.7
259.16946	7.2
265.14432	12.4
285.06128	6.1
285.14926	13.2
303.16046	36.9
321.17078	49.5
339.18283	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	339.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
59.32246	2.4
65.27144	2.4
67.01888	3.0
69.77798	9.3
71.05009	13.1
75.07883	2.5
81.03461	5.9
83.05022	2.6
93.03456	3.1
97.06631	2.7
98.78907	2.4
109.06576	3.5
111.04542	25.4
121.02928	2.6
135.08136	7.2
137.06169	3.1
137.09731	6.3
141.34233	2.3
149.09734	4.7
152.08479	3.9
167.10793	30.1
171.10275	100.0
172.10558	6.0
177.12897	11.7
195.33910	2.4
209.15561	2.8
216.22192	2.5
233.15591	2.8
235.13425	4.2
289.18094	5.7
303.19830	3.0
321.20743	99.0
322.21042	10.2
349.30896	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.54642	0.2
52.74238	0.2
54.35375	0.2
69.69438	0.6
69.69864	0.5
86.21767	0.3
107.04987	0.3
149.92592	0.3
154.64021	0.2
163.11299	100.0
164.11623	4.9
339.23300	58.7
340.23633	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	341.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.55145	3.6
62.82133	3.4
66.62613	3.8
69.63887	16.1
71.01389	42.9
73.02956	26.6
77.03965	3.9
83.01379	6.4
85.00800	3.8
85.02959	20.9
89.02460	28.7
93.03477	6.4
95.01398	4.8
98.21875	3.9
101.02454	30.3
105.03484	10.1
107.05034	16.1
113.02461	16.4
117.73410	3.7
119.03514	10.7
119.05048	28.4
119.05779	4.9
131.03494	4.6
133.02985	65.8
135.04538	25.4
137.02473	9.3
137.05992	4.6
143.03546	5.7
153.32654	3.7
154.35832	3.7
161.02414	3.7
161.04506	5.1
167.03552	5.5
173.04575	7.3
177.01962	37.5
178.02251	3.7
179.03554	7.1
179.05643	8.3
207.81906	3.8
279.99503	3.9
281.10358	10.6
282.17111	3.6
308.86356	4.6
341.04425	5.7
341.08353	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	341.0878
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
59.01126	0.6
59.01389	8.3
69.80846	1.3
71.01388	3.2
85.02976	1.0
89.02451	2.1
90.24796	0.4
91.93373	0.4
101.02457	1.3
113.02460	0.8
117.03493	0.5
119.03421	0.6
132.02217	2.2
133.02972	34.2
134.03354	0.7
135.04544	8.6
149.06093	0.7
161.02460	100.0
162.02806	5.0
175.03929	0.5
177.05643	1.0
179.03513	15.1
180.03954	0.7
203.03558	2.4
221.04546	1.2
281.06641	1.7
289.68066	0.4
324.58627	0.4
341.08835	7.4
342.09229	0.9
354.41660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1029
Annotation	celebixanthone
Peak:m/z	Relative Intensity
57.03419	0.5
59.01133	0.4
59.01379	4.2
71.01386	3.3
71.39686	0.4
75.60079	0.4
80.96520	0.4
85.02936	0.9
89.02456	2.0
93.03474	1.9
99.01019	0.4
101.02435	1.3
107.05045	4.0
108.02118	0.5
109.02917	1.6
113.02464	0.7
117.03466	0.6
119.03482	0.7
119.04979	0.4
121.02968	13.2
122.03323	0.5
133.02921	0.9
133.06601	0.6
135.04530	4.6
135.08160	0.7
136.05017	0.4
145.02953	1.6
146.03802	0.6
147.04471	0.6
152.52713	0.4
158.03746	0.6
159.04520	1.2
160.05334	2.9
161.04520	0.6
161.05862	0.5
167.08701	2.0
169.06592	0.6
173.02406	1.4
174.03127	0.9
179.05614	1.0
180.05847	0.7
181.06451	0.6
183.04510	0.7
183.08167	1.9
192.04292	1.2
193.06592	3.5
194.07289	0.8
195.04477	2.1
195.08183	4.3
196.05309	4.0
197.06081	2.8
199.07701	0.5
205.04979	0.6
205.06664	0.8
206.07260	0.5
208.05231	0.5
209.06059	4.8
210.06781	1.3
211.04301	0.7
211.07666	13.4
212.04764	1.0
212.08047	0.9
220.05231	2.0
221.06087	12.3
222.06813	4.8
223.07613	4.6
224.04791	5.6
225.05539	3.0
225.11276	0.4
226.06190	0.4
232.05283	0.7
233.05981	0.5
235.04047	0.6
237.05582	11.6
238.06328	4.3
239.07155	29.9
240.04282	0.7
240.07507	2.7
242.44753	0.4
247.04039	0.7
248.04742	3.7
249.05579	16.3
250.06310	8.3
251.03552	1.0
251.07133	2.7
252.04280	1.0
252.07790	1.8
253.05052	0.5
253.08748	1.8
264.04208	0.7
264.07883	0.4
265.05075	5.8
265.08691	2.3
266.05844	9.4
267.06641	100.0
268.06970	8.0
276.04468	0.9
277.05029	3.8
278.05652	1.8
280.07306	0.6
281.08170	4.8
282.08990	33.2
283.06119	1.8
283.09396	2.8
293.04602	2.0
294.05356	21.5
294.08743	0.8
295.05695	2.4
297.11331	24.8
298.11673	3.0
308.06979	1.6
309.07706	49.1
310.08081	5.5
311.05612	10.6
311.08322	0.3
312.05887	0.7
323.09161	3.4
324.09695	0.4
325.07162	1.7
326.07974	31.2
327.08282	2.7
341.10327	79.3
342.10651	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34127	0.4
54.81374	0.4
55.01874	1.1
57.03458	1.0
58.00602	0.8
59.01382	100.0
60.01725	1.0
66.85458	0.5
68.30193	0.4
69.51142	1.6
71.01385	61.1
72.01722	1.2
72.99329	1.2
73.02960	1.7
75.00887	0.5
82.09239	0.4
83.01405	1.7
85.02951	9.1
87.00883	3.7
89.02450	74.3
90.02798	0.8
95.01384	3.2
97.02959	0.6
98.21905	0.4
101.02449	28.8
108.14431	0.4
113.02459	20.9
119.03510	25.6
125.02459	1.1
131.03505	3.3
131.33322	0.5
137.29169	0.5
143.03522	6.1
149.04578	2.5
161.04581	9.2
179.05618	26.4
180.05908	0.9
205.55278	0.5
206.84311	0.5
207.12526	0.4
244.88788	0.5
341.10898	27.5
342.11270	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	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58799	0.6
57.03445	0.7
58.00588	1.4
58.26609	0.6
59.01383	100.0
60.01713	1.1
71.01384	55.5
71.48923	0.7
72.01728	0.9
72.99319	1.3
73.02956	2.1
83.01397	1.6
85.02965	7.7
87.00874	4.7
89.02452	65.0
90.02798	1.2
95.01385	3.7
95.78949	0.8
95.79565	0.7
101.02448	25.7
107.03534	0.7
113.02459	22.2
119.03510	25.8
119.04343	1.5
120.03865	0.9
125.02444	0.8
131.03496	4.2
143.03497	6.6
149.04593	2.2
161.04584	8.4
179.05612	26.0
180.06056	0.8
332.78796	0.7
341.10873	30.6
342.11337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01876	0.9
56.99803	0.3
57.03445	1.2
58.00590	1.1
59.01384	100.0
60.01716	1.3
60.67879	0.3
61.98837	0.6
62.50929	0.3
69.03444	0.4
71.01386	61.2
72.01718	0.7
72.99303	1.7
73.02947	2.0
75.00886	0.3
82.07844	0.3
83.01382	2.3
85.02957	8.6
87.00885	3.0
89.02451	76.4
90.02789	1.4
94.92517	5.6
95.01388	4.2
97.02918	0.5
97.78672	0.3
99.00879	0.4
101.02451	30.7
102.02811	0.4
113.02460	25.1
114.02808	0.7
115.83961	0.3
116.97259	0.5
118.96960	0.6
119.03513	27.5
119.94707	0.6
120.03835	0.6
125.02474	0.6
131.03502	4.1
143.03519	5.9
149.04591	3.0
161.02457	0.8
161.04575	7.5
167.91312	0.3
176.90025	2.1
179.05624	27.3
180.06029	0.9
188.70886	0.3
258.90518	0.7
288.11642	0.3
311.48041	0.3
341.10907	28.9
342.11108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03460	0.4
59.01365	1.3
69.92139	1.4
71.01385	6.5
73.02942	1.8
83.01396	0.9
85.02956	2.8
98.22006	0.7
99.00854	0.7
101.02460	3.9
113.02476	2.9
120.05827	4.7
132.44664	0.4
135.08176	100.0
136.08511	5.6
159.03032	0.9
161.04568	2.7
172.79703	0.4
179.07161	17.9
180.07471	1.1
341.12543	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.7
59.01383	22.3
69.03465	3.3
69.05080	7.1
69.05502	4.9
71.01383	32.7
72.99318	1.7
73.02959	11.9
83.05020	2.6
85.02953	2.9
85.06911	1.4
89.02453	12.9
93.12916	1.4
95.05022	1.8
101.02443	4.9
103.75494	1.7
109.02960	2.0
109.06595	2.8
113.02457	4.8
115.00380	17.7
115.60706	1.8
119.03506	3.8
119.05045	2.0
121.06535	2.3
125.09738	1.8
132.02147	3.1
133.03012	13.4
134.03241	2.5
135.04544	9.8
135.08163	1.8
160.01668	3.8
161.02464	53.0
161.04601	2.0
163.11270	5.6
179.03523	10.8
179.05608	4.3
180.03906	2.2
181.12349	68.3
182.12654	4.7
197.11908	1.7
201.11357	6.2
207.10263	3.6
209.11824	5.7
221.04446	1.7
224.04738	1.5
225.11330	100.0
226.11716	8.2
235.13451	2.4
249.11263	2.3
267.06693	4.4
294.05536	2.2
299.18649	5.6
305.17633	2.4
309.07742	4.4
341.08804	2.9
341.11041	3.3
341.19647	17.1
342.19958	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	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30294	1.2
57.03459	2.5
59.01382	100.0
69.03441	1.3
69.60030	3.3
71.01388	44.4
72.99320	1.5
73.02947	38.1
75.00880	10.1
81.03448	1.5
83.01389	7.0
85.02957	11.9
87.00854	2.6
89.02451	21.3
95.01387	3.6
97.02938	1.5
99.00880	4.0
101.01809	2.1
101.02450	25.2
113.02464	22.5
114.14079	1.1
119.03549	8.2
119.05032	41.0
120.05350	1.9
121.02960	1.5
129.04184	1.4
131.03493	2.3
133.00946	1.3
133.02991	2.6
134.03740	4.3
135.04532	37.9
136.04839	1.7
137.02455	4.6
137.06071	2.9
138.05579	4.0
143.03482	2.2
160.22116	1.2
161.02484	7.7
161.04582	4.7
163.04004	3.4
165.04057	2.8
177.04073	3.9
179.03503	36.3
179.05609	23.7
180.03850	1.9
193.04997	1.9
195.05159	3.2
197.04634	1.8
197.48787	1.0
222.86272	1.1
240.27693	1.2
248.39346	1.2
249.58098	1.1
281.10327	12.0
283.97470	1.3
299.11310	3.8
323.07123	1.3
341.08569	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	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.7
59.01383	22.3
69.03465	3.3
69.05080	7.1
69.05502	4.9
71.01383	32.7
72.99318	1.7
73.02959	11.9
83.05020	2.6
85.02953	2.9
85.06911	1.4
89.02453	12.9
93.12916	1.4
95.05022	1.8
101.02443	4.9
103.75494	1.7
109.02960	2.0
109.06595	2.8
113.02457	4.8
115.00380	17.7
115.60706	1.8
119.03506	3.8
119.05045	2.0
121.06535	2.3
125.09738	1.8
132.02147	3.1
133.03012	13.4
134.03241	2.5
135.04544	9.8
135.08163	1.8
160.01668	3.8
161.02464	53.0
161.04601	2.0
163.11270	5.6
179.03523	10.8
179.05608	4.3
180.03906	2.2
181.12349	68.3
182.12654	4.7
197.11908	1.7
201.11357	6.2
207.10263	3.6
209.11824	5.7
221.04446	1.7
224.04738	1.5
225.11330	100.0
226.11716	8.2
235.13451	2.4
249.11263	2.3
267.06693	4.4
294.05536	2.2
299.18649	5.6
305.17633	2.4
309.07742	4.4
341.08804	2.9
341.11041	3.3
341.19647	17.1
342.19958	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	341.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.1
59.01392	1.2
62.43422	0.2
69.31254	0.5
69.31652	0.3
71.01380	0.5
80.35661	0.2
80.96487	0.2
85.02962	0.6
89.02451	0.5
89.24022	0.1
95.37716	0.1
101.02441	0.2
113.02459	0.2
122.03749	9.7
123.04052	0.3
130.08748	0.2
137.06096	100.0
138.06438	3.8
142.73404	0.1
154.02666	0.2
157.30370	0.2
167.03516	0.3
179.05591	0.2
259.01892	0.2
261.56198	0.2
282.92328	0.2
316.68048	0.1
341.10950	0.2
341.16431	0.2
358.07281	0.2
361.76154	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	341.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87123	0.2
55.01881	0.3
59.01380	3.5
70.57994	0.4
71.01385	1.6
74.45423	0.2
79.95743	0.4
80.96514	0.4
85.02944	0.6
89.02444	1.7
96.96039	0.5
101.02441	0.8
113.02466	0.6
119.03522	0.5
121.03035	0.3
122.03748	8.6
123.04124	0.2
124.01687	0.2
129.43767	0.2
135.08176	0.6
137.06093	100.0
138.06435	3.9
154.02730	0.3
161.04573	0.3
179.05640	0.8
221.06195	0.4
225.11340	0.4
237.05634	0.3
239.07196	0.6
249.05818	0.2
253.08936	0.3
267.06610	2.6
269.07935	0.2
282.09012	0.8
294.05273	0.3
297.11282	0.5
309.07721	1.1
311.05728	0.3
326.07901	0.4
341.03226	0.4
341.06702	0.3
341.10141	2.2
341.16183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83693	6.8
59.01393	36.1
65.98421	6.4
69.13247	5.6
69.54408	11.7
69.54780	23.5
71.01376	21.5
74.02458	14.8
85.02957	12.5
85.35189	6.1
89.02458	19.4
93.03473	8.2
94.65424	6.0
96.93591	6.4
101.02445	8.2
115.55309	6.5
119.03548	12.5
121.02927	8.9
133.02924	24.0
135.04529	18.8
161.02446	100.0
164.04860	6.8
176.04111	7.0
179.03566	19.8
179.05641	11.0
179.07101	11.3
185.50554	7.3
186.04559	6.6
197.04587	6.4
215.96326	7.4
267.06607	16.6
282.09085	7.3
294.05453	6.6
309.08014	9.2
326.10785	8.6
341.10016	10.4
341.19684	10.3
342.20251	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	341.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96944	0.7
57.60659	0.7
59.01379	2.1
69.94682	1.2
71.01389	29.0
74.58439	0.7
91.07964	0.6
97.06619	0.9
115.00372	9.1
133.01479	0.7
133.02946	1.0
152.81468	0.6
161.02440	2.8
163.14946	1.1
181.12328	0.8
195.13942	4.0
197.15517	1.7
207.13899	10.9
208.14278	1.2
209.11674	0.7
225.14969	100.0
226.15274	6.6
333.81711	0.7
341.10532	0.9
341.19705	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31621	2.6
57.03439	5.6
59.01390	21.1
69.03461	8.6
69.78712	7.4
69.79102	5.5
71.01369	9.3
71.05025	44.0
81.03461	42.6
83.05032	30.0
84.02191	4.0
89.02441	5.0
93.03429	3.7
95.05032	19.4
97.02945	9.0
97.06593	6.0
99.04523	43.9
102.57431	2.7
106.04283	3.9
108.02184	5.3
109.02938	4.1
109.06609	8.3
110.03735	5.7
111.04510	7.0
119.03529	3.5
121.06630	5.6
123.04510	3.1
123.08144	5.1
125.09753	3.0
127.07653	3.5
133.02951	5.3
133.06665	4.0
135.04559	6.7
151.07727	15.9
155.10818	4.5
161.02426	21.2
161.04559	3.3
165.12842	3.1
171.10278	59.1
171.11678	5.8
172.10730	3.8
179.03452	6.6
179.05603	4.4
185.11827	6.0
189.12910	5.5
191.14372	6.9
193.12354	23.8
196.02969	2.7
201.11301	3.6
207.13892	2.7
211.13451	5.8
227.12804	3.4
233.11885	5.4
235.13394	57.6
239.11003	4.8
243.17665	8.2
251.12790	3.3
253.14459	100.0
254.14807	10.5
287.16550	32.6
288.16809	5.1
305.17636	22.8
323.18552	10.9
341.19608	19.3
341.23462	11.3
342.19769	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00609	1.7
57.03454	8.2
59.01391	16.9
60.50435	1.6
69.03449	6.0
69.16815	8.5
71.01381	20.4
71.05029	36.6
80.02670	1.7
81.03463	35.4
83.05027	27.8
84.02206	2.6
85.02959	5.6
87.04522	2.5
89.02462	6.2
91.96624	1.8
93.03438	2.4
95.05048	15.3
97.02962	8.7
97.06587	4.9
98.03753	2.1
99.04533	39.5
101.02446	3.7
101.06107	2.9
107.05080	2.2
109.02904	2.7
109.06616	8.1
110.03723	5.8
111.04528	9.7
115.00350	4.8
121.06604	3.6
122.03774	1.6
123.04545	2.1
123.08132	3.1
125.09734	3.4
125.86383	1.6
127.07591	1.8
133.02931	7.1
133.06592	3.7
135.04538	4.7
135.08167	3.0
137.09750	2.0
151.07632	14.4
153.09274	2.6
155.10764	3.9
160.01642	2.0
161.02461	22.3
162.02840	2.8
163.11285	2.5
165.09218	2.0
165.12819	1.8
171.10294	36.7
179.03510	3.6
179.05621	2.4
185.11896	2.4
189.12865	2.5
191.14384	6.6
193.12332	18.3
199.13461	5.9
201.11377	4.5
207.13890	4.8
209.11856	5.5
211.13463	5.2
221.11916	2.3
225.14989	39.3
226.15414	3.2
233.11838	4.5
235.13414	52.0
236.13702	3.9
237.14862	2.5
239.12927	3.8
243.17567	5.9
249.15036	2.6
253.14462	100.0
254.14713	8.7
279.16043	2.0
287.16574	26.8
288.16800	1.8
305.17606	17.0
306.17917	2.5
317.24603	2.0
323.18604	6.9
341.19711	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03458	4.8
58.02973	2.7
59.01385	13.6
59.84259	1.4
69.03473	3.5
69.11893	11.2
69.14851	1.5
71.01387	25.1
71.05025	17.7
71.25190	1.5
80.03768	1.5
81.03466	45.9
83.01376	1.9
83.05037	34.0
85.02968	5.7
89.02461	5.8
93.03458	24.6
95.05036	8.1
96.02165	1.7
97.02964	6.8
97.06596	1.9
101.02448	4.6
107.05067	2.0
109.02946	2.4
109.06593	10.0
110.03747	5.6
111.04535	90.7
112.04827	2.1
113.02439	3.0
115.00409	5.9
121.06606	2.3
122.03780	3.1
123.04557	14.7
123.08167	4.1
125.09754	7.2
127.05158	6.7
127.07698	3.2
127.11257	2.6
130.08725	2.7
132.02197	2.8
133.02982	6.9
133.06647	3.6
135.04523	2.9
136.05365	2.7
139.07671	7.6
145.06204	6.5
151.07663	53.0
151.11253	1.9
152.08011	3.7
155.10846	2.8
160.01671	2.2
161.02498	19.3
161.04564	1.8
163.11330	5.4
169.08705	36.1
171.10289	100.0
172.10652	4.7
179.03517	4.6
179.05643	1.8
181.12375	8.3
195.10248	2.6
199.09831	2.2
201.11360	22.3
207.10272	19.9
208.10629	2.4
208.66197	1.8
209.11784	3.6
213.11317	19.3
223.13313	1.8
225.11330	66.9
225.13525	3.7
226.11662	4.7
251.12964	7.5
267.06665	6.5
281.07040	3.8
287.16605	4.9
296.06921	3.6
305.17633	5.9
309.07690	2.4
311.08691	7.4
323.18741	6.3
326.10855	3.6
341.10077	11.0
341.13956	2.5
341.20001	34.7
342.20532	3.2
359.63193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
63.37056	0.4
66.86457	0.4
69.03466	2.4
69.89034	0.4
69.89361	1.2
80.02592	0.4
81.03475	0.6
83.05032	1.5
84.02178	5.3
97.02988	1.7
97.06596	10.8
98.06905	0.5
98.22636	0.4
99.04543	1.3
109.06523	0.4
111.08137	0.8
119.08624	0.6
121.10260	0.5
125.09758	1.9
137.09714	1.7
149.13409	0.9
151.11320	0.5
161.02451	1.9
165.12843	1.0
171.10280	15.7
175.11241	0.7
177.12820	0.6
183.13898	1.5
193.12341	14.5
194.12682	0.7
197.15468	0.8
211.13409	2.9
221.11842	0.9
225.14980	22.2
226.15361	1.7
243.15997	8.9
253.14050	1.0
253.16614	2.2
273.18628	0.5
291.19733	2.2
305.21115	0.7
323.22281	1.3
341.23334	100.0
342.23666	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08774	0.8
59.01373	1.2
69.03450	3.6
69.55122	2.4
79.39516	0.7
83.05035	1.5
84.02147	2.0
95.05045	1.0
97.06589	12.4
125.09736	1.7
137.09729	1.7
149.79216	0.8
161.02422	2.1
171.10277	6.5
175.11325	1.7
185.11797	1.2
193.12341	17.5
211.13475	6.0
225.14978	24.9
226.15289	1.7
242.51347	0.9
243.16005	10.7
291.19775	1.2
341.23337	100.0
342.23682	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	341.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	53.3
63.31590	26.9
70.82977	53.8
71.01393	41.2
81.36170	28.7
85.83275	30.0
185.00804	41.9
201.29213	26.4
290.93872	28.6
341.19824	100.0
355.37912	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69564	5.0
58.59907	5.4
70.14478	4.9
71.27966	6.6
81.59187	4.8
82.81820	5.4
86.36732	4.7
103.11108	5.6
172.20944	5.4
188.83041	5.2
188.85179	5.1
272.04797	5.6
342.20490	100.0
343.20880	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	97.6
60.01718	1.0
61.98854	0.2
74.87248	0.1
75.69713	0.1
82.37401	0.1
82.95441	0.2
113.02940	0.1
113.04601	0.4
115.02520	0.3
115.98514	0.1
117.00465	0.2
155.01985	0.1
156.90811	0.3
157.03574	7.2
157.90967	0.1
158.03766	0.4
158.90672	0.2
159.01511	3.9
160.01518	0.2
169.75607	0.1
183.01494	0.1
183.96275	0.1
185.01163	0.1
198.92021	0.2
199.98868	0.2
201.02563	100.0
202.02718	8.8
273.65436	0.1
343.03763	1.9
344.03708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01384	93.5
60.01724	1.1
70.71368	0.4
70.71718	0.5
71.02048	0.3
89.02474	0.5
98.22245	0.3
101.02443	3.5
113.04604	0.8
115.02518	2.1
117.00451	0.5
126.98890	0.4
128.07211	0.7
130.08751	30.3
131.09097	0.9
139.02524	3.1
140.02759	0.4
141.00459	6.4
157.03578	20.4
158.03754	1.6
159.01518	3.2
168.99933	1.1
183.01501	34.8
184.01715	2.9
188.07806	0.8
201.02563	100.0
202.02713	9.2
215.02629	0.4
230.09024	0.8
236.95410	0.3
240.07278	2.2
283.01620	6.3
284.01730	1.3
299.14645	0.7
301.16202	1.7
325.02643	7.6
326.02820	1.4
338.30313	0.4
343.03738	2.7
343.17310	17.7
344.03979	0.5
344.17392	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22982	2.2
69.36579	9.3
71.01389	19.0
85.24600	2.0
111.09155	2.0
115.00379	11.4
146.98764	1.8
165.12868	21.5
183.13916	81.9
184.14262	4.2
217.36417	2.1
227.12903	100.0
228.13426	4.4
239.07391	1.8
334.78561	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	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01370	1.9
69.03438	0.9
69.45578	3.0
71.01389	19.7
72.99303	1.5
73.24802	0.6
83.05074	0.6
85.52178	0.6
89.02435	1.8
97.06569	0.7
111.08154	1.6
115.00382	30.3
133.01445	41.7
165.12868	26.1
166.13217	1.5
169.12430	0.8
183.13924	95.2
184.14282	5.2
197.11778	0.7
200.04791	1.3
204.10228	0.7
209.11850	2.2
227.12914	100.0
228.13240	6.5
299.16632	1.4
301.20361	1.0
307.30035	0.7
325.14395	1.5
343.15649	3.2
343.21170	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01389	3.1
71.01387	18.3
72.85603	0.3
73.02955	0.4
83.05029	0.8
85.02955	0.6
95.05044	0.6
97.06595	1.1
109.06599	0.6
111.08152	1.4
113.06070	0.4
115.00384	11.4
125.09764	0.6
130.44263	0.4
133.01392	0.4
157.12448	0.6
165.12854	20.5
166.13193	1.0
167.03912	0.4
171.10263	1.7
173.67523	0.4
179.10854	0.5
181.12378	0.8
183.13910	89.3
184.14244	6.0
185.06172	0.5
185.11859	0.6
197.11876	1.0
199.07690	0.8
199.13481	0.5
201.09177	0.4
201.11378	0.6
209.11888	1.6
211.13470	1.0
227.12903	100.0
228.13234	7.2
229.14445	0.5
269.11853	1.0
281.15472	0.6
283.13297	1.0
283.19156	1.0
284.14023	0.9
285.11218	0.4
299.16483	5.2
300.16727	0.7
301.20300	6.5
325.14557	0.5
343.15622	3.5
343.21286	14.5
344.21640	0.9
360.22653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01370	2.5
64.64443	0.5
64.95652	0.5
65.63052	0.5
71.01389	29.8
72.01711	0.8
83.05021	1.2
85.02962	0.7
87.61308	0.6
97.06599	1.5
109.06601	0.8
111.08147	2.0
115.00384	11.1
133.01471	1.3
141.51436	0.6
165.11749	0.4
165.12849	13.6
171.10271	2.3
183.13910	16.3
184.14320	0.9
185.11797	1.6
201.11391	0.9
209.11830	10.2
210.12070	0.7
226.14771	0.5
227.12901	100.0
228.13199	4.2
229.14484	1.5
299.12949	0.7
299.16571	1.5
325.20316	0.7
343.15442	2.8
343.21277	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24688	0.8
59.01385	100.0
71.01394	3.5
73.02941	1.0
79.95748	0.9
84.24998	1.0
85.02921	1.0
89.02467	5.5
98.21871	1.6
101.02457	3.0
103.46042	0.9
113.02463	1.8
119.03513	2.2
255.06621	0.9
307.09323	0.9
327.67075	1.0
332.86429	0.9
343.08621	1.0
344.17233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Sculponeatin J
Peak:m/z	Relative Intensity
55.01878	0.6
57.03447	0.8
59.01394	2.0
69.03455	0.6
69.28154	1.5
71.01380	0.4
83.05038	0.7
85.06599	3.1
86.38250	0.3
93.07085	0.7
95.05041	0.3
97.02962	1.4
97.06593	7.0
98.21852	0.7
103.05560	0.5
105.07121	0.8
106.63625	0.3
107.05044	0.5
107.08670	0.7
119.24226	0.3
121.06622	0.4
123.04533	3.7
123.08168	1.5
133.06607	1.9
135.04533	0.9
135.08174	1.0
137.09720	1.7
144.05783	0.8
147.08203	0.8
149.06102	2.6
149.09708	0.3
151.07613	0.3
153.09254	0.4
157.06583	1.5
159.08192	0.4
160.05347	0.4
161.06100	3.0
163.04008	0.6
163.07719	0.4
165.09203	5.0
167.03534	0.5
168.05829	1.2
171.08179	0.8
173.06119	0.4
175.07672	0.9
177.05539	1.7
178.06351	2.8
179.10809	3.4
181.06575	1.0
182.07315	1.1
183.08168	7.6
184.08884	1.0
185.09717	1.3
185.13336	0.5
186.06873	3.7
187.07573	1.2
187.11324	0.6
191.07135	0.8
193.05040	1.4
193.08710	8.3
194.09006	0.4
195.08057	0.5
198.06760	0.4
199.07678	1.1
199.11313	0.9
200.08456	1.6
201.09229	6.0
202.09523	0.7
205.08736	0.3
207.10294	2.4
211.11374	2.1
212.08424	0.5
213.09244	2.3
223.11292	0.7
225.09181	0.6
225.12898	0.7
226.10022	0.7
227.10887	0.5
229.12448	1.5
230.12784	0.3
231.10352	1.6
233.11859	1.0
236.08446	1.2
237.12994	0.5
238.13705	0.5
239.10660	1.7
239.14404	1.2
240.11533	2.5
241.12341	2.8
242.12778	0.3
245.11862	0.5
248.12007	0.7
250.09982	0.6
251.10799	9.4
252.11298	0.8
253.08768	1.0
254.09544	1.2
255.13922	5.2
255.17659	0.6
256.14359	0.8
257.11877	1.2
257.15491	4.6
263.14502	1.1
265.12363	10.1
266.13101	9.7
267.10309	2.5
267.13467	0.9
268.10977	0.9
269.11856	31.6
270.12192	3.6
271.13376	0.5
271.16937	0.4
281.15503	14.0
282.12665	7.8
282.15894	1.0
283.13409	7.0
284.14203	25.6
285.14554	2.6
297.15009	0.6
298.12231	1.1
299.16544	100.0
300.16891	10.9
308.10846	0.4
310.12119	2.2
313.10883	4.3
314.11053	0.5
325.14447	4.1
326.15036	0.6
328.13171	5.1
343.15515	43.6
343.21310	1.3
344.15790	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	343.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
57.98162	1.0
59.01377	6.4
69.69319	1.1
70.20924	2.2
70.21276	2.2
71.01387	14.9
73.02963	3.0
73.62644	0.9
74.92006	1.0
79.83080	0.9
80.02713	1.6
81.03457	2.1
83.05047	4.3
84.02176	1.8
85.02982	2.2
95.05017	6.3
97.02964	1.9
97.06579	2.1
106.04239	2.2
109.02981	1.2
109.06633	1.6
110.03744	4.8
111.04532	2.5
111.08186	2.8
115.00383	1.9
123.08203	3.2
125.09711	1.7
127.11307	1.1
137.09818	1.0
153.09267	1.1
155.10854	1.5
165.12852	3.8
167.14442	2.4
171.10295	21.9
172.10677	1.2
175.11221	1.5
177.12880	9.5
183.13872	9.1
184.14178	1.6
185.11832	3.4
187.09775	1.6
193.12276	2.9
195.13942	3.8
199.09819	1.1
201.11357	5.6
203.05878	1.3
203.10818	5.8
209.11806	1.1
211.13361	7.2
213.11331	3.0
221.11836	37.3
222.12169	4.1
223.13506	1.0
225.15070	1.7
227.12845	6.9
227.16519	2.4
239.12892	100.0
240.13326	8.1
245.13841	1.5
266.13266	1.2
271.15451	10.4
275.12991	1.8
293.13971	1.8
299.16519	3.7
325.20114	2.4
343.17484	17.8
343.21289	35.1
344.17953	2.2
344.21658	3.6
350.29880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03457	3.1
59.01385	34.9
61.41705	1.5
61.88963	1.5
64.75415	1.7
66.52470	1.5
71.01402	4.7
71.05037	3.8
72.99339	4.7
83.05045	4.7
84.35567	1.3
85.02981	4.4
86.10844	1.4
93.03487	1.9
95.05061	3.8
97.06602	2.3
99.08232	1.8
99.92612	2.3
111.04573	6.2
115.00422	2.3
123.08142	1.5
129.09296	3.2
165.12947	2.8
169.12396	1.8
171.10350	5.9
172.10643	1.8
183.14020	5.8
185.11876	4.6
191.07185	2.0
191.18117	4.3
197.11874	2.4
201.11404	2.5
209.11946	3.4
211.13451	2.3
213.11369	2.0
227.12953	7.9
229.14565	1.9
237.15010	2.3
237.18684	10.0
259.15326	1.8
265.18311	6.0
269.29028	1.6
283.19290	9.1
284.19714	1.8
289.18204	1.8
299.12976	2.0
301.20224	100.0
302.20688	8.9
325.20364	3.5
343.15417	3.9
343.21429	67.5
344.21793	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03468	0.6
59.01370	1.2
69.03446	1.4
72.02656	0.5
80.20414	0.5
83.05050	0.9
97.06583	1.1
99.08163	6.0
103.69636	0.6
113.09773	0.7
114.06340	0.5
121.10242	6.1
124.48621	0.6
125.09711	2.2
125.30470	0.6
127.11317	1.6
128.27370	0.6
137.09714	2.0
139.11304	1.3
155.10812	0.5
158.60451	0.5
165.12863	0.8
171.10281	36.0
172.10600	2.1
175.11241	0.9
193.12346	11.6
194.12712	1.1
201.11322	0.7
211.13380	2.1
225.14969	15.6
227.12808	0.9
243.16037	4.8
247.09769	0.9
262.12036	1.0
293.21243	3.9
299.16660	1.6
311.22357	0.7
343.16241	3.4
343.24915	100.0
344.16043	0.6
344.25256	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
73.84061	1.0
82.85615	1.1
84.51969	1.0
95.47542	1.0
99.08167	2.6
121.02969	1.4
121.10244	6.9
127.11305	1.5
137.09727	1.7
139.11307	3.2
170.73082	1.1
171.10287	46.6
172.10678	2.3
193.12344	7.2
225.14970	6.4
243.16011	3.8
247.09773	4.1
262.12064	2.5
289.18100	5.8
293.21301	2.0
299.16678	1.9
343.15973	5.8
343.24905	100.0
344.25220	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	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.7
69.90102	2.5
83.78809	1.1
121.10254	11.6
122.81970	1.1
125.09747	1.2
127.11292	2.4
137.09720	2.4
139.11279	1.5
171.10283	68.2
171.68790	1.1
172.10617	3.6
233.49550	1.0
247.09807	1.4
262.12131	2.0
293.21176	1.1
295.25937	1.1
299.16583	1.5
343.15741	2.7
343.24921	100.0
344.25269	13.9
345.38190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71307	100.0
122.66801	31.3
175.38118	29.4
183.10732	32.3
183.18053	39.2
257.50903	30.5
358.36755	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	344.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05651	1.1
56.73668	1.0
57.03454	1.0
58.02691	1.2
58.02975	19.5
58.04362	0.9
59.01373	3.0
60.34634	0.9
60.45385	1.1
69.04349	6.6
71.01386	2.9
73.02954	2.2
73.04060	3.4
74.02481	13.6
75.00871	3.9
82.06611	1.6
85.02954	3.7
87.05638	2.0
88.04045	100.0
89.04387	1.7
98.02470	1.8
98.22648	1.8
101.02444	2.0
101.07190	1.5
108.08160	1.8
115.05132	2.4
116.03579	1.5
118.05140	1.2
121.02972	14.1
126.04345	1.1
126.09326	1.4
128.03531	2.2
129.06702	2.1
129.10378	5.1
134.57721	1.1
138.03206	1.2
143.11902	6.0
147.03027	3.0
152.07190	12.3
153.05597	10.8
157.13469	11.1
158.49257	1.2
165.04034	3.5
167.11867	1.3
168.11484	1.3
169.09807	1.7
182.02065	1.4
183.11423	1.6
197.04564	26.9
201.12457	12.3
210.12550	1.3
211.10866	9.0
212.76411	1.1
214.15648	21.1
225.16023	2.7
256.16687	2.5
256.20316	2.5
300.15701	91.6
300.19150	7.9
301.16019	7.0
344.18222	8.1
344.21823	1.4
345.08292	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	344.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69728	14.1
69.90366	12.6
70.07028	16.3
70.07362	26.7
79.02457	13.4
186.10954	15.8
246.44823	13.3
268.49026	13.7
344.21985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Aucubin
Peak:m/z	Relative Intensity
50.53860	0.6
53.38566	0.7
55.01891	1.3
57.03447	2.1
58.00601	2.0
59.01383	100.0
60.01717	0.9
69.03478	0.8
69.79728	2.2
71.01387	71.4
72.01748	1.4
72.99323	2.0
73.02962	2.5
75.00919	0.7
81.03482	0.9
83.01408	2.7
83.05037	2.8
85.02959	13.1
87.00878	1.2
89.02451	68.5
89.43273	0.7
90.02810	0.8
91.05517	0.8
92.12395	0.7
93.03471	8.9
95.01393	6.5
95.05055	3.1
95.86119	0.6
97.02957	1.5
98.22516	0.9
99.00887	17.0
101.02449	30.0
107.05054	3.2
108.02174	0.8
109.02925	0.8
113.02460	30.6
117.12206	0.7
119.03516	26.4
119.05009	15.8
120.05367	1.1
121.02966	38.9
121.06635	1.9
122.03791	8.4
123.04523	6.3
131.03514	2.2
133.06642	2.4
135.04546	4.6
137.06100	12.5
139.04031	14.5
143.03503	3.8
143.04956	1.0
147.04567	2.6
149.04620	2.1
150.03285	1.2
161.04607	7.4
161.06120	7.1
165.05582	81.4
166.05954	4.0
179.05652	9.4
179.07126	1.6
183.06628	10.5
183.08102	1.0
189.05626	0.8
206.01050	0.8
207.06685	4.3
345.12048	1.3
345.15695	5.8
353.95093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Aucubin
Peak:m/z	Relative Intensity
55.01890	0.7
57.03454	1.0
59.01383	40.1
60.01723	0.7
68.99820	9.6
69.03474	1.1
69.51951	2.3
71.01385	25.6
72.99320	0.8
73.02943	1.9
83.01399	0.9
83.05022	0.6
85.02956	100.0
86.03290	1.6
87.00893	0.9
89.02452	24.5
93.07101	0.5
94.27927	0.5
95.01389	2.5
95.05029	5.2
95.06013	0.5
97.02950	3.7
99.00925	0.6
101.02455	9.9
106.71696	0.5
107.05019	0.8
109.06613	1.3
111.04541	3.3
113.02461	8.7
113.06084	2.1
119.03510	8.2
119.05032	1.6
119.87615	0.5
121.02945	1.8
121.06595	7.6
122.03750	11.2
123.04522	1.9
124.01677	3.3
125.02470	2.2
131.03529	0.9
135.04539	1.3
137.06091	25.0
138.06461	0.9
139.04018	12.1
139.05009	0.9
143.03514	1.2
147.04506	1.2
149.04491	0.6
150.03224	1.6
159.03001	1.1
161.04585	2.9
161.05771	0.6
165.05577	36.8
166.05925	1.0
179.05614	1.7
183.06648	6.1
189.05440	0.6
207.06699	1.2
240.11066	0.5
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	6-Deoxycatalpol
Peak:m/z	Relative Intensity
55.01889	3.8
57.03453	8.4
59.01384	100.0
60.01721	2.3
61.98837	8.0
63.60081	0.6
67.01896	0.9
68.99831	1.1
69.03471	3.6
69.04325	0.7
70.32742	0.7
71.01386	27.6
72.99330	1.0
73.02958	4.7
73.22065	0.6
75.60011	0.6
78.95914	5.9
81.03470	10.3
83.01408	2.3
83.05042	7.8
84.02183	3.4
85.02958	55.2
86.03313	0.8
89.02454	13.5
93.03471	3.4
95.01408	2.0
95.05044	7.1
96.96979	1.3
97.02962	18.4
99.00907	1.8
99.04523	12.7
100.38729	0.7
101.02454	10.2
106.04228	0.8
107.05040	1.1
109.02979	2.3
109.06609	2.0
111.04536	32.6
112.04859	1.1
113.02466	9.7
119.03511	3.4
119.05043	1.1
121.02963	7.5
121.03606	0.6
121.06601	6.2
122.03799	2.2
123.04553	4.1
124.01694	2.4
125.02479	5.9
125.06128	2.6
126.98942	0.8
127.05206	1.2
129.10442	0.9
134.04785	2.7
135.04544	1.7
137.06104	17.6
139.04034	35.9
139.07570	1.3
141.00487	2.4
148.04797	0.8
148.06464	0.8
153.05627	2.7
154.07130	0.7
154.94310	0.7
155.07217	1.6
156.25800	0.7
157.03632	2.9
158.03799	0.7
159.01494	2.0
159.03299	3.1
161.01208	1.0
161.04587	5.9
161.05798	1.0
165.05586	28.6
174.99268	1.0
179.05711	0.9
179.07220	1.2
183.06645	19.4
183.08281	1.1
184.06937	0.7
184.63437	0.8
188.46815	0.7
196.14581	1.3
201.02576	38.5
202.02719	11.8
202.98859	2.4
203.02306	36.4
204.00108	3.2
204.02715	1.4
207.06729	1.6
211.00121	4.3
265.54163	0.7
279.83670	0.7
285.08319	1.5
345.04001	2.0
345.10721	1.1
345.17886	2.0
346.05573	1.1
357.11581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75749	0.4
55.01883	1.9
56.20150	0.3
57.03180	0.8
57.03451	13.0
58.08937	0.3
58.74998	0.3
59.01382	7.7
59.19151	0.5
68.99818	0.5
69.19716	2.1
71.01392	3.3
72.99305	1.7
73.02947	1.0
75.00877	1.9
83.01395	2.7
83.86266	0.4
84.02171	2.1
85.02958	100.0
86.03307	1.8
87.00886	1.3
88.90495	0.4
89.02429	0.5
90.87176	0.4
98.21895	0.6
101.02452	1.1
103.00406	1.9
111.00895	4.7
115.00379	0.8
125.44017	0.4
129.00987	0.4
129.01945	7.7
147.03015	9.2
151.44243	0.5
153.09216	3.6
173.00932	1.7
191.01985	21.4
192.02278	0.7
232.85336	0.4
264.48300	0.4
345.23196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29036	0.8
54.33567	1.0
55.01884	5.7
57.03429	2.3
59.01386	79.6
63.67252	0.9
70.09013	1.7
71.01389	50.5
72.99301	1.6
73.02956	13.9
79.33761	0.9
83.01392	8.5
84.02252	0.9
85.02959	24.7
87.00890	1.2
89.02454	25.3
95.01395	3.1
97.02976	1.1
99.00908	4.1
101.02456	44.5
113.02463	23.2
119.03515	10.8
121.10240	4.1
125.02503	1.0
131.03448	1.2
139.11365	0.9
143.03484	1.1
159.03024	2.1
161.04585	7.5
165.09248	3.8
183.10355	1.6
188.69951	0.9
301.16501	1.7
315.75140	0.8
327.32892	0.9
345.15567	100.0
346.15866	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.3
55.20760	0.6
55.25857	0.6
57.03430	2.4
59.01384	80.8
60.01711	1.0
71.01389	42.3
72.99303	2.1
73.02948	12.7
83.01385	6.1
85.02956	16.1
86.00090	1.3
87.00902	1.6
89.02452	30.3
93.03443	1.8
95.01401	4.0
97.02924	0.8
99.00877	3.0
101.02453	38.1
102.02779	1.0
104.45462	0.6
113.01733	1.0
113.02468	16.0
119.03514	14.3
121.10271	4.5
131.03506	1.6
139.11327	0.8
143.03529	1.5
145.01465	3.7
155.10818	3.5
161.04568	2.1
165.09224	10.2
183.10313	3.6
235.13390	2.2
246.12599	0.9
247.13480	4.8
253.14407	0.9
259.13449	0.8
261.14932	4.7
272.10733	1.0
301.18045	1.6
327.15839	1.7
330.14661	1.3
345.15530	100.0
346.15878	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61252	0.3
57.03450	0.5
59.01382	1.7
60.89494	0.2
66.63570	0.2
66.82945	0.2
69.48342	0.9
71.01388	1.3
71.04995	0.2
73.02937	1.1
73.74847	0.3
83.01373	0.4
83.05031	0.6
83.96318	0.3
85.02939	1.9
89.02434	0.7
93.03468	0.7
97.25678	0.3
98.03754	0.8
98.22636	0.5
99.04504	0.8
101.02445	0.9
102.97468	0.3
113.02430	0.4
121.02965	0.5
121.10223	0.8
133.05321	0.5
135.08231	0.5
137.09836	0.3
139.11314	1.4
145.01418	0.4
153.09187	1.7
165.09235	3.1
172.20186	0.3
183.10274	100.0
184.10597	5.7
197.04605	0.5
209.07956	0.3
212.16548	0.3
229.14395	0.4
232.11078	0.3
235.13396	0.8
245.11882	0.4
247.13402	1.8
257.13031	0.3
259.13397	0.6
261.14944	2.0
262.15070	0.3
272.10443	0.4
286.12088	0.6
297.14813	0.3
301.14560	0.7
327.15851	0.5
330.14828	0.7
333.91061	0.3
345.11127	0.7
345.16669	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.6
57.03437	4.4
58.00596	1.3
59.01384	90.7
69.03445	1.1
69.07042	6.7
71.01388	70.1
72.99292	1.6
73.02953	19.0
73.16180	1.0
76.71462	1.0
83.01396	10.5
85.02956	30.0
86.00114	1.7
87.00892	1.4
88.46283	1.0
89.02454	29.4
95.01380	5.2
98.21867	1.8
99.00896	7.2
101.02448	56.8
110.84540	1.0
113.01715	2.2
113.02460	26.3
119.03520	15.0
121.10249	6.9
125.02447	2.0
129.26120	1.1
139.11345	1.7
143.03511	2.3
157.08684	1.6
159.03009	3.0
161.04591	11.0
179.05653	1.3
183.10277	3.6
188.63120	1.1
229.14442	6.5
247.13362	2.8
261.14825	3.3
301.16614	2.6
334.40616	1.4
343.26028	1.1
345.15549	100.0
346.15933	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17493	0.7
53.67435	0.7
55.01859	2.9
55.62505	0.6
57.03427	2.6
58.00574	0.7
59.01382	91.3
69.20698	4.5
71.01385	39.3
72.99296	1.6
73.02933	2.6
83.01403	3.9
85.02477	1.3
85.02953	19.4
89.02448	31.7
93.03448	4.7
95.01366	2.9
96.36206	1.0
97.02941	1.1
101.02449	23.9
101.36803	0.9
113.02459	13.2
115.75926	0.8
119.03506	14.0
121.10200	1.7
131.03503	1.3
135.08253	1.2
149.06044	0.9
157.08609	1.2
165.07930	1.2
165.09216	14.7
172.47314	0.8
183.10258	2.9
209.08131	0.9
217.08606	1.0
219.10136	1.4
224.42529	0.8
227.27199	0.8
229.08748	1.1
229.12331	1.1
229.14352	3.1
231.10272	1.4
232.10944	2.6
233.11884	0.9
235.13371	6.8
244.10957	1.7
245.11816	3.6
246.12555	2.8
247.11015	1.2
247.13370	13.0
248.13577	0.9
259.13428	2.6
261.14935	16.3
262.15366	1.6
268.10959	1.3
272.10471	2.9
283.13116	1.0
286.12128	5.3
287.12778	1.6
298.11981	1.9
301.14392	2.9
315.15848	1.9
316.13193	2.4
327.15836	3.4
330.14685	4.2
345.15506	100.0
346.15918	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23069	0.6
54.99405	0.5
55.60886	0.5
57.03453	0.8
59.01384	5.6
69.61847	2.2
71.01389	18.3
85.02946	1.6
85.21980	0.5
89.02442	2.4
95.01374	0.6
96.39208	0.5
101.02468	2.2
113.02396	0.8
115.00388	6.4
119.03515	0.8
121.02956	1.0
125.09711	1.4
127.11282	1.7
132.01634	0.6
133.01402	0.6
155.14386	0.7
165.09183	0.7
167.14426	1.3
171.10268	1.6
178.51880	0.6
183.13919	0.6
193.12245	0.6
209.11781	1.3
211.13419	6.5
229.14458	100.0
230.14818	6.0
242.05901	0.9
247.13379	1.1
257.08090	0.9
261.15018	1.1
301.07202	3.0
308.34286	0.6
345.15640	5.8
352.54498	0.6
364.96729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80285	0.8
57.03453	2.2
59.01373	3.3
69.03444	0.9
71.01389	16.9
73.02943	1.2
85.02955	9.3
89.02491	0.9
93.03461	3.5
97.02956	1.3
98.32045	0.8
101.02435	1.9
111.29618	0.7
113.02478	1.6
115.00384	5.3
133.01439	0.8
135.08180	1.0
145.02957	1.0
153.12924	1.3
155.14470	2.3
163.03964	1.6
171.10287	0.9
172.10501	1.0
183.13991	4.1
197.11877	2.4
199.13441	3.0
205.12361	1.0
211.13416	3.3
227.13000	1.6
229.14449	100.0
230.14801	6.3
232.11034	2.7
233.11797	1.6
235.13354	2.5
245.11685	1.2
246.12532	1.0
247.13408	10.0
248.13686	0.9
249.14980	2.0
259.13342	1.2
261.15005	9.2
272.10547	2.1
283.13452	1.2
285.11319	1.1
286.12207	2.6
287.13004	1.3
291.63516	0.8
301.14435	2.5
302.15390	1.1
315.16092	0.9
316.13107	3.1
325.84802	0.9
327.15863	4.1
328.16370	1.4
330.14819	1.3
342.74377	1.0
345.16971	16.6
345.22354	4.5
346.17380	2.1
360.15347	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.88116	0.2
57.03438	0.3
59.01384	0.5
61.06931	0.2
62.66556	0.2
67.09679	0.2
71.01384	8.4
83.01382	0.3
83.05035	0.3
83.94830	0.2
85.02972	0.3
101.02425	0.3
102.28724	0.2
104.91706	0.3
115.00378	6.0
133.01437	0.5
134.03703	0.6
135.04515	0.3
139.11238	0.2
155.10837	0.3
165.12877	0.4
167.14427	20.2
168.14774	1.6
185.15474	0.6
211.13406	24.9
212.13799	1.9
213.15076	0.5
229.14452	100.0
230.14806	5.9
233.15321	0.2
247.13472	0.4
257.11703	0.3
257.15482	0.3
261.15076	0.3
299.16583	0.4
301.18311	0.3
309.14987	0.4
327.16010	1.1
345.17264	2.9
345.22672	0.8
346.16983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83803	0.5
57.03437	1.0
59.01361	1.1
70.11934	1.3
71.01391	24.9
85.02962	7.7
89.25558	0.5
93.03461	5.0
95.05045	0.9
97.02975	1.5
97.06600	1.3
115.00374	6.7
116.35483	0.6
125.09686	0.7
127.11309	1.0
145.05344	1.1
155.14462	1.0
160.04079	1.0
161.04820	1.6
163.07681	0.8
164.08429	0.7
171.10263	1.7
183.13939	1.2
185.11816	2.2
189.04332	1.5
199.13370	1.3
209.11829	1.1
211.13440	5.8
212.13747	0.8
229.14464	100.0
230.14865	5.6
231.10335	1.4
232.10994	2.0
233.11864	2.6
235.13399	2.0
244.11128	0.8
245.11810	1.1
246.12589	1.0
247.13422	6.5
257.11734	1.0
259.13422	1.7
261.14865	4.8
268.10992	0.9
269.12125	0.8
271.13470	0.7
272.10541	1.2
283.13477	1.1
286.12195	1.9
287.12842	0.8
292.66669	0.7
301.14474	2.3
301.17953	0.8
312.13708	1.5
316.13165	2.2
327.15973	4.3
330.14798	1.8
345.17322	14.4
345.22430	2.1
346.17523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15658	1.6
55.01884	2.1
57.03448	7.5
59.01382	100.0
67.88972	2.0
69.57083	6.2
71.01386	60.2
73.02942	2.0
79.49568	1.9
83.01392	2.4
85.02955	41.6
89.02456	48.9
93.03450	16.0
95.01395	4.5
97.02953	6.5
97.06606	2.1
101.02451	30.8
113.02482	15.3
115.00387	4.4
119.03529	20.5
130.53525	1.8
135.08138	4.6
137.09676	2.1
143.03526	1.7
149.06033	3.1
155.10815	1.8
161.06111	2.0
162.34666	1.9
163.07559	2.1
165.09340	1.7
171.10303	1.8
180.33885	1.6
183.10281	1.8
183.13881	2.5
185.11855	11.9
188.08444	1.8
201.11353	1.7
203.10655	2.8
209.08186	4.4
211.04077	1.8
211.13402	52.0
212.13704	4.4
213.09406	1.7
217.08731	5.5
219.10205	3.3
219.20734	1.6
229.08734	4.9
229.12354	3.9
229.14470	5.7
230.09415	2.7
231.10207	8.2
232.11023	10.1
233.11726	5.6
235.13402	19.7
244.11049	4.3
245.11797	7.7
246.12663	14.8
247.13409	47.4
248.13776	4.3
253.08701	3.3
254.09406	2.7
257.08258	2.1
257.11838	2.8
259.13474	11.6
261.14960	59.5
262.15213	5.8
268.11063	4.2
271.09756	4.8
271.13376	2.0
272.10568	16.8
273.11020	2.7
283.13412	4.0
284.14258	2.2
285.11407	4.5
286.11996	13.9
287.12912	6.9
298.12292	3.1
299.16461	4.2
301.14465	12.5
301.17834	3.1
302.15073	6.7
312.13599	2.3
315.15964	5.0
316.13116	8.4
325.07489	1.9
327.16052	18.9
328.16800	2.1
330.14725	14.1
345.16116	85.9
345.23138	5.2
346.17062	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77762	0.9
52.59778	0.8
55.01882	2.6
55.93752	0.9
57.03443	1.5
59.01383	100.0
69.11610	3.7
69.12012	1.9
70.49044	0.8
71.01384	47.1
72.99291	1.8
73.02963	5.0
83.01392	5.4
85.02451	1.7
85.02950	12.8
87.00893	1.4
89.02451	39.1
95.01388	3.6
98.20076	1.0
99.00879	1.8
101.02449	31.3
102.82760	1.0
113.02459	17.5
119.03515	16.6
121.10238	9.9
131.03452	1.4
143.03500	1.9
161.04582	2.6
165.09225	7.1
179.05594	1.7
187.83020	1.0
197.04570	1.2
229.03380	0.9
231.19215	1.1
257.12961	1.7
271.47293	1.0
345.15540	69.6
346.15921	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	345.171
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
59.01364	2.8
67.01917	3.3
69.70763	8.8
73.02950	7.4
80.02628	2.3
85.02945	3.6
85.06593	12.4
87.04507	2.8
94.85168	2.7
95.05038	22.9
96.02174	4.3
97.06616	16.7
111.08159	8.4
121.06601	5.2
121.80040	2.2
123.04482	2.6
125.06064	7.4
126.05534	2.5
137.09703	2.8
139.04048	10.2
139.07664	100.0
140.08000	5.9
151.07637	6.0
163.07646	2.9
165.09261	2.9
171.10275	2.9
173.06055	8.9
185.06085	3.9
186.06839	6.8
193.08614	3.1
201.05707	2.8
201.09225	9.6
205.12422	3.8
208.11140	2.5
223.13448	9.5
229.08704	28.3
230.09457	13.6
231.10165	7.4
271.13538	5.5
273.14890	2.9
287.12897	3.1
289.14365	3.8
297.11371	3.4
298.11752	2.7
299.16467	5.4
301.18250	2.6
309.20773	3.5
312.13672	6.5
315.12189	4.1
327.16043	69.6
327.20004	3.6
328.16351	7.2
330.14807	3.3
345.17096	79.5
346.17496	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	345.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
56.06722	1.0
57.03439	1.9
59.01386	3.4
63.62841	0.9
69.03465	2.5
71.01415	1.2
85.02951	11.6
93.03468	11.1
97.02969	4.5
97.06595	2.4
108.61420	1.0
112.22256	0.9
112.87463	1.1
121.03022	1.2
122.10761	1.2
123.04407	1.0
123.08229	1.2
129.09216	1.1
134.03743	1.7
135.08153	2.4
144.05682	1.3
149.06122	2.6
151.07635	2.1
159.04520	4.6
160.05299	5.3
161.06136	1.5
163.07593	1.2
172.05316	25.7
173.06039	4.9
174.06865	2.3
175.07632	1.9
185.06082	3.0
185.09668	1.0
186.06863	2.9
187.03923	5.1
187.07658	1.7
199.07701	1.5
201.05591	8.4
202.06375	6.2
203.10838	1.1
204.04343	1.3
205.08568	1.1
211.13428	1.6
213.09229	1.3
217.08871	1.4
228.54698	1.0
229.08728	2.2
231.10405	2.4
232.11028	2.3
233.11850	5.2
235.13422	4.3
244.11086	1.3
245.11821	3.6
246.12570	3.5
247.13406	17.6
247.15958	1.2
248.13707	1.7
249.14983	2.4
249.59019	1.1
253.08794	1.5
254.09476	1.2
257.15558	4.4
259.13416	3.9
261.14966	13.2
263.64246	1.0
268.11014	2.1
271.13373	1.6
272.10593	2.1
281.15472	1.2
283.13409	100.0
284.13754	12.3
286.12183	5.2
287.12726	2.2
297.15118	1.3
298.12256	1.2
299.13095	1.2
299.16589	2.9
301.14481	59.0
301.17859	3.0
302.14990	6.1
303.22095	1.2
309.15070	6.8
312.13724	1.8
316.13174	2.0
317.17438	1.6
327.16037	28.5
328.16437	3.0
330.14749	3.6
345.17078	72.3
345.22623	3.3
346.17548	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	345.171
Annotation	Gelomulide J
Peak:m/z	Relative Intensity
57.38709	1.4
59.01371	4.7
67.01881	2.2
69.80222	3.2
69.80589	3.4
71.01387	5.7
73.02959	2.5
83.01358	3.6
83.05064	2.0
85.02966	9.0
86.76602	1.3
92.86547	1.5
93.03458	2.7
97.06577	1.8
113.06065	3.4
117.35715	1.3
122.03767	2.7
133.02965	3.4
134.03743	6.8
135.04532	7.3
135.08231	2.3
137.02490	2.6
148.05359	5.9
149.06079	4.0
150.06885	4.5
151.07690	3.5
153.09230	2.5
161.02448	7.4
163.07651	4.7
165.02051	1.8
165.09201	2.5
173.06110	1.8
175.07690	3.8
177.09190	4.8
179.03526	10.0
187.04070	2.6
187.07684	2.1
190.10097	1.5
191.07135	11.7
192.11534	3.9
193.08698	2.7
201.05574	6.9
203.07140	2.0
203.10878	1.7
211.13412	2.2
213.09236	6.7
215.10757	7.0
216.07957	2.7
217.08734	2.0
217.12355	1.4
219.10326	2.6
220.11050	9.3
228.11562	3.5
229.08699	4.1
229.12215	1.8
229.14291	2.0
230.09457	3.4
231.10239	7.9
231.13905	2.3
232.10965	3.9
233.11871	3.5
243.10371	2.1
244.11072	7.9
245.11795	5.9
246.12587	5.3
247.13359	9.2
249.15050	3.1
255.10286	5.1
255.13763	2.1
257.09564	1.7
257.11783	9.8
258.12521	10.6
259.13434	12.4
261.14978	6.8
264.13730	10.6
268.07452	2.7
269.11707	2.3
271.13370	4.1
272.10599	11.5
272.13776	2.8
273.14984	61.4
274.15341	6.5
283.09866	3.8
283.13568	3.3
283.17114	5.8
286.11972	2.4
287.12848	3.7
297.11353	43.6
298.11978	5.4
301.14496	19.6
301.17810	2.8
302.14957	3.5
309.15036	2.0
312.13785	22.2
315.12387	19.8
316.13135	55.9
317.13455	5.5
327.16040	21.9
328.16415	2.1
329.13852	2.0
330.14709	23.6
345.13962	3.8
345.17093	100.0
346.17538	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	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03456	5.9
59.01372	2.5
69.03466	2.2
70.34179	2.7
71.01375	4.7
73.21269	1.4
81.03465	3.2
83.01386	2.8
83.05050	1.9
85.02959	32.0
85.06589	2.8
93.03465	34.6
95.05042	1.7
97.02966	7.6
97.06605	7.6
99.00887	2.5
104.32495	1.3
107.05052	1.6
109.02965	2.7
111.04539	3.6
115.85857	1.2
121.06624	2.9
125.09741	2.9
133.06596	1.7
135.04556	2.5
135.08171	4.3
137.06062	1.7
137.09721	2.5
141.85016	1.1
145.06685	1.4
149.06105	3.9
151.07660	2.3
152.49652	1.2
160.39067	1.2
161.06137	2.2
163.07692	6.0
164.08330	1.5
165.09174	1.3
172.05281	1.2
173.09634	1.4
185.06146	2.2
189.05566	1.7
189.09216	2.5
191.07043	1.7
199.07599	1.4
201.09178	1.3
203.10820	3.6
207.13966	2.4
211.07668	1.8
215.07230	1.5
215.10756	1.4
217.08696	4.4
218.09486	2.0
229.08698	6.2
229.12352	3.5
231.10251	5.9
231.13852	1.6
232.11008	9.2
233.11829	19.5
233.15439	2.6
235.13387	7.9
244.11032	3.0
245.11887	7.5
246.12613	8.6
247.13408	42.8
248.13812	3.8
249.14946	1.6
253.08864	3.7
254.09377	3.3
255.10095	1.4
257.11728	2.8
257.15503	1.6
258.12363	1.6
259.13400	14.0
259.15906	2.2
261.15009	34.8
262.15317	2.6
268.10974	6.7
269.11880	5.9
271.09698	3.7
271.13287	6.0
272.10553	7.5
279.10251	1.8
281.15445	1.5
283.10074	1.9
283.13388	8.9
283.16766	2.9
284.14249	2.1
285.11301	2.5
286.12140	13.4
286.15085	2.0
287.12842	6.2
288.13461	1.7
294.12784	2.2
297.11478	2.5
297.14865	2.9
298.12100	5.8
299.16571	6.7
301.14395	9.8
301.17825	6.4
302.14944	2.7
309.14957	6.9
312.13821	8.7
315.15970	2.6
316.13184	7.7
317.17419	2.7
327.16019	40.3
328.16391	3.8
330.14804	11.5
331.15033	2.4
345.17065	100.0
346.17438	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	345.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40935	1.1
55.01878	2.8
57.03450	10.3
59.01369	3.1
69.03464	3.0
69.13562	7.4
71.01389	2.8
83.01396	1.6
85.02958	61.3
85.06554	1.3
86.03300	1.2
93.03471	30.2
97.02966	8.0
97.06582	4.1
98.21814	1.9
107.42074	1.2
109.06631	1.7
121.02985	2.2
123.08191	2.0
133.06580	2.8
135.08171	10.1
137.09763	1.1
138.05583	0.9
145.06590	1.2
147.08185	1.8
149.06082	3.2
151.07681	3.7
159.04449	1.1
161.06097	2.0
163.07639	2.3
164.08443	1.8
165.09184	2.1
177.05531	1.0
188.08324	1.2
189.05547	2.8
189.09235	2.6
191.07082	1.7
193.08701	2.2
201.05522	1.7
201.09308	2.3
202.09924	1.4
203.10786	6.3
203.14430	1.2
205.08774	1.7
205.12379	1.5
206.09427	1.2
209.08235	6.2
213.09076	2.1
214.10049	1.5
215.07225	1.7
217.08728	8.6
217.12360	1.4
218.09401	3.3
219.10275	4.1
219.13876	1.8
220.11122	2.1
221.11768	1.5
225.09227	1.3
227.25247	1.1
228.11621	1.6
229.08632	5.7
229.12376	4.5
229.14413	1.9
230.09502	2.8
231.10265	16.0
232.11086	13.4
233.11853	7.3
235.13397	38.6
236.13747	1.8
241.08736	1.8
241.12457	1.5
242.09494	1.4
243.10188	1.5
243.13913	2.8
244.10968	5.6
245.11806	15.8
246.12596	19.7
247.13385	82.1
248.13704	6.4
249.15021	6.7
253.08655	4.9
254.09412	4.1
255.10338	1.7
255.13899	1.7
257.08240	3.1
257.11868	3.5
259.13406	20.9
260.13852	2.2
261.14963	96.0
262.15378	7.7
268.11035	8.1
269.11823	2.6
270.12439	2.0
271.09872	5.6
271.13278	5.1
272.10577	28.1
272.13611	2.1
273.11154	4.9
273.14886	1.1
283.09869	2.1
283.13416	5.3
284.14145	3.6
285.11276	6.8
286.12112	25.9
287.12906	10.4
288.13596	4.1
297.14966	4.3
298.12131	7.9
299.12949	2.0
299.16504	3.5
300.13531	1.3
301.11194	1.0
301.14478	17.3
301.18057	3.5
302.15070	5.6
309.14890	1.4
312.13791	4.2
315.12500	3.0
315.16089	7.0
316.13159	12.8
317.13736	1.8
317.17386	2.0
325.14252	2.5
327.16037	24.7
328.16510	2.7
330.14752	29.2
331.15335	1.5
334.43021	1.2
345.17081	100.0
346.17444	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
57.03460	11.3
69.28352	11.5
70.23547	2.2
71.01357	3.5
80.47948	1.9
83.01365	2.8
85.02959	58.7
86.03318	2.5
93.03461	31.7
97.02980	6.1
97.06590	3.6
126.83369	2.1
135.08194	10.5
137.06056	2.8
149.06062	3.7
161.06166	3.1
163.07596	3.0
165.09259	2.1
189.05571	3.4
189.09190	2.8
203.10773	7.1
205.08752	2.9
209.08157	6.1
211.13492	4.9
217.08740	8.1
217.12201	2.4
218.09422	2.8
219.10329	4.7
229.08704	5.9
229.12364	5.9
230.09515	2.4
231.10254	15.3
232.11043	16.8
233.11783	5.5
235.13383	36.7
236.14008	2.8
242.33478	2.3
244.11182	7.6
245.11821	15.8
246.12610	25.4
247.13393	79.1
248.13744	7.5
253.08649	4.0
257.08209	2.1
257.11783	2.9
259.13391	22.8
260.13791	2.2
261.14954	100.0
262.15289	10.4
268.11115	7.4
269.11627	2.8
271.09729	6.3
271.13373	3.5
272.10605	23.4
273.11273	2.5
283.13394	6.8
285.11316	6.2
286.12131	24.5
287.12943	9.8
288.13586	3.0
297.14883	4.9
298.12079	10.4
299.12894	2.7
299.16394	3.0
301.14487	18.6
301.17758	3.3
302.15121	5.2
312.13669	3.4
315.12650	2.8
315.16022	11.0
316.13144	17.6
316.16318	3.0
317.17633	3.0
327.15997	28.3
328.16370	3.9
330.14719	26.9
331.15225	3.2
345.17087	97.2
346.17499	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03462	5.9
59.01374	2.7
65.03942	1.3
68.75834	1.2
69.03447	3.6
69.71358	1.2
69.91132	2.3
69.91516	1.2
71.01383	4.4
73.02932	1.9
83.01408	1.3
83.05013	1.2
85.02956	31.8
85.06579	1.9
93.03470	36.6
95.32779	1.0
97.02957	6.7
97.06587	4.4
99.00900	2.0
101.02406	1.3
107.05048	1.4
109.02956	2.5
111.04520	1.6
115.20859	1.0
121.03004	1.3
123.04550	2.2
123.08147	1.7
125.09785	1.4
133.06573	2.6
135.08191	4.5
137.02443	2.1
137.06065	1.8
137.09665	1.3
147.04543	1.2
149.06105	2.6
149.09734	1.5
151.07666	3.1
161.06088	2.7
161.09595	1.2
162.06796	1.3
163.07648	4.1
165.09198	1.6
173.06052	2.3
185.05920	1.5
185.09633	1.2
186.06895	1.6
187.07680	1.4
188.08456	1.2
189.05612	3.2
189.09218	1.4
195.10336	1.3
201.09215	2.5
203.07202	1.4
203.10838	3.8
207.10165	1.4
207.14040	1.3
209.08197	2.2
211.07680	1.6
212.08437	1.4
215.10742	1.4
215.12816	1.2
217.08743	4.1
217.12260	1.4
218.09261	1.7
219.13933	1.3
226.09988	1.1
227.10704	1.5
227.14465	2.5
229.08730	4.0
229.12331	3.3
229.14529	4.2
230.09567	1.3
231.10286	5.5
232.11073	6.8
233.11818	20.1
233.15524	2.6
235.13411	12.2
243.14008	1.8
244.11050	3.5
245.11827	6.6
245.15646	1.3
246.12593	6.9
247.13385	40.5
248.13701	3.8
253.08717	3.8
254.09514	2.1
255.10173	2.2
257.08255	1.2
257.11923	2.1
257.15533	3.4
258.12610	1.4
259.13467	13.1
260.13599	1.3
261.14975	37.1
262.15350	2.4
267.13904	1.6
268.11050	4.9
269.11780	3.9
270.12427	1.2
271.09802	4.4
271.13434	6.6
272.10590	7.3
273.11166	1.6
273.15121	1.5
283.10150	1.4
283.13351	4.9
283.16946	3.9
284.14038	3.0
285.11368	3.3
285.14960	6.8
286.12152	12.0
286.15195	2.3
287.12857	6.6
287.15961	1.1
294.12637	5.0
297.11316	3.7
297.14743	2.1
298.12106	4.5
299.13141	1.6
299.16458	7.1
301.14484	13.1
301.18130	24.4
302.15204	2.4
302.18423	2.3
309.14990	5.7
311.12912	1.6
312.13666	7.4
315.12460	1.6
315.16028	2.7
316.13162	6.9
317.17471	1.5
325.14136	1.3
327.16028	39.5
328.16324	4.8
330.14743	12.9
331.15173	1.5
345.17087	100.0
345.22763	5.4
346.17502	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46701	0.6
59.01385	53.9
60.01711	5.0
61.01824	1.6
61.98837	100.0
75.50380	0.5
140.26677	0.6
157.03613	0.8
158.03822	1.1
159.03389	2.3
161.01279	0.7
201.02563	7.8
202.02742	23.6
203.02303	25.9
204.00058	41.8
204.02641	6.8
205.00198	3.7
205.02802	0.8
299.45490	0.7
346.03976	0.9
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
56.72991	0.4
58.47244	0.4
59.01383	49.4
60.01716	3.9
61.01809	1.5
61.98835	100.0
69.59766	0.9
69.60162	0.7
71.01392	1.8
78.64506	0.4
78.95908	13.1
81.03481	0.5
82.17490	0.4
85.02969	2.0
89.02463	1.5
96.96959	3.7
97.03025	0.5
98.02495	0.5
101.02466	1.3
109.02968	0.6
111.04555	0.6
113.02468	0.7
119.03506	0.5
121.06615	0.6
123.04549	0.8
127.03996	1.9
134.04758	1.5
139.03963	0.4
141.00446	0.7
142.00650	0.5
143.00208	0.6
149.06116	0.8
157.03636	1.5
158.03799	1.7
159.01527	0.6
159.03310	2.7
160.01025	0.9
160.03606	0.5
161.01299	1.4
167.07143	2.8
168.01563	1.3
183.01535	0.7
184.01707	2.0
185.01259	2.4
185.98973	4.5
186.01619	0.6
201.02560	6.1
202.02739	20.1
203.02292	23.5
204.00014	40.5
204.02695	6.9
205.00214	3.1
205.02782	0.5
210.02637	0.8
211.00175	1.1
232.08228	0.9
242.06767	1.0
260.07779	0.7
285.98911	0.7
286.01715	1.0
286.05844	1.4
287.06265	0.4
302.08792	0.8
304.06821	3.0
305.06940	0.7
305.10141	0.5
307.39178	0.4
325.07852	0.5
327.99744	0.8
328.02942	1.1
346.00812	0.5
346.05008	1.6
346.08057	2.0
347.11182	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	346.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03435	3.7
57.86873	1.7
59.01384	40.1
65.03952	1.6
69.03475	3.2
69.58231	7.4
71.01393	33.3
72.04561	12.9
73.02963	3.3
78.95905	7.2
81.03459	6.9
82.02993	73.5
83.01406	7.2
83.03341	2.4
83.05033	19.3
84.05374	2.7
85.02962	23.1
89.02456	24.4
93.03470	3.6
95.01415	3.5
95.05038	2.4
96.97004	2.4
97.02974	14.9
98.02494	35.6
98.03207	3.6
99.00858	2.0
99.04571	2.0
99.47962	2.0
99.92604	30.6
100.04064	34.6
100.93264	2.0
101.02457	12.4
102.02835	2.4
102.73594	1.7
105.53738	1.8
106.04250	13.2
107.05032	5.5
109.02960	7.3
111.04535	22.6
112.04855	14.7
113.02477	12.9
117.57107	1.6
119.03533	7.6
119.05042	45.3
119.06319	1.9
121.06635	18.3
123.04538	5.5
123.08205	2.0
125.06128	1.8
126.00473	2.3
126.98974	2.1
127.04029	70.0
136.07716	5.8
137.06116	2.4
138.06493	2.1
139.03999	2.4
143.03525	2.5
149.06096	24.5
161.04565	8.1
165.05573	6.7
166.05920	6.2
167.07153	50.9
179.05597	1.9
182.03069	3.4
183.06668	1.9
184.06963	1.9
185.08162	2.6
189.93974	1.8
192.10313	6.4
195.64554	2.1
214.08470	13.6
218.08211	8.5
220.09825	15.7
232.08345	4.1
240.06496	20.3
242.08189	20.9
248.07701	3.4
260.07849	7.0
264.08792	100.0
265.09082	7.4
274.09415	2.0
286.07077	76.8
287.07355	3.4
302.08875	6.4
304.06769	21.4
305.07004	3.3
346.07858	25.3
347.01080	18.6
347.08008	2.7
347.13644	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56595	0.3
55.01884	2.0
56.53227	0.4
56.90367	0.4
57.03450	12.7
59.01383	9.1
65.84682	0.4
68.99821	0.5
69.21088	1.8
69.21499	0.8
71.01382	3.8
72.99298	1.7
73.02962	0.5
75.00872	2.4
83.01395	2.8
84.02183	1.3
85.02957	100.0
86.03281	1.9
87.00878	0.8
89.02468	0.4
92.36526	0.4
99.00878	0.7
102.98602	0.9
103.00378	1.4
111.00879	4.5
115.00374	1.3
129.01952	8.3
147.01843	0.6
147.03011	10.6
155.10773	3.6
173.00891	1.9
174.60442	0.4
191.01988	22.0
192.02425	1.0
223.13506	0.5
225.09109	0.5
243.10410	0.5
347.09247	0.4
347.13412	1.3
347.18213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01390	3.0
69.03475	0.4
69.84557	1.2
69.84912	0.4
71.01386	1.9
77.55285	0.4
81.03449	0.5
83.01369	0.5
83.05023	0.7
85.02953	1.6
87.00893	1.6
89.02449	0.6
95.05047	0.7
96.96002	0.5
97.02906	0.4
98.22569	0.5
99.00914	0.4
101.02480	0.7
105.07069	0.4
107.07456	0.4
117.01957	0.6
121.06563	1.5
123.08177	21.7
124.08508	0.9
125.02482	0.5
134.03748	0.5
141.09232	17.0
142.09555	0.9
161.04524	2.0
167.07156	6.0
179.05609	2.6
185.08199	100.0
186.08554	4.9
187.09848	0.6
347.13474	32.2
348.13797	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28620	0.7
55.01881	1.3
57.03453	11.7
59.01387	8.4
68.99828	0.6
69.22948	3.3
71.01386	4.4
72.99311	1.2
73.02950	1.3
75.00878	2.4
83.01389	2.8
84.02168	1.7
84.80058	0.6
85.02956	100.0
86.03286	2.1
101.02444	1.3
101.52254	0.8
103.00400	2.1
104.82758	0.7
111.00890	4.7
129.01958	9.3
147.03009	8.8
152.90431	0.6
155.10809	4.5
167.63223	0.6
173.00941	2.5
191.00220	1.3
191.01985	27.3
192.02295	1.2
203.09004	0.7
215.97205	0.6
218.43613	0.7
313.33743	0.8
347.13586	2.5
347.18646	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03450	6.2
58.71521	1.7
59.01382	67.1
69.03471	2.7
69.32821	5.8
71.01384	17.2
73.02956	6.4
79.95751	1.4
83.01381	3.0
83.05054	2.4
85.02962	32.5
87.00878	2.4
89.02461	1.8
95.01389	3.4
96.91234	1.7
96.95997	2.5
97.02951	2.0
101.02449	9.3
111.00901	2.1
113.02456	19.5
121.06633	3.8
123.08176	28.4
125.09701	1.5
129.01918	3.4
141.09225	15.7
161.04558	3.3
165.09258	2.0
167.07137	8.9
170.25847	1.5
171.10263	1.7
173.11839	5.1
185.08203	100.0
186.08559	3.7
199.09828	3.6
209.08199	9.0
227.09221	6.1
259.06253	2.3
287.11212	1.8
305.16104	2.5
347.08060	3.3
347.12567	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	347.1352
Annotation	3,4-Dihydroaucubin
Peak:m/z	Relative Intensity
54.94302	0.4
57.03440	0.5
58.00573	0.5
59.01383	32.6
60.01702	0.8
61.09762	0.5
64.30890	0.4
65.15455	0.4
69.03481	2.7
69.03986	1.8
71.01388	19.8
71.05036	0.6
72.99326	0.8
73.02961	1.2
79.05550	1.3
81.03468	10.6
83.01408	1.0
83.05025	0.7
84.02155	0.5
85.02958	3.6
85.06609	0.5
87.00880	1.6
88.04034	0.6
89.02451	19.7
93.03463	0.5
95.01402	1.4
95.05035	3.5
97.02959	16.0
97.06587	5.7
97.75007	0.4
98.03265	0.5
99.04527	32.6
100.04840	1.0
100.07666	0.5
101.02451	8.4
107.05033	1.3
108.02219	0.7
113.02463	6.3
113.06105	1.5
119.03505	6.7
121.06604	1.4
123.04536	50.2
124.04812	2.0
125.06095	1.8
127.04032	1.3
127.05051	0.4
131.03493	0.8
133.02939	1.4
139.07664	1.2
141.05592	100.0
142.05905	3.1
143.03496	1.0
149.04797	0.7
149.06094	5.8
161.04601	1.9
165.05618	0.5
167.07147	21.5
168.07469	0.9
179.05617	1.9
185.08202	40.3
186.08592	1.7
265.12009	1.2
347.13519	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03455	5.1
58.00628	0.8
59.01384	58.0
61.48782	0.6
69.03465	6.0
69.75813	2.2
71.01386	36.7
72.49020	0.7
73.02954	2.7
81.03461	9.7
83.01397	7.6
83.05035	17.5
85.02961	20.1
86.73199	0.7
87.00859	1.0
89.02454	30.2
91.33586	0.6
95.01384	2.3
95.05030	0.8
97.02962	7.3
97.06590	3.0
99.04550	1.8
101.02446	14.9
102.02096	0.7
107.05045	6.1
108.05327	0.8
109.02964	10.1
111.04451	0.9
113.02464	12.3
119.03512	10.6
119.05001	4.2
120.74176	0.7
121.06606	26.9
122.06960	0.8
123.04541	14.1
125.06110	4.6
127.04026	100.0
127.68169	0.7
128.04335	3.4
131.03502	0.9
139.07716	5.2
140.32651	0.7
141.05594	1.5
143.03514	1.9
149.06090	38.4
150.06430	1.3
159.03003	0.7
161.04593	7.6
167.07144	74.2
168.07529	3.0
179.05630	3.7
185.08185	3.0
191.59326	0.6
273.01215	0.8
274.01926	0.7
347.13501	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	347.1348
Annotation	Ajugol
Peak:m/z	Relative Intensity
52.97937	0.6
55.01873	2.6
57.03444	5.3
57.90842	0.7
58.00589	0.7
59.01386	60.4
69.03465	3.2
69.48830	1.3
69.49213	1.6
71.01389	33.0
71.63272	0.7
73.02950	2.9
75.63454	0.6
81.03467	8.5
83.01392	7.0
83.05033	18.2
85.02959	15.2
87.00883	1.9
89.02452	29.0
95.01393	2.6
95.04994	1.1
96.08955	0.6
97.02951	5.3
97.06584	2.2
97.87029	0.7
99.00884	1.2
99.04525	1.8
101.02453	13.2
101.99175	0.7
107.05043	5.5
109.02961	9.0
113.02472	13.1
119.03520	10.6
119.05006	3.6
121.06605	24.2
122.06973	0.6
123.04536	7.3
125.06088	3.6
127.04026	100.0
128.04387	2.0
131.03506	1.3
139.07654	4.6
143.03514	2.1
149.06099	32.9
150.06436	1.6
161.04559	6.7
167.07150	65.8
168.07515	2.3
179.05664	3.3
185.08195	2.8
211.84552	0.6
282.28918	0.6
347.13553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.135
Annotation	Angeloside
Peak:m/z	Relative Intensity
59.01388	2.1
69.03466	1.1
70.55749	0.8
71.01382	1.2
73.02953	1.1
79.95171	0.4
80.02679	0.4
85.02940	1.2
92.47629	0.3
95.01385	0.5
102.62329	0.4
105.07118	0.5
111.04525	0.8
113.02452	1.6
121.06570	0.8
123.08180	12.4
124.04013	0.4
124.08473	0.7
136.35493	0.4
138.10382	0.3
141.09236	13.6
142.09540	0.9
146.51877	0.4
161.59465	0.4
167.07173	3.6
185.08205	100.0
186.08554	4.9
199.09785	1.6
209.08240	1.0
227.09207	2.6
320.31567	0.5
347.12625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1351
Annotation	Angeloside
Peak:m/z	Relative Intensity
50.98244	0.8
53.25608	0.6
59.01382	16.9
64.92558	0.7
65.50420	0.7
69.03460	3.8
71.01386	34.7
73.02965	3.6
75.79016	0.7
83.01399	0.9
85.02963	5.8
86.02348	0.7
87.04520	23.6
88.04858	1.1
89.02452	6.6
95.05034	3.4
97.02969	5.3
97.03558	1.0
101.02449	5.9
108.02204	0.9
109.06655	1.1
111.04520	5.5
113.02473	4.4
113.06103	10.2
119.03490	3.0
119.05000	1.4
121.02959	1.4
121.06596	10.8
122.06087	1.0
123.04549	9.1
128.03505	1.9
133.02924	0.9
138.74883	0.7
139.07660	6.5
141.05592	44.2
142.05908	2.1
145.01511	0.8
155.74736	0.8
157.08728	2.1
161.04611	1.5
167.07144	31.6
168.07465	1.0
184.69185	0.7
185.02194	3.0
185.08199	100.0
186.08536	4.1
214.91090	0.8
236.37366	0.8
289.64325	0.8
296.18936	0.8
347.13474	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	347.1351
Annotation	Ajugol
Peak:m/z	Relative Intensity
55.01878	1.7
57.03447	14.1
59.01387	35.9
60.01703	0.9
61.98836	16.9
69.03464	19.2
70.84233	1.0
71.01389	23.3
72.99342	1.0
73.02953	1.3
78.95892	1.9
81.03465	27.1
83.01392	7.8
83.05036	27.3
84.02193	0.9
85.02960	18.7
85.62061	0.9
85.96013	0.8
87.00884	1.0
89.02458	15.9
93.03468	1.4
95.01382	1.6
95.05067	4.5
97.02962	73.0
97.06581	1.5
98.03301	2.0
99.04530	9.8
101.02452	10.5
107.05039	4.1
109.02972	8.4
111.04530	1.2
113.02472	8.8
119.03509	4.9
119.05034	3.1
121.06612	30.0
122.06929	1.1
123.04542	63.0
124.04845	2.0
125.06063	2.6
127.04029	100.0
128.04376	2.7
134.04738	3.5
139.07661	3.7
141.00302	1.0
141.05595	18.8
143.01912	0.8
149.06104	25.8
150.06444	1.4
161.04568	6.2
167.07153	68.4
168.07492	2.7
179.05736	1.3
185.08209	29.2
186.08591	1.1
203.02376	3.7
203.99971	3.2
205.00101	2.7
205.99832	1.5
216.03847	1.3
294.90656	0.9
296.80811	0.8
332.57141	0.8
347.13763	1.8
348.07965	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65920	0.5
55.01884	5.7
57.03445	3.9
59.01385	33.3
59.81657	0.5
69.03476	0.7
69.84007	1.8
71.01385	29.7
72.01718	0.5
72.99323	0.5
73.02948	15.2
81.41111	0.5
83.01390	9.7
84.99095	0.5
85.02959	19.5
86.00109	2.4
87.00869	2.0
89.02464	4.1
94.84653	0.5
95.01408	3.0
97.02946	0.7
99.00883	4.7
101.02454	37.8
111.00898	1.1
113.01723	0.9
113.02457	12.2
114.02798	0.7
119.03546	0.8
130.67345	0.5
143.03522	0.9
159.03006	2.3
161.04546	6.2
185.11813	1.9
222.82161	0.6
303.18127	3.1
347.17136	100.0
348.17477	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	7.5
57.03439	3.7
59.01384	55.1
69.27219	5.5
69.27626	3.2
69.48009	1.3
71.01389	42.0
73.02956	22.5
83.01395	12.6
85.02950	26.3
86.00082	3.9
87.00900	2.9
89.02460	9.1
91.47338	1.4
95.01395	5.6
98.22650	2.2
99.00883	4.2
101.02447	50.9
102.02745	1.9
113.02472	20.4
117.42341	1.3
119.03542	2.6
159.02983	2.4
161.04596	6.4
167.10745	4.6
183.41837	1.4
185.11917	1.5
217.14243	1.4
303.18152	5.6
347.17114	100.0
348.17441	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
57.03447	2.6
57.07911	0.6
58.00597	1.1
59.01388	29.8
66.77710	0.7
69.03490	0.8
70.60262	0.9
71.01388	21.6
72.99331	1.1
73.02960	11.4
74.50274	0.7
83.01398	6.9
85.02962	14.3
86.00101	1.8
87.00878	1.9
89.02454	2.7
95.01405	2.4
99.00898	4.1
101.02451	27.1
111.00906	0.7
111.94382	0.8
113.02456	10.2
120.30863	0.8
127.64563	0.7
129.01933	0.9
146.51051	0.6
161.04572	2.9
185.11829	2.7
213.61531	0.8
252.00659	0.7
303.18149	1.5
316.55832	0.7
342.23917	0.8
347.17130	100.0
348.17484	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44099	0.7
55.01879	1.9
57.03437	1.5
59.01384	100.0
60.01715	1.2
63.91920	0.8
69.25468	3.3
71.01389	47.4
72.01730	0.8
72.99326	1.6
73.02940	2.6
83.01392	2.6
85.02959	10.1
87.00874	1.3
89.02451	41.1
94.29973	0.8
95.01392	3.4
96.06563	0.7
99.00891	0.8
101.02449	30.1
102.02784	1.1
113.02451	16.3
118.38264	0.8
119.03514	22.6
131.03517	2.2
133.02913	0.8
143.03511	2.2
150.85455	0.8
161.04535	2.1
167.10789	29.0
168.11081	1.8
179.05629	1.9
185.11794	4.4
229.14383	1.1
231.15941	0.8
249.14473	0.7
254.44423	0.8
262.87833	0.8
347.17139	49.1
348.17447	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	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35752	0.7
54.36996	0.5
55.01877	5.5
57.03442	2.2
58.00613	0.8
59.01385	34.7
64.83446	0.5
69.03481	0.7
69.10431	3.7
71.01387	22.5
72.61015	0.5
72.99323	1.1
73.02954	11.3
73.86720	0.6
83.01396	9.3
85.02955	14.6
86.00111	2.7
86.00575	0.6
87.00881	1.4
89.02462	3.1
95.01420	2.2
97.02978	0.9
99.00908	3.7
101.02451	30.1
101.72167	0.5
111.00887	1.0
112.14837	0.6
113.02451	7.5
119.03513	0.6
159.02951	1.2
161.04576	2.5
185.11813	2.0
198.17867	0.5
217.37210	0.6
267.91885	0.7
303.18030	1.2
347.17145	100.0
348.17517	9.5
355.26569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45089	0.7
52.89071	0.7
53.22451	0.7
55.01890	1.0
57.03447	1.3
57.80788	0.7
59.01382	100.0
60.01702	1.6
65.58243	0.6
69.68264	1.6
69.68655	1.6
71.01385	15.0
73.02960	4.6
83.01404	2.3
85.02956	5.1
89.02444	4.9
95.01446	1.1
97.44543	0.6
99.00917	1.5
101.02448	9.1
113.02439	4.8
119.03530	1.8
131.03532	0.7
131.68729	0.7
135.04556	0.8
141.01981	0.9
143.10849	0.9
145.01480	0.7
161.04564	4.5
167.10797	4.0
305.16275	2.7
308.27606	0.9
347.12906	0.7
347.17096	19.1
348.17566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
56.38540	1.5
57.61359	1.5
58.82723	1.4
59.01357	1.8
67.01894	4.0
71.01384	17.1
71.41364	1.4
73.02962	3.3
75.80018	1.4
83.05016	1.7
84.10000	1.6
86.42955	1.9
92.45734	1.7
95.05042	5.5
96.87926	1.5
97.06596	6.7
109.06577	3.4
136.05290	3.7
137.09734	4.1
139.07744	2.2
149.09734	6.6
150.06892	5.6
151.07652	8.0
151.11290	20.2
163.07645	1.7
163.11259	9.5
165.09233	14.2
165.12854	4.0
175.07700	1.9
177.09158	2.3
177.12793	2.0
178.10007	3.1
179.10802	6.5
179.14464	2.2
181.12378	7.0
193.12366	4.8
207.13930	14.5
231.10239	6.0
245.15451	20.4
247.16899	3.1
249.11307	2.7
257.15436	8.7
273.14926	3.6
275.16562	65.0
275.19742	3.2
276.16891	5.5
276.91525	1.8
296.14209	2.4
299.12897	7.3
300.13620	10.6
301.18225	5.2
303.16409	3.1
303.19553	15.8
311.16721	3.3
314.15253	5.1
329.17593	36.6
330.17819	3.5
347.05716	5.2
347.18652	100.0
348.19028	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	347.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67118	1.1
52.06756	1.1
55.01875	2.7
57.03440	2.7
59.01383	7.1
61.23138	1.5
61.46711	1.2
61.98829	1.0
66.16967	1.0
67.01891	10.9
69.03463	3.6
70.06241	2.4
70.06607	2.1
71.01387	48.2
71.05030	21.1
73.02953	4.4
78.21363	1.0
80.02699	1.4
83.05040	4.4
85.02956	8.9
85.06590	5.4
91.87701	1.1
93.03469	3.1
93.56966	1.1
95.05038	31.0
97.06608	11.2
99.04578	1.1
107.05040	6.3
109.06609	6.3
111.04511	1.5
111.08176	1.9
121.02938	3.2
122.03753	4.4
123.08172	3.4
125.06167	1.2
127.07672	8.4
127.11266	1.8
135.08174	1.7
136.05324	3.1
137.06114	2.0
137.09752	4.8
139.04025	20.9
139.07658	4.4
140.04352	1.3
141.09247	16.4
149.06100	2.6
149.09735	4.0
150.06895	9.4
151.07672	16.9
151.11292	23.1
153.12852	15.2
153.23785	1.1
161.09688	1.6
163.07663	4.0
165.09210	18.7
170.28804	1.1
177.09248	4.0
178.10005	2.2
179.10725	1.8
181.16017	13.2
183.10297	5.1
187.07608	1.6
187.11290	2.6
189.12865	5.2
191.14330	1.5
194.13130	3.3
197.11876	3.7
201.12932	1.9
202.06363	1.8
203.14618	1.3
204.08078	1.8
205.08803	2.6
207.13921	13.2
213.16486	3.3
215.10789	2.1
217.12329	3.3
217.15942	1.3
219.13884	2.0
223.09702	2.0
225.14975	32.2
225.17053	2.5
226.15324	3.7
229.12370	2.3
231.10350	7.7
231.13806	1.6
232.11066	28.6
233.11600	2.2
233.15552	2.5
242.13298	1.7
245.15474	8.8
247.17088	1.5
248.14227	3.6
249.11400	2.2
249.15024	1.4
257.15466	17.0
261.15164	1.7
263.16510	6.3
266.15259	4.4
271.13373	2.5
273.14938	2.3
274.15573	1.6
275.16537	33.9
276.16873	2.7
285.15622	1.3
285.18652	5.3
299.12872	8.6
300.13626	14.4
301.18115	2.0
303.19681	14.0
311.16443	2.3
314.15253	6.5
329.17603	39.2
330.17966	4.3
332.16339	1.4
347.18643	100.0
348.18945	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	41.2
71.04330	25.8
95.05008	20.6
97.06579	36.4
100.24551	16.6
109.06593	22.9
115.23088	22.9
149.09749	28.1
150.06871	19.7
151.07649	51.8
165.09236	57.3
207.13942	80.4
299.12943	34.2
300.13495	35.0
314.15167	20.9
329.17572	100.0
347.18686	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
57.03445	1.9
67.01906	16.8
69.74912	4.1
69.75279	3.5
71.02017	1.9
71.05020	9.2
73.02949	5.1
81.03432	1.9
82.32581	1.9
91.70718	1.9
93.03419	3.8
93.22791	1.7
94.04289	3.3
95.05035	31.5
97.06589	28.0
98.21937	3.4
106.60931	1.8
109.02977	2.8
109.06605	19.4
125.06010	1.9
127.07678	2.6
134.07375	2.8
136.05299	5.8
137.09735	4.3
139.07701	3.3
149.09738	14.9
150.06871	22.3
151.07661	29.2
151.11313	14.2
163.07643	2.5
164.08377	2.1
165.09215	53.9
175.07622	5.4
177.09192	5.6
178.09935	6.2
183.10197	4.0
184.70181	2.0
193.08679	3.6
202.06326	2.5
203.10806	2.1
205.12440	2.6
207.13913	50.2
208.14258	2.7
209.93469	1.9
215.10757	3.1
229.12433	2.8
230.13101	5.5
231.10268	19.8
232.10776	2.9
249.11427	4.3
262.12302	1.9
271.13434	5.8
273.14911	3.8
275.16580	4.2
281.11884	2.7
285.14911	2.7
296.14233	4.6
299.12918	40.7
299.16330	2.8
300.13660	51.1
301.14047	5.2
311.16470	10.2
314.15247	25.7
315.15524	4.0
329.17587	100.0
330.17899	13.4
347.18594	12.8
348.18948	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72108	2.8
55.01894	4.6
57.03439	6.7
59.01380	3.3
60.84671	2.8
62.17645	3.0
67.01901	5.3
69.03458	5.5
69.82501	6.4
70.12267	3.3
71.05029	7.6
71.58514	3.4
72.02164	9.3
81.03457	17.2
83.01386	4.8
83.05035	4.5
84.02213	3.6
84.05871	3.3
85.02953	53.3
85.06597	49.8
93.03461	3.0
95.04494	3.1
95.05030	19.8
97.02943	10.3
97.06587	20.1
99.04522	23.8
107.05031	6.0
109.06585	6.5
111.04520	4.1
111.08168	50.0
116.49335	3.6
123.04519	3.6
123.08168	3.7
125.06102	18.9
127.07667	3.8
135.08165	10.1
136.05231	3.2
137.06053	5.6
139.07648	9.2
141.09238	51.7
149.09656	3.8
151.07674	15.4
165.09290	7.4
177.09210	12.3
179.10806	4.0
181.08687	9.6
185.41196	3.1
193.08791	4.0
201.09186	3.3
203.10995	4.5
216.07866	3.7
216.11453	3.8
219.10229	19.8
220.10834	3.3
223.13336	8.3
228.11884	3.5
229.00722	3.4
231.10280	12.6
231.13942	16.6
232.10986	4.5
233.11749	6.2
234.12555	14.5
235.09760	5.0
235.13428	4.6
243.13951	4.0
245.11523	3.6
245.15434	13.0
246.12617	14.6
247.13371	3.7
248.14134	4.8
249.11264	10.5
249.14972	50.7
253.12315	12.1
255.10310	9.4
259.13458	7.1
261.14975	45.4
262.15329	5.6
263.16562	7.6
267.13702	4.5
268.14709	25.2
270.12619	12.3
271.13428	85.1
272.13965	11.7
273.14938	4.2
281.11789	7.5
283.17175	6.7
285.11890	3.8
285.14905	16.5
286.12296	4.9
286.15762	12.7
296.14081	10.5
299.12900	23.7
299.16302	6.7
301.18103	56.4
302.18460	5.0
303.16077	8.9
311.16568	6.6
314.15259	41.1
317.13687	5.5
329.17630	48.5
330.18118	3.8
332.16132	15.6
347.18643	100.0
348.18951	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	347.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48420	19.7
61.09232	16.0
61.28803	14.3
61.98832	35.9
62.78640	17.1
66.20271	15.5
67.01884	19.4
68.92953	17.5
69.47675	39.4
69.48067	32.7
71.05031	22.3
95.05054	42.2
97.06603	18.1
100.80542	21.4
149.09697	20.2
151.07686	32.4
151.11319	19.7
160.33861	17.3
163.07660	21.0
165.09209	53.0
178.09906	15.9
207.13907	71.5
208.27728	22.5
231.10336	31.0
257.40823	21.9
283.37146	20.3
299.12885	26.8
300.13791	22.4
314.15057	23.6
329.17734	100.0
330.17810	21.4
347.18576	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1868
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
52.60399	1.2
55.01880	2.5
57.03447	2.7
59.70901	1.3
69.03457	21.0
69.33579	2.9
69.33965	3.5
71.05041	1.2
71.24905	1.2
76.01103	1.3
81.03468	4.4
83.05021	3.2
85.02958	6.6
85.06614	2.1
93.03471	6.0
95.05060	5.8
99.04549	1.8
101.02490	1.8
107.05046	3.0
110.77302	1.5
121.06612	1.9
123.08165	2.0
137.02396	1.5
137.09749	1.4
149.09744	1.8
151.07617	1.3
155.76857	1.6
161.02454	2.0
163.07657	1.8
163.11314	7.0
165.12852	2.5
179.14456	2.3
207.13773	2.0
209.15588	1.5
221.15463	3.4
229.15924	2.0
234.12492	1.7
235.17130	8.4
245.15356	3.5
247.17102	3.2
249.14946	2.9
259.17157	2.0
261.15012	4.4
263.16513	2.1
268.14728	2.4
271.13461	6.8
273.14908	2.3
275.20145	11.6
285.11740	1.5
285.15234	1.9
285.18604	6.1
288.17319	27.8
289.17596	3.2
299.12720	1.6
301.17993	6.5
303.19672	100.0
304.19940	8.9
314.15143	2.8
324.41922	1.5
329.17673	6.6
347.18646	81.9
348.18848	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03037	0.9
55.01846	1.0
57.03439	2.0
59.01367	1.4
69.03478	1.1
71.05010	1.0
78.72874	1.1
81.03452	1.3
83.01397	4.5
85.02926	1.2
85.06586	2.8
87.04500	1.2
95.05051	1.7
97.06589	8.7
99.04504	1.3
103.77363	0.9
105.83414	0.9
107.05032	3.0
109.06580	1.9
112.70129	0.9
121.06630	1.1
123.08189	1.1
123.34298	0.8
125.06079	1.8
127.07668	2.1
133.06607	2.6
135.08182	3.1
137.06088	6.7
137.09711	6.5
147.08176	12.8
149.09782	1.9
151.07651	3.0
159.08116	2.2
161.09744	1.8
165.09175	7.5
175.11278	4.7
177.09222	3.4
180.07953	5.4
181.59688	0.9
185.09776	1.4
187.07527	0.9
189.12903	2.5
194.09529	4.5
195.10309	5.4
199.11256	1.5
201.09225	1.7
201.12921	3.6
204.07979	3.4
207.13806	1.2
215.10779	2.7
216.07979	5.1
217.15973	20.5
218.13115	1.3
218.16287	2.0
219.10271	3.8
219.13896	1.7
227.14455	1.3
229.12318	7.4
230.13068	3.3
231.10263	3.5
231.13795	1.4
232.10936	1.8
233.11855	2.0
233.15472	2.8
235.17076	1.2
245.15477	100.0
246.15804	7.3
247.13414	3.9
248.14192	26.5
249.11360	7.0
249.14601	3.4
259.12985	1.0
263.16537	90.1
264.16855	9.6
281.11896	1.3
285.14938	2.0
296.14157	2.8
300.13687	1.2
301.18192	2.6
304.16742	1.3
311.16531	6.2
312.30597	0.9
314.15134	1.6
318.14633	1.6
319.19168	9.9
320.19391	1.4
329.17587	9.4
330.17981	1.0
332.16208	5.1
347.18649	51.0
348.18906	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	347.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20925	45.7
60.16567	31.2
61.98841	100.0
71.19827	33.0
71.38933	34.3
85.00417	46.8
100.26320	35.2
175.20988	36.7
201.58423	37.0
225.04352	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63636	23.1
58.99227	23.2
61.98829	30.1
72.27760	24.3
86.26459	24.0
88.78880	23.0
113.67570	27.7
135.86128	24.2
138.27800	23.0
165.09256	37.3
207.13963	42.2
265.05890	26.0
274.59146	24.9
300.13776	30.8
311.22296	100.0
314.15161	23.9
329.17532	66.0
342.70413	28.8
347.18326	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	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52535	15.4
51.00122	17.4
51.05583	19.1
54.43373	17.0
57.65637	15.2
59.01373	26.8
61.98813	19.3
69.83791	58.5
73.02867	16.9
95.05020	20.3
97.06617	27.2
98.22601	22.8
105.17122	19.7
106.29637	22.3
139.89857	18.1
165.09265	42.6
186.86458	18.8
205.55034	19.0
207.13954	39.6
231.10326	32.1
276.54010	20.7
299.12738	31.3
300.13644	38.3
309.20724	25.1
314.15259	32.9
329.17670	100.0
347.18243	54.0
347.22287	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.9
59.01382	100.0
69.57310	7.6
69.57694	5.6
71.01375	18.5
73.02960	4.6
74.08627	2.4
85.02966	11.2
89.02447	3.4
98.21876	4.9
101.02489	13.9
113.02489	8.1
145.62503	2.4
161.04584	7.3
187.13399	64.4
249.19196	2.9
268.91571	2.5
307.17685	8.1
335.15094	2.7
348.17358	6.1
349.18842	4.9
362.41986	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	348.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59863	0.2
52.92553	0.2
59.01377	0.8
61.98833	100.0
62.98534	0.4
63.99258	0.8
71.37985	0.2
71.45541	0.2
82.91550	0.2
146.95216	0.2
162.98477	1.5
164.96399	0.3
204.00034	1.1
204.95778	0.2
205.00137	2.8
205.99742	3.4
206.82391	0.2
206.97455	61.6
207.97566	4.8
236.88544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.3
57.03453	17.4
59.01387	71.2
63.93076	0.7
68.99828	0.9
69.03455	0.8
69.25020	2.5
69.25425	2.5
71.01389	8.1
72.99317	2.5
73.02952	2.5
75.00896	1.4
83.01408	6.1
84.02184	2.0
85.02961	100.0
86.03313	2.0
87.00920	1.3
87.04527	34.9
89.02470	1.3
101.02454	5.2
101.06079	2.1
109.06618	2.8
111.00893	13.5
111.18733	0.9
113.02478	2.0
125.09711	4.6
127.07655	3.2
129.01959	22.3
132.41132	0.8
147.02985	2.0
155.07172	9.8
159.03081	1.1
161.04539	2.0
173.00940	6.8
180.06757	1.7
181.06940	1.0
187.09796	11.1
191.02016	1.6
217.07152	10.3
261.06265	5.2
273.77444	0.8
307.17572	4.1
349.09225	1.0
349.14706	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14721	0.3
55.01874	0.4
55.38815	0.3
57.03454	3.6
59.01379	1.9
69.03457	0.7
71.01395	1.4
72.99316	0.8
73.02950	0.4
75.00887	0.3
79.93974	1.3
83.01373	0.5
85.02960	11.5
86.96465	0.4
87.00877	1.2
87.04526	5.4
95.05020	0.4
97.06593	7.3
101.02445	0.4
109.06592	0.5
111.00905	2.3
115.22388	0.4
123.08180	3.7
125.09737	63.0
126.10060	3.1
129.01961	3.5
133.06577	0.4
147.36661	0.4
151.19006	0.4
155.07124	0.9
161.04599	1.0
169.08740	1.8
173.00975	0.9
179.05612	2.0
187.09775	100.0
188.10117	4.0
217.07123	1.0
238.23843	0.4
261.06039	0.6
305.10376	0.4
344.90161	0.4
349.15076	22.4
350.11374	0.5
350.15512	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03455	4.0
59.01382	6.6
71.01390	4.0
73.02957	0.6
78.91938	0.5
83.01399	0.8
85.02957	14.7
87.00894	0.6
87.04536	4.5
89.02451	2.2
89.26183	0.4
95.01376	1.2
97.06597	7.1
98.21900	1.0
101.02450	1.8
109.06570	0.5
111.00901	2.2
113.02457	7.3
123.08161	3.5
125.09737	51.2
126.10088	2.0
129.01987	2.9
140.31184	0.5
143.10786	1.0
155.07179	1.2
161.04555	0.9
167.10791	3.1
169.08702	1.6
173.01042	0.6
185.08217	0.5
187.09773	100.0
188.10120	4.6
199.09880	0.5
201.11288	3.4
211.09760	7.2
212.10172	0.5
217.07214	1.5
229.10857	3.7
253.25961	0.4
261.05911	0.6
349.15247	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01389	3.1
60.48034	0.2
69.03469	0.3
69.29893	0.9
71.01386	1.8
73.02939	0.5
85.02965	2.3
88.91066	0.3
89.02448	0.8
95.01395	0.5
95.05081	0.4
97.06597	6.2
98.22665	0.5
101.02457	0.4
104.96258	0.2
113.02444	1.7
118.03290	0.2
123.08175	2.7
125.09737	55.6
126.10100	1.9
127.11322	0.3
129.80197	0.2
143.10788	1.0
167.10764	1.7
169.08708	1.1
187.09772	100.0
188.10130	5.5
191.53844	0.2
201.11325	2.3
211.09793	4.4
229.10815	2.1
243.10632	0.4
311.39987	0.3
312.20679	0.2
349.15021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32639	0.4
55.01867	1.9
55.02109	0.5
57.03437	1.4
59.01384	25.2
71.01388	16.1
73.02950	4.9
83.01388	3.3
85.02951	9.2
86.00098	0.5
87.00861	1.6
89.02448	4.6
95.01408	1.4
97.02979	0.6
97.06573	0.6
99.00876	1.2
101.02454	11.8
111.08185	0.9
113.02451	5.2
117.35493	0.6
119.03529	1.5
119.48258	0.6
123.83720	0.5
133.02951	0.9
136.69284	0.6
139.07831	0.5
141.09193	0.8
143.10736	0.7
169.08719	5.6
187.09772	6.2
266.84732	0.5
297.10049	0.6
331.14035	10.0
332.14346	1.1
349.15054	100.0
350.15430	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
50.65581	0.7
55.01881	6.3
57.03464	4.8
58.00589	1.3
59.01384	100.0
69.03440	1.0
71.01388	78.1
72.99323	2.3
73.02953	19.5
75.00866	1.2
81.03497	0.6
83.01392	11.0
84.02177	0.8
85.02957	28.4
86.00130	1.3
87.00874	3.4
89.02453	55.6
92.24583	0.7
95.01414	5.7
95.73698	0.7
97.02951	1.7
98.21831	1.7
99.00881	6.0
101.02448	62.2
102.02827	1.4
103.72472	0.8
111.00895	3.9
113.02459	33.0
119.03510	27.8
125.02499	2.1
129.01965	2.0
131.03525	3.0
134.03764	0.8
134.33173	0.8
137.68585	0.6
143.03493	5.4
149.04588	1.3
159.03050	3.2
161.04572	18.5
179.05641	5.0
187.13487	2.6
221.58748	0.7
224.55771	0.7
331.17654	8.0
332.17770	1.0
349.14780	1.0
349.18707	21.4
350.19189	1.2
366.95935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01883	1.7
56.02224	0.3
57.03452	1.3
59.01384	18.8
60.01724	0.5
61.01775	0.2
69.03437	0.5
70.65726	0.3
71.01383	10.6
72.01716	0.4
72.99328	0.6
73.02955	4.0
78.18076	0.3
83.01405	2.9
85.02961	4.5
86.00082	0.3
87.00867	1.5
87.41894	0.3
89.02457	1.6
95.01391	1.4
97.02951	0.4
97.72067	0.3
99.00900	0.9
101.02446	6.8
103.53468	0.3
111.00896	0.8
113.02456	3.2
119.03551	0.5
122.61656	0.3
123.00905	0.9
124.01596	0.4
124.94646	0.3
125.02476	0.6
129.01917	0.5
141.12862	3.7
142.13182	0.4
159.03065	0.4
161.04630	0.4
169.08463	0.3
169.12399	1.3
187.13406	36.2
188.13676	2.1
195.06691	0.8
201.15166	0.3
206.90210	0.3
220.44731	0.3
229.14554	0.9
252.26576	0.3
331.17719	2.3
349.18698	100.0
350.19037	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	349.187
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01877	1.1
57.03463	1.4
59.01384	100.0
60.01724	0.8
66.62155	0.6
71.01391	14.1
73.02962	6.0
75.71865	0.6
83.01400	2.7
85.02948	6.4
89.02464	2.0
91.05080	0.6
95.01398	1.4
99.00890	1.6
101.02454	12.5
113.02474	5.8
130.25836	0.7
143.10796	0.6
159.03033	0.7
161.04559	7.4
187.13400	4.0
199.11166	0.7
209.51968	0.6
227.07286	0.7
293.63303	0.7
307.17621	7.5
308.18195	1.1
349.13303	0.9
349.18796	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51269	0.4
55.01884	1.9
57.03450	1.3
59.01384	100.0
60.01716	1.1
69.44814	1.5
69.93639	0.3
71.01387	16.1
72.01742	0.5
72.99323	0.8
73.02951	7.0
75.00881	1.0
80.38897	0.4
83.01393	3.2
85.02955	9.9
87.00896	0.9
88.72137	0.4
89.02449	4.8
90.65020	0.3
95.01418	1.3
97.02955	0.9
99.00913	1.2
101.02447	15.7
111.00944	0.3
113.02461	7.1
113.03175	0.6
119.03507	2.0
125.02476	0.5
136.95020	0.4
143.03537	0.7
143.10838	0.7
159.03018	1.3
161.04578	8.7
179.05727	0.5
187.13551	0.5
207.71120	0.4
226.10869	0.4
231.93291	0.3
289.16602	0.9
307.17648	21.3
308.18030	2.0
349.19559	0.5
354.33966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	9.2
59.01383	32.8
59.66129	1.4
63.96078	1.4
67.01900	2.1
69.03459	100.0
69.30209	9.0
71.01382	4.1
73.02937	1.5
81.03473	3.8
83.05030	4.1
85.02955	6.4
98.22668	3.2
101.02438	2.3
111.04523	5.0
133.01436	5.0
138.32350	1.6
171.11833	2.7
173.09764	1.8
186.34511	1.5
187.11308	6.8
189.12857	21.7
205.16046	9.1
231.17474	3.0
271.17087	3.9
287.20090	11.1
305.21188	13.1
306.21536	2.3
320.93024	1.9
336.97278	1.6
349.20215	96.6
350.20554	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	349.2022
Annotation	Megathyrin B
Peak:m/z	Relative Intensity
57.03436	5.3
59.01384	81.7
59.63390	1.4
67.01897	17.0
67.02831	1.5
68.78437	1.5
70.50085	2.6
70.50420	2.1
71.01366	2.0
71.05027	12.0
73.02947	4.8
80.02697	2.2
81.03444	1.9
83.05019	4.3
85.02957	6.6
87.04507	7.2
89.03783	1.5
93.03466	5.9
95.05032	78.0
96.05370	2.1
97.06590	5.5
98.22016	1.9
99.04544	11.2
109.06534	2.1
116.35236	1.7
117.49997	1.7
118.21165	1.8
122.03736	10.0
123.04559	3.2
123.08230	1.8
125.09731	2.8
135.04581	3.2
135.08006	1.9
136.05296	5.2
137.09743	4.7
139.04016	6.2
139.11288	2.3
151.07649	29.3
152.07953	1.7
159.99619	1.5
163.07639	1.6
167.10759	1.9
176.37923	2.1
197.15482	2.8
207.14011	2.6
225.14977	3.5
243.13960	4.4
245.15485	7.1
248.14134	2.6
249.14989	13.2
250.15753	47.0
251.16156	3.6
263.16534	14.3
265.14484	2.7
273.14987	7.4
283.17072	4.0
285.18411	1.7
287.20169	14.1
291.16141	4.4
301.18094	3.7
302.15320	7.7
303.19638	4.5
313.18201	6.5
316.16608	3.7
319.19153	38.9
320.19553	4.7
321.20679	12.8
331.19150	45.7
332.19565	3.1
349.20221	100.0
350.20496	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	349.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45555	1.0
57.03444	15.3
59.01379	3.1
62.67266	1.0
67.01893	7.6
69.03434	2.5
69.07977	7.3
71.01383	3.4
71.05036	7.5
72.99316	11.2
73.02946	1.5
73.41887	1.2
74.63461	1.1
74.83751	1.0
75.00864	3.3
79.95723	1.8
81.03452	3.9
83.01360	1.6
83.05025	4.8
84.90266	1.1
85.02938	2.3
85.06628	1.5
87.48621	1.4
93.03458	3.4
95.05029	37.3
96.05339	1.7
96.96021	11.6
97.06571	1.5
99.04510	4.7
101.06086	100.0
102.06429	2.4
107.05045	4.3
109.06588	3.8
111.04568	2.8
112.05312	2.0
113.06112	9.9
121.06583	2.2
122.03737	4.4
123.03555	1.3
123.04543	2.7
133.02960	1.6
135.04529	4.7
136.05183	1.6
137.09695	1.7
139.03973	1.5
145.03014	1.1
147.08150	2.7
151.07620	6.5
161.02419	4.8
161.09650	1.5
167.10695	1.4
174.06815	1.8
177.09218	4.9
179.10803	2.8
187.13339	1.2
189.05573	1.6
189.09221	27.6
189.12929	1.5
190.09575	1.9
191.07173	2.9
192.07956	3.5
206.09346	1.6
207.10271	70.1
208.10585	6.0
233.11530	2.7
243.13797	1.4
247.13428	2.3
247.89001	1.4
250.15741	4.7
263.16440	1.6
273.14856	4.3
298.15784	10.8
302.15314	20.6
303.15543	2.5
313.18124	9.3
316.16711	4.9
331.19159	44.1
332.19455	4.9
349.16962	2.8
349.20215	35.6
350.20480	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	349.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
57.03451	4.0
59.01375	3.5
65.00026	0.9
65.03938	0.9
67.01890	1.1
67.90182	1.0
68.99825	1.7
69.03462	36.4
69.44136	3.8
71.01382	2.8
71.05025	28.7
73.02964	2.3
76.33019	1.1
81.03460	2.4
83.01393	41.4
83.05035	17.2
84.01733	1.0
85.02941	5.9
85.06605	2.0
93.03445	1.9
93.53802	0.9
95.01395	3.3
95.05041	1.3
97.02959	2.9
97.06593	2.1
98.21936	2.0
101.02447	3.1
106.30011	0.9
109.74004	1.0
110.50620	0.9
111.00922	1.3
111.04532	57.5
112.04836	2.0
112.97610	0.9
113.02459	63.1
113.06130	1.2
114.02776	2.0
123.00915	4.1
123.08220	4.9
125.02447	1.7
137.09758	3.6
139.00418	1.2
139.07549	1.0
140.01218	1.7
141.01967	1.0
151.11298	6.6
161.09816	1.4
177.09222	2.0
182.27231	1.1
189.12892	1.1
191.38776	1.0
205.12335	1.1
207.13980	2.7
209.86214	1.0
221.11893	1.3
231.13803	1.0
233.11938	1.1
235.17030	1.5
237.14986	4.5
247.13274	2.0
249.15128	2.7
291.16034	1.8
331.19073	5.1
349.16922	4.1
349.20230	100.0
350.20566	12.3
355.36029	1.4
374.77893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
51.43011	0.4
52.82889	0.4
69.12946	2.7
76.83915	0.4
81.46035	0.5
98.21899	1.0
115.67568	0.5
174.07591	0.4
220.14764	1.5
221.15462	6.8
289.21808	1.7
292.28656	0.5
313.17749	1.6
317.21228	100.0
318.21588	11.0
349.23740	2.4
350.24124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37535	1.1
52.48005	1.0
52.59338	1.0
59.01377	2.1
60.99303	3.6
67.01884	8.2
69.03468	1.8
70.96313	1.9
71.01389	3.5
73.65942	0.9
77.03969	3.1
81.03505	2.1
83.05042	2.3
85.02940	5.7
87.00889	15.0
91.05530	2.2
92.73848	1.0
92.74403	1.0
93.03461	49.5
94.03780	1.2
94.99828	1.0
95.05039	4.1
99.04549	1.3
102.49734	1.0
103.75043	1.4
105.03470	14.8
107.05051	4.9
109.02952	23.9
111.04544	11.6
117.03487	2.2
121.03010	1.0
122.03758	1.6
123.04543	5.8
125.09869	1.0
127.04053	2.3
133.02966	100.0
134.03362	4.3
135.04539	28.5
137.02435	2.3
149.02451	2.7
150.03214	9.7
151.04015	3.1
155.03513	3.2
161.02454	3.6
173.04562	40.2
177.01933	36.5
178.02316	2.0
179.03508	9.9
191.05629	74.7
192.05988	3.4
195.02916	1.8
215.05615	49.4
216.06001	2.0
307.08243	4.2
351.07227	22.8
352.07556	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	351.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41592	1.0
58.17843	1.0
59.01374	4.2
61.98835	1.6
64.45895	1.0
69.79081	0.9
71.01375	3.1
71.37533	1.0
72.82825	1.1
72.99322	1.8
85.02959	5.3
87.00873	1.1
87.43333	1.0
93.03471	4.9
95.05049	1.3
102.74757	1.0
105.03456	2.0
109.02935	3.4
111.00850	1.3
121.02940	2.4
123.04532	52.2
124.04867	2.4
129.01939	1.9
133.02971	18.8
134.03360	1.1
135.04582	2.6
137.02472	1.2
138.05620	3.8
140.98914	1.0
148.56845	1.0
149.02469	1.6
153.05588	100.0
154.05949	4.6
159.93111	1.3
161.02437	4.0
170.97046	1.7
173.04591	5.5
177.01979	8.1
191.05640	6.4
197.04573	2.7
210.53572	1.1
215.05643	4.6
217.05235	1.5
245.45216	1.2
271.06699	1.1
315.10886	21.9
316.11139	2.7
330.19891	1.2
351.07242	3.6
352.14786	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	351.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17196	1.0
61.98823	1.2
64.43097	0.9
69.52832	2.3
69.53220	2.8
71.01380	11.0
74.96194	5.6
85.25181	0.9
93.79036	1.1
98.21954	1.2
128.97253	3.2
133.02943	1.9
150.54184	0.9
150.94777	1.1
164.08450	1.2
165.47987	1.1
177.01924	1.4
177.09244	3.9
183.82410	1.1
192.11548	7.4
192.95908	5.4
193.12163	1.0
205.12315	3.2
211.57454	1.1
218.09425	1.3
220.12535	2.0
220.14703	49.1
221.15472	100.0
222.15883	7.8
231.17555	1.7
236.10567	73.1
237.11032	5.1
268.06998	1.1
275.16589	3.8
278.10574	3.7
279.11264	3.6
286.43094	1.0
293.17624	16.5
294.05414	2.2
294.18011	2.0
333.12326	5.7
334.13095	1.3
344.17294	1.1
351.13480	54.4
352.13849	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	351.1381
Annotation	Mercaptoacetyl-Phe-Leu
Peak:m/z	Relative Intensity
58.99596	2.9
59.01374	3.6
61.18904	1.5
71.01372	2.3
72.04562	1.8
74.02481	31.3
86.99101	3.4
100.00420	8.7
108.04574	9.4
116.01771	10.7
121.05294	2.2
122.06126	2.6
136.07695	36.2
139.43616	2.0
150.05650	2.1
153.89360	1.6
157.18394	1.5
160.00754	9.9
160.07706	3.5
161.08531	1.7
162.09236	10.4
172.07668	2.8
174.01703	4.2
174.09258	2.2
190.12393	25.9
191.12723	3.8
200.10881	2.3
216.13942	55.4
217.14304	4.3
218.15619	1.9
219.11317	1.9
224.11186	2.3
235.13309	2.1
242.11877	2.3
244.13400	4.8
245.16551	5.2
254.80028	2.3
261.16116	6.0
273.16089	28.0
274.16281	2.8
278.12378	1.9
317.15079	100.0
318.15561	10.3
347.90076	1.9
351.13876	36.8
351.21643	6.4
352.13510	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	351.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	68.5
70.70096	11.0
71.88657	11.9
75.00881	28.4
95.05061	13.8
123.67780	10.5
129.53835	9.8
143.41728	9.5
160.15594	10.2
186.95706	12.2
192.95897	28.1
228.79060	10.7
264.08279	10.9
291.19632	15.1
293.21265	63.4
314.07764	15.4
351.17288	100.0
352.13077	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	351.1711
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01401	68.5
70.70096	11.0
71.88657	11.9
75.00881	28.4
95.05061	13.8
123.67780	10.5
129.53835	9.8
143.41728	9.5
160.15594	10.2
186.95706	12.2
192.95897	28.1
228.79060	10.7
264.08279	10.9
291.19632	15.1
293.21265	63.4
314.07764	15.4
351.17288	100.0
352.13077	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	351.1816
Annotation	Desacetyltetraneurin D 15-O-isobutyrate
Peak:m/z	Relative Intensity
53.00294	0.4
59.01370	0.6
68.45128	0.3
71.01387	100.0
71.05017	0.5
71.42262	0.3
72.01736	1.6
79.85280	0.3
80.59193	0.3
85.02992	0.4
87.29804	0.3
95.01376	0.5
95.05032	1.9
97.06609	1.2
110.49744	0.3
113.02469	0.4
133.02975	0.4
151.07645	2.9
151.88747	0.3
158.45374	0.4
161.02455	1.1
165.09221	0.6
193.08798	0.5
207.13968	0.6
211.06131	0.3
212.36954	0.3
215.10739	1.0
216.11542	0.7
219.10295	2.4
220.11174	1.5
230.29387	0.3
231.13927	5.3
233.11871	0.4
234.12621	3.1
235.13147	0.4
249.14963	9.5
250.15331	0.7
260.69577	0.3
261.14954	0.8
272.04602	0.3
333.17029	2.2
351.18134	14.9
352.18515	1.4
370.60367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28599	1.8
56.42962	1.6
57.03460	3.0
57.62074	1.8
57.89225	1.7
59.01369	2.9
68.00387	1.8
71.01366	3.0
71.05037	2.8
71.38726	1.8
72.03466	1.7
83.05032	2.0
85.02957	72.5
87.04527	3.8
87.49765	1.7
92.70000	1.8
94.24532	1.7
95.01376	3.0
95.05017	2.0
96.95972	2.3
97.06600	16.7
99.04546	9.0
105.74104	1.6
109.06570	2.2
111.08191	2.7
113.02454	7.9
121.06571	3.0
123.04497	2.6
123.08157	6.2
135.04468	3.3
135.08109	1.8
137.05974	2.1
137.09746	4.7
138.03297	1.8
149.06055	4.7
150.06856	5.5
151.07632	7.3
152.19705	1.7
155.07181	4.0
161.05989	2.2
162.06844	2.5
163.07745	2.1
165.09215	38.8
166.09586	3.6
178.06378	2.7
191.10765	13.6
192.11336	1.9
193.04980	2.5
193.08696	13.3
204.07962	3.5
205.12444	2.2
217.01295	2.0
217.08804	3.0
219.10269	8.1
227.10918	1.9
229.12364	4.9
231.13838	2.3
232.11044	8.8
233.11819	6.5
235.13403	40.8
236.13774	3.7
241.12498	1.9
245.11702	1.8
247.13484	2.9
248.14178	79.0
249.14528	7.5
259.13406	16.7
260.14188	41.0
261.14490	5.2
271.17105	5.5
274.15674	10.7
280.63120	1.8
282.88864	1.9
289.18106	55.7
290.18317	6.6
293.23328	1.7
303.12396	6.9
304.13278	2.9
315.16061	6.4
318.14679	9.4
333.17078	100.0
334.17484	11.0
351.17825	10.4
351.21588	6.8
352.18054	2.1
374.38120	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	351.2178
Annotation	Capillolide
Peak:m/z	Relative Intensity
54.58764	2.9
55.71212	2.5
57.03435	9.2
59.01384	8.0
67.01903	2.9
69.24878	16.8
71.01388	6.4
71.05029	2.9
72.02174	3.3
81.07119	5.6
85.02961	7.1
87.00880	13.4
87.04524	3.4
95.01370	17.2
96.96014	3.4
98.22739	6.1
107.39967	2.7
113.02473	37.6
113.06097	4.2
142.75812	2.9
161.09630	3.2
163.11365	7.1
169.10291	5.1
171.11803	14.5
173.09776	4.6
175.11275	7.3
177.12881	10.5
189.12927	6.7
191.14444	8.6
193.12376	3.0
207.13831	3.5
235.13467	3.5
241.19638	7.8
248.14209	15.2
253.19684	10.1
259.20642	20.9
271.20651	6.5
289.21680	7.4
304.16882	4.5
307.22879	12.9
333.20502	4.6
351.21783	100.0
352.22253	9.8
372.76440	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	351.2545
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
56.27581	0.7
59.01355	0.8
69.89876	0.6
93.21365	0.6
93.61503	0.6
117.48882	0.6
122.51629	0.7
123.04474	1.5
137.06021	1.7
165.09157	2.4
185.11812	0.8
234.77570	0.6
245.19177	1.9
289.25388	2.3
290.25259	0.6
301.04807	0.7
307.26511	0.8
333.24377	100.0
334.24734	13.5
351.25424	22.1
352.13031	1.5
352.25763	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	352.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	93.3
60.01706	1.9
66.49976	1.7
71.01383	26.1
73.02951	52.3
75.00832	2.2
83.01391	11.4
85.02557	1.4
85.02955	19.6
87.00886	8.1
88.74898	1.5
89.02430	6.2
91.94672	1.8
92.05041	5.3
93.03433	4.2
94.03823	1.4
99.00840	3.2
101.02449	25.3
109.02942	1.8
111.04474	1.4
113.02452	8.8
113.03130	1.8
116.05024	3.4
118.02954	4.8
119.03419	1.6
120.04514	3.8
121.02950	2.4
124.21528	1.5
127.07648	12.2
128.05064	1.6
128.08002	9.9
131.03651	7.0
132.04568	14.6
133.02924	6.7
134.03647	3.0
134.06140	3.6
135.04483	4.4
137.02362	1.5
144.04582	15.6
146.01440	1.9
146.02507	36.6
146.06085	2.3
147.03273	100.0
148.04088	15.0
150.05566	2.9
158.06044	5.2
159.03215	2.0
160.04054	73.8
161.02415	4.0
161.04419	6.3
163.04005	4.7
168.04529	2.2
170.06175	2.0
171.06683	7.2
172.04059	15.0
172.07013	8.9
173.04497	3.7
174.05693	10.5
178.02408	2.2
179.02155	2.9
179.03535	3.2
185.04811	2.2
186.05627	9.1
191.02045	7.3
191.05624	91.4
202.05093	11.5
204.06502	2.5
214.05074	14.8
215.05530	1.7
279.01535	1.5
292.08121	7.1
310.09262	5.3
352.10226	56.4
353.10770	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	352.1766
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02983	2.8
59.01385	0.7
68.97198	0.2
70.17833	0.2
80.05069	0.2
81.03458	1.5
81.39651	0.2
82.06615	0.5
83.05042	0.2
85.02967	0.5
95.05038	1.8
97.02966	0.2
97.06585	0.6
109.06614	0.8
110.09792	0.9
110.38744	0.2
123.04529	0.8
128.10832	9.5
129.11186	0.3
130.08751	100.0
131.08241	0.2
131.09113	3.5
133.06577	0.2
135.08170	1.7
151.11313	0.3
152.07240	0.2
154.08754	2.5
156.06665	0.6
159.08186	0.3
172.09821	3.6
177.09212	1.4
179.07135	0.8
181.08685	1.1
191.05583	0.8
221.08217	0.8
236.12930	0.3
246.18715	1.6
254.14070	0.5
290.17618	2.8
291.17953	0.4
305.13647	0.2
308.18692	13.9
309.19150	1.4
334.16595	5.3
335.17032	0.4
352.17676	33.2
353.18042	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	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
67.01873	0.5
71.01390	0.8
73.02981	0.4
77.82218	0.3
83.05032	0.5
85.02958	8.9
87.00872	1.6
93.03461	2.4
109.02949	0.7
111.04514	0.8
127.04036	2.0
133.02954	0.6
135.04529	1.7
143.78566	0.3
161.02492	1.8
171.02989	0.9
173.04533	1.4
179.03522	1.3
191.05623	100.0
192.05960	3.6
348.28339	0.3
353.08670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
63.93855	0.3
70.46619	0.6
71.01377	1.0
77.84928	0.3
83.31315	0.4
85.02958	7.9
87.00874	1.4
93.03469	3.5
96.34032	0.3
102.07371	0.3
109.02944	0.9
111.04523	0.8
118.88359	0.3
122.22714	0.3
127.04040	2.1
133.02969	0.6
135.03583	0.4
135.04489	1.8
140.24075	0.3
161.02403	2.2
171.03050	0.4
173.04543	1.1
179.03506	1.5
181.21841	0.3
191.05624	100.0
192.06001	3.9
200.07718	0.3
353.08725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01383	1.3
67.01904	0.3
69.03454	1.0
71.01389	0.7
73.02929	0.3
76.45341	0.2
77.49906	0.2
81.03471	0.3
85.02956	7.8
85.13825	0.3
85.15780	0.2
87.00888	1.7
93.03474	2.8
97.02944	0.3
98.74816	0.2
99.00887	0.5
99.04506	0.4
109.02976	0.8
111.04518	1.1
127.04021	1.6
133.02969	1.0
135.04529	0.5
141.10034	0.2
141.78352	0.3
142.35452	0.3
157.05937	0.4
161.02483	1.9
171.03047	0.3
173.04539	1.4
179.03503	0.7
184.70711	0.3
185.00848	0.3
191.05632	100.0
192.05981	3.9
231.92699	0.3
345.42511	0.3
353.08737	1.1
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	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03437	1.1
58.56568	0.7
59.01377	4.9
60.23391	0.6
60.25514	0.6
67.01899	5.0
69.03458	1.2
69.44672	3.2
71.01388	4.3
71.12962	0.7
81.03466	1.6
83.05009	1.2
85.02963	11.0
85.64389	0.8
87.00883	2.6
93.03467	32.6
98.22714	1.3
101.02458	0.7
107.05035	1.5
108.02210	0.7
109.02942	2.0
111.00904	1.4
111.04535	6.0
127.04022	2.3
133.02959	1.8
134.03766	4.0
135.04539	75.3
136.04903	3.4
137.02475	6.4
155.03537	5.2
161.02475	5.1
169.33765	0.7
173.04565	100.0
174.04944	3.1
179.03514	66.9
180.03874	2.7
191.05626	49.6
192.05975	2.8
201.74001	0.7
205.29146	0.7
353.08859	7.4
354.09140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.8
61.20285	0.9
71.01388	24.0
71.25824	0.9
75.82956	0.9
80.86375	1.0
81.03467	2.1
81.36428	1.0
81.95584	1.0
95.10128	0.8
115.00378	9.7
121.03000	1.0
123.08160	3.4
125.09692	3.6
133.01437	1.2
137.09731	1.7
165.12854	6.3
169.08719	1.7
191.05617	1.2
193.15944	1.5
237.14969	100.0
238.15277	6.9
288.73007	1.0
312.35330	1.0
353.23459	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	353.1867
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
51.25909	2.5
59.01382	2.5
71.37695	2.2
75.00888	10.7
76.46803	2.4
78.98160	2.3
79.65365	2.5
80.83192	2.4
87.33457	2.7
103.52282	2.5
122.90381	2.8
135.67210	2.3
139.34665	2.3
171.10280	19.4
182.88455	2.6
191.05611	3.0
277.21762	22.6
295.22711	33.2
353.18634	100.0
354.18878	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	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95740	12.1
80.96511	0.9
91.76911	1.1
95.95217	2.1
96.96015	82.0
120.17222	0.9
122.97585	4.3
191.05615	1.5
311.25781	1.1
338.05646	1.1
353.20026	100.0
354.20364	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	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.62023	0.3
54.27003	0.3
58.55767	0.3
59.54710	0.3
65.79607	0.2
69.10423	0.4
69.10838	1.3
96.96030	2.8
97.94518	0.2
98.21890	0.5
107.04986	0.3
112.25836	0.3
162.06796	0.3
163.11299	95.2
164.11633	5.2
177.09222	75.8
178.09570	5.4
189.23692	0.3
190.09938	0.6
353.21228	100.0
354.21594	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	353.2336
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
57.03436	0.8
59.01359	0.5
69.28548	2.0
71.01363	1.5
77.87556	0.4
81.07084	1.7
83.05040	0.4
95.05008	0.5
97.06566	0.6
98.21874	0.8
99.08099	0.4
140.10732	0.4
177.12791	0.8
179.14404	1.1
191.05682	0.7
191.14465	0.8
215.16484	0.5
221.11838	1.2
223.13405	76.2
224.13763	5.4
235.07639	0.4
235.13382	8.7
237.15013	0.7
251.07228	1.4
253.14450	7.8
254.14835	0.5
263.07227	0.7
270.49261	0.4
279.06543	1.7
293.21176	1.1
294.09158	0.4
295.06161	0.7
302.91376	0.4
305.21381	2.0
310.08392	0.4
322.08566	0.8
323.05667	1.6
323.22290	2.4
335.22183	1.6
338.08038	2.4
339.08453	0.5
353.10474	1.8
353.23355	100.0
354.10953	0.6
354.23691	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	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03450	16.3
59.01376	10.7
69.08313	4.6
69.22649	0.8
71.01376	5.4
72.99306	2.0
75.00883	1.3
78.56116	0.8
80.68695	0.9
83.01383	2.6
84.02156	1.3
85.02956	100.0
86.03294	1.9
87.00879	1.2
89.02446	1.7
99.00871	1.1
103.00382	1.6
111.00876	3.1
115.00355	1.0
119.05000	3.2
129.01964	8.6
133.01457	1.8
140.05402	0.8
147.02995	7.3
163.04024	2.4
173.00922	1.8
186.46609	0.8
191.01988	21.2
209.03026	33.6
210.03352	1.1
318.33377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.75167	0.7
57.03449	12.8
59.01382	8.7
61.61914	0.7
67.45014	0.7
69.09542	4.9
71.01376	4.4
72.99302	1.2
75.00869	2.1
83.01399	1.0
84.02190	1.1
85.02956	100.0
86.03286	2.4
86.42202	0.7
87.00851	0.8
89.02441	1.9
98.21759	1.6
103.00362	1.5
111.00880	3.4
119.05035	3.3
129.01941	7.1
133.01437	1.7
147.03011	10.3
163.04068	1.8
173.00983	1.2
191.01985	24.4
192.02040	0.8
209.03033	38.7
210.03551	0.7
229.12593	0.8
339.61221	0.9
366.88278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0827
Annotation	(S)-Sulindac
Peak:m/z	Relative Intensity
51.91883	1.4
51.99843	1.3
93.13609	1.3
101.47204	1.1
107.95631	1.4
118.04277	3.1
119.05049	21.4
121.02966	91.2
122.03316	4.8
145.09834	6.4
162.03223	1.8
163.04034	9.8
173.09377	7.0
181.06561	3.2
225.05646	1.7
297.20038	5.1
297.70251	2.0
311.09274	100.0
311.19528	3.0
311.69974	1.9
312.09570	10.7
355.08258	42.8
356.08578	4.8
372.77917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61276	0.5
56.62386	0.6
59.01390	3.1
66.80145	0.6
69.57932	1.8
71.01406	2.8
73.02967	2.3
75.00887	3.2
78.38592	0.5
81.03470	2.4
84.02158	0.7
85.02954	3.7
87.00891	1.4
89.03989	2.1
99.00893	2.1
99.04533	1.2
100.97837	0.7
106.04244	0.6
113.02402	0.6
114.05597	3.6
117.03479	9.9
129.02011	0.7
132.02168	0.7
133.03014	1.3
134.03755	91.2
135.04054	3.3
137.23541	0.7
143.03568	0.8
149.06097	7.9
160.01700	3.1
161.02521	3.0
161.04582	3.9
166.38466	0.6
175.04013	4.4
176.04489	0.9
178.02687	1.9
179.05673	5.8
182.08189	0.7
191.02164	1.0
191.07098	0.8
191.57736	0.7
193.05070	100.0
194.05403	6.3
209.03049	1.4
210.59479	0.7
235.06123	1.3
241.12036	0.8
265.07123	1.2
295.08279	1.9
355.10495	3.2
356.18240	1.2
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	Unknow
Peak:m/z	Relative Intensity
52.10666	1.1
55.01868	0.9
56.31319	1.1
57.03448	1.6
59.01381	7.8
71.01402	4.6
71.05032	2.3
72.99323	1.7
73.02955	3.8
73.80475	1.0
75.00877	36.1
81.03465	3.5
85.02955	14.2
87.00880	5.8
99.00900	8.8
99.04575	1.0
117.03490	3.2
120.04510	0.9
129.01947	1.7
134.03761	47.7
135.04318	1.5
137.02440	1.6
143.03516	7.5
147.03023	1.6
149.06097	3.0
150.03223	1.6
151.03983	1.4
160.01723	1.8
161.02464	2.6
161.04590	4.9
175.04063	1.4
179.05626	100.0
180.05995	4.1
187.71106	1.2
191.02013	2.4
192.00642	1.0
193.03304	1.8
193.05072	32.3
193.06769	2.2
194.05508	2.1
195.19173	1.0
209.03047	2.6
248.38969	1.1
256.93530	1.1
355.10388	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28816	0.5
50.76774	0.5
58.16568	0.6
59.01381	1.3
69.35934	0.5
69.42248	3.0
70.73406	0.5
71.01389	2.3
71.04995	0.5
73.02953	2.3
75.00878	2.9
81.03433	1.3
81.91365	0.6
85.02950	3.2
87.00876	0.8
89.03991	2.6
99.00862	3.0
99.04527	1.7
114.05652	0.6
114.99887	0.6
117.03469	8.1
128.23164	0.7
134.03754	97.8
135.04074	4.2
137.02449	0.6
143.03545	1.7
149.06082	7.0
151.37984	0.7
161.04559	3.6
168.51065	0.7
175.04041	0.8
178.02763	1.4
179.05606	6.1
193.05072	100.0
194.05394	4.7
209.02931	0.8
347.03110	0.7
355.10260	3.0
371.82800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26195	0.3
55.69870	0.2
57.03443	0.5
59.01368	0.5
62.65543	0.2
63.01084	0.2
69.50661	0.6
69.51038	0.5
71.01377	0.5
72.03451	0.2
73.43324	0.2
85.02952	2.3
85.40202	0.3
93.03459	0.3
96.96027	0.9
98.22617	0.3
117.39362	0.3
121.02984	0.5
129.01923	0.5
133.01427	0.3
133.02965	3.9
134.03757	11.6
135.04088	0.4
137.02469	2.5
139.04015	0.6
147.03032	0.3
150.03178	0.3
160.01663	0.3
161.02458	10.8
162.02818	0.6
165.93301	0.3
178.02730	1.9
181.01434	0.4
191.01933	0.4
193.05072	100.0
194.05408	6.2
209.03046	0.6
224.43832	0.3
355.10483	0.6
355.14291	0.6
374.34103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71903	0.6
59.01381	11.6
69.45477	2.4
69.66666	0.5
71.01378	4.8
85.02946	1.8
89.02427	3.0
93.07111	0.5
93.74491	0.6
101.02435	1.7
107.59961	0.5
113.02440	1.4
113.41369	0.6
119.03466	0.8
123.51991	0.6
132.02174	15.0
134.03754	18.8
138.40726	0.6
147.04558	0.8
149.06100	4.5
160.01665	71.2
161.02005	3.0
174.03139	0.8
175.04010	100.0
176.04381	5.3
178.02719	4.1
191.07202	2.2
193.05058	26.8
194.05334	1.7
202.02792	0.9
217.05025	5.9
223.13408	0.6
235.06087	3.0
246.84598	0.7
265.07111	0.7
295.08115	1.4
295.68808	0.6
354.52481	0.6
355.10312	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.9
66.56606	0.5
69.14330	1.0
69.14735	1.7
71.01398	4.4
81.20049	0.4
83.37872	0.5
85.02957	1.3
87.00958	0.4
89.02450	3.7
91.65370	0.5
98.22623	1.0
98.39823	0.5
101.02454	1.4
113.02480	1.9
119.03533	0.8
132.02193	16.1
133.02602	0.7
134.03740	9.0
147.04570	0.8
149.06070	2.5
149.49800	0.6
160.01677	70.0
161.02017	4.9
174.03316	0.7
175.04019	100.0
176.04390	6.2
191.07147	2.2
193.05089	14.2
194.05426	0.8
202.02829	0.9
217.05083	4.1
235.06190	2.9
265.07147	0.7
295.08282	2.0
355.10461	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	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91888	0.4
59.01382	11.6
60.72760	0.4
61.89039	0.4
69.21513	1.0
69.21926	1.1
71.01381	5.6
73.02962	0.4
78.96391	0.4
85.02951	2.8
89.02436	4.0
89.02881	0.4
95.01423	0.4
98.04720	0.4
98.21906	0.8
101.02465	2.0
113.02445	1.9
115.00407	0.9
117.03474	0.5
118.13107	0.4
119.03532	0.9
132.02173	12.7
133.01421	1.1
133.02464	0.6
134.03751	10.0
147.04510	0.6
149.06143	2.0
160.01669	62.9
161.01981	3.4
174.03246	0.4
175.04015	100.0
176.04367	6.2
178.02766	0.5
180.01898	0.4
191.01938	0.4
191.07159	2.3
193.05077	16.8
194.05475	1.1
195.10307	0.8
202.02715	0.9
207.06639	0.5
217.05087	5.4
218.05498	0.4
221.91187	0.4
235.06151	3.0
239.09373	2.3
265.07251	0.6
295.08243	2.1
302.65915	0.4
323.64822	0.4
348.10010	0.4
355.10349	4.6
356.10434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03473	1.1
59.01381	5.8
66.43423	0.7
71.01395	6.5
71.05016	2.7
72.99312	6.5
73.02948	6.4
75.00877	30.1
78.98334	0.6
81.03460	5.7
85.02956	4.8
87.00884	2.7
87.04538	1.6
89.02471	1.4
89.03983	2.8
92.90215	0.6
99.00884	9.1
99.04533	9.2
106.06628	2.7
117.03478	8.2
123.00839	0.9
130.08745	0.8
133.02977	1.1
134.03754	94.3
135.04099	3.4
137.02461	0.9
137.53729	0.6
143.03519	9.4
149.06105	6.7
150.05562	0.8
160.01627	1.0
161.02481	1.5
161.04579	14.1
168.64099	0.6
175.04007	1.3
178.02702	1.1
179.05627	75.3
179.93211	0.6
180.05969	3.1
193.05072	100.0
194.05470	5.6
209.03038	1.1
211.54080	0.6
224.41090	0.7
355.10330	8.3
355.16083	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
70.05832	1.0
70.06161	1.3
71.01378	4.0
72.99297	1.1
73.02969	1.3
75.00888	4.3
81.03454	2.0
85.02960	6.6
87.00867	2.1
89.02444	1.4
89.03978	2.0
99.04528	1.2
101.02480	0.9
101.45953	0.7
101.67400	0.7
115.00398	0.9
116.39898	0.9
117.03449	5.2
132.02185	4.9
133.01399	0.9
133.02946	3.5
134.03760	85.4
135.04080	3.9
137.02449	2.8
139.04066	1.1
143.03482	1.2
149.06088	10.8
160.01671	20.2
161.02097	1.4
161.04588	4.5
175.04021	28.9
176.04472	2.2
177.01965	1.2
178.02737	15.3
179.03232	2.0
179.05623	8.2
184.87465	0.7
191.02002	1.5
193.05077	100.0
194.05441	5.2
209.03059	2.0
217.05060	2.9
235.06131	1.5
281.68393	0.8
295.08218	1.0
355.10532	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	355.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23997	0.4
57.03458	3.1
59.01396	2.3
59.96704	1.2
61.02935	0.5
65.00305	1.8
69.03458	0.8
69.27512	2.2
71.01363	0.5
72.98907	0.6
72.99313	12.7
74.99078	24.3
75.00848	1.4
76.96993	1.7
81.03445	0.4
82.00608	11.7
82.01715	0.4
83.01377	1.2
91.01661	0.9
91.02214	17.3
93.00142	36.8
94.00073	0.7
94.98058	1.2
101.02450	2.9
109.02924	0.6
115.02206	1.1
117.00104	0.5
117.03790	13.1
119.01709	10.7
131.01698	0.5
131.98904	0.5
132.98718	0.5
132.99646	7.4
135.04720	0.6
145.03226	0.5
149.00974	2.2
149.09714	0.4
150.98997	0.4
159.01215	6.2
160.99097	0.4
161.06413	21.3
162.06668	0.9
163.04294	1.4
163.06186	0.9
169.08733	1.0
187.09782	0.7
189.15758	0.4
191.05708	0.4
205.01797	1.9
205.08975	0.7
235.08263	0.6
245.08466	0.4
247.06450	10.2
248.06621	0.5
259.31693	0.4
263.09570	100.0
264.09787	7.3
321.08420	0.5
355.12518	32.0
356.12704	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	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
57.49229	0.5
59.01373	2.0
61.15266	0.6
71.01391	15.5
71.04982	0.7
72.41376	0.8
85.02969	1.2
85.06615	0.8
93.73105	0.5
97.06607	0.6
107.05028	0.7
115.00370	7.6
126.77930	0.6
133.01393	1.0
148.90242	0.6
151.07617	0.8
171.10272	2.7
177.12967	1.5
180.23560	0.7
195.13921	100.0
196.14256	6.4
204.20746	0.6
239.12909	21.3
240.13266	2.2
327.21817	1.5
355.24878	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	355.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71007	0.5
57.52543	0.5
59.01365	2.1
64.50393	0.6
69.13136	3.4
70.02509	0.5
71.01385	15.6
71.48812	0.5
89.29002	0.5
97.11401	0.6
107.50040	0.5
115.00378	7.9
118.32415	0.5
133.01430	1.1
138.21591	0.5
171.10281	2.0
177.12895	2.0
183.10254	0.8
195.13911	100.0
196.14264	7.6
201.11356	0.7
239.12901	24.1
240.13171	1.9
243.88121	0.5
327.21582	0.8
330.60767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96727	35.9
59.01381	78.1
82.19662	40.7
85.02971	52.8
95.05051	39.7
98.21774	52.2
102.83992	35.9
130.08746	100.0
132.57443	34.5
137.98395	38.8
152.99623	80.6
204.53157	34.9
218.86180	40.1
239.12839	50.7
279.65723	42.5
303.78638	41.2
356.21982	38.9
360.70081	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	15.9
57.03448	18.6
59.01398	21.3
85.04472	18.0
98.21877	48.2
122.11511	14.2
130.08720	42.6
144.55081	16.3
149.09763	100.0
156.74890	14.6
193.08688	89.0
202.78584	16.4
207.78215	14.5
317.33282	15.0
337.68967	15.4
355.14117	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	355.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	15.9
57.03448	18.6
59.01398	21.3
85.04472	18.0
98.21877	48.2
122.11511	14.2
130.08720	42.6
144.55081	16.3
149.09763	100.0
156.74890	14.6
193.08688	89.0
202.78584	16.4
207.78215	14.5
317.33282	15.0
337.68967	15.4
355.14117	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	355.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88346	1.2
60.33385	1.2
64.24677	1.5
69.55150	3.3
69.55541	2.7
84.93862	6.3
99.92590	40.7
100.92732	2.2
100.93365	14.2
115.92088	17.6
116.92868	100.0
117.92927	4.0
122.03687	1.3
166.93176	1.4
172.47250	1.4
220.65514	1.3
230.92076	1.5
343.15765	2.6
355.15829	82.3
356.16000	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
62.49817	0.7
64.50294	0.7
69.53522	2.4
73.16682	0.7
79.59332	0.6
107.05031	1.5
109.02990	0.8
122.03748	7.1
135.04535	23.4
136.04881	1.1
140.66057	0.7
141.36977	0.6
147.08145	3.1
149.06078	1.6
149.09729	6.5
156.99287	0.7
161.09758	8.1
163.07701	3.3
163.11299	44.9
164.08441	12.9
164.11594	2.0
165.09180	2.8
177.09225	59.8
178.09985	18.6
179.10786	100.0
180.11163	6.3
183.21919	0.7
191.10783	10.2
193.08705	2.2
196.76834	0.7
225.05453	0.7
265.12418	1.2
266.79245	0.7
279.13916	1.1
280.14743	2.7
298.15775	45.6
299.16098	4.1
307.16928	1.6
309.22366	1.0
321.18835	0.9
337.21765	38.5
338.22134	4.9
340.20447	68.9
341.20782	8.4
355.22815	77.3
356.23148	10.8
362.34866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92345	0.9
55.01891	2.2
57.03457	13.3
58.03790	2.5
59.01390	7.9
60.01733	1.3
69.85052	2.9
71.01392	5.4
72.01751	1.3
72.99303	2.3
74.00822	0.9
75.00861	1.9
80.72083	1.0
83.01388	1.5
84.02189	2.1
85.02959	100.0
86.03293	35.8
87.00875	1.4
87.03381	1.4
94.26753	0.9
95.00030	0.8
103.00378	1.2
111.00895	3.5
112.01265	1.3
115.00391	1.4
119.05034	2.9
120.05418	1.3
123.04535	4.2
129.01956	5.9
130.02277	3.0
133.01332	2.0
147.03011	10.4
148.03343	4.7
152.02773	0.9
153.05594	4.1
163.03983	2.0
163.83762	1.0
164.04356	1.2
167.89436	0.8
173.00945	1.4
191.01990	17.0
192.02319	14.0
209.03029	28.9
210.03389	21.9
211.03474	2.2
263.45258	0.9
269.67130	1.2
291.89990	1.1
304.84003	0.9
336.28699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12374	14.0
58.77981	12.9
59.92525	14.0
61.98843	100.0
65.02095	13.4
71.39458	17.0
83.12895	12.6
83.25430	14.0
84.55309	12.1
121.02970	30.7
121.11491	13.5
192.95775	15.8
296.77460	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	356.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97748	2.4
68.14959	2.9
71.45251	2.4
81.40259	2.3
110.06836	2.4
114.83898	2.2
117.06953	2.2
121.10210	5.3
132.44167	2.4
199.73479	3.2
245.19125	6.0
313.17899	100.0
314.18219	11.5
355.33694	3.2
356.17514	4.5
366.21228	2.5
366.34610	2.6
373.73264	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	356.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32185	34.7
58.81343	31.5
69.83160	100.0
87.00951	31.8
106.84525	34.5
120.02915	31.0
126.57887	34.5
167.31224	30.7
177.90089	30.5
213.25134	34.7
296.07034	35.8
353.27551	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	357.0619
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.80199	0.2
59.01377	0.3
71.08385	0.2
72.11705	0.2
73.51086	0.2
77.04007	0.3
103.12606	0.2
121.02966	100.0
122.03297	4.1
135.04662	0.2
137.94771	0.2
143.76836	0.2
165.01961	1.1
170.59174	0.2
180.05775	1.1
181.06610	6.5
181.41676	0.2
182.07007	0.4
182.22571	0.2
182.24315	0.2
199.07574	0.4
225.05598	5.8
226.05965	0.3
268.92725	0.2
269.08063	0.4
271.07230	0.4
313.07181	7.5
314.07504	0.7
357.06174	29.8
357.26404	0.4
358.06503	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.74583	0.5
52.27198	0.4
59.01379	6.0
59.38476	0.4
59.73428	0.4
62.21568	0.4
69.26694	1.0
69.27104	1.4
71.01384	3.6
71.54445	0.5
72.99272	0.5
73.02943	3.1
83.01391	0.9
85.02963	0.6
87.00874	2.4
89.02464	1.9
101.02470	2.4
107.05031	9.8
113.02438	1.2
114.52807	0.5
119.03529	0.7
121.06603	5.0
131.05028	0.8
133.06606	100.0
134.06960	5.0
135.04530	3.0
145.01468	0.5
149.06093	17.6
150.06387	1.0
151.07661	23.1
152.08043	0.9
161.04544	0.5
177.05582	32.8
178.05945	2.2
195.06641	20.7
196.06961	0.6
211.06342	0.6
241.10648	0.5
276.57822	0.5
287.01532	0.5
357.11917	9.4
358.12433	0.7
373.79843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33120	0.6
54.31868	0.6
59.01387	4.5
60.92030	0.6
71.01376	3.1
73.02954	1.0
76.70744	0.6
81.02854	0.6
84.16786	0.7
87.00887	8.3
89.02448	1.2
89.45334	0.6
93.78274	0.6
98.21877	1.0
101.02467	1.4
107.05038	45.9
108.05363	1.2
112.15245	0.7
113.02431	0.8
133.06606	73.8
134.06955	3.8
135.04532	11.3
138.01634	0.7
149.06093	72.4
150.06493	3.1
151.07658	100.0
152.08022	4.7
153.05623	3.3
160.03281	0.6
177.05568	23.1
178.05919	1.2
179.03491	0.8
195.06635	80.7
196.06955	4.1
313.62442	0.6
357.11908	52.2
358.12115	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	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32449	0.6
59.01371	2.4
69.26978	4.0
71.01373	1.5
73.02932	2.2
85.02938	1.0
85.24450	0.7
87.00878	10.9
93.58343	0.6
101.02444	1.8
107.05035	36.9
108.05351	1.7
117.39059	0.7
133.06609	80.4
134.06932	3.5
135.04538	9.0
149.06088	58.6
150.06441	2.0
151.07664	79.5
152.07953	3.3
153.05576	1.3
157.74840	0.7
177.05588	24.8
195.06641	100.0
196.06978	5.1
211.06230	1.3
211.85120	0.7
241.52908	0.7
357.11935	42.7
358.12280	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
69.32290	2.5
71.01389	1.3
85.02977	0.7
87.00873	9.5
89.02488	0.9
101.02500	0.7
106.08955	0.7
107.05038	55.5
108.05349	1.5
133.06602	88.5
134.06956	4.0
135.04549	12.3
149.06093	83.9
150.06430	4.1
151.07658	100.0
152.07999	5.7
155.20711	0.6
177.05579	22.3
178.05956	0.9
195.06633	92.1
196.06944	4.9
206.96445	0.7
296.38293	0.7
357.11926	55.2
358.12363	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23176	0.4
55.01873	2.7
57.03453	14.5
59.01391	7.4
64.79488	0.4
68.99838	0.6
69.54150	0.8
69.54531	0.9
71.01387	3.7
72.42086	0.5
72.79023	0.5
72.99311	1.9
73.02956	0.8
75.00883	1.7
79.87301	0.4
83.01401	3.3
83.44390	0.4
84.02163	1.1
85.02959	100.0
86.03300	1.8
87.00875	0.8
98.22673	0.7
101.02437	1.6
103.00404	1.5
104.34016	0.5
111.00880	3.9
115.00368	1.2
119.05029	0.5
126.85519	0.5
127.12060	0.5
129.01961	9.3
133.01476	0.6
147.03020	11.6
164.07243	0.6
165.09227	2.3
167.57521	0.5
173.00948	1.5
191.02010	17.6
209.03081	2.7
269.08087	0.5
279.71490	0.5
311.54291	0.5
317.71490	0.5
319.16721	1.8
357.11771	0.9
358.91537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57270	0.4
58.60510	0.4
59.01387	1.9
59.93414	0.4
63.53095	0.5
71.01393	0.5
85.02959	0.6
95.05029	1.1
99.97379	0.4
101.02405	0.5
112.05223	0.4
121.02965	1.8
121.06577	0.6
122.03769	1.7
123.04537	86.5
124.04877	3.0
133.06616	0.9
134.04739	1.4
135.04485	0.8
146.25313	0.4
151.04170	0.5
151.07660	22.6
152.05922	0.6
152.08031	1.3
153.05591	100.0
154.05943	3.4
195.06642	1.3
309.01273	0.5
357.11914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Brasoside
Peak:m/z	Relative Intensity
57.03433	1.3
59.01385	57.3
60.01701	1.3
71.01389	28.2
71.39855	1.1
72.99306	1.6
73.02960	8.0
74.16495	0.9
79.99211	0.9
83.01412	2.8
85.02969	5.4
87.00892	2.1
89.02448	34.5
95.01369	1.2
101.02456	21.0
105.53321	0.9
107.05042	1.6
109.02956	1.9
113.02462	11.6
119.03513	15.5
121.06616	14.8
127.05152	1.9
129.65733	1.0
131.03561	2.4
131.04996	1.3
133.06610	100.0
134.03738	1.0
134.06961	4.3
135.04530	1.8
137.02396	1.3
143.03497	2.3
145.06239	1.9
149.04533	1.3
149.06131	5.7
151.07661	32.8
153.05608	1.7
161.04588	3.0
177.05591	29.9
178.05890	1.1
179.05634	7.8
195.06624	3.5
211.06157	2.4
215.27234	0.9
297.09729	1.2
313.12976	4.8
357.12051	17.7
357.16486	3.3
358.12408	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.97646	0.4
56.60880	0.5
57.03452	3.4
58.00581	0.8
58.02979	2.1
59.01385	22.3
63.68879	0.5
68.26859	0.6
68.99822	1.8
69.05598	3.4
71.01386	13.0
72.00913	0.5
72.99333	0.6
73.02953	1.2
74.02476	7.0
82.06616	0.6
83.01396	1.9
85.02957	24.4
86.02506	0.8
86.03240	0.6
87.00871	5.7
89.02444	9.9
93.03442	1.3
95.01365	1.4
101.02437	6.0
104.03535	4.6
105.07127	1.2
107.05038	100.0
108.05362	4.3
111.00903	3.5
113.02463	3.8
115.05547	1.6
115.08739	2.4
115.68627	0.5
119.03538	3.0
119.84170	0.6
129.01961	4.0
130.08757	2.2
133.06610	19.5
134.06938	0.8
140.07219	1.5
143.03539	0.6
143.11917	2.5
145.06226	0.6
147.03006	0.6
151.07654	27.1
152.08090	1.3
154.01491	0.8
155.11917	3.4
157.09828	2.3
161.04567	1.0
168.73190	0.7
173.00948	1.3
177.05515	2.6
181.23541	0.5
183.10274	5.4
183.15059	0.8
187.10904	0.5
194.11882	2.3
195.06645	37.8
196.06969	1.8
205.12219	0.6
211.14537	1.7
221.16504	0.6
228.16974	0.7
236.20718	0.5
241.10793	0.8
242.18768	6.0
251.12996	2.4
253.15672	1.1
254.18761	4.1
271.16666	2.8
284.20126	1.3
296.19778	4.2
313.13058	1.0
328.18774	9.9
340.18674	0.6
357.11829	8.8
357.21326	2.1
358.12766	0.8
358.19858	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03176	0.9
57.03453	12.9
59.01385	7.2
68.99812	0.5
69.33056	2.8
71.01386	3.6
72.99320	1.5
73.02950	0.7
73.81067	0.5
75.00873	2.9
83.01394	3.2
84.02174	1.9
85.02956	100.0
86.03291	2.5
87.00883	0.6
89.02449	1.3
98.22578	0.9
101.02448	1.1
103.00386	1.3
111.00893	4.8
115.00401	1.0
116.90385	0.5
129.01947	9.0
143.06395	0.5
145.01410	0.7
147.03011	10.0
159.03006	0.5
163.02415	0.6
165.09245	3.4
171.10245	0.9
173.00919	1.6
173.04572	1.0
191.01990	17.6
209.02985	1.0
233.12036	0.6
357.19302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
69.03445	0.4
70.81818	0.4
71.01386	0.5
77.06154	0.2
80.34534	0.2
81.34943	0.2
84.02187	0.6
85.02952	0.8
91.58549	0.2
92.02695	0.9
93.03483	1.7
102.88946	0.3
108.02203	1.9
109.02956	1.1
121.02969	9.4
122.03051	0.3
122.03773	4.5
123.04407	0.2
134.03775	1.3
135.04547	0.5
136.01675	80.2
137.02185	2.6
148.00685	0.2
149.06065	0.3
149.40480	0.2
151.04019	100.0
152.01173	0.2
152.04364	4.4
159.04529	0.7
160.05304	1.2
161.02432	0.4
162.03255	1.6
163.04021	1.4
175.04016	0.7
175.07617	1.3
176.04741	0.4
177.05635	1.2
179.03546	0.7
180.04323	0.4
187.04099	0.5
188.04700	0.3
189.05602	0.8
190.06235	0.3
193.05086	0.3
203.07179	0.4
241.04845	0.3
241.10753	0.4
270.60660	0.3
289.72809	0.2
311.12836	1.1
342.11093	4.1
357.13467	17.7
358.13806	2.8
381.66974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03103	0.8
55.01886	1.1
57.03446	1.9
59.01383	100.0
60.01728	1.0
69.11670	4.0
71.01383	17.0
72.85664	0.7
72.90257	0.7
72.99300	1.1
73.02958	4.8
83.01395	1.3
85.02953	13.3
85.03415	1.2
87.00900	1.2
89.02456	8.7
93.03480	2.9
97.03007	0.8
99.00888	0.9
101.02434	10.0
103.32497	0.7
105.92607	0.7
111.00935	0.9
113.02448	5.8
113.03055	0.6
115.00369	5.2
119.03504	4.1
123.08186	1.0
129.01955	1.0
129.80522	0.7
133.01488	3.2
137.02437	1.1
137.09779	0.9
151.04048	1.6
153.09258	3.3
161.04568	1.8
173.04562	11.1
179.41411	0.9
181.08817	1.9
183.10281	2.5
197.11847	10.3
197.13533	1.1
241.10797	11.4
297.13513	3.0
315.14526	17.9
315.18121	2.0
316.14859	1.9
357.15717	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39332	1.4
55.01892	2.0
57.03433	2.0
59.01384	79.4
69.86173	2.4
69.86563	2.3
71.01390	22.9
72.99313	1.7
73.02953	79.5
74.03285	1.5
83.01404	5.1
83.22715	1.2
85.02949	8.3
87.00883	6.5
89.02447	10.5
97.02959	2.0
99.00921	1.9
101.02456	32.6
113.02450	2.8
119.03510	9.7
121.02953	12.6
143.03522	1.2
161.04572	83.3
162.04938	2.9
171.10280	1.4
181.06621	4.5
199.07701	1.6
225.05569	5.1
240.05847	1.3
315.18146	100.0
316.18506	8.4
357.09686	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39332	1.4
55.01892	2.0
57.03433	2.0
59.01384	79.4
69.86173	2.4
69.86563	2.3
71.01390	22.9
72.99313	1.7
73.02953	79.5
74.03285	1.5
83.01404	5.1
83.22715	1.2
85.02949	8.3
87.00883	6.5
89.02447	10.5
97.02959	2.0
99.00921	1.9
101.02456	32.6
113.02450	2.8
119.03510	9.7
121.02953	12.6
143.03522	1.2
161.04572	83.3
162.04938	2.9
171.10280	1.4
181.06621	4.5
199.07701	1.6
225.05569	5.1
240.05847	1.3
315.18146	100.0
316.18506	8.4
357.09686	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	358.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
56.51337	1.5
58.02965	2.1
59.01388	9.0
63.65427	1.6
73.62603	1.8
82.09467	1.6
83.82406	1.5
88.96458	1.6
97.06575	1.7
98.22640	4.0
123.90504	1.7
125.06099	2.8
128.10799	8.0
130.08749	100.0
131.09088	2.0
152.91806	3.0
167.06964	2.2
174.99219	1.8
176.25934	1.9
217.00311	7.2
220.10539	3.0
245.59605	1.8
277.14084	2.1
277.87210	1.8
322.20245	71.3
323.20618	10.5
358.17456	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	358.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74206	1.5
60.32499	1.6
61.98798	1.9
69.88673	5.6
75.93797	1.7
87.64566	1.7
95.04434	3.5
95.05032	58.3
95.05637	3.7
96.05363	2.3
98.39558	1.6
114.97665	1.6
143.46564	2.2
150.02966	2.2
150.35127	1.7
161.02405	2.5
167.57895	2.1
171.68268	1.8
178.03612	1.8
189.05406	2.4
232.04666	3.7
233.90578	1.9
246.06358	3.6
246.12366	57.8
247.12749	4.1
278.11386	100.0
279.11664	7.9
315.19391	21.8
316.19778	3.0
321.10666	16.1
322.10931	2.5
358.19754	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	358.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
59.14791	4.2
67.73746	3.8
70.32054	3.7
70.32366	6.1
85.91407	3.7
103.93837	3.2
150.70213	4.3
166.22981	3.7
183.78334	3.8
197.13278	3.9
208.54398	4.1
315.19424	100.0
316.19791	13.9
355.11511	3.8
358.20078	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50890	75.8
71.38688	77.3
124.83905	89.2
125.36566	79.1
226.67458	100.0
310.88425	99.8
366.18805	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31114	0.5
54.09663	0.5
59.01382	92.3
60.01722	0.5
61.98820	0.5
69.88214	1.1
72.99326	0.9
73.02979	0.8
78.76819	0.5
95.72707	0.5
99.78430	0.4
106.67941	0.5
117.00493	0.8
132.98242	1.9
134.97050	0.5
156.90874	1.0
156.99908	0.5
157.03583	2.9
159.01529	2.0
174.99263	25.5
175.99609	0.8
198.91930	1.1
198.99579	1.4
201.02556	24.4
202.02806	2.5
217.00310	100.0
218.00633	3.3
232.98505	1.1
259.01703	0.7
274.99603	6.6
275.99692	2.0
298.99829	0.7
315.02692	0.8
317.00644	12.5
318.00754	1.7
359.01657	19.8
360.01730	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	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03455	10.9
59.01383	46.3
66.93204	0.7
68.99839	1.0
71.01022	1.5
71.01390	18.9
72.99312	2.2
73.02958	2.2
75.00885	3.0
76.66715	0.8
79.95752	4.4
80.96508	2.3
83.01388	3.4
84.02143	1.5
85.02957	100.0
86.03286	2.6
87.00895	1.1
89.02451	12.2
91.01926	1.3
95.01386	1.9
99.00937	1.0
101.02460	10.0
103.00349	1.0
111.00909	5.3
113.02455	7.0
115.00382	1.2
119.03568	3.6
121.02959	4.3
123.00901	12.2
123.04533	2.5
129.01968	8.9
136.99135	1.8
137.02455	4.6
137.06097	1.6
138.03233	13.8
139.00343	1.1
139.04018	1.0
147.03020	11.9
151.79083	0.7
153.05589	8.5
154.05914	1.0
155.03513	0.9
164.98621	2.0
165.01961	1.1
166.02638	0.9
166.99895	4.1
167.03494	3.8
173.00905	1.6
180.04298	0.8
181.01424	3.7
181.05070	1.0
182.00758	1.4
182.02234	13.7
182.73380	0.7
182.99663	1.7
183.02898	0.7
185.82957	0.7
191.02005	19.2
191.18970	0.7
196.03802	3.1
197.04567	42.8
198.04880	2.1
200.38278	0.7
209.03029	14.5
209.04869	1.4
211.06201	4.5
224.03339	1.6
239.05652	15.0
244.79085	0.8
269.06665	1.3
299.07751	2.7
344.07214	1.4
359.06418	1.5
359.09857	40.7
360.10168	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	359.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01159	0.7
55.01872	2.6
57.03453	12.3
59.01385	14.3
68.00446	0.7
68.99790	0.9
70.44955	1.4
71.01391	8.5
72.99309	1.7
73.02975	1.1
75.00880	3.4
83.01391	2.1
84.02152	1.3
85.02959	100.0
85.24516	0.7
86.03310	2.6
87.00896	1.3
89.02458	3.9
91.01946	1.1
95.20966	0.9
101.02468	2.7
103.00391	1.4
106.73895	0.8
108.02168	1.4
111.00887	5.5
115.00385	1.5
119.03522	1.3
123.04522	2.4
127.48138	0.8
129.01941	8.6
133.01443	0.8
138.02022	0.7
147.03017	12.7
149.02438	0.7
163.75880	0.8
164.04779	1.5
167.03506	3.2
168.18703	0.8
173.00885	1.6
179.07117	1.1
191.01994	24.0
197.04671	1.2
209.03033	14.1
308.30353	0.8
314.33716	0.7
359.06055	1.9
359.09955	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	359.0776
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
53.46565	0.2
57.03452	0.4
59.01379	2.2
62.91426	0.3
69.03455	0.7
69.55946	0.5
69.56326	0.4
71.01383	0.6
72.99313	18.5
73.02943	0.7
79.16650	0.3
80.61471	0.2
85.02958	1.6
89.11639	0.3
94.01153	0.2
95.05066	0.3
99.00910	0.2
99.36143	0.2
101.02414	0.5
105.03486	0.4
107.05045	0.7
109.02948	0.5
123.04533	9.4
124.04868	0.4
132.02184	1.0
133.02968	23.1
134.03357	0.8
135.04536	20.8
136.04863	0.9
147.33800	0.2
160.45654	0.3
161.02455	100.0
162.02789	5.1
179.03508	14.4
180.03877	0.7
180.06653	0.3
183.51942	0.3
191.02065	0.3
195.29115	0.3
197.04561	23.9
197.11824	0.3
198.04857	1.1
220.35451	0.3
222.76228	0.3
243.12447	0.9
300.10428	0.2
317.19659	1.0
325.74774	0.3
335.20456	0.3
359.07700	2.6
359.11505	0.5
359.20801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01384	100.0
70.69360	1.8
71.01387	38.9
72.99296	3.0
73.02934	1.7
83.01380	2.1
85.02962	10.2
85.03387	1.7
87.00879	2.5
89.02453	36.5
95.01392	3.2
101.02445	18.2
113.02460	20.1
119.03521	10.7
121.02936	9.3
123.00899	4.1
123.04504	1.5
137.02455	8.7
138.03212	4.9
139.00366	1.7
139.04025	4.1
140.01205	6.9
153.01958	1.8
153.05591	11.3
155.03537	7.0
161.04630	2.4
165.01967	2.0
166.99879	2.6
167.03487	1.6
179.05554	2.3
180.04210	1.4
181.01465	6.5
182.02264	8.5
183.02844	1.4
196.03796	5.8
197.04561	79.4
198.04745	3.0
200.28506	1.4
201.02571	1.9
211.06097	16.3
217.00287	6.6
224.03278	3.8
239.05621	54.4
240.05946	2.9
248.96092	1.4
269.06665	6.7
299.07941	6.3
344.07458	2.1
359.09836	45.8
360.10373	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01872	2.0
57.03447	2.1
59.01385	100.0
69.19943	6.9
71.01392	40.3
73.02945	2.8
83.01385	3.0
85.02962	10.7
89.02457	32.5
95.01377	4.1
98.21797	2.3
101.02457	21.3
106.27412	1.2
109.02988	1.5
113.02463	16.6
119.03529	10.7
119.04990	1.3
121.02957	6.9
123.00876	5.0
137.02458	7.9
138.03238	5.1
139.04013	3.5
153.05609	10.3
155.03488	1.4
165.01840	2.0
166.99893	4.7
180.04295	1.8
181.01469	6.9
182.02240	9.1
195.06659	2.2
196.03792	5.5
197.04576	51.4
198.04887	3.5
211.06125	9.2
224.03282	3.6
239.05634	32.5
239.65463	1.3
240.06064	1.8
269.06619	4.0
280.43939	1.6
299.07904	6.6
344.07440	3.0
359.09857	78.5
360.10294	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	359.1251
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
55.01871	0.6
57.03436	0.9
59.01381	8.6
70.46438	1.7
71.01367	2.1
73.02956	0.8
80.38646	0.6
84.04491	0.8
85.02951	4.0
88.73440	0.7
94.06617	1.0
95.03763	2.8
95.05016	1.4
96.08171	1.3
96.74500	0.6
96.96078	0.7
98.22614	0.7
99.04520	0.8
101.02408	1.0
107.03781	0.8
111.00891	1.4
118.06645	1.7
119.03467	0.8
120.08204	1.8
121.05358	5.3
122.06140	6.1
124.07697	11.0
125.07990	0.6
131.03749	1.8
132.04515	0.9
134.06122	1.3
136.07649	1.2
138.05612	0.8
146.06137	19.3
147.06543	0.9
148.07709	11.1
150.09259	13.3
150.10443	1.1
153.04414	0.8
162.05602	1.1
191.05669	0.7
199.08678	1.0
200.10826	1.6
201.07883	1.0
215.11899	12.8
216.10278	1.6
216.12199	1.1
222.29070	0.7
227.08308	3.4
227.11935	1.7
228.14029	1.5
239.02905	0.7
239.08327	0.8
240.09050	0.7
241.09845	6.6
242.10236	0.9
243.11383	34.6
243.14940	5.7
244.11685	2.9
255.11429	2.8
267.07645	1.5
269.12936	1.5
271.10117	1.1
271.14560	13.4
272.14807	1.3
287.14038	9.1
297.12463	2.8
315.13522	100.0
316.13791	12.3
324.96777	0.7
341.11444	1.0
356.92352	0.6
359.07785	1.5
359.12494	31.8
359.16977	3.4
360.12775	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	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49757	1.6
53.05724	1.8
57.03419	1.6
59.01383	100.0
64.53658	1.8
69.41106	7.0
71.01385	67.5
79.95740	51.2
80.96519	32.6
83.01353	2.3
83.05032	9.5
85.02950	18.9
87.00890	2.3
89.02451	69.9
95.01384	2.9
95.05075	1.7
101.02446	24.2
111.04518	1.9
112.31281	1.6
113.02459	64.9
114.02760	1.8
119.03501	21.8
120.99676	10.5
121.02976	16.0
122.03787	1.8
123.00900	6.1
131.03523	1.6
134.03716	2.5
136.99153	29.4
137.02487	4.4
138.03235	4.5
139.03993	7.0
143.03543	3.4
149.04561	3.3
151.07678	10.0
153.05568	13.1
153.09181	2.5
161.04652	2.1
164.98637	34.2
166.99890	4.2
179.05627	5.8
179.07149	11.5
181.01442	6.4
182.02213	12.4
182.99718	5.8
193.05045	2.0
196.03757	4.8
197.04550	44.3
197.08382	11.3
198.04912	3.3
211.06171	8.9
224.03276	4.9
239.05618	28.2
269.06686	15.5
299.07813	4.1
342.68018	1.9
359.04492	7.7
359.09848	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	359.1352
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.73408	1.0
55.01871	4.0
57.03430	1.6
59.01384	10.7
69.37254	3.6
71.01384	6.1
73.02935	4.6
78.96893	0.9
85.02954	4.6
87.04510	5.4
89.02435	3.9
92.28590	1.0
95.05066	1.1
97.02946	2.6
101.02435	2.2
113.02460	7.2
123.04535	2.2
132.03055	2.2
133.10239	3.2
135.04495	1.2
135.08162	8.5
153.09227	98.7
154.09566	4.5
177.09207	2.4
197.08209	100.0
198.08592	6.5
202.16467	1.0
221.08116	5.2
239.09261	4.3
240.09660	1.2
249.10522	1.3
341.81140	1.1
359.13452	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	359.1351
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01874	1.9
57.03433	2.1
59.01381	11.9
69.03453	1.3
69.71839	2.7
69.72225	2.0
71.01371	4.5
71.05026	1.3
73.02938	5.4
74.02432	1.1
83.05023	1.2
85.02954	7.5
87.04533	6.0
89.02454	3.6
97.02958	2.1
98.22000	1.9
101.02440	2.7
110.32570	1.1
111.00877	1.8
113.02447	5.8
119.03535	1.7
123.04554	1.6
129.01976	2.0
131.03479	1.5
133.10202	2.0
135.08185	4.9
153.09224	97.7
154.09534	4.9
177.09175	1.4
179.07129	2.4
185.11916	1.5
195.10451	1.3
197.08203	100.0
198.08600	5.6
214.41464	1.1
221.08162	3.2
226.67741	1.4
239.09236	3.6
239.11618	1.0
243.12392	1.7
359.20682	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24722	1.1
55.01881	3.7
57.03465	2.5
59.01389	16.9
67.08559	1.0
68.38646	1.2
69.03485	1.6
69.20074	4.0
69.20490	2.4
71.01382	6.9
73.02962	5.0
83.05026	1.1
85.02961	7.1
87.04525	8.9
87.54539	1.0
89.02470	5.2
97.02950	1.7
99.04564	1.7
101.02450	3.2
111.04574	1.2
113.02467	7.2
115.07720	1.1
115.85505	1.1
123.04539	2.3
133.10274	3.4
135.08176	9.6
153.09229	100.0
154.09607	6.1
174.39684	1.2
177.09177	2.2
179.05687	1.3
179.07155	2.8
187.13440	1.6
195.10255	1.8
197.08211	96.8
198.08565	4.2
201.67256	1.2
221.08270	5.7
239.09312	6.6
243.12402	2.3
299.11490	1.3
317.19684	16.0
324.16290	1.5
359.13464	3.2
359.20685	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	359.1503
Annotation	Bipinnatin N
Peak:m/z	Relative Intensity
59.01371	5.4
60.43449	1.3
69.03445	3.7
69.10421	3.2
69.10819	5.2
71.01376	3.9
72.98769	1.1
75.75188	1.1
75.76247	1.2
79.57258	1.1
83.01364	1.7
85.06605	2.1
93.03468	20.6
93.07092	1.3
95.01387	3.1
95.05047	5.0
97.06584	1.3
98.21903	3.1
99.00891	3.2
108.02191	1.4
109.02942	3.0
119.05042	5.5
121.02929	1.5
121.06601	11.1
123.04563	7.5
123.08174	6.7
123.08933	1.4
133.06589	2.5
135.04579	1.7
137.09709	4.2
147.04552	1.8
147.08162	3.7
148.05296	3.6
149.06055	5.6
149.09727	2.3
151.07649	11.2
153.05592	1.6
157.06575	2.9
159.04469	5.8
160.05257	9.5
161.02399	1.9
161.06084	1.5
163.07611	1.4
174.03242	3.9
175.06233	2.6
175.07651	33.6
176.04755	4.8
176.08095	2.4
177.05568	2.4
177.09282	1.7
178.06360	42.9
179.06837	4.0
189.05557	2.5
189.09229	2.5
190.06346	4.6
191.07124	15.4
193.08702	29.4
194.09184	1.5
201.09265	2.6
203.10742	4.0
205.08723	11.5
205.38362	1.6
206.08923	1.5
207.06635	4.6
215.07144	4.4
216.07767	2.9
217.00282	2.6
217.08676	3.9
219.10245	4.4
230.09537	2.5
231.10300	9.5
232.10922	2.5
243.10378	1.8
245.11745	10.1
246.12535	3.2
247.13284	1.7
257.11749	3.2
259.13184	1.8
270.09018	2.5
271.09860	1.5
271.13333	4.2
272.14011	2.5
285.11298	8.0
287.16531	4.2
297.15039	2.6
299.12854	2.3
300.13663	16.5
315.16031	100.0
316.16318	10.0
331.15344	2.2
359.14987	27.0
359.18881	2.6
359.27954	5.4
360.15244	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	359.1504
Annotation	Bacchariol
Peak:m/z	Relative Intensity
59.01340	2.3
61.88457	0.5
67.01863	1.3
67.08514	0.6
68.72145	0.7
69.03467	6.3
83.05003	1.1
87.33202	0.6
93.03448	1.8
93.69001	0.6
95.04969	1.0
96.75689	0.6
97.06579	0.9
97.43790	0.6
98.21880	1.3
103.25843	0.6
106.04228	1.7
107.05011	1.1
113.63794	0.7
119.05069	1.1
121.06609	10.1
123.04459	0.7
123.08158	1.8
125.06030	0.9
126.02737	0.6
133.06549	0.8
135.04483	1.3
137.06076	1.0
137.09698	1.7
149.06068	1.7
151.07652	3.3
159.04401	0.8
160.05244	1.1
163.07631	0.7
173.06041	2.2
175.03970	1.0
175.07683	3.7
176.04774	1.7
178.06361	4.0
189.09193	1.6
191.07162	3.3
193.08742	4.2
201.85062	0.7
202.06305	0.9
203.10764	2.1
206.09479	0.9
207.06670	0.8
215.07083	1.3
216.07872	2.7
217.00305	1.3
217.08701	20.5
218.09468	7.7
219.06374	0.9
219.09987	1.0
228.07878	1.8
229.08638	1.0
229.12260	0.9
230.09435	1.5
231.10268	17.1
232.11060	36.6
233.11632	5.4
234.08958	2.1
235.06143	0.9
235.09750	4.3
241.08662	1.8
242.09567	1.4
243.10277	11.6
245.11798	2.0
246.08974	12.7
247.13409	59.2
248.13751	6.1
255.10266	1.8
256.11032	9.4
257.11823	4.4
260.10489	1.8
261.07666	1.5
263.09195	4.1
264.09711	1.2
267.10236	1.6
270.08954	1.7
270.12549	1.5
271.13416	26.2
272.14047	3.7
281.11734	1.1
282.12665	1.9
285.11325	8.8
286.11655	1.3
287.13150	1.0
287.16556	2.9
297.14920	3.3
299.12964	3.2
300.13702	15.4
301.14066	1.7
315.16022	100.0
316.16388	9.4
359.15024	21.2
360.15338	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64294	0.3
57.22494	0.3
80.01868	0.3
80.94936	0.3
98.21941	0.4
102.39844	0.3
161.06456	1.0
194.99654	0.3
217.07253	1.6
261.04462	0.5
269.69290	0.3
275.05991	0.9
277.07562	3.9
343.12231	0.3
357.13824	3.1
359.15393	100.0
360.15564	16.3
377.16550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77153	0.6
55.01883	4.5
57.03456	2.5
59.01385	32.9
60.33594	0.5
69.13414	0.5
69.36079	2.9
71.01386	22.9
72.99300	0.8
73.02951	8.8
83.01396	6.5
85.02953	14.8
86.00104	1.7
87.00896	1.4
89.02466	5.8
95.01392	2.2
97.02956	1.1
99.00907	2.7
99.04553	0.7
101.02453	23.6
102.02830	0.6
110.87288	0.5
111.00911	0.9
113.02464	8.8
115.00294	0.5
119.03509	2.6
136.78059	0.5
139.11235	1.4
153.59846	0.6
159.03030	0.9
161.04558	1.8
175.56825	0.6
197.11868	2.2
243.12408	4.1
359.17133	100.0
360.17529	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	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.00583	4.3
58.21149	1.9
59.01377	13.9
70.39611	3.4
71.01387	14.0
72.99322	6.0
73.02950	3.4
85.02963	6.8
85.36439	2.0
85.58923	2.0
87.00890	8.3
89.02466	2.3
95.54154	2.0
97.02975	3.0
97.06596	1.9
99.00907	6.2
101.02464	2.0
108.02195	2.2
111.00929	3.1
115.00375	6.0
121.02954	5.8
123.04504	2.6
125.58704	1.8
128.70830	1.8
133.03003	6.0
135.04561	4.8
139.11272	1.8
147.03119	3.8
153.05640	3.1
154.25134	2.1
161.02446	33.9
163.11288	2.5
165.12831	3.1
179.03479	5.1
181.12392	7.0
183.10329	4.7
183.13957	3.0
195.13890	4.5
197.04588	16.7
199.13422	7.7
207.10191	9.6
211.13414	39.9
213.14972	37.9
214.15271	4.2
214.98541	2.1
223.13397	8.8
225.11354	18.2
235.13416	3.2
241.14476	100.0
242.14876	11.1
243.07773	4.8
243.12395	61.1
244.12726	4.1
251.12907	33.2
252.13406	3.4
253.14401	14.7
259.13461	14.4
263.12973	2.5
265.14575	3.4
269.13913	3.1
277.14502	13.1
279.13400	2.3
293.13910	2.1
305.13925	3.2
317.19681	3.9
323.14877	3.1
359.08932	7.8
359.16742	3.6
359.20859	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	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.7
55.65657	0.8
57.03443	1.7
59.01385	12.9
60.70829	0.9
63.39214	0.8
71.01391	10.7
72.99320	10.1
73.02953	100.0
74.03279	2.1
74.15517	0.9
75.00871	1.3
77.53471	0.9
78.08069	0.8
83.01392	18.4
85.02962	10.8
87.00896	1.7
89.02430	1.2
91.91898	0.8
99.00885	12.7
101.02450	76.4
102.02776	1.3
125.04573	0.9
127.00401	9.9
135.04510	0.9
145.01447	55.8
146.01772	1.1
163.02473	4.3
183.14037	1.6
185.11774	1.3
195.13896	4.4
213.14969	23.5
214.15340	2.8
253.14578	1.1
255.16130	1.1
359.16516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.5
57.03446	2.6
59.01383	18.5
68.99833	1.0
71.01390	15.6
72.99312	11.4
73.02953	100.0
74.03297	1.4
75.00876	3.5
81.03488	1.1
83.01402	19.7
85.02953	11.3
86.25693	0.9
87.00883	4.1
92.28874	1.0
99.00894	11.2
99.04545	1.9
101.02451	82.4
102.02807	1.9
103.00391	1.5
109.06642	1.0
127.00385	10.0
130.08804	2.4
133.02937	1.1
135.04550	2.6
142.57076	0.9
145.01443	53.7
146.01746	1.3
150.59604	0.9
161.02478	2.3
162.60661	0.9
163.02464	4.1
171.10196	2.0
179.03505	2.6
183.13937	4.3
185.11842	1.8
195.13918	4.3
197.04657	1.3
211.13484	1.5
213.14977	24.5
214.15327	1.3
217.00456	1.3
243.15884	1.6
247.13367	1.3
253.14458	1.7
266.01273	1.0
297.17114	1.5
315.16101	1.2
341.16693	1.1
350.14728	0.9
359.12506	2.7
359.16986	1.7
359.20935	2.3
359.62457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74575	0.6
59.01379	1.5
66.29446	0.6
69.21579	1.0
69.21986	2.4
71.01387	40.3
83.14049	0.5
85.70663	0.6
98.22572	1.2
115.00383	9.5
123.77010	0.7
133.01492	0.8
150.37198	0.6
161.02397	0.8
165.12820	1.0
183.13908	6.4
193.12390	1.4
211.13416	100.0
212.13756	5.9
217.00252	0.7
224.36803	0.7
227.12888	1.1
241.14134	0.6
242.08939	0.6
243.15985	0.6
287.22482	1.1
359.28149	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	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73341	0.7
55.01866	1.7
57.03448	7.7
59.01383	23.8
59.71154	0.8
60.40223	0.7
69.03464	2.5
71.01383	7.0
71.05016	5.5
73.02951	1.2
73.28083	0.7
81.03461	49.4
83.01375	1.0
83.05035	1.6
84.02171	4.0
85.02956	34.9
87.04530	6.1
94.84676	0.7
95.05049	0.9
95.45476	0.8
97.06567	1.2
99.04525	100.0
100.04887	2.4
109.06615	1.4
111.00884	1.0
111.04521	4.1
115.00383	4.5
123.04540	1.6
125.09721	2.1
127.11282	1.9
129.01953	1.0
133.01428	1.0
135.08205	0.8
136.01585	0.9
139.11296	8.2
151.07628	3.7
161.02368	0.9
163.11356	0.8
169.08733	3.0
171.10280	47.6
172.10577	1.4
181.12352	5.9
183.10222	6.9
185.11800	3.2
197.04504	1.6
199.13403	2.4
201.11316	12.2
211.13428	1.1
213.11310	6.6
225.11391	2.2
235.13474	1.5
241.14461	2.0
243.12389	44.5
244.12689	2.7
251.12881	2.6
253.14374	4.9
257.13950	1.2
271.15506	14.2
272.15817	1.2
287.16663	1.2
305.17529	1.2
317.19702	7.8
323.18661	1.6
341.19766	4.9
359.20859	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.0
69.67610	2.0
71.00039	0.5
74.91251	0.5
95.06688	0.5
102.95187	0.5
155.09831	0.6
277.21744	100.0
278.22092	10.0
359.22049	18.7
360.22482	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	360.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21868	21.4
59.01385	91.6
67.18469	20.2
69.21017	71.4
69.21427	60.6
74.46315	21.0
88.18327	19.0
90.71489	18.1
101.25068	22.9
139.25256	21.5
155.10783	100.0
343.30368	23.8
361.14621	26.1
372.47705	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	361.1141
Annotation	Procumboside
Peak:m/z	Relative Intensity
55.01887	2.4
57.03439	3.0
58.00608	2.1
59.01383	100.0
64.07495	1.3
68.99818	3.0
69.03449	6.7
69.77674	2.4
69.78045	3.0
71.01388	63.8
72.99300	1.9
73.02953	24.4
81.03467	4.9
83.01386	3.6
83.05025	2.3
85.02953	11.6
89.02452	55.3
93.03488	4.4
94.20960	1.6
95.01412	4.0
95.05006	2.2
97.02964	31.8
97.06593	2.1
99.00897	30.9
99.04539	5.3
101.02451	32.3
107.05033	7.3
109.02965	3.0
111.04527	6.7
112.01684	4.1
113.02467	24.0
119.03516	18.8
119.05053	2.9
121.03006	2.0
121.06624	1.9
122.03789	2.6
123.04533	4.0
124.01718	2.7
125.02456	2.8
125.06110	13.6
131.03484	1.7
135.04514	20.9
137.02438	8.4
137.06100	2.2
138.03223	3.5
139.04048	2.2
143.03465	2.5
149.04572	1.9
149.06047	3.8
151.04005	2.3
152.04735	1.8
153.05588	19.3
155.03503	5.2
159.04492	4.0
161.04544	2.9
163.04030	5.7
177.05521	4.6
179.05620	6.7
181.05072	68.5
182.05438	4.2
199.06049	1.9
205.04913	2.3
223.06081	2.7
232.20094	1.6
361.11456	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	361.1142
Annotation	Procumboside
Peak:m/z	Relative Intensity
51.27195	1.3
55.01878	2.9
57.03450	2.4
58.00581	2.3
59.01383	100.0
67.01869	1.6
68.99815	4.4
69.03469	7.1
69.12557	1.4
70.06636	3.1
70.06980	1.5
71.01387	75.9
72.99303	1.3
73.02949	24.0
81.03460	4.5
83.01396	4.6
83.05019	2.5
85.02966	13.1
87.00886	1.6
89.02448	63.3
89.37534	1.5
93.03461	4.5
95.01383	3.7
95.05047	1.6
97.02961	26.4
97.06591	2.8
99.00891	33.2
99.04525	4.6
101.02448	42.6
107.05038	8.7
108.02177	2.7
109.02973	3.9
111.04527	5.8
112.01686	3.1
113.02457	27.3
119.03501	24.6
119.05013	2.4
121.06555	1.6
123.04533	5.2
125.02484	2.1
125.06095	14.4
127.03996	2.3
131.03522	1.5
131.05016	1.6
135.04549	19.9
137.02432	7.9
137.06107	4.5
138.03172	2.2
139.04024	2.3
143.03497	4.7
149.04544	1.3
149.06088	3.3
151.04010	3.1
153.05585	18.5
155.03517	7.3
159.04544	2.8
161.04582	5.3
163.04024	5.7
177.05515	6.8
179.05659	8.2
181.05072	86.5
182.05441	4.7
199.06137	3.5
223.06085	3.0
226.74953	1.4
233.65024	1.3
276.87177	1.4
283.08258	1.4
326.32159	1.3
361.11346	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	361.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88725	0.4
55.01869	0.8
57.03441	1.2
59.01384	10.0
62.48472	0.5
70.71326	0.8
71.01027	0.7
71.01392	10.3
73.02959	2.3
78.01104	0.9
81.03471	0.5
83.01392	2.4
85.02958	6.8
89.00333	1.6
89.02450	5.9
91.01894	0.8
97.02941	0.8
99.00914	1.4
101.02447	11.5
106.00585	1.9
111.00858	1.3
113.02467	0.9
113.44339	0.5
119.03488	1.5
121.02967	33.9
122.03281	1.3
123.00881	2.8
127.00391	0.6
131.03484	0.5
135.04533	1.1
136.98772	0.7
137.02490	1.1
138.03252	5.0
139.00345	0.7
142.06607	4.3
143.06993	1.4
147.02986	1.0
148.04099	0.5
153.05586	30.8
154.05907	0.9
163.06165	1.4
166.99895	0.6
168.00552	0.6
179.03471	0.6
179.05690	0.6
181.05040	0.8
181.05566	0.8
181.07210	7.1
181.08664	0.9
182.02222	2.7
183.02901	1.7
187.05933	0.6
191.01949	1.2
197.04567	100.0
198.04904	5.8
334.84860	0.5
361.11554	1.1
361.15427	1.3
370.03113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1509
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.47135	0.5
53.81407	0.5
56.59927	0.4
57.03446	0.9
59.01387	13.4
61.18784	0.5
71.01386	7.0
71.38066	0.9
72.99302	0.6
73.02949	3.2
75.00867	1.0
83.01373	0.5
83.06975	0.5
85.02956	5.0
87.00871	0.8
87.04517	1.2
89.02452	7.1
90.83208	0.4
91.63198	0.4
95.01367	0.7
95.36817	0.5
97.02956	0.9
97.06596	1.0
99.00907	0.7
101.02429	3.4
110.06111	1.6
111.04512	0.9
113.02466	5.6
116.07207	1.0
119.03507	1.2
121.05351	1.0
121.06631	0.7
122.06126	3.5
129.01952	0.7
132.04590	0.9
135.08170	2.5
137.09738	23.6
138.10098	1.7
143.03456	0.7
144.04572	0.9
145.05353	9.2
146.06082	1.8
148.54268	0.4
155.10793	100.0
156.11096	5.1
160.04048	12.8
161.04840	10.7
162.05521	0.8
169.12381	0.9
176.03557	1.4
177.04198	2.2
179.05620	1.1
179.10820	1.7
181.08746	2.7
183.10277	1.6
188.03600	0.6
189.04321	19.0
190.04842	1.6
193.03876	1.5
197.11861	0.6
199.09781	78.2
200.10115	4.8
204.22623	0.5
221.03342	1.2
221.06956	4.3
222.07417	0.6
223.09792	3.8
231.11349	0.7
231.36484	0.6
231.38808	0.6
241.10930	3.1
243.11438	1.3
255.11415	3.3
267.11453	6.7
271.10721	0.7
285.12375	1.3
299.10406	3.1
301.12881	0.7
311.10419	9.2
312.10648	0.8
329.11404	3.9
331.13055	4.7
343.12952	21.2
344.13290	2.7
359.54068	0.5
361.14084	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	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	1.1
59.01381	14.7
62.11258	0.6
65.11458	0.6
69.78851	2.4
71.01387	8.5
73.02944	2.7
79.60889	0.6
85.02959	2.8
89.02454	7.0
96.13234	0.6
97.06573	0.8
101.02444	2.4
113.02452	4.6
119.03510	1.7
135.08168	1.9
137.09732	28.9
138.10100	1.4
155.10788	100.0
156.11124	4.2
170.90660	0.7
179.05635	1.4
179.10788	1.4
181.08742	2.0
196.31410	0.7
199.09766	73.0
200.10089	3.5
221.12012	0.7
223.09743	3.7
224.32193	0.6
241.10780	2.2
332.47659	0.7
361.15146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
56.36782	0.5
57.03448	8.4
57.10300	0.6
58.41493	0.5
59.01385	15.7
61.96219	0.6
62.17009	0.5
63.00480	0.5
66.31730	0.5
68.49437	0.6
69.03454	1.7
69.34247	1.3
69.34654	1.3
71.01390	32.2
72.01740	0.7
73.02963	5.3
83.05032	0.9
85.02954	3.0
89.02454	7.6
93.03475	0.7
95.01405	0.7
95.05054	1.5
97.02956	3.2
99.04475	0.8
101.02450	4.3
101.06093	43.4
102.06444	1.0
109.06603	0.9
111.04526	5.8
113.02464	2.9
113.06091	4.3
119.03511	2.7
119.04980	0.6
123.04521	5.1
124.05344	1.1
125.09753	0.7
127.06918	0.6
127.07689	5.5
135.08183	5.6
137.06035	0.6
141.05598	41.5
142.05983	0.8
153.09242	3.3
161.04570	1.3
169.44650	0.6
171.10333	3.7
179.05710	0.7
181.08722	14.9
199.09778	100.0
200.10146	4.5
361.15137	9.3
362.15479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46074	0.6
54.96659	0.7
57.03428	0.9
59.01385	4.4
66.71306	0.6
70.62402	0.8
71.01366	1.7
73.02946	3.9
77.70393	0.6
85.02969	3.9
87.04511	3.8
89.02460	0.8
97.06583	0.9
99.00880	0.7
101.02424	0.8
113.02472	2.3
131.03502	2.8
137.09734	10.1
139.11244	0.7
155.10791	100.0
156.02646	0.7
156.11142	5.8
165.92926	0.7
169.12326	2.6
181.08836	0.7
199.09782	51.9
200.10049	3.2
241.10817	2.0
241.45863	0.5
289.11588	0.6
361.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	Epinodosin
Peak:m/z	Relative Intensity
54.72375	1.5
59.01369	5.7
65.03956	5.5
69.03465	25.8
70.51389	2.9
73.02972	1.9
83.05042	5.5
85.02948	3.6
85.06591	10.9
95.05025	3.4
97.06602	7.8
99.00866	2.6
108.02204	2.3
109.02979	1.8
109.06612	6.8
113.02488	16.5
120.37977	1.6
121.06590	2.0
123.08164	6.5
133.06554	2.3
135.04538	2.6
135.08142	4.3
147.08136	2.7
149.06125	2.0
151.07658	28.8
151.11232	2.0
152.07996	1.8
161.06097	2.2
163.07603	3.3
165.09192	3.3
171.08153	5.3
172.08775	2.1
173.09755	4.9
173.13367	5.4
175.07642	3.2
180.20052	1.7
183.08194	3.6
185.06035	2.9
187.07643	3.9
189.12816	2.2
193.08694	3.2
199.07666	4.4
200.08337	2.7
201.09213	16.4
202.09958	2.3
203.10782	6.2
216.07811	1.7
217.12399	2.5
219.10197	3.9
220.10970	1.9
226.09888	3.6
229.12376	2.3
231.10422	3.6
232.10953	2.2
233.11789	14.4
235.13448	7.3
241.12442	4.0
243.10254	3.1
243.14066	3.5
245.11859	2.5
246.12662	3.2
247.13406	4.7
251.10876	2.6
255.13931	6.3
257.11768	1.7
257.15457	3.9
258.12607	6.4
259.13394	6.1
261.14957	29.1
262.15033	2.4
265.12350	2.7
266.13034	5.5
269.11862	15.5
269.14490	2.6
270.12595	1.7
271.13495	3.4
271.17105	4.6
273.15051	12.7
273.18661	9.3
281.15530	7.1
282.12753	4.1
283.13376	8.3
284.14160	14.8
287.12866	6.5
288.13730	8.5
289.14059	2.4
299.16547	91.6
300.16824	14.3
301.14597	3.7
302.15344	11.9
317.17618	58.8
318.17892	6.6
343.15594	25.0
344.15836	3.9
361.16583	100.0
362.16904	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Gibberellin A36
Peak:m/z	Relative Intensity
57.03442	2.6
59.01373	7.3
68.46693	1.7
69.03453	6.2
73.02966	2.5
81.03458	4.1
83.04997	3.4
85.02942	2.8
85.06604	7.6
91.66458	1.7
95.05039	5.6
97.06589	14.2
99.00894	10.0
107.01384	2.0
109.02962	17.5
109.06593	4.8
111.00901	6.7
113.02421	2.5
117.03472	8.7
119.05000	3.5
121.06646	1.9
123.08168	6.4
126.23159	1.9
130.08746	3.9
131.09149	2.1
135.04565	3.4
135.08177	6.3
137.09744	4.5
139.07710	3.0
145.02968	25.8
147.08244	2.1
149.06081	2.9
149.09732	2.2
151.07700	4.3
161.06129	2.1
163.03999	3.4
163.07706	2.6
171.08173	4.0
173.09612	2.1
173.13370	4.2
175.07579	2.7
175.11395	3.0
183.08118	3.6
189.12839	1.9
191.07164	2.6
191.10828	2.1
191.14510	2.3
193.08716	13.5
195.10117	2.1
199.07660	5.3
201.09256	12.0
202.98717	5.6
203.10751	4.8
204.07848	2.1
209.08171	2.3
217.00313	2.7
217.12268	2.1
219.10236	2.1
231.10201	3.0
233.11829	12.2
244.11128	2.5
245.11649	2.5
246.12579	3.9
247.13216	1.9
251.10799	2.6
255.13998	4.3
257.15442	3.4
261.14996	14.1
265.12302	4.6
266.13126	2.1
268.03708	2.6
269.04538	16.1
269.11813	9.8
270.04889	3.0
271.17230	3.1
273.15112	3.5
273.18597	10.0
281.15369	5.7
282.12540	2.6
283.13629	4.6
284.14169	10.4
287.12860	7.8
299.16504	62.4
300.16769	6.6
301.14612	3.6
302.15244	7.0
317.14133	3.5
317.17609	47.5
318.17780	4.0
323.20618	2.8
343.15506	19.1
344.15942	3.0
361.08679	12.2
361.16559	100.0
361.58365	2.4
362.16922	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	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55558	1.3
59.01383	100.0
59.63911	1.5
60.01709	2.5
71.01372	6.5
71.40938	1.4
85.02947	2.8
89.02446	3.1
101.02441	4.6
113.02455	2.1
157.12361	1.9
178.91866	1.3
199.13449	1.7
242.48622	1.2
244.01019	1.2
254.94310	1.4
273.14920	1.4
276.31308	1.3
289.68689	1.4
361.12823	2.8
361.19211	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	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55558	1.3
59.01383	100.0
59.63911	1.5
60.01709	2.5
71.01372	6.5
71.40938	1.4
85.02947	2.8
89.02446	3.1
101.02441	4.6
113.02455	2.1
157.12361	1.9
178.91866	1.3
199.13449	1.7
242.48622	1.2
244.01019	1.2
254.94310	1.4
273.14920	1.4
276.31308	1.3
289.68689	1.4
361.12823	2.8
361.19211	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	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09355	0.7
55.91382	0.8
56.23071	0.8
59.01384	21.5
69.45888	3.6
78.60025	0.9
85.89201	1.0
93.17329	0.9
110.14695	0.8
178.14267	0.9
181.49449	0.9
250.50720	0.8
279.23322	100.0
280.23676	11.0
361.15259	17.2
361.23550	18.7
362.15491	2.4
362.24054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67411	3.0
58.41313	2.3
59.01385	100.0
63.04893	2.5
69.92245	4.7
69.92612	5.1
75.44836	2.5
82.03327	2.6
98.22520	4.4
279.53491	3.0
292.66852	2.7
301.21683	6.0
361.23895	36.3
362.23920	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	361.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.74004	1.8
63.60486	1.9
64.18353	1.9
77.66785	2.3
95.19262	2.2
96.82877	2.3
102.55356	1.9
111.95464	2.2
171.22969	2.1
261.05920	2.4
275.07672	4.6
301.21744	36.7
302.22012	3.9
319.22745	6.0
321.06570	2.1
361.18542	9.9
361.23816	46.4
362.24167	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	362.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01791	21.3
59.01375	30.9
69.95242	48.4
80.45736	18.9
145.37813	20.7
170.33038	17.6
185.83702	17.7
190.00082	17.9
199.15646	17.3
210.16841	17.3
211.30774	19.3
233.97490	20.8
252.26878	17.5
284.03214	77.7
299.05588	100.0
301.15503	22.0
309.17087	18.8
380.07355	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01727	1.3
66.58251	0.9
69.12730	5.2
71.01390	17.6
72.99333	1.2
73.02951	2.2
76.28294	0.8
78.95535	0.8
83.01362	0.9
85.02956	6.4
87.00896	1.3
87.39648	0.9
89.02452	19.0
89.02958	1.7
89.83239	0.8
95.01425	1.1
99.04517	9.6
100.04878	2.8
100.31192	0.9
100.98884	0.8
101.02439	10.8
104.35851	0.8
113.02465	5.3
119.03514	7.2
119.05034	3.4
119.08695	0.9
121.02983	1.2
134.03741	9.8
135.04559	1.4
136.68794	1.0
140.07196	55.3
141.07542	1.9
143.03571	1.4
149.04550	1.0
153.05621	2.0
161.04533	1.5
163.04086	2.5
171.10286	1.4
179.05618	3.7
183.06633	0.9
183.10257	1.4
189.01732	4.4
197.04601	3.8
198.04929	6.8
199.09695	1.2
200.10213	1.7
201.01695	19.9
201.11366	5.7
302.12350	1.9
362.15366	1.3
363.13113	1.1
363.16760	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	362.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79114	14.8
58.29470	13.7
59.01385	100.0
69.40550	69.8
71.01378	36.6
75.32691	14.3
85.02955	94.9
89.02463	16.4
93.64543	16.5
96.96015	24.1
97.79806	13.7
101.02438	21.6
106.50684	16.7
107.05023	18.2
113.02493	18.3
135.08214	13.9
151.04077	14.0
161.05988	17.7
169.08752	16.5
199.50591	15.0
201.07848	13.9
257.11826	22.1
267.64999	14.5
275.16785	23.2
289.09109	28.8
319.15417	19.5
362.19089	62.1
363.14539	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52510	12.6
59.01393	63.8
71.01392	47.0
85.02964	31.0
89.02465	19.0
113.02441	42.6
121.55998	13.2
126.05651	12.1
133.02971	37.2
138.10349	11.0
149.24371	12.5
161.02458	100.0
212.44652	12.9
238.05151	22.6
320.31030	13.9
362.59915	52.0
363.18170	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	363.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65155	1.9
53.99641	2.0
54.97002	2.1
57.03450	2.5
59.01388	21.2
59.95279	2.4
63.10126	2.1
71.01390	9.6
76.25163	2.1
85.02953	24.8
89.02474	7.7
95.05033	2.4
97.02956	6.3
97.06680	2.4
99.00934	3.0
101.02448	5.1
111.00921	2.3
113.02477	7.5
119.03505	2.2
120.99674	5.6
122.03751	22.1
125.02486	2.5
135.04463	3.1
147.03123	2.7
150.03195	2.5
164.04803	23.5
165.05583	100.0
166.05865	4.0
172.63618	2.3
173.52408	2.1
179.03369	2.5
181.38316	2.1
183.06622	5.0
191.02034	6.2
258.12390	2.4
290.51016	2.1
319.11942	2.6
319.15521	3.2
321.15088	3.0
327.10822	5.5
363.14517	2.3
363.17120	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1299
Annotation	Harpagide
Peak:m/z	Relative Intensity
57.03454	2.9
59.01384	100.0
69.03457	6.4
69.56352	3.4
71.01389	53.3
72.99310	4.0
74.13030	1.3
81.03461	5.0
83.01387	1.9
83.05027	3.7
85.02959	24.2
87.00907	1.6
89.02451	54.1
93.03451	1.2
95.01390	5.2
95.05031	6.0
97.02951	35.7
99.00883	29.5
99.04510	2.3
101.02471	18.4
113.02467	33.4
119.03512	21.0
119.05063	2.0
121.02977	4.5
123.04529	4.7
125.01543	1.6
125.02460	31.8
137.06145	6.8
138.06760	1.5
139.04022	33.3
143.03516	2.9
149.04550	1.4
157.05067	20.8
161.04578	4.6
161.06033	2.6
165.05580	31.1
179.05652	12.4
179.07161	2.3
183.06627	45.4
184.07008	2.0
201.07712	28.4
202.07953	1.5
207.06696	2.4
263.51746	1.3
264.31271	1.6
295.23004	1.3
363.13010	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03451	1.0
58.00594	1.5
59.01384	100.0
60.01722	1.4
62.03876	0.6
66.54341	0.7
69.83263	1.5
69.83587	1.3
71.01387	48.4
72.01742	1.0
72.99316	1.4
73.02939	5.0
83.01392	3.6
85.02953	12.0
87.00895	2.5
89.02451	68.4
90.02764	1.1
95.01406	3.0
96.36778	0.7
98.21903	0.7
99.00881	1.0
101.02450	31.6
101.67881	0.6
102.02866	0.6
111.00954	0.7
111.08160	1.3
113.02460	21.7
114.02750	0.7
115.34002	0.7
119.03514	26.2
123.08184	0.7
131.02644	0.8
131.03485	3.8
135.08168	1.0
141.09227	1.8
143.03505	4.9
145.02998	1.5
149.04533	2.0
153.09241	1.7
161.04579	6.6
171.10284	11.1
179.05634	14.0
183.10251	4.2
201.11333	12.1
220.84265	0.7
276.15967	1.4
287.42288	0.6
345.15436	4.7
346.15680	1.4
354.67593	0.6
360.56940	0.7
363.16580	31.5
364.16907	2.4
371.96445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20414	1.1
55.01878	3.5
57.03453	2.5
59.01384	65.1
69.03402	1.3
69.38956	2.5
69.39367	3.2
71.01391	34.4
72.99317	7.0
73.02943	10.5
77.67723	1.2
83.01389	6.7
85.02959	16.7
86.00145	1.2
86.70935	1.1
87.00890	2.8
88.44914	1.3
89.02451	16.9
95.01409	2.3
99.00871	2.3
101.02452	27.2
101.40681	1.2
111.00893	1.3
113.02474	9.5
119.03492	7.8
130.88420	1.1
139.06163	1.2
141.16391	1.1
161.04584	2.7
162.86790	1.4
179.05641	1.4
183.10287	31.1
201.11353	3.6
240.76559	1.2
327.69696	1.3
333.15436	1.5
345.15561	31.1
346.16031	2.7
363.16620	100.0
364.16888	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23645	0.7
54.08453	0.7
55.00889	0.8
55.01878	1.5
56.13839	0.7
57.03445	1.9
57.77774	0.8
58.00599	1.5
59.01384	100.0
69.07914	3.2
69.08337	2.0
71.01388	49.6
72.99294	1.0
73.02941	3.1
83.01401	2.1
85.02964	10.0
87.00881	3.0
89.02454	64.0
90.02757	0.9
95.01413	2.6
98.22636	1.4
99.00876	1.6
100.91761	0.9
101.02452	30.2
102.02753	1.1
111.08153	2.0
113.02460	22.9
113.03262	1.3
114.02802	1.3
114.93249	1.0
115.89059	0.7
119.03519	28.1
125.02482	0.9
131.03528	2.8
135.08185	1.6
140.04306	0.7
141.09241	1.6
143.03499	4.8
143.07532	0.9
149.04547	1.9
153.09174	1.3
155.96353	0.8
161.04562	9.1
171.10284	14.5
179.05629	17.0
183.10266	1.4
201.11333	15.1
208.77754	0.9
320.38431	0.8
337.30743	0.8
363.16623	28.4
364.16919	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64619	0.4
59.01381	3.8
65.36060	0.5
67.56351	0.5
69.20850	1.2
69.21233	0.8
71.01378	1.6
71.05027	2.4
71.54139	0.3
72.99344	0.4
83.05018	1.4
83.07065	0.4
85.02951	1.2
89.02414	0.5
91.88279	0.4
93.03459	1.0
97.06607	4.5
100.01721	0.4
101.02428	0.7
105.01935	1.0
111.04532	7.9
113.02433	1.4
123.08157	2.8
131.79605	0.4
133.75372	0.4
137.09721	1.1
139.11311	46.1
140.11632	2.3
157.12357	1.8
173.06117	1.0
183.10197	0.4
187.07639	0.5
201.11342	100.0
202.11690	5.6
215.12854	3.1
216.13255	0.4
243.12422	2.9
247.06261	0.9
261.15054	0.5
363.16696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1817
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
50.63250	1.3
50.88416	1.3
55.01888	1.7
57.03448	2.5
59.01390	16.5
69.03460	6.3
71.01387	5.0
71.05016	3.5
72.75471	1.4
73.02966	1.9
74.26125	1.4
74.74229	1.3
79.95747	5.1
81.03455	3.4
83.05032	35.5
84.73845	1.4
85.02950	3.6
85.06584	2.3
93.03459	3.3
95.05038	1.9
97.02969	2.2
97.06596	5.3
98.21864	2.5
98.51604	1.7
99.00893	5.1
105.07079	1.7
109.02950	3.4
109.52057	1.4
111.04545	14.8
111.08179	3.3
112.08524	1.5
113.02452	2.8
121.06580	3.6
121.50395	1.4
123.08162	5.5
125.09750	9.1
127.04006	14.2
133.06624	2.2
135.04539	1.7
135.08188	4.3
137.09660	2.4
139.07671	2.2
143.10483	1.4
146.09749	1.3
149.06091	2.0
149.09738	4.0
151.07681	4.0
163.07715	1.9
165.09161	2.0
179.07176	2.1
179.10822	5.2
181.12489	1.8
181.36444	1.4
181.73370	1.6
185.09630	1.5
189.12878	4.2
193.08707	2.1
193.12386	14.5
195.10323	5.9
201.12996	1.6
203.10918	1.8
208.14662	1.5
213.12643	1.5
215.10947	2.3
219.13943	2.1
220.11197	2.2
223.13448	3.2
225.12672	1.9
227.10945	1.6
227.14426	12.6
229.12296	1.9
233.11755	2.0
235.13351	12.6
239.14424	1.8
243.13976	2.5
245.15483	15.3
246.15915	1.7
247.13437	5.3
248.14120	2.0
249.14949	12.5
257.15582	7.6
259.17038	3.2
260.14206	3.5
261.15018	4.1
263.16501	15.8
267.13895	3.7
268.03748	13.4
268.14798	3.3
271.13461	1.9
273.18674	4.1
275.16556	6.8
275.20090	3.8
283.06146	6.6
283.17062	8.0
284.14215	2.4
285.14926	7.0
286.15726	4.0
289.18127	1.5
290.15399	2.2
295.15714	1.5
299.16672	2.3
301.18076	91.5
302.18411	9.9
303.15958	2.4
304.16757	5.1
319.19067	25.2
320.19598	1.9
327.16312	2.3
345.17059	34.5
346.17505	5.4
363.01895	4.7
363.18164	100.0
364.18423	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	363.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84151	0.4
55.01875	2.0
57.03436	1.0
59.01382	6.0
60.30966	0.5
60.63438	0.5
65.03958	0.9
69.03460	1.1
69.59476	1.1
69.59860	1.3
71.01386	3.0
71.05021	0.9
73.02937	0.8
81.03461	4.1
83.05033	24.7
84.05390	0.6
85.02953	3.4
89.02421	0.5
93.03467	10.8
97.02965	2.1
97.06603	1.7
97.94988	0.5
98.22715	0.5
101.02398	0.6
111.04529	100.0
112.04877	3.5
113.02479	0.6
121.02980	0.7
123.08167	1.1
127.64058	0.5
139.11311	12.3
155.10764	0.9
157.12343	0.7
162.66783	0.5
166.06241	0.8
185.11826	1.6
201.11345	29.5
202.11630	1.3
215.12933	0.5
225.11469	1.2
235.13452	2.5
241.41229	0.5
244.62453	0.5
245.11914	0.6
246.12814	1.1
247.13368	3.7
251.12978	0.9
259.13394	1.0
261.14963	5.1
286.12161	0.9
301.14456	0.8
316.13309	0.8
327.16089	2.2
330.14758	0.7
332.93320	0.5
345.17072	9.1
346.06824	0.6
346.17276	1.2
354.18427	0.5
363.18109	3.4
364.18555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
65.03954	0.7
69.05415	0.4
69.37659	2.7
71.01376	0.8
81.03471	2.6
83.05032	23.3
84.49311	0.5
85.02958	2.2
93.03468	11.4
95.05090	0.5
97.02957	0.8
97.06613	0.5
98.21853	0.9
101.29189	0.5
105.60417	0.5
111.04528	100.0
112.04881	3.3
135.42674	0.5
142.18581	0.5
147.04536	0.6
149.06119	0.7
200.23506	0.5
209.08270	0.5
235.13420	2.3
246.12506	1.0
247.13373	3.7
248.73181	0.5
251.12892	1.4
259.13440	1.1
261.14929	5.8
262.15433	0.5
301.14767	0.8
316.13071	0.7
319.15558	0.8
325.44724	0.5
327.15988	2.1
330.14557	0.9
345.17111	6.8
346.17719	1.0
363.18173	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	363.1817
Annotation	Rosthorin A
Peak:m/z	Relative Intensity
51.45871	0.5
55.01876	2.0
65.03957	0.9
69.13405	2.9
71.01378	0.7
81.03470	3.3
83.05035	23.9
84.05367	0.8
85.02954	2.8
93.03466	9.3
97.02912	0.5
103.96056	0.6
111.04533	100.0
111.19056	0.6
112.04877	3.4
114.77027	0.5
135.08261	0.6
205.10106	0.5
207.13908	0.5
214.78244	0.5
217.08633	0.6
231.10385	0.5
232.11052	0.6
235.13432	1.9
246.12550	0.8
247.13373	3.4
259.13431	1.1
259.51587	0.5
261.14972	5.4
262.15393	0.8
272.10684	0.9
286.12109	1.1
288.13394	0.6
315.16138	0.6
316.13260	0.8
327.16040	1.4
328.32510	0.6
330.14697	0.8
345.17075	8.0
346.17270	1.0
363.18314	3.6
389.33115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1818
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
55.01871	6.1
57.03457	19.0
57.75110	1.7
59.01375	9.6
62.79493	1.8
69.03464	22.5
71.01370	6.1
71.05029	3.5
71.91578	1.8
73.02937	4.4
75.00909	2.3
81.03454	4.0
83.01394	91.7
83.05032	12.3
84.01724	3.3
85.02934	9.3
85.06609	3.3
91.44540	1.7
93.03498	3.0
95.05031	9.1
97.06599	23.1
99.00899	2.1
101.02451	68.9
102.02804	3.1
108.50711	1.6
109.06573	4.5
111.04528	70.3
113.02454	27.3
119.05038	4.5
120.49181	1.8
121.06544	2.0
122.03741	5.7
122.73778	1.7
123.04491	3.7
123.08146	4.1
125.06081	6.5
125.09696	1.8
136.05302	2.2
137.06081	1.8
137.09758	1.9
145.02951	4.4
147.08160	3.0
149.09732	3.7
150.06857	3.3
151.07639	24.7
151.11298	2.8
163.04015	7.4
163.07680	3.0
164.08453	2.9
165.09245	14.2
176.08414	2.1
177.09270	3.9
191.10809	3.4
193.05014	2.1
193.08762	3.6
201.12878	1.9
203.10803	11.7
203.14392	2.0
207.13899	7.6
208.14313	2.3
215.10757	5.9
217.10728	11.4
218.09457	3.0
219.10255	21.8
220.11061	11.1
221.11818	14.2
231.10271	2.5
231.13911	23.5
232.11128	2.6
232.14142	1.8
233.11923	9.1
234.12643	18.5
235.13290	7.2
242.09473	3.2
245.15469	3.0
246.12703	7.5
247.13400	6.7
248.14160	5.9
249.14987	61.5
250.15282	3.1
251.12888	5.6
257.11810	21.9
257.15500	2.2
258.12244	2.4
259.13559	2.6
260.10394	2.2
261.14969	33.5
262.15277	2.2
263.16489	3.4
271.13348	4.5
272.14258	4.4
275.20074	5.7
279.15924	3.0
283.17108	11.5
285.14923	3.4
286.15741	3.7
289.14429	6.2
290.14841	2.4
301.18103	89.3
301.21561	4.5
302.18408	9.8
316.13190	13.0
319.15686	3.3
319.19119	8.4
330.14734	3.6
345.17078	53.6
346.17413	5.2
363.18115	100.0
364.18546	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	363.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.9
57.03452	0.7
59.01366	1.6
65.30346	0.6
67.01897	1.9
70.73942	0.7
71.01376	1.0
71.05006	0.9
71.65685	0.5
71.91020	0.6
73.02952	100.0
74.03284	1.4
83.05031	3.3
95.05045	4.1
96.96000	0.7
97.06596	28.0
98.06930	1.1
104.17431	0.7
111.04562	0.6
121.06609	1.1
123.04564	1.2
123.08175	1.6
127.04028	0.7
137.14676	0.5
139.04027	3.5
145.06575	1.1
147.08208	1.1
149.06097	4.0
150.06796	0.6
151.07652	2.9
163.07675	1.5
165.09215	5.4
173.06078	6.0
191.07138	9.7
192.07590	0.9
201.05646	0.9
243.13980	0.8
245.15511	1.2
256.11063	5.7
263.07135	0.6
271.13403	26.0
272.13721	2.2
274.12088	4.5
283.17023	2.7
286.15717	2.0
289.14493	35.6
290.14774	3.4
291.67743	0.6
301.18124	7.7
302.18207	0.7
319.19110	1.1
345.17114	1.0
363.18152	28.7
364.18430	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	363.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.09592	1.3
61.98831	2.1
63.32091	1.2
67.01888	1.5
70.48546	2.3
73.02951	3.1
81.03451	4.5
81.27991	1.5
84.14370	1.5
85.02957	1.4
85.06603	8.0
95.05035	14.7
96.02190	2.3
97.06596	8.1
109.06556	3.3
110.55697	1.2
111.00924	1.6
111.08202	6.8
116.08816	1.4
121.06591	5.2
122.03767	1.7
123.04516	5.5
123.08208	1.6
125.06107	2.8
139.04028	2.5
139.07660	100.0
140.08002	3.9
147.98784	1.3
151.07620	7.0
151.36327	1.3
165.09219	8.4
179.07133	12.6
180.07433	1.6
181.08685	2.1
191.07092	2.0
193.12364	6.7
205.08646	1.7
206.48421	1.5
223.13510	2.5
229.08737	1.8
261.05856	6.6
271.13736	2.8
274.12164	3.3
289.14417	13.4
301.14569	9.6
302.14688	1.6
327.16046	23.2
328.16187	2.4
345.17142	14.2
363.16306	16.7
364.17801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58002	0.7
55.01881	2.1
57.03450	0.9
57.27882	0.8
59.01386	2.7
65.03959	3.2
67.01881	1.3
69.03453	1.3
71.01424	1.2
71.39392	1.1
73.02958	4.5
75.95116	0.8
81.03480	4.2
83.01383	1.5
83.05035	100.0
84.05374	3.0
93.03448	1.4
95.05016	0.8
97.02970	1.4
97.06588	1.4
99.04504	1.6
101.48692	0.9
104.56302	0.8
109.02970	2.5
110.00125	1.1
111.00877	1.4
111.04537	2.0
121.02993	1.3
122.00112	1.1
123.00903	6.6
127.00400	1.2
127.04027	58.1
128.04372	1.9
134.22211	1.0
136.98775	1.3
137.02469	9.1
137.09779	1.3
138.03192	2.7
139.00418	1.9
141.01949	2.8
153.05608	1.5
153.09248	0.9
155.03450	1.8
157.92448	0.9
159.06554	0.8
166.99890	1.1
171.10350	4.5
181.01366	2.2
182.02245	6.5
183.02902	1.9
183.10275	1.1
191.61696	0.8
196.03824	2.1
197.04526	3.7
205.08701	3.8
217.12347	2.0
220.11026	7.0
235.13414	18.8
301.18192	1.6
319.19119	1.8
327.21906	3.2
363.14386	9.7
363.18164	21.1
364.18390	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	363.2179
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
57.03452	8.5
59.01379	11.5
61.98835	0.9
65.03964	1.2
67.01900	1.1
69.03464	47.3
70.03809	0.9
71.01386	0.8
71.04991	0.8
73.02938	1.3
81.03479	2.8
83.05027	8.2
85.02923	1.2
85.06641	0.8
93.03439	0.8
97.19530	0.8
111.04541	5.1
127.04030	0.9
135.08206	0.8
139.07642	0.9
171.11800	4.0
176.04771	0.9
187.11313	5.8
189.12866	25.3
190.13243	1.1
205.15956	9.9
206.16402	1.6
215.14568	1.1
231.17526	3.5
243.14018	1.4
243.17584	1.8
247.13452	1.1
249.14955	2.2
253.16089	1.7
271.17062	3.0
285.14731	0.8
287.20203	13.5
288.20529	1.3
303.16071	2.4
303.19522	0.8
321.17487	0.8
363.21808	100.0
364.22147	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	363.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24587	48.7
52.89669	47.5
57.46310	45.7
61.98850	63.5
65.56421	46.7
69.81770	81.5
69.82139	100.0
80.97782	53.1
98.21954	96.5
107.50644	49.9
126.09389	51.0
151.40508	54.6
175.07919	52.6
316.82050	57.0
388.17572	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31261	1.0
59.01387	11.7
61.98818	4.9
71.01389	6.3
72.01725	1.2
72.04516	1.1
76.59364	1.0
82.02963	2.6
85.02941	6.8
87.28187	1.0
89.02442	5.5
96.00909	3.7
97.02947	2.5
98.02481	6.2
98.22744	1.6
99.00851	2.1
99.92570	5.6
100.04099	1.0
100.90468	1.2
100.93375	48.7
101.02436	2.6
101.93384	3.6
113.02440	3.8
115.92090	100.0
116.92091	5.1
116.92876	3.9
119.03513	2.7
119.05001	1.6
125.02460	2.4
127.04061	1.8
128.04372	1.6
137.06114	1.2
139.04044	1.4
140.04398	1.8
157.05086	2.1
165.05544	2.0
167.03458	1.3
179.60582	1.2
183.06641	3.7
184.06932	3.3
185.77228	1.1
187.51576	1.0
190.08774	1.5
201.07718	2.4
202.07961	3.0
244.10005	1.2
264.08755	3.9
291.99341	2.0
334.00345	9.2
363.97534	2.2
364.05890	3.4
364.13324	1.7
365.02972	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	364.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.87607	0.4
57.03432	0.7
59.01376	1.5
70.18488	1.1
71.01382	2.7
73.02962	1.1
75.00876	0.6
85.02953	3.9
86.03287	0.5
87.00861	1.1
95.01367	0.5
101.02450	1.1
109.02966	0.7
112.14693	0.4
113.02464	0.8
116.05058	0.6
120.99638	0.4
128.05077	41.9
129.05466	1.7
130.06639	32.2
131.06992	2.1
132.04573	2.0
133.06598	0.5
144.04593	2.3
146.06120	1.4
149.06094	0.7
156.04552	1.7
157.05336	4.7
158.06123	100.0
159.06477	5.6
161.04767	0.9
172.04102	3.2
174.05602	0.7
187.07628	0.5
191.01950	0.5
202.05109	17.6
203.05389	1.0
211.07681	0.9
214.06425	1.1
229.08690	2.6
269.11853	3.1
285.09570	1.7
300.36395	0.4
303.10593	0.5
321.17032	0.5
364.10455	4.8
365.10861	1.2
365.16028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42670	1.7
55.01867	2.7
57.03428	2.0
58.00582	2.0
58.38886	1.7
59.01384	100.0
60.01717	13.8
60.07061	1.7
61.98828	5.6
69.03457	2.7
69.17457	7.2
69.17878	4.7
71.01382	51.9
72.01736	11.3
72.99298	2.7
73.02947	3.9
74.03226	2.3
81.03452	6.3
82.03762	2.5
83.01392	8.3
83.05035	1.9
84.01719	2.7
85.02959	30.4
86.03306	10.0
89.02446	57.0
89.38486	2.1
90.02779	12.2
91.02885	2.1
93.03454	2.0
95.01382	2.9
97.02940	12.6
98.03298	4.2
99.00890	5.8
99.04493	5.1
100.04842	2.1
101.02441	23.4
102.02788	7.3
109.02958	4.4
110.03326	2.5
111.04516	6.1
112.04855	2.8
113.02444	14.7
114.02766	4.3
119.03513	19.6
120.03851	4.4
121.02969	2.7
123.04526	1.9
124.80065	1.8
125.02465	2.9
127.04015	57.1
128.04355	37.0
137.06087	8.1
138.06442	6.6
139.04001	15.1
139.07701	2.3
140.04337	10.9
157.05087	2.3
161.04524	3.0
162.04814	2.3
165.05615	10.9
166.05910	14.8
167.03505	1.8
179.05630	6.4
180.05940	5.9
183.06639	48.2
184.06973	68.7
191.05614	2.5
201.02539	2.4
201.07632	3.7
202.08076	6.2
341.76477	1.8
364.13342	27.7
365.13535	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	364.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
56.23274	0.6
57.03456	13.1
58.03783	2.8
59.01386	17.4
60.01719	1.9
67.32806	0.7
69.43514	3.1
71.01389	7.6
72.01710	1.4
72.99324	1.8
73.02949	1.3
75.00882	3.2
83.01400	2.4
84.02160	1.9
85.02960	100.0
86.03297	28.7
87.00889	1.8
87.03437	0.9
89.02444	3.5
97.06604	0.8
101.02458	2.4
101.06104	1.6
102.94638	0.6
103.00379	2.0
111.00904	4.2
112.01246	1.9
113.02501	1.4
125.09755	3.9
129.01952	8.4
130.02245	3.4
135.04503	1.0
147.03027	8.6
148.03349	3.6
153.47018	0.7
167.35501	0.7
170.96715	0.7
171.10291	2.2
172.10561	3.2
173.00957	1.5
187.09813	6.2
191.01991	31.4
192.02333	14.5
193.02516	2.0
200.10159	2.3
201.10414	1.1
202.10590	1.0
231.10300	3.8
240.13298	0.7
253.72569	0.7
258.13235	0.9
303.82214	0.6
346.11920	1.0
364.13156	6.0
364.17154	2.4
365.14014	1.0
365.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07019	4.6
51.31508	4.3
52.61192	4.4
59.01383	59.6
60.05848	4.8
60.30939	4.7
66.55918	4.6
69.33491	10.6
69.33894	17.0
71.01383	19.8
80.13903	6.1
85.02948	28.3
86.99696	5.0
89.02448	28.1
100.96225	5.4
101.02439	16.3
108.02187	4.9
113.02464	8.2
115.12668	4.2
119.03532	8.4
122.51996	4.2
123.04533	7.8
124.90358	5.1
133.02954	10.5
143.07149	6.1
154.37268	5.0
167.03477	48.6
209.04579	17.1
251.90816	5.0
288.03650	5.2
329.08829	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	365.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56779	1.8
57.03453	14.2
59.01384	23.3
69.10595	11.3
71.01379	8.6
71.34682	1.6
72.99302	2.1
73.02946	2.8
79.32887	1.7
83.01370	3.5
84.02203	2.3
85.02956	100.0
86.03307	2.0
87.00884	2.0
89.02451	2.1
95.05016	2.5
98.95592	1.6
100.93382	5.0
101.02444	3.8
104.89512	2.0
105.03487	4.9
109.06444	1.7
111.00870	3.9
111.08173	3.9
113.02436	2.1
115.92101	7.5
116.92902	2.0
123.04537	4.8
129.01968	10.2
133.02972	29.4
135.04492	3.3
143.07175	2.1
147.03040	12.6
149.02475	2.0
161.04521	2.9
161.48775	1.9
163.56927	1.6
167.03510	6.5
173.01025	2.1
173.08171	4.7
177.01939	15.1
191.00259	2.3
191.01984	33.8
203.09288	4.6
209.04659	4.4
278.25818	1.7
285.50992	1.9
296.39786	1.8
365.11176	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	365.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59881	1.9
59.01382	11.0
68.28952	1.9
71.01373	7.4
72.97529	4.3
73.98350	4.8
76.65649	1.9
85.02969	4.4
96.95983	2.2
103.60954	2.1
107.05048	14.8
109.02962	21.2
111.00863	3.4
113.02483	1.9
121.02973	3.4
121.06621	2.3
129.03838	15.0
131.05028	2.7
133.06599	4.9
147.08247	2.8
149.06104	9.0
158.49077	2.0
175.07680	5.8
183.08173	7.9
185.02846	4.8
187.07661	2.5
197.06114	6.4
201.09215	2.6
207.11769	2.6
211.07657	23.4
212.53764	2.0
213.03839	2.5
214.04433	3.9
214.06361	37.1
215.06947	4.0
223.11220	2.0
229.08702	88.1
230.04062	8.4
230.09122	6.9
251.10757	19.2
267.08444	8.0
269.11844	100.0
270.12195	7.7
285.09573	80.7
286.09909	7.6
303.10623	46.9
304.10922	6.7
321.11612	8.9
321.17212	2.8
365.11618	2.7
365.15964	9.0
365.19949	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03180	0.7
57.03452	12.7
59.01381	13.3
68.99837	0.9
71.01382	5.2
71.39141	0.7
71.70876	0.5
72.45839	0.6
72.99306	1.5
73.02953	1.7
75.00876	2.9
76.24258	0.5
83.01392	2.9
84.02177	1.1
85.02954	100.0
86.03268	2.7
87.00900	1.5
89.02463	1.7
99.00896	0.9
101.02457	1.7
103.00397	1.6
111.00883	4.6
111.08181	4.5
115.00410	0.9
123.04398	0.6
125.29376	0.6
129.01952	8.9
133.01463	0.7
147.03003	10.2
167.03552	1.1
173.00880	2.1
173.08189	2.2
191.01987	33.4
192.02386	1.2
203.03546	0.7
209.03043	1.5
345.61444	0.7
347.09570	0.7
365.10883	4.4
365.18097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
64.03987	0.8
70.11022	0.8
71.01389	46.8
72.01732	1.2
72.99314	0.8
81.07102	1.4
82.64552	1.0
83.05043	3.7
85.02975	1.6
93.03516	1.3
98.03761	1.5
99.04521	12.9
111.04525	12.4
112.04867	2.8
115.00385	14.8
133.01453	3.7
133.06638	1.0
149.06068	1.4
150.06877	2.9
161.13374	6.5
164.33365	0.9
187.11241	2.0
205.12346	21.1
231.10295	1.3
249.11334	100.0
250.11693	7.2
285.03842	1.3
347.18228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37542	0.6
55.01876	2.0
57.03455	12.9
59.01386	7.8
67.01903	0.6
68.99826	0.6
69.15474	3.4
71.01391	3.2
72.99314	0.9
73.02930	0.7
75.00885	1.7
83.01399	1.7
84.02180	1.5
85.02958	100.0
85.19791	0.5
86.03279	2.2
87.00897	1.6
99.00905	0.6
101.02460	0.9
103.00370	1.4
105.87945	0.5
111.00902	4.8
115.00411	0.7
129.01959	9.6
147.03015	10.3
156.71060	0.6
173.00974	1.7
173.11856	3.5
181.52861	0.6
191.02007	29.6
192.02339	1.6
209.03062	1.7
321.56198	0.6
365.14395	1.7
365.18314	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03176	0.7
57.03452	12.5
59.01381	11.2
59.33578	0.3
59.72641	0.4
65.26352	0.5
69.04615	2.9
71.01389	3.8
72.99309	1.9
73.02960	0.6
74.05315	0.4
75.00871	3.6
81.03491	0.4
83.01392	2.8
84.02177	1.8
85.02957	100.0
86.03288	2.2
87.00909	2.0
89.02437	0.6
97.06636	0.8
99.00897	1.4
101.02442	1.1
103.00343	1.9
111.00894	4.7
115.00407	0.7
123.08221	0.6
125.09737	6.3
127.11322	0.4
129.01118	0.4
129.01955	10.6
133.01486	0.6
145.23376	0.4
147.01839	0.6
147.03014	10.9
159.02950	0.4
173.00925	1.7
173.11830	3.5
177.04042	1.3
187.09749	9.2
191.01985	32.6
192.02374	1.2
195.05157	0.5
197.21313	0.4
203.07214	0.4
209.03062	2.4
240.02907	0.4
299.73734	0.5
319.56918	0.4
338.92093	0.4
347.13321	0.8
365.14554	6.4
365.18329	1.2
366.14954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03453	3.0
58.00597	1.4
59.01384	100.0
60.01711	1.5
61.98832	1.0
69.03463	2.1
71.01389	63.8
71.38628	0.9
72.01744	1.1
72.99338	1.8
73.02969	2.8
81.03502	0.9
83.01397	2.9
83.05042	3.8
85.02959	22.1
87.00880	3.1
89.02451	69.8
90.02792	1.8
95.01397	3.7
95.05044	1.5
96.02201	1.7
97.02975	7.2
98.03310	1.4
101.02453	33.9
109.06639	0.9
111.04534	25.8
113.02460	23.0
113.25664	0.9
119.03506	31.8
123.04542	1.1
125.02475	1.2
125.16357	0.8
129.05632	1.1
131.03526	3.7
133.02969	4.2
135.21512	0.9
137.06070	10.2
141.05614	7.8
143.03526	4.4
149.04552	2.6
149.06050	0.9
150.05637	0.9
155.07130	1.9
159.06693	1.8
161.04553	5.7
167.03539	2.0
167.07166	3.3
177.01990	1.2
179.05643	17.6
184.84367	1.0
185.08270	5.2
191.02023	1.5
203.09474	4.4
332.62582	1.0
347.13574	1.1
365.14389	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39166	0.9
55.01866	3.4
57.03443	2.6
59.01385	100.0
60.01711	1.2
61.62879	0.8
71.01385	15.0
71.40055	0.9
71.41080	0.8
71.44101	0.8
73.02948	3.7
75.00851	1.6
83.01387	3.1
83.05032	2.8
85.02937	4.9
85.79303	0.9
87.00899	1.4
89.01948	1.5
89.02459	22.3
90.54456	0.9
93.03461	1.6
95.01396	1.7
95.05049	1.8
97.02915	1.3
97.06607	1.8
99.00887	1.6
101.02452	8.8
107.05042	2.6
109.02940	1.1
109.06615	1.0
111.00883	11.2
111.04527	12.5
112.04898	1.1
113.02444	6.7
115.00395	1.6
119.03520	9.2
123.04535	4.1
125.06042	1.3
127.03987	1.1
131.03499	1.1
135.04549	1.8
139.00380	8.1
139.07587	1.0
141.01981	2.6
143.03448	1.4
149.05963	1.1
151.03973	1.9
151.07637	1.8
152.08414	1.2
153.05588	5.5
153.09201	2.7
156.00642	3.5
164.07224	1.0
167.31129	1.0
177.30344	0.9
179.05675	4.4
186.12300	0.9
195.06627	24.9
196.06880	0.9
203.12898	1.0
247.78386	1.0
249.11449	1.4
249.14854	1.2
263.16660	1.4
301.04376	0.9
319.15445	2.7
335.18762	1.1
347.14923	6.4
347.18607	1.6
353.88171	1.0
365.15704	14.9
366.16180	2.4
378.47122	1.2
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
51.99665	0.4
57.03465	0.4
59.01382	100.0
60.01716	1.6
70.64922	0.9
71.01389	8.0
73.02955	0.7
83.05042	0.7
83.48223	0.5
85.02981	1.7
89.02458	13.7
98.21909	0.5
101.02444	4.5
111.04540	0.8
113.02474	3.0
119.03504	4.7
127.58734	0.4
131.03549	0.7
143.03522	0.8
144.63495	0.4
151.45555	0.5
161.04590	0.9
179.05663	2.5
179.07030	0.4
303.19717	1.2
335.72305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87673	2.8
59.01382	7.0
61.98845	6.3
69.79079	7.5
69.79437	6.8
76.55795	3.2
79.43888	3.9
85.41342	3.4
95.05029	9.8
97.06575	3.6
121.06623	5.3
127.07657	15.4
139.07671	100.0
151.07602	3.7
181.08653	6.1
207.65887	4.6
263.05695	4.2
273.64581	3.5
275.67892	3.5
291.16098	7.5
291.19543	3.3
303.15955	6.8
365.16086	5.3
365.20032	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	365.1972
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
50.18489	0.6
53.94653	0.6
57.03437	0.9
57.25835	0.6
59.01383	12.3
64.53423	0.7
67.01881	2.9
69.52888	2.4
71.01389	8.1
71.05020	2.6
71.99545	0.7
73.02946	2.4
83.05030	2.6
85.02953	6.7
85.06602	1.5
87.04523	2.3
93.03477	0.8
95.05038	9.9
97.02929	1.5
98.21916	1.0
109.06627	0.9
111.04546	0.8
113.94797	0.6
122.03732	0.8
123.04482	0.7
123.08149	1.2
125.55767	0.7
127.07675	2.3
136.05298	2.2
137.09752	1.7
139.04033	1.4
139.07652	1.2
139.11342	1.0
141.09241	5.9
149.09735	1.8
151.07661	8.0
151.11317	8.6
153.12813	1.6
165.09247	0.8
167.10780	4.0
205.08635	1.2
207.13953	1.5
217.12271	1.3
217.16013	0.6
219.13802	0.8
223.09787	11.7
225.14943	1.2
231.13925	1.3
232.11053	1.3
234.12646	1.1
245.15279	0.8
246.12634	1.1
249.15051	3.4
257.15588	3.0
261.14966	4.6
274.15698	0.8
275.16336	0.9
308.21365	0.7
365.19696	100.0
366.20059	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	365.1973
Annotation	20-COOH-Leukotriene B4
Peak:m/z	Relative Intensity
57.03445	0.8
59.01383	44.5
67.01893	11.3
71.01386	29.3
71.01786	1.3
71.05027	6.3
73.02964	3.5
75.46780	0.8
83.05058	0.9
85.02950	2.4
85.71427	0.7
87.04531	2.3
93.03481	2.3
95.05043	23.4
96.05372	0.8
122.03729	2.6
135.95174	0.8
136.05315	3.5
141.09227	11.2
145.07773	0.8
149.06061	1.3
151.07657	17.3
152.07967	1.1
161.09731	0.7
183.25481	0.8
191.07085	1.4
197.04486	1.2
197.11821	1.1
202.83319	0.8
205.08685	3.4
207.13866	0.9
217.12390	1.8
217.15977	2.2
223.09772	100.0
224.10107	6.2
231.13910	1.0
232.11078	6.7
234.12386	1.1
245.15465	0.9
249.14992	2.4
255.22499	0.8
261.14954	2.8
266.15152	1.6
274.15759	0.9
274.89218	1.0
275.16519	12.1
276.16855	1.4
285.04123	1.3
303.19717	1.7
329.17459	0.8
347.18689	7.9
348.18970	1.5
365.15970	1.9
365.19730	20.9
366.20071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1973
Annotation	Hymenoratin B
Peak:m/z	Relative Intensity
51.82252	0.5
57.03433	1.0
59.01364	1.5
62.72118	0.5
65.03964	0.6
66.61636	0.5
67.01871	0.8
69.57948	1.1
69.58337	1.2
71.01388	5.2
73.02959	4.2
74.99184	0.4
78.95909	3.2
81.03458	0.9
82.46535	0.4
83.05030	100.0
84.05377	3.1
85.02959	1.4
85.44324	0.5
96.96039	0.6
96.96973	0.7
97.06596	4.0
99.00883	2.1
109.02969	0.5
109.06604	0.9
111.00913	0.9
111.68890	0.6
115.00321	1.2
116.83047	0.5
118.98071	0.5
121.06618	0.8
122.06096	0.7
123.08173	1.4
123.40302	0.6
125.09744	2.8
127.04022	16.3
128.04370	0.7
139.07666	6.7
145.94991	0.5
149.09660	0.6
151.11288	4.2
152.99602	6.3
163.11298	1.7
179.10773	9.0
249.11082	2.5
365.19720	26.6
366.19965	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	365.1973
Annotation	20-COOH-Leukotriene B4
Peak:m/z	Relative Intensity
57.78945	2.5
58.19856	3.1
59.01385	17.3
59.01625	2.8
65.03963	28.6
69.03464	42.5
80.72852	3.0
81.03465	11.8
83.05035	75.4
95.05013	4.3
109.06625	3.1
110.03768	4.8
113.02457	23.2
113.59206	3.3
120.90304	3.2
123.08211	8.2
123.19934	3.0
127.04028	21.1
151.07678	40.2
151.11325	3.1
193.08543	4.1
201.02576	6.9
203.14349	10.1
221.15552	5.9
223.09734	3.7
229.75189	3.5
232.14601	5.1
235.16986	3.7
241.15945	2.9
244.14619	9.8
245.15358	6.3
247.17062	88.2
248.17378	5.6
259.17038	8.3
273.14944	3.4
274.15674	8.8
285.18658	29.8
288.17334	5.9
291.19565	8.0
303.19690	100.0
304.19888	8.0
321.17072	4.4
347.18649	39.2
348.18918	5.1
365.19519	42.4
366.19907	5.1
382.20294	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	365.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96326	2.7
59.01382	16.6
61.98825	3.5
71.01403	3.0
71.45525	3.7
73.02962	3.3
118.91482	3.4
171.10312	9.3
195.13911	10.8
223.09740	4.8
223.13380	8.3
226.38657	2.8
273.60217	3.0
275.20187	20.1
293.17868	7.0
293.21240	100.0
294.21658	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	365.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28654	76.0
61.88275	75.8
71.17136	100.0
118.72272	82.2
129.72514	76.9
148.86176	86.8
149.72874	75.9
206.55193	69.1
340.03461	85.4
347.25623	86.0
365.26965	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	365.2699
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
54.79181	0.4
62.03408	0.4
70.72861	0.6
83.91273	0.5
86.14181	0.4
88.42337	0.4
93.50599	0.4
112.64908	0.4
137.06117	1.1
154.53056	0.4
165.09248	1.3
179.10840	1.3
259.20715	0.6
293.17569	0.5
303.26929	1.8
311.65933	0.4
321.28015	0.6
329.24719	1.1
347.25912	100.0
348.26239	13.5
365.26962	26.2
366.27267	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	365.2699
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.36436	0.4
66.08902	0.4
69.14954	1.8
69.15357	1.0
76.08321	0.4
90.20664	0.4
98.89612	0.4
137.06155	0.7
165.09276	1.0
178.99693	0.5
179.10875	1.0
183.13968	0.4
199.13393	1.1
218.02057	0.5
236.78333	0.4
259.20685	1.2
275.16714	0.6
277.18149	0.7
279.19693	1.8
285.04153	0.7
303.27005	1.4
329.24695	0.8
347.25922	100.0
348.26288	14.4
365.26962	37.1
366.27380	5.7
389.75421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
61.87227	0.5
69.18053	1.0
69.18461	2.0
85.06607	2.9
98.21902	1.3
147.43834	0.6
165.12885	0.7
199.13368	2.4
219.17563	1.4
261.18704	0.6
279.19656	17.1
280.20065	1.7
347.25928	5.9
365.26974	100.0
366.27341	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	365.2696
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
53.90361	0.7
55.59845	0.8
55.69237	0.8
69.40198	4.1
98.22576	1.7
143.98778	1.0
153.70528	0.9
155.14311	0.9
163.11234	1.4
165.12872	2.8
175.06436	0.8
181.12291	1.1
199.13403	33.8
200.13829	2.6
219.17549	1.9
233.05875	1.1
263.89175	0.9
277.98514	0.9
347.26022	4.2
363.25586	1.2
365.26978	100.0
366.27313	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	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.80931	0.5
62.39551	0.6
64.07242	0.5
67.62549	0.4
70.90775	0.8
93.03502	0.6
137.06136	0.9
150.51544	0.5
151.75279	0.5
165.09277	1.5
179.10776	0.9
254.67946	0.5
261.14926	0.6
277.18253	0.7
303.26947	1.7
313.37085	0.5
329.25266	0.6
347.25925	100.0
348.26300	16.0
348.30624	0.6
365.26968	32.7
366.27271	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	365.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
67.37258	0.9
71.39664	0.9
73.83292	0.8
83.05025	0.8
87.95718	0.8
90.79623	0.7
95.82732	0.9
110.93907	0.9
136.07944	0.8
137.06056	1.0
142.83728	0.7
164.32538	1.1
165.09201	1.0
181.16212	0.9
245.55542	0.8
268.22491	0.8
279.19611	1.1
303.26816	1.9
329.24991	1.2
347.25925	100.0
348.26236	14.7
365.22647	1.6
365.26956	27.1
366.27066	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	365.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51772	1.7
70.90738	2.2
72.69472	1.7
88.69206	1.7
136.57527	2.3
199.13408	14.7
250.49637	1.9
251.91220	2.1
279.19751	8.2
285.04025	3.8
347.25974	35.6
348.26303	5.7
365.26978	100.0
366.27338	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	366.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03433	3.7
59.01385	62.5
60.01733	1.2
67.01901	1.7
71.01385	18.1
72.99311	4.3
73.02953	25.4
75.00871	4.8
82.97114	1.1
83.01385	5.8
85.02953	24.4
85.99347	1.2
86.03278	6.8
87.00871	5.4
89.02446	10.4
93.03461	9.0
95.01379	1.6
99.00906	1.8
101.02456	20.2
111.04546	1.7
113.02444	5.5
116.05072	9.2
119.03529	2.9
128.05049	1.2
129.01907	1.1
130.06673	3.1
134.03741	3.2
142.06639	100.0
143.06995	5.4
144.04556	13.4
146.06126	2.9
147.02969	1.6
155.03497	1.4
158.06125	13.7
161.04582	4.0
162.05670	1.9
164.66920	1.3
173.04547	3.4
186.05627	48.5
187.05998	2.1
191.01959	5.6
191.05635	24.1
192.02327	2.2
193.05135	1.8
201.66402	1.1
204.04779	2.2
204.06673	31.2
205.06989	2.0
212.19177	1.1
235.11855	1.6
246.07661	1.7
366.11935	69.3
367.12442	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	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03450	10.8
59.01384	16.1
69.14045	4.3
69.14471	4.1
71.01389	3.5
71.75330	1.4
73.02958	2.0
83.01407	2.7
84.02180	1.9
85.02959	100.0
86.03309	2.0
101.02478	1.5
105.01936	2.5
111.00897	5.5
113.02486	1.3
119.05040	6.5
129.01945	8.0
132.02194	2.7
134.03755	7.5
145.02977	3.8
147.03000	23.8
160.01703	15.9
163.04047	5.8
173.00909	1.8
175.04024	20.1
191.02005	31.5
191.65858	1.2
193.05081	3.8
218.23274	1.3
219.34517	1.4
267.39786	1.2
315.56668	1.2
323.07715	3.1
347.16672	1.2
357.43301	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03457	12.8
59.01378	6.5
68.99828	1.0
69.73472	1.3
69.73795	1.8
71.01386	5.3
72.99316	2.4
75.00871	1.1
83.01396	2.4
84.02187	1.4
85.02958	100.0
86.03289	1.9
93.10969	0.9
94.76074	0.8
101.16152	0.6
103.00397	0.8
111.00893	3.4
117.03488	1.6
119.05002	1.4
121.20463	0.8
127.63087	0.7
127.93646	0.7
129.01956	13.0
132.02219	2.0
134.03755	16.4
135.04570	1.5
145.02936	1.9
147.03017	34.6
149.06061	1.8
160.01680	15.5
160.03014	1.0
161.02341	1.7
163.04016	2.1
173.00932	3.1
175.04012	18.1
176.04309	1.2
178.02740	0.8
191.01974	1.8
193.05092	10.8
201.70422	0.7
205.09923	0.8
217.08653	0.8
224.46167	0.7
261.07751	1.6
268.42487	0.9
293.88037	0.9
302.82440	0.7
323.07697	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	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86534	2.0
57.03452	24.0
59.01366	8.8
66.78249	2.5
67.08303	2.2
68.27592	2.4
71.01383	5.2
72.99314	8.8
73.02953	3.1
83.01392	22.5
84.01703	2.8
84.02162	4.8
85.02956	100.0
97.02985	2.8
111.00880	9.8
117.03465	3.4
117.26797	2.2
119.70058	2.2
123.04524	2.5
125.02436	4.4
129.01952	77.3
130.08737	7.0
132.02165	3.7
134.03748	73.7
135.04486	9.1
137.02458	3.0
147.02991	14.4
149.06085	12.0
154.14223	2.2
154.99884	16.3
160.01674	22.4
161.02443	8.0
162.03178	4.4
163.04047	3.7
172.81549	2.6
173.00919	49.8
173.06041	3.2
175.04021	34.8
178.02809	4.4
179.03482	3.1
189.05583	2.9
191.01987	11.2
193.05060	44.6
194.05363	2.3
200.04900	2.3
215.07187	5.7
218.05861	9.0
221.06578	4.5
233.08141	9.2
261.07672	23.1
339.49911	2.4
349.05331	4.6
368.17178	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03453	21.2
58.44983	1.1
59.01376	12.3
69.03466	1.2
69.31326	5.7
71.01386	2.5
72.99299	5.2
83.01400	9.8
84.02178	2.1
85.02955	100.0
86.03290	1.7
97.18664	0.9
101.02446	1.4
111.00885	2.7
113.14360	1.0
115.00426	1.4
117.03510	2.0
129.01952	45.3
130.02269	1.6
130.08710	1.8
132.02197	2.6
134.02744	1.5
134.03751	29.1
135.04465	1.2
137.02435	1.8
147.03008	38.0
149.06075	5.1
154.99883	6.3
160.01642	11.3
161.02463	1.7
172.96167	1.1
172.99437	2.0
173.00917	35.3
175.03967	12.8
176.04266	1.4
179.03552	1.5
193.05083	14.6
205.08401	1.2
208.55385	0.9
218.05833	1.0
233.08266	2.7
256.10260	1.2
261.07687	4.9
367.13699	1.3
367.21396	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	367.1036
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
55.01875	0.5
55.95752	0.6
57.03451	4.4
59.01385	12.4
61.30946	0.5
67.01876	0.5
68.99799	0.7
69.03464	0.5
69.16373	1.2
69.16786	1.8
71.01387	1.5
71.05032	0.5
72.99303	0.8
73.02940	1.1
83.01421	2.7
83.01881	0.5
84.02191	0.6
85.02959	31.1
87.00897	1.4
89.03981	0.9
93.03477	1.0
95.01377	1.3
97.02952	0.9
98.22672	0.7
99.00910	1.0
101.02441	1.4
103.04033	0.8
107.05046	1.7
108.55779	0.5
110.01327	0.5
111.00911	2.6
111.04545	0.6
113.02478	2.4
117.03452	3.0
123.00900	2.2
125.02486	0.6
127.04020	0.7
128.60588	0.4
129.01958	8.7
132.02194	1.4
133.02982	12.0
133.04012	0.6
134.03764	27.8
135.04546	100.0
136.04863	4.9
137.02486	1.2
139.00388	0.7
140.01144	0.7
141.02014	1.1
147.03062	2.4
149.06085	2.3
154.99910	1.0
160.01697	4.8
161.02463	24.1
162.02928	1.4
173.00964	4.6
173.04601	1.8
175.04001	8.0
176.04346	0.5
178.02750	2.0
178.92470	0.5
179.03516	55.9
180.03839	2.9
191.01994	6.8
191.03731	0.6
191.04045	0.6
191.05603	4.6
193.03316	0.9
193.05078	17.1
194.05318	0.6
200.78067	0.5
209.98146	0.5
233.08217	1.4
261.07623	2.4
286.63290	0.5
307.08194	2.1
367.10349	57.3
368.10748	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	367.1038
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
50.90416	0.6
51.75435	0.5
57.03450	1.0
58.93667	0.5
59.01379	1.6
60.99310	1.4
62.46874	0.5
67.01900	5.4
69.03468	1.5
69.53981	1.6
71.01390	2.9
81.03461	0.7
83.05051	0.9
85.02946	5.4
87.00885	6.2
93.03470	28.7
94.03802	1.3
99.00888	0.7
111.04522	3.9
113.02455	1.2
117.03449	1.4
127.04015	1.7
129.01958	0.9
134.03761	11.9
154.37398	0.5
155.03510	1.0
169.08716	0.9
173.04562	12.7
175.04060	0.6
191.05630	100.0
192.05971	4.0
193.05051	6.5
302.36960	0.6
367.10260	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	367.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
59.01384	97.9
66.91658	1.4
69.03470	2.2
69.69236	5.8
71.01389	30.3
72.99328	2.3
72.99833	1.3
73.02952	100.0
73.91550	1.3
74.03310	1.7
76.27620	1.6
83.01387	23.2
83.17302	1.5
85.02948	4.4
89.02462	7.4
101.02453	49.4
102.02776	1.8
113.02473	11.7
119.03469	1.6
120.05830	7.4
125.02470	2.0
131.03513	5.0
135.08177	81.6
136.08499	4.7
142.66278	1.4
143.03477	2.2
149.04549	1.9
161.04550	8.9
163.06299	3.0
163.07663	60.7
164.07938	4.4
367.10300	2.3
367.21072	3.1
368.08218	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96499	0.6
55.01882	7.9
57.03458	3.6
58.00581	0.8
59.01383	49.8
69.03464	0.9
69.10778	4.2
71.01386	49.6
71.05009	0.7
73.02949	23.8
73.06602	0.7
75.00890	1.0
81.31167	0.6
83.01398	14.4
83.56120	0.6
85.02956	30.6
86.00114	1.4
87.00870	1.9
89.02455	5.2
92.18106	0.6
95.01394	3.6
97.02956	1.7
99.00892	8.0
101.02450	61.7
102.02817	1.6
104.65132	0.6
109.67713	0.6
111.00861	1.7
113.02457	22.1
117.87761	0.6
119.03538	1.1
125.02537	1.4
129.01927	1.5
131.03549	1.6
131.66812	0.7
143.03477	1.2
143.07201	0.9
159.02985	4.6
161.04567	17.2
168.41139	0.6
183.87819	0.7
209.81882	0.7
235.11877	100.0
236.12199	6.1
345.76678	0.7
367.16058	4.6
368.16464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
55.90400	0.7
56.94816	0.7
57.03446	3.3
59.01379	26.9
69.03670	3.7
71.01389	24.9
73.02953	13.8
74.27367	0.8
83.01393	7.5
85.02956	15.0
86.00129	0.9
87.00883	1.8
89.02466	3.3
95.01385	1.1
95.57509	0.9
97.02951	1.5
99.00880	4.3
101.02451	35.4
102.02802	0.8
113.02456	13.0
114.13709	0.7
121.02959	1.3
128.11699	0.8
129.01982	0.9
131.03497	0.8
131.53183	0.9
141.45244	0.7
141.65556	0.7
143.03545	1.3
149.04498	0.8
159.03018	2.7
161.04575	14.8
172.87732	0.8
191.05617	3.0
235.11879	100.0
236.12303	4.5
340.49701	0.7
367.16220	7.2
368.15918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63378	27.5
52.09067	29.2
57.55445	33.7
63.67939	32.6
69.50314	100.0
82.68816	31.9
99.31190	32.3
136.30222	27.8
144.06773	31.8
161.86861	36.2
177.79962	33.4
192.75073	31.9
195.06566	35.6
247.54639	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	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24048	0.7
56.20160	0.7
57.03455	2.7
57.88920	0.8
59.01385	100.0
60.01723	1.1
61.69024	0.7
66.10497	0.7
71.01380	5.3
73.02955	2.0
83.01408	1.3
85.02959	18.2
86.03358	0.8
89.02441	1.2
95.01418	1.6
97.02956	0.9
98.21799	1.5
99.00925	1.6
101.02444	4.6
105.01964	2.9
111.00898	4.0
113.02444	4.2
117.03484	0.8
123.00877	1.9
129.01945	2.5
134.03711	4.5
140.01154	1.0
141.01990	1.7
145.02971	1.9
147.03096	1.6
161.04623	3.2
163.04044	1.7
163.25781	0.7
173.00943	1.3
175.04051	1.0
179.05867	0.7
183.69826	0.7
191.01929	1.3
191.05643	1.2
193.05077	3.5
211.14159	0.9
225.11488	0.9
251.05719	1.1
307.17709	6.0
310.14258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03455	3.2
59.01385	100.0
60.01715	0.9
67.48491	0.6
69.03474	1.1
69.18217	3.1
69.18627	1.1
71.01389	8.9
73.02967	2.6
83.01402	3.2
85.02960	26.6
85.03479	1.3
87.00880	0.8
89.02449	2.5
99.00919	1.9
100.78466	0.7
101.02450	7.7
113.02485	2.5
117.65340	0.7
119.03558	1.9
129.01941	6.2
130.08774	1.8
134.03748	7.4
135.04533	1.5
138.50400	0.7
147.03070	4.9
150.33972	0.8
151.57565	0.7
159.03023	0.9
160.01727	2.3
161.02408	0.7
161.04550	7.9
161.05664	0.7
162.77235	0.6
163.04021	0.7
164.41107	0.7
173.00877	5.2
175.04117	2.5
193.05026	3.6
218.05626	0.8
221.06906	0.7
225.99414	0.6
244.93326	0.8
261.07779	1.4
307.17648	10.0
308.18079	1.2
324.18259	0.9
360.33109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
59.01379	11.0
62.09998	1.1
69.41781	5.7
69.42151	2.5
89.02429	2.5
91.04017	12.7
96.87440	1.2
100.25683	1.2
107.15717	1.6
121.03007	2.8
171.10310	2.1
174.22186	1.4
176.12804	1.2
186.95631	2.2
195.13911	9.2
202.98763	3.5
203.48691	1.3
217.00285	3.0
223.11566	1.3
223.13406	8.2
256.13269	2.4
275.20093	6.0
277.21741	2.4
293.21259	100.0
294.21497	12.5
295.22794	3.2
317.21002	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	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.46899	0.5
71.54877	0.5
104.55379	0.5
133.06609	8.0
134.06921	0.6
149.09731	76.1
150.10062	3.9
205.15988	45.1
205.18857	0.8
206.16319	3.7
295.17041	3.2
296.17615	1.5
306.86328	0.6
328.16748	2.4
367.26428	100.0
368.26785	15.2
377.21851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48263	0.5
59.46394	0.6
61.21065	0.6
63.64317	0.6
67.87570	0.5
70.55518	1.2
73.18925	0.6
74.91561	0.6
93.82218	0.5
103.85969	0.6
103.86730	0.6
133.06610	2.7
149.09735	100.0
150.10071	5.5
178.07201	0.7
189.12885	1.0
202.49733	0.5
205.15987	98.3
206.16331	8.2
301.88632	0.6
352.57800	0.6
367.26440	78.8
368.26837	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	368.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79078	0.5
59.01382	0.8
60.31297	0.5
60.66445	0.5
60.99311	1.2
61.98835	100.0
67.01900	2.0
69.03470	0.6
70.96220	1.0
71.01395	1.5
73.32665	0.5
85.02959	6.1
87.00870	4.2
87.01314	0.5
93.03467	15.2
95.05022	1.0
98.22584	0.9
105.03483	1.4
109.02949	0.8
111.04504	2.9
113.43879	0.6
117.61081	0.7
129.01944	1.2
133.02969	15.2
135.04567	0.7
138.22028	0.6
145.89009	0.5
151.04108	0.6
155.73070	0.6
171.28696	0.6
173.04559	14.3
177.01936	2.8
191.02005	0.9
191.05617	20.5
195.03073	3.3
215.05630	2.3
271.03888	0.6
344.72549	0.6
351.07199	3.6
369.08365	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	368.1717
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
55.11530	0.4
57.03444	1.0
58.02977	1.2
59.01384	8.6
69.03472	3.0
70.10894	0.7
70.11226	0.7
71.01386	6.7
72.99311	0.7
73.02959	2.7
75.00888	0.6
83.01398	0.9
84.02184	0.4
85.02956	4.1
89.02444	1.3
93.03439	0.5
95.01386	0.8
95.05034	2.0
97.02946	2.4
97.62810	0.4
99.00882	0.6
99.72227	0.4
101.02457	4.2
106.57458	0.4
107.05035	0.9
110.09814	0.5
113.02464	4.9
119.03554	0.6
119.05038	1.6
121.06624	0.5
122.03751	1.7
123.08144	1.7
128.10823	7.8
130.08749	100.0
131.03470	0.6
131.09119	3.4
133.02989	0.9
133.06621	0.9
135.04555	4.6
139.04007	1.8
147.04530	0.5
147.08255	0.4
149.06148	0.6
149.09724	1.0
151.04088	1.0
151.07697	1.9
152.06905	0.4
154.08714	1.6
154.12408	1.1
156.06677	0.9
161.02458	2.4
164.04779	2.5
165.05595	5.0
172.09813	8.5
175.07637	1.6
179.03528	4.4
185.00957	1.0
193.08708	0.7
197.08177	0.6
198.11359	1.1
219.82062	0.4
224.09521	0.4
237.07640	0.6
262.18143	0.8
270.13538	1.3
306.17001	1.2
309.09613	1.7
311.09540	0.5
311.59796	1.0
324.18173	13.8
325.18542	0.8
327.10794	0.8
332.15207	0.6
350.16171	4.1
351.16266	0.4
368.17163	27.3
369.11844	2.4
369.17007	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.11194	0.8
57.03449	10.7
59.01379	10.5
61.07001	0.7
68.99820	0.7
71.01381	2.3
72.99294	1.3
73.02955	0.9
75.00868	2.5
77.04006	1.5
78.87821	0.7
83.01387	3.4
84.02154	1.1
85.02957	100.0
85.96922	0.7
86.03313	2.3
90.14008	0.7
95.05038	1.6
101.00941	1.6
101.02437	1.4
103.00375	1.1
105.03452	5.1
109.02937	1.0
111.00903	4.1
115.00395	1.0
115.02534	2.2
117.00458	9.0
123.04527	5.6
129.01973	7.0
130.08748	7.3
131.02026	12.4
132.02135	0.9
133.02968	18.2
133.48912	0.8
134.03337	1.4
141.00400	2.2
147.03001	13.7
149.02414	1.2
156.99937	2.9
159.01474	2.3
171.29709	0.7
173.00928	1.7
177.01953	6.0
184.01672	0.7
189.01024	0.9
191.01981	27.4
192.02394	1.8
195.03058	1.1
198.99408	1.3
199.01009	2.7
217.00539	1.8
227.00504	4.3
231.02144	3.1
241.00597	1.7
243.02083	1.0
257.03653	7.3
258.03711	0.9
259.01602	2.8
272.09906	3.3
273.03189	8.5
274.03146	0.9
288.07806	1.0
313.02609	1.8
321.63837	0.7
341.02148	2.6
369.01385	5.8
370.01855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03443	0.8
59.01384	24.7
59.15555	0.5
65.03989	0.5
69.03459	4.2
71.01026	0.8
71.01386	10.9
72.99299	1.1
73.02956	7.7
75.00889	1.0
81.44202	0.5
83.01397	2.2
85.02959	7.7
87.00913	0.8
89.02453	4.3
93.03470	1.6
95.01401	1.9
97.02961	1.3
99.00864	0.9
101.02448	10.8
107.05037	1.0
108.02197	0.6
113.02459	12.1
119.03516	1.7
119.05042	2.6
120.86701	0.6
121.02962	0.7
121.06598	0.7
122.03750	30.1
123.04022	0.4
123.04579	0.9
128.10835	0.6
130.08746	8.9
131.03484	1.5
131.09108	4.2
133.02921	0.9
135.04544	6.2
136.05264	0.9
137.06039	0.7
139.04012	0.5
145.06622	0.7
147.04431	0.8
149.02509	0.6
149.04651	0.6
149.06105	0.8
150.03264	3.7
161.02438	2.2
163.04037	0.9
164.04805	100.0
165.05577	97.8
166.05914	4.5
172.09886	0.8
174.03143	0.5
175.03922	1.3
177.05568	1.3
179.03477	4.4
185.00885	1.4
189.05565	4.0
191.07118	0.8
207.06671	1.3
219.06653	2.3
309.09805	6.8
310.10165	0.7
311.09332	0.7
321.68259	0.5
325.18500	1.4
327.10907	2.3
369.11871	7.7
369.17352	3.7
370.12460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03448	1.6
59.01384	84.2
60.01714	1.2
69.03459	2.4
71.01387	30.5
72.99317	0.8
73.02951	100.0
74.03284	2.0
81.03454	0.9
83.01399	20.7
85.02957	11.5
87.00883	2.9
89.02454	7.5
97.02969	1.5
99.00901	1.2
101.02451	53.9
102.02799	1.3
107.05026	3.7
113.02470	6.8
119.03544	1.5
119.53943	0.8
121.06602	4.7
125.02483	2.4
131.03482	3.2
135.04524	6.1
143.03514	2.8
147.03130	1.0
147.04539	4.7
147.08183	2.1
149.04594	1.6
149.06116	1.9
151.03481	0.6
155.03491	1.5
161.04559	6.6
163.04034	1.1
164.04808	1.8
165.05579	28.1
166.05978	1.2
167.07173	4.7
191.07312	1.0
327.10992	2.6
337.63672	0.7
369.11914	24.9
370.12256	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	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
55.86500	0.3
57.03178	0.7
57.03453	11.5
59.01384	7.3
59.92596	0.4
62.17637	0.4
62.57763	0.3
68.99807	0.6
71.01385	3.5
72.99323	1.9
73.02948	1.1
75.00875	3.3
77.61694	0.3
83.01402	3.1
84.02174	1.6
85.02958	100.0
86.03301	2.5
87.00892	1.3
91.01222	0.3
98.17554	0.3
99.00877	0.7
101.02442	1.4
103.00388	1.4
103.30782	0.4
106.37170	0.4
111.00894	5.3
115.00372	1.1
120.99686	0.6
129.01959	8.3
145.01454	0.4
147.03006	17.2
148.03331	0.5
163.02568	0.6
173.00937	2.1
177.09216	4.7
191.01987	24.6
192.02364	0.6
230.44014	0.4
253.14439	0.4
360.02985	0.4
369.11887	3.3
369.19110	0.5
370.12399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.99420	7.1
71.01377	17.3
73.02946	25.4
83.05020	10.0
83.30973	6.6
85.02960	27.5
88.33241	8.1
98.22688	22.5
98.78748	6.3
99.00880	9.9
101.02451	23.3
105.23961	6.1
113.02467	20.6
121.06593	12.7
127.03925	9.9
133.02956	8.2
141.02032	13.1
147.04521	15.1
149.06091	16.3
151.83437	6.5
159.02997	12.0
167.07077	7.4
171.10362	9.6
173.54999	6.3
179.35504	6.9
229.06657	8.4
239.94589	7.2
333.15591	61.1
369.11685	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	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67403	5.0
57.20441	3.9
57.93915	4.1
59.01385	100.0
60.44764	4.1
61.98848	8.2
63.27665	4.5
69.05447	23.2
69.05846	9.5
71.01387	31.7
73.02962	73.8
81.07095	9.0
83.01405	19.2
85.02950	22.7
97.02968	3.8
98.21931	11.5
101.02437	28.9
113.02480	14.4
121.10220	32.9
125.02455	9.0
127.89198	4.2
145.10199	5.1
155.03590	5.1
160.84319	8.9
161.04544	4.9
161.09741	6.1
162.00705	4.3
163.11334	19.1
165.09219	84.5
169.10226	4.7
207.10320	10.2
210.40329	4.9
215.52444	4.4
237.11267	6.2
250.43190	4.5
256.49136	5.6
256.52942	5.1
278.52747	4.7
380.84412	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	370.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.56861	9.4
71.01370	29.4
80.38765	9.6
80.65977	9.4
84.00919	12.8
84.32607	10.1
85.02963	14.2
86.42519	9.2
89.02446	34.4
101.02472	15.5
113.02480	18.8
119.03474	14.4
121.10270	47.7
131.52264	10.0
135.73415	11.0
165.09169	27.3
167.28481	10.6
370.23038	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	370.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.9
66.79324	11.7
67.07050	8.5
70.97837	10.1
71.01392	16.2
79.96177	8.1
84.00887	9.6
85.02953	49.8
96.96032	25.4
109.02940	18.7
111.00833	9.9
121.02908	9.7
124.03173	9.7
127.47507	8.7
136.01729	8.6
137.02451	24.6
138.03227	10.5
139.06476	9.7
152.04736	8.7
160.05325	16.5
165.09203	40.7
177.03404	10.3
190.02374	8.3
191.02057	12.6
209.03032	15.7
232.70270	9.4
281.08148	10.4
327.12418	100.0
329.29840	9.5
370.09204	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	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37509	0.9
57.03448	9.6
59.01381	9.4
59.56274	0.9
61.14716	0.9
71.01388	10.7
71.34811	1.1
72.99319	1.8
73.02979	0.9
75.00882	3.4
83.01382	1.4
85.02956	73.0
86.03296	1.8
87.00886	1.6
89.02453	4.9
92.23894	0.9
101.02495	1.3
103.00385	1.2
108.02177	3.6
111.00896	3.9
121.02937	0.9
129.01947	6.2
131.43019	0.9
133.01424	6.4
135.04539	1.7
147.03015	3.2
152.01164	2.9
167.03514	6.6
173.00914	2.3
174.27779	1.1
191.01993	26.2
191.05515	1.2
209.03038	100.0
210.03397	4.0
220.23125	1.3
318.63849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03450	9.9
59.01381	9.8
68.25303	0.5
68.99809	1.1
69.47237	2.1
71.01024	0.9
71.01392	13.5
72.99312	2.8
74.25422	0.5
75.00900	3.2
79.18429	0.5
83.01372	0.9
84.02174	1.2
85.02957	83.8
86.03283	1.8
87.00875	2.2
89.02447	4.0
92.35509	0.8
99.00837	0.6
100.89082	0.6
101.02478	0.8
103.00372	2.3
107.60597	0.6
111.00877	3.4
112.42702	0.5
115.00372	1.5
118.77068	0.6
129.01949	5.9
133.01457	6.2
135.04514	3.3
135.16568	0.5
147.03017	4.3
157.77390	0.5
163.58859	0.6
173.00899	1.9
179.03520	0.6
182.50293	0.6
187.21622	0.5
191.01991	23.4
192.02351	1.1
209.03036	100.0
210.03357	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.84873	0.7
57.03209	1.0
57.03458	9.6
59.01380	9.1
59.29159	0.7
68.05613	0.8
68.36604	0.7
68.99823	1.2
69.47131	3.4
69.47529	1.2
71.01382	12.7
71.35368	0.8
72.99318	3.2
73.02959	1.0
75.00880	2.8
76.74254	0.7
83.01411	1.9
84.02186	1.0
85.02956	85.3
86.03297	1.6
87.00896	1.7
89.02439	4.4
95.84566	0.9
101.02448	1.3
103.00385	2.7
111.00877	5.7
118.15323	0.7
129.01950	7.8
130.15147	0.9
133.01442	6.2
135.04515	2.3
147.03001	4.4
173.00914	1.8
191.01982	28.8
192.02345	1.4
202.76045	0.8
209.03033	100.0
210.03378	4.0
337.14792	0.9
342.95901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03452	22.9
59.01394	1.4
69.76749	4.6
73.99160	1.4
83.01363	2.0
83.05051	2.5
85.02956	100.0
86.03307	2.4
89.00335	1.7
89.05114	1.3
89.66306	1.4
106.00620	2.0
111.00896	2.7
121.02972	17.3
123.00851	2.0
129.01958	39.7
138.03297	2.0
138.65256	1.6
153.05579	9.1
166.99834	1.5
173.00919	5.8
191.02043	3.9
196.30479	1.5
197.04549	17.6
198.54985	1.2
203.74927	1.3
209.03052	4.9
371.21936	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.7
55.08923	0.6
57.03455	19.9
59.01382	3.5
69.45547	2.1
69.45957	1.4
71.01382	2.7
79.83656	0.7
83.01396	2.1
84.02184	1.1
84.32971	0.7
85.02956	100.0
86.03288	2.6
89.00362	0.7
89.02450	1.2
101.02441	1.0
106.00623	0.8
110.12855	0.6
111.00890	4.5
113.02408	0.6
121.02961	11.8
123.00915	0.8
129.01953	39.1
130.02249	1.2
138.03207	1.7
145.03041	0.7
153.05588	7.1
173.00929	6.3
182.02127	1.1
191.01991	4.7
197.04546	11.8
198.04994	0.6
205.05023	1.4
209.02927	1.5
371.06439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.24357	0.2
51.50113	0.1
51.79282	0.1
52.65652	0.2
59.01374	0.4
60.11745	0.1
61.49236	0.1
69.43396	0.2
70.62678	0.3
73.44212	0.2
73.44625	0.2
76.15176	0.1
77.03973	0.4
97.06587	0.4
105.03497	0.3
110.68263	0.1
120.02200	0.6
121.02969	100.0
122.03301	4.1
135.04549	0.3
141.51566	0.2
149.02481	0.5
151.03998	0.2
171.92436	0.2
179.03522	10.3
180.03888	0.5
181.06630	0.3
197.06062	0.3
225.05611	0.7
231.10356	0.5
239.07147	0.5
283.06204	0.4
371.07764	10.5
372.08151	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	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01384	5.3
64.44944	0.5
69.03445	1.7
71.01383	3.3
73.02950	1.3
83.01391	0.8
85.02946	5.3
89.02435	0.9
97.02924	0.6
98.09821	0.5
99.00894	0.7
101.02441	1.7
104.42910	0.7
108.02183	1.4
109.02963	18.9
110.03296	0.9
111.00867	0.6
113.02441	1.3
117.03468	2.5
119.03523	0.6
119.05006	0.6
121.02954	1.1
129.01955	1.2
134.03773	1.3
135.04518	1.2
137.02409	0.7
143.04787	0.8
145.02965	32.1
146.03757	32.6
147.02963	0.5
147.04549	4.8
157.02986	1.4
158.03741	5.2
159.04535	5.4
161.02502	3.1
163.03975	4.1
173.02437	13.8
175.04042	1.4
177.05530	2.9
187.04044	2.5
188.04776	2.1
189.01903	1.6
190.02716	15.2
191.01878	0.6
191.03397	1.3
202.02724	0.6
202.15222	1.0
203.03479	1.6
204.04306	3.7
205.05061	100.0
206.05389	5.0
209.03018	2.6
211.07605	0.8
217.05058	14.8
218.05525	1.7
221.06078	0.9
229.01424	6.0
230.01640	0.7
239.07178	1.1
248.04831	0.8
249.05544	2.4
250.06265	1.0
250.89236	0.6
254.05946	0.6
255.16077	1.3
261.03998	1.1
265.04898	0.6
266.05899	1.1
267.06635	7.3
268.07272	1.0
277.05078	3.6
278.05759	0.9
293.04709	0.6
294.05289	0.8
295.06131	9.6
296.06409	1.3
297.07574	0.6
327.08774	19.4
327.12689	1.2
328.09030	1.7
339.04987	3.9
356.08969	1.5
371.07669	1.6
371.11441	1.5
371.15842	1.2
371.24472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34576	0.4
58.02974	0.4
59.01379	1.2
69.03455	1.4
69.05994	2.5
71.01385	0.8
73.02952	0.8
74.02455	0.6
80.89456	0.3
83.01373	0.6
85.02947	1.2
91.85462	0.3
98.21872	0.6
99.00892	0.5
99.05651	0.5
108.02219	0.6
109.02956	17.8
110.03298	0.9
115.05523	0.3
117.03469	2.4
118.04249	0.6
119.05068	0.6
121.02972	1.3
129.01933	0.4
129.03442	0.9
133.02876	0.5
134.03746	0.8
135.04463	0.7
142.02777	0.4
143.04677	1.7
145.02962	36.0
146.03757	32.4
147.04562	4.4
148.05292	0.6
157.02997	2.7
158.03754	5.9
159.04527	5.1
161.02502	2.3
162.03119	0.4
163.04033	4.7
173.00929	0.7
173.02443	13.3
174.03091	1.2
175.03979	1.6
177.03419	1.2
177.05548	3.8
185.02440	0.9
187.03995	2.5
188.04790	1.7
189.01974	1.6
190.02734	15.3
191.03381	1.9
197.06125	0.6
202.02682	1.1
203.03543	1.9
204.04279	5.0
205.05063	100.0
206.05420	6.8
209.02881	0.5
216.04251	0.5
217.05064	14.1
218.05504	1.3
221.06050	0.5
222.06898	0.4
223.10887	0.4
229.01445	6.8
230.01939	0.6
237.05510	0.7
238.06384	0.7
239.07190	0.8
248.04706	0.5
249.05580	2.1
250.06299	1.3
253.05052	0.5
261.04025	1.2
265.05255	0.5
266.05759	1.2
267.06650	6.6
268.07230	1.9
277.05042	4.2
278.05676	0.9
293.04517	0.9
294.05133	0.4
295.06119	8.9
296.06494	0.7
309.07877	1.1
327.08765	19.9
328.09235	2.1
339.05054	4.4
340.05682	0.6
371.07556	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	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
63.43154	0.4
69.03457	0.7
81.03427	0.5
83.01373	0.7
84.56102	0.4
85.02946	1.4
88.44861	0.4
97.10480	0.4
101.41284	0.5
108.02158	1.1
109.02956	17.2
109.03707	0.9
115.05531	0.5
117.03452	2.4
118.04285	0.5
119.05028	0.8
121.02959	1.3
131.05074	0.5
134.03752	1.0
135.56529	0.5
143.04865	0.5
144.02051	0.5
145.02963	38.0
146.03758	33.7
147.04544	5.3
148.05331	0.8
149.02440	0.5
157.03014	2.7
158.03735	6.4
159.04515	4.7
161.02422	2.4
163.04008	4.2
173.02446	13.7
174.03165	0.8
175.04013	1.3
177.05569	4.0
185.02461	0.6
187.04018	2.3
188.04759	1.9
189.01929	1.6
190.02727	17.1
191.03346	1.4
191.07138	0.6
202.02701	0.7
203.03481	2.1
204.04292	5.6
205.05066	100.0
206.05400	6.9
211.07739	0.8
217.05061	13.4
218.05435	1.1
221.06071	0.8
229.01439	6.1
237.05516	0.5
238.06358	0.5
239.07079	0.8
249.05557	2.4
250.06485	1.1
254.05907	0.6
261.03998	0.8
266.05792	0.8
267.06616	7.6
268.07394	1.2
277.05057	3.2
278.05646	0.7
293.04559	0.9
294.05280	0.9
295.06110	8.5
296.06439	0.9
309.07770	0.8
327.08746	20.4
327.12637	1.1
328.09171	2.2
339.05157	3.9
341.10468	0.7
371.07733	1.8
371.12164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Licoleafol
Peak:m/z	Relative Intensity
56.54301	1.0
58.17002	0.9
59.01373	4.0
69.03465	7.2
69.69740	3.2
69.70103	1.5
71.01392	1.8
85.02966	4.2
86.17485	1.1
93.03490	2.3
97.02965	1.4
98.22607	1.1
99.00903	1.2
108.02163	3.2
109.02972	17.4
111.39394	1.1
117.03508	2.2
119.05034	16.4
121.02953	9.8
123.04533	2.3
130.04311	1.5
133.06599	1.5
134.03745	2.6
143.04744	1.4
145.02966	30.9
146.03766	30.0
147.04536	44.1
148.05330	33.4
149.02522	1.3
149.05565	1.2
150.03226	4.2
151.03983	2.1
157.02925	1.3
158.03764	5.4
159.04497	3.9
160.05304	5.3
161.02403	1.6
161.06076	9.9
162.03238	4.5
162.06908	8.2
163.03983	6.9
163.07602	2.2
164.04739	2.0
165.05663	1.2
173.02434	12.3
174.03201	3.2
175.04002	3.2
176.04790	10.2
177.03404	2.0
177.05638	2.5
178.02657	1.3
180.04247	5.6
180.05734	1.8
185.00908	3.9
187.04037	2.6
188.04718	3.0
189.05563	3.0
190.02744	12.2
190.06233	2.0
191.03506	72.5
191.07144	52.7
192.04169	11.9
192.07468	2.8
193.04984	1.6
193.06592	2.7
194.05774	3.9
195.08153	5.3
196.05356	1.9
197.06015	2.0
204.04239	4.1
205.05058	87.6
206.05704	17.7
206.07353	1.7
207.04584	1.1
207.06445	2.4
207.08177	7.4
208.08641	1.0
209.03050	1.9
209.06088	5.6
211.07607	5.6
217.05028	12.6
220.03705	7.8
221.06090	7.5
222.06839	5.0
223.07692	10.2
224.02972	5.5
224.05110	2.3
225.05562	2.4
229.01373	5.3
233.04539	5.3
233.06310	3.2
234.05231	3.5
234.07076	2.4
235.05782	16.8
235.07904	5.8
237.05582	7.4
238.04738	10.5
239.04987	2.0
239.07132	19.8
240.07610	1.2
247.05946	1.4
248.04724	3.3
249.05597	12.1
250.06366	10.7
251.07138	42.2
252.07584	6.0
253.05196	1.2
253.08514	1.9
261.05627	2.3
262.06314	4.6
263.07181	17.3
264.07858	9.2
265.05057	4.2
265.08658	3.9
266.05795	6.8
266.09283	1.6
267.06635	70.6
268.07224	17.2
269.08029	1.9
276.04581	1.4
277.05063	5.9
277.08530	1.7
278.05740	4.7
279.06644	41.7
279.09744	1.6
280.07083	4.1
281.08069	2.7
282.08972	21.8
283.09598	4.3
284.10468	1.8
293.04819	2.5
293.07883	2.0
294.05362	17.5
294.08966	17.5
295.06128	27.6
295.09311	1.8
296.06464	2.4
297.07996	1.8
297.11292	12.6
298.11713	1.6
299.12912	4.3
307.06128	7.6
308.06714	3.8
309.07721	41.0
309.11084	2.1
310.08453	9.8
311.05624	8.2
312.06122	3.7
321.07779	5.4
321.62897	1.1
322.08417	17.3
323.05664	42.0
323.09207	6.9
324.06015	2.4
325.06961	1.5
326.07986	16.5
327.08694	25.0
327.12393	7.6
328.09155	1.8
337.07355	2.8
338.07980	57.0
339.04858	2.4
339.08353	5.6
341.06030	1.6
341.10300	76.6
342.10645	9.7
353.10315	100.0
354.10638	13.0
371.11371	36.5
372.11740	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	1.8
69.20256	0.6
69.20568	3.6
71.01392	2.9
73.02950	3.5
83.01395	1.0
85.02954	3.8
87.00933	0.7
89.02474	2.1
97.02972	1.3
99.00900	0.6
100.99112	0.5
101.02457	3.1
107.05054	2.4
111.00908	0.8
111.04510	0.8
113.02502	0.8
117.59266	0.5
119.03540	1.6
121.03010	0.7
121.06620	1.2
129.01959	1.0
131.08864	0.7
134.03777	1.3
135.04518	0.9
141.01964	1.2
145.06190	0.8
149.06104	17.5
149.07240	1.3
153.05672	0.6
163.07768	0.9
167.03603	0.8
167.07193	0.7
179.03482	0.8
186.12279	0.6
193.05090	0.6
197.04553	1.0
209.08131	0.7
241.72121	0.6
268.21048	0.6
269.10034	0.6
314.95404	0.6
333.15329	0.6
343.99133	0.6
368.67044	0.6
371.13760	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.6
55.02138	0.5
56.06127	0.3
59.01379	1.4
67.01884	0.6
67.09028	0.3
67.35325	0.3
69.03462	100.0
70.03791	3.0
71.01385	1.5
71.31414	0.3
71.42261	0.4
72.99304	2.0
73.02948	0.4
75.46380	0.3
76.82620	0.3
79.01896	4.2
83.01397	0.5
85.02943	1.6
95.01395	1.7
97.02959	18.7
98.03282	0.4
99.00890	25.7
100.01231	0.3
101.02452	0.6
108.81855	0.3
111.00893	0.3
113.02456	0.6
123.00951	0.6
135.04581	0.5
141.01945	9.2
161.02489	0.4
185.00929	47.6
185.11845	2.1
186.01236	1.9
186.12167	0.4
209.03101	0.8
255.16051	0.5
336.86282	0.3
356.11285	0.4
371.08826	0.5
371.13504	9.7
371.17151	0.4
372.13892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28240	0.6
56.01341	0.6
57.03450	0.7
59.01384	100.0
60.01728	1.1
67.08922	0.5
67.38632	0.6
68.33064	0.6
69.03474	1.0
69.49238	1.6
69.49646	1.1
71.01392	4.0
73.02966	1.4
74.99108	0.9
80.96535	0.8
83.01405	0.7
85.02979	3.1
89.02470	2.0
97.02965	0.7
101.02460	2.9
107.05084	1.6
113.02488	1.6
119.03537	0.6
129.01955	1.0
130.08781	1.2
134.03795	2.1
149.06097	13.0
167.03535	0.7
185.11865	0.6
193.05089	0.6
197.04630	1.1
238.80968	0.6
281.86182	0.6
302.74939	0.6
371.13727	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	371.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
55.05237	0.5
57.03437	2.7
58.00605	0.6
59.01384	100.0
60.01715	1.5
69.03485	0.9
71.01386	38.8
72.99326	1.4
73.02952	45.0
75.00887	1.3
75.18437	0.5
80.96526	0.6
81.03477	1.8
83.01391	10.3
83.01840	0.8
83.05045	2.8
85.02959	15.0
87.00895	2.0
89.02456	17.9
93.03489	1.7
95.01389	3.7
97.03000	0.7
99.00919	1.6
101.02453	34.4
102.02819	1.0
107.05058	1.6
113.02462	22.7
119.03510	6.1
121.02997	1.1
123.04542	6.8
125.02467	1.8
129.02029	1.0
130.08752	0.8
131.03516	2.2
133.03017	0.5
134.03757	17.3
134.04720	1.1
135.04523	0.6
137.02444	3.8
137.06122	0.6
143.03583	1.2
148.45815	0.5
149.04723	1.6
149.06097	21.1
152.04843	1.2
155.03561	1.0
161.02521	0.7
161.04549	2.9
165.05643	0.6
167.03519	17.9
167.07193	2.1
168.03926	1.1
179.05637	1.9
180.40073	0.8
197.04538	0.6
199.18181	0.7
209.02956	0.6
209.04657	0.9
209.08211	1.4
223.41928	0.5
243.17180	0.6
244.17528	1.0
311.11392	14.4
312.11673	0.8
329.12457	8.6
329.16193	0.7
353.21259	0.7
370.23413	1.3
371.13364	1.1
371.23758	4.0
377.25659	0.7
390.67587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74593	0.8
55.01893	1.1
57.03444	1.7
58.97205	0.7
59.01385	100.0
69.03447	0.9
69.58590	2.8
71.00986	0.9
71.01390	39.0
73.02953	49.8
74.39268	0.6
78.55201	0.7
83.01392	11.4
84.68283	0.7
85.02960	12.4
87.00887	1.1
89.02449	20.6
95.01379	3.8
97.02958	0.8
99.00890	2.0
100.24242	0.8
101.02452	35.9
105.98796	0.7
107.05008	1.0
110.25027	0.7
110.95515	0.7
113.02466	22.5
119.03516	6.3
122.03691	1.0
123.04517	2.1
125.02464	1.3
131.03529	2.5
134.02748	0.8
134.03758	15.7
143.03516	2.4
145.03317	0.8
149.04643	1.1
149.06100	18.6
150.06413	1.1
151.36517	0.7
152.04773	1.6
157.07756	0.7
161.04601	3.6
167.03500	6.6
167.07126	1.2
179.05574	1.0
200.53548	0.8
207.69652	0.9
311.11374	15.6
312.11710	1.7
327.14594	0.8
329.12424	9.1
329.69821	1.0
371.13040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	32.1
58.53306	24.6
59.01388	85.9
69.03458	29.0
71.01374	66.2
74.13105	27.4
83.52590	25.9
85.02961	100.0
98.21792	49.8
119.19192	36.9
126.15326	27.2
143.10783	38.7
162.03287	29.3
177.05534	29.1
209.03140	41.8
238.58757	29.0
261.15146	41.7
317.17709	43.8
325.36151	28.6
371.11148	28.9
371.16470	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
71.01394	41.5
85.02951	40.9
103.35861	16.3
111.00889	19.2
115.00356	33.3
147.69122	17.6
150.85909	16.7
163.29390	16.8
209.03023	30.2
255.12379	50.7
317.17566	44.9
371.16388	42.0
371.24484	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59382	0.9
59.01386	24.6
61.98831	1.3
64.32561	0.9
70.42057	1.0
71.41840	1.1
71.99134	3.8
74.00704	19.4
74.02177	0.8
74.02485	9.7
85.04047	1.0
95.05019	1.1
97.04085	6.1
97.06601	27.4
98.06885	1.1
100.00420	100.0
101.00717	1.7
115.92055	1.7
123.05629	1.6
123.08174	4.0
128.03523	3.4
136.05211	1.2
150.06883	3.4
158.03760	1.2
159.04044	1.0
164.04825	1.5
175.01808	12.3
177.10384	1.3
193.02890	34.9
203.10684	1.1
213.09187	2.6
213.42590	1.1
231.10280	45.1
232.10568	4.0
239.10341	2.0
251.34438	1.1
255.08037	1.7
257.15530	3.7
273.09167	1.3
299.12930	1.8
308.32547	1.0
311.16537	1.4
311.77808	1.1
314.15271	1.6
329.17563	7.9
371.09320	1.0
371.18787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72110	0.7
55.01883	1.3
55.54295	0.8
59.01385	32.4
61.65911	0.6
67.01907	1.2
67.16883	0.7
71.01390	1.0
71.41407	1.0
71.99139	3.5
74.00705	16.6
74.02480	9.4
83.05132	0.9
85.02950	1.1
85.04045	1.0
87.00894	0.8
92.54650	0.7
95.05047	1.4
97.04082	4.9
97.06600	23.3
98.06962	0.9
100.00417	100.0
101.00744	1.8
115.92049	1.3
121.02973	11.9
122.03355	0.9
123.05643	1.1
123.08179	2.9
125.11758	0.8
128.03552	2.8
129.03091	0.9
131.59688	0.7
136.05260	1.4
150.06862	3.0
159.04172	1.1
160.00749	0.9
164.04802	1.2
175.01823	14.7
178.19353	0.8
181.06631	1.4
187.07654	1.3
188.82022	0.8
193.02901	40.8
194.03177	2.4
204.10361	0.9
213.09305	1.6
215.10606	1.2
231.10284	34.0
232.10620	3.0
239.10396	2.5
243.10283	0.8
255.08162	2.1
255.93626	0.9
257.15454	1.7
273.09186	1.7
283.06360	0.8
287.16638	2.9
299.12863	2.1
300.13611	1.0
309.76245	0.7
311.16663	4.4
313.07199	5.7
314.15115	2.1
327.19714	1.9
329.17612	11.3
330.18027	1.3
335.22281	1.3
371.03104	0.8
371.18738	7.8
372.19073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36458	1.2
57.03466	1.5
59.01383	100.0
60.49183	1.1
69.03457	8.7
71.01383	18.8
72.99316	1.2
73.02950	27.4
83.01395	4.2
85.02939	9.4
89.02439	7.0
95.01379	1.7
96.33580	1.2
98.21822	2.4
99.00903	2.8
101.02452	21.0
113.02472	8.4
119.03500	3.0
130.06279	1.5
133.59973	1.3
143.03496	1.4
144.96254	1.3
147.04504	1.7
149.04483	1.3
149.09721	9.2
185.00926	3.1
191.01872	1.3
191.03513	3.3
191.07172	3.0
209.03113	1.7
255.15933	1.4
265.23355	1.2
341.10196	1.6
353.10403	2.2
371.11462	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	371.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05428	9.5
54.30024	8.8
55.98555	10.1
57.03410	9.1
59.01386	74.9
60.25174	8.9
61.98817	12.8
69.66779	27.7
69.67191	19.3
71.01409	11.2
76.85894	10.6
85.02962	24.2
97.06597	60.1
112.38184	9.5
118.02962	11.8
150.06847	9.9
198.06932	13.3
204.79597	9.6
209.03041	14.8
211.07631	11.3
231.10275	100.0
255.13899	17.2
257.15466	14.1
288.56296	11.3
311.16440	18.7
320.15866	12.2
327.15915	13.3
329.17459	17.6
343.05713	11.7
343.15503	39.1
371.14880	28.7
371.18890	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	371.2191
Annotation	TMC-96
Peak:m/z	Relative Intensity
57.03447	0.8
59.01384	2.9
69.03456	0.4
69.34124	0.4
70.66799	0.3
71.01389	1.7
71.01768	0.3
71.40793	0.3
73.02964	0.5
74.99109	0.7
81.03468	14.3
83.01402	0.5
83.05035	54.5
84.05370	1.4
84.91277	0.4
85.02960	5.1
89.02484	0.3
94.27155	0.4
100.07693	13.4
101.02435	0.4
101.08063	0.4
111.00906	0.4
111.09330	0.4
113.02477	1.2
113.55917	0.3
119.03538	0.4
121.02985	1.0
123.04524	2.6
126.05630	1.6
126.23907	0.4
127.04005	0.9
129.01968	1.7
130.08739	0.7
133.02975	0.7
135.04532	1.2
137.06094	1.0
149.06154	1.7
149.07170	0.4
150.06880	0.7
153.05602	0.7
161.02470	1.2
165.09198	0.9
167.03511	6.8
167.07176	3.9
168.03731	0.4
172.73932	0.4
179.03516	1.6
182.15533	0.6
191.01930	0.4
191.03531	1.3
197.04581	1.3
199.18164	9.5
200.18530	0.6
207.14975	0.6
209.04575	0.6
225.16109	11.7
226.14424	0.8
226.16426	0.7
239.07071	0.9
243.17146	31.7
244.17542	2.1
269.15048	3.0
291.20782	0.5
309.21869	1.4
327.07776	1.2
327.22879	1.1
335.19794	0.4
353.20810	9.2
354.21088	1.3
363.10547	0.5
370.61932	0.5
371.21884	100.0
372.22214	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	372.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76813	3.2
57.03439	12.7
59.01377	39.5
69.45937	9.9
69.46313	6.9
71.01392	20.2
73.02979	4.7
85.02956	100.0
86.03292	25.3
89.02453	11.2
98.22616	4.4
101.02426	9.8
113.02466	6.5
119.03444	7.2
121.02987	5.4
122.03304	4.9
129.01978	24.9
130.02266	10.2
130.08727	4.5
147.03026	6.6
153.05637	6.2
154.05911	5.7
174.01324	4.5
191.02020	7.3
194.05365	3.9
197.04488	22.6
198.04872	7.4
201.62045	4.1
203.31070	3.7
245.00772	3.7
372.13907	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	372.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88335	73.6
58.30949	78.0
132.45845	100.0
197.63759	90.8
199.21230	82.4
203.80933	80.1
361.31796	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12510	55.8
70.15528	100.0
118.53304	53.2
138.39198	57.5
160.88441	56.8
164.40971	55.7
179.74919	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62768	79.1
59.16186	76.0
69.90031	77.0
114.80261	79.6
116.44978	76.9
118.57600	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	373.1141
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
55.01876	2.3
56.01469	1.2
57.03442	3.3
59.01384	100.0
69.03468	16.2
71.01387	57.4
71.05015	3.3
72.99324	2.6
73.02935	3.8
81.03487	1.8
83.01408	4.6
83.05047	1.7
83.83852	1.4
85.02958	29.6
87.00883	6.6
89.02453	55.9
93.03445	1.3
94.01397	1.2
95.01402	4.5
95.05046	4.4
97.06624	1.5
98.21882	2.9
99.00839	1.6
99.04501	1.5
101.02441	24.0
105.07122	1.7
106.04266	2.3
107.05015	2.1
108.02183	4.5
111.00887	2.3
113.02464	19.0
119.03522	17.9
121.06608	16.8
123.04539	75.4
124.04794	1.9
125.02482	1.8
129.01962	4.1
131.03563	1.5
134.03735	3.8
137.02480	3.2
143.03508	2.5
147.03030	2.4
149.06085	48.3
149.07246	2.9
150.06474	3.7
161.04482	7.2
167.07147	86.0
168.00587	1.2
168.07513	4.1
179.05644	8.6
193.05101	11.3
197.04590	2.6
211.06134	88.5
212.06474	4.7
225.92596	1.4
373.11469	44.3
373.21033	2.6
374.11850	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03448	4.4
58.36106	1.5
59.01384	72.2
66.02737	1.5
68.99823	1.9
69.03458	46.2
70.72296	2.5
71.01386	36.2
72.99303	1.9
73.02937	2.9
79.05531	1.7
81.03459	12.2
83.01388	3.5
85.02959	46.3
86.03268	3.8
87.00874	9.4
87.03360	2.7
87.04510	4.6
88.73823	1.6
89.02454	29.6
93.03446	3.8
95.01392	2.7
95.05019	14.9
97.02958	5.8
99.04533	1.5
101.02452	11.9
106.04247	5.2
107.05038	5.9
108.02178	6.6
109.02998	1.7
111.00901	2.8
113.02465	27.1
119.03541	9.2
119.05021	2.8
120.23850	1.4
121.02956	2.2
121.06612	18.9
122.00099	2.4
123.04537	100.0
123.08123	2.0
129.01930	2.7
131.05026	3.3
134.03763	4.2
137.02443	11.7
137.06076	5.2
147.03009	5.5
149.06093	64.3
150.06401	2.9
153.01987	3.6
155.03558	2.7
161.04597	2.5
165.05576	2.3
167.03482	4.0
167.07149	88.4
168.07452	5.3
181.01453	9.7
191.02071	7.4
193.05089	3.7
209.03052	4.8
210.03349	2.5
211.03619	5.9
211.06128	90.9
212.06439	5.2
295.89059	1.6
373.11462	23.9
374.11865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
62.94463	0.4
71.01374	0.8
71.22997	0.5
82.00603	1.7
85.02953	1.9
87.00903	0.7
91.68231	0.4
99.00910	0.4
107.05052	1.1
110.00107	7.9
111.00907	1.5
113.02434	1.4
121.06600	6.2
123.04524	1.0
123.08128	0.4
124.01649	0.7
125.02460	6.3
135.04535	0.8
137.02512	0.6
137.06039	1.0
137.99605	10.6
139.00397	7.3
140.01132	0.6
149.06113	6.1
152.01152	2.4
153.01950	100.0
154.02730	9.2
155.03532	1.2
165.05623	0.5
166.02708	1.0
167.03516	6.7
167.07149	4.9
168.04292	43.5
169.05075	18.0
170.05376	0.7
179.03552	1.2
181.05066	1.6
191.03694	0.5
196.03833	0.4
209.04654	0.5
211.06143	1.2
229.48871	0.5
343.10229	0.6
373.11371	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03469	1.0
59.01384	100.0
68.89445	0.8
69.03452	1.7
69.60443	2.5
71.01387	28.7
72.01737	1.1
72.99292	0.8
73.02953	73.5
74.03310	1.5
75.00874	1.2
83.01402	17.9
85.02956	8.9
87.00926	1.0
89.02454	9.6
97.02956	1.7
99.00890	2.4
101.02450	42.3
102.02773	0.8
103.13428	0.9
107.08726	0.9
111.00845	1.2
113.02452	8.2
119.03529	2.4
125.02460	1.2
129.04263	0.9
131.03529	2.1
135.04576	1.8
143.03516	1.7
147.04430	0.9
148.05382	1.3
151.07664	16.0
151.08775	1.2
155.03543	1.0
161.04553	7.3
169.08763	1.1
179.03520	2.7
181.77556	0.8
189.91212	0.8
285.11404	1.9
287.15030	8.2
313.10455	1.0
331.13962	10.3
343.12045	1.4
373.15112	39.8
374.15375	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.3
66.00303	0.3
69.03452	0.5
69.36023	1.8
71.01388	2.2
73.02932	1.0
77.54902	0.4
79.88569	0.4
80.96489	0.4
81.03465	0.5
83.05022	1.8
85.02966	2.0
87.00903	0.4
89.02450	0.6
95.05027	1.7
101.02443	0.7
106.04272	0.9
107.05061	0.4
113.02476	2.0
127.09388	0.3
133.06590	0.4
134.03699	0.4
135.04520	0.6
143.03516	0.3
147.08159	0.8
149.09744	7.4
158.74272	0.3
161.02509	0.5
163.11259	0.5
167.10794	15.4
168.11118	0.8
168.14200	0.4
171.10294	1.3
179.03687	0.4
193.08730	2.9
203.08211	0.8
211.09773	100.0
212.10118	7.0
225.11411	0.8
253.10835	2.4
313.12177	0.4
328.70435	0.3
373.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52037	0.9
55.01890	6.2
59.01379	17.4
64.49116	1.1
71.01380	12.9
72.99306	9.0
73.02952	100.0
74.03279	1.8
75.00861	1.8
76.89756	1.1
83.01389	20.4
85.02943	3.1
87.00883	3.0
95.25716	1.0
98.21873	2.4
99.00892	8.7
101.02450	94.1
102.02763	2.0
121.02924	1.2
127.00389	11.3
135.04494	1.1
145.01440	62.5
146.01788	1.2
146.03766	1.2
155.10684	1.2
163.02502	3.9
165.12863	7.7
183.13896	25.7
184.14227	2.1
195.94672	1.0
196.73477	1.0
207.13846	1.6
211.13289	1.7
215.12970	2.2
227.12860	16.3
228.13242	1.2
251.12810	2.5
284.10635	1.5
316.84039	1.0
329.13943	2.6
373.14920	1.1
373.25748	1.5
374.00995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01383	100.0
60.01721	1.6
69.06738	1.5
69.07148	1.3
71.01386	5.5
73.02948	6.8
77.24935	0.4
83.01411	1.0
85.02973	2.5
86.11822	0.5
89.02457	4.1
91.24985	0.4
101.02459	4.2
113.02463	2.2
119.03495	3.0
135.63013	0.4
143.03391	0.4
161.04582	4.6
179.05611	0.4
313.10938	0.7
331.17685	7.7
332.18079	0.8
389.18552	0.4
390.39392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03184	0.6
57.03456	0.6
59.01383	100.0
60.01718	1.1
70.11987	0.9
70.49775	0.5
71.01388	4.8
73.02962	1.5
85.02969	3.6
89.02446	1.7
90.40769	0.7
101.02470	1.8
108.02200	2.0
109.02972	1.2
113.02451	1.1
129.01958	0.7
130.08846	0.8
134.03746	1.2
135.04546	1.2
136.01668	1.2
146.03735	0.8
147.04575	1.2
151.04074	0.7
162.03264	1.8
163.04051	1.5
164.04750	0.7
177.02148	0.7
177.05618	0.9
179.03493	1.4
185.11969	0.7
254.05943	1.9
255.06447	0.9
269.08136	3.3
279.60675	0.7
284.10754	1.0
285.11328	0.9
298.08630	1.6
313.10825	5.0
343.11862	8.4
344.12186	0.9
373.13071	5.2
373.17859	1.0
374.13412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17271	0.4
55.01878	0.5
57.03461	0.6
59.01384	100.0
60.01713	1.1
71.01381	3.7
73.02958	1.6
83.01384	0.6
85.02983	2.4
85.96837	0.3
87.00909	0.4
89.02467	1.7
99.00883	0.6
101.02468	1.9
111.00876	0.5
113.02464	1.8
119.03511	0.7
132.04611	0.8
161.04634	1.2
177.53784	0.4
186.62828	0.5
331.17657	1.0
341.11545	1.1
373.18906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.0
70.51752	1.6
70.52085	1.5
71.28947	1.1
93.03449	3.5
148.08824	1.3
165.12871	21.0
166.13167	1.9
194.70619	1.2
196.29250	1.3
201.09259	2.1
202.09985	7.0
234.08957	7.1
244.10788	4.5
247.20711	11.2
273.18549	5.4
291.19687	100.0
292.20038	10.4
313.17957	24.9
314.18213	2.3
373.20029	9.5
374.24597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2023
Annotation	Excisusin E
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.1
60.28839	0.3
64.76376	0.3
71.41420	0.3
83.05097	0.3
83.12779	0.3
97.02956	0.3
115.70006	0.3
118.78780	0.3
119.46936	0.3
131.50273	0.3
147.23946	0.3
154.06371	0.3
175.14941	0.4
188.14987	0.3
195.13876	0.4
241.22296	0.3
246.32034	0.3
249.14940	0.5
255.17584	1.0
257.15497	3.7
269.11740	0.3
269.15384	0.5
280.14685	1.0
284.14105	0.4
287.16519	0.5
313.18021	1.7
315.16107	0.7
329.17780	0.6
331.19122	3.1
340.16714	0.7
344.16333	6.9
345.16687	0.7
355.19391	0.5
358.17929	0.9
373.20227	18.0
374.20541	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	374.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	9.7
59.01382	76.5
71.01392	20.7
71.40271	10.9
73.02975	8.8
84.04568	6.2
85.02956	64.4
86.03290	6.9
86.49991	5.9
89.02443	13.1
101.02492	14.5
113.02474	8.2
135.04587	11.3
147.02931	7.9
169.08693	13.0
171.04477	6.6
174.99272	10.1
179.03456	10.4
183.99309	24.2
184.99586	20.8
191.02026	22.4
198.13333	13.3
198.97974	10.5
201.11133	6.9
209.03001	16.4
213.07764	9.2
216.14281	9.9
217.00232	37.0
226.00314	41.8
227.00705	40.9
279.26364	6.9
313.10852	25.4
314.11188	100.0
315.11124	9.0
373.91690	7.5
374.15250	8.7
375.12915	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	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	100.0
61.98813	19.2
66.99449	18.6
69.37316	42.4
69.37721	55.7
71.01433	18.9
84.42633	16.3
91.92246	20.9
97.82130	18.7
217.00377	22.7
245.34486	19.8
270.64438	18.8
288.19806	39.3
343.15747	24.7
374.23325	23.9
375.18103	74.4
375.27527	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88094	11.3
57.38166	11.0
59.01380	78.9
61.98823	11.6
69.19399	19.8
69.19789	38.5
86.89151	12.9
98.22646	15.3
118.30642	12.0
161.02461	43.1
174.99245	29.7
197.83873	11.0
214.79631	10.5
217.00317	100.0
375.18094	17.1
381.72128	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02949	0.2
54.57143	0.2
59.01377	2.8
61.98817	0.3
80.73538	0.3
95.36107	0.3
101.06070	1.2
124.07623	0.4
174.99246	0.9
189.10402	0.5
217.00313	3.4
230.06284	0.3
232.10909	10.6
233.11293	0.8
289.17883	1.6
290.18762	2.6
316.16757	1.7
318.18533	0.4
331.15469	0.3
358.21320	1.1
374.24493	100.0
375.24823	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	375.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01382	3.1
67.01893	0.7
69.14330	2.4
70.29396	0.4
71.01393	1.3
85.02962	6.7
87.00890	4.8
89.02463	0.6
93.03467	4.6
101.02438	0.5
106.79449	0.4
107.05038	0.8
111.04526	1.6
117.03451	0.8
121.02953	0.8
121.06602	0.5
127.00208	0.7
127.04016	1.1
129.01959	0.8
132.02225	0.5
133.02968	12.4
134.03767	17.8
135.04539	65.2
136.04868	3.7
136.98607	3.2
137.02451	1.0
147.04575	0.5
155.03535	0.9
157.02762	1.0
157.05054	2.3
157.25143	0.5
161.02457	30.7
162.02832	1.8
163.03990	0.6
166.99658	1.3
173.04611	1.2
177.04033	0.4
178.02786	0.9
179.03514	39.1
180.03854	1.9
189.01709	10.5
191.02019	2.0
191.05629	7.3
201.01706	28.0
202.02094	1.2
209.03027	1.2
213.03911	0.6
215.03262	1.2
217.00314	1.8
231.04898	0.8
256.52936	0.5
375.06989	100.0
376.07364	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	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41007	0.6
51.65045	0.6
55.01880	2.5
57.03455	13.7
59.01382	7.4
62.46346	0.6
68.65656	0.6
69.12289	1.7
69.12700	2.2
71.01405	3.0
72.99323	1.5
73.02949	0.9
75.00872	2.1
75.34174	0.5
75.72060	0.6
83.01393	2.3
84.02168	1.3
85.02958	100.0
86.03295	1.7
87.00911	1.1
103.00362	0.8
111.00879	4.5
115.00394	0.7
129.01947	8.6
133.01393	0.7
136.16322	0.7
147.03000	13.2
173.00917	1.8
183.10258	2.5
191.01988	20.5
226.21007	0.6
257.14120	0.6
324.34988	0.7
375.12976	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
56.77935	0.5
57.03452	13.1
59.01385	7.5
69.35674	1.2
69.36060	1.0
71.01390	3.8
72.99321	1.3
73.02955	0.9
75.00878	2.6
83.01381	3.0
84.02175	1.2
85.02957	100.0
86.03288	1.9
87.00846	0.8
90.44836	0.5
101.02457	1.3
103.00396	1.7
111.00890	4.0
115.00404	1.1
129.01956	9.5
130.02267	0.6
135.64110	0.7
147.03003	12.9
148.03331	0.9
163.02492	0.6
173.00931	2.6
183.10298	2.2
191.01990	25.5
192.02304	1.4
255.61522	0.5
375.12906	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	375.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16609	0.3
57.03438	0.7
59.01387	4.0
60.18005	0.3
69.49335	0.3
71.01392	1.1
78.09261	0.3
83.01382	0.4
85.02960	3.8
89.02464	1.1
98.22712	0.6
101.02467	1.1
119.03504	0.4
129.01938	0.3
144.08218	1.5
145.07722	0.5
147.03015	0.4
159.86220	0.3
169.07773	0.8
171.10304	0.5
174.65410	0.3
179.03586	0.3
184.08809	3.1
185.07222	0.8
191.01964	0.8
197.05978	1.8
198.06743	3.6
212.08313	23.7
213.08653	2.2
217.00214	0.7
224.08322	0.5
240.06569	3.3
241.07332	12.1
242.07745	0.6
255.08905	100.0
256.09235	8.0
257.10455	1.0
267.08948	0.4
333.15387	0.5
375.12881	5.2
375.16800	0.9
376.13318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
57.03455	12.5
59.01384	69.8
62.90304	0.6
68.99818	1.3
69.03468	2.1
69.64822	1.3
69.65187	1.5
71.01390	34.3
72.99316	1.2
73.02957	9.5
75.00879	2.5
81.03479	1.2
83.01396	6.2
84.02179	1.9
85.02958	100.0
86.00117	0.9
86.03305	2.0
87.00870	6.9
89.02451	13.8
93.03439	1.1
95.01398	3.1
97.02949	1.7
99.00902	2.1
101.02456	17.2
103.00376	1.8
106.04269	0.8
107.05104	1.0
108.74754	0.7
109.02950	3.0
111.00907	5.2
111.08170	2.5
113.02454	12.7
119.03516	3.1
121.03003	2.5
122.03762	2.6
123.04544	5.2
124.01656	1.2
125.02439	2.0
125.09724	3.8
127.04032	1.2
129.01953	10.1
131.03508	8.7
133.02974	15.3
134.03755	14.3
135.04536	41.2
136.01678	1.5
137.02457	8.2
139.04060	2.7
139.07690	0.8
143.03516	1.8
147.03011	11.3
149.02454	2.0
149.04567	5.1
149.61783	0.7
150.03239	86.6
151.04047	9.3
151.11305	1.6
153.09259	5.5
161.02463	24.5
161.04587	1.0
161.06052	1.1
163.03989	1.0
171.10292	21.0
172.10594	1.8
173.00935	1.9
174.99236	2.7
175.03902	0.9
177.30350	0.8
178.02759	7.5
179.03514	51.7
183.10283	2.3
191.01993	21.9
191.05620	7.4
195.10313	0.8
201.07576	0.7
202.66454	0.7
203.03543	1.1
212.08345	3.1
213.11320	2.1
217.00291	8.2
233.06650	1.4
241.07396	1.7
255.08879	13.1
256.09161	0.9
297.11441	2.0
310.08795	7.5
310.58823	1.1
313.60251	0.8
315.14499	22.0
316.14813	2.1
333.15552	45.3
334.15857	4.5
348.93152	0.8
375.16675	68.2
376.10977	31.8
376.16949	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51791	0.5
55.01868	1.9
57.03440	1.2
58.00589	0.8
59.01385	61.4
68.99812	0.5
69.03425	1.0
70.72216	1.2
71.01390	19.3
71.50072	0.5
72.99316	0.7
73.02950	6.8
75.80129	0.5
83.01400	4.1
85.02954	8.7
86.00031	0.7
87.00890	4.5
89.02438	4.2
95.01385	1.9
97.02961	0.9
98.21986	0.6
99.00870	1.6
101.02450	11.7
111.00881	1.6
113.02467	5.7
119.03493	1.5
125.02468	1.0
125.09743	9.9
127.00383	1.4
133.02997	0.7
135.04498	1.8
153.09206	1.2
161.02409	1.7
171.10284	52.2
172.10602	2.6
185.11922	1.3
213.11360	1.6
240.99034	0.6
311.09433	1.2
315.14511	19.2
316.14886	1.7
333.15576	98.5
334.15921	8.4
361.31955	0.6
375.16632	100.0
376.17032	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03448	1.2
58.00602	0.9
59.01387	40.5
62.46212	0.6
70.70914	1.3
71.01387	12.5
72.19025	0.6
73.02960	4.2
83.01407	2.9
85.02954	5.4
87.00891	2.4
89.02464	2.8
95.01395	1.3
99.00899	1.6
101.02450	9.1
111.00854	0.8
113.02467	3.7
125.02485	0.9
125.09739	7.2
127.00417	0.9
127.11312	0.8
147.24623	0.7
153.09181	1.3
171.10280	39.1
172.10727	1.6
183.10318	0.9
183.53293	0.6
185.11833	0.8
213.11378	1.4
315.14502	16.5
316.14874	1.3
333.15576	78.0
334.16013	5.0
375.16620	100.0
376.16971	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66042	1.6
57.03449	7.5
59.01384	40.2
69.81245	1.3
71.01391	9.0
73.02953	4.6
74.09436	1.4
80.96498	1.8
83.01411	3.0
84.64955	1.3
85.02953	38.8
87.00877	1.4
89.02451	4.0
90.57665	1.5
98.22657	4.4
101.01804	1.3
101.02425	6.9
111.00896	1.5
111.08176	12.2
113.02456	3.0
119.40267	1.4
125.09728	10.7
127.00323	1.6
127.11307	1.6
129.01956	3.9
135.04526	3.8
147.03024	4.8
150.03252	1.9
161.02443	3.5
171.10283	100.0
172.10600	4.5
179.03450	3.1
191.01938	6.8
202.44878	1.5
213.11253	2.1
217.00334	3.6
225.11411	4.1
348.98007	1.7
375.12659	3.1
375.16629	12.5
376.17255	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03451	6.1
59.01385	35.8
64.98779	1.7
71.01397	10.4
72.99335	1.7
73.02956	4.6
83.01406	3.1
85.02956	28.6
89.02451	3.8
101.02472	6.0
109.06649	2.2
111.08179	11.8
113.02477	3.5
125.09704	10.8
133.02954	2.8
140.91943	1.6
145.26099	1.6
147.03033	3.7
161.02455	4.1
171.10284	100.0
172.10634	5.3
179.03539	3.2
191.02014	8.6
205.28287	1.5
211.96040	1.7
213.11188	1.8
225.11295	6.0
249.03508	1.6
311.09418	1.9
375.16449	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	375.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06976	0.6
59.01383	7.8
69.37019	0.6
69.70246	0.7
69.70596	2.4
71.01386	12.0
73.55167	0.6
96.96024	6.8
98.21951	0.9
99.92587	1.2
103.50946	0.6
110.32996	0.7
153.01741	0.6
161.02446	2.5
164.08452	1.5
174.99245	2.3
177.09222	3.8
190.09985	2.1
192.11568	8.5
193.12328	1.1
205.12366	3.5
217.00317	9.1
218.09523	2.3
220.14697	36.7
221.15469	100.0
222.15785	8.2
222.98267	0.7
236.10551	87.1
237.10896	7.5
292.11752	1.1
293.17621	40.3
294.17944	3.9
294.93137	0.8
315.15833	0.7
318.09650	6.4
321.15521	2.6
358.08673	1.0
374.99304	1.0
375.18045	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	375.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.57094	1.2
59.01381	11.5
63.96249	9.0
69.03444	1.4
69.51727	2.4
69.52111	3.1
70.86604	1.3
79.95740	18.2
80.96506	2.3
83.01389	15.4
85.02936	1.6
85.06578	1.5
109.02979	3.3
115.04014	2.2
123.04562	2.1
151.07628	3.3
174.99275	6.1
178.06436	2.0
189.05705	1.5
191.07469	5.0
209.53127	1.2
217.00334	17.6
217.08720	2.0
219.10168	1.7
227.10773	2.2
231.14070	1.6
232.10968	1.4
233.11761	1.9
241.12427	1.6
244.10822	1.9
247.13435	7.9
254.09525	3.9
255.10246	6.9
255.13860	2.0
257.11816	7.0
258.12555	3.1
259.13403	3.0
269.08078	1.4
269.11884	3.5
270.09653	1.7
270.12408	6.7
271.09778	5.3
271.13373	7.5
272.10550	4.7
276.13632	1.5
283.13409	3.7
284.10703	2.6
284.14087	4.1
285.11462	8.0
285.14276	1.8
286.12082	13.4
287.12943	16.2
287.16351	3.2
295.22705	2.1
299.09506	2.4
299.12930	7.9
299.16562	32.5
300.13580	4.9
300.16852	3.8
301.14450	1.6
314.11639	14.2
315.12369	12.1
315.16055	17.3
316.13000	2.9
316.16516	3.2
317.14008	4.6
328.13107	7.3
343.15515	39.8
344.15845	3.7
346.14243	26.2
347.14606	2.2
356.45804	1.4
375.18182	100.0
376.18460	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	375.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51377	1.4
57.03449	5.8
57.64792	1.4
59.01382	31.1
67.01908	2.3
69.50299	1.2
71.70223	1.3
73.02930	1.6
76.95289	1.2
85.06565	2.8
93.03465	1.4
95.05028	5.3
97.06580	5.0
101.30649	1.2
109.06563	1.9
123.04507	3.6
123.08165	1.7
133.52408	1.3
139.03960	1.2
148.04994	1.3
149.09645	1.3
151.07645	4.7
151.11282	1.4
165.05563	2.0
165.09222	5.5
174.99269	12.4
175.53445	1.3
187.73434	1.2
193.08710	5.1
203.07240	1.9
207.13901	3.7
217.00308	41.8
218.00803	1.4
218.09525	3.9
219.06581	1.2
235.09756	1.5
247.13394	1.8
251.13051	1.6
256.10843	1.6
261.11276	5.3
262.12067	1.9
269.08160	7.3
269.11725	1.5
271.13440	2.9
276.13742	9.1
284.10605	12.8
285.10986	1.6
287.09280	7.4
298.01117	1.3
299.12842	11.9
300.13431	5.7
302.11572	5.5
314.15250	1.9
317.13937	100.0
318.14267	13.3
329.17526	16.6
330.17911	2.6
357.17023	4.4
374.99033	2.3
375.18146	25.3
376.18246	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1817
Annotation	19-Hydroxysecochiliolide acid methyl ester
Peak:m/z	Relative Intensity
54.43775	0.7
55.01881	2.0
59.01380	11.1
69.03464	1.3
69.12930	0.7
69.95905	2.5
72.11993	0.7
72.13155	0.8
73.02967	0.8
73.38838	0.7
77.56441	0.7
77.86013	0.7
81.03465	0.9
83.01389	19.6
85.02953	1.7
85.06611	1.9
90.08559	0.7
95.01365	1.4
95.05022	0.9
97.06591	4.2
109.02964	3.1
111.00839	0.9
115.04017	3.2
119.05102	0.7
121.06597	3.1
122.03735	1.3
123.04546	4.0
123.08176	2.5
125.05899	0.7
133.06602	1.4
135.04510	1.3
135.08145	1.5
137.06090	0.9
144.05745	0.9
149.02379	1.2
149.06097	2.8
151.07655	5.5
155.29176	0.8
161.06090	0.7
165.09207	1.4
173.06032	1.9
173.09653	1.3
174.99277	3.1
177.05534	1.6
178.06337	1.6
185.06041	1.1
188.80327	0.9
189.05577	1.9
191.07237	1.2
193.05089	1.2
193.08691	3.1
193.12372	2.3
199.07715	0.9
201.09198	2.5
204.07932	1.2
208.91464	0.8
212.08379	1.0
213.09251	1.4
216.08073	0.9
217.00273	8.3
217.05072	1.0
217.08707	4.3
217.12259	1.0
218.00722	0.9
219.10237	2.9
226.10077	2.8
227.10747	4.8
229.08716	1.6
230.09428	0.9
231.10269	1.9
231.13896	1.0
232.11057	2.6
233.11957	3.9
234.12584	1.2
235.13426	1.9
239.07167	1.7
240.07930	2.3
240.11562	1.4
241.12381	3.1
242.09372	1.3
243.10213	3.8
243.13927	1.2
244.10977	1.0
245.08124	0.8
245.11800	1.8
247.13454	9.0
248.13992	1.0
249.14906	4.7
253.16064	2.0
254.09438	5.0
255.10281	7.3
255.13840	3.9
256.10706	1.5
256.14249	0.9
257.08017	1.8
257.11893	10.1
258.12469	2.6
259.13373	5.3
260.13669	1.1
261.14914	3.2
266.13092	1.8
267.10300	1.8
268.11044	0.9
269.11819	7.8
270.09451	1.3
270.12573	9.3
271.09796	9.7
271.13391	10.5
271.17017	2.0
272.10513	8.8
272.13705	1.7
281.15463	3.2
282.12637	1.5
283.13416	7.5
284.07410	1.3
284.10596	2.7
284.14151	4.4
285.11395	10.8
285.14423	1.4
286.12112	16.7
287.12927	25.2
287.16455	3.1
288.13254	2.2
297.14926	3.0
298.15588	1.9
299.09293	4.7
299.12958	7.4
299.16464	44.3
300.10300	1.6
300.13635	7.0
300.16959	4.2
301.14456	3.4
302.11792	1.0
302.15176	1.6
306.22220	0.9
313.10971	2.1
313.14532	1.1
313.18146	1.6
314.11624	23.8
315.12341	16.9
315.16058	28.7
316.13010	3.4
316.16580	4.9
318.11157	1.8
325.14465	1.2
327.12518	1.1
328.13162	6.3
329.13412	1.2
331.15512	1.0
331.19330	2.8
343.15506	55.0
344.15927	4.6
346.14215	35.0
347.14523	4.0
357.17224	2.0
360.15833	2.5
375.18149	100.0
376.18478	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	375.1816
Annotation	19-Hydroxysecochiliolide acid methyl ester
Peak:m/z	Relative Intensity
53.71111	0.6
55.01878	1.4
57.03455	1.1
57.20433	0.6
59.01382	5.6
67.01904	0.6
67.32424	0.6
69.03445	1.5
71.01372	2.5
71.40594	0.7
73.02967	1.4
79.07154	0.6
81.03461	0.8
83.01395	13.9
85.02959	5.8
85.06569	1.7
87.00877	0.6
87.04498	0.5
89.02441	0.7
95.01395	1.4
97.06609	2.7
99.00881	1.1
101.02455	0.7
109.02949	1.6
111.00875	1.4
111.04505	1.0
115.04042	2.1
121.02939	0.8
121.06609	5.2
122.03732	0.9
123.04549	6.3
123.08197	2.8
125.02402	0.9
127.04025	1.9
133.06627	1.0
135.04553	0.8
135.08229	0.8
136.05388	0.8
137.06133	0.8
137.09752	0.8
148.01624	0.9
149.02429	0.9
149.06093	8.2
150.06766	1.1
151.07684	5.2
157.05095	2.8
161.06056	0.9
163.07707	0.9
165.09239	1.9
165.12891	1.0
172.05341	0.7
175.07700	1.0
177.01907	0.9
177.05589	2.1
178.06329	2.8
181.08717	2.4
183.13947	6.0
184.14246	0.7
187.07651	1.0
189.05571	1.1
189.09254	0.9
191.01979	2.0
191.07191	1.3
191.10754	1.3
193.05070	1.6
193.08719	8.9
193.12428	1.4
197.15512	0.9
199.13409	2.8
200.08461	1.1
201.09239	1.3
204.07893	1.2
205.12379	0.8
207.14011	0.9
213.09254	1.0
215.10783	1.7
216.11652	0.6
217.00378	1.9
217.08676	3.4
217.12271	1.3
218.09494	0.8
219.10275	7.3
220.10841	0.6
226.10063	2.0
227.10744	4.1
227.12927	6.2
228.08095	0.9
229.08763	0.7
229.12190	1.1
231.13940	3.7
232.11063	5.8
233.11797	1.8
234.12605	2.6
235.13380	7.8
239.07208	0.7
240.08011	1.7
241.08563	1.0
241.12308	1.6
243.10231	2.7
243.14027	1.3
244.10927	1.0
245.11903	1.6
245.15422	1.1
246.12561	0.9
247.13419	7.3
248.14024	0.8
249.14992	4.8
253.08725	0.9
253.15829	0.8
254.09575	4.2
255.10248	8.3
255.13943	1.9
256.07300	0.7
256.10968	1.8
257.08279	1.6
257.11850	7.9
258.12518	1.9
259.13251	2.0
259.15549	5.0
259.19159	1.4
261.14963	3.7
263.08380	0.7
267.10226	0.7
268.10901	0.9
269.08646	1.0
269.11823	6.5
270.09479	1.0
270.12619	9.7
271.09787	5.9
271.13379	6.2
271.16916	1.4
272.10529	6.3
272.13965	1.7
273.15033	1.1
282.12582	0.9
283.13364	4.2
284.07089	1.0
284.10812	1.3
284.14182	4.9
285.11429	7.2
285.14441	0.8
286.12167	14.0
286.15442	1.2
287.12921	18.3
287.16385	2.1
288.13446	1.8
288.16757	1.0
297.14999	1.2
298.15775	0.9
299.09311	3.1
299.12958	5.6
299.16483	45.4
300.13641	4.0
300.16962	4.5
301.14432	3.4
302.15186	1.1
313.10806	1.2
314.11621	15.6
315.12341	13.8
315.16046	23.0
316.13004	3.4
316.16507	4.7
325.14417	1.0
328.13193	4.9
329.13580	0.7
331.15485	1.5
331.19174	4.7
332.16190	0.8
343.15518	42.3
344.15939	4.0
345.13519	2.1
346.14221	28.1
347.14566	3.0
360.15701	2.9
375.18140	100.0
375.27499	3.0
376.18466	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	375.1814
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
52.60834	0.6
59.01382	7.0
61.98819	0.6
75.20226	0.5
100.64180	0.5
101.83746	0.5
105.03484	0.6
110.63986	0.6
117.03491	1.0
132.02211	1.2
133.02974	21.6
134.03824	1.1
135.04535	25.0
135.19553	0.6
136.04874	1.1
161.02458	100.0
162.02800	4.5
174.99294	2.0
176.41177	0.7
179.03510	7.1
180.03941	0.5
183.13943	2.0
189.32397	0.6
195.13902	1.5
206.98933	0.5
213.14983	8.1
216.71623	0.5
217.00267	7.9
260.96741	0.6
357.17117	1.5
375.18124	31.4
376.18588	4.5
398.41528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72288	1.1
74.99078	2.0
79.63258	0.5
85.91476	0.5
86.40981	0.5
93.00101	0.8
143.05315	0.7
149.00990	1.0
159.07193	0.8
159.08488	11.0
161.06380	2.2
177.73029	0.5
209.01372	1.6
214.36703	0.6
217.07187	1.1
220.75116	0.5
261.04456	0.7
275.06018	1.3
277.07477	2.2
289.07690	1.3
291.09137	90.3
292.09253	12.9
309.10208	1.0
357.14020	1.4
359.15399	100.0
360.15509	13.9
369.38187	0.6
375.18515	4.9
376.18616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87685	0.4
60.20907	0.4
64.59903	0.4
70.95409	0.6
74.99082	4.5
85.77058	0.4
93.00140	0.9
143.05370	1.1
149.00986	0.7
159.08490	11.7
161.06407	4.0
192.98137	1.1
195.97237	0.5
209.01213	2.7
217.07246	2.0
261.04248	0.7
275.05978	1.0
277.07495	3.3
289.07614	1.9
291.09131	93.3
292.09250	13.4
309.10175	1.0
320.63251	0.5
357.13782	3.4
359.15381	100.0
360.15540	17.6
375.18561	6.3
376.18646	1.2
377.16599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88390	1.2
55.40360	1.4
56.32803	1.1
57.03444	1.3
58.02982	6.9
59.01384	14.2
66.03476	2.8
67.41447	1.1
68.67037	1.2
69.03580	2.9
69.03998	6.7
71.01402	1.5
71.05021	4.9
74.17275	1.2
74.99107	1.6
76.79974	1.2
80.38653	1.1
82.02995	6.1
83.05031	2.6
84.04562	3.0
84.07062	1.3
85.02958	1.3
94.02943	1.4
95.05034	1.4
97.02962	1.6
99.05637	3.7
101.02450	1.7
101.07220	2.6
107.03761	3.2
108.04611	3.9
109.02961	100.0
109.06596	1.8
110.03282	2.7
111.04523	5.9
120.04562	50.7
121.04910	1.7
126.05510	1.2
127.07712	1.5
127.08736	2.3
129.07306	1.4
134.06134	3.9
135.08206	2.7
135.98445	2.1
136.07629	2.6
148.07727	2.3
160.07689	3.4
161.10034	2.6
174.99284	3.1
175.10008	13.6
175.11241	1.6
176.10840	6.0
184.59164	1.2
188.10823	71.0
189.11177	4.7
189.12868	2.7
196.02530	2.5
202.12408	14.4
204.13945	6.5
213.14952	1.3
214.12276	1.5
217.00331	9.3
219.13823	2.1
221.16649	32.8
222.16978	2.7
228.13792	1.6
230.11990	3.0
230.15416	3.6
245.14255	9.0
246.14987	14.6
248.16676	1.8
253.44725	1.3
259.14600	3.0
260.16620	1.7
273.16092	13.0
274.16370	2.5
274.61682	1.5
287.16739	1.5
296.16476	1.3
313.19275	3.6
316.17953	6.7
331.20279	35.4
332.20493	2.3
375.15311	2.0
375.19269	57.8
376.19604	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83776	0.4
56.73434	0.4
57.03457	0.6
59.01384	100.0
59.55617	0.4
60.01722	1.2
63.26836	0.4
69.54552	1.0
69.54964	1.3
71.01383	6.3
73.02955	1.6
76.75329	0.4
83.01407	0.6
85.02962	5.6
86.03326	0.4
89.02458	3.8
98.08241	0.4
98.21888	0.6
99.00890	0.6
101.02451	2.9
107.05092	0.4
113.02467	2.4
119.03523	1.6
123.04570	0.9
127.40988	0.5
129.70946	0.4
151.11331	1.6
161.04575	0.9
171.02209	0.8
195.10258	3.1
333.19345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52520	0.1
55.01639	0.1
55.01884	1.6
56.02179	0.1
57.03453	1.2
58.00602	0.4
58.02976	0.1
59.01385	22.7
60.01713	0.3
63.80189	0.1
68.99823	0.3
69.03460	0.3
71.01388	13.2
72.01739	0.2
72.99318	0.9
73.02953	4.2
73.04064	0.1
74.03323	0.1
75.00879	0.4
81.03481	0.1
83.01396	3.2
84.02191	0.1
85.02958	6.8
86.00101	0.6
86.03323	0.1
87.00883	1.1
89.02454	4.7
90.02773	0.1
95.01400	1.3
97.02956	0.3
98.02499	0.1
99.00888	1.8
101.02452	9.1
102.02798	0.2
111.00887	0.8
112.01667	0.3
113.02461	3.7
115.05167	0.1
119.03508	1.4
123.04600	0.2
124.01667	0.5
125.02448	0.3
129.01952	1.0
129.10364	0.2
130.08733	0.1
131.03528	0.2
133.02969	0.3
135.04541	0.1
135.98351	0.3
141.01955	0.2
142.02721	0.2
143.03529	0.1
147.03038	0.1
147.04507	0.2
159.03032	0.2
161.02458	0.9
161.04526	0.1
164.07156	0.5
167.14394	0.5
168.11432	0.2
169.15930	0.1
183.13893	0.9
186.12479	0.4
189.47774	0.1
191.02077	0.2
195.13914	5.5
196.14317	0.4
197.15486	5.9
198.15836	0.3
209.15570	0.1
210.12479	0.3
211.11104	0.1
211.13377	0.3
212.13725	0.1
213.14978	26.4
214.15329	1.8
217.00291	0.1
225.14902	0.3
227.16528	0.3
233.16638	0.2
242.59953	0.1
255.16055	0.2
290.18674	0.1
299.16577	0.1
332.19824	0.1
357.19205	2.3
358.19354	0.2
375.20258	100.0
376.20657	10.5
376.24847	0.1
382.44479	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52520	0.1
55.01639	0.1
55.01884	1.6
56.02179	0.1
57.03453	1.2
58.00602	0.4
58.02976	0.1
59.01385	22.7
60.01713	0.3
63.80189	0.1
68.99823	0.3
69.03460	0.3
71.01388	13.2
72.01739	0.2
72.99318	0.9
73.02953	4.2
73.04064	0.1
74.03323	0.1
75.00879	0.4
81.03481	0.1
83.01396	3.2
84.02191	0.1
85.02958	6.8
86.00101	0.6
86.03323	0.1
87.00883	1.1
89.02454	4.7
90.02773	0.1
95.01400	1.3
97.02956	0.3
98.02499	0.1
99.00888	1.8
101.02452	9.1
102.02798	0.2
111.00887	0.8
112.01667	0.3
113.02461	3.7
115.05167	0.1
119.03508	1.4
123.04600	0.2
124.01667	0.5
125.02448	0.3
129.01952	1.0
129.10364	0.2
130.08733	0.1
131.03528	0.2
133.02969	0.3
135.04541	0.1
135.98351	0.3
141.01955	0.2
142.02721	0.2
143.03529	0.1
147.03038	0.1
147.04507	0.2
159.03032	0.2
161.02458	0.9
161.04526	0.1
164.07156	0.5
167.14394	0.5
168.11432	0.2
169.15930	0.1
183.13893	0.9
186.12479	0.4
189.47774	0.1
191.02077	0.2
195.13914	5.5
196.14317	0.4
197.15486	5.9
198.15836	0.3
209.15570	0.1
210.12479	0.3
211.11104	0.1
211.13377	0.3
212.13725	0.1
213.14978	26.4
214.15329	1.8
217.00291	0.1
225.14902	0.3
227.16528	0.3
233.16638	0.2
242.59953	0.1
255.16055	0.2
290.18674	0.1
299.16577	0.1
332.19824	0.1
357.19205	2.3
358.19354	0.2
375.20258	100.0
376.20657	10.5
376.24847	0.1
382.44479	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03451	1.0
58.00598	0.6
58.55186	0.4
59.01385	61.9
60.01737	0.5
68.99822	0.4
69.37185	1.8
71.01386	24.2
72.01741	0.5
72.99315	0.8
73.02960	1.7
83.01405	2.0
84.05388	0.4
85.02959	5.7
87.00922	0.5
89.02454	22.1
90.02849	0.6
95.01423	1.8
99.00915	0.5
101.02453	13.3
109.87357	0.4
113.02464	8.2
119.03510	6.8
123.04558	1.3
135.43523	0.5
183.13896	1.0
195.13921	9.4
196.14325	0.8
213.14961	4.8
217.00314	0.4
346.76025	0.5
357.19278	0.9
375.20273	100.0
376.20612	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
56.48722	0.7
57.03439	0.7
57.07170	0.6
59.01385	22.2
60.31675	0.8
67.50121	0.6
69.54529	1.3
69.54920	1.7
71.01392	12.0
73.02962	4.9
75.00892	0.8
80.74241	0.7
83.01392	2.4
85.02959	6.2
87.00888	1.6
89.02454	4.6
95.01401	0.9
95.33620	0.9
98.21912	0.9
99.00893	1.7
101.02454	8.0
111.00911	1.1
113.02456	3.5
119.03539	0.9
126.99852	0.7
183.13901	0.8
195.13867	5.3
197.15504	5.1
213.14986	26.1
214.15297	1.7
217.00270	0.8
248.50299	0.8
312.79544	0.7
353.00900	0.7
357.19302	2.2
375.20270	100.0
376.20627	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88165	2.0
59.01382	43.6
69.48624	4.4
69.49005	3.6
81.06384	2.0
95.05033	2.5
99.92643	2.8
102.64600	2.0
121.10253	33.7
130.07191	2.1
139.59303	2.1
145.43333	2.0
157.17320	2.2
171.10281	65.1
172.10730	2.5
185.11848	4.0
207.10141	2.5
225.22565	2.0
231.21242	5.2
259.34189	3.1
275.20178	100.0
276.20572	13.5
278.11349	9.0
293.21265	82.3
293.24603	2.5
294.21417	12.4
297.18457	4.8
315.19458	49.9
316.19778	8.4
375.21494	27.7
376.21393	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.4
66.81192	1.1
69.03468	1.1
69.10793	8.6
76.64116	1.1
95.04435	2.1
95.05037	37.4
98.22613	2.9
99.92576	2.5
124.55740	1.0
125.10899	1.1
150.03088	1.8
179.14339	1.2
189.14709	1.2
195.13892	10.7
196.14551	1.8
217.00198	1.1
223.13385	7.8
246.12390	25.6
247.12634	1.8
256.13187	3.0
275.20172	5.2
278.11386	68.3
279.11725	5.0
293.21262	100.0
294.21634	11.1
315.19434	14.6
316.19754	2.5
320.70605	1.2
338.12411	2.0
339.12592	1.1
375.21490	3.9
388.81998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84140	1.8
57.03454	9.1
59.01384	33.3
69.54758	1.9
70.32156	4.6
78.39520	1.8
78.63589	1.6
78.95949	2.9
113.09733	23.6
121.06626	3.4
121.10248	2.4
139.11279	3.2
146.64917	1.9
167.10764	3.5
171.10297	3.5
171.26427	2.2
195.13908	2.6
215.14326	1.7
216.98286	1.9
217.00276	8.6
217.12233	3.4
249.22339	2.4
263.58694	2.0
275.20233	4.5
293.21249	98.2
294.21625	8.2
295.45694	2.2
315.19409	100.0
316.19711	14.9
317.21304	3.3
375.16989	3.3
375.21320	5.0
395.13400	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01383	14.3
70.11259	2.0
77.81091	0.8
84.02087	0.7
97.06600	0.8
107.65790	0.7
111.67657	0.8
123.08157	1.0
125.09756	4.1
141.12852	1.6
149.09743	1.5
165.20827	0.9
185.11829	9.4
197.11827	3.3
217.00293	1.3
247.20589	0.8
249.22336	1.2
293.21243	100.0
294.21600	10.8
315.19431	32.8
316.19839	2.9
375.21262	3.6
375.69754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.218
Annotation	Asterolaurin D
Peak:m/z	Relative Intensity
59.01385	74.6
70.20461	4.0
75.14278	1.7
81.07095	2.1
84.60370	1.8
84.91470	1.6
85.02943	2.3
120.07608	1.7
147.90807	1.8
171.11874	2.0
174.99226	7.0
215.10638	4.7
217.00316	25.9
232.10938	3.7
233.11339	5.6
275.12976	22.5
284.07449	1.9
315.19476	4.2
374.99515	1.8
375.21664	100.0
375.25311	33.2
376.21423	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	376.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11142	2.1
55.01875	3.3
57.03444	11.6
59.01386	69.9
69.58128	6.8
71.01394	19.3
73.02953	7.0
83.01386	3.3
85.02960	100.0
85.03482	5.2
86.03297	10.5
87.00882	5.5
89.02459	10.6
101.02445	14.4
111.00867	3.2
113.02431	14.2
129.01967	8.5
131.03439	4.0
133.02963	6.7
135.04526	15.3
147.03012	8.9
150.03223	16.1
161.02451	8.1
161.04657	3.0
171.10291	41.6
172.10649	10.4
179.03526	22.4
191.01920	18.4
191.05652	3.0
192.02341	4.4
215.13034	3.2
257.13004	11.4
316.14847	4.7
317.16147	2.7
333.15601	6.4
334.15897	33.5
335.16269	2.7
340.88559	2.7
359.17065	2.5
376.10837	5.4
376.16974	42.1
376.61084	3.7
377.12015	13.5
377.18213	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.0
59.01385	67.7
61.21354	3.3
61.30389	3.1
68.99854	3.9
69.41370	3.9
71.01401	14.5
71.05043	10.3
80.82166	3.3
83.01407	4.1
83.05033	34.6
85.02954	8.3
93.99410	3.7
97.06631	4.1
98.81572	3.6
115.00353	5.6
124.03968	3.9
125.02501	5.5
125.26758	3.6
127.04042	4.6
135.04477	6.5
139.07651	3.8
163.84351	3.5
183.13887	4.2
193.08766	4.5
210.69502	3.5
211.13416	100.0
217.08638	5.2
232.11026	3.9
238.22446	3.9
247.13429	12.1
254.09514	11.6
257.08331	3.9
259.13461	5.6
271.13400	12.8
272.10605	28.8
285.11288	6.1
287.12848	23.7
299.16373	7.2
304.46573	3.7
305.13968	72.1
315.16125	17.7
316.16403	9.3
317.17545	6.3
359.14981	8.3
376.18265	16.5
377.19714	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	376.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
78.20526	18.5
82.34460	18.9
119.99760	20.0
210.32578	21.0
249.77196	18.8
376.25250	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	377.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98190	1.7
57.03434	2.5
59.01381	26.0
59.63100	1.8
60.32542	1.8
67.50330	1.9
69.45777	9.1
71.01379	19.9
72.67529	1.7
73.02951	3.3
83.01382	2.1
83.48170	1.6
85.02945	14.2
89.02449	7.0
89.82041	1.8
96.09309	1.8
101.02419	5.9
119.03528	3.1
133.02965	32.9
135.04561	17.8
139.20424	1.9
145.05048	2.1
154.92482	2.1
161.02460	100.0
162.02789	5.1
163.06181	2.4
177.01997	3.4
179.03477	27.9
180.03940	2.1
191.02078	2.3
197.08273	2.5
215.09299	1.8
217.07802	1.8
271.02509	7.0
299.01868	5.3
300.02853	10.8
301.03314	4.1
304.06927	4.4
341.08743	31.4
342.08990	3.0
377.09741	9.9
377.14331	4.8
377.59882	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	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.9
59.01383	81.5
71.01391	53.1
72.99315	15.1
73.20427	4.6
75.42390	5.1
82.73055	5.1
85.02962	100.0
89.02464	56.7
90.78786	4.3
101.02474	23.3
110.23486	4.2
113.02491	15.1
115.00376	7.7
119.03512	18.3
119.05077	5.8
125.00992	5.6
126.73045	4.7
141.01706	14.4
143.03551	7.1
147.03004	11.9
150.26707	4.7
154.99594	7.4
161.04605	14.6
170.80144	4.7
179.05624	40.5
191.02023	35.9
197.08244	6.2
213.00180	18.1
215.03337	16.3
231.01306	26.0
239.98006	5.0
242.91576	4.5
262.06104	7.3
279.10919	11.1
341.10938	95.2
342.11334	7.2
344.04388	4.9
377.08575	48.7
377.14270	8.6
378.07245	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	377.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03457	13.2
58.68754	0.6
59.01385	8.4
68.76878	0.5
69.40581	2.4
71.01402	4.0
72.99309	1.5
73.02943	0.5
75.00877	1.8
83.01380	2.7
84.02174	1.3
85.02960	100.0
86.03300	2.0
87.00887	1.1
89.02448	0.7
99.00900	0.7
101.02455	0.9
103.00376	1.4
111.00903	4.4
115.00418	0.8
123.08144	1.5
129.01956	9.1
133.01399	0.6
141.09276	0.6
147.03023	10.1
150.03281	1.0
161.02509	0.7
173.00946	2.3
179.03477	1.2
185.08261	2.9
190.53404	0.6
191.01991	37.9
192.02365	1.5
197.08527	0.5
209.03091	2.2
226.33885	0.8
316.46695	0.5
338.87073	0.5
359.09982	1.5
377.10919	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	377.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59799	0.4
53.17433	0.4
55.01882	1.9
57.03456	12.8
59.01383	8.0
68.99858	0.7
69.67847	0.7
69.68220	0.8
71.01397	2.6
72.99314	0.8
74.08144	0.4
75.00887	0.9
81.69974	0.4
83.01395	1.9
84.02180	0.8
85.02959	100.0
86.03299	1.6
87.00891	1.2
88.23524	0.4
89.02461	0.6
98.21938	0.8
99.00804	0.5
101.02451	1.0
103.00380	1.3
111.00881	2.7
115.00397	1.2
123.08171	1.9
129.01968	10.6
135.04497	0.8
141.09283	0.6
141.27650	0.5
147.03018	9.0
173.00923	2.8
179.03468	0.6
185.08221	3.0
191.02003	37.8
192.02274	1.5
209.03093	2.0
341.08990	0.6
359.09961	1.2
377.10950	7.8
378.11136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1426
Annotation	Abafungin
Peak:m/z	Relative Intensity
63.13851	0.6
76.04122	0.6
76.53523	0.6
84.93870	4.1
99.92593	75.0
100.92618	3.9
100.93372	16.1
101.93410	0.8
115.21344	0.6
115.92088	28.9
116.92870	100.0
117.92877	6.5
229.28032	0.6
272.99887	0.6
277.21713	2.0
290.06250	1.2
299.05917	1.1
308.07257	3.4
309.07437	1.3
333.15268	1.3
338.53906	0.6
359.13486	3.1
373.11136	3.2
374.11621	1.4
377.14276	47.5
378.14569	8.3
391.12250	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	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
56.79906	0.6
57.03178	0.8
57.03452	13.2
58.59009	0.5
59.01383	7.3
71.01393	3.1
72.99310	2.3
73.02967	0.8
75.00883	2.3
77.92197	0.5
83.01400	2.2
84.02186	1.2
85.02956	100.0
86.03293	2.6
87.00884	1.0
89.02448	0.7
101.02446	1.5
103.00375	0.8
111.00874	4.9
115.00402	1.3
129.01950	6.2
147.03018	10.8
173.00914	1.7
185.11821	3.0
188.02094	0.6
191.01991	19.1
192.02356	1.5
198.32765	0.6
257.83954	0.7
323.00119	0.6
377.14691	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03452	13.3
59.01383	8.0
67.62327	0.4
69.17002	2.4
71.01403	2.2
72.99321	0.9
75.00883	1.1
78.63265	0.5
83.01399	1.9
84.02171	1.9
85.02959	100.0
86.03296	1.7
87.00894	0.8
98.21885	1.0
101.02489	0.9
103.00394	1.3
111.00882	3.1
115.00410	0.6
129.01958	10.1
147.03014	13.5
173.00928	1.9
185.11835	2.4
191.02005	23.5
192.02376	0.9
308.92700	0.5
335.34235	0.5
359.13391	0.6
377.14551	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	377.1457
Annotation	Lamiol
Peak:m/z	Relative Intensity
57.03452	4.5
59.01383	100.0
61.42338	1.0
69.03452	2.6
71.01388	61.8
71.40565	1.3
72.99322	4.9
73.02972	2.3
81.03481	1.7
83.01402	2.3
83.05020	7.5
85.02959	38.1
87.00891	2.5
89.02451	80.1
93.03447	1.3
95.01406	3.8
95.05025	8.2
96.05386	1.3
97.02966	3.8
99.00903	1.7
101.02448	25.5
101.06134	1.6
105.03495	3.9
109.06589	3.3
111.04531	25.9
112.04841	1.3
113.02456	48.8
114.02767	1.8
119.03512	29.3
121.02966	2.4
121.06572	1.0
122.03720	1.4
129.05637	1.1
131.03543	3.2
133.02971	23.3
133.06651	2.0
135.04555	4.7
137.06117	2.5
139.04030	28.4
141.05606	1.3
143.03491	5.5
147.95131	1.2
149.04588	3.1
151.07655	9.5
152.07965	1.2
153.05585	10.2
157.05119	6.8
161.02466	5.6
161.04582	5.5
161.06010	1.9
171.06642	7.9
175.07664	1.9
177.01933	8.9
179.03571	1.3
179.03963	1.7
179.05621	15.8
179.07175	28.5
180.07426	1.3
193.08839	1.1
197.08199	40.1
198.08559	2.3
215.09245	35.0
221.08214	4.1
253.17934	1.0
264.69797	1.1
327.62369	1.2
334.44626	1.1
341.08713	1.4
377.14471	16.1
378.15131	1.5
383.15387	1.0
392.43134	1.1
400.50592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33955	1.1
53.60789	1.0
57.03448	5.6
59.01383	100.0
59.51696	1.1
60.01685	1.4
69.03467	3.5
69.46514	5.3
71.01389	63.5
72.77418	1.0
72.99333	6.6
72.99650	1.3
73.02927	1.4
81.03445	1.5
83.01400	2.3
83.05031	8.1
85.02955	37.4
86.03294	2.2
87.00890	2.1
87.37533	1.2
89.02453	76.1
95.01374	4.2
95.05045	7.3
97.02952	2.7
99.00867	3.4
101.02448	26.2
105.03466	3.4
109.06591	3.1
111.04536	24.8
113.02459	47.2
113.03262	2.4
119.02654	2.3
119.03509	34.7
121.02937	1.6
123.04521	1.5
131.03534	2.7
133.02977	18.5
133.06570	2.5
135.04520	3.6
137.06058	1.5
139.04018	28.2
143.03520	6.3
143.07144	1.4
149.04520	1.8
151.07652	9.6
153.05577	11.0
157.05087	8.4
157.06206	1.6
161.04576	5.5
161.05992	2.7
163.04031	1.6
164.04758	1.4
171.05220	1.3
171.06577	6.4
175.07626	2.6
177.01941	7.5
179.05591	14.7
179.07150	29.5
197.08205	37.8
198.08525	2.7
215.09245	36.1
216.09567	2.9
221.08247	2.3
284.06363	1.5
295.43814	1.3
377.14597	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	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03452	13.3
59.01383	8.0
67.62327	0.4
69.17002	2.4
71.01403	2.2
72.99321	0.9
75.00883	1.1
78.63265	0.5
83.01399	1.9
84.02171	1.9
85.02959	100.0
86.03296	1.7
87.00894	0.8
98.21885	1.0
101.02489	0.9
103.00394	1.3
111.00882	3.1
115.00410	0.6
129.01958	10.1
147.03014	13.5
173.00928	1.9
185.11835	2.4
191.02005	23.5
192.02376	0.9
308.92700	0.5
335.34235	0.5
359.13391	0.6
377.14551	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	1.5
69.61133	2.9
71.01373	3.5
73.02910	0.8
78.95924	1.3
85.02950	2.3
89.02445	2.6
91.05513	0.7
91.50833	0.7
101.02454	2.3
105.39231	0.8
113.02440	4.9
119.03499	0.8
131.03506	1.5
133.02975	1.8
135.04550	11.4
155.10802	72.7
156.11082	3.3
161.02441	3.9
179.03516	7.2
197.11830	1.3
261.05859	1.6
311.09375	1.7
311.59848	1.3
341.10934	0.9
377.11389	8.7
377.61780	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	1.5
69.61133	2.9
71.01373	3.5
73.02910	0.8
78.95924	1.3
85.02950	2.3
89.02445	2.6
91.05513	0.7
91.50833	0.7
101.02454	2.3
105.39231	0.8
113.02440	4.9
119.03499	0.8
131.03506	1.5
133.02975	1.8
135.04550	11.4
155.10802	72.7
156.11082	3.3
161.02441	3.9
179.03516	7.2
197.11830	1.3
261.05859	1.6
311.09375	1.7
311.59848	1.3
341.10934	0.9
377.11389	8.7
377.61780	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	377.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.8
61.98833	6.4
66.29083	1.6
67.89108	1.3
69.24506	7.8
81.07101	2.3
90.57413	1.3
93.44527	1.5
108.72263	1.3
113.01250	1.3
115.49414	1.3
219.05011	1.4
273.71793	1.3
279.56024	1.4
289.21814	2.1
299.20319	2.3
301.21637	2.5
317.21286	7.3
319.22800	100.0
320.23102	13.6
377.18750	85.5
377.23383	11.7
378.19058	12.4
378.23572	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	377.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04265	0.4
57.03452	0.5
58.45037	0.4
59.01384	100.0
60.01723	1.1
69.35744	0.7
69.36086	2.2
71.01392	3.0
72.05902	0.4
73.02962	1.5
83.01428	0.8
85.02957	3.9
98.22664	0.8
101.02449	2.0
101.55943	0.4
113.02486	1.3
134.03809	1.0
135.04559	3.2
142.91879	0.4
161.02477	1.2
161.04619	0.5
167.92329	0.4
179.03540	2.2
179.04926	0.4
191.02046	0.5
193.05093	0.5
217.51653	0.5
239.94974	0.4
311.09634	1.2
315.16034	0.9
317.20026	0.5
335.20804	1.7
377.11700	2.4
377.20941	0.5
377.62051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
56.59677	0.4
57.03445	1.6
59.01091	0.8
59.01387	15.2
63.35303	0.4
63.96244	1.3
69.03459	1.1
69.06572	3.4
69.70789	0.4
71.01387	12.5
72.99303	0.9
73.02948	3.8
78.95876	1.0
83.01401	2.7
83.05035	1.0
85.02970	6.6
87.00883	1.8
89.02463	1.5
95.01379	1.3
97.02974	0.6
99.00888	1.6
101.02450	7.4
105.92694	0.4
111.00895	1.8
113.02428	2.7
119.03488	0.4
123.00873	0.6
124.01674	0.7
125.02439	1.8
135.04536	0.9
136.97028	0.4
142.97005	0.5
152.99583	1.1
169.16034	0.5
172.22137	0.5
173.06024	0.5
191.10934	0.4
197.15479	1.8
197.24112	0.5
203.10631	0.5
211.13426	8.0
215.07326	0.5
215.16539	29.7
216.16884	2.5
217.08618	0.6
218.09476	0.4
229.18155	0.9
231.10268	3.7
232.10974	0.9
243.14037	0.6
245.55658	0.6
246.09135	0.7
246.12592	2.4
247.13406	1.6
257.11694	0.5
257.17636	0.5
259.13412	0.5
261.14975	6.0
271.13327	1.8
273.15332	0.5
300.13596	1.6
315.16129	5.2
315.52551	0.5
316.16379	0.8
333.13501	3.7
334.13690	0.5
341.10898	0.5
345.15622	0.6
359.15063	2.1
359.20743	3.3
377.21820	100.0
378.22171	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	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48116	0.6
51.21407	0.8
57.03460	0.7
59.01385	19.0
60.18203	0.7
69.99980	2.1
85.84129	0.8
99.08209	0.8
125.09709	1.1
141.12881	1.3
151.11314	1.1
171.10286	34.3
172.10622	1.7
191.06958	1.1
193.08650	0.8
249.22192	1.0
265.14896	1.2
277.21750	41.3
278.22122	4.6
295.22800	100.0
296.23175	12.2
317.21014	34.5
318.21320	4.0
333.22949	1.1
360.14105	0.7
362.94028	0.8
367.12488	0.7
377.23001	22.1
378.23306	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	377.2336
Annotation	Epoxyisolinearol
Peak:m/z	Relative Intensity
57.03452	2.0
59.01384	100.0
61.98823	3.0
69.01940	0.8
70.14737	1.5
76.97138	0.8
81.07079	2.4
81.13796	0.9
123.70235	0.8
142.40305	0.9
181.23674	0.8
219.97775	1.1
299.20157	6.0
300.20905	1.2
304.78897	0.9
310.03711	0.8
317.21222	16.6
318.21564	2.5
319.22955	1.4
341.11014	1.2
359.22159	1.0
377.19543	0.9
377.23343	24.4
378.23669	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2339
Annotation	Asbestinin-26
Peak:m/z	Relative Intensity
51.42266	1.7
55.47670	1.5
57.03433	1.9
59.01384	100.0
59.10116	1.6
60.54184	1.6
61.98832	4.1
63.28992	1.5
63.63713	1.8
66.47343	1.6
71.01356	1.8
102.05613	4.5
129.98619	1.7
161.02353	2.2
197.11836	8.9
201.25452	1.7
219.10112	3.2
274.54953	1.9
298.08044	1.7
309.20636	7.8
317.21188	22.3
333.31439	1.8
335.22238	3.6
362.87512	2.0
377.19156	2.7
377.23343	47.5
378.19144	3.2
378.23151	3.8
378.27109	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	377.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08805	0.5
59.01384	100.0
60.01711	0.8
61.98835	1.3
66.61545	0.5
69.26383	2.9
69.79131	0.5
73.62820	0.6
81.07114	1.5
94.85576	0.6
97.02956	0.7
98.22666	1.1
107.37425	0.5
163.11288	0.8
179.67517	0.6
250.78566	0.5
291.19559	3.0
309.20709	2.7
317.21182	5.9
318.21457	0.6
377.19455	1.2
377.23355	21.1
378.19351	1.0
378.23679	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	378.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98835	100.0
69.30390	0.8
69.52808	3.2
71.01382	5.0
91.97800	0.8
98.22662	1.4
101.98095	5.4
127.73223	0.9
155.99138	3.3
177.09236	3.2
192.11566	5.2
194.81767	0.8
204.03366	0.8
205.12363	1.3
218.09515	2.0
219.97914	1.0
220.14703	36.0
221.15460	56.0
222.15790	5.1
231.17538	1.8
236.10556	44.3
237.10887	4.6
275.16553	3.9
293.17612	9.5
294.18124	1.2
305.12576	3.4
306.13232	2.5
360.14334	6.7
377.62021	1.2
378.15338	42.1
379.15689	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	378.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80082	0.2
59.01383	2.0
61.98836	100.0
67.22031	0.2
67.27438	0.3
69.50692	0.4
69.51097	0.8
93.03482	0.3
157.99660	0.2
162.97993	0.2
195.13966	0.3
223.13451	0.2
231.65947	0.2
252.03792	0.3
293.21262	2.2
294.21753	0.7
319.22949	0.5
341.09650	1.4
378.19040	2.9
378.23517	0.3
379.20264	0.3
379.24734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.3
61.98830	14.5
65.03962	19.4
66.20745	6.7
69.03464	64.1
69.69241	25.7
81.00522	6.8
83.05029	86.0
83.48683	7.8
95.04988	12.1
95.41660	8.7
96.97620	6.9
109.02906	8.3
113.02470	49.8
123.08157	11.1
127.04019	29.5
136.43199	7.0
151.07663	77.7
159.96419	7.3
165.09189	9.4
201.09344	8.6
231.10220	9.8
235.13373	21.1
258.12671	15.0
259.13257	14.0
261.14932	100.0
273.15009	22.4
288.13663	25.5
299.16620	31.3
302.15292	17.2
317.17505	79.4
333.67749	7.8
343.15466	9.0
352.93933	8.0
361.16544	62.4
379.17554	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50004	7.0
52.69630	7.2
57.69198	6.9
59.01370	16.6
61.98833	11.7
65.31387	7.7
65.81638	7.7
68.22872	7.7
69.03465	19.8
70.90121	6.9
81.03460	11.3
83.05029	86.4
85.02997	8.1
97.06579	13.2
98.21915	20.5
113.02462	27.9
127.04009	10.1
139.07617	8.4
149.06075	7.8
151.07635	24.7
161.00902	6.8
165.09239	11.0
182.32462	7.1
201.09212	9.2
217.08643	9.5
229.08603	11.5
244.11046	13.8
245.11746	26.0
247.13411	100.0
259.13434	47.1
261.14893	29.8
267.36420	7.0
288.13632	14.8
299.05585	10.5
299.16595	12.3
302.15332	98.9
317.17645	61.5
361.16470	31.0
379.17569	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	379.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58846	1.7
57.03452	3.5
59.01385	6.9
69.38197	9.7
71.01386	5.2
72.99317	100.0
73.02950	2.6
74.99110	10.3
75.00866	2.6
78.91899	22.0
85.02962	20.2
86.99123	8.1
87.00890	7.5
91.02220	1.9
93.03452	2.6
95.05061	4.3
96.96033	4.1
97.02955	5.3
98.21917	3.5
99.04532	2.3
101.00694	5.6
102.98634	2.7
107.05043	30.5
108.02180	2.8
109.02975	4.8
111.04559	6.8
113.02449	3.4
118.98085	4.9
121.03017	3.5
121.06590	3.3
123.04529	17.6
129.01912	2.1
129.03792	5.4
133.06612	6.7
135.04544	6.8
147.02953	1.9
147.04526	16.7
147.17697	1.8
149.06093	4.4
151.04066	2.0
155.01759	4.4
157.03340	8.1
157.06596	2.4
161.06110	6.8
165.03813	8.2
171.08139	3.9
172.49802	2.2
173.09694	8.1
175.03951	2.8
183.08215	5.0
185.06099	4.5
185.09773	5.8
186.06859	3.0
187.07721	3.9
187.11308	4.6
191.01945	6.3
194.94672	2.3
197.06100	5.7
197.09720	4.8
198.06880	3.8
199.07677	7.5
199.11319	3.0
201.09227	31.6
207.08224	1.9
209.09729	6.4
211.07693	3.8
211.11275	12.8
212.04863	4.0
213.09290	12.7
215.10825	2.0
217.08748	7.8
221.09750	6.6
225.05655	3.5
225.09222	11.1
226.06468	2.4
227.07166	8.6
227.10699	10.9
228.07867	3.7
229.08781	6.7
237.09251	4.4
238.06354	2.2
239.07207	3.8
239.10809	19.6
241.08772	3.3
243.10312	13.9
253.08730	19.1
254.09007	2.2
255.10310	12.5
257.11832	3.6
259.09796	3.7
263.03809	2.2
263.12869	4.5
265.08694	11.4
271.09894	17.7
273.05896	2.8
273.09433	3.8
274.87140	4.0
283.07010	1.4
283.09793	42.0
284.10071	3.3
287.07568	7.4
289.09039	5.4
299.07581	3.6
305.08646	6.1
315.08701	4.8
317.08597	31.3
318.08746	2.7
318.86224	5.2
336.87082	3.3
343.06558	3.7
361.07553	49.1
362.07898	6.3
379.08685	42.5
379.13675	4.3
379.17920	2.9
380.09161	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87218	2.3
55.01871	4.5
57.03448	5.4
59.01377	9.8
69.03461	7.9
70.18723	2.2
70.83804	2.6
71.01384	39.3
81.03463	2.7
83.05032	61.2
84.05376	2.8
85.02947	11.5
95.05054	4.4
96.96030	11.8
97.02967	10.5
97.06591	8.1
99.00877	18.2
105.07082	4.0
107.05027	2.7
108.05829	4.6
109.02973	5.3
109.06601	6.6
111.00873	3.0
111.04562	9.1
111.08128	3.1
113.02443	16.0
113.06108	8.4
115.00381	27.4
121.06557	2.7
122.03736	5.5
123.08158	10.1
123.09134	2.0
125.06080	21.7
127.04018	8.4
129.15955	2.3
134.03802	2.5
135.04565	3.0
135.08159	3.5
136.05331	6.9
137.06128	7.6
138.06880	16.7
139.07690	30.7
148.05348	4.2
149.06050	6.9
149.09750	2.9
149.95522	2.1
150.06915	3.1
151.07681	65.2
152.04794	9.5
152.08438	20.8
153.09235	26.4
161.09724	3.0
163.07671	9.4
165.09232	8.5
175.81558	2.5
179.10837	3.4
186.10529	2.6
189.09326	3.8
193.08664	2.9
201.12871	15.4
203.10779	11.6
204.11601	27.9
219.10480	3.4
219.13914	56.2
220.14299	5.9
229.08675	2.9
232.11115	2.6
244.10959	4.2
245.11852	9.2
247.13435	17.7
251.13000	3.3
259.13300	11.6
261.15067	6.1
263.12900	100.0
264.13257	7.4
284.14011	2.8
287.12900	3.0
288.13681	9.5
291.40991	2.4
299.16495	18.3
302.15201	14.4
317.17459	22.2
343.15344	3.9
361.16599	13.9
379.13452	2.9
379.17908	26.5
380.13599	2.8
380.17944	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	379.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64542	0.9
65.81241	0.9
69.40150	3.7
83.93085	1.3
84.93883	4.7
92.47635	0.9
98.74429	0.9
99.92590	93.0
100.92601	5.4
100.93364	24.8
100.93925	0.6
113.83072	1.0
115.92082	39.7
116.92866	100.0
117.92903	5.6
117.93612	1.3
140.35297	0.9
141.03513	0.9
153.06239	0.9
170.93944	2.6
212.03914	0.9
218.87199	1.0
231.21089	0.9
249.22348	1.4
273.78308	1.0
283.42395	1.1
351.68845	0.9
361.14661	2.1
375.12631	1.6
379.15833	40.7
380.15887	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	379.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.6
69.68996	1.4
74.44181	0.4
84.93871	6.1
99.92596	70.0
100.92609	4.1
100.93371	13.6
100.94046	0.6
101.93376	0.9
104.38173	0.4
114.14978	0.5
115.92091	25.0
116.92872	100.0
117.92905	6.5
141.12886	0.4
142.94484	0.7
225.78838	0.4
279.23376	0.9
283.46646	0.5
284.03397	0.5
295.08710	0.5
299.02170	0.6
299.05518	1.0
335.17026	0.9
347.25888	1.0
349.14630	0.5
361.14673	0.9
367.15677	0.6
375.12619	1.4
376.12994	0.6
379.15842	37.5
379.28568	9.6
380.16074	6.1
380.28741	0.6
393.13745	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03446	1.4
58.00591	1.5
58.26247	1.1
59.01385	100.0
60.01715	1.3
62.74287	0.9
67.60648	0.9
71.01391	60.8
71.05024	1.8
71.39943	1.1
72.01713	1.1
72.99329	2.0
73.02937	1.4
75.44312	0.9
81.03471	1.3
83.01387	1.6
85.02966	10.7
87.00878	3.1
88.04059	1.6
89.02451	77.0
95.01402	3.9
101.02451	31.5
102.02786	1.1
113.02460	21.9
119.03515	33.3
119.04922	1.6
120.81715	0.9
125.02522	1.3
131.03526	4.1
139.07657	5.5
143.03522	7.1
146.08257	10.4
149.04578	2.4
151.07658	3.5
161.04530	7.4
179.05623	31.1
180.05925	1.1
188.43420	1.0
199.09708	1.2
217.10849	6.0
299.01941	1.4
308.13449	1.6
341.10806	1.9
345.87369	1.1
379.08426	1.2
379.16144	24.9
380.15686	22.6
383.10867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03450	2.8
59.01384	98.6
60.01714	1.5
69.10812	8.4
71.01389	45.8
72.99313	2.0
73.02961	2.7
79.13911	1.3
83.01410	3.0
83.05048	4.4
85.02964	16.0
89.02453	41.0
95.01403	5.0
98.21906	3.0
99.00889	1.9
101.02454	27.8
113.02464	15.2
114.02737	1.1
119.03516	18.1
131.03502	3.0
137.09738	12.9
143.03479	1.8
149.04565	5.0
155.10799	39.0
156.11130	3.0
160.12216	1.4
161.04553	2.4
179.05664	3.4
181.08737	5.6
199.09784	63.3
200.10109	2.8
206.29376	1.2
217.10825	7.6
247.11861	3.5
346.29733	1.2
355.40625	1.2
379.16125	100.0
380.16544	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03453	13.1
57.06569	1.0
59.01383	8.5
68.99815	1.2
69.35766	3.6
71.01373	3.7
72.99313	1.6
73.02969	1.0
75.00884	1.7
83.01389	3.4
85.02956	100.0
86.03285	1.8
99.00877	3.8
101.02454	1.4
103.00377	2.6
111.00884	3.9
129.01955	10.7
145.98576	1.0
147.02997	13.0
149.64236	0.9
159.40129	0.9
169.57143	0.9
173.00897	2.0
187.13416	5.5
191.01985	30.3
200.15381	0.9
261.15112	1.0
336.70428	1.0
379.16098	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.00587	1.7
59.01384	81.4
60.01722	1.9
70.38872	2.4
71.01387	37.0
72.99339	1.5
73.02954	2.5
73.11848	1.1
81.03447	1.7
83.01388	2.5
83.05033	4.5
85.02958	13.9
89.02451	34.6
94.76792	1.0
95.01382	1.7
99.00893	2.0
99.04539	1.7
101.02444	18.9
109.02976	1.3
112.29900	1.0
113.02464	14.5
115.65886	1.0
119.03505	14.0
122.01338	1.1
127.04012	1.6
131.03503	2.7
137.02492	1.0
137.09756	10.0
143.03481	1.8
149.04593	2.4
155.10791	31.4
155.27321	1.0
157.08727	9.0
161.04672	1.8
173.78189	1.1
179.05663	3.7
181.01399	1.3
181.08713	4.2
191.01971	2.2
195.26207	1.1
199.09769	56.1
200.10066	2.9
217.10800	9.3
306.78983	1.3
379.16119	100.0
380.16733	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	379.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03462	4.1
59.01366	3.1
60.38338	0.8
63.38749	0.7
67.01897	1.7
69.03458	5.9
71.01385	3.2
73.02958	1.9
81.03455	2.5
83.05033	100.0
84.05356	3.0
85.02950	4.0
85.06596	1.6
85.17944	0.7
85.70273	0.7
88.19320	0.8
91.79860	0.7
93.03432	0.9
95.05014	1.4
96.96017	1.1
97.02895	1.0
97.06582	7.7
98.22721	1.6
99.00883	5.6
99.04517	1.0
109.02949	2.2
109.06584	4.8
110.03725	0.9
111.04544	1.0
113.02477	15.1
114.02848	1.0
121.06658	1.7
123.04557	1.2
123.08141	2.6
127.04024	16.7
128.04390	0.9
133.06615	1.1
135.04500	1.8
135.08185	2.2
137.06090	3.3
137.09720	1.1
139.07639	5.5
147.08165	1.1
149.06100	1.7
149.09712	2.4
150.06863	3.0
151.07632	3.3
151.11311	2.3
161.06097	2.0
162.06805	1.4
163.07642	2.8
165.09232	9.9
166.09421	0.8
171.08185	1.6
173.09837	0.9
175.07680	1.1
177.09215	1.7
178.06403	0.9
178.10059	0.9
179.10756	2.3
180.08023	0.9
180.80101	0.7
183.08173	1.0
187.13348	2.2
189.09218	1.0
191.05594	0.9
191.10692	1.4
191.14468	0.9
193.08665	2.7
194.77124	0.8
199.07684	1.0
201.09230	4.7
201.13174	0.8
203.10744	1.7
204.07933	1.1
207.13934	3.8
217.08713	1.9
218.09436	2.2
219.10382	4.7
221.11938	0.9
229.08685	3.2
229.12291	2.0
230.09373	1.9
231.10226	1.6
232.10960	3.8
233.11836	2.8
241.12328	1.0
244.11058	6.5
245.11829	11.2
246.12535	2.3
247.13393	21.1
248.13916	3.2
251.10638	1.1
251.12912	1.9
255.13947	0.9
257.15503	1.1
259.13406	16.0
260.13809	1.7
261.14948	3.9
266.13129	2.2
267.10178	0.9
269.11783	4.1
270.12463	1.3
271.16998	1.8
273.15167	1.3
273.18576	2.5
281.15460	3.2
282.12564	2.5
282.15482	0.9
283.13419	2.2
284.14182	4.4
285.14560	1.1
287.12967	3.8
288.13693	12.9
289.13989	1.4
289.18140	1.1
297.15033	0.9
299.16534	38.5
300.16901	4.8
302.11826	1.2
302.15234	19.7
303.15454	2.8
317.17603	33.6
318.18045	3.6
325.14655	1.0
343.15549	8.6
344.16016	1.1
361.16644	12.6
379.13327	1.4
379.17664	17.8
380.18082	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	379.1764
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
55.01874	5.0
59.01381	2.0
63.65633	1.9
65.03965	18.4
67.46439	1.9
69.03461	51.0
69.19170	5.6
69.19582	8.2
72.15308	1.9
80.02667	4.4
81.03465	9.2
83.05034	100.0
84.05330	2.7
85.06590	4.0
88.77773	2.3
95.05012	6.9
97.06590	9.2
108.02183	5.8
109.02957	4.1
109.06597	6.8
110.03732	2.9
113.02463	36.4
123.08169	12.3
127.04023	26.4
137.06151	3.0
137.09673	3.8
139.07649	6.3
149.06120	2.6
149.09734	4.4
150.06819	5.1
151.07664	59.4
151.11285	6.1
152.07961	2.5
161.06194	2.4
163.07660	5.7
164.08382	2.4
165.09190	15.8
173.09703	3.2
175.07599	2.9
177.09270	2.4
186.06920	2.3
188.66777	2.1
201.09204	7.1
207.13910	7.5
219.10226	4.4
223.53667	1.9
226.09973	3.3
229.08591	3.3
231.10225	4.1
232.11119	7.0
233.11839	6.3
235.13397	20.3
235.18509	2.3
241.12326	3.5
243.10332	4.7
244.11087	2.8
245.11685	2.9
246.12558	7.7
247.13380	12.9
251.12900	3.5
257.11685	2.4
258.12622	16.4
259.13431	10.5
261.14984	69.5
262.15326	7.8
269.11826	3.0
273.14890	11.3
274.15372	2.2
283.13596	2.9
284.14209	5.7
287.12891	7.0
288.13724	24.5
299.16519	32.5
302.15173	19.7
317.17593	71.3
318.17853	9.3
335.15051	2.6
343.15475	4.2
361.16562	38.4
362.16647	3.7
379.17731	30.1
394.69577	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	379.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.4
65.03972	18.1
66.18715	2.6
69.03461	46.6
69.08520	17.8
71.01363	2.2
80.02699	2.9
81.03454	11.7
83.05034	100.0
95.05041	5.8
97.06605	9.7
99.28229	2.5
108.02216	3.2
109.02975	3.7
109.06614	6.8
113.02463	40.8
123.08160	13.1
127.04028	32.1
139.07680	2.5
150.06781	3.1
151.07652	70.1
151.11340	2.5
161.06004	4.1
163.07590	3.1
163.70380	2.3
164.08369	3.4
165.07979	2.7
165.09171	14.2
175.85612	2.5
179.10622	3.5
192.24930	2.2
193.08691	3.6
193.69034	2.3
201.09297	12.4
203.10959	3.4
204.07954	3.9
207.13895	10.3
208.14360	2.5
217.08838	3.0
217.12248	3.2
226.09981	5.8
231.10144	3.8
232.11090	9.0
233.11736	7.2
235.13382	16.0
240.11569	2.6
241.12375	4.8
243.10271	8.0
246.12677	6.9
255.10168	3.0
255.13925	3.6
258.12653	17.5
259.13303	6.2
261.14966	84.2
262.15369	6.5
269.11679	2.8
273.15057	16.6
281.15573	3.4
284.14200	8.7
287.12900	7.2
288.13641	18.7
299.16623	36.6
300.16769	3.6
302.15271	11.6
317.17606	62.4
318.17996	8.2
361.16592	52.8
362.16895	9.5
374.84662	2.9
379.17554	29.3
380.17828	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	379.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
67.01894	5.4
69.03447	2.7
69.43349	5.9
73.02945	9.8
81.03445	1.8
83.05013	6.1
85.02921	1.7
85.06587	9.1
91.02212	1.2
93.03442	2.1
95.05037	15.0
97.06596	46.2
98.06925	1.7
99.00847	1.7
108.43163	1.2
113.02416	2.3
118.88382	1.3
121.03008	2.8
122.03778	2.2
123.08150	7.1
127.03979	2.0
132.55180	1.5
137.06059	5.3
137.09734	6.9
139.03987	3.8
139.11247	2.9
151.07649	5.7
162.39133	1.4
163.07579	2.0
163.79378	1.4
165.09213	11.3
219.10240	1.8
243.13971	3.8
247.13437	2.3
259.13358	1.6
261.14972	30.8
262.15375	3.0
263.16058	1.6
265.04752	3.4
273.18539	2.4
275.01172	1.5
288.13766	2.0
299.16507	4.9
302.15149	2.4
305.13962	100.0
306.14249	8.5
309.07431	3.2
317.17490	10.1
351.25381	8.7
353.06290	5.4
361.16467	3.5
379.04263	5.3
379.17599	32.6
379.25058	2.4
380.17841	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1766
Annotation	Hebeirubescensin G
Peak:m/z	Relative Intensity
57.00236	3.2
58.75412	2.7
59.01386	7.0
65.03969	21.5
68.66829	3.0
69.03461	72.5
69.31494	14.1
80.02692	6.1
81.03457	11.6
83.05035	99.8
85.02914	3.8
87.17377	3.4
95.05031	5.7
97.06618	6.2
99.00887	4.1
99.04535	4.6
105.07063	4.6
108.02159	3.5
109.02954	6.0
109.06603	8.7
113.02453	53.6
121.06697	3.9
122.35046	3.0
123.08183	18.1
127.04032	29.9
133.06583	5.4
135.04510	3.1
135.08064	4.0
137.06047	5.2
137.09700	4.6
139.07700	5.6
149.09726	5.9
150.06841	3.7
151.07652	98.5
152.07977	3.3
163.07707	7.5
164.08330	4.4
165.09213	16.6
177.09221	3.5
179.10757	3.9
201.09222	9.7
203.10669	4.3
207.13913	10.2
207.98096	3.0
217.08795	3.5
217.12460	4.9
218.67941	3.5
219.10255	3.2
226.09967	8.3
231.10249	8.5
232.11024	6.7
233.11801	7.4
235.13408	21.6
241.12314	5.9
243.10338	3.8
245.11702	3.6
245.15479	3.5
246.12593	7.5
257.11789	5.0
258.12592	18.7
259.13248	11.1
261.14966	100.0
262.15198	8.3
273.14987	18.6
284.14072	5.2
287.12909	9.2
288.13699	26.7
289.18164	5.1
299.16531	37.7
300.16910	4.9
302.15134	14.7
317.17566	94.9
318.17822	10.0
343.15701	4.8
360.97379	3.3
361.16565	71.9
362.17050	9.5
379.17639	41.8
380.17926	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	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91590	0.4
57.01132	0.4
57.03454	0.6
59.01384	100.0
59.55751	0.5
60.01738	1.4
66.54177	0.4
71.01392	4.4
71.40974	0.5
73.02964	1.6
83.01424	0.7
85.02956	3.3
93.53040	0.5
94.54459	0.4
99.00928	0.6
99.08190	0.8
101.02448	3.5
113.02475	2.4
127.11324	0.8
129.01927	0.5
157.12360	3.8
159.03050	0.6
161.04591	3.8
191.01997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01385	100.0
60.01728	1.2
67.60240	0.3
71.01394	5.5
71.04285	0.5
73.01162	0.4
73.02928	0.7
74.99115	0.3
76.20344	0.3
81.03452	0.6
83.01404	0.6
83.05053	0.5
85.02958	2.8
88.50379	0.3
89.02454	4.1
96.96019	1.9
99.00932	0.5
101.02457	4.5
107.05048	1.1
109.06647	0.8
111.04560	0.8
113.02458	1.9
114.05656	0.7
119.03548	1.5
121.06639	0.5
133.06654	0.8
133.12007	0.4
135.04550	0.7
137.06075	2.0
143.03474	0.5
147.08267	0.3
148.72147	0.3
159.03085	0.8
159.08177	1.1
161.04564	2.7
191.02002	0.6
197.09613	0.3
220.13760	0.4
221.09608	0.4
239.10884	1.2
250.68491	0.4
257.11880	3.1
311.09647	0.4
319.17603	4.7
374.40665	0.4
379.13797	1.0
379.17734	1.5
398.29453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
52.61156	2.1
54.65794	2.0
59.01386	100.0
60.51322	2.5
61.98831	4.1
70.54359	4.0
89.54907	2.0
94.07021	2.3
100.62370	2.4
113.94313	2.1
120.91910	2.4
149.01917	2.2
166.71660	2.3
170.04683	2.9
201.42039	2.4
221.15511	2.7
223.82172	2.6
259.20786	2.6
288.75156	2.4
301.21753	9.9
319.22791	35.0
320.23138	4.8
379.24902	87.8
380.25293	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	379.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.3
59.01387	100.0
60.01719	1.9
60.99324	1.4
61.82574	0.7
61.98836	1.3
69.22636	1.2
69.23042	2.3
93.93127	0.6
98.22622	1.3
120.78337	0.6
252.25287	0.6
259.20679	2.7
299.01828	0.6
301.21625	2.1
319.22806	81.0
320.23138	9.1
337.23859	2.6
379.24899	23.6
380.25351	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89771	100.0
69.90163	61.5
71.69368	33.3
178.03313	41.5
304.46628	34.6
350.13107	42.6
375.77222	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.1
61.98831	100.0
70.73178	20.5
71.01406	9.5
80.32980	10.1
80.77261	8.8
87.97388	9.3
118.98103	10.8
211.24742	10.5
217.00368	12.0
339.45865	12.6
345.10892	11.5
380.15622	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	380.1563
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01863	0.7
56.16513	0.7
57.03450	0.6
59.01385	24.0
60.01732	0.7
69.78709	2.2
71.01388	37.2
71.05025	8.9
72.00915	0.6
72.01721	1.0
72.04501	0.7
73.02950	1.5
75.00893	0.6
82.73966	0.5
83.01394	1.1
85.02962	5.1
87.04517	0.6
88.04050	6.0
89.02450	9.1
95.01397	0.9
99.04539	2.2
101.02451	9.8
113.02465	4.8
116.03552	1.1
116.07185	1.6
119.03511	2.8
128.07230	2.8
129.05597	1.0
146.08246	63.1
147.08572	2.5
149.69983	0.7
161.04607	2.1
187.85640	0.6
200.09311	0.9
218.10347	1.0
285.75687	0.6
308.13553	6.4
362.14581	2.1
380.15656	100.0
381.15955	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	380.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	66.6
73.34270	56.6
75.42582	68.9
77.71375	56.5
98.65977	52.2
99.91970	58.0
100.33879	65.4
136.02795	60.5
217.00336	100.0
235.57596	55.5
241.99615	53.9
268.95352	61.1
289.18018	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	66.6
73.34270	56.6
75.42582	68.9
77.71375	56.5
98.65977	52.2
99.91970	58.0
100.33879	65.4
136.02795	60.5
217.00336	100.0
235.57596	55.5
241.99615	53.9
268.95352	61.1
289.18018	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.05447	2.1
69.14928	12.0
73.60778	1.9
93.25544	2.0
119.65070	1.9
155.37781	2.0
217.00600	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	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57661	26.5
59.01375	74.3
68.05777	28.1
76.31046	34.2
98.22638	100.0
101.57728	36.9
103.96606	32.8
109.12156	28.5
211.31137	29.0
228.76292	31.8
306.01968	30.5
381.09613	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57661	26.5
59.01375	74.3
68.05777	28.1
76.31046	34.2
98.22638	100.0
101.57728	36.9
103.96606	32.8
109.12156	28.5
211.31137	29.0
228.76292	31.8
306.01968	30.5
381.09613	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59927	26.2
58.81101	23.6
59.01391	65.9
59.68747	23.9
61.98810	28.2
69.95528	69.7
78.95925	76.6
85.02969	23.7
85.28631	25.4
98.22543	28.5
101.02428	38.5
108.93176	28.1
126.98880	43.1
136.94012	28.9
141.00482	55.9
147.50424	22.3
166.20979	28.4
181.07771	54.2
183.15236	27.1
187.71310	25.2
216.67799	27.1
235.95569	28.4
250.02771	100.0
261.08731	52.5
268.04321	32.4
381.09506	77.3
382.03751	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	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	71.0
71.01383	28.2
73.02941	5.9
75.00875	18.7
85.02961	11.6
87.00882	19.0
89.02449	12.4
101.02474	16.5
101.45557	4.1
113.02441	8.4
115.05546	6.5
116.92891	7.9
119.03494	5.3
130.06689	5.1
132.04538	23.3
133.02951	7.8
137.06055	4.2
158.06126	100.0
161.04651	4.7
174.05586	3.9
177.01961	14.8
197.04562	10.3
202.05106	46.6
220.06207	8.8
237.06140	7.4
249.06198	12.9
310.29520	4.3
321.15393	8.4
381.09946	9.3
381.17535	18.3
382.11465	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	381.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
59.19422	0.9
66.61036	0.8
68.16302	0.9
69.36097	2.8
69.36489	1.7
74.99097	13.0
80.26707	0.8
118.98105	100.0
119.98414	1.6
120.99710	1.0
143.58842	0.7
177.05505	1.0
178.23488	0.9
181.49812	0.9
222.87462	0.8
311.09436	0.9
361.09186	1.2
381.09979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28092	1.2
56.98033	1.1
59.01386	5.7
63.96249	1.5
71.01373	1.8
71.39964	1.7
72.99320	8.6
74.99094	11.0
78.76827	1.1
81.03463	1.9
85.02948	1.6
87.00883	33.9
96.96004	1.4
107.05037	7.0
109.02966	2.1
114.46899	1.2
118.98091	3.5
121.06621	2.9
131.05032	16.5
133.06610	6.8
135.08217	1.7
136.99136	5.4
138.01465	4.2
139.02245	2.7
141.26308	1.2
147.04553	4.1
148.05272	1.8
149.06096	34.5
150.25702	1.1
151.02147	1.2
161.06119	3.7
163.02245	100.0
164.02583	5.7
169.10204	3.5
175.03944	2.1
176.04854	2.6
177.05579	96.5
178.05901	6.1
181.03304	68.8
182.03621	4.2
188.04752	1.8
195.04643	1.3
195.08199	2.1
197.09697	13.2
198.10048	2.3
207.04805	6.5
209.09856	2.1
213.09224	11.8
215.10780	4.3
217.12439	1.5
225.09218	58.9
226.09610	5.0
227.10812	10.3
228.11179	1.6
231.10336	2.4
241.08783	3.1
243.10262	71.6
244.10612	5.1
245.06500	2.2
245.11894	3.7
265.14575	3.1
269.04932	7.4
293.08554	52.8
294.08899	4.6
311.07419	1.4
363.09122	8.5
381.10071	36.8
382.10458	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	381.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77689	1.2
56.94936	1.4
60.47447	1.4
71.01401	1.7
79.05537	1.9
83.05030	3.1
87.23080	1.3
89.00655	2.7
89.52414	1.4
103.05553	4.0
107.05030	12.7
108.05435	1.9
109.02961	25.8
111.04532	2.9
121.02995	1.9
130.12787	1.3
131.05072	2.6
133.06624	4.0
135.04500	1.8
137.06126	1.3
143.24014	1.5
144.05803	1.7
147.04549	2.6
157.06718	1.5
161.02444	1.5
173.06049	2.2
175.07715	1.7
183.08202	6.1
187.07625	2.6
197.06181	3.5
199.07628	1.8
201.05568	1.6
202.06406	1.8
210.06755	1.4
211.07645	23.4
212.04779	15.5
212.08008	1.9
213.05293	1.9
214.06366	25.0
215.07086	5.2
219.39577	1.4
221.09679	3.4
223.11368	3.8
227.05313	2.2
227.07225	3.6
228.05757	1.5
228.07877	4.9
229.08708	100.0
230.09009	7.8
234.06868	19.3
237.09256	2.2
243.04820	13.7
244.05562	13.0
249.09213	46.2
250.09583	5.1
255.10260	1.8
267.10269	32.8
268.10736	3.0
283.08008	10.1
284.08380	1.7
285.11374	44.1
286.11688	4.4
301.09055	72.2
302.09396	6.7
310.08716	2.7
319.10138	16.0
337.11295	1.6
376.79639	1.4
381.10196	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	381.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16341	0.6
58.58033	0.6
59.01384	1.0
62.03659	0.7
69.03455	1.3
71.01383	0.8
74.09908	0.6
74.99101	17.0
83.05032	14.6
85.02967	1.0
96.96027	2.1
99.00870	0.9
118.98098	100.0
119.98421	1.2
123.08182	0.9
127.04021	8.4
136.99147	2.7
139.07623	1.1
179.10802	1.5
217.12325	1.2
220.11064	0.9
224.37456	0.7
235.13382	3.5
265.14722	0.7
319.19031	1.9
363.17719	1.0
381.11005	0.8
381.19257	5.8
382.19638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24503	4.6
59.01373	7.7
63.86000	4.1
71.01375	7.4
85.02952	13.9
86.03300	7.4
101.02419	8.7
107.05083	10.1
109.02970	22.6
119.97031	4.1
147.30261	4.5
155.15176	4.8
183.10287	63.5
197.02335	6.3
211.07689	24.3
212.04747	12.7
212.08018	5.3
214.06398	19.8
228.07849	5.4
229.08698	100.0
230.09023	9.1
234.06856	15.5
243.04799	12.7
244.05621	12.7
249.09251	44.1
250.09355	5.4
267.10358	26.8
283.07782	11.4
285.11365	41.7
294.48407	6.0
301.09088	64.5
319.10086	14.3
377.07233	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	381.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24503	4.6
59.01373	7.7
63.86000	4.1
71.01375	7.4
85.02952	13.9
86.03300	7.4
101.02419	8.7
107.05083	10.1
109.02970	22.6
119.97031	4.1
147.30261	4.5
155.15176	4.8
183.10287	63.5
197.02335	6.3
211.07689	24.3
212.04747	12.7
212.08018	5.3
214.06398	19.8
228.07849	5.4
229.08698	100.0
230.09023	9.1
234.06856	15.5
243.04799	12.7
244.05621	12.7
249.09251	44.1
250.09355	5.4
267.10358	26.8
283.07782	11.4
285.11365	41.7
294.48407	6.0
301.09088	64.5
319.10086	14.3
377.07233	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	381.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24503	4.6
59.01373	7.7
63.86000	4.1
71.01375	7.4
85.02952	13.9
86.03300	7.4
101.02419	8.7
107.05083	10.1
109.02970	22.6
119.97031	4.1
147.30261	4.5
155.15176	4.8
183.10287	63.5
197.02335	6.3
211.07689	24.3
212.04747	12.7
212.08018	5.3
214.06398	19.8
228.07849	5.4
229.08698	100.0
230.09023	9.1
234.06856	15.5
243.04799	12.7
244.05621	12.7
249.09251	44.1
250.09355	5.4
267.10358	26.8
283.07782	11.4
285.11365	41.7
294.48407	6.0
301.09088	64.5
319.10086	14.3
377.07233	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	381.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65162	1.6
59.96722	2.6
71.18083	3.2
74.99079	29.9
91.02217	49.4
93.00127	15.2
94.58537	1.6
97.72007	2.0
108.71100	1.7
140.50954	1.7
159.08481	100.0
160.08675	4.8
161.06413	15.1
169.33003	1.9
224.67247	1.7
265.75098	2.1
270.50919	1.9
382.09378	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
57.03452	3.9
59.01382	28.8
60.01727	0.4
69.03478	0.8
69.48399	1.2
69.48787	0.6
69.54161	0.3
71.01387	29.5
72.01712	0.7
72.99298	0.8
73.02952	14.1
75.00836	0.6
83.01393	8.6
85.02959	18.1
85.06616	0.3
86.00092	1.1
87.00870	1.5
87.08151	0.5
89.02463	3.8
95.01391	2.3
97.02960	1.3
99.00884	5.3
101.02452	36.5
102.02786	1.4
111.00883	1.4
113.02466	12.8
119.03514	0.7
125.02474	1.0
129.01942	0.7
131.03481	0.8
143.03529	1.2
157.08760	0.6
159.03030	2.7
161.04567	15.5
162.04947	0.4
190.39046	0.4
202.70212	0.3
249.13446	100.0
250.13783	6.2
266.34323	0.3
381.17691	8.8
382.18268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03449	3.2
59.01371	5.6
59.43301	1.5
65.03964	22.3
65.06097	1.5
69.03458	51.4
69.44080	8.1
70.03793	1.6
71.01381	5.7
71.05027	5.3
71.39414	1.5
73.02944	4.0
80.02707	2.1
81.03456	6.6
83.05032	100.0
84.05369	4.5
85.02988	3.3
85.06602	1.7
89.02480	1.9
95.05055	2.9
97.06600	3.6
99.04553	2.7
105.07025	1.8
107.05052	2.3
108.02179	4.2
109.02990	3.1
110.03767	2.7
113.02450	38.3
113.09721	3.9
114.02781	1.9
118.98051	3.4
121.03014	1.7
121.06593	3.2
123.08157	9.1
127.04030	26.5
135.08147	2.0
137.09775	2.4
139.07596	2.7
141.09244	29.2
142.09596	2.0
151.07663	50.4
151.11264	1.7
159.46849	1.6
160.66693	1.7
177.09236	2.2
189.12819	2.8
191.14435	2.5
195.10265	3.1
201.12946	2.0
206.09488	2.4
219.13921	4.8
220.11057	2.8
235.13437	6.3
237.15030	7.7
245.15562	7.6
246.12680	2.9
247.13455	6.2
248.14090	4.7
249.14920	9.6
253.14417	2.4
257.15564	1.8
260.14136	14.2
261.14917	11.3
263.16541	80.2
264.16934	5.7
271.17133	2.7
272.14133	2.1
275.16592	8.4
279.52628	1.8
283.17102	2.9
289.14542	3.4
290.15283	14.3
291.15793	2.1
301.18076	28.7
302.18402	3.7
304.16766	15.9
305.17322	2.2
319.19147	81.2
320.19406	10.0
337.16739	2.3
345.17175	5.9
363.18127	65.6
364.18488	10.6
381.19257	73.4
382.09195	2.1
382.19769	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	381.1921
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.06315	0.5
55.01869	1.4
59.01371	1.2
65.03966	2.6
69.03481	0.6
71.01378	0.9
74.99100	0.8
81.03467	4.0
82.41508	0.4
83.05032	100.0
84.05370	2.3
85.02931	1.1
88.96693	0.4
96.96020	0.6
97.06584	0.7
98.22636	2.2
99.00915	0.4
99.04529	1.5
109.02984	1.0
109.06610	1.3
110.03700	0.5
118.98106	6.8
123.08173	1.4
127.04022	56.1
128.04356	1.8
135.08199	1.4
136.91721	0.5
137.06094	2.8
139.07692	2.5
151.11339	0.9
161.30519	0.5
163.11295	2.2
167.79265	0.5
177.09207	3.9
179.10777	4.4
187.07597	0.9
193.08684	0.7
193.12427	0.5
201.09207	0.7
202.10017	1.1
205.08682	6.5
217.12305	5.1
219.10313	2.1
220.11044	7.3
221.11647	0.6
235.13399	18.2
236.13731	1.2
299.87204	0.5
301.18091	0.7
305.98633	0.5
317.17490	1.1
319.19055	0.8
381.19211	32.5
382.19565	4.7
383.67929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50998	2.0
55.01867	2.6
57.03434	3.8
59.01368	4.7
62.38362	2.1
65.03976	16.9
69.03458	34.4
69.32982	11.2
71.01385	5.1
71.05034	3.0
72.20405	1.9
72.20839	2.0
73.02943	5.7
81.03466	5.7
83.05034	90.3
95.05021	2.2
97.06618	3.3
99.04501	3.3
106.02984	4.6
106.93751	2.4
107.04974	2.2
108.02186	2.3
108.10796	2.0
109.02948	3.0
109.06603	3.1
110.03683	2.4
113.02455	26.2
113.09703	2.3
120.97204	2.0
121.06584	3.5
123.08176	4.9
127.04028	17.7
128.04265	2.3
137.09721	3.5
139.07654	5.9
141.09235	34.1
149.09782	3.1
151.07674	31.8
152.08109	2.0
152.12735	1.9
161.02412	2.1
169.07796	2.0
177.05533	3.1
178.01454	2.7
179.10802	3.8
189.12871	3.2
195.10240	3.2
201.12941	2.5
205.12431	3.4
205.36076	2.4
210.04108	5.7
219.13895	5.0
220.11121	4.9
234.12611	3.2
235.13396	5.0
237.14949	3.9
243.13887	2.7
245.15428	8.2
246.12587	4.8
247.13425	13.3
248.14064	4.3
249.14961	27.5
251.16576	2.1
253.14575	3.8
257.15430	3.7
260.14221	9.0
260.33279	2.1
261.14929	19.6
263.16528	49.8
264.16855	5.0
272.83197	1.8
275.16586	6.8
286.15720	2.2
289.14493	3.5
290.15277	11.1
291.15533	2.0
301.18112	18.3
302.18381	3.5
304.16776	32.5
307.53247	2.1
319.19162	65.3
320.19455	7.4
322.07425	2.7
337.20151	2.3
338.10275	3.8
363.18182	44.7
364.18436	6.6
381.19171	100.0
381.23947	4.8
382.09268	15.8
382.19525	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	381.2074
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
50.80544	1.6
51.60837	1.9
53.05857	1.9
55.51746	1.4
68.48434	1.8
71.17917	2.1
74.99083	4.5
91.02217	7.3
93.00144	4.7
100.68546	1.7
117.33480	1.8
121.02936	2.9
133.02977	16.7
134.03757	55.3
135.04367	2.5
137.02452	26.8
139.04012	7.9
159.08473	19.7
161.02446	3.3
161.06462	3.3
163.11372	4.5
164.34505	1.9
178.02742	16.5
179.03487	2.1
264.82501	1.7
337.21896	3.3
381.20700	100.0
381.24463	3.6
382.21054	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44880	0.4
60.10204	0.3
67.73497	0.4
69.92653	0.9
73.40752	0.4
77.12145	0.5
82.62807	0.4
101.06105	0.5
109.06557	0.7
111.08111	0.4
120.96986	0.3
137.06075	0.9
138.06889	1.9
149.06068	0.9
151.07677	1.7
165.09232	0.4
170.05869	3.0
192.11469	1.0
199.13428	0.7
217.00406	0.7
233.19078	1.7
235.20689	1.7
249.18723	0.5
251.20175	2.9
258.54300	0.4
259.17053	0.6
277.18106	80.6
278.18454	7.7
279.19659	24.9
280.19946	2.3
295.19171	100.0
296.19547	9.6
345.24506	0.6
363.25452	15.8
364.26038	1.7
381.26495	6.1
382.26721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33566	0.4
67.57754	0.3
69.41370	1.6
71.05038	0.8
72.80486	0.3
83.56931	0.4
98.22616	0.6
99.70038	0.3
101.47865	0.3
115.55437	0.4
134.68425	0.3
138.06883	1.3
151.11301	0.9
153.12830	2.5
155.14487	0.3
163.11307	2.1
165.09184	0.4
165.12869	4.0
170.05920	1.9
179.10783	12.0
180.11160	0.7
181.12360	35.1
182.12715	2.5
191.51343	0.3
195.10278	2.2
197.11844	3.8
199.13406	100.0
200.13745	6.2
215.12929	1.3
264.89059	0.4
363.25455	4.0
364.25653	0.6
381.26401	3.8
382.26883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98831	2.5
68.99808	1.1
79.59344	0.8
106.02986	1.2
110.02480	1.1
113.98233	0.9
138.06873	2.1
150.01918	1.6
151.07610	1.2
160.74101	0.9
164.08502	1.1
170.05847	3.2
171.04543	1.9
174.99298	1.5
177.36002	0.8
178.01343	1.2
183.01353	1.0
187.93781	0.9
199.13435	2.4
217.00389	2.5
233.19240	1.9
235.20706	1.0
249.18640	1.0
251.20120	2.6
277.18094	84.3
278.18433	9.1
279.19653	27.0
280.19998	2.6
295.19165	100.0
296.19485	10.0
301.03629	1.5
306.07660	1.2
319.22879	3.1
322.07199	2.0
345.24414	4.2
363.25446	20.8
364.25848	3.1
381.26514	10.5
382.09195	3.8
382.26752	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	382.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
58.40556	1.0
59.01368	2.6
69.93089	0.9
70.83533	1.5
71.05042	5.5
83.01392	2.5
83.05006	1.8
90.09387	0.8
96.04559	13.1
98.02490	2.4
98.06136	6.2
99.00921	1.2
101.02438	2.0
102.05624	2.7
118.98100	1.9
120.01270	2.3
120.99652	1.4
126.05622	100.0
127.05962	3.0
128.03575	2.6
133.02997	0.9
133.06610	40.4
134.06956	2.0
135.04539	2.0
135.08167	1.4
149.06082	1.0
161.02368	1.7
170.04584	6.9
170.78903	1.0
177.05580	32.5
178.05933	5.6
179.03471	2.7
183.94402	0.8
204.03366	82.2
205.03682	3.7
211.04390	8.2
217.65530	0.8
382.09668	6.0
382.18900	2.8
383.09637	1.2
383.17126	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	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01384	15.4
61.11776	0.6
69.19581	1.3
69.19983	2.1
70.80972	0.5
71.01385	9.5
72.99311	0.7
73.02960	1.2
75.00875	20.2
83.01393	1.0
85.02950	4.1
87.00883	15.9
87.16454	0.6
88.04025	0.7
88.82468	0.6
89.02445	6.2
99.00887	2.1
99.92570	0.9
101.02444	5.8
113.02464	3.5
115.05554	6.7
115.92097	1.4
116.05090	3.0
116.92866	6.7
119.03511	1.4
119.05036	1.4
130.06635	9.1
132.04561	28.6
133.02963	1.9
133.04907	1.6
134.03752	1.6
135.04512	3.8
144.04572	1.4
149.06111	0.9
151.07635	0.8
154.06239	1.3
157.05347	1.3
158.06123	100.0
159.06496	6.2
161.02454	2.2
161.04610	0.7
163.03979	0.8
173.68341	0.7
174.05663	3.2
177.01907	0.9
179.03584	3.4
191.10899	0.6
193.05118	0.7
202.05109	40.9
203.05453	2.8
220.06177	8.9
237.06178	7.8
249.06117	10.3
262.07156	0.9
267.08704	1.0
370.14490	0.6
382.11438	45.6
383.11920	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	382.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.45813	3.7
71.01375	1.4
83.05041	1.2
84.05352	1.1
85.73988	0.9
91.05541	1.1
98.21950	1.8
129.10362	3.3
147.04555	1.2
164.07210	2.9
171.11436	2.2
319.16617	9.1
382.09439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01193	3.5
53.41417	4.2
56.89562	3.6
59.01386	100.0
65.24181	3.1
68.99822	3.7
106.03045	3.8
138.33199	3.8
171.04561	7.7
232.34181	3.5
235.35695	3.4
247.78555	3.6
276.53583	3.6
302.34177	4.0
322.07089	5.4
350.06528	5.5
382.09268	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98034	0.8
59.01374	0.5
69.29446	1.9
73.98325	1.2
74.99103	100.0
75.99032	0.7
75.99440	1.3
85.02950	0.8
87.00894	0.9
87.95955	0.4
104.64454	0.4
107.04285	0.4
107.05042	1.1
109.03010	0.5
118.98100	2.0
120.99668	1.7
121.03001	0.6
131.05025	0.7
136.99159	79.5
137.99487	1.2
161.34023	0.4
165.03813	4.1
166.04144	0.4
197.09694	0.7
217.12340	0.6
221.11797	0.6
225.09177	0.7
227.10805	2.0
228.92805	0.4
230.10889	0.4
339.52789	0.4
348.23334	0.4
383.11862	0.5
383.16971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	0.6
59.01383	5.4
59.39492	0.3
71.01393	1.3
72.99319	0.6
73.98321	1.1
74.99103	100.0
75.64783	0.4
75.99046	0.5
75.99454	1.3
85.02957	2.3
85.51363	0.3
87.00893	1.2
87.04500	0.4
101.02446	0.6
107.05037	1.8
113.02462	0.8
118.98096	2.5
120.97715	0.7
120.98861	0.5
120.99651	4.4
129.01935	0.6
131.05048	1.3
133.06633	0.4
135.08159	0.9
136.99158	87.9
137.99437	1.6
161.02440	0.5
161.04753	0.3
161.06111	1.5
164.04831	2.9
165.03807	5.1
179.07152	2.9
189.05515	0.4
197.09749	0.6
223.43144	0.4
225.09286	1.1
227.10960	1.7
243.10300	0.4
245.11868	0.5
263.57483	0.4
291.82370	0.4
341.12540	0.6
383.11707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31059	1.3
51.81168	1.5
59.01383	14.9
63.62387	1.4
67.04288	1.3
70.30219	1.2
71.01389	7.4
72.99275	1.7
73.02954	19.1
73.46748	1.5
74.19875	1.2
83.01417	3.3
87.00883	3.3
89.02409	1.6
90.13956	1.3
98.22653	5.3
99.00897	8.1
101.02457	7.9
107.05048	3.6
113.02409	2.3
113.70947	1.4
120.05828	2.7
121.05802	1.2
121.06579	7.5
133.06607	100.0
134.06927	5.1
135.08182	42.2
136.08495	2.3
145.06613	1.8
149.06084	5.6
159.08241	1.6
161.06094	75.0
162.06410	3.4
163.07666	34.4
164.07919	1.8
187.07669	1.9
191.07153	25.4
192.07518	2.0
203.07120	3.0
215.07175	4.0
220.05856	8.5
224.28575	1.3
267.15839	1.9
383.13354	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.4
69.18729	1.5
69.19136	1.3
71.01385	2.0
72.99320	0.7
74.99100	1.3
76.98689	1.9
85.02950	2.2
89.02459	0.6
96.95988	0.7
101.02455	0.9
104.06424	0.4
115.00396	0.5
118.98090	7.0
119.98405	1.4
120.05838	3.7
120.97697	11.5
120.98525	1.3
120.99647	7.2
125.02483	0.9
133.06662	0.5
135.08183	100.0
135.98376	1.5
136.08527	4.7
140.31302	0.5
144.46213	0.4
152.04799	0.5
159.01266	0.5
161.04671	0.7
179.07155	17.5
180.07509	0.9
185.11786	0.5
216.72687	0.6
221.11848	1.1
267.16003	1.2
306.33267	0.5
372.84222	0.5
383.13586	0.5
383.17361	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54926	0.3
59.01388	3.8
59.44334	0.3
70.95621	0.4
71.01388	1.9
72.36843	0.3
73.02966	0.6
74.99111	0.5
85.02966	1.5
87.00885	0.3
89.02458	0.8
96.96014	0.5
101.02470	0.6
103.81197	0.3
113.02471	0.8
115.00392	0.4
118.98121	1.6
120.05818	4.2
120.99651	1.0
122.99240	1.3
124.18061	0.4
130.99342	0.3
135.04675	1.6
135.08179	100.0
136.08521	4.8
149.06126	0.4
152.04834	0.6
161.02470	0.8
161.04568	0.7
179.03627	1.6
179.07147	18.2
180.07550	1.0
232.15482	0.3
253.99295	0.4
267.16010	0.4
278.29654	0.3
311.59692	0.5
340.29672	0.4
349.44080	0.4
383.13245	1.3
383.17383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01385	5.0
61.57749	0.3
64.94456	0.4
69.51540	1.5
70.27209	0.5
71.01376	2.2
72.99326	0.8
73.02961	1.1
73.28577	0.4
74.99108	1.6
76.98695	1.6
79.30724	0.4
80.96543	0.5
83.01395	0.5
85.02957	1.5
89.02457	0.5
96.96023	0.7
101.02450	0.9
109.02969	0.4
113.02458	0.6
118.98100	6.6
119.98436	1.3
120.05830	3.5
120.97679	9.7
120.98531	1.7
120.99651	5.3
121.97994	0.5
125.02487	0.5
131.00114	0.4
135.08177	100.0
135.98355	1.3
136.08504	4.8
144.89464	0.4
152.04819	0.8
159.01230	0.4
161.04568	0.6
161.05846	0.4
179.03601	0.7
179.07155	16.8
180.07492	0.6
221.11824	1.0
267.16040	1.3
349.78253	0.4
383.13239	0.8
383.17255	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	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86375	0.3
55.79529	0.3
59.01379	2.2
61.68658	0.3
69.23320	1.9
83.05036	0.6
84.61940	0.3
85.03008	0.4
98.22680	0.6
112.62282	0.3
119.18162	0.3
121.50748	0.4
135.04575	0.7
137.02431	1.1
162.03214	0.5
163.04033	2.6
164.04811	100.0
165.05125	4.9
177.05618	0.4
179.07152	88.3
180.07486	4.9
267.12329	0.5
298.42761	0.3
383.13510	0.6
383.20685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1386
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
53.66574	0.7
55.37884	0.7
57.48332	0.7
58.00596	1.1
59.01384	65.2
63.41378	0.6
67.86568	0.7
69.06589	4.6
71.01388	31.5
72.30784	0.8
72.99306	1.5
73.02959	1.6
80.62432	0.8
83.01387	1.0
85.02946	6.5
87.00874	6.6
89.02454	37.7
95.01400	2.9
99.00934	1.0
101.02449	19.7
101.03113	1.2
105.03471	1.1
113.02460	14.3
114.05605	1.5
115.05886	1.3
119.03520	13.3
125.02469	1.2
126.46161	0.8
127.00420	1.2
131.03474	1.8
133.02977	3.4
133.06958	1.6
135.04546	10.3
143.03500	1.7
159.03001	1.8
161.02448	2.7
161.04587	2.1
177.02014	1.1
179.03502	11.5
179.05641	3.0
295.12274	7.2
383.13831	100.0
384.10333	1.8
384.14386	8.9
405.85043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.1
57.03426	3.7
59.01385	26.5
62.23146	2.5
63.48433	3.0
63.84168	2.5
69.03463	90.5
69.20531	17.4
69.20950	4.5
71.01389	22.6
72.99311	7.0
73.02951	9.5
78.91884	6.1
83.01405	10.4
85.02965	17.7
89.02467	7.7
95.01363	3.9
97.02952	16.7
98.21845	5.8
99.00896	24.6
101.02450	27.7
113.02470	9.7
118.98102	8.0
123.04538	2.9
132.10358	3.1
133.02966	5.3
133.06618	3.9
135.04553	6.4
141.01964	9.2
152.99617	3.0
161.02475	20.6
161.04573	4.7
164.04900	3.5
179.03479	6.5
180.06598	3.4
185.00900	51.7
185.11821	8.8
188.17172	3.0
207.42484	3.4
272.99390	2.9
311.96756	2.9
347.17114	100.0
348.17444	15.0
383.09885	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	383.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	44.1
61.65104	30.2
65.64928	30.9
69.49336	100.0
135.62708	26.5
138.24304	33.4
152.37009	27.5
201.72707	26.7
214.36736	27.5
248.64575	27.1
263.72705	31.0
291.19278	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	383.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	71.4
61.98820	100.0
70.60583	82.1
81.51783	42.6
97.71407	41.6
100.14252	47.2
263.75595	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83847	3.3
57.03439	9.7
57.74278	3.4
59.01084	5.4
59.01382	100.0
60.25430	3.3
65.28058	4.0
69.71007	13.6
71.01389	6.4
75.23772	3.8
83.56403	3.6
85.02953	45.6
89.02455	5.2
101.97105	3.7
104.78116	4.2
108.59723	3.9
114.52211	3.4
119.70145	3.5
120.05312	5.0
135.30008	4.3
136.34698	3.7
147.02997	3.6
161.02466	4.7
187.13522	4.0
191.02016	6.9
202.00139	3.6
209.03146	5.2
223.13672	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	385.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27760	0.2
57.03449	3.4
59.01380	11.2
71.01382	0.4
73.02945	0.5
74.99393	0.3
82.99911	0.6
83.01396	0.8
84.02195	0.3
85.02953	10.9
86.03321	0.3
99.00896	0.4
101.02447	22.9
102.02814	0.5
103.36520	0.2
111.00903	0.4
113.04622	0.6
115.02521	2.2
117.52171	0.3
124.00123	0.3
125.00940	1.3
128.07071	0.2
129.01933	0.7
130.08688	1.5
131.50833	0.2
134.03799	0.4
139.02510	3.9
140.02663	0.4
141.00453	9.0
142.00554	0.8
143.02043	0.4
147.02997	1.1
155.05721	1.6
157.03572	30.7
158.03699	2.5
159.01501	0.4
181.03629	1.9
183.01494	100.0
184.01646	9.2
191.01981	2.7
193.07140	0.6
199.04694	0.6
201.02568	7.2
202.02695	0.7
203.91154	0.2
205.95570	0.3
207.01460	0.2
209.03004	0.9
225.02567	4.7
226.02760	0.7
226.09363	1.0
228.10953	1.4
243.03601	29.5
244.03815	4.0
254.08853	7.7
255.09184	0.6
263.02716	0.8
281.03711	1.8
282.03943	0.4
283.01611	0.7
289.00540	0.6
307.01645	8.7
308.01718	2.2
325.02612	10.3
326.02838	2.0
367.03625	1.4
385.04803	1.7
385.09839	0.5
385.18295	1.7
386.05008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03450	11.5
58.03808	0.6
59.01384	8.9
60.57589	0.6
68.99824	0.6
71.01387	2.9
71.38325	0.6
72.99308	1.4
73.02964	0.6
74.36947	0.5
75.00879	1.6
81.63181	0.6
83.01392	2.1
83.68774	0.6
84.02177	1.9
85.02958	100.0
86.03305	2.1
87.00850	1.0
89.02445	0.9
96.53310	0.7
101.02457	1.6
103.00374	1.7
111.00867	3.0
115.00356	1.0
117.03467	0.6
129.01967	6.7
133.01433	0.6
134.03769	3.9
135.04340	0.6
147.03001	10.6
173.00932	1.7
179.03488	0.7
191.02003	21.1
191.05711	0.8
192.02345	1.0
193.05109	2.2
208.96361	0.6
209.03059	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	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
57.03176	1.1
57.03450	15.6
59.01381	8.3
69.61226	2.3
71.01380	2.8
72.99305	1.0
75.00867	2.2
83.01413	1.5
84.02181	1.2
85.02957	100.0
86.03288	2.4
87.00886	1.0
89.02465	0.8
103.00368	1.2
110.78893	0.7
111.00896	3.8
129.01967	6.6
133.01463	0.7
134.03757	3.7
147.03012	8.3
173.00929	1.9
178.78528	0.9
190.58179	0.9
191.00230	1.0
191.01987	20.5
192.02380	0.9
193.05077	2.1
209.03043	12.9
235.94385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31478	0.5
55.01879	1.8
57.03453	11.5
59.01375	9.1
69.14391	3.9
71.01391	4.9
72.99294	1.7
73.02953	1.1
75.00883	2.4
82.54270	0.6
83.01382	1.6
84.02164	1.4
85.02956	100.0
86.03292	2.3
87.00858	0.9
89.02474	1.2
98.22639	1.3
103.00385	1.9
110.87865	0.6
111.00881	3.8
115.00420	0.9
117.03490	0.7
129.01956	6.9
133.01453	1.9
134.03729	3.8
147.03014	7.9
147.05312	0.6
156.43039	0.6
173.00865	1.3
177.16779	0.6
191.01987	21.4
192.02396	1.1
193.05138	1.4
209.03040	24.4
265.27142	0.6
292.84824	0.7
297.22922	0.7
304.75748	0.7
341.41644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.03900	0.9
52.27435	0.9
55.01868	1.9
57.03447	8.4
59.01384	24.6
69.03454	3.3
69.37386	5.0
70.43874	1.1
71.01373	9.9
71.78471	0.9
73.02953	1.7
75.94610	1.0
83.01391	2.3
84.02164	1.1
85.02956	65.5
86.03291	1.3
87.00899	1.9
89.02456	5.6
91.01925	2.0
95.01398	1.5
97.02958	1.5
99.00890	1.2
101.02451	4.0
108.02176	3.6
111.00854	3.1
113.02407	1.9
119.01379	5.4
119.03541	1.1
129.01930	5.5
133.02963	9.3
134.03799	7.4
135.04532	6.4
147.00891	4.0
147.02994	5.9
147.95735	1.0
149.02460	7.9
150.03236	1.4
150.06808	1.7
152.01186	4.7
159.97897	1.1
161.02451	33.3
162.03120	1.6
162.06834	2.1
163.03970	2.0
163.07660	1.4
164.04816	10.2
165.01991	1.9
173.00861	1.3
174.98827	1.4
175.00368	28.9
179.03474	5.4
179.07146	2.4
180.07915	4.1
181.08698	2.2
185.00899	1.2
189.01956	1.3
190.02727	81.7
191.01823	14.7
191.03369	2.0
191.05750	1.2
192.50726	1.1
193.01465	1.9
193.05066	6.6
194.05368	1.3
205.05063	100.0
206.05446	8.5
208.03825	3.4
209.03033	10.5
221.08279	1.9
223.06171	23.2
224.06421	2.5
232.03802	1.4
237.07468	1.1
247.06264	6.1
265.07141	4.3
304.06958	7.6
304.57184	1.2
325.09286	1.4
385.06879	1.6
385.11456	22.8
386.11713	3.3
388.81964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79762	0.6
55.01887	5.1
57.03450	3.2
59.01392	7.8
69.03460	100.0
69.16802	3.8
70.03794	2.4
71.01388	4.0
72.99314	3.1
75.00856	0.9
79.01886	4.6
83.01402	1.3
85.02953	24.2
85.89023	0.8
87.00906	0.9
89.02431	1.0
90.74283	0.7
97.02962	18.2
97.03596	1.1
99.00891	25.9
101.02424	0.9
111.00892	1.5
112.98834	1.2
129.01933	2.2
141.01956	7.1
142.99828	1.1
146.41443	0.7
147.03011	2.5
155.10834	4.2
161.02473	1.0
174.01743	3.2
185.00928	56.9
185.11911	1.1
186.01344	2.6
187.13383	0.9
191.02003	5.5
194.69989	0.9
199.09816	1.9
203.01938	1.2
209.03017	4.0
211.13451	1.3
223.13425	1.1
267.12427	1.0
294.39911	0.7
349.18823	2.7
385.11374	13.1
386.11838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	1.0
59.01388	1.0
60.07464	0.3
60.97539	0.4
70.96127	0.5
71.01400	0.4
71.45564	0.4
72.99308	0.6
73.98321	1.4
74.99101	100.0
75.99442	0.9
80.75008	0.3
83.01377	0.4
85.02952	0.7
87.00864	1.3
94.75761	0.3
99.49686	0.3
107.05045	0.6
111.00871	0.5
118.98104	0.5
120.99667	1.4
127.07668	0.6
131.05067	3.0
135.04497	0.3
135.08176	1.2
136.99158	89.5
137.99484	1.4
147.02744	0.6
165.03807	12.7
166.04158	0.8
167.62930	0.4
179.03415	0.5
205.12436	0.4
217.12172	0.7
219.13876	4.4
220.14201	0.6
227.10780	2.8
245.11929	1.7
247.13383	2.3
261.09644	0.5
325.60773	0.4
329.73145	0.4
339.50555	0.3
385.13266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98043	1.3
61.07961	0.4
72.99328	0.5
73.98307	1.0
74.99101	100.0
75.99047	0.5
75.99444	0.5
87.00885	1.3
93.16240	0.4
107.05093	0.5
111.38721	0.4
111.84829	0.4
117.45007	0.4
120.99658	2.3
127.07653	0.8
131.05045	2.4
133.06711	0.4
135.08168	1.2
136.99164	85.6
137.99460	1.4
162.53676	0.4
165.03807	10.1
180.39240	0.4
217.12315	0.6
219.13899	3.6
220.14243	0.5
227.10739	2.3
227.41479	0.4
245.11784	1.5
247.13374	2.1
284.28174	0.4
347.46185	0.5
349.50897	0.4
385.13272	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01385	100.0
59.23078	0.7
60.01718	0.9
64.57686	0.6
66.00674	0.7
71.01395	1.6
71.39854	0.7
72.99339	0.7
73.02957	2.2
74.99094	0.9
85.02962	5.8
87.00928	0.7
98.56876	0.6
101.02457	1.6
109.02959	6.2
113.02518	0.8
118.98119	1.8
120.99697	2.6
122.99288	2.7
135.04562	1.1
136.65134	0.7
143.01735	0.8
149.02460	1.3
161.02773	8.0
163.04041	0.7
179.03543	0.8
181.05087	1.2
385.09494	3.0
405.96652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03449	9.0
59.01389	17.3
66.33167	2.5
69.03476	3.2
69.27644	13.0
71.01389	16.5
72.99309	16.9
83.01383	3.8
83.05024	4.1
85.02958	46.4
87.00887	3.8
99.00883	14.5
111.00884	5.7
112.98832	21.8
115.00388	8.5
117.01959	3.7
129.01973	6.0
134.03703	3.5
142.99869	33.8
147.02983	6.4
156.00638	6.5
164.04834	8.7
165.05165	4.0
173.00916	17.0
174.01718	100.0
175.02338	8.1
179.07195	5.0
180.07513	5.2
181.07745	3.0
191.02017	13.8
195.14006	4.3
205.12292	6.6
207.13947	3.6
209.03059	11.6
211.13422	26.0
223.13481	23.9
225.14821	2.8
237.11308	3.1
251.12662	4.4
263.12866	7.9
267.12439	26.0
269.13925	7.2
269.17761	2.8
305.14120	2.9
307.11890	10.5
325.12921	4.9
349.12830	3.6
367.14069	15.4
385.14890	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45464	2.6
57.03454	6.7
59.01385	10.3
69.42984	3.8
69.43375	6.7
71.01395	9.4
72.99311	15.0
74.26719	2.2
76.82985	2.0
83.05042	3.8
85.02955	16.3
87.00890	2.6
95.05003	3.6
99.00900	17.9
99.43286	2.0
111.00906	8.4
112.98820	25.5
115.00390	6.5
124.45307	2.6
142.99893	35.1
156.00650	4.8
156.90814	2.4
173.00957	19.4
174.01709	100.0
175.02451	7.9
191.02054	2.6
205.05078	6.5
205.12349	5.4
207.13881	2.3
211.13432	31.0
218.87598	2.2
223.13353	30.8
235.13589	2.8
237.11401	4.4
237.14861	2.9
249.15092	2.4
251.12808	3.5
263.12817	10.3
267.12424	26.7
287.12610	2.4
293.13968	3.0
307.11835	11.7
320.61816	2.3
349.13034	4.2
367.13998	24.8
368.14374	3.1
385.14749	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	385.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06404	8.7
59.01379	21.9
75.26798	9.5
80.72109	9.2
85.02960	100.0
95.26409	10.8
98.22678	31.6
131.44157	9.3
147.04550	22.1
166.72099	9.8
171.10300	55.9
191.01990	19.0
193.08554	23.8
205.05077	41.6
206.05849	24.1
209.02995	19.9
219.10057	11.7
249.07767	40.0
249.11194	15.7
305.03970	10.6
326.08011	13.8
327.21814	43.9
340.97433	11.2
385.12881	52.2
385.17590	39.5
385.22345	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	387.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18649	0.7
57.40061	0.9
58.69912	0.7
59.01385	1.1
61.98864	0.9
69.03460	11.1
71.01386	0.8
97.02965	5.1
98.22724	1.4
99.77602	0.7
123.21363	0.8
138.40714	0.8
141.57779	0.8
184.40430	0.8
193.28145	0.8
199.04019	4.2
215.32680	0.8
261.09106	0.9
289.08728	100.0
290.09097	12.2
313.12390	1.1
318.08939	14.1
319.09521	1.5
343.13501	1.9
359.12918	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	387.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
57.03444	4.4
59.01086	3.1
59.01385	66.6
69.03463	100.0
71.01389	39.8
71.38167	1.4
72.99316	3.5
73.02955	21.3
73.04073	2.5
74.02481	2.0
75.00875	1.7
78.75887	1.3
79.01897	4.6
83.01395	3.0
85.02956	21.5
87.00877	1.7
89.02457	20.8
92.03087	1.4
95.01372	5.4
97.02969	24.4
99.00883	26.2
101.02453	26.7
113.02457	14.9
119.03505	11.5
121.10272	1.6
123.08183	14.0
137.09744	7.3
141.01959	10.1
143.03494	2.4
159.03008	2.7
161.04581	19.1
163.11278	13.6
173.09811	1.7
185.00926	63.8
186.01268	1.7
189.12889	20.4
201.11392	5.6
207.10236	3.9
207.13925	27.6
208.03004	1.7
208.14107	2.1
225.14929	4.9
227.12930	1.7
271.15421	10.1
316.55524	1.6
327.13980	1.7
345.15781	1.8
356.49423	1.6
357.21457	2.3
387.12683	6.4
387.16574	19.0
387.21695	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	387.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
57.03444	4.4
59.01086	3.1
59.01385	66.6
69.03463	100.0
71.01389	39.8
71.38167	1.4
72.99316	3.5
73.02955	21.3
73.04073	2.5
74.02481	2.0
75.00875	1.7
78.75887	1.3
79.01897	4.6
83.01395	3.0
85.02956	21.5
87.00877	1.7
89.02457	20.8
92.03087	1.4
95.01372	5.4
97.02969	24.4
99.00883	26.2
101.02453	26.7
113.02457	14.9
119.03505	11.5
121.10272	1.6
123.08183	14.0
137.09744	7.3
141.01959	10.1
143.03494	2.4
159.03008	2.7
161.04581	19.1
163.11278	13.6
173.09811	1.7
185.00926	63.8
186.01268	1.7
189.12889	20.4
201.11392	5.6
207.10236	3.9
207.13925	27.6
208.03004	1.7
208.14107	2.1
225.14929	4.9
227.12930	1.7
271.15421	10.1
316.55524	1.6
327.13980	1.7
345.15781	1.8
356.49423	1.6
357.21457	2.3
387.12683	6.4
387.16574	19.0
387.21695	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	387.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	2.1
59.01382	10.9
71.01385	3.6
71.38866	1.8
71.78890	2.0
73.02954	2.7
77.89458	1.5
84.04544	3.3
96.73856	1.7
99.05631	2.3
107.05003	2.4
108.09702	1.9
109.02956	2.4
109.04076	7.0
121.06606	22.5
127.05121	16.1
128.03558	6.7
133.06631	8.1
135.04494	2.8
145.06210	100.0
146.06133	13.1
147.04523	4.7
148.07707	20.5
150.09250	13.9
153.65306	1.8
161.02408	4.3
161.06129	3.1
169.10201	4.4
174.05612	16.1
174.09097	1.8
179.03494	2.3
181.12476	2.5
184.07681	5.4
187.11255	3.4
190.02734	3.6
195.08017	1.8
197.09705	6.9
200.07120	3.2
202.05153	11.5
202.08774	1.8
213.09192	5.3
215.10767	7.6
225.09207	11.8
225.11252	3.6
226.08800	6.3
230.08241	2.3
233.12880	7.0
235.29236	1.7
242.11890	5.7
243.11638	19.1
260.12955	5.9
275.11646	1.9
288.11160	24.8
289.11508	3.5
325.15491	11.4
326.15857	2.4
343.16568	19.6
386.64236	16.9
387.14731	8.0
387.64731	1.9
402.79593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01867	0.8
59.01384	100.0
60.01732	0.8
68.11578	0.7
69.65809	1.9
71.01388	17.4
72.99295	0.8
83.01402	1.0
85.02950	4.1
88.39619	0.8
89.02451	17.0
95.01419	1.2
96.95361	0.7
98.21948	1.4
101.02451	10.9
108.80537	0.7
113.02457	6.4
117.89932	0.7
119.03518	7.0
163.11339	4.6
207.10278	15.6
238.74506	0.7
387.16626	82.1
388.16962	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01384	100.0
60.01708	1.5
63.04149	0.6
67.08772	0.5
71.01389	18.2
72.31716	0.5
72.99337	0.7
83.01405	1.6
85.02954	4.6
89.02452	17.7
95.01396	1.8
98.21862	1.2
101.02445	9.5
109.90265	0.7
113.02457	7.8
119.03513	5.5
119.04983	1.0
121.03008	1.3
129.81487	0.6
137.06084	1.4
143.03500	0.8
147.04655	0.6
157.59023	0.5
161.06064	1.2
163.11278	5.7
165.05583	6.9
179.07143	0.9
183.06610	1.4
207.06847	0.7
207.10257	15.3
387.16626	95.2
388.16998	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01888	2.2
57.03434	1.5
59.01385	100.0
60.01707	1.6
69.03446	1.4
69.37637	2.1
69.38040	4.4
71.01028	1.6
71.01392	23.4
73.02953	20.0
83.01397	7.2
85.02954	14.5
87.00873	2.3
89.02438	8.7
95.01400	1.8
97.02941	1.4
97.99004	1.3
98.22582	2.3
99.00859	1.8
101.02450	22.9
113.02441	9.4
119.03474	2.5
121.10243	6.0
143.03485	2.3
161.04553	5.5
165.09151	2.6
171.91068	1.5
221.32771	1.2
236.26251	1.2
271.15338	1.8
301.16650	6.6
327.14362	4.1
345.15536	5.1
350.35666	1.3
387.16623	37.0
388.16861	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00592	0.8
59.01384	100.0
59.07354	0.7
59.96110	1.1
60.01706	1.1
65.04696	0.7
69.03480	1.5
71.01387	30.2
71.34160	0.8
72.30892	0.7
72.99327	0.9
73.02953	35.9
83.01382	8.6
85.02959	12.4
85.66422	0.8
87.00890	1.7
89.02450	10.5
95.01408	1.5
97.02985	1.5
98.21868	1.4
99.00891	2.3
101.02449	27.1
113.02457	12.7
116.92861	1.0
119.03497	4.0
121.10250	10.7
125.02441	1.3
131.03537	0.9
140.07184	1.7
143.03494	2.0
159.03021	2.6
161.04590	16.7
165.09229	4.5
172.78052	0.7
175.68105	0.7
179.05611	0.8
183.10271	2.1
191.01865	0.9
218.02074	0.8
225.11424	1.8
271.15582	1.1
301.16602	8.6
311.10349	2.2
327.14639	1.9
345.15555	3.6
346.15640	0.9
358.15857	0.8
387.11978	0.7
387.16580	16.3
388.17038	2.1
388.21594	1.3
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
52.62207	0.6
53.30690	0.6
55.01883	2.6
57.03446	2.0
59.01384	100.0
59.25270	0.6
59.95214	0.7
60.01698	1.3
69.03457	1.1
71.01389	34.3
73.02952	24.8
81.03510	0.9
83.01390	7.9
83.67386	0.7
85.02962	14.9
87.00883	2.1
89.02453	12.0
95.01414	2.9
97.03002	1.0
99.00890	2.4
99.04552	0.6
101.02451	30.6
102.02747	0.7
113.02461	12.6
119.03535	4.6
119.54630	0.6
121.10235	6.3
122.06128	2.4
122.10550	0.8
125.02464	1.5
126.05610	0.7
127.01135	0.7
127.05003	0.6
129.01912	0.9
139.11316	1.0
140.07196	16.1
143.03508	1.3
149.04596	0.7
159.03033	0.9
161.04572	8.8
163.11282	0.9
165.09241	0.7
179.05623	1.2
183.10295	1.6
193.05197	0.9
193.84337	0.6
204.07870	0.7
207.10332	0.7
217.08627	0.7
232.11015	0.9
233.11781	2.2
247.13397	0.9
248.14182	2.1
271.13336	0.7
301.16461	11.4
302.16870	1.1
327.14471	4.1
345.15579	10.1
346.16061	0.9
358.16882	1.0
359.17303	5.3
370.20071	0.8
373.19092	1.5
387.16617	49.2
388.16879	4.6
388.21307	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71698	0.7
57.30058	0.7
59.01384	100.0
60.01717	1.9
60.87441	0.8
64.90282	0.7
65.24941	0.7
69.03457	2.5
69.58230	0.7
69.58554	3.1
71.01391	3.1
72.96362	0.7
73.02934	1.0
78.80183	0.8
83.01418	1.3
85.02967	2.5
85.06584	1.0
89.02448	0.9
93.03474	2.7
97.02955	5.0
97.60112	0.9
98.21904	0.9
101.02455	1.5
108.02156	1.2
108.02857	0.8
113.02431	2.5
123.08179	1.1
146.91365	0.8
161.04602	1.4
165.09221	48.9
166.09573	2.9
186.50133	0.8
201.09512	0.9
207.13812	1.4
227.14471	0.8
243.13956	2.1
247.13403	1.5
261.14871	0.8
271.13483	2.1
271.19250	1.9
274.51865	0.8
283.13733	1.3
283.17035	1.9
298.12216	1.7
299.16791	1.6
301.18018	1.5
312.13708	1.3
327.16046	13.6
328.16446	2.0
345.17078	6.0
387.18213	9.0
388.18463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63737	16.3
51.93620	18.4
55.63840	16.3
61.98841	17.1
73.03946	15.5
73.44292	16.1
75.74072	15.2
79.62935	14.6
82.78587	12.9
94.69169	20.3
108.54156	16.3
125.16502	16.0
202.60953	19.1
233.19208	43.7
295.58243	17.4
301.17874	58.4
315.15662	29.9
316.69989	17.1
319.18814	100.0
353.87387	18.8
363.17963	45.0
369.24191	19.7
387.25159	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79801	19.0
69.32439	34.4
69.32835	100.0
91.06311	23.1
96.62432	21.1
267.87250	23.9
321.85068	22.1
360.79153	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54964	4.6
56.02167	4.0
57.03445	18.6
58.03760	4.3
59.01376	16.5
68.99805	4.7
69.04175	8.2
69.04587	22.8
71.01395	6.8
85.02959	100.0
86.03283	23.1
87.03378	11.9
89.02489	6.0
98.21803	7.3
110.87163	4.1
112.01201	4.2
129.02002	5.3
131.02538	4.0
139.04062	5.4
147.03023	8.0
165.05560	12.8
182.48169	4.2
183.06689	7.2
191.02000	13.2
192.02278	9.0
193.02435	9.4
194.02800	4.7
197.04523	5.5
212.03572	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	388.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	88.3
59.44611	22.6
69.38692	100.0
85.02964	78.5
98.21893	37.8
101.24550	19.6
109.26543	19.8
112.55742	26.4
137.21825	20.0
187.67392	21.5
204.96561	23.2
213.40381	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.5
68.83988	22.3
69.48804	100.0
78.53694	20.8
85.02961	71.1
165.05573	43.3
183.06717	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	388.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58832	3.4
55.58624	3.4
57.03440	15.4
59.01385	65.8
69.76503	10.0
69.76848	5.1
71.01382	28.3
72.01720	3.9
72.52094	3.9
73.02958	10.7
76.76046	3.6
81.24954	3.8
83.01398	12.3
85.02465	7.4
85.02959	100.0
85.03475	5.1
89.02445	4.7
95.01387	5.6
99.00842	3.9
101.02444	14.9
111.00881	12.3
113.02429	10.7
129.01952	13.0
129.82458	3.6
134.03748	8.0
147.02927	4.5
150.03188	7.9
161.04570	4.0
167.10757	4.7
176.14525	3.8
178.02736	4.7
183.10303	60.1
185.12006	4.8
191.02081	4.9
193.05098	11.7
195.25644	3.5
205.03481	9.8
250.65431	3.9
295.03693	4.0
303.18057	4.4
329.16119	34.9
347.17111	17.4
371.83267	3.7
389.18259	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	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	2.6
59.01376	36.9
61.98834	100.0
71.01368	5.8
81.03439	2.7
85.02962	4.6
86.49294	2.7
122.56320	2.6
133.03055	2.8
218.86388	2.6
231.14153	2.9
249.15150	4.9
260.56027	2.4
273.11316	2.6
306.25168	3.1
317.13843	11.6
329.17514	10.3
347.18674	25.4
377.09302	3.1
389.19199	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	388.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.40898	0.6
57.03452	5.8
59.01383	12.4
59.74428	0.6
71.01377	4.7
71.38498	0.7
73.02925	1.4
75.00874	1.1
80.05057	1.9
83.01400	2.6
84.02141	0.6
85.02953	40.8
89.02479	0.9
94.02985	0.9
94.06638	1.9
95.03784	0.7
96.04566	4.2
101.02444	2.3
103.00394	0.6
108.04563	1.9
110.06103	1.6
111.00901	2.9
113.02483	1.6
116.07183	0.5
116.65405	0.5
116.92940	0.6
121.02968	1.0
122.03728	1.1
122.06127	16.7
126.05647	3.5
129.01942	5.6
134.03770	1.0
135.04552	1.5
137.06088	2.8
138.05624	4.3
140.07185	100.0
141.07515	3.9
147.03033	5.0
149.06035	1.1
150.06834	0.8
153.05545	0.8
161.04662	0.9
163.07681	1.6
165.09167	0.7
168.10335	3.0
183.10252	1.1
189.05612	1.1
191.02005	5.3
197.04591	0.7
204.07921	7.9
205.03583	1.8
205.08348	0.8
207.13934	1.4
209.02997	3.1
217.08769	2.1
218.09503	1.2
219.10184	0.8
219.13794	0.7
220.11115	2.2
231.10277	0.8
232.11066	8.2
233.11816	14.6
234.12238	1.6
235.13304	0.8
246.12560	1.2
247.13377	4.7
248.14171	15.8
249.14880	4.4
253.12434	0.9
260.09262	0.8
261.10187	1.4
261.14941	1.7
268.14767	2.7
271.13440	5.4
272.13336	1.8
283.16986	3.3
290.13907	3.5
291.14627	0.8
301.18042	5.2
303.17856	0.7
314.13931	0.8
326.13754	0.6
329.16147	1.6
344.15009	1.7
347.17264	1.5
355.17996	1.6
358.16501	5.6
359.17386	33.1
360.17795	4.8
370.20276	3.1
373.18927	8.0
374.19275	1.3
388.21304	50.6
389.17853	2.2
389.22086	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03453	12.5
58.03773	0.3
58.89534	0.3
59.01383	8.0
67.01865	0.4
68.99810	0.5
71.01385	4.6
71.37275	0.5
72.99316	1.5
73.02958	0.7
75.00879	2.7
76.79800	0.3
83.01391	2.9
84.02157	1.7
85.02956	100.0
86.03293	2.3
87.00875	0.7
88.80404	0.4
89.02474	1.1
93.25629	0.3
96.23252	0.3
99.00890	0.7
101.02443	1.1
103.00372	1.4
111.00890	4.7
115.00377	1.3
121.02964	3.4
129.01958	7.4
129.02779	0.3
129.03989	0.3
133.01396	0.6
138.03223	0.6
145.01326	0.3
147.03006	13.8
148.03369	0.4
153.05569	1.9
173.00952	1.2
191.01985	18.8
192.02258	0.4
197.04584	3.0
209.03030	11.2
210.03253	0.4
285.55417	0.3
288.52930	0.3
389.07346	1.0
393.69037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03456	13.0
59.01384	8.5
59.85022	0.6
60.55439	0.6
61.81087	0.6
69.60385	1.5
69.60767	1.4
71.01392	4.1
72.99316	3.0
73.02951	0.7
75.00871	2.5
78.21761	0.5
83.01408	3.3
84.02171	0.9
85.02958	100.0
86.03296	2.8
87.00891	1.0
89.02454	1.2
99.00901	0.9
101.02464	1.4
103.00382	1.6
104.73345	0.6
111.00896	6.7
115.00392	1.8
121.02954	3.6
129.01958	9.0
143.94611	0.6
147.03015	14.2
153.05595	2.1
157.21216	0.5
163.02490	0.9
173.00952	1.7
182.02185	0.7
185.77322	0.7
191.00249	1.0
191.01978	18.9
192.02228	0.7
197.04536	4.1
209.03029	13.2
216.88994	0.6
261.08871	0.6
298.21048	0.6
345.24466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03452	11.6
59.01382	8.4
60.14576	0.2
62.76367	0.3
68.99836	0.3
69.16047	1.6
71.01385	2.9
72.99314	0.9
73.02940	0.6
75.00880	1.5
83.01391	2.3
84.02195	1.4
85.02956	100.0
86.03291	2.4
87.00881	1.0
89.02448	0.6
94.09285	0.3
99.00883	0.4
101.02444	0.8
103.00371	1.4
104.87701	0.3
105.47763	0.3
111.00884	3.7
115.00427	0.5
121.02969	2.5
123.00908	0.3
129.01958	9.0
133.01360	0.5
134.03731	1.8
147.03014	15.0
148.03371	0.4
149.02420	0.6
149.06059	0.4
150.03206	1.8
153.05574	1.2
163.02484	0.3
165.05583	1.9
172.27144	0.3
173.00966	1.6
178.02701	0.5
179.65877	0.3
191.01990	18.6
192.02364	0.7
193.05064	1.7
195.06555	0.6
197.04530	2.6
209.03044	8.5
210.03278	0.4
229.91306	0.3
313.30838	0.2
341.10458	0.7
346.47394	0.3
389.07056	1.2
389.11737	0.3
389.17752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90459	0.5
57.03443	1.4
59.01385	8.7
69.03446	0.6
69.10545	1.4
69.10963	2.0
69.77197	0.5
71.01389	12.5
72.99303	1.7
73.02959	3.4
83.01385	1.8
85.02953	5.9
87.00857	0.5
89.02451	1.5
89.33230	0.5
101.02457	2.7
111.00878	0.7
113.02438	0.7
115.00384	17.9
121.02933	0.7
129.43713	0.5
131.03534	0.6
133.00449	1.2
133.01443	15.8
135.04486	0.6
135.98300	0.6
147.30392	0.5
161.02422	0.5
161.04575	0.8
167.10765	1.5
174.47705	0.5
182.91693	0.5
190.95049	0.6
191.02042	0.9
194.26210	0.6
201.09248	1.8
206.11858	0.5
213.05766	0.6
214.06372	16.9
215.06665	1.0
229.08710	100.0
230.09042	7.0
240.04375	0.9
246.05334	3.2
255.06621	6.4
255.16032	0.7
273.07709	21.4
273.17242	1.0
274.07986	1.2
311.80573	0.6
329.16412	0.6
347.18073	0.9
389.08466	1.2
389.18115	0.9
389.25504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03455	12.3
58.03778	0.4
59.01385	63.6
60.01700	0.7
66.19099	0.4
68.73243	0.4
68.99824	0.4
69.38489	1.8
70.92080	0.4
71.01388	5.4
72.99321	1.4
73.02950	1.0
75.00900	2.2
79.90267	0.4
83.01402	2.2
83.16140	0.4
84.02188	1.5
85.02958	100.0
86.03296	2.2
87.00899	1.0
89.02450	1.7
99.00915	0.4
101.02448	2.0
103.00363	2.0
111.00875	4.6
113.02444	1.5
115.00343	1.1
119.03486	0.5
121.02956	0.5
121.06608	0.8
129.01959	9.2
129.74866	0.4
134.03712	1.3
145.01483	0.4
147.03006	11.4
148.03392	0.5
148.48077	0.3
149.06079	0.8
150.03180	1.6
153.09247	1.3
161.04553	0.6
162.87546	0.4
165.05568	1.1
166.15059	0.4
167.07170	4.1
173.00844	1.4
184.92802	0.4
191.01984	22.0
192.02316	0.7
193.05013	1.5
195.06570	0.7
197.08186	0.7
209.02931	1.6
389.10950	4.4
389.17899	1.8
390.10968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
57.03450	12.6
59.01384	13.3
65.14959	0.3
68.99827	0.5
70.37674	0.5
70.38012	0.6
71.01392	4.7
72.99310	1.5
73.02956	1.1
75.00870	1.9
81.85234	0.3
83.01400	2.8
84.02174	1.3
84.95727	0.4
85.02957	100.0
86.03296	1.9
87.00889	1.2
89.02462	2.2
99.00896	0.6
101.02439	2.0
103.00381	1.6
111.00894	4.0
113.02466	0.6
115.00374	0.6
119.03518	0.5
121.02984	1.1
129.01961	8.7
133.01488	0.4
134.03748	1.8
145.01421	0.6
147.03008	12.7
148.03339	0.6
149.02379	0.5
150.03261	2.4
153.05588	0.7
153.09233	1.0
161.04619	0.5
165.05595	2.7
166.05858	0.4
173.00948	1.7
176.81293	0.4
178.02682	0.7
191.01993	24.2
192.02318	0.8
193.02251	0.3
193.05070	2.1
195.06554	0.8
197.04547	1.4
197.08194	0.7
209.03053	3.1
259.12332	0.3
341.10291	0.7
360.37720	0.4
371.10019	0.8
389.11124	2.6
389.17786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37182	0.3
55.01873	2.5
55.39951	0.3
57.03451	12.8
59.01384	16.2
60.01709	0.4
61.98823	0.4
67.01876	0.4
68.99826	0.4
69.73877	0.9
69.74279	0.6
71.01389	3.8
72.99315	1.0
73.02936	0.6
75.00871	1.1
83.01388	2.1
83.39979	0.3
84.02171	1.3
85.02956	100.0
86.03289	2.0
86.35487	0.3
87.00886	0.8
87.96647	0.3
89.02453	1.1
96.88783	0.3
99.00883	0.4
101.02465	1.2
103.00374	1.7
111.00900	3.1
113.02422	0.7
115.00359	1.0
121.02950	2.5
129.01958	9.3
133.01404	0.9
134.03764	1.0
147.03011	13.5
149.02463	0.5
150.03203	1.5
153.05577	1.5
153.09221	0.4
161.04576	0.7
165.05600	1.7
173.00943	1.2
178.02762	0.5
191.01993	20.4
192.02376	0.6
193.05013	1.7
195.06622	0.9
197.04578	2.8
209.03036	4.9
273.07706	0.6
292.90720	0.3
341.10291	0.4
389.11188	2.1
389.17801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14758	0.5
55.01877	0.9
57.03455	7.5
58.38142	0.5
59.01383	100.0
60.01728	1.7
69.62246	2.5
71.01382	4.6
72.99315	1.1
73.02962	1.0
75.00887	1.0
83.01406	1.7
84.02191	0.7
85.02954	59.3
86.03301	1.0
89.02463	1.5
90.63746	0.6
101.02469	1.8
111.00899	2.1
113.02489	1.7
115.52314	0.6
121.02992	2.4
127.02332	0.6
127.04085	1.4
129.01956	4.5
134.03743	0.7
147.03003	6.3
149.06154	0.8
153.05594	1.4
162.08777	0.7
165.05542	0.6
167.07159	1.7
173.00951	0.7
191.01991	10.7
191.05597	0.6
197.04535	3.8
198.04883	0.8
209.03020	3.1
249.98439	0.6
298.12683	0.5
329.12369	0.9
346.65884	0.7
389.10861	1.2
398.72583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84782	0.4
55.01884	3.1
56.05489	0.4
57.03454	13.8
59.01384	26.5
67.01901	0.7
68.99825	0.5
69.03465	0.6
71.01388	12.0
72.99313	1.1
73.02955	4.2
75.00882	2.7
83.01392	8.6
84.02176	1.9
85.02958	100.0
85.53336	0.4
86.00098	0.6
86.03295	2.3
87.00882	1.2
88.01649	0.5
89.02454	1.1
93.03464	0.4
95.01376	0.8
98.21877	1.6
99.00914	1.1
101.02451	7.9
103.00461	0.6
103.03989	0.5
111.00893	16.1
113.02457	3.2
115.00388	0.5
121.02967	1.5
122.03794	2.3
123.04541	0.8
129.01961	22.5
131.58572	0.4
133.02966	0.5
134.03754	13.1
135.04062	0.5
137.02463	0.5
141.00484	0.4
143.03503	0.5
147.03006	2.1
149.02451	2.9
149.06067	1.9
150.03239	13.5
151.04045	2.7
153.09267	0.5
159.03053	0.7
161.04546	4.6
165.05574	14.4
165.09161	0.5
166.05928	1.2
178.02715	4.5
180.04243	0.8
181.05067	1.8
183.10281	6.6
185.11778	0.7
187.02477	0.9
191.02013	3.0
193.05070	13.6
194.05403	1.1
195.06630	6.5
205.03540	16.5
209.03053	1.5
251.12865	1.1
303.18161	2.4
304.18500	0.5
329.16211	2.7
341.10345	1.4
347.17126	3.9
389.07324	0.6
389.14120	1.1
389.18317	12.5
390.18518	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03179	0.6
57.03452	12.5
59.01384	16.3
68.99826	0.4
69.05562	3.0
69.68858	0.4
71.01388	5.1
72.99306	1.6
73.02953	1.0
75.00882	2.7
78.95946	0.4
83.01389	2.5
84.02174	1.1
85.02957	100.0
86.03288	2.1
87.00894	0.9
89.02455	1.3
101.02447	1.8
103.00394	1.3
111.00888	4.8
113.02471	0.6
115.00367	0.7
119.03503	0.7
123.04530	1.4
127.00346	0.6
129.01958	7.9
134.03749	1.2
135.04546	0.7
147.03003	10.7
147.04138	0.7
149.06131	1.0
150.03214	2.0
161.02460	0.8
165.05569	1.4
167.07120	0.5
173.00961	2.5
191.01988	33.9
192.02367	1.2
193.05103	1.6
197.11830	1.4
310.08530	0.5
389.14227	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	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03449	0.3
57.21803	0.1
59.01385	100.0
60.01715	1.3
63.26737	0.1
69.32668	0.4
71.01389	2.6
73.02955	0.4
81.03436	0.1
83.01409	0.3
83.05019	0.4
85.02956	3.1
87.00903	0.1
89.02454	1.8
95.01415	0.2
97.02979	0.2
98.21912	0.2
101.02458	0.8
106.04272	0.2
108.02141	0.1
109.03005	0.2
111.00894	0.1
113.02454	1.9
113.03161	0.1
119.03519	0.7
119.05034	0.2
121.02976	0.2
121.06613	1.8
123.04523	1.1
125.06099	0.2
127.04012	0.8
129.01971	0.2
131.03540	0.1
132.13274	0.1
134.03717	0.1
137.06168	0.1
139.02269	1.3
139.07712	0.3
143.03532	0.2
145.06651	0.2
147.03046	0.4
149.02312	0.1
149.06119	1.0
159.89510	0.1
161.04565	0.7
163.07697	0.4
165.05612	0.1
167.07146	7.7
168.07489	0.4
173.06203	0.1
175.07776	0.1
179.05626	0.5
191.01955	0.9
191.07188	0.8
209.03101	0.2
209.08257	0.3
251.09366	0.2
301.07678	0.1
329.12540	0.2
389.14359	0.1
389.18442	0.6
390.18729	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28056	0.5
52.47940	0.5
55.01869	0.7
57.03452	2.1
59.01385	100.0
60.01719	1.5
65.20196	0.5
69.66872	1.9
71.01391	4.7
85.02958	17.1
89.02451	6.3
95.91834	0.6
96.28017	0.5
98.22636	0.6
101.02473	1.7
113.02477	2.3
119.03530	2.1
121.06608	1.0
129.01956	1.6
147.03056	2.4
149.06055	0.5
167.07133	4.5
167.73349	0.6
179.05678	1.9
191.01965	2.5
191.07080	0.9
209.03105	0.9
245.02390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03453	16.0
59.01385	32.6
61.51485	0.6
67.01877	0.7
68.82092	0.6
69.03479	0.7
69.22763	3.6
69.23048	1.1
69.40002	0.6
71.01395	8.7
71.05009	0.7
72.99303	1.2
73.02962	4.0
75.00872	2.4
83.01395	9.5
84.02181	1.7
85.02959	100.0
86.03300	2.2
89.02451	1.9
99.00917	0.8
101.02453	7.5
111.00893	13.0
113.02478	2.6
115.00373	1.2
119.03520	1.1
120.00137	0.7
120.52831	0.6
121.03004	0.7
121.10223	1.0
122.06145	1.4
128.59254	0.6
129.01959	18.5
130.02292	0.7
134.03752	0.9
135.04530	1.3
140.07190	6.6
141.01915	0.7
141.07552	1.9
143.03477	1.9
143.96983	0.6
147.03001	4.7
150.03215	1.8
159.82018	0.6
161.02528	0.7
161.04602	3.4
165.05534	1.1
173.00926	2.4
177.03922	1.1
183.10292	5.6
185.11888	1.6
191.02007	9.2
193.05058	1.4
197.04533	1.5
205.03557	13.2
209.03084	3.9
229.08719	0.8
232.11058	0.8
233.11702	1.2
249.14557	0.8
303.18182	1.9
329.16125	2.4
347.17181	2.8
359.17297	1.3
360.17679	3.5
385.45483	0.6
389.14066	1.1
389.17917	7.0
389.21899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03454	3.5
59.01383	100.0
61.98812	1.1
65.43816	0.9
69.03465	3.0
69.05128	2.1
69.05527	5.6
71.01387	15.2
72.99308	1.1
73.02947	4.3
83.01402	1.2
85.02955	26.1
87.00870	1.9
89.02455	11.0
95.01453	1.1
97.02970	2.5
99.00906	2.2
101.02457	9.6
111.00842	2.2
113.02452	7.9
119.03506	5.2
121.02959	2.5
122.67716	1.0
123.04533	3.2
129.01965	2.8
134.03801	2.0
135.04526	1.1
147.02934	1.9
150.03268	1.6
151.04100	1.7
153.05618	2.9
161.04585	10.4
165.05608	1.8
167.07205	2.8
179.05629	3.4
191.01968	3.5
191.05624	1.9
193.05025	1.9
197.04565	4.2
301.33978	1.2
389.18198	2.0
390.17725	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	389.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51901	0.9
57.40680	0.9
59.01384	14.2
71.01379	1.5
72.04176	1.1
85.02952	4.6
138.63313	1.2
157.07655	1.3
158.03728	1.3
159.04472	3.9
160.05304	4.6
167.10712	1.0
172.05302	27.8
173.06038	7.1
174.06830	1.9
175.26248	1.1
185.06094	2.4
186.06853	1.4
187.04048	5.6
187.07591	1.9
188.64333	1.1
201.05524	4.6
202.06297	7.3
204.04256	2.6
231.13875	1.2
255.13847	1.4
257.15405	4.0
283.13425	100.0
284.13718	12.7
287.11923	1.5
299.16504	1.0
301.14481	55.7
302.14749	5.2
309.14981	5.0
310.15326	1.5
311.54468	1.3
327.16049	13.5
328.16278	2.1
329.17584	2.5
345.17108	34.7
346.17169	3.7
347.18533	3.9
389.19559	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	389.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77062	0.7
53.77378	0.9
56.97562	0.9
58.02972	2.4
59.01382	21.9
66.63200	0.7
69.03446	1.4
71.01383	8.9
71.05029	2.5
72.00912	2.5
72.04545	2.9
72.99309	0.8
73.02947	6.7
74.02476	43.5
83.01394	1.7
83.05055	1.3
85.02953	8.1
87.00893	1.1
89.02457	2.3
98.22616	2.7
98.32040	0.8
100.07713	0.8
101.02468	5.8
101.67957	0.8
113.02460	2.7
116.05070	20.4
117.05423	1.2
119.03518	1.1
119.05057	3.6
121.06633	1.2
123.08181	8.7
124.76141	1.0
129.01912	1.3
129.66721	0.8
130.06573	1.1
135.04536	4.1
140.10822	2.2
141.09239	22.9
142.06656	5.7
142.09520	1.2
149.19926	1.1
154.12314	1.6
158.11900	1.1
159.08125	0.9
159.09242	4.8
161.02467	0.9
161.04695	0.9
167.07143	2.3
167.10791	3.0
174.68672	0.9
179.03552	6.0
185.08229	7.9
185.11815	2.4
186.05553	1.0
189.76770	0.9
191.02016	1.8
198.11415	1.3
203.08272	32.8
204.08583	2.0
242.10339	7.7
260.11411	6.7
283.18246	2.5
324.10388	1.1
327.17007	1.7
329.15894	2.3
345.13272	1.1
345.17319	1.4
347.17029	8.1
371.16104	11.3
372.16483	2.9
389.17316	100.0
390.17529	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	389.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35213	0.8
57.03465	1.1
59.01383	18.7
60.45037	0.7
65.97827	0.7
69.03442	0.8
71.01390	2.5
71.39441	0.8
72.00907	2.5
72.04565	1.7
73.02954	2.0
74.02482	73.5
74.99107	1.9
75.02834	1.0
76.15760	0.7
83.01398	0.9
85.02979	5.1
89.02468	1.0
93.43163	0.8
95.33423	0.8
97.06583	1.5
101.02475	2.7
106.06631	2.8
106.33543	0.7
109.06610	1.2
113.02473	1.6
114.09239	0.9
116.05078	22.8
117.27610	0.8
123.08146	1.5
124.07667	2.9
128.10909	1.7
130.06676	1.0
135.04483	1.1
136.99127	1.8
138.09235	2.7
141.09239	14.0
142.06625	4.9
142.08701	4.5
149.06078	0.8
156.10316	1.9
159.09297	5.1
161.02467	1.3
162.63882	0.7
173.25334	0.7
180.10297	3.4
182.08136	1.1
185.11809	0.8
186.05617	1.3
194.02118	0.8
198.11385	8.7
200.09300	18.8
201.09645	1.5
203.08281	54.7
204.08568	3.4
242.10303	1.1
260.11377	1.1
283.18192	1.2
285.11203	0.8
285.16074	6.2
327.17111	7.5
328.17343	1.3
329.15085	43.8
330.15402	4.9
345.16748	0.8
347.17072	2.6
353.15228	1.5
367.10089	0.9
371.16095	11.8
372.16684	1.3
389.17206	100.0
390.17514	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	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.92410	0.6
51.72036	0.8
55.01874	2.7
57.03455	12.2
59.01384	100.0
60.01704	1.0
60.99323	0.7
69.72471	2.0
71.01386	24.1
71.24625	0.6
72.99316	2.0
73.02953	2.0
75.00892	1.4
83.01398	3.7
84.02139	1.1
85.02956	95.5
86.03296	2.2
87.00884	0.9
88.84445	0.6
89.02449	18.2
95.01395	1.6
99.00861	0.7
101.02452	12.9
103.00387	1.1
111.00925	4.1
113.02449	8.5
115.00386	1.1
119.03513	7.1
121.02936	1.3
129.01950	6.5
131.03482	0.8
134.03773	1.2
147.03014	14.2
147.11801	2.1
149.02512	1.1
150.03250	1.3
153.09233	1.0
163.07680	0.7
165.05577	1.7
167.07120	2.7
173.00951	2.0
191.01990	18.9
191.03615	1.4
193.05083	2.1
209.02977	3.2
209.11842	11.8
210.12177	0.8
227.12807	1.1
233.60410	0.7
250.73639	0.6
389.10602	2.3
389.18195	83.0
390.11765	0.6
390.12955	0.7
390.18408	7.8
398.78119	0.7
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
50.42773	3.0
56.30482	3.1
57.03454	3.4
59.01384	76.8
71.01382	26.2
73.02948	16.4
82.37038	2.8
83.01409	5.1
85.02950	23.5
89.02448	6.2
101.02471	26.3
113.02451	10.4
115.76917	3.7
135.04504	3.1
139.11240	3.8
161.04535	5.6
165.12859	10.8
167.10715	7.6
177.03429	7.0
179.75963	3.5
183.13930	28.2
184.14224	4.1
185.11844	100.0
227.12952	61.5
228.13145	5.1
251.12865	4.4
263.28909	3.0
270.80450	3.0
303.18076	4.3
329.15991	12.6
347.17108	18.1
373.96344	3.7
389.18216	47.3
390.18692	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83102	0.6
55.01875	4.3
57.01583	0.6
57.03454	8.1
59.01384	100.0
60.01717	1.4
69.03477	1.5
69.32800	2.5
69.33211	0.9
71.01390	28.3
72.99323	1.2
73.02948	14.3
75.00873	1.3
83.01394	10.0
85.02959	44.5
86.00117	1.5
86.03326	1.0
87.00902	1.2
89.02470	1.7
92.78923	0.6
95.01395	4.1
97.02967	2.1
99.00893	5.1
101.02451	28.6
101.03118	1.4
102.02747	0.7
111.00906	5.2
113.02457	10.5
122.03707	1.0
125.02454	0.8
129.01955	7.6
134.03758	5.5
135.35681	0.7
143.03508	2.1
149.02493	2.1
149.06131	1.0
150.03258	6.6
159.03018	1.7
161.04568	6.8
165.05612	7.5
178.02808	2.0
183.10289	1.7
184.52310	0.7
185.11894	2.7
191.02097	1.1
193.05109	6.3
195.06667	2.8
205.03598	5.3
263.16504	0.7
273.17215	0.7
273.20871	0.7
285.17050	1.2
293.95764	0.7
303.18164	17.5
304.18552	1.9
305.82599	0.7
329.16113	9.0
330.16269	2.2
347.17130	16.1
348.17255	1.7
389.18207	72.7
390.18539	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	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
56.16714	0.6
57.03452	3.1
59.01384	85.8
60.01724	1.6
69.03484	1.0
69.15066	4.1
71.01385	28.6
73.02946	15.1
75.00911	0.7
79.71345	0.6
83.01384	8.3
85.02954	22.0
86.00105	1.8
86.99480	0.7
87.00889	2.7
89.02453	2.4
95.01405	2.1
97.02992	1.1
98.15771	0.7
99.00892	4.5
101.02448	31.0
102.02831	0.7
111.00932	1.4
113.02450	12.7
113.03163	1.0
125.02493	0.8
133.03027	0.7
135.04619	0.8
138.85442	0.6
143.03502	2.0
149.29890	0.6
159.03062	1.6
161.02507	1.4
161.04555	5.8
183.13873	0.9
185.11835	3.6
285.17059	0.7
296.38876	0.7
303.18149	16.3
304.18472	1.6
329.16068	11.2
330.16422	1.1
337.71350	0.7
346.39957	0.7
347.17102	24.9
348.17453	3.1
367.09985	1.6
367.60410	0.9
389.18188	100.0
390.18481	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.00599	0.6
59.01125	0.7
59.01388	8.6
69.15338	0.5
71.01383	6.3
71.43085	0.5
73.02940	1.0
83.04977	0.5
85.02957	3.1
87.02742	0.7
89.02451	3.4
95.01374	0.9
101.02440	2.4
111.08164	1.7
113.02454	5.1
119.03516	1.2
140.07188	0.6
143.03566	0.7
149.21976	0.5
161.04514	1.0
165.12857	24.8
166.13153	1.1
179.05658	0.7
181.12405	0.5
183.13911	77.0
184.14235	6.3
197.15538	1.9
207.13940	2.9
208.54884	0.5
209.11908	2.6
225.14935	1.7
227.12903	100.0
228.13219	6.3
251.12933	5.1
259.13794	2.7
269.13977	2.4
281.13705	0.5
293.14090	1.0
375.07559	0.5
389.18033	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03455	1.4
59.01387	11.1
70.49043	2.2
71.01392	5.5
72.97513	1.0
73.84072	0.8
82.54771	1.0
84.44473	1.0
85.02959	4.1
89.02456	3.1
91.24982	0.9
99.04510	1.3
101.02438	2.7
102.20500	1.1
111.08163	1.4
113.02464	4.4
114.37999	1.1
121.74551	0.9
143.03566	1.1
161.04613	1.1
165.12839	21.2
166.13248	1.3
183.13918	73.3
184.14261	4.7
197.96231	0.9
207.13834	3.1
209.11905	2.8
227.12907	100.0
228.13275	6.1
251.12932	5.1
264.61295	1.1
269.13867	1.5
343.81351	1.2
347.18683	2.7
389.17685	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	389.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74096	2.9
59.01383	100.0
61.98830	3.9
70.72601	4.9
95.05022	9.9
98.10815	2.5
98.22411	4.2
98.24755	2.5
139.07666	38.5
144.83966	2.9
151.07732	3.2
190.11801	2.8
207.13982	3.0
231.13841	6.8
311.16486	12.7
371.18600	40.1
372.19101	4.0
389.14682	3.0
389.19775	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	389.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08251	0.8
57.61820	0.7
59.01384	100.0
60.01713	1.9
61.98838	1.9
67.01897	1.9
69.51475	0.9
70.38657	0.9
71.01363	1.1
71.05030	8.8
76.65897	0.8
83.05024	1.0
85.06591	1.9
95.05039	4.7
96.96032	0.9
97.06599	3.7
106.38425	0.8
109.06613	1.5
117.50771	0.8
123.08147	1.3
125.06139	0.9
127.00043	0.9
137.09729	1.5
149.09724	1.1
150.06863	1.1
151.07657	3.2
151.11287	2.1
151.14426	0.9
153.05574	1.7
165.09184	2.6
175.07674	1.1
177.09326	1.1
178.33644	0.9
179.10843	0.8
191.07182	0.9
193.08745	1.4
197.22517	0.9
201.05640	0.9
203.07121	2.0
204.07957	1.1
207.13814	4.0
215.10706	0.9
218.09424	2.1
219.06699	1.6
231.10243	2.2
235.09785	1.1
247.13525	1.7
269.08197	4.8
271.13516	1.2
284.10565	8.3
285.11249	0.8
287.09332	4.9
290.15247	3.0
299.12967	13.1
300.13669	7.7
301.14221	1.4
301.17828	0.9
302.11511	1.9
311.16537	1.9
314.15265	3.5
317.13962	57.2
318.14325	6.4
329.17606	18.0
330.17819	2.7
371.18625	3.5
389.19601	3.5
403.47321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.7
57.03446	1.7
59.01385	100.0
69.29022	3.9
71.05032	2.9
81.03470	1.8
83.01405	1.8
85.02954	5.2
85.06630	0.9
92.40990	0.6
95.05062	1.2
97.02964	0.9
97.06617	1.5
99.04542	3.0
123.08228	0.8
135.08199	2.4
137.06146	0.8
144.27118	0.7
144.92754	0.6
147.03146	0.8
147.08191	1.8
149.06189	0.8
151.07700	1.7
163.11320	1.4
164.80568	0.6
165.09265	1.3
177.09245	2.1
193.08647	0.7
195.10339	0.9
201.09242	0.7
204.07770	0.7
213.09319	1.4
217.15948	1.2
219.10429	1.3
231.10312	4.5
231.13998	1.8
232.10869	1.0
234.12599	1.5
245.15465	8.8
245.17784	0.7
247.13420	1.2
248.14310	1.8
249.11195	3.2
249.14955	6.9
261.18732	0.8
263.16522	8.1
273.15100	2.2
275.93915	0.7
284.10532	1.4
285.15198	0.7
287.16638	1.6
290.15259	1.0
291.15936	0.7
296.14252	1.4
299.12958	2.5
300.13666	1.5
301.17725	0.9
305.17612	0.8
311.16473	4.6
317.13959	11.2
318.14450	1.7
329.17609	18.3
330.18109	1.7
332.16101	1.0
347.18658	45.6
348.19104	5.3
371.18665	4.4
389.19702	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	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13999	1.1
55.91571	1.1
59.01387	100.0
62.45545	1.0
69.57278	2.0
69.57693	3.3
71.05026	9.0
74.73182	1.2
82.09364	1.1
95.05024	3.0
97.06592	4.0
132.05968	1.1
135.08156	2.0
136.05316	1.1
151.07635	2.3
153.05589	1.7
165.09206	3.0
177.09212	6.0
195.10083	1.4
203.07164	1.5
207.13916	3.0
207.79323	1.0
218.09396	1.6
231.10307	1.8
235.09650	1.4
269.08090	2.6
284.10547	8.1
287.09247	4.3
290.15240	4.5
299.12946	12.9
300.13620	6.0
302.11517	3.2
314.15167	3.3
317.13956	63.3
318.14410	6.9
329.17624	15.8
330.17825	2.6
368.30856	1.1
371.18469	2.8
389.19714	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	389.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03458	4.7
59.01383	52.7
62.32832	0.7
66.52744	0.6
68.20449	0.6
68.99004	0.6
69.03447	1.6
71.01381	2.1
71.05008	0.9
81.03463	5.1
83.05011	1.0
85.02959	26.6
85.03482	1.3
93.06678	0.6
95.05043	2.1
97.02962	2.4
97.06615	2.0
99.04523	12.5
108.02188	3.5
111.04548	2.1
113.06111	0.8
120.98768	0.7
121.06622	1.0
123.13435	0.6
125.06093	0.7
134.03738	0.9
135.08176	9.2
137.06094	1.4
137.09674	0.8
149.06108	1.7
151.07655	3.6
161.09819	0.9
163.07668	1.1
165.09300	0.6
173.06085	0.9
174.03244	1.3
174.06927	0.7
175.07628	3.7
176.04749	1.1
185.06105	5.0
185.09740	1.4
187.03970	1.4
187.11353	0.9
195.10268	1.5
197.06088	2.2
200.04790	0.8
201.09146	1.1
203.07040	0.8
203.10811	1.1
203.14449	1.5
205.08684	1.5
216.11588	1.1
217.12305	0.8
218.09573	0.8
219.10233	1.0
226.09975	1.4
231.10243	2.3
231.13936	6.2
234.12611	3.8
243.13994	0.9
245.15463	1.0
247.13550	1.2
249.11328	3.9
249.14984	28.5
250.15369	3.3
255.13956	1.2
259.13416	2.5
267.13800	1.2
273.14944	10.8
274.15335	1.3
283.16983	1.5
285.14954	2.2
291.16141	3.9
296.14294	0.9
303.16055	1.0
309.14948	14.4
310.15421	1.6
311.13031	1.5
311.16495	3.0
314.15332	1.6
317.14014	1.6
317.17487	1.1
327.16037	12.9
329.14023	1.7
329.17612	12.6
332.16321	1.0
345.17029	2.7
347.18652	100.0
348.18948	11.4
371.18509	1.5
389.19797	12.7
390.20074	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	95.3
70.95506	98.8
94.80091	90.8
137.01263	83.3
276.80695	83.3
280.34940	100.0
281.39563	78.5
363.89758	79.7
385.87347	97.7
389.21671	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18366	100.0
77.83195	15.3
87.44827	15.6
271.92120	17.7
394.03107	22.1
408.26651	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	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57847	40.5
60.63691	50.3
69.61639	100.0
69.62032	97.9
72.57900	41.6
80.00523	38.7
83.30299	42.8
88.93576	35.6
98.21979	42.2
105.82063	39.7
106.43002	44.3
123.14597	45.3
141.24059	40.7
265.90683	43.6
294.36957	39.3
296.94131	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91112	79.0
51.06510	73.6
88.06334	75.3
97.67664	74.7
115.60005	72.2
121.62538	90.4
141.48213	93.6
199.50827	100.0
219.18961	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65184	3.3
57.03442	7.4
59.01384	100.0
70.71893	5.4
70.72922	3.9
71.01381	29.3
73.02946	9.2
83.01399	4.3
85.02954	20.9
87.04539	15.0
89.02470	14.6
93.03490	4.9
97.02922	6.3
98.22061	4.6
99.05043	3.3
101.02443	20.5
113.02448	10.2
114.34107	3.8
115.30835	3.7
121.06661	6.0
123.04547	14.8
124.04879	8.3
131.66455	3.7
135.04527	11.9
141.05606	22.1
150.44249	3.6
154.01009	5.2
167.07133	27.0
168.07545	7.9
169.03343	4.1
179.03534	14.7
179.05746	5.1
182.78802	3.6
185.08208	86.1
187.09750	8.0
191.01935	4.0
328.48035	3.8
331.13925	10.3
347.13513	28.5
349.15018	28.6
390.17929	23.3
390.61996	4.9
391.11414	4.2
391.16068	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18099	32.8
55.63061	28.9
59.01377	62.2
59.63390	31.7
62.35546	29.4
70.75675	59.0
106.24375	28.4
127.04050	50.4
132.51854	31.5
138.52797	28.7
149.06104	38.9
167.07124	100.0
398.69833	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	390.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.9
59.01385	77.1
69.59187	26.5
71.01399	19.6
85.02955	100.0
86.03299	33.0
89.02428	18.1
103.31419	6.6
127.04012	11.7
129.01926	9.5
147.02968	16.2
148.03334	12.3
167.07135	13.2
179.05638	6.6
185.58769	7.1
189.62871	7.4
191.01970	14.6
192.02328	10.7
217.36137	8.9
302.01190	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	390.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	77.2
61.98833	100.0
69.84606	5.1
71.01395	59.2
71.40343	5.7
73.02982	6.1
78.25105	6.9
85.02971	19.6
86.79125	5.2
96.96014	64.0
97.02974	7.9
105.03484	7.1
115.00382	13.1
133.02980	21.1
134.03738	36.6
159.67842	5.4
162.03232	9.9
177.01929	10.7
178.02599	8.7
195.17886	5.5
200.21370	5.9
231.10332	31.2
240.35234	6.1
275.09305	79.7
330.17905	6.0
331.15390	6.0
348.18829	16.7
390.19626	11.8
391.17816	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	390.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35520	0.7
58.02981	13.7
59.01371	3.5
59.33671	0.6
71.01440	0.8
71.41434	0.7
72.55610	0.7
82.01692	0.9
83.02505	2.0
85.02930	0.7
91.05526	2.8
97.01701	0.7
103.34560	0.7
116.05063	8.8
118.06633	1.5
125.03550	1.6
128.05098	6.4
129.05887	1.0
130.06633	30.2
131.05032	1.8
131.06979	1.5
132.04494	0.8
140.05115	1.0
142.06647	0.8
142.89011	0.9
143.05125	0.8
143.06100	3.2
144.04549	1.4
146.06114	1.6
154.93269	0.6
155.06172	4.5
156.06937	31.5
157.07719	54.5
158.06137	2.5
158.08038	2.7
167.06158	2.3
169.05354	2.5
169.07722	4.2
169.09016	0.8
170.06134	1.0
173.07295	1.5
182.06056	3.3
183.05609	9.1
188.07156	5.1
191.06212	1.3
194.07401	1.6
195.05640	1.7
196.06439	4.3
199.08804	1.0
201.06737	5.1
209.07172	3.0
212.08257	6.1
217.09697	0.9
218.09749	6.5
232.11349	2.3
242.09807	2.5
243.09984	0.8
244.11392	1.9
245.10939	0.9
260.10873	7.5
269.10886	2.6
286.13406	4.2
287.11911	100.0
288.12164	9.5
304.14560	24.0
305.14984	2.1
330.12491	2.2
346.15604	71.6
347.15915	10.5
390.14584	3.1
391.14032	0.8
414.17191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	11.0
59.01392	42.6
65.70251	6.0
70.84571	8.0
71.01398	16.6
73.02950	7.7
85.02967	31.5
86.03324	8.3
101.02457	13.1
119.03619	6.5
119.05037	9.4
135.04463	12.2
143.04680	23.8
161.02463	11.1
179.03535	21.9
185.11826	100.0
186.12169	12.4
348.17545	11.0
390.18396	21.8
391.19208	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82774	19.5
70.21915	31.9
70.22262	30.5
203.63800	19.9
204.08316	17.6
300.13574	19.6
329.17676	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	390.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65676	35.9
58.42915	33.8
59.01392	41.5
69.44070	100.0
69.44482	99.5
98.22615	79.6
103.57663	43.4
113.38274	36.8
275.93359	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38362	33.7
51.16832	37.2
61.98817	42.8
74.41435	35.2
91.70267	36.1
98.55552	40.7
156.31856	36.3
163.11304	42.9
329.17685	100.0
367.07663	38.1
406.47064	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98836	78.2
71.39229	6.6
85.02985	5.9
86.03256	5.6
99.00893	7.6
119.32915	5.8
120.39358	5.3
135.08183	6.5
138.19768	5.1
147.55009	5.2
226.96428	5.4
247.08035	5.6
250.15393	8.4
300.13327	8.3
318.14117	13.3
319.15283	6.5
329.17648	15.1
330.17831	13.5
348.18909	34.4
349.19598	9.5
391.21320	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.1
61.98837	100.0
64.62421	5.2
69.94916	12.4
71.01392	17.1
84.94482	5.2
85.02945	11.4
93.59009	4.7
96.96009	24.9
112.54430	5.3
134.03746	18.7
162.03209	13.6
275.09198	31.9
343.79333	6.0
345.30484	6.6
348.18875	11.5
391.17258	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	391.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
57.87051	0.7
59.01385	13.6
71.01389	21.9
72.99316	5.0
73.02951	2.1
83.01393	1.4
85.02959	7.8
87.00882	2.6
89.02448	3.7
93.03468	0.9
101.02461	2.6
109.02969	0.8
113.02451	1.3
115.00385	48.8
116.00713	1.4
129.01981	1.4
133.01445	100.0
134.01781	2.3
134.03754	0.8
135.04495	2.3
137.02481	0.9
147.03096	0.7
159.04517	1.4
161.02460	2.1
172.05290	4.0
173.06033	1.7
185.11832	1.1
187.04115	1.0
187.07658	24.9
187.13390	5.7
188.08061	1.9
191.02005	1.7
201.05585	2.4
202.06355	7.6
203.10887	0.9
213.09267	5.7
215.07155	2.0
229.14304	1.7
231.10266	21.3
232.10622	1.7
257.08176	3.0
275.09265	17.0
276.09546	1.2
331.17599	2.6
349.18713	7.7
350.18866	1.0
391.19748	14.0
391.27036	6.3
392.20184	1.2
395.10556	0.9
404.65778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01385	34.1
59.89719	1.6
61.31764	1.5
69.03452	1.4
71.01385	15.0
72.99316	9.3
73.02937	4.4
75.00889	2.4
78.21304	1.3
83.01395	4.4
84.80066	1.6
85.02954	44.3
86.00099	1.7
86.03286	4.0
87.00871	6.5
87.03362	2.1
89.02440	7.3
95.01400	2.6
95.55215	1.6
101.02424	6.9
105.01918	3.9
107.05034	6.1
111.00823	2.1
113.02464	13.2
123.04553	2.1
127.00397	2.5
129.01929	4.3
131.03473	9.4
133.02985	19.0
134.03709	7.0
135.04535	100.0
136.04858	5.8
147.02977	4.0
149.04591	2.6
150.03250	6.8
160.02289	1.7
161.02455	35.0
162.02846	2.1
178.02670	1.8
179.03522	72.9
180.03897	5.6
191.01942	10.8
310.08853	2.6
311.09552	22.9
311.59677	6.0
376.10828	2.0
377.11664	70.6
377.61829	28.3
378.12000	7.5
391.19556	4.8
392.12216	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
69.18591	6.9
74.20610	1.6
82.90876	1.3
97.06591	1.8
107.05035	29.6
108.05447	1.6
131.05031	5.8
147.04500	10.3
149.06088	100.0
150.06427	5.4
157.50975	1.4
166.58774	1.7
173.06067	19.3
195.70567	1.5
209.71329	1.4
227.10747	2.6
236.08421	1.8
237.09251	2.7
241.08743	3.0
243.10098	1.5
253.08650	1.9
257.08142	4.5
261.09241	5.9
262.09683	1.8
263.10803	5.0
265.08740	8.0
270.43829	1.5
277.08600	1.6
278.09381	2.9
279.07434	2.9
279.10260	35.8
280.10657	4.4
281.11829	18.9
282.12067	1.9
285.97562	1.6
293.08221	3.8
329.11707	1.6
336.09949	1.8
345.14984	8.6
346.15277	1.9
347.16312	3.1
361.27451	1.6
373.14554	7.7
391.15720	25.5
392.15869	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	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03437	1.6
59.01384	100.0
69.42362	5.1
71.01391	19.5
73.02954	5.8
83.01392	2.0
83.05035	5.2
85.02957	17.4
89.02426	1.6
95.01434	1.2
99.00902	3.1
101.02451	9.4
105.90988	1.6
107.05050	7.5
109.06620	1.3
112.20902	1.1
113.02470	10.7
116.83572	1.2
125.06103	14.0
129.01903	1.6
133.02972	2.2
143.03604	1.6
151.07637	10.7
159.03065	2.2
161.04572	42.6
162.04965	2.0
170.52409	1.5
191.02019	2.8
196.12643	1.3
224.59532	1.1
257.42352	1.5
330.42920	1.3
331.14105	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03447	0.7
59.01384	100.0
60.01719	1.1
69.67567	0.7
69.67923	1.1
70.27750	0.4
71.01390	6.3
73.02953	2.2
80.62982	0.4
81.03468	0.4
83.01396	1.2
83.05022	2.3
85.02948	6.8
85.03394	0.4
89.02468	1.1
99.00893	0.8
101.02445	5.0
107.05029	3.3
113.02474	3.2
119.29704	0.5
125.06090	6.1
129.01930	0.4
143.03546	0.6
145.03825	0.4
151.07654	3.8
159.03024	1.3
161.04570	13.8
162.04973	0.5
169.08713	1.0
191.02072	0.6
193.05141	0.6
230.28279	0.5
257.20996	0.5
331.14139	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	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66367	0.5
55.01883	3.9
57.03453	16.2
59.01390	8.5
59.26204	0.5
60.19892	0.5
62.85446	0.5
65.12760	0.4
67.01900	0.8
68.99809	0.7
69.05570	1.1
69.05972	3.0
71.01016	0.7
71.01386	7.6
72.99314	1.4
73.02959	1.4
75.00880	2.1
83.01399	8.0
84.02173	1.7
85.02959	100.0
86.03290	1.7
87.00879	1.1
88.01662	0.5
89.02455	1.3
89.83502	0.4
98.22610	1.2
99.00920	1.2
101.02458	4.1
111.00895	21.2
112.01266	0.5
113.02451	0.6
115.00381	1.8
119.05053	0.6
129.01956	26.9
130.02292	0.7
133.01437	2.6
133.02980	4.3
134.79973	0.4
135.04517	1.4
139.11290	0.7
143.03523	0.7
161.02483	10.6
161.04520	3.6
173.00780	0.6
176.26326	0.4
179.03529	1.3
181.52362	0.5
185.11838	9.0
186.12267	0.6
187.02490	1.7
205.03545	24.5
206.03893	0.8
207.52292	0.5
211.13336	0.6
229.14502	1.6
253.14513	1.7
275.09195	1.0
326.94229	0.5
357.14572	0.6
391.15906	2.3
391.20160	9.2
392.11240	7.3
392.20123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36860	3.5
57.04632	3.3
58.85723	3.0
59.01385	58.7
69.32562	12.0
69.32975	6.2
70.96987	3.2
71.01392	9.4
76.76043	3.1
83.05008	3.8
85.02954	3.7
95.09449	3.2
96.96034	28.1
98.21845	5.5
107.03817	4.6
108.04547	12.5
113.02448	4.2
120.04589	6.6
121.18356	4.4
122.02532	3.5
131.99002	3.4
135.03267	18.1
135.04474	6.4
136.04054	11.8
137.89653	3.5
144.55083	3.2
146.73454	3.2
150.03276	4.0
157.85135	3.2
160.07697	4.9
162.05595	3.1
174.82108	3.6
175.10086	5.0
176.07036	3.1
176.10818	30.7
177.11208	3.6
179.03491	7.2
186.09181	6.0
188.10793	9.0
190.08653	3.7
202.12381	15.5
203.09523	14.2
204.10307	24.1
218.15520	4.6
223.13422	5.5
228.13899	5.5
229.14716	52.5
230.11874	17.4
230.15114	6.5
244.13419	14.5
246.14906	5.7
247.15790	100.0
248.16122	6.2
272.16559	8.9
288.16135	17.9
289.15665	13.0
315.17075	15.3
329.18497	5.5
391.18542	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	391.1907
Annotation	Abyssinone IV
Peak:m/z	Relative Intensity
54.49954	0.8
57.03438	3.6
58.02980	16.2
59.01387	29.0
69.18732	2.5
69.19142	2.8
71.01389	11.5
72.99297	1.5
73.02941	3.5
74.02478	1.9
75.00891	0.9
80.74557	0.9
83.01392	3.2
85.02958	19.8
89.02452	2.9
92.94709	1.0
97.04055	1.4
99.05653	22.3
101.02441	3.9
107.51799	0.9
111.00890	2.7
113.02440	2.1
113.03533	1.0
115.00391	2.4
116.01789	1.7
119.03535	1.2
119.05045	8.6
120.05372	3.1
129.01973	4.2
131.03539	1.4
133.01433	3.6
133.02962	1.2
133.04430	3.7
134.03339	1.0
135.04547	11.0
136.04871	4.2
140.98969	0.9
143.04631	95.8
144.04982	2.2
147.02986	1.7
150.14674	0.9
161.02454	7.9
161.04556	1.4
162.02824	1.9
171.10295	1.3
179.03520	11.8
180.03836	5.4
183.13911	3.8
185.11830	2.9
187.07629	1.5
187.13412	4.3
191.01956	2.1
195.13954	2.1
205.03535	1.7
211.13464	2.7
213.14984	17.9
215.07094	1.4
229.14500	3.6
231.10167	1.0
247.13719	23.3
248.13947	2.6
275.09296	1.6
324.60559	2.0
331.17776	2.2
349.18719	6.6
354.73792	1.0
373.26266	1.3
390.62466	1.7
391.19217	100.0
391.27383	2.6
392.19595	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03457	2.1
59.01383	100.0
60.01715	1.3
60.40707	0.6
61.01810	0.6
65.74544	0.5
69.03452	0.7
69.34309	2.2
71.01387	20.1
72.99319	0.8
73.02951	13.6
75.00909	0.7
81.07108	0.7
83.01385	2.9
85.02956	12.4
86.03307	1.1
87.00887	0.9
87.04539	2.1
89.02452	10.6
89.03018	0.6
95.01399	1.6
97.02949	0.6
99.00905	1.3
101.02455	13.0
101.06107	0.6
113.02457	12.4
119.03484	4.2
125.02472	0.7
129.01901	0.6
143.03543	1.3
145.35007	0.5
147.02910	0.7
159.03040	0.7
160.01700	1.2
161.04561	6.9
164.07170	0.6
173.73615	0.5
175.04034	2.5
179.05710	0.7
183.68077	0.5
185.11949	0.7
187.13414	10.3
187.15012	0.8
191.02031	1.2
265.73862	0.6
284.78607	0.5
331.17627	5.4
342.77655	0.7
349.18701	15.3
349.22809	1.0
350.19016	1.0
350.89410	0.6
355.10715	0.7
391.20166	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31189	1.0
55.01885	2.5
57.03442	2.3
59.01384	37.7
64.45683	1.0
66.90886	1.1
71.01392	22.6
71.40604	1.6
71.60419	1.4
72.63939	1.1
72.99323	1.3
73.02944	5.0
73.71490	1.2
77.11762	1.1
83.01388	3.3
85.02956	12.4
85.46714	1.1
87.00871	2.8
95.01394	1.7
96.96010	1.4
99.00863	1.8
101.02454	9.6
101.03077	1.3
101.82463	1.0
113.02456	3.4
113.63262	1.1
124.01694	1.3
125.02428	1.5
133.02960	1.9
134.03683	1.3
135.04520	1.3
140.61017	1.1
141.12886	7.6
161.02467	4.0
163.37619	1.3
169.12383	2.7
187.13405	54.2
188.13820	3.3
229.14459	1.8
231.10271	1.7
256.28180	1.3
266.81750	1.3
275.09393	2.9
323.07791	2.0
331.17633	31.9
332.17920	3.3
349.05081	1.4
349.18686	72.0
350.19043	8.3
391.19772	100.0
392.19977	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	391.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73967	0.8
59.01385	100.0
60.01717	1.7
69.03461	4.2
69.56832	3.8
71.04993	1.3
72.02177	2.1
80.02693	0.9
83.05100	1.0
87.04523	3.2
95.05038	2.1
97.02963	11.6
97.06581	1.4
98.21926	1.9
111.08172	9.3
123.04555	1.0
125.09711	1.8
137.09746	7.3
141.09235	7.9
163.11298	1.5
165.12866	2.8
171.10320	5.8
181.12387	0.9
193.08461	6.0
207.10068	2.6
209.11891	1.5
210.00137	1.1
220.27388	0.9
227.12869	0.9
247.20668	2.2
281.53928	0.8
287.16446	1.1
289.18301	1.3
291.19687	19.9
292.19913	1.9
309.20737	25.4
310.21045	2.9
313.17883	3.6
331.18973	5.1
339.98996	1.0
349.19992	1.0
373.20267	5.7
377.59012	0.9
391.21036	11.1
392.21478	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	391.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.8
66.25636	1.1
67.01907	2.2
70.84266	2.3
71.05025	28.9
74.41446	1.1
81.03480	1.3
95.05058	5.6
97.02953	1.3
97.06617	3.1
111.08163	2.2
115.96726	1.1
122.03704	1.4
123.04536	1.3
123.08154	1.4
139.04001	4.5
141.09241	3.6
151.07596	2.4
151.11322	1.3
157.36716	1.3
165.09230	3.1
177.09296	1.8
179.10799	2.7
183.10287	2.0
193.08434	1.9
195.10191	1.3
197.11809	1.9
205.08714	1.8
219.10068	2.1
220.11127	6.7
222.08922	1.2
232.84435	1.3
243.10226	1.5
245.11858	2.5
249.14980	1.7
271.09882	2.8
271.13223	1.8
273.14966	6.0
275.12854	1.1
275.38013	1.1
277.14398	1.6
286.12097	16.8
287.12460	1.7
292.16745	6.6
301.14468	21.9
302.14920	3.4
304.13116	6.9
309.20660	4.1
313.17865	1.5
319.15521	100.0
320.15915	9.4
331.19077	3.3
391.21249	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	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01727	1.2
69.73322	4.6
84.63943	1.2
85.06588	3.9
122.01811	1.4
151.07562	1.1
191.07175	1.2
197.11838	2.8
228.51743	1.2
304.84293	1.4
313.17862	1.4
330.17471	1.9
331.19135	12.4
332.19272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.8
66.25636	1.1
67.01907	2.2
70.84266	2.3
71.05025	28.9
74.41446	1.1
81.03480	1.3
95.05058	5.6
97.02953	1.3
97.06617	3.1
111.08163	2.2
115.96726	1.1
122.03704	1.4
123.04536	1.3
123.08154	1.4
139.04001	4.5
141.09241	3.6
151.07596	2.4
151.11322	1.3
157.36716	1.3
165.09230	3.1
177.09296	1.8
179.10799	2.7
183.10287	2.0
193.08434	1.9
195.10191	1.3
197.11809	1.9
205.08714	1.8
219.10068	2.1
220.11127	6.7
222.08922	1.2
232.84435	1.3
243.10226	1.5
245.11858	2.5
249.14980	1.7
271.09882	2.8
271.13223	1.8
273.14966	6.0
275.12854	1.1
275.38013	1.1
277.14398	1.6
286.12097	16.8
287.12460	1.7
292.16745	6.6
301.14468	21.9
302.14920	3.4
304.13116	6.9
309.20660	4.1
313.17865	1.5
319.15521	100.0
320.15915	9.4
331.19077	3.3
391.21249	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	392.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05120	6.1
57.03429	7.8
57.97571	5.9
59.01388	100.0
61.98810	6.3
63.35773	6.0
64.23389	5.8
69.72191	7.9
69.72527	24.5
71.01409	33.7
71.14097	7.1
73.02959	7.2
81.03494	6.5
85.02982	30.6
89.02454	10.7
96.96027	29.4
97.02926	8.7
100.64082	6.3
101.02445	19.2
113.02459	12.6
127.71016	7.0
133.02966	10.5
135.04527	26.4
136.61818	6.9
150.03249	13.7
161.02472	26.1
161.04637	8.0
179.03575	30.9
183.48018	7.1
219.71315	7.0
277.10791	12.0
304.00403	9.3
307.17609	26.4
392.12921	14.0
393.05795	10.3
393.15189	10.4
393.19562	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	392.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05120	6.1
57.03429	7.8
57.97571	5.9
59.01388	100.0
61.98810	6.3
63.35773	6.0
64.23389	5.8
69.72191	7.9
69.72527	24.5
71.01409	33.7
71.14097	7.1
73.02959	7.2
81.03494	6.5
85.02982	30.6
89.02454	10.7
96.96027	29.4
97.02926	8.7
100.64082	6.3
101.02445	19.2
113.02459	12.6
127.71016	7.0
133.02966	10.5
135.04527	26.4
136.61818	6.9
150.03249	13.7
161.02472	26.1
161.04637	8.0
179.03575	30.9
183.48018	7.1
219.71315	7.0
277.10791	12.0
304.00403	9.3
307.17609	26.4
392.12921	14.0
393.05795	10.3
393.15189	10.4
393.19562	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	392.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07220	2.9
53.56030	2.7
56.28525	2.9
57.53551	2.8
59.01087	5.3
59.01384	100.0
60.01714	7.4
61.01805	3.6
61.44725	2.8
61.98794	3.7
70.96354	4.2
71.01384	18.0
71.05022	3.6
73.02967	3.2
89.81759	3.2
95.05030	5.8
96.96012	24.7
97.06557	4.9
111.08128	2.9
120.51962	3.5
125.06064	3.9
126.38576	3.4
151.07567	3.1
156.00772	2.7
231.13895	10.0
249.14926	20.4
250.15303	6.8
261.47864	3.4
291.16034	13.9
292.16617	3.7
298.11273	2.9
301.14206	3.0
303.15726	3.5
304.16415	3.3
320.15677	12.7
332.15829	6.2
334.01810	3.5
349.03604	3.3
349.20123	5.1
350.20404	5.4
392.17578	5.9
392.22043	4.3
393.14978	14.1
393.19537	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	392.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86319	5.7
57.03426	6.2
58.23908	5.0
59.01125	9.0
59.01385	100.0
60.01723	5.4
77.33432	5.8
77.42744	5.6
79.95748	6.4
96.96025	68.8
99.68176	5.8
102.43812	6.2
106.56133	5.4
114.69512	6.1
157.62440	6.1
231.83864	6.5
250.56711	5.8
320.15659	9.0
350.19922	7.1
392.18222	23.8
393.18546	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	392.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40478	38.3
59.01390	86.4
61.98829	100.0
96.95971	48.3
96.96571	45.8
119.98675	38.9
203.30559	38.3
276.63516	43.3
313.07022	52.4
361.62476	43.7
393.17120	56.5
411.87723	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
64.26850	0.3
65.99078	0.3
67.97854	0.3
69.33561	1.7
73.02970	0.7
79.95739	6.9
80.96523	4.7
81.03488	0.4
85.02958	1.9
87.04517	0.4
87.56544	0.3
96.96017	100.0
97.95934	0.6
101.02433	0.7
106.66679	0.3
108.02197	0.8
111.47770	0.3
121.63318	0.4
122.97608	0.4
127.04027	1.3
136.99155	6.4
138.97075	6.8
150.97197	0.3
152.01147	1.5
159.68372	0.3
164.98648	2.5
167.00235	0.5
167.03496	1.7
206.99733	0.5
225.00749	46.6
226.01013	1.7
308.40326	0.3
393.04990	17.4
394.05276	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	393.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21594	0.4
57.56434	0.3
59.01385	1.0
59.91171	0.4
71.01379	0.4
73.02944	0.6
79.95742	6.3
80.96523	4.8
85.02949	2.5
96.96018	100.0
97.95939	0.5
108.02161	0.8
127.04009	1.4
135.04544	0.5
136.99153	6.4
138.97098	7.2
150.97101	0.5
152.01190	1.8
164.98639	3.2
167.00227	0.4
167.03494	2.0
206.99590	0.5
225.00758	57.3
226.01036	1.9
238.54311	0.5
263.28598	0.4
267.67108	0.4
393.04971	26.9
394.05338	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	393.1328
Annotation	Durallone
Peak:m/z	Relative Intensity
59.01375	100.0
68.74300	8.4
71.01390	17.3
85.02950	29.7
89.02443	12.5
96.96014	40.4
106.87908	8.8
113.02477	8.8
115.15467	10.0
125.02428	11.2
133.02956	17.9
135.04527	82.3
136.04872	11.0
150.03259	16.4
161.02444	26.4
163.68039	8.5
165.05717	9.9
167.01701	11.0
171.10262	16.7
179.03452	46.4
180.03917	13.7
225.00665	11.7
311.09555	22.1
311.59766	74.4
312.09824	32.2
333.14740	10.3
392.62473	14.7
393.13293	93.1
394.13419	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	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38000	0.4
55.01882	2.4
57.03450	12.3
58.79993	0.5
59.01384	11.5
60.01670	0.5
61.01774	0.6
67.16496	0.4
68.99809	0.7
69.11773	3.3
71.01384	5.9
72.99316	1.5
73.02945	1.8
75.00890	2.8
83.01395	3.4
84.02179	1.2
85.02959	100.0
86.03298	2.4
87.00886	1.6
89.02460	1.6
90.26609	0.4
95.18137	0.4
97.06570	0.5
99.00894	3.5
101.02448	1.9
103.00362	2.1
111.00904	3.8
113.02464	1.4
115.00370	1.4
129.01958	11.4
131.03529	0.9
133.02931	0.5
134.03732	0.5
135.04544	0.7
139.11313	4.4
141.05559	0.5
147.03015	11.3
161.02466	1.1
171.10251	0.6
173.00938	2.5
180.04018	0.5
191.01987	35.1
192.02356	1.3
201.11348	3.2
209.02977	0.8
261.13403	1.9
271.02628	0.8
280.54266	0.4
299.01974	0.9
311.55301	1.6
312.05585	1.8
358.14709	0.5
375.12967	1.1
392.62512	1.0
393.13956	6.5
394.14609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92713	0.5
53.53857	0.5
55.01876	2.0
55.91063	0.5
57.03450	11.0
59.01385	18.6
59.28967	0.6
60.92524	0.5
62.41956	0.6
70.72399	1.1
71.01398	4.2
72.99313	1.4
73.02921	1.2
75.00873	2.2
83.01379	2.5
84.02159	1.2
85.02957	100.0
85.31665	0.5
86.03291	2.2
87.00878	0.7
89.02460	1.2
96.96024	4.1
101.02455	2.2
103.00390	1.9
107.39783	0.6
111.00886	4.6
115.00413	0.7
116.92867	1.1
121.04249	0.5
129.01955	8.7
147.01826	1.0
147.02995	16.5
158.73143	0.5
161.04573	1.8
173.00882	2.3
183.10245	1.7
191.01990	30.0
192.02367	0.8
201.11365	2.5
225.00879	1.4
303.06241	2.1
333.15628	1.0
393.04785	1.4
393.13901	4.2
393.18216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
56.48031	0.6
57.03176	0.8
57.03451	12.0
59.01384	29.5
60.01711	0.7
60.20742	0.6
63.09158	0.6
67.43355	0.6
69.44550	2.8
71.01379	4.6
72.99303	1.3
73.02944	1.1
75.00875	2.7
80.79473	0.5
83.01384	2.0
84.02167	1.6
85.02953	100.0
86.03283	2.6
89.02422	1.0
96.96010	1.8
101.02457	2.6
103.00401	1.5
111.00877	4.3
115.00347	0.8
116.92887	0.9
127.54714	0.6
129.01936	9.0
133.01468	0.7
147.01826	1.1
147.03003	19.3
161.04556	2.7
171.77698	0.6
173.00908	2.8
183.10240	0.8
191.01988	30.8
192.02390	0.7
201.11336	2.5
225.00809	0.8
229.11813	0.7
245.85817	0.6
303.06259	1.5
326.54984	0.7
333.15558	2.1
334.15637	0.7
373.12708	0.6
375.13220	1.1
393.14136	5.4
393.18442	0.9
394.14325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35680	0.6
62.93765	0.6
66.57620	0.6
70.76632	1.0
72.89452	0.6
84.93869	6.8
90.42470	0.6
99.92597	57.6
100.92624	2.9
100.93363	16.1
115.92095	19.9
115.92928	1.0
116.92872	98.6
117.92911	6.3
122.02637	0.6
122.92873	0.6
277.73187	0.7
349.18488	3.1
350.18341	0.7
363.16425	1.9
375.16068	1.0
381.17447	1.8
389.14084	1.2
393.17419	100.0
394.17627	15.8
407.15451	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25758	0.9
59.01384	69.6
60.21008	0.8
62.17005	0.9
68.01949	0.8
69.39406	3.7
71.01383	3.9
72.02249	0.9
74.18192	0.9
85.02925	1.1
89.02443	2.7
96.95999	1.0
101.02450	2.1
109.06563	1.0
111.08179	6.0
113.02471	5.9
119.03486	1.5
125.09708	4.9
128.03543	1.1
128.54356	1.0
135.04486	1.7
161.04541	1.7
171.10283	100.0
172.10611	5.5
179.03540	2.2
185.11845	2.1
213.11334	2.6
225.00797	1.1
229.66809	1.0
301.12820	1.0
379.20148	0.9
415.81329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01385	100.0
60.01716	1.1
71.01386	3.8
72.99325	1.9
73.02960	1.2
74.99120	0.5
83.01394	0.7
85.02956	10.5
86.00132	0.5
87.00887	1.2
89.02460	1.4
93.03469	1.0
96.96038	1.2
99.04544	0.5
100.23319	0.4
101.02468	1.6
111.00912	0.5
113.02483	2.0
121.02986	0.8
127.07669	2.0
129.02005	0.7
131.03545	0.6
133.06593	0.6
135.04541	3.9
136.04884	1.1
144.77200	0.4
149.04726	0.5
150.03279	2.4
151.03757	0.8
157.06670	0.5
161.02495	1.6
161.04825	0.7
161.06059	3.0
162.02821	0.7
167.01765	0.7
171.06696	1.3
173.06079	0.7
179.03497	4.5
180.03897	1.3
187.09755	0.5
189.05666	1.6
191.01962	2.8
191.05746	0.6
200.04701	0.4
201.05461	0.5
213.09245	0.7
215.07059	2.1
216.91170	0.5
225.00711	0.6
233.04575	0.4
257.08310	0.7
273.13455	1.1
274.97806	0.5
287.05457	0.7
291.14603	1.8
310.58859	0.7
333.15787	0.6
358.04355	0.5
376.61200	1.0
377.11142	1.5
385.11166	1.1
392.62402	1.2
393.08350	7.1
393.14093	0.8
393.20306	0.5
394.08652	0.7
394.94162	0.5
403.83368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1924
Annotation	Rabdoternin G
Peak:m/z	Relative Intensity
59.01397	13.3
62.06550	2.5
62.44707	2.7
69.03466	3.0
71.01381	6.0
81.03454	8.5
81.29900	2.6
83.01393	11.6
85.02945	5.2
85.87991	2.7
93.87160	2.6
96.96011	4.7
97.06557	3.0
98.00108	30.9
98.21800	4.6
99.00891	9.5
102.21587	2.8
107.21871	3.0
109.02953	23.2
113.02470	16.1
123.04551	2.9
127.00408	3.2
127.04022	5.9
131.03462	3.5
136.48383	2.8
141.05606	20.4
151.07700	8.7
154.16341	2.8
178.06291	3.1
193.08669	3.2
203.10484	2.7
215.10796	3.9
219.10271	12.3
228.30560	2.7
231.13921	11.9
232.11090	6.9
233.11790	4.8
234.12619	8.5
235.13179	3.5
247.13341	7.8
249.14989	38.4
255.10321	4.7
257.11722	4.0
261.14975	16.7
269.11710	3.1
270.12595	5.9
271.13235	3.4
272.10544	4.3
277.03052	3.0
286.12097	11.9
287.12866	15.6
287.15735	2.9
299.13193	3.8
299.16534	32.0
300.16888	3.0
301.14328	10.3
303.16052	6.8
314.11557	8.8
315.12405	7.4
315.15985	20.3
316.12769	3.6
316.16397	3.9
317.17642	5.4
328.13162	3.2
331.19296	4.3
333.20471	2.8
343.15543	25.4
346.14230	21.7
361.16391	11.8
375.18158	100.0
376.18234	13.1
383.57339	2.4
393.19186	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	393.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42327	1.9
55.37700	2.1
59.01369	5.4
65.03951	2.3
69.03451	5.2
71.01376	5.9
74.51253	2.0
81.03467	12.4
83.01410	11.6
83.04994	3.0
85.02937	4.3
92.56386	1.9
95.01371	3.3
95.82621	2.2
96.96020	2.9
97.06589	4.1
97.25658	1.9
98.00101	37.5
99.00902	11.7
107.65476	2.3
109.02960	39.6
113.02481	14.5
123.04551	4.9
125.23526	1.8
134.03778	4.6
135.04568	3.6
141.05594	33.3
151.07645	4.5
165.05609	2.3
165.09196	2.4
193.08678	6.4
206.47386	2.1
207.13898	2.0
215.10764	4.4
217.08733	3.7
219.10225	17.2
227.10823	4.4
231.10283	2.8
231.13913	22.4
232.10988	7.4
233.11823	3.0
234.12637	15.3
235.13272	4.1
243.10162	2.3
246.12648	4.5
247.13417	10.3
249.14972	52.6
250.15282	6.4
254.09456	3.4
255.10260	4.8
255.13872	3.7
257.11893	5.4
257.15588	3.6
259.13391	3.1
261.14951	20.4
269.11740	4.0
270.12579	6.9
271.09756	8.2
271.13324	5.8
272.10574	6.2
284.14084	3.9
285.11316	4.0
285.14456	2.1
286.12137	15.1
287.12915	16.8
288.13422	6.2
299.09363	2.9
299.13138	3.4
299.16562	26.1
300.13614	4.9
300.16794	2.7
301.14426	9.2
302.14999	4.0
303.16306	11.3
314.11734	14.7
315.12253	9.4
315.16013	17.3
316.16556	3.3
317.17493	7.9
328.13269	3.5
331.19128	4.3
343.15521	30.5
346.14197	28.8
347.14935	3.5
361.16434	12.0
375.18173	100.0
376.18622	10.7
393.19250	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	393.1924
Annotation	Rabdoternin G
Peak:m/z	Relative Intensity
55.01874	0.8
59.01385	2.8
63.31480	0.3
65.03970	9.0
66.04308	0.5
67.01922	0.7
69.03439	0.4
70.59069	0.5
70.59402	0.4
71.01382	1.3
73.02943	0.7
74.37370	0.3
81.03462	35.5
81.79961	0.3
82.03808	1.2
83.01388	1.6
83.05034	1.2
85.02965	1.0
85.06606	0.6
93.03465	0.4
95.01409	0.7
96.96021	4.2
97.02956	0.5
97.06611	1.9
98.00103	1.6
98.03730	0.6
99.00891	5.3
99.04546	1.1
101.02454	0.5
109.02960	100.0
109.06599	1.3
110.03301	2.8
111.00891	3.8
111.04517	1.8
115.04026	0.6
121.06583	0.5
121.90635	0.3
122.03774	0.3
123.04543	1.5
123.08209	0.8
126.03230	0.4
129.38751	0.4
135.08096	0.4
137.06078	0.7
137.09749	0.5
139.07697	0.4
141.05594	92.2
142.05933	3.7
143.03488	1.2
149.09726	1.0
150.06900	1.1
151.07674	0.9
151.11316	1.2
153.05675	0.3
165.09239	3.3
167.03525	1.6
167.07185	0.4
169.22250	0.4
175.07669	0.4
178.10051	0.7
191.10716	0.4
193.08739	0.8
207.13905	2.9
217.08788	0.5
217.12444	0.4
218.09439	0.4
219.10214	0.5
221.11803	0.5
231.10381	0.5
232.10863	0.6
233.11874	0.8
234.12509	0.3
235.13414	0.4
247.13431	1.4
249.11383	0.4
249.14946	1.3
251.12849	1.6
254.09474	0.4
255.10075	0.8
257.11850	0.9
258.12463	0.3
259.13440	0.6
261.15024	0.8
269.11850	0.8
270.12506	0.6
271.09784	0.8
271.13419	0.7
272.10590	0.8
284.14175	0.8
285.11404	1.2
286.12082	1.2
287.12894	2.1
299.13058	0.7
299.16479	6.0
300.13669	0.9
300.16772	0.5
314.11664	2.2
315.12360	1.9
315.16061	5.2
316.13058	0.4
316.16351	0.7
317.17731	0.8
328.13242	1.0
331.19067	0.7
343.15503	6.7
343.19281	0.6
344.15750	0.8
346.14120	3.1
347.14670	0.8
357.17474	0.5
360.15787	0.4
361.16818	1.0
375.18158	19.7
376.18457	2.2
393.19257	10.3
393.23389	0.3
394.19620	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	393.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76413	0.3
53.00313	0.7
58.51498	0.4
59.01385	10.7
60.23187	0.3
68.99823	0.5
71.01387	100.0
72.01733	1.8
79.95753	0.7
81.03475	0.6
85.02972	0.5
96.96021	26.8
97.06601	0.4
99.00912	1.0
106.46991	0.3
109.02980	1.5
113.02492	0.8
121.97399	0.3
127.00394	0.4
134.03757	0.4
135.04610	0.4
135.08189	0.4
139.04010	0.4
141.05640	1.3
146.25548	0.4
160.06145	0.3
180.60162	0.4
215.10838	0.6
219.10362	1.1
221.11873	0.6
231.13895	1.6
234.12675	1.0
249.15007	2.3
287.16663	0.4
291.16122	0.9
305.17578	0.6
315.16077	0.9
333.17206	2.0
335.92700	0.4
375.18100	0.8
393.19427	15.2
394.19583	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34922	0.5
52.30216	0.6
59.01385	100.0
60.01725	1.1
61.75612	0.5
69.36114	2.4
78.59420	0.6
96.96030	1.0
98.22729	0.9
120.08460	0.6
141.46698	0.6
201.85034	0.5
287.75839	0.6
304.36517	0.6
326.59787	0.6
335.42068	0.7
370.64334	0.5
382.98605	0.5
393.18225	0.5
393.24149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12828	3.9
54.77485	4.0
55.38422	4.5
57.03434	5.4
59.01384	32.3
61.98836	20.1
70.68269	9.4
75.34624	4.8
78.60873	3.5
79.17622	3.8
84.09894	4.1
85.50690	3.6
86.08783	4.1
99.92616	7.9
107.40710	3.4
125.09850	3.7
127.11342	8.1
134.15646	3.6
134.53455	3.7
139.11305	40.8
171.10281	55.4
182.98174	4.3
183.02003	4.2
183.10428	4.2
185.11844	12.1
193.08470	92.6
194.08765	5.3
201.11337	4.1
244.71741	4.2
253.09431	4.4
293.21295	12.8
311.22281	100.0
312.22678	12.8
315.19446	15.1
333.20465	25.1
357.92920	4.1
393.22641	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	393.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54249	10.4
55.32458	8.7
57.50941	10.2
59.01375	100.0
61.98821	15.5
67.33652	12.3
73.35187	12.1
78.12521	9.8
80.10291	11.0
97.45338	11.1
102.27241	11.8
107.22364	10.8
123.41431	10.2
158.41898	10.6
203.38200	11.4
309.95361	10.8
357.96964	25.5
393.05566	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	393.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20682	3.8
71.01385	100.0
72.01715	1.9
73.99442	0.8
115.00384	18.8
133.01430	1.9
155.01653	0.8
168.66302	0.8
262.71970	0.8
277.21741	84.3
278.22055	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90440	58.0
70.66617	100.0
97.16483	67.2
103.22229	61.2
164.71150	61.4
225.02083	65.0
305.07748	68.7
319.25436	74.3
327.24112	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.1
69.18811	16.7
71.01384	11.8
83.05027	13.7
96.96021	100.0
98.22663	5.9
98.95595	9.4
99.00890	5.0
125.09739	6.8
127.04034	5.1
152.23412	3.6
181.21228	4.2
183.13919	5.0
203.10873	4.3
231.14024	5.8
248.14146	5.3
304.16956	4.7
331.14832	3.9
333.20700	12.6
359.15082	5.3
377.15887	4.7
394.19855	53.4
395.20718	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	394.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91290	58.2
61.84300	48.2
65.16369	46.2
71.01407	50.8
71.40351	55.0
86.95124	54.6
137.33897	43.1
145.10590	56.2
277.21609	100.0
309.17526	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97693	18.3
55.67881	24.3
62.63140	17.4
68.51552	20.4
69.43185	100.0
80.23768	18.6
86.11204	22.1
135.25366	18.0
202.31367	21.8
269.22668	22.1
343.43518	18.9
379.19305	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18178	1.1
59.01386	10.3
66.90758	1.0
70.12188	1.0
70.90723	1.4
71.01383	14.8
85.02947	4.9
86.31645	1.1
87.29400	0.9
89.02446	5.8
95.32051	1.0
101.14952	1.0
113.02453	2.1
121.02968	10.9
123.00874	2.6
137.02457	1.7
137.71069	1.1
138.03235	6.4
139.03986	1.7
153.05594	13.1
166.74112	1.0
166.99847	6.5
181.01433	2.3
182.02220	32.9
183.02791	2.9
196.03844	1.9
197.04561	100.0
198.04866	3.9
211.06119	4.8
224.03174	1.9
239.05643	15.3
252.05774	1.2
269.06680	83.3
270.07050	5.5
273.70486	1.1
329.08704	5.7
352.66650	1.2
359.09732	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65223	2.8
56.98038	5.0
59.01377	9.7
62.84528	2.7
63.00969	2.6
63.96210	5.1
69.03473	5.3
69.51952	4.9
69.52347	9.6
71.01392	10.7
72.99303	8.6
73.02940	6.5
73.98256	3.1
74.99100	100.0
77.47959	2.7
79.95749	5.1
85.02940	6.9
87.00874	9.6
96.96024	30.4
97.02953	6.1
98.03736	4.9
98.95586	11.0
100.42745	2.5
101.02441	5.4
107.04994	5.1
111.00815	2.9
113.02465	16.8
115.00385	2.9
118.98097	42.6
122.62602	3.1
133.06566	4.3
135.08136	13.5
135.98337	5.1
136.99153	46.7
140.01161	5.6
141.01939	5.5
147.02753	10.2
147.08188	3.9
161.06081	13.3
164.03018	13.0
173.05893	2.6
179.05365	24.1
179.06863	4.8
180.71890	3.0
187.11317	29.6
189.05305	3.0
189.12695	3.2
191.10709	3.0
197.02448	2.9
203.10822	11.2
205.12378	3.6
213.09212	6.3
224.92404	2.7
231.10287	6.7
233.11800	22.6
233.87015	3.2
240.76874	2.8
257.08206	5.9
271.08078	3.1
275.09314	17.0
279.15976	4.7
289.09277	3.6
394.19962	3.0
395.07254	3.7
395.11697	12.7
395.16696	7.1
395.21140	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	395.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.1
59.55663	1.6
65.40961	1.4
69.44772	5.2
71.01385	10.0
72.99288	2.3
73.02956	4.0
74.99112	12.7
81.03460	2.3
83.01385	2.4
83.05019	4.3
85.02943	4.9
93.94780	1.8
96.68182	1.6
96.96017	3.4
98.95675	1.6
99.17555	1.8
101.02454	3.8
109.02980	2.5
113.02480	4.2
118.98100	100.0
120.99656	2.8
127.00393	5.2
129.26955	1.4
129.96785	1.7
133.03024	3.5
135.04544	7.7
147.04547	12.6
161.02467	10.8
161.04637	1.9
177.05568	2.3
179.03517	8.9
195.25761	1.9
225.41907	1.7
254.04469	4.0
263.15030	2.4
279.12491	2.9
279.16022	1.9
332.10132	4.2
353.20676	2.4
362.31512	1.6
394.63074	5.2
395.12915	6.8
395.17160	6.6
396.25070	5.0
403.15057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
71.01370	1.7
71.43675	0.8
73.02946	1.0
74.71980	0.6
74.99097	8.4
77.57487	0.6
79.95737	2.0
82.01707	0.7
82.78279	0.8
85.02953	2.0
87.00887	1.5
87.11675	0.7
96.96020	100.0
97.95927	0.7
101.02454	1.4
104.50921	0.7
107.05037	0.9
113.02466	1.8
118.98098	62.3
119.98376	1.0
125.02438	1.7
135.08167	0.9
136.99159	1.1
140.01154	0.7
161.06123	1.3
166.01811	1.9
187.11276	2.0
188.59930	0.6
191.07220	1.3
191.14613	0.7
195.02687	0.8
203.10857	0.9
213.09366	1.2
215.10739	0.8
231.10178	0.7
233.08304	0.7
233.11858	2.5
239.14586	0.7
256.00696	0.8
275.09305	1.5
279.16019	1.3
315.62454	0.7
351.17957	0.7
352.26242	0.7
385.53522	0.8
395.17285	2.2
395.21149	39.6
396.21512	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	395.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89942	0.4
57.03434	0.9
59.01383	8.6
69.03440	0.6
71.01389	5.1
71.05016	1.3
71.39422	0.5
73.01159	0.5
73.02933	1.8
74.99078	1.0
81.03462	6.0
83.01366	0.6
83.05071	0.4
85.02939	1.8
87.00866	1.4
89.02448	2.1
95.01372	0.5
95.05015	2.0
97.02957	1.1
98.03744	24.7
99.04536	13.4
101.02444	1.9
107.05041	4.4
113.02460	2.1
118.98086	2.6
119.03474	0.5
120.05800	0.8
125.06046	0.6
133.06619	5.3
135.08179	10.5
144.88155	0.4
145.06581	0.6
147.04466	0.6
147.08081	0.4
161.02448	0.6
161.06111	4.0
163.07657	0.7
181.78920	0.5
187.11316	1.4
189.12852	10.1
190.13216	0.5
193.04303	0.4
197.09784	0.5
215.10802	3.4
231.10439	0.5
233.11835	100.0
234.12180	7.8
235.13538	0.5
265.08960	0.5
265.38519	0.4
279.12701	0.5
279.16064	1.7
293.42093	0.4
395.17114	14.3
396.17398	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	395.1713
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
52.33149	0.3
55.01885	0.5
59.01385	7.5
63.85519	0.3
64.86458	0.4
71.01386	4.6
71.05022	1.0
73.01186	1.1
73.02949	1.1
74.99100	0.6
81.03458	5.8
83.01415	0.4
83.05035	0.4
83.82320	0.4
84.02163	0.6
85.02955	1.2
87.00883	1.5
89.02447	2.3
95.01407	0.4
95.05035	1.7
97.02956	0.6
98.03748	22.7
99.03944	0.6
99.04538	11.7
101.02444	1.9
107.05046	2.4
113.02476	1.7
115.00392	0.5
118.66253	0.4
118.98071	2.6
119.03510	0.5
120.05846	0.7
133.06602	4.4
135.08171	9.6
136.08614	0.5
143.03505	0.4
145.26271	0.4
147.04546	0.9
151.07669	0.6
157.15016	0.4
161.02524	0.6
161.06097	3.9
163.07701	0.4
187.11272	1.2
189.12886	10.2
190.13223	0.7
191.07019	0.6
205.12462	0.6
207.25980	0.4
215.10835	2.6
233.11847	100.0
234.12166	7.7
235.13292	0.7
265.09134	0.5
279.16104	1.4
323.87177	0.4
378.43967	0.4
395.08688	0.8
395.17081	18.6
396.17709	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	395.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	8.3
55.06805	8.9
58.39614	7.1
59.01376	33.3
69.03432	10.6
69.17667	33.8
69.18067	13.9
71.01384	18.2
73.02946	9.0
78.95918	11.9
81.03470	8.2
83.05042	49.0
85.02969	15.8
111.04531	100.0
127.04007	19.2
133.01413	9.3
135.04567	19.8
161.02457	25.1
163.10869	9.1
179.03503	11.3
199.13380	16.6
222.60069	9.2
247.13455	18.3
261.14966	23.6
271.13470	9.3
315.15970	18.0
345.17148	12.3
359.15173	11.6
363.17462	8.9
377.16473	11.9
395.16977	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	395.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31163	1.5
52.81402	1.1
54.65481	1.1
58.04490	1.3
59.01385	100.0
69.55473	5.9
83.62373	1.3
103.37469	1.2
126.46570	1.2
162.03012	1.3
171.16872	1.5
196.56474	1.4
217.12326	1.9
220.11072	3.4
227.81577	1.3
228.33217	1.4
234.55470	1.3
235.13461	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	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69312	2.4
53.59258	1.8
59.01383	100.0
69.52494	3.4
69.52885	4.5
71.01402	3.5
71.05050	2.2
79.95757	2.0
180.99843	1.8
219.13802	2.0
255.17798	2.2
269.19180	12.9
281.19165	2.4
299.20160	23.2
317.21207	21.0
359.15121	3.2
359.77335	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	395.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52433	0.8
59.01388	1.1
70.78106	1.3
71.01387	100.0
72.01738	1.1
94.26119	0.8
98.22558	0.9
115.00378	18.9
123.38497	0.9
133.01442	1.0
201.01990	1.0
213.27693	0.8
261.64102	0.8
279.23309	96.1
280.23679	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	395.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51484	0.5
59.01384	100.0
60.01707	1.1
68.06675	0.5
70.34077	1.1
71.01403	0.6
72.19898	0.5
72.41340	0.5
80.97607	0.6
83.05025	4.0
85.02956	0.5
92.75018	0.4
99.00904	1.1
106.68970	0.5
123.24220	0.5
127.04069	1.4
132.04192	0.4
149.76900	0.5
163.15071	0.5
199.13464	1.0
202.67351	0.6
232.10988	0.5
242.57149	0.5
249.11458	1.1
267.12384	0.6
268.14453	0.6
300.13950	0.5
315.16171	1.8
359.15237	1.6
364.78143	0.6
377.16025	2.4
395.12613	0.6
395.17282	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	395.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57862	3.6
59.01085	5.5
59.01384	100.0
64.66201	3.0
71.01389	37.4
72.01741	3.6
72.37311	3.4
74.71105	2.7
81.33420	3.1
83.05029	23.7
85.02964	5.8
92.15247	2.7
96.96023	20.5
98.21850	8.9
98.95621	19.8
99.00885	5.5
112.12653	3.2
125.02470	5.9
127.04023	7.7
131.28831	3.8
231.10138	3.1
249.11433	6.7
271.13315	3.8
286.30643	3.2
315.16113	12.2
335.18808	5.7
359.14984	9.4
363.18069	3.3
377.15991	8.5
395.16531	7.2
395.20639	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	395.2592
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03179	1.9
57.03450	32.2
66.62978	0.8
69.98588	2.7
82.93677	0.8
88.84037	1.0
107.00068	0.8
163.11296	100.0
164.11612	6.6
183.81612	0.9
219.13905	33.8
219.83986	0.8
220.14278	2.4
277.21747	3.4
309.55051	1.0
337.21765	3.4
395.25919	89.6
396.26263	16.6
419.89627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93135	1.2
65.75607	1.2
96.96045	11.6
99.92596	50.4
100.17672	1.2
100.92619	2.6
100.93355	2.2
115.37971	1.3
115.92100	7.5
116.92865	6.3
118.89994	100.0
119.89977	6.0
119.90800	3.9
130.96838	1.2
134.89493	3.8
135.90279	12.5
183.55673	1.2
275.91388	1.3
280.23532	1.4
329.75226	1.4
360.13895	13.5
361.14188	2.2
396.11652	47.2
397.12009	7.2
397.22641	12.0
419.76782	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	396.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.8
59.33958	1.6
61.27636	1.5
61.98835	100.0
65.84856	1.6
69.52478	5.6
69.52814	2.0
71.01373	1.7
74.99086	4.2
85.02964	1.6
118.98117	3.3
131.84126	1.7
135.04536	2.1
136.99187	4.0
150.03214	1.7
153.87029	1.6
161.02556	1.7
179.03523	2.3
202.38824	1.7
202.85249	1.6
304.69553	1.8
333.15485	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	396.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.9
60.01741	1.0
61.98836	100.0
69.52155	3.4
71.01397	2.0
74.99108	3.3
79.66888	1.0
85.02950	1.2
89.35074	0.9
96.96039	2.9
97.04451	1.0
104.79704	1.3
134.03757	1.3
135.04553	3.2
136.99168	2.4
150.03249	2.6
153.00105	1.2
161.02383	1.4
179.03526	4.1
192.07867	1.4
253.40413	1.2
333.15393	5.3
397.10956	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	396.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05968	50.6
56.24351	49.8
71.16481	100.0
91.94928	58.9
101.23896	53.3
106.33009	60.3
139.37172	55.6
223.78017	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11266	19.4
69.43024	98.9
76.92958	19.6
96.35144	21.2
96.96035	55.1
99.92579	33.5
109.46952	18.9
111.27603	19.9
112.47583	23.3
118.89988	100.0
119.34096	20.1
126.34475	21.1
135.44710	27.7
168.53336	20.9
396.11719	43.1
397.22983	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94318	8.2
61.09366	7.5
71.17806	8.9
79.95745	9.1
96.96010	89.9
99.34372	8.9
116.90834	8.3
165.43558	8.2
167.29414	8.1
175.73102	8.2
275.44299	8.5
397.22650	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	397.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.8
69.51673	23.2
71.01370	17.4
71.57993	5.5
72.99301	21.9
83.34086	5.8
85.02940	11.0
98.99401	8.0
111.00883	10.4
112.98570	16.6
117.00450	26.5
121.02961	8.7
125.00947	16.3
131.02002	7.4
141.00475	42.3
143.02020	8.7
156.99927	18.1
157.03558	36.8
159.01535	18.7
160.01611	8.4
165.99156	6.3
167.02031	29.9
168.99937	29.7
183.01439	8.1
193.00041	6.9
198.68501	6.5
198.99362	6.4
199.01031	12.0
201.02464	6.9
208.02428	7.2
208.97803	12.3
211.00972	56.0
212.97542	6.3
226.98819	7.8
234.00175	7.5
235.04651	7.3
238.06958	9.4
241.00543	25.4
243.03780	5.9
250.98955	23.3
251.99132	7.7
254.99799	15.9
255.08421	21.1
256.99979	21.7
259.01718	8.4
270.05225	6.9
273.12015	6.7
283.01633	30.7
285.03430	6.3
293.00070	100.0
294.00253	18.0
308.99536	24.4
309.99707	8.6
311.01001	11.6
323.01108	6.6
336.99167	10.8
337.03903	17.7
339.00360	7.9
369.01361	8.2
397.09802	37.6
398.09842	6.9
415.11166	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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
57.03445	2.8
58.00579	1.4
59.01386	100.0
68.99784	1.4
69.03461	5.9
70.18124	0.9
71.01389	68.2
71.41584	1.0
72.01732	1.5
72.99321	1.9
73.02953	18.2
75.00875	1.1
76.96097	0.8
81.03464	2.9
81.25296	0.9
83.00954	1.0
83.01383	6.8
83.04989	1.0
83.05596	0.9
85.02958	15.9
86.00105	1.0
87.00878	13.0
89.02453	53.9
91.03997	2.0
95.01394	4.7
97.02959	13.6
99.00893	4.2
101.02451	56.0
103.04037	1.5
105.30197	1.1
109.02940	1.1
111.00951	0.9
111.04540	4.0
112.08307	0.9
113.02470	23.7
115.04006	1.4
119.03526	17.3
120.03851	0.9
121.02978	1.5
125.02462	18.2
131.03485	2.5
133.05086	4.5
137.02405	1.3
139.04002	2.6
141.01939	1.4
143.03513	7.2
149.04607	1.8
161.04572	10.6
169.05148	2.3
169.43091	0.9
179.05603	4.0
217.07217	3.5
221.06667	3.6
222.09044	1.0
235.08244	17.2
236.08502	1.0
245.06717	1.1
253.09404	1.4
259.03500	1.0
277.09244	1.8
305.08728	1.2
312.75824	1.0
379.12567	1.3
397.13528	59.7
398.13937	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43499	1.7
55.01887	9.8
57.03447	6.6
58.03825	1.5
59.01087	3.7
59.01386	64.4
69.03455	2.1
71.01386	97.5
73.02956	37.0
75.00874	2.5
78.95935	2.3
81.03478	1.5
83.01405	16.0
84.02173	1.8
84.93906	1.8
85.02959	51.7
87.00897	5.7
88.98825	2.0
89.02448	20.0
89.02884	2.0
89.97078	1.8
93.03459	2.7
95.01406	5.7
96.96978	3.8
97.02973	3.7
98.95694	1.7
99.00905	14.9
99.92603	8.5
101.02453	100.0
102.02802	1.9
103.00369	2.0
113.02463	44.9
116.92875	30.4
119.03522	6.4
119.05053	1.8
125.02457	6.1
135.04535	3.3
136.85608	1.9
137.02458	3.6
137.06078	3.4
139.04074	2.0
143.03522	5.3
149.23656	1.9
158.93916	5.8
159.03024	14.2
161.04585	42.2
162.04970	1.8
165.05576	5.8
169.12415	1.8
179.03519	5.2
183.06659	2.3
190.33221	1.6
192.98291	2.3
233.96313	3.2
234.99350	6.0
235.11885	61.9
236.12279	4.5
265.13004	2.5
280.72931	2.1
292.97659	4.6
337.06934	2.4
397.04865	2.5
397.11746	3.5
397.17126	45.6
398.17697	4.8
403.11267	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	397.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.2
61.24520	1.0
67.45338	0.9
69.22205	3.9
71.01373	3.4
71.05032	1.7
73.02956	27.4
75.00879	1.1
75.31706	1.0
85.02979	1.7
95.05025	3.7
97.06602	4.9
109.06578	2.3
112.03000	0.9
113.06110	2.1
122.03757	1.3
123.08172	1.3
134.90497	1.0
135.04524	2.8
137.06044	1.0
139.07703	1.3
149.09747	1.2
151.07649	5.4
163.07590	1.3
165.09218	4.6
173.34641	0.9
178.06305	1.0
179.03520	1.8
190.82663	1.2
191.10843	1.5
193.08702	4.0
202.10004	2.3
203.10791	2.2
207.13919	1.3
215.10774	5.2
216.11562	2.2
219.10255	19.0
220.10916	4.3
221.11655	1.8
231.10226	3.9
231.13904	26.4
232.14238	2.0
233.11832	2.7
234.12637	18.5
243.13951	2.7
246.12584	6.6
249.14969	100.0
250.15259	9.4
261.14969	52.4
262.15265	6.0
317.17490	5.1
335.18622	3.4
344.16574	1.0
379.17603	1.3
397.18744	4.7
398.12119	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	397.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65638	0.7
55.01870	1.4
59.01384	100.0
60.01704	0.7
66.37836	0.6
71.01385	25.8
73.02950	10.3
83.01389	3.7
83.35709	0.7
85.02954	10.2
87.00861	3.5
89.02458	2.1
91.05552	1.1
95.01401	1.7
95.15416	0.6
97.02958	1.3
99.00904	3.2
101.02445	14.7
101.03107	0.9
105.70183	0.7
113.02450	10.9
120.99712	1.1
125.02464	1.2
143.03491	1.2
159.03035	2.5
161.04572	13.2
161.05870	0.9
173.08221	1.1
175.11288	11.5
176.11710	0.9
201.66063	0.7
203.05659	1.5
205.12468	1.4
217.24242	0.7
226.49352	0.7
229.14558	2.4
233.11908	1.2
263.11340	1.2
277.10840	0.7
355.17563	6.2
397.18433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.5
59.01385	40.0
65.03963	13.9
69.03461	37.5
69.32552	5.2
69.32951	7.3
71.01385	26.5
73.02950	6.2
74.32735	2.2
81.03465	8.2
82.09531	2.1
83.05034	84.8
85.02959	15.9
87.00861	1.9
89.02448	18.1
95.01423	5.0
95.05042	5.0
97.06596	5.4
99.00901	3.6
99.04528	2.1
99.58823	1.9
101.02447	10.6
101.85308	2.0
108.02207	2.6
109.02957	4.9
109.06637	5.0
110.00118	2.5
110.03774	2.2
111.04494	2.6
111.08134	1.9
113.02470	42.5
119.03520	7.6
121.06663	2.9
123.08218	10.5
127.04030	31.7
127.42507	2.3
131.03497	2.4
135.04547	7.3
137.06100	4.2
139.07649	2.2
149.09738	3.4
150.06874	3.0
151.07669	47.2
151.11243	2.8
153.49811	2.1
161.04581	4.8
161.06036	2.6
163.07602	2.8
164.98344	2.5
165.09267	9.4
165.99133	2.3
201.09232	7.7
203.10703	3.7
207.13960	6.3
219.10323	3.8
226.09966	2.8
231.10262	2.9
232.10971	3.6
233.11777	6.7
235.13364	13.5
241.12389	3.1
243.10173	4.2
246.12579	5.8
247.13300	3.2
251.12840	5.6
258.12604	12.2
259.13394	6.7
261.14978	49.4
262.15271	5.6
263.16599	3.5
269.04572	4.5
269.11819	2.7
270.05261	3.4
273.14975	9.6
277.14236	5.9
281.17706	4.2
284.14197	5.1
287.13065	6.1
288.13681	18.2
299.16574	20.5
300.16971	2.6
301.14621	2.3
302.15250	7.1
317.17584	50.6
318.17969	5.8
343.15598	3.5
361.16592	56.9
362.16953	5.2
379.17621	100.0
380.17801	13.4
397.18683	64.9
398.14438	2.3
398.18729	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20026	1.0
55.09783	1.0
57.03445	1.1
59.01384	100.0
61.99226	1.0
71.01380	3.7
85.02955	3.4
89.02475	1.8
89.78869	1.2
95.01360	1.3
99.04532	1.6
101.02488	1.9
113.02471	4.5
132.56041	1.0
183.61778	1.0
418.45462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93033	1.0
58.19454	1.2
59.01385	100.0
69.03443	2.0
69.08339	2.2
69.08742	4.9
71.01387	4.7
73.02944	2.0
78.95919	3.1
83.01384	1.7
83.05025	2.7
85.02953	2.9
89.02419	1.1
96.96947	1.2
113.02450	4.1
126.24474	1.1
149.06227	1.3
152.99596	4.9
161.02521	2.1
192.24443	1.3
219.13869	1.8
247.13136	1.4
249.14967	1.7
261.14993	3.1
311.60068	1.1
317.17697	1.8
347.81781	1.3
361.16580	2.4
377.48581	1.0
379.17511	2.6
397.18634	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93033	1.0
58.19454	1.2
59.01385	100.0
69.03443	2.0
69.08339	2.2
69.08742	4.9
71.01387	4.7
73.02944	2.0
78.95919	3.1
83.01384	1.7
83.05025	2.7
85.02953	2.9
89.02419	1.1
96.96947	1.2
113.02450	4.1
126.24474	1.1
149.06227	1.3
152.99596	4.9
161.02521	2.1
192.24443	1.3
219.13869	1.8
247.13136	1.4
249.14967	1.7
261.14993	3.1
311.60068	1.1
317.17697	1.8
347.81781	1.3
361.16580	2.4
377.48581	1.0
379.17511	2.6
397.18634	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	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18470	1.4
59.01387	100.0
71.01404	1.8
72.72169	1.7
79.76473	1.4
98.21825	3.5
104.58453	1.8
147.65829	1.7
147.67152	1.7
149.90280	1.5
209.54829	1.6
233.15541	2.0
236.99219	1.7
269.04626	2.3
305.17169	2.1
307.22626	4.1
321.49164	1.8
397.22171	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	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01385	100.0
60.01702	1.8
65.03963	1.2
66.18931	1.1
69.03449	2.2
69.06249	2.7
69.06670	4.5
71.01379	3.8
73.02959	5.7
83.01418	1.2
83.05019	6.7
84.32184	0.8
85.02954	4.1
87.00874	1.2
99.00890	1.5
101.02445	1.5
103.15327	0.9
107.39967	1.0
113.02455	3.7
123.08148	1.1
127.04043	2.2
135.04561	1.8
142.99835	1.6
175.04024	1.3
177.09230	0.9
217.07173	2.0
233.11539	1.8
235.13138	1.9
253.24870	0.9
259.13086	1.0
261.15079	2.0
281.17490	1.6
317.17627	3.0
361.16608	2.9
367.13953	3.3
379.17450	3.5
397.10294	1.4
397.18448	4.1
397.22964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01375	6.1
71.38835	1.5
73.02947	2.6
85.02966	3.0
99.00900	2.5
101.02457	2.2
111.00840	1.5
113.02486	2.4
134.03732	1.6
135.04549	2.3
138.60252	1.6
140.06488	1.6
176.23824	1.5
179.03479	2.3
249.14951	2.0
269.04645	1.9
369.31366	1.8
397.22156	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01375	6.1
71.38835	1.5
73.02947	2.6
85.02966	3.0
99.00900	2.5
101.02457	2.2
111.00840	1.5
113.02486	2.4
134.03732	1.6
135.04549	2.3
138.60252	1.6
140.06488	1.6
176.23824	1.5
179.03479	2.3
249.14951	2.0
269.04645	1.9
369.31366	1.8
397.22156	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	398.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09355	1.5
55.01878	5.1
57.03452	15.7
59.01383	74.4
63.42767	1.5
64.26849	1.5
69.08193	1.6
69.34650	6.4
69.35060	2.8
71.01385	28.0
71.85181	1.5
78.25885	1.8
83.01397	4.2
84.02158	3.4
85.02957	100.0
86.03288	4.2
87.00883	3.0
89.01942	2.9
89.02451	28.5
95.01391	3.5
99.04515	2.0
101.02441	13.4
107.05030	1.7
111.00893	7.1
113.02451	9.1
116.72201	1.5
119.03513	9.9
129.01968	11.4
132.02196	2.3
133.01402	1.6
134.03760	20.9
134.81429	1.7
139.43204	1.5
147.03009	12.3
149.06088	3.6
156.30969	1.7
160.01642	5.0
161.02441	2.3
161.13319	1.9
165.22244	1.6
173.00914	4.7
175.04030	11.5
176.04411	1.7
178.02715	6.9
179.03105	1.6
187.11197	1.7
191.02034	13.0
193.05052	24.4
194.05460	3.7
205.12363	5.6
249.11351	6.7
279.35269	1.6
323.07645	3.0
379.14066	2.4
411.31958	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	399.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98033	5.7
57.03445	3.0
59.01385	11.2
63.94472	5.8
64.95270	2.7
68.14146	1.5
69.50063	3.2
69.50413	5.7
70.99609	9.9
71.01379	3.8
71.96799	2.4
72.97532	4.1
72.99314	22.4
73.02974	3.3
74.99102	12.6
85.02962	9.9
87.00880	15.8
88.95266	8.5
89.00682	34.2
98.99104	3.8
113.02444	3.7
115.05529	1.7
117.00194	2.0
117.89532	1.7
117.97336	14.1
118.98102	47.1
120.97750	1.5
120.99676	2.0
130.29532	1.8
133.02991	7.0
134.03770	2.2
135.04564	14.7
136.04910	2.7
136.99092	2.4
142.98088	12.1
144.17079	1.6
145.02968	12.8
146.03735	6.3
147.04097	1.9
147.99860	2.3
149.06093	6.2
149.09814	2.5
151.07698	3.8
151.99451	1.8
158.03755	6.8
159.04539	31.8
160.04933	3.7
160.87465	1.7
160.99159	4.1
161.02441	19.9
162.02803	2.0
167.01695	12.9
173.06090	2.9
175.99373	8.3
176.03047	1.7
177.00182	2.3
178.00922	14.4
179.02094	1.9
179.03450	7.9
185.02429	1.8
186.03233	2.6
190.00946	29.4
191.01753	41.7
192.02519	46.2
193.03299	18.3
194.22023	1.7
201.05620	3.3
205.03290	4.2
206.04015	2.5
207.04865	87.6
208.05243	6.5
215.10828	1.9
218.00290	2.5
220.02074	4.9
223.99744	5.3
225.00456	11.5
229.08678	2.6
233.02792	3.5
235.04343	26.5
236.04736	4.1
237.11302	2.8
239.02066	100.0
240.02373	6.0
249.00514	16.9
267.01563	5.0
279.03461	4.5
292.99487	4.9
311.00391	5.1
311.09589	2.0
398.62244	4.8
399.02628	2.6
399.11636	4.0
399.20453	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	399.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
68.00198	0.3
71.01385	1.8
71.42265	0.5
72.99309	4.5
73.02966	0.5
75.00874	1.4
78.49905	0.3
78.95913	0.4
80.11777	0.3
84.93877	3.3
85.02969	1.6
86.55310	0.3
87.00874	0.4
89.02475	0.4
96.96982	0.4
98.95459	0.4
99.00902	0.4
99.92596	16.6
100.92637	1.3
100.93365	10.0
101.04295	0.9
101.93388	0.6
105.01931	0.6
107.05060	0.5
109.02978	0.5
112.98844	0.3
115.92087	15.1
116.92869	100.0
117.92881	6.8
119.05026	0.5
120.99709	0.7
125.94218	0.4
126.94943	3.1
133.02972	0.9
134.03752	0.7
135.02992	2.0
135.04544	3.6
147.02995	0.6
149.06357	0.7
152.01151	0.6
153.01869	0.4
153.93605	0.4
154.94434	0.7
161.02426	2.2
162.39568	0.4
169.93118	0.8
170.93933	5.0
179.03506	1.6
180.03853	0.4
181.08641	0.4
191.01936	0.5
196.95572	0.5
198.93405	3.0
198.97040	0.5
214.92940	2.7
223.02805	0.5
237.07990	1.1
265.01764	1.0
267.03186	0.6
283.02786	1.6
332.60056	0.4
337.03958	0.4
398.62305	1.2
399.03925	4.6
399.12189	0.8
399.17020	0.8
399.26230	0.7
400.03833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76062	2.1
57.03446	2.5
59.01385	5.6
59.16887	2.4
66.34364	2.1
69.36257	4.3
69.36641	5.7
69.40231	2.4
71.01404	2.8
83.01403	2.5
85.02969	14.5
88.61612	2.2
88.89662	2.2
95.05030	6.3
98.22713	3.0
104.49187	2.3
105.03466	18.8
113.02471	2.7
123.04536	5.6
129.01942	3.2
133.02971	100.0
134.03270	4.3
135.04576	4.3
142.56735	2.1
147.04613	4.1
151.04050	2.4
156.04987	2.5
161.02452	17.8
162.02919	2.3
175.03989	3.5
177.01947	58.5
178.02245	4.0
179.03545	2.7
191.01991	3.9
193.05013	2.5
209.03065	4.0
339.07239	3.0
341.08853	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	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.8
57.03180	4.3
57.03443	14.9
59.01377	54.2
71.01382	34.7
72.99310	12.9
78.13771	4.3
83.01401	37.2
85.02956	100.0
89.02439	6.0
92.43321	4.3
98.45271	4.5
99.00903	5.5
111.00900	37.4
115.00394	6.3
117.03500	7.0
125.02448	4.9
129.01953	42.7
130.57288	4.1
133.01437	5.1
134.03758	79.3
135.04550	9.6
143.03499	18.3
149.06123	12.0
154.99879	5.7
160.01666	7.8
161.02328	6.5
171.10318	9.9
173.00926	42.3
175.04068	11.5
178.02777	5.0
179.03523	7.3
191.02042	35.2
193.05084	81.4
205.03441	4.4
223.04610	17.0
233.08200	5.9
253.17336	4.6
261.07724	10.9
369.04117	5.1
398.62662	6.3
399.13660	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	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92138	1.7
55.01877	7.1
57.03448	12.1
59.01388	20.8
71.01392	16.2
71.21010	2.1
72.99300	3.1
73.02942	8.6
74.02486	2.6
74.99108	1.7
75.00882	4.0
83.01400	22.5
85.02956	100.0
86.03290	2.8
87.00855	3.9
89.02448	3.2
99.00888	2.8
101.02450	7.5
103.00407	1.7
107.04985	2.7
111.00298	1.9
111.00909	24.4
111.75276	1.8
113.02467	3.6
115.00377	2.6
117.03486	2.4
118.98052	2.9
121.06592	2.2
125.02443	1.8
129.01941	23.3
133.02942	5.6
134.03757	52.3
135.04321	2.2
139.07687	1.8
143.03529	10.1
147.03027	4.5
149.06053	3.2
161.02428	5.8
161.04546	3.0
173.00867	7.9
178.02725	2.1
189.90294	1.9
191.01982	29.9
193.05083	35.3
194.05302	2.4
205.03557	16.9
223.04616	54.8
240.92862	1.7
246.09555	1.7
269.91040	1.9
270.04895	3.2
292.53430	1.9
381.19257	4.8
399.16687	2.9
399.26007	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	399.1296
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
50.00761	0.3
55.01881	0.8
57.03444	1.1
59.01386	5.2
64.32954	0.3
65.89835	0.3
70.02856	0.4
70.03160	0.8
71.01388	4.5
72.99286	0.3
73.02937	2.4
73.03245	0.3
75.00884	0.8
83.01394	2.6
85.02955	7.0
87.00882	0.6
89.02464	0.9
91.93303	0.3
99.00895	0.9
101.02462	3.5
105.03487	0.7
107.05047	1.1
111.00888	2.0
113.02460	1.7
115.00346	0.5
116.07194	0.5
117.03502	2.3
119.05044	0.7
129.01929	2.0
129.10341	0.8
132.02187	1.4
133.02966	30.0
134.03781	10.4
135.04553	6.3
143.03529	1.1
145.02919	0.6
147.03018	0.6
149.06047	0.7
160.03966	0.4
161.02457	100.0
162.02809	5.2
163.03963	1.1
173.00952	0.7
178.02707	0.6
179.03493	2.7
191.01964	2.0
193.03296	0.8
193.05055	12.9
194.05463	0.9
194.90747	0.3
213.00180	0.4
223.04668	0.5
251.16522	0.5
263.16812	0.4
315.86826	0.3
361.14148	0.5
399.12973	58.6
400.13281	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	399.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.5
65.62067	4.5
69.08672	4.2
69.32731	24.6
71.01371	6.8
72.99332	5.3
85.02971	5.9
97.02960	28.5
97.06577	4.4
98.54660	4.0
118.44379	4.3
175.11324	5.0
193.12306	8.2
197.42966	4.4
219.10313	8.2
237.11377	9.7
249.14943	5.5
251.12604	4.2
268.14764	14.2
271.13467	26.4
286.15906	5.2
301.18109	89.2
302.18192	4.5
345.17056	36.5
346.17542	6.3
366.97809	4.5
399.15799	100.0
400.15958	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	399.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47870	9.5
58.21684	9.9
59.01378	38.0
66.38709	9.2
69.34589	50.2
71.01389	26.8
75.03496	8.8
77.44478	8.5
79.01538	9.4
165.09364	10.8
170.21289	10.8
219.10316	22.2
221.44884	11.8
231.13914	32.1
234.12538	18.3
249.14964	100.0
270.07651	16.3
280.13272	9.3
281.47046	10.3
327.16238	9.1
336.70267	10.9
345.16855	14.1
357.25079	10.6
399.15982	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	399.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08412	0.5
53.50246	0.6
59.01379	1.5
65.52624	0.6
68.84925	0.7
73.08108	0.7
79.45045	0.6
83.05040	1.1
95.05033	2.3
98.22619	1.7
129.02414	0.6
147.01619	0.6
151.76294	0.6
176.12576	0.6
205.31786	0.7
220.14668	2.0
221.15483	7.8
260.22455	0.7
289.21872	2.0
317.21228	100.0
318.21573	11.5
339.19412	41.1
340.19696	5.0
399.21548	12.1
400.21957	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.239
Annotation	(2'S,3'S,6'R,8'R)-Homononactoyl-(2R,3R,6S,S)-nonactic acid
Peak:m/z	Relative Intensity
55.01883	11.0
57.03454	19.2
58.00602	6.8
59.01385	38.6
65.54263	0.5
67.01903	1.4
68.99831	3.2
69.03461	16.0
70.03804	0.8
71.01389	92.9
71.05019	3.9
72.01738	1.4
72.02164	0.8
72.99316	2.0
73.02953	100.0
74.03304	1.5
75.00905	0.9
81.03462	2.9
82.05576	0.5
83.01395	31.5
83.05038	1.1
84.01720	1.0
84.02180	2.6
85.02959	42.9
85.06597	0.8
86.00109	6.7
86.03246	0.6
87.00890	18.7
87.04521	47.5
88.01673	1.2
88.04874	0.9
89.02453	11.2
95.01400	15.6
95.02026	0.8
97.02959	12.9
97.06596	1.3
99.00894	20.5
100.01713	2.9
101.02454	88.6
101.06090	1.1
102.02802	2.1
108.50804	0.4
110.00085	0.6
111.00896	44.7
111.08160	0.6
112.01720	8.4
112.98870	0.8
113.02464	53.4
114.02822	1.5
115.00387	1.2
115.04020	1.4
115.07683	1.8
116.01173	2.1
119.03518	2.7
123.00911	0.8
123.08176	1.0
124.01678	4.9
125.02465	15.7
125.09789	1.1
127.07681	5.1
128.01151	0.9
129.01950	0.6
130.02730	0.8
131.03532	0.9
133.10239	3.0
137.09785	0.8
139.11319	3.8
141.01950	4.5
142.02736	3.6
143.03523	9.2
149.09744	0.6
149.13373	1.3
151.11310	5.8
153.12881	0.9
155.07179	3.0
157.01483	0.7
158.02202	0.8
160.03760	0.8
161.04593	2.7
167.10811	0.9
167.14441	3.7
169.12366	22.2
170.12807	0.5
179.05667	0.6
179.14449	7.0
180.14737	0.6
181.12387	3.3
183.13957	4.8
184.14229	0.6
185.15501	5.6
195.13913	1.3
203.14453	1.8
209.15515	0.6
210.03323	0.5
211.17067	4.7
221.15508	2.5
227.16545	7.5
228.16943	0.6
237.18576	1.0
239.16550	15.5
240.17009	1.2
255.19658	13.0
256.20081	0.9
267.16107	1.0
279.19669	0.9
297.17041	1.4
297.20633	8.7
298.21115	0.7
299.18668	0.9
311.18793	2.8
321.20633	0.9
325.20203	1.6
327.18219	0.7
329.19705	14.7
330.20044	0.7
337.20071	1.0
351.21500	0.9
363.21844	1.2
381.18503	1.0
381.22940	10.1
382.23141	1.0
399.23901	96.9
400.24283	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.9
57.03174	0.6
57.03455	10.8
58.00602	0.4
59.01385	20.1
67.01890	0.9
68.99831	0.7
69.03462	2.8
71.01389	66.5
71.05037	1.3
72.01722	1.2
72.02147	0.4
72.99323	1.2
73.02955	11.1
74.03333	0.4
75.00912	0.3
78.32719	0.3
81.03474	0.5
81.14426	0.3
81.84386	0.3
83.01395	12.5
83.05033	1.2
84.02174	2.0
85.02959	59.5
86.00117	0.5
86.03280	1.5
87.00890	2.8
87.04522	28.6
88.04868	0.8
89.02456	9.2
95.01397	19.5
96.01723	0.6
97.02963	2.3
97.06621	0.3
99.00891	11.1
100.01672	0.8
101.02456	11.4
112.01713	2.0
113.02461	100.0
114.02792	3.0
119.03490	0.6
124.01674	0.5
125.02486	1.4
125.09720	1.4
129.01947	0.6
131.03540	0.6
135.21321	0.3
139.11311	0.5
143.03525	4.1
149.13383	0.5
159.03053	0.6
160.03758	0.7
161.04567	6.0
167.14455	1.0
169.12405	1.5
179.14432	2.6
183.13943	1.2
185.15541	2.3
211.17065	0.5
216.80257	0.3
233.15480	0.6
255.19591	3.3
257.15195	0.3
301.18091	0.6
311.18793	0.8
327.15988	0.7
345.17123	0.7
363.18350	0.5
369.23062	0.4
397.22586	0.4
399.23917	30.0
400.24255	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	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53131	2.5
61.33075	2.3
67.05423	2.2
67.24630	2.5
69.72904	10.4
78.38435	2.6
93.86848	2.8
98.22649	3.4
141.09195	3.9
167.14333	3.2
195.13908	7.7
213.14970	6.4
237.14867	6.4
239.16656	5.8
255.16035	93.0
256.16333	8.4
257.14941	5.4
257.17606	100.0
258.17896	7.5
275.85281	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	400.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
59.01087	5.6
59.01382	100.0
60.01700	10.9
69.14947	21.8
71.01387	21.5
73.02939	8.4
74.99101	22.3
75.43340	2.9
85.02954	21.2
87.00887	4.2
89.02444	10.7
96.83619	2.7
99.00875	4.6
101.02471	16.0
113.02464	9.6
115.77499	2.9
116.92804	4.0
118.98074	11.3
135.04558	10.7
136.04893	3.5
136.99174	14.5
139.07668	7.1
145.34363	3.0
161.02489	4.0
161.04613	21.4
179.03497	8.9
179.05693	3.6
246.68211	2.9
289.23700	3.4
357.15515	8.4
399.62549	7.4
400.16339	3.9
401.12436	3.7
401.18219	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	401.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05020	3.0
57.49898	2.8
59.01383	59.9
61.98833	9.3
64.81288	3.5
71.01392	9.1
83.01429	4.7
85.02942	5.6
89.02465	6.9
96.96004	2.9
98.99299	3.1
101.00928	3.2
101.02457	12.3
116.00090	2.9
117.00451	22.6
119.00252	7.5
125.00983	5.9
131.02010	14.5
132.02124	4.5
133.01773	8.7
141.00493	9.2
157.03542	9.2
159.01532	25.6
161.01294	6.9
168.01537	4.2
174.99484	4.8
176.98177	4.8
183.01485	18.0
198.99345	22.8
201.02568	8.7
217.00558	20.7
218.00656	5.7
219.00262	4.3
241.00589	6.8
259.01489	34.0
259.03854	3.5
259.08377	4.1
260.01602	6.1
261.01349	11.7
270.09723	3.6
274.99619	19.7
275.03067	17.8
275.99893	7.1
289.04559	13.5
315.02826	3.6
317.00641	51.0
318.00882	5.6
319.58612	3.3
341.00681	13.5
341.10599	4.6
343.01883	3.6
357.03925	4.8
359.01755	39.9
360.01794	10.0
373.03006	13.3
383.01797	5.6
401.02759	100.0
401.10416	43.4
402.03006	24.2
402.10764	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	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.7
71.01393	15.2
85.02989	7.4
85.90022	6.5
89.02450	25.4
101.02457	9.6
108.02179	7.4
109.03007	12.8
110.86339	6.8
113.02435	7.4
113.88793	5.8
133.30341	6.7
142.05148	11.0
143.28697	6.0
146.06329	7.5
149.98895	6.9
152.01155	8.4
153.02014	10.8
166.69833	7.0
179.05635	7.9
201.07671	7.9
251.39674	6.4
285.34308	7.4
341.10904	21.4
357.08206	9.7
363.12930	9.1
401.10400	100.0
402.11020	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	401.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80429	0.5
59.01370	3.0
62.50974	0.5
66.20473	0.5
67.46239	0.5
71.01389	4.7
73.02949	1.0
83.05043	4.8
85.02966	1.1
97.49728	0.5
108.04593	0.9
115.00354	0.7
118.91178	0.5
121.05368	0.8
127.04036	0.6
133.01431	0.5
135.04549	0.7
136.04042	0.8
138.03270	0.7
160.04074	1.0
161.35825	0.5
174.05560	0.7
179.10788	0.6
188.03552	1.5
189.04369	0.6
197.04785	1.0
198.04401	2.2
204.06693	1.4
209.07220	0.6
211.05055	0.8
212.07446	5.2
213.06854	0.7
223.08636	0.6
224.07233	0.9
225.04410	0.7
225.06645	1.3
226.03824	5.4
226.07448	0.7
227.04604	0.7
227.08293	2.2
237.06731	0.7
238.08975	0.9
239.04469	3.2
239.08362	1.7
240.05119	5.8
241.06145	5.4
241.09857	2.0
250.07477	0.6
251.08264	1.7
252.05540	0.9
253.06218	2.1
253.09921	1.1
254.06920	3.0
255.07759	10.8
256.08365	1.6
256.12308	0.7
257.12857	1.3
265.06201	1.3
265.09851	1.0
266.07251	2.2
267.04135	13.0
267.07718	5.2
268.04721	1.4
268.08566	2.0
269.09375	1.7
277.06430	0.7
278.06912	0.8
279.07745	1.1
280.04947	1.2
281.05704	2.1
281.09320	6.8
282.02914	1.4
282.06470	4.2
282.09549	0.9
283.07233	8.1
291.07724	1.5
293.05652	2.0
293.09372	1.3
294.06342	2.5
295.07239	7.5
296.07751	1.0
299.06741	2.0
300.11172	1.1
301.11847	1.2
309.08795	14.5
309.12183	1.0
310.09213	1.1
311.10248	0.7
313.08380	0.7
315.09921	4.7
325.08203	0.9
325.11868	0.7
327.09894	1.5
337.08270	7.8
338.08823	0.9
341.11511	1.9
365.19650	4.5
369.10941	33.1
370.11307	3.7
401.13571	100.0
402.13861	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69996	2.9
59.01388	100.0
69.51151	11.5
71.01388	21.2
73.02951	25.2
80.77805	2.4
83.01365	5.8
85.02963	9.7
89.02477	15.1
101.02438	23.2
113.02457	12.0
119.03568	4.9
119.05023	24.5
143.03474	2.6
161.04506	5.3
167.39218	2.5
184.77208	2.7
184.79330	2.5
201.11287	6.3
234.67096	2.7
238.80875	3.0
239.09242	2.8
281.10349	23.7
299.11349	7.0
341.12543	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47633	1.4
55.01883	7.1
57.03444	5.7
58.00602	1.9
59.01383	68.7
68.18465	1.4
69.03472	2.3
71.01387	88.2
72.99303	1.4
73.02950	44.2
75.00869	1.8
83.01398	18.4
85.02957	51.3
85.03478	2.6
86.00074	1.9
86.03276	2.6
89.02461	12.8
95.01381	7.2
96.77644	1.5
99.00887	18.9
101.02451	69.2
102.02795	1.6
111.00906	3.6
113.02459	42.6
125.02470	2.2
127.68458	1.4
131.03549	1.9
132.08563	1.4
143.03528	3.6
149.04527	1.6
159.03011	7.3
161.04573	60.5
162.04889	3.5
183.54984	1.5
192.42633	1.6
269.10306	100.0
270.10718	8.8
308.00314	1.5
394.22507	2.0
401.14529	36.6
401.19620	1.8
402.14850	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	401.174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	9.0
64.66122	6.1
71.39172	6.6
78.74631	7.5
82.70544	6.6
121.02958	100.0
122.03242	6.3
150.57359	6.1
168.92422	6.3
183.75693	6.1
207.13843	6.6
208.77629	6.2
223.66684	5.6
242.87950	6.2
313.07288	21.7
329.17584	20.2
357.06027	7.4
401.08752	21.6
401.17496	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	401.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38677	5.6
67.01878	4.9
69.92384	12.5
74.16911	5.2
95.05053	12.3
96.73647	5.0
97.06583	9.1
98.22635	4.8
121.02933	9.4
121.06631	5.9
127.07610	5.5
132.00105	5.6
135.32478	5.2
139.07660	88.5
151.07669	9.5
151.11324	5.7
165.09218	10.1
183.17618	5.7
207.13936	21.8
221.34305	4.8
231.10307	14.2
299.12741	7.3
300.13657	10.5
314.15536	5.4
329.17590	100.0
330.17993	9.6
347.18619	35.6
383.16315	7.7
401.08920	6.6
401.17505	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1821
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.90256	0.6
55.01879	4.0
57.03449	3.4
59.01384	80.3
60.01719	0.8
69.03469	1.3
69.49500	1.4
69.49886	1.3
71.01389	29.3
72.99317	1.4
73.02956	14.0
75.00877	0.6
83.01395	6.6
85.02955	17.4
86.00101	2.0
87.00890	1.9
87.04501	0.6
89.02455	9.5
91.58051	0.5
95.01395	3.5
97.02966	1.1
99.00887	3.4
101.02450	26.6
113.02460	14.6
114.02849	0.6
119.03519	5.0
125.02501	1.2
131.73779	0.6
143.03513	2.0
159.03052	1.0
161.04596	3.0
179.05692	0.8
197.11786	4.3
237.78702	0.6
239.12920	0.8
247.83778	0.6
257.95361	0.7
315.18155	3.1
341.16104	13.1
342.16415	1.2
349.35370	0.6
359.17148	28.8
360.17645	3.1
401.18188	100.0
402.18539	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03459	2.6
59.01386	94.8
60.01733	0.8
61.98836	5.4
69.03453	1.6
71.01390	35.4
71.05059	0.8
71.39642	0.6
72.01739	1.1
72.99317	1.4
73.02958	19.1
74.99099	4.3
83.01395	8.2
85.02958	15.0
86.00148	1.2
87.00900	3.0
89.02457	19.8
95.01402	3.6
96.96031	1.3
97.02959	1.1
99.00897	2.3
99.04575	0.8
101.02457	29.2
101.06091	0.7
102.02818	0.9
113.02463	13.1
119.03529	7.5
125.02464	1.8
129.01927	0.8
130.08711	0.6
131.03537	1.6
135.11852	0.8
136.99170	5.4
143.03537	1.7
149.04593	1.0
153.94070	0.6
161.04576	2.9
165.05573	0.8
179.10851	2.0
181.03325	0.9
197.11818	5.0
235.13409	0.7
239.12961	0.9
263.12921	0.7
315.18341	1.0
331.68005	0.7
341.16058	12.8
341.19995	1.0
342.16153	1.0
359.17123	30.8
360.17538	3.6
401.18188	100.0
402.18631	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	401.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18550	0.8
58.16121	0.7
59.01365	2.6
62.87555	0.9
70.21344	1.1
70.21690	1.7
121.02970	5.6
143.50539	0.8
216.91759	0.8
272.15366	0.8
301.21814	3.7
302.71622	0.9
304.96036	0.9
313.07217	1.9
319.22794	100.0
320.23123	14.7
351.26102	0.9
353.82327	0.8
357.06155	1.3
369.41513	0.8
401.08960	1.8
401.23099	20.9
402.23276	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	402.1066
Annotation	Hamigeran D
Peak:m/z	Relative Intensity
54.25645	9.9
59.01387	18.9
64.72141	8.1
69.76360	29.1
77.23013	9.5
82.05646	8.0
94.92081	11.8
96.68615	9.4
98.21931	11.9
322.43259	9.4
360.50470	11.7
364.13342	22.4
402.10696	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	402.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18688	8.6
59.01391	69.4
61.98842	10.4
71.01391	29.5
73.02951	100.0
83.01393	12.9
87.19820	11.4
96.88305	9.6
98.22659	32.7
99.96835	10.5
101.02438	18.7
121.02927	15.7
127.04034	13.6
149.06062	21.2
155.10773	75.1
164.07159	22.3
169.12346	14.2
181.06624	9.5
197.11835	18.2
202.48978	11.0
209.61420	10.2
211.51248	10.3
224.88713	10.9
240.10368	17.9
396.21384	13.1
402.09082	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.6
57.03451	13.5
59.01382	10.7
61.98847	1.0
64.41385	0.5
68.99797	0.8
71.01400	4.1
72.99314	1.4
73.02950	1.3
75.00875	1.7
78.95920	2.8
83.01394	2.0
84.02180	1.4
85.02959	100.0
86.03300	2.5
86.19097	0.6
87.00864	1.3
89.02460	1.5
96.96024	1.0
96.96986	0.5
101.02450	1.8
103.00394	1.9
109.03001	0.6
111.00921	3.7
113.04321	0.5
115.00406	0.7
119.03411	0.6
129.01964	8.2
133.06616	2.3
134.04758	1.3
135.04491	0.7
137.02414	0.7
137.99596	0.5
140.67247	0.5
147.03012	15.2
152.04846	0.7
153.05658	1.8
161.02376	1.0
167.03493	1.2
173.00954	2.0
179.03517	1.0
181.08734	1.1
188.90886	0.5
191.01987	16.4
192.02402	1.1
203.81276	0.6
211.06158	2.0
236.62810	0.5
241.05182	1.0
241.08636	0.6
287.14819	0.7
403.07867	0.5
403.15884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61243	0.5
55.01872	2.3
55.91566	0.5
57.03175	0.8
57.03452	12.4
57.38216	0.5
59.01382	8.5
61.64477	0.5
68.99830	0.7
69.77706	0.7
69.78059	1.7
71.01394	3.9
72.99303	1.6
73.02949	1.4
75.00887	3.1
83.01394	2.2
84.02174	1.6
85.02956	100.0
86.03293	2.2
87.00874	0.9
89.02448	0.7
98.21995	0.8
101.02437	1.3
103.00397	2.1
111.00893	4.5
115.00396	1.0
125.61749	0.5
129.01952	7.3
137.02419	0.7
143.04703	1.1
147.03012	10.5
152.04845	1.0
153.05600	1.4
173.00934	1.1
191.01993	15.6
211.06145	2.7
214.26741	0.6
254.07649	0.7
272.09131	0.7
279.08578	0.7
306.07800	1.7
315.90570	0.5
340.46866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07334	0.9
55.01890	1.9
57.03449	6.5
59.01384	100.0
61.98837	11.9
69.64851	2.3
69.65228	2.6
71.01387	6.7
83.01395	2.4
85.02956	60.2
89.02448	1.8
89.88199	1.2
93.03465	1.1
95.05037	1.0
101.02437	1.8
103.00402	1.1
111.00874	2.5
111.53986	1.1
113.02460	5.8
115.00375	1.3
121.02907	1.5
121.06652	1.5
123.04504	1.2
125.06177	1.7
129.01981	4.0
132.23079	1.1
135.04535	3.5
137.02466	5.3
137.06039	1.2
147.03026	6.7
149.06062	1.3
151.04028	2.6
153.05588	8.6
159.04504	1.3
161.02466	7.4
163.04021	4.7
171.06709	1.4
173.00935	1.6
177.05577	2.8
179.03493	6.9
181.05075	32.8
182.05360	1.7
191.01990	11.4
195.06654	2.8
197.04581	2.6
205.05054	2.8
211.06091	1.3
223.06192	2.5
284.82748	1.2
306.71378	1.1
341.08762	2.7
403.16064	3.7
403.21378	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	403.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22656	1.1
56.24263	1.1
57.03441	1.5
57.03740	0.9
59.01373	3.8
65.15408	1.1
69.21836	2.3
69.22251	4.7
70.67802	1.3
71.01369	3.0
82.02984	1.3
84.04543	1.8
85.02964	6.3
94.02994	2.0
98.22643	2.5
99.04545	7.0
99.94334	1.0
101.02477	1.6
107.05033	2.0
113.02399	1.8
121.06614	17.8
124.02792	1.1
127.05135	2.6
133.06602	12.0
135.04483	2.0
142.25143	1.0
145.05246	2.0
145.06210	3.0
147.04536	71.2
148.04883	3.2
148.07680	6.0
149.06068	2.6
150.08098	2.1
150.09259	33.0
151.09570	1.5
169.70984	1.1
172.04045	4.2
173.00925	1.1
174.05618	47.8
174.17960	1.0
175.04071	1.4
175.05898	2.2
186.06851	2.2
187.07642	2.5
188.07156	11.3
191.01953	1.4
200.07184	3.6
209.09444	1.3
214.08769	3.3
216.10310	24.8
217.10609	1.1
226.77641	1.2
227.10526	2.2
232.13379	1.0
233.13011	6.7
241.09836	2.8
242.08199	9.1
258.08853	2.1
259.10895	100.0
260.11285	6.9
277.11993	3.2
285.08807	1.6
303.09903	14.4
304.10187	1.3
359.16119	2.6
403.14832	1.3
403.19827	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	403.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35834	3.2
52.52739	4.2
58.02980	3.8
59.01388	35.0
61.98830	17.4
71.01380	11.1
73.02956	28.6
78.95883	3.8
82.03001	7.5
83.01402	8.1
89.02478	4.7
99.08145	4.8
101.02454	18.0
107.05058	9.0
113.02486	5.0
121.06636	5.0
133.06586	9.2
145.05359	10.6
147.04517	13.2
158.06129	28.6
187.06389	50.4
188.07169	56.6
200.07188	17.9
202.08759	18.3
213.09340	5.5
214.08696	14.2
215.05891	100.0
216.06384	11.2
240.10274	38.9
241.08679	10.6
241.11049	42.1
241.13640	4.9
241.14328	4.4
242.08246	39.2
242.11610	6.2
252.07932	4.2
254.12047	6.5
256.09821	22.9
259.09793	6.0
273.12506	25.0
284.09134	4.7
301.11948	97.9
302.12320	7.2
328.14294	4.4
403.14560	4.9
403.19806	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	0.9
57.03447	6.9
59.01382	63.8
60.01706	1.1
68.97804	0.8
69.03448	1.5
69.19492	2.0
69.19901	3.7
71.01385	34.5
73.02955	16.5
81.03457	1.0
83.01389	2.9
83.05032	0.9
85.02980	5.8
87.00879	1.2
89.02448	6.8
95.05020	1.4
97.02957	2.9
98.21847	1.7
99.04540	1.9
101.02443	9.2
101.06088	45.5
101.06757	2.2
102.06448	1.2
108.02113	1.1
109.06580	1.2
111.04524	7.0
112.74559	0.9
113.02451	7.3
113.06073	3.9
119.03516	2.4
123.04543	5.2
127.07673	5.5
131.03516	1.2
135.08173	5.8
141.05588	41.7
142.05920	1.2
143.03511	1.0
153.09247	4.5
156.98409	0.9
161.04535	1.6
171.10287	4.9
179.10727	4.0
181.08714	16.8
197.11768	2.4
198.12172	1.0
199.09770	100.0
200.10057	5.0
223.09773	5.6
241.10785	4.1
244.59384	0.9
343.14032	12.5
344.14331	2.1
361.15210	7.4
362.15610	1.1
403.15973	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	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01825	0.9
57.03447	6.9
59.01382	63.8
60.01706	1.1
68.97804	0.8
69.03448	1.5
69.19492	2.0
69.19901	3.7
71.01385	34.5
73.02955	16.5
81.03457	1.0
83.01389	2.9
83.05032	0.9
85.02980	5.8
87.00879	1.2
89.02448	6.8
95.05020	1.4
97.02957	2.9
98.21847	1.7
99.04540	1.9
101.02443	9.2
101.06088	45.5
101.06757	2.2
102.06448	1.2
108.02113	1.1
109.06580	1.2
111.04524	7.0
112.74559	0.9
113.02451	7.3
113.06073	3.9
119.03516	2.4
123.04543	5.2
127.07673	5.5
131.03516	1.2
135.08173	5.8
141.05588	41.7
142.05920	1.2
143.03511	1.0
153.09247	4.5
156.98409	0.9
161.04535	1.6
171.10287	4.9
179.10727	4.0
181.08714	16.8
197.11768	2.4
198.12172	1.0
199.09770	100.0
200.10057	5.0
223.09773	5.6
241.10785	4.1
244.59384	0.9
343.14032	12.5
344.14331	2.1
361.15210	7.4
362.15610	1.1
403.15973	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03444	2.7
59.01385	100.0
65.04739	1.0
65.54630	1.1
66.12074	1.1
67.05527	1.4
71.01391	46.0
72.99337	1.6
73.02953	2.2
83.01390	2.1
85.02959	22.5
87.00900	1.7
89.02456	52.0
90.02743	1.0
95.01424	2.5
99.04533	5.4
101.02454	24.1
107.05086	1.1
111.04514	1.0
113.02457	16.5
119.03522	21.9
124.05315	2.1
129.02007	1.3
131.03537	2.1
135.01227	1.3
135.11819	6.4
143.03517	2.0
147.03064	1.4
149.04652	1.2
161.04584	2.6
161.09775	3.4
179.05655	5.0
179.10793	44.8
180.11102	3.1
191.01976	2.9
197.11967	1.4
205.08817	1.0
208.64250	1.0
223.09779	96.9
224.10165	6.4
241.10980	2.4
403.08038	1.1
403.16113	10.9
404.14050	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	403.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34728	0.6
57.03453	0.9
59.01385	100.0
60.01714	1.4
61.98831	4.2
65.76354	0.6
67.01904	0.8
69.03459	11.8
69.63268	2.3
71.01392	1.7
85.02966	0.8
85.06610	2.2
88.69786	0.7
97.03038	0.8
97.06596	6.3
107.05111	0.8
107.88060	0.7
113.02467	0.8
119.05070	0.9
121.06582	4.3
129.14240	0.9
135.08211	1.5
137.06129	2.3
143.05017	1.0
145.06593	4.8
146.07307	1.0
149.06145	2.2
149.09758	1.6
157.06601	13.0
158.07344	2.8
159.08209	2.1
161.02441	0.9
161.09729	6.0
171.08183	2.5
172.08955	2.4
173.09727	5.2
177.09200	0.9
179.03508	1.2
179.07140	1.0
183.08215	1.1
186.06929	2.2
187.07584	1.6
197.06184	0.9
199.07721	2.7
200.08441	7.6
201.09227	39.4
202.09677	2.6
213.09256	2.5
215.10889	1.5
216.11641	3.0
219.10344	4.4
219.14006	2.2
225.09087	0.7
226.10039	1.4
227.10767	1.7
231.13905	8.3
233.11993	1.0
234.12730	2.1
240.08008	3.1
240.11574	1.0
241.12454	1.1
243.13911	45.4
244.14384	4.5
247.13469	0.8
249.14964	16.5
249.17355	1.1
250.15300	1.6
254.09612	1.0
255.10286	7.2
255.13963	1.8
256.14548	0.8
257.15527	3.2
269.11954	4.6
269.15192	1.5
270.12213	1.0
271.17035	4.9
281.15479	1.8
283.13577	2.1
284.14203	17.3
285.14777	1.1
287.22470	1.0
291.16107	3.4
297.15018	4.8
298.15573	0.8
299.16556	65.5
300.16876	8.1
315.16086	1.5
316.13016	1.1
317.17551	5.7
318.18002	1.0
334.14130	0.8
343.15518	13.7
344.15997	0.9
359.18674	2.3
403.17615	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	403.1976
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01879	1.6
57.03448	2.4
58.00582	0.7
59.01385	65.4
61.98831	2.6
67.01905	0.6
69.03445	1.5
69.46375	1.4
69.46788	1.4
71.01386	28.4
71.05020	0.9
72.99318	1.2
73.02563	1.0
73.02950	11.9
74.99088	0.9
76.29277	0.6
80.37322	0.5
81.03473	0.7
83.01397	4.1
85.02957	13.0
86.00115	1.0
87.00879	5.9
89.02460	6.6
95.01411	3.4
95.01943	0.7
97.02969	1.8
99.00893	1.8
101.02450	18.0
110.80756	0.5
111.00880	0.9
113.02467	7.8
118.98102	1.5
119.03506	2.4
124.01672	1.2
125.02451	1.5
129.01915	0.7
135.06874	0.5
141.01941	0.5
143.03511	1.0
153.12901	0.7
155.12679	0.6
159.03015	0.9
161.04590	1.8
161.05901	0.5
162.77303	0.6
181.12373	6.3
199.13420	9.8
200.13788	0.6
213.14958	0.7
221.66618	0.5
241.08714	1.1
241.14473	1.0
261.11389	0.8
317.19763	2.2
343.17621	26.2
344.18179	2.8
361.18689	44.7
362.19214	2.9
403.19763	100.0
404.20093	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	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	22.8
62.97960	24.8
69.45720	100.0
73.50871	20.3
74.90289	23.5
85.01632	19.6
96.18151	20.8
98.21904	48.2
98.22600	61.2
160.54906	19.9
201.90865	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	36.9
61.98833	78.6
64.65919	36.2
95.36765	33.8
192.04333	100.0
318.17056	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2493
Annotation	plakortolide S
Peak:m/z	Relative Intensity
51.14966	0.9
59.01383	1.0
61.08913	1.0
61.98841	1.5
70.34066	2.1
91.63143	1.0
94.63425	0.9
117.03472	15.0
119.05036	28.8
121.02921	1.0
129.50037	1.2
145.02963	100.0
146.03331	4.8
163.04024	15.7
239.20317	1.8
245.19214	1.1
257.21283	7.5
278.68646	1.1
354.32254	1.1
384.61823	1.2
403.24890	35.4
404.25223	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	403.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98230	21.0
70.95285	22.7
70.95638	21.4
79.89861	22.7
83.28255	20.6
84.53596	21.5
115.79598	20.5
246.78192	21.4
283.22806	100.0
403.26462	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83340	73.8
54.25401	62.0
70.67767	100.0
78.11107	64.6
79.01810	62.6
85.68864	64.7
98.65326	61.2
178.10318	67.3
196.78746	90.0
308.24820	67.6
415.57291	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	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01375	9.0
61.98835	100.0
68.35457	1.1
71.01390	2.3
73.02906	1.1
74.38896	1.1
76.95325	1.2
83.01376	1.4
85.02951	8.6
89.02480	1.9
98.22703	2.3
99.92626	1.3
100.93364	2.5
101.02426	2.0
111.08145	3.3
115.00359	1.7
133.02957	14.4
135.04533	6.8
142.42429	1.2
143.04645	1.5
155.43452	1.2
161.02460	76.8
162.02780	3.5
173.08150	5.0
175.02519	2.6
177.05594	1.5
179.03511	21.6
203.03549	2.0
254.07767	1.3
272.09018	1.6
276.98074	2.1
281.06787	1.5
290.96045	1.3
306.07724	1.6
310.73135	1.1
341.08771	29.1
342.09290	2.8
424.34866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.9
61.98840	43.9
69.43235	11.7
71.01382	9.8
73.02954	2.6
76.67448	2.7
85.02954	27.1
86.03278	3.1
89.02467	12.5
99.92582	3.0
100.93378	3.6
101.02457	6.7
113.02424	4.5
118.93529	2.6
119.03526	4.7
133.02966	15.7
135.04565	7.4
137.06073	3.2
139.04004	5.4
151.10191	2.5
161.02455	100.0
162.02776	5.8
165.05560	14.8
173.08171	3.5
179.03531	17.6
183.06674	8.8
207.06618	2.4
246.07492	2.3
290.95978	3.9
307.80264	2.4
341.08804	42.3
342.09000	3.4
345.12128	4.4
398.24255	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.97016	0.7
61.98832	100.0
69.28701	4.7
69.29007	1.3
82.17266	0.9
83.99609	0.7
85.02970	1.5
107.20135	0.8
275.85236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12490	8.0
59.01382	83.4
59.27264	8.1
61.56562	8.1
64.02650	9.3
70.65480	15.7
71.01392	46.3
73.02952	21.6
78.42757	9.5
85.02947	13.8
89.02457	67.8
97.02957	12.5
99.00896	47.6
101.02446	36.7
113.02432	27.0
119.03517	31.8
121.20998	9.9
135.04535	14.0
143.03503	8.9
155.03436	14.2
161.04549	20.6
166.07536	8.4
179.05603	35.3
181.05066	100.0
199.06111	19.6
223.06213	9.5
250.26282	10.3
258.98788	11.0
361.11337	21.1
369.48444	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	404.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	13.3
59.01381	4.5
70.69485	2.1
71.01376	3.1
74.02480	23.2
82.02988	2.1
85.02448	1.4
85.02962	7.0
86.02489	9.9
86.03291	2.1
86.99117	3.6
87.05654	5.3
89.02436	1.7
90.00214	2.7
97.04100	3.3
99.05645	21.4
101.07217	1.6
102.05644	2.5
109.04070	2.2
109.07682	1.8
111.05679	1.8
112.04072	3.0
116.01821	1.5
123.05669	2.9
127.05135	4.1
128.03551	54.6
129.03920	1.9
131.04659	2.6
135.05676	6.9
137.07193	2.0
141.06740	4.8
143.04630	77.8
144.04967	1.9
145.06207	4.2
146.04628	6.5
153.06757	2.5
160.00755	24.5
164.51788	1.6
166.09892	4.9
167.04637	4.9
177.03447	6.7
179.04607	11.5
185.05759	3.2
197.05737	3.1
210.08839	16.1
254.07805	23.6
255.08116	2.7
272.08893	45.0
273.09207	5.1
288.06564	15.0
306.07684	100.0
307.07962	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	404.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.1
58.02975	4.6
59.01380	51.9
64.64017	3.8
69.55771	16.0
71.01385	29.7
79.18194	3.6
81.78420	3.5
85.02946	52.4
86.03282	12.0
89.02440	18.3
89.82130	3.1
101.02457	8.0
101.06080	27.7
102.05608	10.8
113.02458	9.2
119.03504	7.9
121.02947	5.1
123.04498	3.9
128.03548	10.1
129.01930	6.3
137.27625	3.5
141.05620	30.4
143.04599	16.7
147.02998	7.7
160.00792	8.8
165.05540	8.2
179.05638	5.1
181.08693	12.6
191.02112	8.0
193.31744	3.4
199.09770	100.0
200.10065	6.4
234.13135	3.7
272.08813	5.0
306.07715	15.8
361.15063	53.4
362.15488	5.4
404.12949	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	405.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
56.23317	0.8
57.03454	10.4
59.01384	14.4
61.98829	1.0
63.66015	0.7
66.54728	0.9
68.99836	1.0
70.89520	1.2
71.01407	4.7
72.99325	1.7
73.02928	1.2
75.00871	1.6
82.98560	0.8
83.01400	3.0
84.02158	2.0
85.02957	100.0
86.03297	3.0
87.00901	1.0
89.02462	1.2
93.03465	8.5
101.02453	1.5
103.00375	1.5
109.02969	0.8
109.55853	0.7
111.00870	5.4
115.00370	0.9
129.01959	8.8
139.39215	0.9
147.03012	15.7
161.06117	1.0
169.06587	0.9
173.00946	1.5
179.03542	1.0
191.01971	17.4
192.02463	1.0
213.05537	2.2
226.38979	0.8
230.15808	0.8
380.02521	0.9
381.71481	0.8
400.08719	0.9
401.20056	0.9
405.08298	0.7
405.21506	1.4
428.05112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34142	1.8
56.43154	1.7
59.01385	100.0
68.99821	1.6
69.35887	4.5
69.36275	2.9
70.52071	1.5
71.01386	49.3
73.02973	1.7
83.01403	1.7
83.05021	4.1
85.02956	14.2
87.00830	2.3
87.78336	1.9
89.02456	50.6
93.03460	3.2
95.01424	2.7
97.02950	2.0
99.00884	20.7
101.02453	14.4
104.50047	1.6
113.02469	21.8
115.39173	1.6
119.03518	20.4
119.04986	9.7
121.02969	21.0
122.03742	3.7
123.04495	4.5
125.02412	2.8
127.20000	1.6
128.03526	3.2
131.03534	2.7
135.04527	3.2
137.06139	9.0
139.04036	13.4
143.03537	2.4
143.04596	4.5
161.04546	9.5
161.06061	5.1
165.05586	60.0
179.05638	19.1
183.06664	18.2
201.07692	2.7
207.06584	5.1
216.59721	1.8
237.14352	1.8
247.77141	1.8
252.88786	2.2
306.07651	3.2
307.08105	2.5
345.11655	3.5
351.10431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28997	1.0
59.01385	100.0
61.98836	24.7
65.55434	1.1
68.99834	2.1
69.73749	2.4
69.74100	3.0
71.01379	8.3
74.67860	1.2
75.00835	1.1
85.01937	1.4
85.02962	26.2
89.02461	10.2
92.34148	1.2
97.02969	3.0
98.22279	3.9
101.02481	3.8
104.71730	1.2
111.04519	3.1
113.02459	4.3
115.51898	1.2
118.48558	1.1
119.03540	5.2
121.06615	3.4
122.03750	2.0
125.02454	1.3
127.04097	1.6
137.06110	7.2
139.04031	8.5
143.03503	1.1
161.04547	4.1
165.05573	18.9
171.07230	1.1
179.05653	4.4
182.58620	1.2
183.06657	13.7
194.90755	1.5
207.06770	1.2
219.68222	1.1
226.46672	1.4
345.11813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01719	1.4
56.80979	1.1
59.01383	100.0
60.51318	1.3
68.99815	4.5
69.07850	1.9
69.08255	5.7
71.01389	9.4
85.02959	34.2
89.02457	11.1
95.05006	2.1
101.02458	3.9
113.02457	3.7
119.03526	5.0
121.06609	3.6
122.03755	2.0
129.35570	1.2
137.06094	6.8
138.40285	1.3
139.04012	10.3
143.03494	2.1
161.04588	2.6
165.05582	23.4
170.68483	1.2
179.05627	4.1
183.06630	13.5
417.65607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51875	0.7
57.03455	2.2
59.01384	100.0
60.01718	1.2
61.98839	2.0
69.03470	2.7
69.10771	4.2
71.01393	6.5
73.02982	1.9
74.02474	1.2
85.02986	2.4
89.02453	3.1
89.18315	0.7
89.99874	0.7
95.01398	1.3
95.99043	0.7
99.05678	1.2
101.02458	3.1
113.02467	3.4
119.03554	2.6
131.54112	0.7
139.11305	6.0
143.04649	3.2
161.04588	1.6
177.03400	4.7
181.12415	2.3
183.10283	42.0
184.10718	2.0
197.56656	0.7
198.60313	0.6
210.76129	0.6
225.11356	10.1
243.12361	1.5
289.16580	1.7
345.15942	1.1
362.81326	0.7
405.17508	4.3
406.06476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21210	0.8
59.01382	94.4
59.04862	0.8
60.01727	1.5
65.02908	0.8
69.86726	1.9
69.87073	1.7
71.01369	2.3
85.02969	1.6
89.02438	1.3
94.22971	0.8
99.04495	1.0
101.02437	1.1
107.09380	1.2
113.02462	3.1
139.11316	1.3
161.04681	1.0
165.09227	2.1
183.10280	100.0
184.10646	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.5
59.01384	100.0
60.01723	0.8
64.40943	0.6
69.71089	1.4
69.71479	1.2
71.01387	9.9
73.02955	1.5
75.00884	0.7
83.01405	1.0
85.02957	21.2
89.02442	5.7
90.13268	0.6
93.03481	0.8
95.01432	0.8
95.05051	1.1
99.00903	1.8
101.02458	4.2
102.88496	0.7
111.00928	0.8
113.02485	3.0
113.06160	0.9
115.05212	0.9
117.03498	0.7
119.03544	2.6
119.05021	0.9
121.02974	2.2
121.06620	0.9
123.04615	1.1
125.02505	1.0
125.06122	2.8
128.03554	1.2
129.01952	0.8
133.76619	0.8
135.04567	2.3
137.06119	0.9
139.04065	2.7
147.03081	1.9
148.04106	0.8
154.24693	0.7
155.01724	6.1
157.71663	0.7
161.04602	5.1
161.05881	0.8
165.05612	5.5
179.03589	2.0
179.05711	0.8
183.06734	2.0
183.10289	4.1
191.01953	7.0
199.11252	0.7
199.13495	0.7
235.76202	0.7
251.30057	0.9
317.07211	2.3
318.07336	1.0
345.15839	1.0
405.17603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03433	1.7
58.97248	0.6
59.01384	43.3
69.16990	4.1
70.70312	0.7
71.01387	17.0
72.99316	1.1
73.02953	4.4
81.28053	0.6
83.01389	0.9
85.02962	12.5
87.00900	0.9
89.02448	18.4
95.01410	1.5
99.04539	0.7
101.02457	9.0
111.00883	0.7
113.02456	5.7
119.03523	6.8
129.01971	1.0
147.03009	0.7
161.04668	0.7
163.11287	3.0
179.05559	1.2
181.12366	24.5
182.12708	1.8
191.01973	2.1
198.28978	0.6
207.10152	1.5
225.11342	100.0
226.11676	6.2
243.12335	1.3
405.17706	41.6
405.53250	0.7
406.18134	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91923	0.7
53.64823	0.7
55.01875	1.6
57.03450	14.2
59.01391	8.9
69.57557	3.2
70.52289	0.7
71.01389	4.4
72.26990	0.8
72.99326	1.7
73.02971	1.5
75.00874	1.5
83.01391	2.6
84.02184	1.7
85.02956	100.0
86.03299	1.9
95.93784	0.8
103.00425	1.2
111.00870	4.2
115.00386	1.7
129.01970	9.8
147.03012	11.0
173.00923	2.5
191.01999	37.3
192.02280	1.3
209.03029	2.3
213.14938	2.8
232.98174	0.8
281.17538	0.9
281.53137	0.8
345.17017	0.8
371.13348	0.8
405.17569	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51875	0.7
57.03455	2.2
59.01384	100.0
60.01718	1.2
61.98839	2.0
69.03470	2.7
69.10771	4.2
71.01393	6.5
73.02982	1.9
74.02474	1.2
85.02986	2.4
89.02453	3.1
89.18315	0.7
89.99874	0.7
95.01398	1.3
95.99043	0.7
99.05678	1.2
101.02458	3.1
113.02467	3.4
119.03554	2.6
131.54112	0.7
139.11305	6.0
143.04649	3.2
161.04588	1.6
177.03400	4.7
181.12415	2.3
183.10283	42.0
184.10718	2.0
197.56656	0.7
198.60313	0.6
210.76129	0.6
225.11356	10.1
243.12361	1.5
289.16580	1.7
345.15942	1.1
362.81326	0.7
405.17508	4.3
406.06476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.3
59.34983	23.1
59.51431	18.3
69.32435	19.7
71.30860	20.9
72.69556	21.8
79.52351	18.7
84.56689	17.7
88.98823	100.0
89.02454	76.6
99.93857	20.6
148.39975	20.6
155.07765	19.9
155.82451	20.8
251.38985	21.3
277.21735	31.2
315.19522	72.1
319.98059	22.1
333.19061	25.9
400.36206	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	405.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20397	44.4
59.01365	89.4
61.98833	100.0
69.53093	52.3
71.39127	46.1
98.22324	64.4
123.66852	47.4
165.04025	53.9
214.46051	51.3
238.67905	47.1
422.33792	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	405.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20397	44.4
59.01365	89.4
61.98833	100.0
69.53093	52.3
71.39127	46.1
98.22324	64.4
123.66852	47.4
165.04025	53.9
214.46051	51.3
238.67905	47.1
422.33792	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	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
58.02964	0.9
59.01394	3.2
61.13500	0.5
63.81595	0.6
69.03437	0.6
70.07554	1.5
71.01393	0.6
71.05020	0.9
83.05019	0.8
87.05040	0.6
93.74893	0.6
95.05026	0.8
97.06578	1.0
107.05031	0.7
109.04149	1.0
109.06598	1.1
111.08174	0.7
123.08212	0.6
123.73013	0.6
127.05139	4.9
128.03577	1.0
135.08180	1.0
137.09767	0.7
145.06198	2.9
203.14311	0.8
205.15994	0.7
205.95683	0.6
211.13371	1.0
213.14949	2.3
231.17590	0.7
239.16591	1.8
241.18105	1.4
267.19916	0.6
268.66177	0.7
315.26953	2.7
317.28549	0.8
325.25452	5.1
326.25888	0.7
333.28091	0.9
341.24899	1.7
343.26538	4.6
351.23376	1.4
359.25970	3.3
361.27554	2.6
369.24237	3.7
377.26862	2.0
387.25458	11.7
388.25784	1.3
405.26511	100.0
406.26810	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	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11028	0.9
59.01376	2.7
61.98830	4.0
65.94971	0.7
69.03080	5.4
71.01383	0.9
71.05028	0.9
83.05031	1.4
84.60545	0.7
94.01777	0.8
97.06594	0.8
106.04375	0.7
107.05039	1.2
111.08119	0.8
123.08156	0.8
135.08170	2.1
152.99619	1.1
168.45163	0.8
203.09743	0.8
211.13329	1.3
211.17052	0.9
213.14886	1.0
231.17645	1.1
239.16606	3.7
241.18141	3.7
242.18414	0.9
247.16876	0.8
253.18231	1.6
253.97990	0.8
267.19772	1.6
275.20068	0.8
315.27023	2.5
317.28625	1.0
325.25391	5.4
333.28064	2.5
341.24792	2.7
343.26453	5.7
351.23016	0.9
359.25940	3.9
361.27585	6.4
369.24268	4.3
387.25424	11.7
388.25784	1.4
405.26465	100.0
406.26849	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	406.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00557	2.8
58.07084	2.8
59.01385	37.4
69.11092	9.0
69.11504	12.6
71.01384	6.8
85.02960	13.0
96.96046	4.7
97.02972	13.8
99.00883	10.0
111.04536	4.9
114.16277	3.0
132.00507	2.8
135.04533	6.5
151.34062	3.2
154.45935	3.4
163.07666	3.9
164.20551	3.3
165.09300	3.1
226.50931	3.6
229.99529	3.1
253.12384	4.7
268.14606	18.2
271.13385	63.8
271.72235	3.6
272.13776	6.4
283.17096	8.5
286.15875	4.2
301.18112	100.0
302.18430	15.5
345.17090	10.0
346.17630	5.6
363.18130	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	406.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15795	2.7
55.01886	3.1
56.06860	2.4
57.03456	14.9
58.03766	2.5
59.01381	28.7
69.12516	15.2
71.01386	3.2
76.37588	2.3
77.72538	2.1
83.01387	10.2
84.02206	2.8
85.02952	100.0
86.03284	27.9
96.96046	3.5
101.02465	4.4
111.00855	3.9
111.04540	9.0
129.01952	7.5
145.02950	3.0
147.02992	10.3
148.03351	2.8
149.09679	2.9
151.07603	2.4
191.02048	24.3
192.02310	10.7
219.10175	4.2
231.13994	3.3
247.13347	6.1
249.14821	12.3
261.14725	2.8
283.17114	2.8
301.18134	4.2
316.13107	10.0
345.17014	34.0
346.17471	6.9
363.18002	5.4
366.83426	3.3
385.13919	2.6
406.18005	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	406.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
65.99680	1.2
66.03493	2.3
69.22115	4.4
69.22518	2.9
71.05022	2.7
73.02920	1.6
76.53455	1.1
80.05064	4.5
82.03008	3.4
84.04538	1.5
85.02964	2.0
93.85324	1.7
95.05027	6.6
96.04565	3.7
97.06609	7.7
108.04571	28.2
122.03770	2.1
124.04059	7.8
126.05624	85.1
127.05991	2.0
128.07199	1.4
149.09756	1.5
150.06776	1.8
151.07686	10.9
154.08759	3.2
159.02994	2.0
163.07664	1.5
165.09293	2.9
177.09236	2.1
180.99568	2.0
201.09195	1.6
202.10016	1.5
205.15881	1.6
207.13927	1.7
215.10738	7.2
216.11496	2.4
219.10260	26.8
220.11012	7.6
221.11835	11.0
231.13922	33.6
232.14116	2.9
233.11845	3.5
234.12650	22.0
235.13019	2.7
246.12599	2.3
247.13351	3.0
249.14975	100.0
250.15286	8.9
261.15024	15.9
279.16037	5.6
359.17377	7.0
373.19086	7.5
388.21320	16.9
389.21417	3.1
404.72406	1.6
406.22461	2.4
407.52274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29686	0.7
59.01384	5.5
62.31557	0.8
68.64947	0.7
69.17407	4.7
71.01402	1.5
73.50668	0.7
74.99075	0.8
79.17561	0.7
87.96770	0.8
95.52969	0.8
95.75124	0.7
96.96015	2.9
99.00855	0.8
107.05042	3.0
109.02970	0.8
116.99261	0.7
117.03450	8.4
123.08251	0.7
127.04015	1.0
127.94435	0.7
135.08195	1.5
146.84038	0.9
153.01950	1.2
154.04266	3.7
161.02451	1.5
161.06123	1.7
165.01930	0.8
165.03510	0.7
178.99921	2.6
179.03493	1.8
182.03787	0.7
185.02515	0.9
194.03542	0.7
198.03246	2.5
201.77477	0.8
210.03278	1.0
211.07501	0.8
217.12344	1.0
226.02701	14.2
227.10754	7.0
245.11926	2.1
247.13234	1.0
254.02164	4.4
258.01764	2.1
269.04587	11.5
270.04755	1.3
283.06152	1.0
297.04059	100.0
298.04364	12.0
312.06403	12.4
313.06732	1.8
327.08746	97.7
328.09039	10.6
329.59006	0.8
407.04370	15.5
407.16974	2.3
407.21417	1.2
408.04617	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	407.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91349	1.0
59.01384	100.0
69.42654	5.5
71.01381	4.2
81.03464	2.0
83.01399	2.5
83.05034	3.6
85.02956	2.7
89.02457	6.5
96.34395	1.3
96.60088	1.0
101.02467	2.0
102.18916	0.9
108.64770	1.1
109.02954	1.9
113.02464	2.4
114.24798	1.2
119.03475	1.9
121.06587	6.4
123.04502	2.6
127.03161	1.6
127.04022	23.0
149.06091	9.9
161.04567	4.2
167.07146	24.2
179.05629	2.4
185.08165	2.4
198.00247	1.2
232.00980	1.0
271.91885	1.2
347.13504	8.1
352.17377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22338	1.1
51.76458	1.0
57.57194	1.3
59.01385	100.0
65.74742	1.0
70.73713	1.5
71.01385	7.1
80.40710	1.1
81.03498	2.0
83.01372	1.2
83.05022	2.5
85.02968	2.6
89.02457	3.9
89.81779	1.1
101.02441	2.3
107.05039	1.8
109.02956	2.1
113.02442	1.7
116.79522	1.2
119.03558	2.1
119.04974	1.5
121.05865	1.4
121.06534	6.6
123.04570	1.8
127.04020	22.7
149.06078	9.7
161.04582	3.8
167.07156	27.7
167.92738	1.2
168.07487	1.5
179.05585	1.4
185.08208	2.3
194.55954	1.2
206.52821	1.2
249.09274	1.2
347.13452	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	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13588	0.9
57.03445	2.4
57.90245	0.7
59.01382	100.0
60.01712	1.2
61.05851	0.8
69.03470	1.1
69.63523	1.5
69.63905	1.5
71.01383	7.5
72.99314	2.2
81.03459	3.2
83.01411	1.0
85.02958	20.3
89.02449	9.3
95.05013	1.1
97.02950	4.8
97.06562	1.3
98.22594	1.1
99.04517	9.2
101.02457	3.9
113.02452	3.4
119.03513	3.0
123.04536	17.6
125.06102	1.2
127.03987	1.3
135.70313	0.9
141.01753	3.7
141.05592	37.0
142.05949	1.4
143.03571	0.8
147.02985	1.9
149.06094	3.2
154.99617	1.3
161.04538	2.5
167.07150	11.3
168.07518	1.1
179.05573	3.9
185.08189	41.2
186.08530	1.8
191.01988	8.0
213.00160	3.5
228.38235	1.1
231.01234	6.5
253.26782	0.8
347.13416	8.8
374.07254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.63600	0.9
57.03450	4.4
59.01382	100.0
60.01706	1.2
65.72475	0.8
69.03446	1.0
70.90627	0.9
71.01387	8.3
72.99313	2.8
75.00874	1.6
81.03458	2.7
83.01365	1.3
85.02954	32.4
89.02449	8.3
97.02940	5.7
97.06595	2.1
99.04530	10.0
101.02457	3.2
111.00883	1.6
113.02469	3.7
115.00372	1.1
119.03489	3.4
121.06603	1.4
123.04535	17.1
127.03985	2.9
133.01418	1.5
134.03796	1.2
141.01706	4.6
141.05592	36.7
142.05937	1.4
147.02992	4.3
149.06084	3.8
154.99615	2.0
161.04546	2.8
167.05850	0.9
167.07166	13.0
173.00771	1.1
179.05682	4.9
179.07010	1.0
185.08199	41.4
186.08531	2.0
191.01982	13.1
213.00182	6.2
223.09001	0.9
231.01253	10.3
323.11041	1.1
333.19067	1.1
347.13474	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	407.1717
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
50.78238	1.0
51.72861	0.9
59.01387	19.0
60.28421	1.4
66.61359	1.1
71.01385	8.5
71.39640	1.6
73.02960	1.6
81.03493	1.0
81.61084	1.0
83.05035	1.0
85.02958	2.3
89.02450	6.3
93.03491	2.6
96.19853	1.0
96.96029	4.7
97.06621	1.1
101.02451	4.3
102.64741	1.0
105.64848	1.1
107.05037	33.5
109.02955	10.1
113.02466	3.8
117.41483	1.1
119.03526	2.6
120.05866	1.7
133.06592	5.4
135.08186	13.1
145.06616	1.1
161.06088	24.1
162.06433	1.3
179.03394	1.4
183.11790	1.3
185.09732	2.3
189.05565	7.1
197.09717	2.1
207.41606	1.1
209.09755	7.7
211.07610	5.5
212.08569	5.0
212.67534	1.2
217.12340	18.3
227.10799	100.0
228.11079	9.7
245.11858	44.8
246.12218	3.9
249.05777	2.6
371.31601	1.2
407.17380	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01718	1.2
64.25509	0.7
69.35058	2.4
71.01376	3.5
73.02946	1.0
85.02988	1.9
89.02463	2.1
100.34557	0.7
101.02461	3.2
113.02472	1.1
119.03479	0.9
134.03769	1.0
137.14191	0.7
140.60089	0.7
159.03021	1.6
161.04575	1.6
171.10312	1.0
195.06705	2.2
238.19690	0.7
259.07187	0.8
285.92062	0.7
347.17502	3.6
363.03986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03461	0.6
58.60783	0.4
59.01384	100.0
60.01715	1.2
65.97457	0.5
70.34325	0.9
71.01383	7.0
73.02978	2.0
73.04075	1.1
83.01411	1.2
85.02953	5.7
89.02453	4.8
95.01437	0.5
99.00899	0.7
101.02460	6.8
105.34401	0.5
113.02444	3.1
119.03531	2.7
129.01945	0.7
133.74028	0.5
137.09760	0.5
149.06255	0.6
155.10788	1.0
159.03050	1.9
161.04573	4.5
169.26833	0.5
171.10352	0.6
172.10944	2.2
179.05612	0.9
185.11920	1.4
193.76997	0.5
229.13097	0.7
259.07336	0.8
287.10413	1.4
313.08408	2.1
347.17108	14.5
347.21262	0.8
348.17880	1.2
407.11163	1.7
407.19238	4.5
414.65213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43681	0.6
59.01384	100.0
60.01719	0.8
69.03442	0.6
69.54242	2.5
71.01388	1.4
71.08068	0.6
85.02954	0.9
85.41180	0.7
89.02470	1.3
98.21867	1.2
101.02457	0.9
104.15966	0.6
106.50519	0.7
113.02473	1.8
119.03546	0.8
139.11301	0.9
141.12880	0.8
171.10303	2.5
185.11845	82.6
186.12161	4.8
203.84698	0.7
209.11845	0.8
221.06718	0.7
227.12952	1.0
407.19235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69727	0.5
55.01875	1.8
57.03454	13.3
58.32389	0.5
59.01385	13.0
67.25083	0.4
71.01377	4.5
72.99333	1.3
73.02933	1.2
75.00881	1.5
83.01406	2.2
84.02164	2.0
85.02959	100.0
86.03304	2.4
87.00891	1.5
89.02460	0.7
99.00906	1.9
101.02475	0.6
103.00395	2.2
107.42949	0.4
109.02959	0.8
111.00886	4.3
115.00411	0.7
129.01952	9.6
146.64626	0.5
147.03011	11.5
147.04121	0.7
148.98827	0.5
173.00912	1.9
191.01987	37.8
192.00696	0.5
192.02325	2.0
199.08936	0.5
209.03041	1.9
215.16498	2.7
221.65581	0.5
226.02809	0.6
283.19327	0.7
297.04044	3.0
327.08759	3.4
328.09027	0.5
347.18448	0.7
407.19354	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2078
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
51.73496	1.3
59.01385	100.0
60.01709	1.5
67.01904	4.6
70.54410	2.2
70.54757	1.6
71.01381	18.9
71.05026	10.6
72.01822	1.3
76.96735	1.1
81.38100	1.4
82.96812	1.4
95.05029	9.5
107.05036	2.1
123.08206	5.2
125.95628	1.2
126.71910	1.3
136.05354	1.4
139.04025	9.7
139.04967	1.4
149.09789	3.0
151.07713	11.9
151.11311	94.1
152.11650	6.2
153.12865	17.5
154.13271	1.7
195.10207	2.2
213.16415	1.3
219.14037	2.3
223.09874	1.7
225.14983	21.0
257.15494	26.6
258.15845	2.1
275.16559	6.0
329.17578	2.6
338.95828	1.5
347.18658	90.3
348.19052	13.5
365.19229	1.6
407.20819	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	407.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28450	1.0
52.19702	1.0
53.70076	1.0
59.01384	100.0
60.01714	1.3
69.03468	1.2
70.06518	2.4
71.01385	23.3
72.01701	1.3
75.00898	2.6
82.07261	1.0
83.01379	6.2
97.02953	7.1
137.09718	2.0
171.10280	2.4
177.12846	6.7
189.97943	1.1
191.14404	15.5
201.12875	2.5
213.12839	4.7
231.13898	4.5
239.14325	2.0
241.12402	2.8
242.13141	21.0
243.13481	2.3
257.15509	9.1
261.62558	1.1
269.07040	4.1
275.16547	76.5
276.16901	6.5
283.08597	1.7
309.20648	4.3
347.18671	84.6
348.19049	11.6
365.19580	2.4
389.16089	1.3
397.09171	1.3
407.21176	11.9
408.21042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
61.98865	1.5
71.01388	57.1
93.74762	1.5
102.80622	1.7
102.87018	1.5
111.08176	3.2
115.00391	14.3
125.09728	4.2
127.11323	2.2
141.48436	1.7
142.28491	1.9
175.72130	1.9
179.10892	1.8
195.13898	3.2
211.06038	3.2
247.20663	6.0
263.20251	4.8
264.54617	1.9
273.18686	6.6
291.19693	100.0
292.20007	10.3
329.05396	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	407.2078
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
56.85801	1.3
58.18394	1.2
59.01382	67.6
63.71217	1.0
67.01907	8.3
69.48978	2.3
69.49370	2.8
71.01385	29.7
71.05025	9.3
73.02949	4.1
74.62184	1.0
80.02663	1.2
85.02968	1.7
85.37721	1.3
93.03488	2.9
95.05029	23.6
95.64923	1.2
109.06551	1.6
122.03742	1.5
123.08155	2.2
127.07626	2.0
136.05295	3.5
137.06160	1.6
137.09756	1.2
139.04036	5.7
141.09212	6.2
146.64839	1.3
149.06056	1.6
151.07681	14.9
151.11305	3.5
153.12906	2.4
161.09721	1.4
163.07672	1.7
165.09201	2.5
172.98625	1.4
181.16014	5.2
183.10294	1.5
189.12796	1.3
194.13103	1.4
199.68047	1.2
205.08734	5.0
217.12465	2.1
223.09769	100.0
224.10042	7.0
225.14948	10.6
232.11000	4.5
233.43620	1.5
242.13188	1.1
257.15500	9.7
258.15665	1.5
275.16559	10.4
276.17007	1.2
285.18588	3.2
288.62045	1.4
293.50650	1.3
303.19745	7.7
305.14273	1.6
329.17599	7.0
347.18661	55.4
348.18991	5.4
365.19693	2.2
407.20810	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98811	1.5
69.26472	3.6
71.01389	45.9
72.01719	1.2
73.73235	0.7
75.00865	0.9
79.99222	0.6
95.05012	0.7
97.02961	3.0
97.06591	0.6
115.00399	12.7
133.01416	2.1
133.02348	0.6
142.99767	0.6
144.49651	0.7
150.10535	0.6
163.11317	1.1
165.12854	16.3
166.13347	0.9
166.96400	0.7
176.12135	0.6
191.14465	0.7
204.33736	0.6
247.20714	10.7
248.21017	1.2
269.07141	0.7
273.16080	0.7
273.18729	4.1
283.08563	0.7
291.19693	100.0
292.20023	10.1
309.10126	1.7
309.20679	2.3
389.16699	0.7
407.17599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.0
59.01367	2.1
61.98306	0.6
61.98840	0.9
64.54263	0.7
67.64590	0.8
71.01385	49.4
78.65495	0.6
83.05013	1.0
83.21530	0.6
85.84518	0.6
89.14080	0.7
95.53553	0.6
97.06612	1.8
99.92594	2.5
100.93382	0.9
115.00386	13.7
115.92071	1.4
116.92852	5.0
119.45711	0.7
119.90413	0.7
121.10252	9.6
122.10548	0.8
125.09734	5.0
133.01427	1.1
141.12849	1.1
148.68640	0.7
168.34689	0.6
175.89172	0.8
180.42551	0.7
185.11847	9.6
197.11792	2.7
202.50261	0.6
209.11841	1.6
211.13419	1.2
218.76772	0.7
223.13597	0.7
236.19881	0.7
247.13538	0.9
249.18645	1.0
275.16489	1.0
291.19669	100.0
292.20035	9.8
293.17575	2.1
309.49841	0.7
315.15747	1.7
325.20245	2.8
347.18365	2.1
407.11768	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	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	73.3
61.98849	22.2
70.11961	25.9
70.12279	25.0
86.67699	19.4
98.21950	21.3
99.86974	19.8
101.02447	20.1
132.81229	19.2
173.06079	48.7
181.07535	18.9
245.15576	21.5
279.10233	88.2
279.13123	17.8
281.11740	100.0
300.13806	26.9
329.17557	45.8
407.15024	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	407.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
69.14997	6.8
78.95911	10.3
79.03858	1.0
90.15486	1.0
110.98563	7.1
110.99220	1.1
148.32436	1.0
167.01193	7.6
170.41937	1.1
185.02248	2.6
212.65251	1.2
221.19128	1.5
239.20186	100.0
240.20564	8.2
287.99747	1.1
310.54926	1.2
342.00787	1.1
407.22101	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	407.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.7
61.00429	1.8
70.35133	1.0
71.19610	1.3
78.95925	5.9
85.04086	14.2
129.04204	100.0
129.05652	3.1
130.04575	1.5
142.66928	1.1
152.01944	1.2
152.99593	5.6
171.00639	2.0
183.01115	1.7
210.94334	1.2
277.21735	31.9
278.22153	4.2
321.27881	1.3
325.18365	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	408.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.6
60.01720	5.4
61.01799	4.6
61.98837	100.0
65.26347	1.5
70.65574	2.8
71.01378	2.3
85.02951	6.0
86.03300	4.1
89.02463	3.1
91.02859	1.9
92.93773	1.4
108.05196	1.6
119.03465	1.6
138.06432	1.8
139.04065	1.7
165.05464	2.5
166.05933	1.9
290.95703	1.5
361.89749	1.7
375.62180	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	408.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74753	1.6
59.01383	14.5
60.01711	3.0
61.01803	2.2
61.98833	100.0
67.13514	1.5
71.01414	2.1
83.46230	1.6
85.02944	2.9
86.03300	1.8
93.68745	1.7
98.22714	2.9
201.94412	1.6
227.78976	1.4
256.50812	1.7
288.05072	1.6
386.23022	1.6
398.22522	1.9
400.43796	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	408.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86488	2.2
53.99158	2.4
55.05387	2.3
57.03468	2.5
59.01386	90.4
59.04608	2.2
59.39391	2.1
60.01722	15.6
60.01993	2.2
61.01823	5.0
61.50933	2.2
61.98834	100.0
70.52897	4.8
71.01408	6.1
72.99299	5.9
73.46775	2.5
81.23692	3.4
85.02966	12.0
86.03299	5.1
89.02485	6.1
97.03008	3.3
97.88702	2.6
113.02512	3.0
123.04491	4.6
124.04906	4.4
127.04026	10.3
128.04318	6.3
134.03781	4.6
149.06097	4.2
150.06526	2.6
167.07158	16.8
168.07497	12.2
185.08162	4.7
186.08589	3.1
191.01968	5.9
192.02371	3.2
193.05154	3.4
214.00568	2.6
273.43933	2.4
348.13730	7.4
363.12708	3.2
412.35638	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	408.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.2
60.01722	6.7
61.01794	2.2
61.98835	100.0
69.08615	11.7
71.01368	2.9
98.22778	3.2
99.00902	3.0
100.84759	1.6
101.02454	2.0
107.05058	1.9
111.00836	2.0
120.41538	2.0
123.04473	2.3
139.07715	2.2
148.72260	1.9
161.02432	2.4
161.09650	2.0
171.10278	6.0
172.10617	2.6
178.89748	1.8
183.10176	4.2
184.10646	3.5
185.10788	3.2
190.82849	1.9
195.06651	13.5
196.06946	8.1
206.44727	2.0
275.09366	4.5
315.03970	2.2
320.15894	4.5
347.14856	2.8
348.15448	8.8
349.16251	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	408.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
59.01384	100.0
60.01719	11.7
61.01801	2.7
61.98836	20.2
69.03448	1.6
69.87177	2.5
71.01384	6.6
72.99312	3.0
76.34930	1.4
77.25891	1.3
81.03478	2.4
83.05024	3.7
85.02955	11.8
86.03291	2.3
87.00881	1.2
89.02464	4.0
89.68228	1.2
96.96030	2.4
97.02948	6.3
98.03294	1.7
98.22583	2.1
99.00917	1.5
101.02422	1.8
119.03515	1.4
121.06570	2.3
122.06934	3.0
123.04512	4.7
124.04890	2.3
127.04018	12.2
128.04359	4.6
134.04727	3.1
147.02988	1.6
149.06059	3.8
150.06415	2.9
161.04567	2.8
167.07158	13.8
168.07498	13.0
185.08270	6.3
186.08545	5.6
191.01997	3.6
216.03796	1.3
348.07825	3.2
348.13855	7.0
349.13989	1.8
363.13043	2.2
412.27408	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	409.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01385	9.9
60.01714	0.4
61.98824	0.9
69.11014	1.7
71.01383	3.7
72.99307	0.8
73.02943	0.9
79.95745	3.8
80.96537	3.1
83.01401	0.4
85.02959	3.5
87.00894	1.3
89.02457	1.2
96.96019	100.0
99.00878	0.7
101.02446	1.3
103.92057	0.4
105.99708	0.3
108.02180	1.0
113.02473	1.2
122.97566	0.6
123.04543	0.4
125.02428	0.5
129.05580	0.5
133.02914	0.3
135.04491	0.7
138.97090	8.7
143.03502	1.1
145.96719	0.4
147.03090	0.4
150.97070	1.3
151.07643	0.5
152.01152	2.8
156.99066	0.4
161.04613	0.7
164.98634	0.9
167.03490	2.6
168.98161	0.7
169.08606	0.3
179.05659	0.5
180.98145	0.7
191.01918	0.5
202.99060	0.3
222.99197	1.9
234.99300	0.6
241.00250	44.5
242.00499	1.8
246.98657	1.2
303.01822	0.4
349.14941	1.2
409.04468	29.1
410.04813	2.7
423.62720	0.4
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
50.77657	0.8
51.59711	0.9
57.03453	3.1
59.01383	44.2
61.24883	0.9
69.03442	1.2
70.00518	1.2
70.00845	2.8
71.01389	21.0
72.99300	1.3
73.02954	20.2
82.23881	1.0
83.01400	4.7
85.02954	20.9
89.02451	8.7
95.01408	2.0
96.95998	1.8
97.23059	1.0
98.21943	1.5
98.95615	1.4
101.02459	16.2
107.05033	8.0
109.02993	1.6
113.02459	9.5
119.03514	2.3
120.05795	3.0
131.03458	1.8
133.06589	4.4
135.08176	24.5
145.06613	3.6
156.61871	1.1
159.08165	8.1
161.02411	1.4
161.04570	1.5
161.06088	2.5
161.09735	5.0
162.06871	3.6
163.07550	1.1
175.93547	1.0
177.09221	100.0
178.09503	7.1
178.57788	1.0
187.07686	4.2
205.08707	97.2
206.09111	6.1
209.67201	1.1
215.10838	1.0
226.25523	1.1
229.12244	1.0
247.13443	1.2
325.08353	1.1
409.18561	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	409.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19835	4.0
59.01381	12.3
60.00369	4.0
60.00684	4.0
61.54486	3.7
61.98835	100.0
69.28304	20.6
69.28678	5.9
71.01394	25.1
80.91666	4.2
96.96040	4.6
98.21926	9.0
115.00378	13.1
121.02937	4.2
128.66772	4.0
133.01445	7.9
133.02979	12.2
134.03766	30.3
135.04498	7.7
138.94183	4.0
177.01961	14.8
178.02718	16.1
179.03439	7.6
183.13956	5.6
196.06133	4.0
197.02220	6.1
211.13426	96.5
212.13782	7.9
238.08270	8.3
265.28723	4.5
275.09247	12.2
293.10318	18.5
399.00192	4.7
410.13507	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	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.7
57.03452	6.2
59.01384	65.9
69.03446	2.9
71.01389	100.0
71.85012	1.0
72.99306	1.5
73.02952	31.6
73.27885	0.9
75.00882	2.2
81.03470	1.1
83.01392	13.2
85.02957	44.1
86.00097	9.5
86.03301	1.6
87.00883	22.4
87.04507	3.1
89.02454	33.1
95.01389	7.0
97.02962	4.7
98.21909	3.1
99.00883	10.4
101.02452	65.8
105.02514	0.8
111.00855	2.1
113.02457	38.8
114.02783	1.1
115.04034	1.2
115.07634	2.7
119.03513	4.8
125.02483	7.1
129.01982	4.4
131.03508	6.6
139.01753	0.9
141.01991	1.3
143.03542	6.8
149.04575	6.5
159.03014	8.8
161.04575	70.2
162.04893	1.8
175.89995	0.9
179.05580	1.7
187.09778	32.1
188.10132	1.1
191.05643	2.2
233.06572	1.7
235.11858	3.2
237.60768	0.9
277.12936	88.6
278.13290	7.0
293.08856	1.3
367.16214	1.7
409.12073	1.2
409.17191	13.6
434.87329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01385	100.0
60.27722	2.3
61.52420	2.5
69.03470	3.3
69.27525	13.7
71.01387	33.9
73.02946	8.7
75.00879	4.6
83.01402	7.6
83.05058	3.3
85.02969	8.6
86.00114	8.7
87.00908	5.5
87.04540	7.8
95.01398	3.4
96.96023	4.8
97.02999	3.6
99.00900	7.5
99.04569	2.4
101.02468	13.2
109.02946	2.7
111.00865	3.5
113.02431	15.0
115.00375	10.3
121.06626	6.7
129.01939	4.8
130.06725	2.4
133.01428	5.5
133.02962	7.7
134.03754	21.9
135.04532	8.9
137.06134	2.1
137.09738	80.9
138.10103	2.7
139.04057	8.2
141.01953	6.6
141.51418	2.3
149.09697	2.7
150.52155	2.4
161.02454	17.0
177.01979	5.7
178.02762	11.8
179.03564	9.1
181.05115	2.6
189.12825	4.7
203.10776	9.1
205.12329	4.0
207.13908	11.4
213.15002	6.5
221.11850	12.6
231.13869	3.7
259.13354	17.3
265.14423	6.3
275.09128	3.4
277.14438	8.4
287.12952	3.1
293.10410	15.4
331.15469	3.8
384.76071	2.6
409.14343	4.9
410.19229	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	409.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03451	1.6
59.01386	9.7
61.98832	1.2
67.01902	8.2
70.20885	1.3
71.01378	3.9
73.02953	11.2
81.03461	27.7
84.61543	1.2
85.02954	2.0
85.06610	1.2
85.68182	1.1
89.02449	1.3
95.05042	2.0
96.96014	6.7
97.06602	3.0
99.00832	2.3
99.04537	6.6
99.87720	0.9
101.02457	1.0
109.06595	2.6
111.00887	13.9
115.00377	1.7
121.06627	4.3
123.04529	1.1
123.08132	1.1
125.02457	100.0
126.02791	3.0
133.01436	3.5
133.06586	1.1
134.03761	1.0
135.04543	3.3
137.06082	4.0
137.09700	1.1
143.03539	8.7
149.06096	5.7
149.09721	1.3
150.06815	2.5
151.07668	1.2
151.11272	1.6
157.05078	5.8
159.00894	1.0
161.02431	1.6
163.07603	1.8
165.09248	5.5
175.07704	1.2
179.10892	1.2
180.93163	0.9
181.08704	8.8
187.07639	1.2
193.08691	3.1
194.77608	0.8
204.08008	1.0
205.08701	1.0
207.13948	4.9
219.10286	1.4
226.10045	2.7
227.10870	1.2
231.10364	1.2
231.13863	1.2
232.10953	1.4
233.11761	1.9
235.13396	15.4
236.13771	1.3
241.12431	2.6
243.10345	1.0
247.13258	1.8
251.12814	2.0
258.12534	2.8
259.13354	5.9
261.14954	1.1
271.17007	3.9
273.14941	5.5
275.09250	1.3
285.11404	1.8
286.12067	2.6
287.16443	1.4
297.15018	5.3
299.12646	1.1
300.13675	1.9
303.12381	2.0
303.15836	1.2
315.16025	27.7
316.16461	1.9
317.13867	4.9
318.14685	12.5
319.15161	1.5
329.17480	1.5
333.16843	2.3
335.15094	1.3
347.14807	1.6
347.18661	15.6
348.18936	1.9
359.15054	10.6
360.15283	1.6
373.16199	0.9
377.15912	3.1
391.17639	9.5
392.18109	1.3
409.18799	10.5
414.73071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.0
59.01384	100.0
60.35960	1.3
61.98830	4.1
69.03467	2.5
71.01383	18.8
71.42100	1.7
72.99319	1.8
73.02959	4.0
75.00887	8.3
83.01385	4.6
85.02956	7.1
86.00115	4.5
88.98781	2.5
89.02975	1.6
95.01392	6.5
96.95988	2.1
97.02945	2.6
99.00891	3.5
101.02451	5.2
103.00388	1.5
109.06592	2.0
111.00887	1.9
111.04499	1.8
113.02483	8.1
115.00400	2.0
125.02449	2.3
133.01462	1.7
133.02921	3.6
134.03789	10.7
135.04536	4.3
137.09732	5.2
139.04089	2.0
141.01964	16.8
151.11298	25.2
152.04735	2.0
161.02437	5.1
161.09731	5.1
163.11195	2.3
165.12802	2.6
178.02719	4.0
179.03531	2.6
182.77820	1.5
191.10896	1.8
191.14380	2.7
192.11571	1.9
193.12306	2.1
201.13043	1.6
203.10878	2.5
207.13936	21.7
208.14320	2.7
219.13919	3.2
221.11833	22.3
222.12125	2.1
231.13843	1.6
231.17494	1.7
233.11906	1.6
247.13394	5.6
249.14948	7.2
253.14391	1.7
259.13394	4.0
265.14456	12.4
270.33994	1.4
277.14536	13.8
285.14883	2.3
291.16089	4.6
293.10257	7.0
303.16107	7.6
304.16165	2.0
331.15594	3.0
349.16272	1.7
408.64343	2.2
409.18646	4.1
410.13467	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57066	0.6
59.01384	100.0
60.01719	1.2
61.98835	1.9
65.17939	0.5
67.13882	0.6
69.84794	0.5
73.02955	0.6
85.02971	1.3
98.21889	1.3
99.00836	0.7
111.00881	0.6
116.15695	0.6
137.02455	1.3
139.71852	0.6
191.27734	0.6
195.06691	2.4
210.17813	0.6
275.09314	1.4
307.17737	1.7
349.16412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.7
71.01397	2.8
73.02953	1.9
82.77393	0.8
83.01424	0.9
85.02979	3.1
89.02452	1.1
93.03479	1.0
98.21909	2.1
99.00903	1.1
101.02484	2.7
111.00948	1.1
113.02461	1.4
118.74560	0.8
122.11459	0.7
122.93785	0.8
123.04568	1.0
133.02991	1.1
134.81935	0.7
135.04573	2.7
149.09744	0.8
159.03081	1.6
161.02464	1.6
179.03477	1.7
187.07817	0.7
191.02058	1.0
196.02510	0.7
247.09958	1.2
409.10782	1.2
409.15506	1.4
409.19730	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22705	0.8
59.01384	100.0
60.01700	1.3
64.56661	0.8
69.80036	2.1
71.01385	20.2
74.95437	0.8
81.03472	1.6
83.01398	1.1
84.32616	0.9
85.02946	7.6
87.00886	1.4
89.02454	26.9
95.01381	1.3
101.02449	8.9
113.02466	11.0
116.92877	1.2
119.03522	13.6
131.03488	1.3
143.03514	2.5
145.02669	0.9
149.04584	1.5
161.04520	4.8
163.03787	22.1
163.11264	1.6
179.05621	9.9
187.07431	2.7
207.10297	3.3
229.08453	7.1
230.08717	1.1
239.05580	1.6
241.96011	0.8
247.09525	15.3
248.09921	1.1
289.10663	5.9
329.64072	0.9
349.18719	2.4
374.80136	0.9
409.15082	15.2
409.20401	1.9
410.15253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	1.0
61.98828	1.8
62.30841	0.6
69.40218	2.8
71.01391	4.0
73.02959	1.2
79.73248	0.5
85.02956	1.5
89.02449	0.9
94.91949	0.6
96.96017	3.0
101.02467	1.8
113.02494	2.4
139.40393	0.5
141.12871	1.1
161.02588	0.7
161.04530	1.5
187.13409	51.2
188.13831	2.2
201.15004	0.8
229.14394	0.6
251.01935	0.6
277.16183	0.6
289.16891	0.7
307.17648	3.7
336.84460	0.6
349.18796	1.8
409.19141	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
56.74737	0.7
59.01384	100.0
60.01712	1.9
61.98833	3.2
71.01379	5.2
71.34069	1.1
78.25462	0.9
85.02946	1.3
89.02419	1.1
93.69057	0.8
96.96027	6.5
101.02483	2.2
108.02178	0.8
113.02470	3.1
119.03522	0.9
129.01968	0.9
141.12878	1.1
151.16209	0.7
152.01237	1.2
187.13411	63.7
188.13805	3.3
201.15013	2.2
223.82710	0.8
271.54059	0.9
307.17636	2.6
361.74249	0.9
409.19110	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85200	0.5
59.01384	100.0
60.01724	0.8
63.08824	0.6
69.65014	2.0
70.53544	0.5
71.01385	3.9
73.02962	2.0
81.41309	0.5
85.02963	3.4
89.02448	0.7
96.96021	6.7
99.00908	0.8
101.02452	3.6
113.02493	2.3
121.69633	0.6
135.84198	0.5
151.69888	0.5
161.04617	2.2
161.05873	0.5
164.07188	0.5
177.09329	0.6
205.05074	0.9
229.12199	0.5
262.89398	0.6
307.17657	5.5
313.68024	0.6
349.18768	1.1
409.14572	0.8
409.18915	2.8
432.56918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92689	0.5
55.01881	0.7
59.01385	100.0
60.01729	0.9
60.94415	0.7
69.63612	2.1
71.01389	4.1
73.02929	1.2
85.02970	2.5
88.74609	0.5
95.05022	0.8
96.96024	6.3
101.02435	2.7
113.02474	2.0
118.89571	0.6
134.12271	0.5
161.04599	1.8
161.05962	0.7
169.18904	0.5
173.03842	0.6
177.09230	0.8
179.03619	0.7
203.10817	1.1
205.08850	1.2
229.12213	0.6
254.23727	0.5
257.77087	0.6
293.13965	0.7
307.17661	6.0
409.19067	4.7
410.20230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57066	0.6
59.01384	100.0
60.01719	1.2
61.98835	1.9
65.17939	0.5
67.13882	0.6
69.84794	0.5
73.02955	0.6
85.02971	1.3
98.21889	1.3
99.00836	0.7
111.00881	0.6
116.15695	0.6
137.02455	1.3
139.71852	0.6
191.27734	0.6
195.06691	2.4
210.17813	0.6
275.09314	1.4
307.17737	1.7
349.16412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58654	0.7
57.03458	0.7
57.80568	0.6
63.91520	0.7
69.71011	0.8
71.01388	38.0
106.96807	0.7
115.00388	9.8
125.09740	2.7
133.01460	0.8
141.12859	1.6
149.09753	1.7
153.19292	0.6
185.11841	7.5
186.12294	0.7
189.79517	0.7
197.11842	1.1
219.73451	0.7
249.22150	0.8
293.21259	100.0
294.21579	13.1
329.23669	0.6
410.13925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2235
Annotation	Forskolin
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.0
61.44624	0.8
63.62110	0.8
63.66887	0.7
74.00179	0.8
112.67311	1.0
116.42580	0.8
116.69819	0.8
120.81991	0.8
301.34619	0.8
329.17593	1.2
349.20166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89121	0.6
52.60282	0.4
55.01898	0.7
59.01384	100.0
60.01700	0.8
61.98845	2.7
62.75952	0.5
71.01385	2.1
71.05034	1.4
71.38853	0.7
71.42218	0.4
73.02947	3.8
74.40423	0.5
77.16521	0.5
78.95892	0.6
80.59475	0.6
83.05015	0.6
95.01414	0.8
96.96025	3.1
109.11596	0.6
111.04528	15.9
112.04944	0.6
115.00333	0.7
118.94229	0.8
121.02925	0.6
123.08177	8.0
125.09753	3.9
134.03740	2.6
135.04567	1.1
163.11325	0.9
167.07141	8.3
168.07410	0.5
177.01961	1.0
178.02783	1.0
179.10860	0.9
192.76649	0.7
223.09866	1.7
231.17673	1.0
237.15074	2.3
275.09561	0.6
287.20389	2.2
293.10571	1.3
303.19843	0.7
331.19391	2.1
347.18820	1.2
349.20297	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	409.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03453	1.6
57.84363	1.0
59.01383	100.0
60.01731	1.3
61.98832	17.5
71.01382	9.1
71.05026	1.0
73.02953	47.2
85.02967	2.4
85.06609	1.4
87.04524	7.6
96.95997	5.5
97.06592	5.3
98.06873	1.1
99.04517	4.9
109.02963	1.4
111.04533	1.7
113.06104	2.0
113.09719	2.0
115.00375	3.8
117.10203	1.0
121.02989	3.1
121.06589	2.9
123.08193	1.1
133.01407	1.7
133.02951	1.4
134.03764	6.8
135.04451	2.8
136.05283	1.5
137.06062	1.7
137.09871	1.3
139.07652	10.7
141.05551	2.0
145.10188	1.1
147.08167	6.3
151.07669	7.1
161.02411	1.5
165.09215	7.9
173.09718	1.6
175.11047	1.0
177.01938	3.4
178.02679	4.4
179.03445	2.2
189.09256	4.2
191.10829	1.2
201.09285	1.6
201.12881	2.0
203.10762	1.7
209.02020	0.9
213.14944	2.2
217.15956	1.8
219.10185	1.6
219.13847	2.8
230.13040	1.4
231.13969	1.1
233.15561	1.9
235.13379	1.2
237.14929	3.1
243.10124	1.5
245.15477	30.3
246.15874	2.6
247.13466	1.1
247.16882	1.3
248.14207	2.9
251.12912	1.5
263.16476	13.5
264.16766	1.4
269.13913	10.0
271.13507	1.0
275.09280	2.1
287.16528	11.7
293.10370	3.8
293.13986	7.6
301.18097	3.9
305.17584	1.4
317.21207	1.8
319.19046	4.9
320.19196	1.2
335.15051	1.4
337.20157	14.1
338.20490	1.3
349.20221	5.9
352.18961	2.2
361.20306	6.1
367.21222	18.7
368.21475	2.4
379.21423	1.1
391.21271	16.1
392.22043	1.7
409.18732	3.3
409.23239	1.5
410.13443	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	409.2235
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
55.44497	15.3
58.06909	18.9
59.01379	100.0
60.92051	19.0
61.98842	23.9
62.31604	20.3
71.39075	23.6
81.42719	16.7
190.08121	17.8
340.99951	19.6
349.20151	50.0
410.13684	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
59.42825	1.0
70.89350	1.5
71.01387	76.1
77.29302	0.9
93.82592	0.8
109.20820	1.1
111.16583	1.0
115.00377	19.5
116.92829	1.8
121.10246	12.1
133.01480	2.2
142.11200	0.9
156.20364	1.2
171.10292	26.2
172.10602	1.1
185.11787	2.0
227.06108	1.0
231.21181	2.5
235.03922	0.9
269.07019	2.7
275.20175	53.0
276.20450	3.9
283.41382	1.2
293.21249	100.0
294.21588	8.3
326.73553	0.9
327.97116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
69.82037	1.2
78.95911	68.1
81.72972	0.3
96.96974	6.5
98.22002	0.5
150.98019	1.7
151.98669	0.4
152.99609	100.0
153.99918	1.8
171.00650	3.1
236.27058	0.3
238.08582	0.6
241.21785	0.7
255.23338	1.5
323.27829	0.5
347.52335	0.5
350.10895	0.4
361.50690	0.4
409.23642	10.6
409.28894	0.7
410.24039	1.2
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	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
78.95909	70.5
81.14284	0.3
96.96963	4.6
140.51971	0.3
150.98006	1.4
152.99602	100.0
153.99930	1.6
158.69873	0.3
171.00652	3.2
255.23387	1.8
357.57098	0.3
409.23639	13.7
410.14035	0.4
410.23953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	62.4
93.82151	0.9
96.96957	6.7
107.76374	0.9
150.98059	1.9
152.99608	100.0
154.00006	2.4
171.00685	3.4
182.29880	1.0
255.23251	2.1
325.18420	3.2
326.22119	1.0
409.23801	8.6
410.13589	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	409.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	4.1
59.01381	4.5
70.58562	4.7
73.04082	33.9
73.33620	3.0
78.95973	3.1
82.27602	2.5
82.43106	2.6
97.04092	12.4
115.05144	100.0
116.05492	3.6
116.65791	3.1
127.05116	7.3
132.70749	3.6
145.06213	55.2
152.99638	5.0
325.25110	4.6
343.25891	7.8
355.25745	3.7
373.27106	17.5
409.24918	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	410.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13628	1.4
59.01384	32.0
60.01723	5.0
61.01800	5.2
61.98835	100.0
65.38920	1.3
69.49731	5.9
72.49450	1.4
90.82813	1.2
91.02839	1.3
93.69498	1.3
98.22668	2.5
127.04034	2.4
128.04372	2.0
149.06064	1.5
161.04570	1.4
167.07123	3.9
168.07520	4.0
169.07756	3.3
234.83942	1.4
374.76672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
61.98837	100.0
71.01389	1.5
71.38361	1.6
85.02962	5.6
87.53757	1.2
89.19970	1.2
111.77431	1.4
132.17355	1.4
155.38489	1.3
191.02002	1.8
225.05154	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	410.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
59.01389	24.1
60.01722	3.3
61.01804	3.9
61.98834	100.0
70.93112	3.4
71.01405	3.3
85.02959	6.8
127.04047	2.4
167.07169	2.9
191.01999	2.9
191.05692	3.3
249.00301	5.4
286.07706	2.3
375.07080	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	410.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40767	1.3
59.01387	9.7
61.98833	100.0
71.01398	6.3
71.05084	1.2
73.02963	4.5
74.99111	2.7
78.95921	2.7
85.02942	8.4
87.00896	1.4
89.02442	2.3
101.02452	4.8
113.02467	2.6
135.04527	5.6
136.99121	1.8
146.90813	1.3
155.18845	1.4
161.02473	3.1
167.03447	2.0
179.03482	1.9
185.08209	9.9
205.01375	2.7
249.04137	2.1
279.14438	3.3
328.82339	1.5
354.97644	1.4
410.21280	2.3
411.16943	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	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17002	4.2
59.01391	25.5
67.47413	4.0
69.42239	18.4
71.01382	38.7
72.01740	7.7
73.02948	15.2
83.01398	8.4
85.02953	19.9
86.00114	4.7
89.02464	5.7
93.72101	3.8
95.01361	3.8
101.02444	45.0
109.65985	3.4
113.02456	17.9
161.04585	22.2
162.04903	5.9
176.64636	4.4
185.52669	3.9
199.62436	4.3
221.11847	4.7
235.11888	100.0
236.12135	4.5
278.13324	9.9
279.14471	9.1
366.24963	4.6
367.16043	59.0
368.16418	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	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52875	0.6
59.01382	6.6
59.53038	0.6
61.35222	0.6
61.98837	39.8
69.58905	2.2
69.59291	1.3
71.01382	5.5
71.58150	0.6
73.02950	3.1
73.70729	0.6
75.44720	0.8
85.02962	1.2
96.96013	3.5
99.00890	100.0
101.02452	0.8
109.02954	0.8
121.06529	0.6
131.03519	36.3
156.73813	0.6
156.87585	0.7
161.02454	1.1
161.21210	0.6
211.92505	0.6
219.10347	1.1
231.13937	1.6
234.12692	1.0
238.08357	1.0
240.82683	0.6
249.11365	0.7
249.15001	3.1
345.10007	0.6
361.16779	1.0
374.27139	0.7
379.17590	4.6
411.20850	3.6
413.35742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
60.01720	1.1
61.98833	100.0
71.01384	3.4
71.38484	1.0
73.02963	1.6
73.34947	1.1
80.37547	0.9
84.77528	0.9
96.96024	4.0
99.00885	56.6
106.59510	1.0
131.03514	22.2
135.04456	1.3
150.73721	1.1
161.02422	1.4
185.11848	1.6
186.12164	1.7
187.12469	1.4
188.12663	1.4
208.09439	1.1
248.67630	1.0
249.15021	2.1
276.09680	1.4
322.59097	1.1
337.19769	1.1
358.97977	1.0
379.17874	1.0
389.11914	1.2
410.18900	1.0
411.20364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05148	2.8
58.91507	3.1
59.01390	17.9
59.01638	3.4
59.68588	3.3
60.80799	3.0
61.98834	100.0
69.97385	8.3
78.95477	3.4
78.95918	3.9
99.92581	6.4
116.92827	4.8
134.51390	2.9
147.81516	3.3
164.03540	5.4
184.39903	3.1
196.06126	4.0
229.11107	3.3
238.08389	9.6
337.23831	25.5
350.11142	4.7
410.13409	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	410.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	9.1
61.98833	26.8
89.02818	7.1
96.07609	6.9
120.57443	8.1
164.99837	6.9
296.63443	6.6
332.19241	13.4
350.19830	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	410.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.3
61.98828	21.7
69.05971	6.2
70.53939	9.1
71.01383	60.3
99.92608	15.1
115.00404	9.6
116.92880	19.0
171.04636	8.1
195.85941	6.8
216.31015	6.9
224.13710	9.4
238.08330	12.1
276.20514	8.9
293.21323	30.3
294.21591	100.0
295.21832	11.7
349.82928	7.4
390.73029	6.5
410.13586	19.6
411.13937	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	410.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
61.98832	16.1
69.21950	87.9
71.01366	14.6
78.25447	17.0
114.74815	13.6
136.04097	16.7
151.20433	13.1
164.03535	31.4
171.04602	20.2
192.24199	17.7
196.06160	37.4
213.27318	16.9
238.08299	49.5
284.18744	14.1
294.21646	18.2
350.11188	28.1
410.13568	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	410.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03206	41.9
67.77330	37.2
69.18490	39.9
69.28761	99.9
69.29151	100.0
71.49749	41.9
83.73806	43.2
84.67332	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12218	22.5
54.74191	21.2
69.36554	25.6
69.36873	100.0
75.15958	20.0
82.49808	24.6
87.48309	22.3
113.59923	23.0
118.10544	23.0
127.70319	22.3
161.29730	20.7
239.40129	24.2
273.62082	23.0
276.12296	22.7
305.24744	21.6
372.81998	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	411.1066
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
52.93280	5.6
54.71698	5.2
67.49482	5.0
69.31838	5.1
84.24183	5.8
149.27205	6.0
195.25496	6.2
217.54616	5.9
323.30719	5.8
343.63089	6.7
411.10641	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	411.1273
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.41903	0.6
59.01387	4.0
61.98865	0.7
70.12480	0.6
71.01382	2.8
72.00913	22.8
72.01308	1.4
73.02940	0.8
74.02481	26.8
81.24489	0.5
83.01415	0.7
85.02953	2.5
87.00893	1.3
89.02451	1.2
93.03431	1.1
93.87251	0.6
100.00419	25.3
100.04054	1.3
101.00767	0.8
101.02453	2.4
111.04482	0.7
113.02478	1.0
118.05116	100.0
119.05437	2.2
119.10651	0.6
133.02959	2.1
134.03818	1.0
135.04523	4.8
136.79839	0.7
144.03033	18.3
150.36848	0.6
155.99873	0.7
157.51825	0.6
160.02698	4.8
161.02457	2.6
161.04536	1.1
167.03487	0.7
173.04524	0.7
179.03493	5.6
191.05646	7.5
193.25941	0.7
201.01746	1.7
227.34012	0.6
249.11533	0.6
261.31891	0.7
279.14474	4.1
375.07013	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	411.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.5
65.71770	1.2
66.91499	0.9
71.01389	42.5
85.79714	0.9
97.57404	0.9
99.00893	3.1
99.92597	3.7
115.00374	6.8
181.36653	1.0
183.13884	3.7
191.39482	1.0
191.58173	1.2
195.13972	7.1
197.92613	3.1
213.14981	100.0
214.15294	7.8
235.13315	2.3
263.15244	1.2
295.13855	2.5
307.15207	10.4
308.15433	1.3
309.11945	2.5
329.16074	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	411.1665
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
51.86790	0.4
57.03436	0.7
59.01389	5.4
64.52915	0.3
69.03448	0.5
71.01378	1.2
71.77877	0.4
73.02937	0.9
81.03474	3.0
83.05035	6.1
85.02961	1.0
85.06590	4.2
89.02464	0.8
97.02978	2.2
100.07693	1.2
101.02456	1.3
107.05038	3.6
113.02449	2.2
118.98071	0.6
120.05818	3.2
123.04496	0.5
125.19797	0.3
129.05579	0.6
133.06610	3.6
135.04532	1.6
135.08173	29.2
136.08496	1.3
152.04739	0.5
161.02396	0.4
161.04562	0.4
161.06065	0.5
167.03516	1.0
169.10225	0.5
172.08937	1.7
179.03517	1.4
187.11301	38.2
188.11649	2.4
190.09984	2.4
199.18170	0.6
204.01314	1.1
205.12347	36.1
206.12717	2.4
211.62189	0.4
211.64610	0.4
225.16087	0.5
231.10275	8.6
232.10663	0.6
241.56992	0.4
243.17104	1.9
249.11328	100.0
250.11659	7.9
331.08008	0.4
367.17453	0.6
411.16574	16.5
411.27420	15.1
411.77570	5.6
412.16684	2.2
412.28152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71998	4.4
59.01388	39.7
61.98820	8.3
69.03449	5.5
70.86377	8.4
71.01395	17.8
82.02996	22.6
99.00906	27.7
102.05621	28.2
110.25549	4.8
113.02453	9.2
135.04596	5.8
150.05637	6.1
161.02458	16.1
162.05623	14.7
183.13899	5.4
195.13922	7.8
211.13405	11.4
213.09172	7.5
213.12955	10.6
213.14958	93.7
231.13884	37.0
326.17709	4.9
333.20825	6.5
394.20230	59.6
411.13257	9.5
411.18704	21.7
412.15848	5.6
412.21338	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	411.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03452	3.3
58.00589	0.6
59.01385	48.2
60.01725	0.6
61.98828	0.4
69.03459	1.4
70.98956	0.5
71.01389	63.2
72.01725	1.1
72.99306	1.1
73.02956	21.2
73.76965	0.4
74.03310	0.5
75.00880	1.6
81.03457	0.7
83.01395	9.8
85.02959	28.8
86.03309	0.7
87.00888	3.3
89.02456	21.8
95.01409	3.8
97.02943	2.5
99.00888	7.9
101.02454	47.7
102.02791	0.9
111.00891	1.2
113.02461	25.4
114.02818	0.7
114.93436	0.9
115.04025	0.6
115.07661	0.7
118.98106	1.2
119.03540	4.4
121.02991	0.6
125.02470	3.7
127.07674	0.5
129.01953	1.6
131.03531	3.2
135.04533	1.5
143.03529	3.1
149.04559	3.3
151.07776	0.4
153.05573	0.8
159.03000	5.8
161.04575	31.7
162.04915	1.2
172.04097	0.6
177.05626	0.7
179.03545	1.9
179.05551	0.6
191.05687	1.0
197.04692	0.8
205.03537	0.5
221.11873	0.8
233.06718	1.7
249.11427	1.2
274.08395	0.4
279.14520	100.0
280.14874	6.2
293.08829	0.7
365.17871	0.4
367.03568	0.6
411.18820	13.7
412.19009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.5
57.03451	9.7
58.00576	1.5
59.01384	66.3
61.98821	1.9
62.23054	0.8
64.36684	0.8
66.15376	0.8
69.03442	2.2
71.01389	100.0
71.41027	0.7
72.01738	1.6
72.99306	3.6
73.02952	41.1
75.00887	1.9
77.53510	0.8
78.95895	1.3
81.03458	1.5
83.01401	17.5
84.02159	0.8
85.02959	60.7
86.03307	1.8
87.00883	4.8
87.08087	0.9
89.02451	16.8
95.01397	7.1
97.02995	5.5
99.00890	14.0
99.06139	0.8
101.02454	97.0
102.02795	2.3
111.00858	3.4
113.02459	46.3
114.02798	1.7
118.98102	1.1
119.03513	7.0
119.04939	1.2
125.02438	3.9
129.01965	5.3
131.03526	1.5
134.03741	3.8
135.04483	0.9
143.03528	4.3
147.03015	3.2
159.03009	9.0
160.01627	1.8
161.02423	1.9
161.04572	51.9
162.04866	1.7
173.00912	1.8
175.03984	3.2
175.75542	0.8
179.05692	2.8
191.01990	2.0
192.90433	0.9
193.05087	3.6
197.04500	1.0
221.06749	1.2
245.06638	1.4
249.13445	69.7
250.11415	0.9
250.13737	4.5
250.28569	1.2
261.07733	1.6
263.07697	1.9
295.12003	1.0
397.70892	0.9
411.18750	60.2
412.13641	0.9
412.18936	5.5
425.60751	0.9
432.18848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.2
57.03456	1.6
59.01385	100.0
60.01729	1.1
61.98820	2.8
69.65187	1.1
70.88006	1.8
71.01388	29.5
73.02953	12.1
83.01382	3.9
85.02960	11.1
86.00105	1.4
87.00895	4.2
89.02451	2.3
95.01405	1.5
97.95446	1.0
99.00883	2.3
100.06117	1.1
101.02452	15.2
113.02468	11.0
115.07665	1.6
119.03448	1.5
123.14753	1.1
131.05025	1.5
133.60577	1.1
143.03474	1.8
143.42360	1.2
159.03012	1.7
161.04565	15.8
175.38107	1.2
187.09717	1.7
189.12851	15.2
190.13219	1.5
203.05696	2.2
270.69589	1.3
302.23282	1.2
368.05472	1.1
369.19135	4.9
370.77145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
59.01373	0.8
69.00663	0.3
70.22704	0.7
71.01388	3.2
73.02959	2.1
81.72067	0.3
85.02943	0.5
89.02437	0.4
96.96021	0.6
97.06584	0.6
99.00889	100.0
100.01239	1.9
109.02942	0.4
119.05074	0.3
131.03514	39.2
132.03848	1.2
135.04521	0.6
141.05666	0.4
146.27986	0.3
151.07646	0.8
161.02434	0.3
167.39085	0.3
179.03487	0.5
181.08731	0.3
219.10301	0.8
220.10980	0.4
231.13824	1.8
234.12694	0.9
249.14972	3.5
250.15294	0.6
261.15018	1.0
310.63181	0.3
325.41690	0.3
361.16595	0.8
375.18115	0.3
379.17599	4.0
380.17996	0.4
393.19254	0.5
411.20361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.7
59.01384	18.9
65.03967	71.9
67.01884	3.5
69.03461	78.1
71.01390	9.6
71.05827	6.1
73.02963	17.8
73.18806	3.1
74.34710	3.7
75.00890	3.6
78.84856	3.3
80.02668	7.3
81.03461	17.0
83.05032	85.5
85.02957	14.7
85.06616	6.0
90.56915	3.6
95.05047	18.3
97.06575	31.5
99.00885	85.4
99.04526	4.7
100.07740	3.7
101.02460	3.9
109.02971	9.8
109.06570	18.3
110.03775	4.7
111.04548	7.3
113.02459	60.0
113.03175	6.0
114.52071	3.8
123.04483	4.8
123.08178	17.1
127.04037	30.1
131.03503	22.1
133.06659	5.5
134.07422	3.7
135.04572	6.3
135.08185	4.5
137.06081	5.6
137.09737	6.6
138.06833	4.8
139.07668	8.2
143.03464	5.0
149.06107	3.7
149.09799	8.6
150.06889	10.5
151.07664	64.1
151.11259	7.7
153.09238	16.9
161.06084	7.7
163.07674	9.9
164.08281	4.2
165.09219	50.4
175.07643	4.8
177.09258	7.7
178.10013	6.2
179.03418	4.0
179.10777	6.2
183.10344	5.3
193.08656	6.2
195.10306	5.1
201.09196	9.6
202.09912	5.1
204.08066	5.4
207.13907	15.5
218.09506	7.8
219.10381	7.7
220.10910	5.0
231.10246	12.2
231.13913	7.7
232.11081	12.5
233.11798	15.1
234.12653	4.5
235.13319	17.6
241.12422	8.0
243.13828	5.0
243.17308	4.9
246.12631	15.8
247.13490	7.5
248.13919	4.2
249.14983	6.1
251.12891	25.9
258.12540	13.3
259.13351	11.3
261.14972	100.0
262.15393	11.4
270.12704	6.8
273.14868	19.8
281.15460	12.4
284.14172	7.1
287.12943	13.3
288.13806	20.2
289.18088	6.2
299.16562	67.6
300.16925	7.1
302.15225	16.0
313.18115	12.0
317.17596	97.5
318.17929	8.9
319.15259	4.0
331.19229	35.8
332.19672	5.5
343.15350	5.3
349.20047	8.2
361.16559	79.7
362.16855	10.9
375.18063	5.3
379.17645	46.8
380.17789	6.7
393.19257	69.0
394.19427	8.4
411.20288	21.0
411.27380	43.8
411.77548	24.5
412.21008	4.5
412.27304	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	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03453	13.9
59.01385	100.0
60.01703	1.7
61.43477	0.8
69.03450	1.5
71.01393	11.3
73.02954	16.9
83.01366	1.7
85.02955	6.0
87.00884	2.4
89.02458	1.5
96.96005	0.8
99.00893	23.8
101.02453	3.8
109.06578	2.5
111.00909	1.1
111.28499	0.9
113.02470	3.5
114.74120	1.0
117.78896	0.9
123.58821	1.1
127.03978	1.2
131.03531	5.9
133.02908	2.1
134.03714	1.1
135.04544	14.3
136.04878	0.9
137.09714	3.7
161.02473	6.5
161.04547	4.3
179.03499	11.6
180.03961	1.1
192.11638	7.6
207.13914	39.8
208.14287	2.5
234.12473	1.3
247.13329	1.9
249.14935	2.6
257.82260	0.9
261.14914	1.1
313.74078	1.2
319.15442	3.4
361.16440	2.4
377.11819	4.3
377.61884	2.3
379.17612	2.5
389.11725	8.4
389.61832	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	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.01952	1.7
65.35123	2.0
69.30608	8.1
71.01395	13.2
73.02953	18.8
74.65064	1.6
75.00889	2.3
78.38844	1.6
83.01403	2.4
84.06048	1.9
84.09193	1.6
85.02968	8.4
89.02458	5.6
89.69311	1.7
99.00890	43.5
101.02461	12.3
113.02451	8.8
127.03938	1.6
131.03502	16.3
137.09732	6.2
147.05812	1.7
161.04628	2.7
232.10951	2.1
234.12611	4.1
246.61958	1.6
247.13388	13.1
248.02768	1.9
249.14952	9.4
250.98096	1.7
261.14908	4.5
274.73343	2.0
292.80029	1.8
301.14438	3.0
319.15506	22.1
320.15784	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	411.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37755	1.0
58.78178	1.3
59.01391	1.7
61.98843	1.5
66.73835	1.1
66.92267	1.3
70.54649	2.1
70.55013	1.6
71.01389	52.1
72.01730	1.7
80.27182	1.2
84.62436	1.2
89.49210	1.2
94.92500	1.2
98.22593	1.5
99.92585	6.2
104.37971	1.2
111.03921	1.2
115.00374	13.2
115.92092	2.5
116.67039	1.2
116.92875	4.5
118.89982	2.8
133.01396	2.4
171.10275	16.1
172.10614	1.1
277.21732	24.7
280.60986	1.3
295.22791	100.0
296.23163	10.3
349.75766	1.5
353.23074	1.2
376.13403	1.6
411.14035	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.20359	14.1
70.20677	5.2
71.33937	5.1
98.22523	6.2
138.21255	5.3
152.99562	5.9
291.19614	13.6
292.03180	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	412.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13298	1.3
54.85687	1.4
57.03441	2.6
59.01383	16.9
64.80032	1.4
71.01385	10.9
72.99320	2.1
73.02946	2.8
73.17738	1.2
85.02966	11.2
87.00863	1.9
89.02449	7.5
93.03471	1.6
96.96050	7.4
98.02483	1.8
101.02438	5.9
103.23367	1.8
113.02454	6.0
118.98103	4.2
119.03473	2.7
120.99642	4.6
122.03745	18.9
127.65851	1.6
133.02879	2.2
135.04536	10.2
149.02403	1.9
150.03236	4.1
161.02440	4.4
164.04805	81.2
165.05586	100.0
166.05905	4.1
177.05606	2.7
179.03520	9.9
180.03946	1.5
189.05582	2.2
191.05611	1.8
199.27998	1.7
204.01277	3.3
207.06558	2.1
220.10574	1.4
309.09991	2.0
369.11932	22.4
369.20105	2.8
370.12112	4.8
412.09872	1.8
412.20895	2.7
413.17960	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	412.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12487	1.5
54.15028	1.2
58.20207	1.3
59.01392	19.0
61.98837	100.0
64.98440	1.4
71.01398	7.2
72.40349	1.2
73.02950	3.1
73.95407	1.3
74.99103	2.4
83.01383	1.8
85.02964	6.4
89.02428	2.9
101.02451	6.2
113.02457	6.3
133.02975	3.1
135.04546	10.5
136.99144	2.4
150.03250	2.4
155.58730	1.4
156.49854	1.3
161.02483	4.6
179.03502	11.0
184.99902	1.4
185.31187	1.4
187.09827	11.5
187.11256	2.5
195.59404	1.5
225.25430	1.5
233.11774	1.6
250.11763	2.1
251.12834	5.0
286.07767	1.3
311.09561	6.3
411.64471	2.2
413.18213	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23281	12.1
54.70813	9.1
59.01387	100.0
59.22155	8.9
60.01710	16.9
61.01809	16.9
61.98823	57.0
71.39117	10.2
73.54066	10.0
74.02518	10.0
82.77214	10.6
98.20047	9.9
99.82586	10.5
99.92606	22.6
102.22466	11.6
123.84222	9.5
140.11584	11.5
171.10268	17.1
193.08467	38.5
194.08867	17.7
330.23682	44.7
352.21478	31.9
355.29276	11.3
412.15918	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	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	32.7
69.19070	100.0
71.01406	19.8
71.45551	15.0
99.92599	27.5
115.91908	15.3
135.90312	16.3
138.74284	15.6
197.07762	16.1
265.13107	20.8
296.22931	26.8
322.03183	18.6
382.73566	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	413.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33247	2.9
59.01370	12.6
68.99832	5.3
69.06529	7.7
69.06930	18.7
71.01380	23.6
73.02955	59.1
78.31406	3.2
81.03468	6.1
83.59952	3.3
85.02947	8.6
89.02421	10.3
90.55950	3.1
93.03474	4.7
99.00887	100.0
99.04520	8.8
100.01225	4.1
101.02455	41.5
101.59343	3.8
111.04540	4.9
113.02457	9.1
114.52199	3.0
119.03529	4.7
127.04025	16.8
129.01878	3.4
135.04564	4.1
155.03523	85.3
156.03813	6.1
159.02977	13.1
179.03574	5.4
179.05598	6.0
181.05040	20.9
191.05716	5.5
197.08229	3.8
199.06099	16.9
235.03809	3.3
251.00098	8.2
280.97626	3.4
375.06818	7.5
395.07486	8.2
413.08356	5.8
413.16071	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	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00589	0.2
59.01093	0.2
59.01383	3.2
65.00327	0.5
69.25073	0.9
71.01031	0.2
71.01390	2.3
72.99310	0.2
73.02931	0.8
75.87226	0.2
79.95734	0.2
80.96491	0.3
81.03465	3.6
82.03761	0.2
83.01395	7.8
85.02957	0.9
89.02455	0.9
95.01385	0.3
95.05009	0.4
101.02435	1.2
105.03460	0.7
107.01383	0.7
113.02457	0.8
119.03485	0.6
121.02949	0.3
123.04549	5.4
124.04835	0.2
125.02473	2.1
135.04491	0.3
136.65015	0.2
143.03523	0.2
145.02904	0.3
149.02455	3.8
150.03209	0.2
151.00392	2.1
161.02458	0.3
161.04544	0.4
161.06046	0.2
163.04015	0.6
165.05588	7.6
166.05919	0.4
167.03516	12.8
168.03877	0.6
175.00352	0.6
175.04085	0.2
179.03534	0.3
181.05084	0.2
187.04120	0.3
187.66022	0.2
189.01906	0.6
191.03517	2.7
193.01433	12.6
194.01784	0.5
195.98563	0.2
205.05072	4.4
206.05168	0.2
209.04565	100.0
210.04887	6.1
217.01376	0.2
221.04645	0.3
222.32796	0.2
223.06036	0.2
233.04564	2.0
251.05624	1.8
251.16801	0.3
252.05965	0.2
264.02625	0.2
310.08768	0.2
413.10931	9.9
414.11264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04663	4.9
53.39122	4.8
59.01369	15.0
61.98833	100.0
64.40096	5.5
67.83859	5.6
69.35989	13.4
69.36381	12.3
71.01387	13.6
72.99315	6.3
123.08009	5.5
129.44810	5.1
163.38495	5.5
179.63026	6.4
245.17918	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	413.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.7
61.98819	16.5
70.88963	18.2
71.01391	17.6
85.02931	16.5
85.90796	15.0
101.03903	12.2
172.01733	29.5
200.01172	18.5
225.05550	30.2
232.42354	15.4
244.00157	99.4
259.02390	37.9
295.02310	20.0
332.14752	15.5
351.00909	17.6
395.24188	23.1
413.08762	100.0
413.25500	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	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.1
59.01384	100.0
60.01723	1.1
65.37996	0.6
71.01395	5.3
71.40326	0.8
73.02958	2.4
78.95937	0.9
83.01389	0.9
85.02977	3.0
89.02425	0.8
101.02451	5.5
110.59695	0.7
113.02463	3.4
113.12756	0.7
135.04575	1.5
161.04594	4.8
174.33229	0.7
179.03474	1.1
255.08997	2.7
353.16046	5.6
371.54666	0.7
375.13245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33619	0.6
52.65273	0.6
57.03447	1.1
59.01384	100.0
60.01710	1.4
71.01390	3.6
71.05830	1.3
71.51728	0.7
71.74500	0.6
73.02933	3.4
83.01431	1.2
85.02956	10.8
89.02478	0.6
99.00914	3.5
101.02480	2.2
101.04306	1.4
113.02472	1.1
123.71450	0.6
129.02008	1.0
131.03542	1.3
147.03014	1.1
149.06451	2.1
161.02483	0.7
161.04666	0.8
161.37787	0.7
179.59604	0.6
191.02040	2.5
193.05128	1.1
237.08163	1.8
401.88736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06089	0.8
59.01385	100.0
60.01725	1.0
69.25005	0.8
71.01403	1.7
71.39359	0.8
85.02949	1.5
89.02449	1.0
101.02474	1.7
107.57105	0.7
131.93779	0.9
161.04521	1.4
171.22171	1.1
255.38344	0.8
355.73740	0.8
371.20865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	1.2
69.24234	0.7
69.24637	1.0
71.01384	2.0
73.02947	2.1
83.01404	0.3
85.02961	1.0
89.02473	0.9
99.00901	1.5
101.02467	1.3
113.02470	1.0
115.00400	0.4
119.03532	1.1
131.03514	0.5
133.02969	0.4
135.04509	0.5
143.03569	0.4
161.02512	0.8
161.04619	1.1
179.03516	0.7
179.05632	0.3
183.59093	0.3
303.37415	0.3
314.22101	0.3
371.20947	1.7
419.71005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	1.2
69.24234	0.7
69.24637	1.0
71.01384	2.0
73.02947	2.1
83.01404	0.3
85.02961	1.0
89.02473	0.9
99.00901	1.5
101.02467	1.3
113.02470	1.0
115.00400	0.4
119.03532	1.1
131.03514	0.5
133.02969	0.4
135.04509	0.5
143.03569	0.4
161.02512	0.8
161.04619	1.1
179.03516	0.7
179.05632	0.3
183.59093	0.3
303.37415	0.3
314.22101	0.3
371.20947	1.7
419.71005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33619	0.6
52.65273	0.6
57.03447	1.1
59.01384	100.0
60.01710	1.4
71.01390	3.6
71.05830	1.3
71.51728	0.7
71.74500	0.6
73.02933	3.4
83.01431	1.2
85.02956	10.8
89.02478	0.6
99.00914	3.5
101.02480	2.2
101.04306	1.4
113.02472	1.1
123.71450	0.6
129.02008	1.0
131.03542	1.3
147.03014	1.1
149.06451	2.1
161.02483	0.7
161.04666	0.8
161.37787	0.7
179.59604	0.6
191.02040	2.5
193.05128	1.1
237.08163	1.8
401.88736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16530	0.3
59.01384	100.0
60.01724	0.8
67.29497	0.4
71.01402	0.8
73.02985	0.4
83.01414	0.4
85.02977	0.8
99.00909	1.6
99.04544	0.4
131.03494	0.5
133.02966	2.9
135.04536	2.4
161.02477	8.3
179.03601	1.8
193.63339	0.4
413.14694	4.0
413.22037	0.7
414.14963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
69.49445	32.4
69.49837	20.5
96.95982	15.1
97.06603	11.4
116.92899	15.2
130.23381	11.6
162.93614	11.3
243.90331	10.7
269.81885	13.7
365.48880	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	414.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20582	0.5
59.01384	30.6
59.11969	0.4
61.43572	0.4
63.29139	0.4
70.22092	1.0
70.22449	0.5
71.01375	0.8
82.06641	0.6
85.02971	0.9
98.22612	0.6
101.02456	2.0
115.02531	1.8
115.47530	0.5
117.00469	2.8
128.07233	2.8
130.08751	100.0
131.09076	2.3
139.02544	0.9
141.00432	2.8
142.00630	0.5
157.03578	6.5
158.03670	0.7
159.01492	0.9
164.06572	0.5
168.99962	0.5
172.03117	0.5
180.45929	0.5
183.01509	14.7
184.01605	1.2
185.01268	0.5
188.07761	0.7
201.02573	19.4
202.02721	2.6
226.09386	2.2
228.07388	2.6
228.10936	2.5
230.08838	8.7
231.08968	0.9
241.00519	1.0
254.08870	10.3
255.09164	1.6
272.09927	77.1
273.10126	7.3
283.01535	0.6
299.14499	0.8
354.09207	2.5
396.10052	9.9
397.10245	3.0
414.11185	6.9
414.24609	11.4
415.11197	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	415.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03453	11.8
59.01386	11.0
68.99827	1.2
69.83353	2.3
71.01394	9.2
72.99315	2.2
73.02945	0.8
75.00877	2.4
83.01395	2.1
84.02160	1.9
85.02958	100.0
86.03294	2.0
87.00861	0.8
89.02464	3.2
92.30068	0.7
98.07311	0.6
101.02435	1.7
103.00376	1.4
111.00894	5.1
115.00380	1.3
121.03004	1.2
128.03500	1.8
129.01974	7.3
133.01424	2.0
133.02940	2.0
141.09143	0.7
147.02995	8.0
149.02470	3.8
161.02472	10.0
161.06079	0.7
164.04837	2.6
173.00920	1.9
191.02000	33.2
192.02330	1.0
199.38811	0.8
209.03043	57.6
210.03439	1.7
280.47238	0.7
280.50702	0.6
415.12653	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	415.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43466	0.5
55.01885	2.2
57.03171	0.9
57.03451	13.2
59.01385	8.5
70.75363	0.7
71.01392	3.5
72.99293	1.3
73.02951	1.1
75.00886	1.7
83.01385	2.5
84.02172	1.0
85.02956	100.0
86.03280	2.3
87.00888	0.8
99.00873	0.6
101.02466	1.0
103.00382	1.8
111.00892	3.9
115.00359	1.2
121.02929	0.5
123.04517	0.6
129.01967	7.2
133.01456	0.6
147.01859	0.5
147.03011	11.2
149.02406	2.4
164.04803	2.1
167.07130	0.6
173.00954	1.5
191.01991	25.7
192.02354	0.8
209.03035	8.4
211.06139	1.0
223.06126	2.1
232.96036	0.5
251.73621	0.6
428.48624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37402	0.8
59.01382	16.3
64.52340	0.8
69.14621	6.0
71.01390	14.2
73.02930	2.3
83.01366	2.0
83.05011	1.1
85.02959	4.1
89.02435	1.5
101.02442	3.5
101.38399	0.9
109.02955	12.3
111.00891	1.0
113.02472	1.9
115.00385	2.1
117.03455	2.0
119.05038	1.7
121.02973	1.4
125.02392	1.5
125.72578	0.9
133.02974	2.9
134.03680	1.3
135.04555	1.4
138.03276	1.3
145.02968	100.0
146.03799	16.2
147.04515	3.1
151.00336	1.3
151.04005	3.7
152.35876	0.9
157.02925	0.9
158.03781	1.4
159.04501	7.8
159.12640	0.9
161.02493	6.9
161.04578	1.9
161.05966	1.3
172.22630	1.0
173.02451	6.8
174.03229	2.8
175.04012	4.4
177.01897	1.5
179.03496	2.4
189.01956	1.8
189.05510	2.5
190.02754	8.8
203.03487	5.1
204.04294	21.6
205.05058	26.2
206.05371	1.8
207.03085	1.4
217.05038	4.7
219.03024	4.9
219.06627	59.7
220.06947	3.7
224.04826	1.0
225.05635	2.4
229.01370	4.8
231.02966	2.3
232.03789	9.2
234.05341	2.6
237.05594	1.6
246.05289	2.4
247.06131	12.9
253.05042	3.9
258.93646	0.9
261.07703	1.7
263.03543	1.7
264.04147	1.0
265.04999	3.4
269.04620	1.0
281.04587	10.7
282.05206	3.7
296.06885	4.1
297.07687	2.5
299.18585	6.5
309.04025	3.2
311.09348	2.4
324.06400	2.5
339.08893	4.8
340.05734	1.5
341.06619	2.2
355.08273	3.6
356.08957	7.3
371.11386	67.2
372.11633	7.3
373.22229	1.6
383.07736	12.3
415.10638	4.8
415.23795	2.1
416.15771	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30728	0.4
55.01891	2.2
55.28399	0.6
57.03178	0.8
57.03453	12.5
59.01087	0.6
59.01382	10.7
60.16475	0.5
68.99836	0.5
71.01387	7.2
72.99309	1.6
73.02953	1.9
74.99100	14.1
75.00864	2.2
83.01399	3.7
84.02164	1.4
85.02957	100.0
86.03297	1.8
86.08699	0.5
87.00877	2.5
89.02452	1.8
93.85677	0.4
99.00918	0.9
99.04510	0.8
101.02454	2.1
101.06107	0.5
103.00388	1.4
111.00890	3.9
113.02453	1.8
115.00404	0.7
124.60126	0.4
129.01953	8.4
135.04483	0.7
136.99155	13.2
147.03009	12.4
149.87489	0.4
163.51994	0.4
164.03107	0.6
164.04825	1.6
165.05612	1.7
173.00909	1.8
179.03554	1.0
179.05396	1.9
191.01987	29.7
192.02324	1.0
206.61066	0.4
209.03032	12.4
265.66690	0.5
415.13962	1.0
415.19736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03452	12.2
57.92994	0.5
59.01380	9.9
68.99812	0.5
71.01384	5.4
72.99313	1.6
73.02959	1.3
74.99100	11.3
75.00870	2.0
83.01389	2.5
84.02179	1.9
85.02956	100.0
86.03300	2.4
87.00888	1.5
89.02441	1.5
98.22661	1.3
99.00921	0.6
99.04515	0.6
101.02462	1.7
103.00385	1.6
111.00892	4.1
113.02438	0.8
115.00377	0.9
129.01964	7.7
133.01476	0.8
135.04514	0.7
136.99159	10.8
146.05573	0.4
147.03001	13.6
164.03098	0.8
164.04805	0.7
165.05588	1.1
169.51730	0.4
173.00951	1.1
175.29741	0.4
179.03766	0.6
179.05444	1.4
179.10822	1.0
191.01991	28.0
192.02325	0.8
209.03058	12.0
221.14087	0.5
304.33047	0.4
415.14423	0.9
415.19815	0.5
438.30261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.5
59.01383	18.6
59.13419	2.9
60.93151	2.4
62.85923	2.6
71.01380	9.7
73.02921	3.1
78.91904	2.6
78.94267	2.7
79.93053	3.1
81.68623	2.6
83.01389	3.2
83.05033	35.2
85.02941	8.1
97.06569	5.8
99.00886	4.0
99.04556	2.7
101.02464	4.1
137.06073	5.6
139.07645	6.6
149.09702	3.7
161.06305	3.2
165.09155	4.3
193.08688	3.4
203.01497	2.7
217.08678	6.0
218.09424	5.9
229.08743	6.7
231.10147	4.2
232.11063	13.7
244.10983	15.7
245.11885	34.7
246.12471	5.9
247.13403	100.0
248.13699	7.0
251.12903	5.2
259.13403	35.0
260.13943	3.1
264.62589	3.5
274.15704	3.0
287.12720	3.6
288.13760	13.6
299.18961	24.7
302.15231	85.1
303.15659	7.4
317.17569	67.9
318.18033	7.3
379.17697	51.0
380.17615	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.2
59.01388	96.4
66.74454	5.4
68.09017	5.6
71.01386	74.1
71.45717	5.6
73.02944	19.4
83.01382	7.5
85.02959	39.9
86.58759	8.5
89.02457	10.7
90.79381	6.1
98.21814	13.9
101.02445	30.0
106.93681	6.9
109.02938	9.7
113.02466	18.4
115.00369	10.8
125.02435	15.7
133.01430	13.4
133.02946	17.0
135.04555	13.8
136.14647	6.8
145.02988	100.0
146.03661	7.9
159.04553	13.2
161.02484	10.7
161.04581	15.3
169.08737	9.5
173.02357	6.6
201.75624	7.0
202.51328	6.1
204.04233	32.1
205.05045	26.7
206.05441	8.0
219.06598	68.3
220.06859	6.6
232.03777	9.7
239.61153	6.5
247.06204	12.0
247.24692	8.2
248.87852	7.6
281.04715	9.9
299.18585	44.0
347.17044	24.8
371.11447	59.8
372.11649	10.2
379.82495	7.1
383.07727	12.6
415.10315	8.2
415.23517	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	415.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.1
57.88497	6.0
59.01393	18.2
60.60569	6.1
64.84994	6.4
69.75851	13.7
69.76207	13.5
71.01391	16.7
72.91913	6.3
73.03033	5.4
76.48653	7.2
79.59413	6.7
81.58556	5.9
83.05029	47.3
97.06640	9.4
98.22614	9.4
100.07140	6.7
133.02950	14.5
135.04533	12.0
139.07709	6.7
151.00752	6.7
154.15257	8.2
161.02460	22.5
195.20961	6.6
207.13954	7.1
229.08665	12.3
232.11111	14.7
244.11052	21.8
245.11850	47.8
246.12506	9.6
247.13388	100.0
248.13792	11.2
259.13358	42.8
287.12946	9.5
302.15305	98.0
303.15707	10.4
317.17673	62.0
349.64331	7.2
379.17636	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42055	0.2
54.27098	0.3
55.01873	1.5
56.99805	0.3
57.03447	1.6
58.00590	1.3
59.01384	100.0
60.01724	1.4
61.64070	0.3
68.55845	0.2
69.03451	0.9
69.33022	1.2
70.95794	0.2
71.01387	69.0
72.01726	1.0
72.99312	1.4
73.02953	13.2
74.03271	0.4
74.99095	0.8
83.01389	2.9
85.02960	13.0
86.00137	0.4
86.03312	0.3
87.00880	2.8
89.02451	91.4
90.02785	1.2
95.01376	1.4
96.26324	0.2
97.02965	0.8
98.21883	0.6
99.00894	1.0
101.02452	34.0
102.02773	0.7
105.13751	0.2
112.68740	0.2
113.02458	14.8
114.02792	0.4
115.03998	0.3
115.57771	0.2
119.03512	11.8
120.03846	0.5
125.02460	2.6
131.03517	21.2
132.03857	0.5
143.03500	2.7
149.04567	35.8
150.04916	0.6
161.04568	2.3
173.70821	0.2
179.05627	5.4
191.05632	9.1
202.59128	0.2
209.98859	0.2
254.74973	0.3
283.11923	0.3
415.16089	1.0
416.16238	0.3
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
59.01384	100.0
60.01719	1.6
70.61546	0.7
71.01401	2.2
73.02975	0.5
77.61369	0.3
79.96658	0.3
85.02966	0.8
88.78733	0.3
89.02457	2.1
101.02467	0.9
103.98868	0.3
107.05099	0.4
113.02494	0.8
119.03517	0.6
137.06134	0.5
151.07712	1.1
168.02531	1.2
191.02095	0.5
211.04410	1.3
253.14595	0.5
281.86707	0.4
298.39191	0.3
305.87094	0.4
356.57574	0.4
415.19446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92282	1.3
55.01878	1.5
57.03444	2.8
58.00620	1.3
59.01384	100.0
59.35592	1.3
60.01723	1.9
69.02199	1.2
70.45701	2.2
70.46034	1.8
71.01390	57.1
72.99332	1.7
73.02955	4.7
74.99103	2.6
83.01382	2.4
83.05080	1.6
85.02953	27.3
87.00880	4.3
89.02453	68.2
95.01408	4.8
101.02460	29.0
113.02460	22.2
113.87099	1.5
119.03503	23.0
125.02398	1.4
131.03551	2.5
135.04550	3.5
136.99170	2.6
143.03494	3.8
147.11844	4.4
149.04533	2.7
150.84605	1.5
161.04587	5.8
173.13367	13.1
179.03484	2.5
179.05598	10.6
191.01973	2.6
191.10797	1.7
209.06709	4.8
268.38983	1.7
324.59116	1.3
342.42969	1.3
376.69485	1.4
377.13785	1.2
415.19434	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.13928	1.0
57.03451	10.5
57.59738	1.2
59.01384	100.0
60.01728	1.6
61.98835	2.4
69.03448	1.1
69.45027	2.0
69.45411	2.3
70.01446	1.1
71.01389	82.8
71.05030	12.7
72.01710	1.4
72.99310	2.4
73.02950	20.4
78.86121	1.0
83.01395	8.3
85.02959	35.0
87.00881	6.9
89.02449	47.5
95.01427	5.5
97.02957	1.9
99.00882	5.6
101.02451	54.4
102.02808	1.5
106.13805	1.2
107.05038	1.3
113.02456	34.2
119.03519	24.8
123.08179	22.1
125.02466	1.3
127.70507	1.1
131.03542	1.6
135.11807	3.7
143.03528	4.6
145.05067	8.6
149.09740	2.9
154.49593	1.2
159.02989	5.1
161.04582	22.8
167.10802	2.3
179.05605	3.3
179.10783	2.3
191.14415	13.4
211.09740	17.3
212.10103	1.0
235.08238	4.5
235.13358	8.5
253.14420	1.9
371.20465	1.6
396.38773	1.4
415.19748	69.0
416.20142	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	415.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19091	1.2
74.99100	6.2
77.00674	81.2
78.01002	0.6
78.95921	3.8
87.02030	0.5
110.98534	2.6
146.68013	0.6
147.08203	1.9
149.09744	2.0
160.09006	0.9
161.09714	1.4
163.11296	2.9
187.11320	2.1
265.12064	0.8
279.13821	0.9
280.14746	0.9
307.16949	0.6
309.22250	2.6
337.21762	100.0
338.22134	14.0
398.68298	0.6
415.23163	11.6
416.24503	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
56.92225	0.9
57.03442	2.6
58.00606	1.0
59.01385	100.0
60.01713	1.0
61.98825	2.8
71.01389	65.5
71.39882	0.7
72.99299	1.6
73.02965	5.3
74.99065	1.3
75.00857	0.8
81.87850	0.8
83.01390	2.8
85.02956	18.2
87.00885	2.2
89.02453	68.9
90.02760	1.2
91.89133	0.8
95.01377	3.4
98.07462	0.8
99.00874	1.5
101.02450	27.7
111.00915	0.7
113.02463	21.9
114.02766	0.7
119.02667	1.3
119.03519	22.9
131.03496	3.0
135.04425	0.8
142.41252	0.8
143.03464	3.4
149.04509	1.8
159.02942	1.5
161.04553	6.5
161.19759	0.8
179.05577	6.0
191.01945	2.4
192.16168	1.0
193.00577	3.4
211.09792	5.9
250.42474	0.8
253.14467	0.8
330.89041	0.8
415.19638	4.7
415.24243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35869	1.2
59.01380	2.1
60.15250	1.2
61.98835	10.2
67.30746	1.2
69.34418	4.3
69.34831	2.8
84.83825	1.3
85.02955	13.1
87.00842	1.5
93.03403	1.7
119.34565	1.3
127.04016	2.1
161.02463	1.7
173.04485	1.6
191.02045	3.2
191.05634	100.0
192.05992	4.5
230.35623	1.4
285.97397	1.5
353.08728	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	416.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02649	8.2
59.01387	52.9
71.01408	10.8
77.71394	10.5
83.05055	12.6
85.02947	14.9
105.68812	10.3
111.04552	55.2
139.38695	9.1
152.13972	9.6
306.00137	9.9
309.89844	9.8
345.17072	42.6
363.18286	18.8
383.10452	10.3
405.57135	9.1
408.53827	10.4
417.16861	100.0
425.95920	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	416.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	45.4
69.20869	100.0
77.78139	15.8
78.87564	15.1
83.01614	17.8
84.69221	16.7
85.02962	17.5
95.87923	15.7
111.04530	41.9
132.84041	15.9
157.23758	18.2
174.11702	16.1
324.11453	17.4
345.17099	35.2
363.18002	25.1
377.36682	16.9
417.16864	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
63.78692	0.6
69.14407	4.0
71.01373	2.7
85.02964	1.2
108.02181	64.7
109.02978	27.1
110.03326	0.8
151.03990	1.7
152.01160	91.9
153.01517	3.7
163.04028	2.2
177.02017	0.7
204.17429	0.6
241.07207	3.6
417.10400	100.0
418.10693	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30236	0.4
55.01877	1.8
57.03179	0.7
57.03448	12.2
59.01385	9.1
68.99829	0.6
69.86944	0.5
69.87268	0.8
71.01388	4.9
72.99321	1.2
73.02956	1.2
74.12688	0.4
75.00874	2.5
83.01381	2.4
84.02166	1.6
85.02957	100.0
86.03294	2.6
87.00890	1.2
89.02441	1.0
101.02447	1.2
101.14019	0.4
103.00371	1.7
111.00898	5.1
115.00388	1.3
129.01953	12.4
130.02275	0.6
133.01474	0.5
145.01483	0.5
147.03004	13.9
148.03285	0.6
161.02394	0.4
173.00917	2.7
180.06712	1.4
181.05005	0.4
181.12404	0.6
191.01990	36.0
192.02382	1.3
209.03099	2.1
225.11401	1.2
225.66209	0.4
232.48311	0.4
255.12361	0.4
293.81116	0.4
321.40082	0.5
399.13156	1.2
417.07770	1.4
417.14084	4.4
417.21286	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03176	0.7
57.03449	12.2
59.01386	9.6
64.91866	0.4
68.99811	0.7
71.01391	4.7
72.99294	2.0
73.02944	1.4
75.00873	2.5
80.44633	0.5
83.01394	2.7
84.02160	2.0
85.02956	100.0
86.03297	2.1
87.00893	1.5
89.02460	1.2
96.04563	0.4
96.96009	0.4
99.00909	0.9
101.02445	1.4
103.00390	1.7
111.00883	4.7
113.02468	0.7
115.00358	0.6
129.01949	9.3
130.08720	0.5
135.04532	0.5
147.03006	13.2
161.02377	0.5
173.00952	2.2
180.06689	1.6
181.12422	0.6
191.01993	32.3
192.02435	1.0
209.03004	1.2
214.19270	0.4
222.72598	0.4
225.11340	1.3
239.75868	0.5
293.13904	0.7
308.27585	0.4
357.19376	0.4
364.11850	0.5
371.14673	0.4
398.53271	0.5
399.13077	0.7
417.07693	1.7
417.14252	4.5
417.20853	1.0
418.14270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
59.01129	6.9
59.01386	89.6
61.43628	5.2
66.12528	4.9
69.44950	17.5
69.45358	10.3
71.01400	11.6
73.02944	6.5
83.05038	11.8
85.02954	20.0
86.88961	5.3
101.02448	10.7
111.04523	73.4
127.03990	7.2
131.38623	7.0
138.12704	5.7
138.45842	5.2
194.59999	5.7
219.77106	5.5
235.13292	7.2
247.13350	9.7
251.12944	14.4
261.14917	9.4
292.49637	5.8
345.17160	48.3
346.17474	7.6
363.18158	27.5
389.67297	5.7
417.16919	100.0
418.17093	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03464	1.7
59.01385	100.0
60.01718	1.1
61.73709	0.6
63.53031	0.6
69.65685	1.6
69.66022	1.3
71.01387	23.4
73.02954	4.6
78.03552	0.6
83.01418	2.1
85.02962	7.9
87.00895	1.8
89.02450	17.6
95.01424	1.4
97.86749	0.7
99.00922	1.8
101.02454	15.2
112.39333	0.6
113.02460	10.7
113.30274	0.6
114.02802	0.8
119.03516	8.1
123.04553	2.3
131.03505	1.5
133.02986	1.8
134.03732	0.7
135.04541	3.7
143.03546	1.9
147.02040	1.7
149.04576	0.8
159.03059	1.9
161.02519	5.8
161.04567	16.2
161.05876	1.1
171.10411	0.6
177.09238	5.2
179.03519	3.0
179.05602	3.2
190.07571	1.1
191.02010	0.9
195.10402	1.1
210.98389	0.9
211.62630	0.6
243.05602	2.3
254.03656	5.0
254.89116	0.7
285.06738	1.4
357.15573	17.5
358.16125	2.2
417.09485	6.6
417.18051	2.1
417.59665	1.3
418.20798	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.4
57.03448	14.2
58.51944	6.2
59.01389	100.0
61.98844	8.3
66.11198	6.3
69.38506	24.0
71.01382	70.0
72.99332	7.9
73.02937	13.5
83.01402	11.7
83.05032	7.5
85.02951	40.5
87.00896	8.8
89.02452	15.2
99.00887	15.5
101.02439	26.8
112.53804	6.9
112.98808	12.9
113.02471	15.3
121.02973	12.6
134.84236	7.0
142.99896	11.4
161.04605	25.2
173.00935	15.3
174.01695	36.1
175.02518	6.3
184.31909	7.1
188.13766	7.0
193.12480	9.0
197.27553	6.6
211.13370	18.0
217.90741	7.3
221.11964	8.0
299.16373	8.4
299.23984	7.1
301.20157	7.8
307.11612	10.0
343.15506	11.6
361.16391	10.4
367.14072	39.2
417.24957	8.3
418.26318	8.9
434.29031	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87898	1.1
55.01889	2.6
57.03454	1.6
59.01384	100.0
60.01714	1.8
61.98816	2.5
69.03474	1.5
69.13925	2.5
69.14332	3.6
71.01385	33.8
73.02950	16.2
83.01384	3.9
85.02959	17.8
87.00888	1.0
87.51131	1.1
89.02459	7.9
95.01392	1.6
99.00868	3.3
101.02448	25.1
111.08163	2.2
113.02459	15.7
119.03537	3.3
121.92677	1.0
129.01923	1.3
139.07680	17.7
143.03499	2.5
159.02991	4.1
161.04567	42.2
162.04857	2.5
173.08440	1.0
195.10258	4.5
205.51164	1.0
301.18073	1.2
345.17010	2.9
357.15533	19.8
358.15991	2.1
363.18152	1.5
399.16556	2.4
417.17557	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13733	1.2
59.01384	100.0
69.04097	4.4
69.04496	2.0
71.01387	15.4
73.02941	3.8
76.01106	1.0
83.93769	1.1
85.02961	3.6
89.02474	3.3
95.01419	1.3
101.02455	6.8
113.02452	3.7
115.00356	1.7
152.29955	1.0
161.04561	3.9
168.32619	1.0
276.83344	1.0
301.20224	4.2
417.24783	3.0
430.49872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79791	1.0
55.01875	1.4
57.03433	1.3
59.01387	100.0
60.01701	1.2
61.98820	1.7
69.03461	1.9
69.67527	4.1
71.01389	31.3
72.83121	1.0
72.99289	1.3
73.02952	31.2
78.91931	1.4
80.41797	1.1
83.01410	8.5
83.05014	1.0
85.02962	11.1
87.00884	3.2
89.02458	12.6
95.01373	2.0
97.02957	1.2
99.00879	2.0
101.02463	24.1
113.02471	11.5
119.03503	4.2
125.02464	1.6
137.43799	1.0
161.02414	1.8
161.04601	2.0
161.20244	1.1
195.13916	17.0
213.15009	9.7
216.46907	1.2
247.13432	1.6
301.20239	3.7
327.12405	1.5
355.99863	1.3
357.19223	19.6
358.19696	1.9
373.23477	1.4
375.20279	40.1
376.20663	3.1
417.21353	91.7
418.21646	10.5
418.26242	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32076	1.1
55.01873	1.1
56.09550	1.1
57.03431	2.3
58.93121	1.0
59.01384	100.0
60.01691	1.4
71.01388	33.1
73.02950	30.5
83.01391	5.6
85.02953	9.5
87.00892	3.1
88.69458	1.0
89.02444	11.4
93.40073	1.3
95.01390	2.3
99.00905	2.2
101.02452	21.2
101.15392	1.1
102.44775	1.3
110.68652	1.3
113.02450	9.8
115.02940	1.1
116.69330	1.0
119.03530	5.7
125.02448	1.6
135.04495	1.4
161.02477	1.4
161.04619	1.7
174.50259	1.1
191.54842	1.0
195.13954	15.2
197.15479	1.5
213.15004	10.6
228.80574	1.3
247.13301	1.6
254.55934	1.2
301.20236	4.6
316.80289	1.0
317.17349	1.1
357.19229	14.2
358.19443	2.3
375.20273	32.3
375.24768	2.3
376.20627	4.2
401.29254	1.3
417.21332	82.7
418.21637	8.3
418.26331	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
57.03453	5.5
58.00590	0.7
59.01384	78.4
60.01712	1.0
69.03471	1.2
69.05606	3.0
71.01386	100.0
72.01727	0.9
72.99313	1.2
73.02950	27.3
74.03300	0.4
75.00886	1.7
75.51989	0.4
75.85580	0.4
83.01391	10.8
84.02174	0.9
85.02956	37.9
86.00093	0.7
86.03293	1.0
87.00883	3.2
87.04533	1.9
89.02451	36.6
90.02775	0.7
95.01402	7.0
97.02929	2.3
98.02172	0.4
98.64591	0.4
99.00883	9.4
99.08397	0.4
101.02451	68.8
102.02784	1.2
113.02459	41.5
114.02788	0.7
115.04067	0.5
119.03513	16.3
125.02449	2.6
129.01994	1.5
131.03506	1.6
135.36562	0.4
143.03523	5.5
149.04578	1.3
159.03008	9.1
160.90649	0.4
161.04570	47.2
162.04921	1.5
179.05603	4.4
181.17690	0.5
205.03639	0.6
255.19647	2.7
417.24982	38.3
418.25375	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	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.6
57.03451	6.0
58.00586	1.3
59.01383	88.5
60.01710	1.0
69.03463	0.6
69.24769	2.6
71.01386	100.0
72.01725	1.6
72.99316	1.8
73.02950	26.5
75.00866	1.9
80.88501	0.6
83.01392	12.1
84.01695	0.6
84.02165	0.7
85.02956	42.4
86.03273	0.5
87.00874	3.7
87.04522	1.8
89.02451	38.0
95.01400	8.9
97.02958	1.5
99.00883	9.0
101.02451	68.5
102.02785	1.6
112.01717	0.9
113.02458	40.7
114.02798	1.3
119.03520	15.0
124.94376	0.5
125.02464	2.4
129.01970	1.3
131.03511	1.9
136.91542	0.5
143.03508	5.9
149.04594	1.6
159.03004	8.9
161.04572	46.5
162.04922	1.7
179.05618	4.7
198.43042	0.5
208.11519	0.5
216.44287	0.5
255.19627	2.7
412.02255	0.6
417.24982	36.9
418.25388	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	418.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01387	9.5
61.98834	100.0
65.70716	1.0
71.01393	6.9
71.41391	1.3
72.22511	1.1
72.99313	1.6
73.02966	2.0
85.02956	4.6
87.00888	3.0
89.02466	3.6
101.02447	4.4
113.02464	2.4
115.00380	1.7
117.92872	1.4
119.03535	1.5
125.09682	3.5
133.01428	1.2
137.02525	1.1
143.03484	1.4
153.09183	1.3
162.36594	1.1
165.01961	1.8
170.11873	1.3
179.07095	1.9
180.04221	1.3
187.09749	4.9
193.04996	1.6
197.08180	2.1
199.09766	1.4
236.95076	1.1
239.12865	2.1
255.08917	7.4
256.11850	1.3
256.15585	4.9
303.14380	1.2
312.88324	1.1
351.52423	1.2
418.20901	2.1
419.11102	1.6
437.79120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
58.66191	1.0
59.01381	5.0
61.98835	100.0
71.01374	1.7
72.99325	1.2
79.63528	1.0
83.63507	1.0
85.02962	4.7
86.35282	1.0
87.00872	1.3
105.01907	1.2
135.02998	1.9
147.03044	1.5
165.01918	1.3
191.02058	1.6
210.26949	1.0
211.79044	1.0
247.82925	1.0
259.19888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68513	1.0
59.01382	9.1
61.98852	1.4
69.69398	3.3
71.01392	4.8
79.67642	1.2
85.02962	4.7
89.02438	1.9
99.00898	1.7
101.02468	2.7
103.88037	1.2
113.02425	1.8
114.93439	1.7
133.02919	1.7
135.04517	5.4
147.04550	3.1
161.02437	3.6
175.03983	3.0
179.03490	7.1
184.08743	1.4
205.38852	1.1
212.08330	9.9
240.06532	4.5
241.07362	1.5
255.08888	100.0
256.09235	9.2
256.15411	1.6
333.08707	1.6
375.13263	1.8
397.24863	1.3
418.20862	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	419.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01387	4.8
61.33385	0.6
65.53519	0.6
69.79513	1.3
69.79850	0.9
71.01389	21.6
73.02946	1.0
75.49927	0.6
83.01386	4.4
85.02961	4.7
85.70440	0.5
89.02469	1.3
93.03446	0.6
95.01381	1.2
101.02477	0.9
109.02958	0.7
113.02449	1.1
115.00382	10.3
117.14659	0.5
121.91503	0.6
122.03799	0.7
132.05859	0.7
133.06613	0.8
133.23161	0.6
134.03770	1.9
135.04521	2.0
136.05296	1.8
146.03777	0.7
147.02905	0.8
147.04515	2.7
148.05321	1.1
149.06088	14.5
150.06412	0.8
157.06618	3.5
159.04515	1.1
160.05347	6.1
161.02469	2.1
162.02853	0.7
163.04005	1.0
171.08093	2.9
172.05295	0.7
173.06090	3.5
175.03978	1.8
176.04773	1.6
179.03569	1.4
183.08148	1.6
185.06105	1.7
186.06905	1.7
187.04074	0.8
187.07704	2.4
188.08418	1.3
191.01996	1.4
197.06125	0.7
198.06940	1.8
199.07629	3.3
200.08386	2.0
201.05571	6.8
201.09215	0.8
202.06282	2.8
213.09077	0.6
214.02733	2.2
215.07159	5.5
216.07947	5.7
226.06352	5.3
227.07150	4.9
229.05072	20.5
230.05269	1.4
241.08696	1.2
243.06621	1.3
244.07417	68.0
245.07722	5.9
259.09778	2.8
288.06451	4.5
303.08755	100.0
304.09125	8.4
335.89655	0.6
354.09515	0.8
419.22699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03452	10.9
59.01384	23.5
61.98827	0.9
69.03427	0.9
69.83933	2.5
71.01384	10.4
72.99322	1.5
73.02939	3.1
75.00873	1.2
83.01393	4.1
84.02158	1.7
85.02958	100.0
86.03297	2.8
87.00893	1.6
95.01413	1.5
99.00873	1.5
101.02454	5.4
103.00365	2.2
108.02186	24.6
109.02954	3.6
112.01665	1.5
113.02440	4.0
129.01950	7.3
133.02977	1.0
135.04491	2.6
147.03017	8.3
148.71065	0.8
160.01677	1.6
161.02420	2.2
168.06786	1.3
175.04065	1.0
177.03419	1.2
179.03548	1.9
183.13852	1.8
191.01990	32.3
192.02429	1.0
199.07678	1.1
209.03084	3.5
213.05580	1.0
215.07146	36.5
216.07431	3.1
227.12955	1.7
246.63226	0.9
251.05699	0.9
301.18143	0.8
303.21515	1.0
310.53427	0.7
325.98187	0.8
329.10410	1.5
357.80835	0.8
359.11392	37.2
360.11801	3.8
377.12448	38.2
378.12686	4.1
401.14545	1.5
409.17978	0.9
419.14642	3.5
419.21988	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	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01380	42.1
71.40199	7.5
72.99324	9.9
73.46658	5.8
83.05020	8.4
85.02953	26.4
87.00875	6.7
89.02449	59.0
89.74677	5.4
91.54885	5.9
92.76819	5.8
101.02454	23.4
113.02477	51.5
119.03526	14.5
128.34468	5.6
135.04556	22.5
149.07216	11.5
158.90778	6.6
161.02478	7.5
161.04759	7.4
179.03537	24.1
179.05695	14.8
197.08234	15.9
295.35159	6.4
419.15131	13.3
420.18863	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	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.52121	9.4
62.09116	9.5
71.01389	23.9
71.10976	10.9
85.02957	19.3
87.00880	19.3
92.84852	9.9
93.51394	8.8
98.21828	24.3
100.45797	9.0
101.02471	20.3
101.47408	10.1
115.59911	9.3
117.81827	11.8
135.04564	14.8
169.03207	10.7
171.10272	12.8
179.03494	13.5
257.08167	11.7
273.54355	11.1
315.14325	18.2
332.47864	9.1
333.15591	38.8
375.16669	84.1
381.42981	9.6
419.19016	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	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.52121	9.4
62.09116	9.5
71.01389	23.9
71.10976	10.9
85.02957	19.3
87.00880	19.3
92.84852	9.9
93.51394	8.8
98.21828	24.3
100.45797	9.0
101.02471	20.3
101.47408	10.1
115.59911	9.3
117.81827	11.8
135.04564	14.8
169.03207	10.7
171.10272	12.8
179.03494	13.5
257.08167	11.7
273.54355	11.1
315.14325	18.2
332.47864	9.1
333.15591	38.8
375.16669	84.1
381.42981	9.6
419.19016	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07371	0.3
59.01384	100.0
60.01722	1.0
69.43726	1.3
71.01405	0.8
73.02962	3.3
83.01398	0.5
90.73389	0.3
95.47346	0.3
101.02482	1.2
101.64461	0.3
106.62293	0.3
107.76157	0.3
155.10799	16.1
156.11150	1.0
168.10509	0.3
197.11858	0.5
225.47258	0.3
258.04773	0.4
432.84219	0.4
437.69324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01708	0.8
69.07169	1.4
69.07571	3.7
75.24183	0.7
77.03210	0.6
83.28597	0.7
87.00907	0.8
95.05018	1.2
103.01507	93.3
104.01852	0.9
125.87352	2.0
126.88112	2.6
127.87077	3.2
128.87834	5.3
132.20964	0.7
246.12285	0.7
278.11386	1.5
288.10977	1.3
293.21292	2.0
313.03067	3.3
313.66669	0.7
314.03271	1.9
315.02682	2.5
316.41687	0.8
335.10892	0.7
349.00601	1.0
350.00919	5.7
351.00369	11.2
360.25229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	5.9
110.98535	5.7
167.01166	3.6
185.02237	2.9
213.90425	0.9
217.45029	0.9
251.20172	100.0
252.20476	8.2
414.27554	1.0
419.22141	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.42654	10.9
69.12495	59.1
71.01420	11.1
72.99320	21.0
87.95539	11.1
160.05392	10.8
164.05676	10.8
254.85732	15.2
313.14621	16.4
329.13983	12.9
336.93890	11.5
337.23792	42.1
347.18692	14.0
358.27362	13.9
389.16312	16.9
419.17096	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	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68838	5.4
59.01377	11.0
61.98835	6.8
71.39337	6.6
85.49406	5.2
120.52936	6.3
125.09763	14.6
129.57141	7.0
132.33345	5.7
180.12907	6.2
187.15005	12.6
199.11340	5.9
209.11832	9.4
231.13933	29.5
245.02832	9.1
249.14998	11.7
401.23349	100.0
402.23477	13.4
419.24371	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	26.9
63.97884	20.5
69.09736	54.7
69.10155	100.0
87.76643	20.5
137.09789	21.0
207.62074	22.8
208.96762	24.7
211.67648	23.8
254.76158	34.5
419.24768	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	419.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55285	0.3
57.03439	0.6
59.01373	1.5
61.98822	1.1
71.39230	0.3
80.03700	0.3
81.65355	0.3
85.02945	0.4
94.43672	0.3
98.99721	0.3
112.37947	0.3
125.02361	0.4
133.73578	0.3
188.98087	0.3
221.15489	1.0
233.57089	0.3
247.20689	0.6
259.13345	0.4
259.20697	0.6
301.21634	1.9
307.22739	3.1
308.22943	0.5
313.48502	0.4
319.22760	5.0
320.23282	0.5
337.23865	100.0
338.24207	12.5
338.28375	0.5
347.18735	0.5
359.20715	0.4
419.24179	27.7
420.19321	0.5
420.24469	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	420.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03489	4.8
59.01385	100.0
61.98835	4.1
71.01396	33.0
71.39635	5.1
73.02954	6.1
75.00874	11.9
81.67284	4.6
83.05076	4.7
85.02964	15.8
89.02460	39.0
95.05063	5.1
97.02937	6.1
99.00851	5.3
101.02454	16.7
111.04524	8.7
111.89392	4.1
113.02454	26.8
119.03493	13.0
123.04556	6.2
125.00723	6.7
131.03476	4.4
135.04628	7.0
139.04033	16.5
141.05554	5.8
143.03520	4.2
151.07655	5.0
153.00174	15.7
154.00987	4.9
161.04626	9.7
171.01205	33.0
171.06622	6.2
177.56010	4.7
179.05612	16.7
179.07207	13.1
181.05193	4.2
181.08736	13.0
191.02028	5.5
197.08154	26.9
215.09251	23.5
237.13033	4.8
253.56175	3.7
332.36325	4.2
333.06693	5.4
361.15045	4.6
377.14609	57.4
421.08521	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	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40228	0.4
54.59825	0.4
58.02980	8.8
59.01383	2.2
71.01424	1.3
72.00917	3.3
73.02961	0.6
73.04072	6.8
82.06672	1.7
83.02589	0.4
85.03003	1.6
85.80627	0.4
89.02453	0.6
91.05539	7.6
91.06055	0.5
97.04125	1.3
98.02477	3.4
101.02488	1.0
108.08244	1.2
111.04443	0.5
112.07744	0.9
115.05142	5.1
116.03587	0.9
118.06720	0.8
126.09276	0.9
129.10353	14.8
130.10707	0.4
139.08830	0.9
141.10318	2.2
143.11995	1.7
146.59100	0.4
147.04530	15.2
148.04948	1.1
151.08760	1.9
152.07181	8.5
153.05525	1.0
153.07637	0.4
155.08371	1.9
164.07176	40.3
165.07567	1.8
168.11441	16.8
169.09894	1.7
169.11824	0.5
182.37383	0.5
185.12956	0.7
186.12483	33.2
187.12856	1.1
196.09900	1.2
202.07535	0.6
210.12491	20.1
211.10974	3.5
211.12621	0.7
214.11519	0.4
228.13504	3.4
233.16626	9.7
234.16959	0.9
242.12143	0.5
259.14703	0.6
277.15549	6.0
278.15848	0.8
283.39285	0.4
290.18741	8.7
291.19165	0.6
292.23657	0.4
315.78909	0.4
332.19775	4.3
333.20154	0.7
376.18781	100.0
377.19135	11.8
402.20386	1.0
420.21402	15.3
421.21579	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	421.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80688	1.4
59.01383	100.0
70.56054	1.5
71.01395	11.1
72.99326	1.7
78.10943	1.1
78.56281	1.6
85.02943	3.8
89.02440	9.0
97.02986	2.7
99.00868	2.2
101.02445	6.0
101.70802	1.3
110.06709	1.3
113.02460	5.4
119.03493	4.9
119.05014	1.5
123.04543	2.2
125.02425	2.5
126.06718	1.3
127.04024	2.5
135.04509	3.5
137.02527	2.9
138.23607	1.3
151.03983	5.3
152.30592	1.3
153.05560	2.6
161.04619	2.5
163.04088	1.9
165.74722	1.4
169.05083	3.3
177.05605	2.3
181.05040	10.5
199.06105	7.0
223.06091	2.4
278.94986	1.5
361.11359	20.9
362.11691	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	421.1508
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
53.64749	0.4
55.01878	0.9
59.01387	3.1
61.72306	0.4
71.01408	2.7
73.02956	1.4
81.03461	7.2
83.05034	0.9
85.02943	1.6
89.02451	0.6
99.60133	0.4
101.02446	1.4
107.05042	0.9
108.02187	0.4
108.48988	0.4
109.02949	1.9
113.02472	1.7
121.02956	1.5
121.06638	0.9
122.03739	6.1
123.04528	1.8
125.02432	2.8
131.03540	0.5
133.02917	0.6
133.06616	4.0
134.03745	10.0
135.04538	7.2
136.04906	0.9
137.06105	7.2
147.04526	0.9
148.05328	2.0
149.06093	47.6
150.06364	1.9
159.04500	0.8
160.05315	0.6
161.02458	1.8
161.04572	0.8
161.05956	0.5
162.03172	1.5
163.03972	0.6
164.04718	0.7
170.07477	0.4
171.08147	1.0
172.05325	0.9
172.24957	0.4
173.06053	1.9
174.06889	2.4
175.04018	1.2
176.04762	1.5
177.05583	19.2
178.05946	1.1
179.03470	1.7
185.08131	1.0
185.09706	0.7
186.06924	0.8
187.07625	2.3
189.05576	1.6
189.09236	0.9
191.05676	0.5
194.34326	0.5
197.06104	0.8
198.06898	0.9
199.07678	0.9
200.04747	0.7
201.05544	1.2
201.09161	2.2
202.06308	0.8
212.08377	0.8
213.09222	1.5
215.07101	4.9
216.07970	0.8
225.05598	1.0
226.06288	2.5
228.04320	7.2
229.05113	0.9
229.08772	0.9
230.09439	1.7
231.10310	1.9
239.07138	0.6
240.07835	1.4
241.08739	5.5
242.05814	0.5
242.09120	0.8
243.06630	33.5
244.07225	5.5
257.08246	1.0
258.08975	100.0
259.09723	77.3
260.10110	6.5
271.09763	2.2
280.91251	0.4
284.09042	0.8
301.10754	1.6
326.43823	0.4
332.60440	0.4
336.60373	0.4
398.62393	1.8
421.14883	7.8
422.15591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1509
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
57.03462	1.5
59.01386	100.0
63.64567	1.0
69.18692	4.5
69.19102	2.4
71.01395	6.3
73.02956	1.8
76.04525	1.2
83.01360	1.0
83.05084	1.1
85.02963	4.6
89.02466	2.4
93.58705	1.1
101.02460	3.8
109.02972	12.1
112.58065	1.3
113.02457	3.4
116.33197	0.9
121.06587	1.6
121.66930	1.1
122.03759	3.7
123.04454	1.3
129.01904	1.2
133.06639	1.2
134.03700	1.8
135.04530	3.4
137.06128	1.2
138.50026	1.0
146.03786	1.2
147.04527	9.4
148.05325	3.0
149.06082	5.2
153.71599	1.1
157.06602	1.0
161.02457	1.8
161.04543	3.3
161.06078	1.6
162.03249	7.0
163.03972	2.0
169.06630	3.1
171.08115	1.3
172.05464	2.1
173.06085	1.9
175.04022	17.2
176.04794	14.1
177.05652	5.2
181.06580	2.1
182.07408	1.5
184.09016	2.2
185.06151	1.1
185.09700	1.5
189.05595	1.7
195.08148	2.3
197.05989	1.1
197.09850	4.9
198.06847	2.8
199.07642	3.7
201.05418	1.0
201.69229	1.3
202.10075	1.6
203.10754	1.3
204.04300	5.8
211.07622	1.5
212.08459	12.1
213.09221	12.0
214.09972	1.1
215.07286	1.8
215.10817	3.5
217.05026	1.9
223.07654	15.9
224.08086	2.4
225.05518	2.1
226.04242	2.1
226.06384	27.4
227.06905	5.5
230.09358	2.3
231.10324	10.1
240.07918	24.2
241.08725	95.3
242.09085	8.9
244.07419	2.1
258.08990	79.1
259.09753	84.6
259.19168	1.5
260.10080	7.5
271.09766	2.8
289.16608	5.0
305.17587	1.9
421.09964	2.0
421.14972	21.5
421.24365	3.5
422.15463	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	421.151
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
57.03433	0.5
59.01377	2.1
69.69497	0.7
71.01373	1.3
73.02931	0.4
80.02678	1.0
81.75261	0.3
83.05026	0.4
85.02938	1.0
89.02435	0.7
93.03423	0.5
95.05036	7.9
96.96025	0.4
101.02406	0.4
101.41457	0.4
102.98644	0.4
107.05039	2.8
107.13963	0.3
115.00409	0.6
121.06599	0.8
131.05032	2.3
133.06606	15.6
134.07001	0.5
135.04469	0.5
147.04561	0.4
159.04529	6.7
173.09732	1.3
187.11270	0.4
197.09825	0.5
208.87097	0.4
215.10776	100.0
216.11111	8.3
259.09787	0.7
269.57053	0.4
305.01453	0.4
305.17578	2.1
313.84607	0.4
314.53397	0.4
404.13992	0.4
421.24011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1509
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
57.88818	1.0
59.01388	6.4
66.78069	0.8
71.01377	2.8
71.22935	1.9
73.46563	1.0
81.03474	1.6
85.02955	2.3
86.75677	0.9
93.03455	0.9
97.02998	1.0
101.02455	1.0
109.02956	1.1
119.82980	0.9
121.02966	1.6
123.04529	3.1
133.06573	1.6
135.04529	1.2
147.04477	3.0
148.05275	3.1
149.06087	5.3
162.03224	1.3
163.03992	3.2
169.10222	6.3
171.08133	1.7
172.05292	1.7
175.04025	4.6
176.04791	1.1
177.05568	7.2
182.07391	1.5
185.09717	1.6
197.09712	3.5
198.06895	8.2
199.07561	3.2
203.10835	5.6
212.08357	1.6
213.09204	17.5
215.10828	7.5
216.07909	1.4
218.69452	1.0
223.07616	2.6
225.05669	2.6
226.06390	19.0
227.06895	1.2
229.08649	1.4
231.10286	19.3
241.08723	100.0
242.09003	6.8
251.31038	1.0
257.08206	2.0
258.08865	3.6
259.09766	78.5
260.10034	5.5
310.04620	1.1
393.15430	3.2
403.14185	2.4
421.15067	27.1
421.24030	3.0
422.15253	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	421.1558
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
50.30238	35.1
59.01366	52.4
61.31456	31.2
62.23286	30.5
64.60281	37.3
67.85696	31.0
70.06551	45.3
70.06875	69.7
76.27467	31.6
119.43155	33.7
163.11336	59.9
223.57350	33.7
232.16446	31.8
238.57971	36.8
244.88736	34.7
249.07581	46.4
264.10013	51.4
279.12503	69.1
281.78427	36.0
323.22150	48.2
389.16483	51.9
421.15271	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	15.8
59.01375	23.5
59.48114	6.1
71.01402	17.2
71.30106	5.8
71.37983	5.7
85.02958	100.0
92.02446	5.7
107.03763	5.7
108.02184	17.7
110.89947	5.8
160.44656	6.0
173.10123	13.1
191.01973	41.5
264.03018	6.8
273.38730	6.9
305.10706	27.0
421.10559	9.7
421.16357	73.2
422.11545	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	421.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55207	1.4
57.03449	3.2
58.02972	1.5
59.01386	1.9
69.84637	2.2
69.84959	3.2
70.02985	12.5
71.05016	16.8
87.05650	5.1
98.22029	2.3
99.04520	5.5
107.94584	1.7
116.07177	3.4
116.46554	1.4
130.03354	8.6
146.08249	78.9
147.06001	3.7
147.08641	3.7
217.11961	17.5
225.82341	1.5
277.12296	100.0
278.12613	5.1
372.78769	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	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80782	0.7
57.03456	2.5
59.01384	100.0
69.03471	1.9
69.31897	3.4
71.01391	6.3
73.02963	0.8
79.03204	0.7
81.03454	1.0
83.05074	0.7
85.02961	1.9
89.02447	7.6
97.02955	12.3
101.02482	3.3
106.99229	0.7
113.02464	2.5
119.03528	2.4
121.06628	1.3
123.04546	2.7
135.08174	3.6
141.05589	6.6
143.03511	1.2
161.04588	4.2
163.07651	10.6
179.05542	3.9
181.08714	13.7
181.10196	0.8
191.05788	1.1
199.09805	2.8
200.58374	0.7
210.69815	0.7
224.42674	0.7
248.98480	1.0
361.14978	6.6
362.15668	0.8
427.18671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83367	2.1
59.01385	100.0
61.98840	8.2
68.87723	2.0
69.87260	9.0
71.01382	13.1
71.91396	2.0
85.02947	5.3
89.02447	6.1
93.03432	3.8
97.06586	2.8
101.02451	6.2
111.04527	3.2
113.02469	5.0
119.03524	5.4
124.18664	2.1
135.08138	3.3
137.06055	2.7
137.09709	11.6
139.07655	2.2
161.04555	12.5
163.07655	2.6
181.08774	11.2
199.09758	63.7
200.10109	5.0
200.78058	2.3
306.07672	7.2
361.15109	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	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95658	0.8
57.03445	2.4
58.16235	0.9
59.01384	100.0
61.98840	11.4
69.49219	2.9
71.01389	15.0
73.02954	1.4
74.02467	1.4
81.03458	1.3
85.02953	3.3
89.02455	10.1
95.05025	3.1
97.02955	2.9
97.06577	2.4
99.04517	4.0
101.02445	4.8
113.02436	4.4
113.06102	5.8
119.03495	4.6
123.04528	3.4
125.06052	1.7
128.03551	3.0
141.05554	2.8
143.03494	1.5
143.04637	3.3
150.69568	0.9
155.07162	33.4
156.07503	1.7
161.04529	1.4
163.07645	2.3
179.05656	5.1
181.08725	13.2
199.09773	40.0
200.10112	2.6
272.08817	2.0
305.10733	1.2
306.07794	4.7
361.15085	9.2
363.75156	1.1
393.35376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18612	0.7
56.85758	0.8
57.03452	2.0
59.01384	100.0
61.66055	0.8
61.98838	1.3
66.37312	0.8
66.72598	0.8
69.60542	0.7
69.80065	2.9
71.01395	8.1
71.38902	0.8
73.02930	1.2
75.00884	2.2
81.03464	1.0
83.05031	1.3
85.02943	2.3
89.02454	10.2
96.64429	0.9
97.02961	11.6
99.00907	0.8
101.02429	4.3
113.02443	2.8
119.03514	3.4
121.06596	1.2
123.04517	2.0
135.04509	0.9
135.08206	4.2
141.05600	7.9
142.71344	0.9
143.03516	1.3
153.00177	1.5
161.04585	5.8
163.07640	8.8
171.01205	4.1
172.40178	0.9
179.05621	6.7
181.08722	17.3
191.01888	1.1
191.05656	1.1
199.09753	5.7
248.98586	1.1
334.73120	1.1
337.94733	1.0
355.76782	0.8
361.10992	1.3
361.15073	8.7
375.06903	1.2
419.66574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.5
59.01384	6.5
59.39919	0.5
61.98839	4.7
64.46911	0.5
69.03456	1.9
69.21236	1.4
69.21645	1.7
71.01389	4.1
73.02937	1.6
80.74863	0.6
81.03454	0.8
81.07067	0.7
83.05038	1.2
85.02964	3.5
88.07969	0.6
89.02436	2.2
93.03468	0.6
95.05040	1.0
101.02428	3.6
102.06370	0.6
105.07084	1.1
107.05014	0.7
108.85233	0.7
113.02452	1.7
121.06581	2.9
123.08174	37.8
124.08504	1.6
125.02435	0.7
135.04536	2.2
140.91428	0.6
141.08163	1.2
141.09235	24.1
142.09525	1.5
149.06094	1.4
161.02440	1.0
161.04559	0.6
167.06027	0.7
167.07161	8.1
179.03528	2.5
180.04013	0.7
185.08202	90.4
186.08540	4.4
243.06534	1.1
253.09291	1.3
258.09039	1.6
259.09775	2.2
259.11954	1.6
278.95850	0.6
398.62271	2.0
399.12567	0.6
421.17191	100.0
422.17490	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	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03173	0.8
57.03453	13.9
59.01381	9.7
60.19035	0.5
68.99821	0.6
69.02959	1.0
69.03368	2.5
71.01398	4.3
72.99319	1.2
73.02955	2.1
75.00877	1.7
83.01382	2.5
84.02182	1.9
85.02958	100.0
86.03308	2.1
86.42197	0.4
87.00880	1.5
87.48785	0.4
89.02449	1.4
93.83263	0.4
98.22714	0.9
99.00883	0.6
99.04466	0.4
101.02453	1.3
103.00378	1.9
109.04134	0.5
111.00900	4.8
115.00377	0.9
129.01956	8.9
133.01447	0.5
147.03011	10.8
155.10809	1.6
171.34196	0.5
173.00826	2.1
191.01991	38.0
192.02370	1.5
199.09883	0.8
209.03067	1.8
217.10786	1.2
229.14421	2.9
231.55231	0.5
259.11929	1.6
305.16144	0.5
421.17303	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	421.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37403	1.2
53.12879	0.9
58.34628	0.9
59.01383	100.0
60.01707	1.5
61.44659	0.9
68.93112	1.0
69.03446	2.5
69.34682	5.6
71.05037	2.2
75.96809	1.0
77.35569	0.9
78.25007	1.0
81.03439	1.2
83.05030	17.3
97.06581	2.1
109.02996	1.2
123.08163	2.8
125.06074	1.8
127.04092	1.1
135.08147	1.9
137.09738	3.2
139.07634	2.0
141.09239	1.3
151.11336	1.8
163.07605	1.5
165.09262	1.4
173.73375	1.1
177.09161	2.3
201.09248	2.2
203.10814	1.2
207.13882	2.7
217.08611	1.3
218.09543	2.4
219.10283	3.1
229.08652	2.8
230.09111	1.0
231.10251	1.5
232.11069	2.1
244.11125	4.8
245.11833	7.4
246.12498	1.9
247.13423	18.0
251.12840	1.5
254.09470	1.6
255.10233	2.4
257.08066	1.4
259.13419	9.1
261.14914	2.2
269.11826	2.9
272.10535	4.3
273.11169	1.3
274.15683	1.5
281.15347	1.5
284.14182	6.0
287.12918	6.4
288.13577	4.1
299.16562	25.0
300.16760	1.8
302.15256	17.5
303.15588	2.6
305.10773	1.2
305.13986	13.9
306.14392	1.3
317.17584	19.0
318.17825	2.6
361.16571	1.6
377.19403	1.7
421.18805	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	421.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25389	0.9
55.01881	1.7
57.03459	1.2
59.01385	93.2
61.98834	3.8
65.03963	3.0
69.03461	9.2
71.01379	2.4
71.05027	3.0
73.02952	3.2
74.36322	1.1
79.98003	1.0
81.03468	6.7
83.05034	43.1
85.06588	3.2
95.05032	3.0
96.64226	0.8
97.06579	5.9
98.21849	1.7
99.00882	1.1
99.04522	2.8
101.02472	1.1
107.05044	1.8
108.02193	2.4
109.02955	6.2
109.06606	2.7
110.03773	2.7
111.08231	1.1
113.02449	2.6
117.69060	0.9
121.06644	1.6
123.08157	7.7
125.06096	3.5
125.09731	5.5
127.04038	12.2
135.04527	1.2
135.08167	2.6
137.06111	3.1
137.09717	4.0
138.11493	1.1
139.07574	1.7
140.00847	0.9
141.09241	1.8
143.25755	0.9
147.08168	1.1
149.06128	1.4
149.09709	1.6
150.06862	1.6
151.07614	4.0
151.11256	2.2
157.37711	1.0
161.06125	2.4
163.07684	5.1
164.08372	1.0
165.09259	3.0
173.09804	1.4
175.07762	1.1
177.09132	2.3
191.10843	1.6
193.08749	1.3
196.50423	1.0
201.09221	6.7
204.07961	1.3
207.13910	8.5
217.12402	1.3
219.10213	2.9
219.13889	1.2
228.87852	1.1
231.10182	1.2
233.11830	1.9
235.13493	1.7
240.07964	5.4
240.11491	1.0
241.12453	2.4
243.10175	1.2
243.13930	3.2
244.10861	1.0
245.11906	1.3
247.13423	1.9
249.14928	1.5
251.12903	1.7
254.09312	1.6
255.10284	16.2
255.13821	2.8
256.10803	1.5
256.14539	1.9
258.12549	2.8
259.13330	2.7
261.14975	10.3
269.11874	8.5
271.16992	1.3
273.14990	4.7
281.15564	1.3
283.13336	1.6
284.14200	37.1
285.14526	4.2
287.13004	1.6
287.16492	1.9
288.13693	2.5
293.13943	1.6
299.16559	100.0
300.16846	9.4
302.15192	3.8
305.13806	1.5
317.17587	13.3
318.17764	1.1
343.15479	6.2
344.16010	1.4
359.18640	1.5
361.16592	13.6
379.17413	1.5
389.96411	1.0
403.17490	3.9
421.18839	14.1
421.23962	0.9
422.18942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07013	1.3
55.01889	2.1
59.01384	73.7
65.03977	3.0
65.40656	1.3
69.03465	12.0
69.98395	4.4
71.05018	2.0
81.03465	8.4
83.05031	39.5
85.06609	2.3
90.46364	1.7
95.05035	1.8
95.80785	1.4
97.06609	5.6
99.04556	1.5
108.02231	3.6
109.02952	6.1
109.06572	1.6
110.03737	1.9
113.02470	1.8
123.08188	4.8
125.06078	1.6
125.09757	6.9
127.04002	12.0
137.06105	3.5
137.09767	3.3
139.07680	2.0
149.06158	1.6
150.06898	2.3
151.07666	5.8
163.07648	4.7
165.09291	1.5
175.07669	1.6
201.09242	6.2
207.13853	7.1
212.31906	1.5
219.10262	2.5
221.71275	1.4
226.09972	2.3
240.07877	8.6
240.11584	1.9
241.12381	2.4
243.10117	2.0
243.13913	4.7
251.12830	2.4
255.10286	19.2
255.13855	5.1
256.10635	2.2
258.12628	2.1
261.14972	9.0
269.11874	8.3
272.54926	1.6
273.14923	5.5
284.14212	40.8
285.14493	4.1
288.13593	2.1
293.13776	2.3
299.16550	100.0
300.16949	9.1
317.17673	12.0
343.15622	1.9
359.18796	2.4
361.16641	11.1
377.16037	2.1
403.17557	3.1
421.18814	9.6
448.54648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99978	0.9
54.78761	1.0
55.01863	1.7
57.45124	1.2
59.01382	59.6
65.03944	3.3
69.03459	9.6
71.05024	2.7
73.02952	1.9
81.03459	7.8
83.05034	32.7
83.84821	1.2
85.06607	1.5
93.07105	1.6
97.06593	4.2
108.02193	2.9
109.02951	4.4
109.06577	2.2
110.03748	1.3
111.08154	1.2
113.02413	2.1
122.06069	1.0
123.08160	3.2
125.06078	2.6
125.09726	6.4
127.04010	11.6
135.08177	3.8
137.06117	2.3
137.09727	2.9
139.07639	1.8
141.09254	1.1
149.06142	1.4
150.06894	1.4
151.07625	4.9
151.11317	1.1
157.06531	1.3
163.07668	4.8
165.09174	1.3
175.07610	1.9
177.09276	1.4
201.09145	5.3
207.13811	4.2
219.10286	4.4
226.10075	1.2
233.11853	1.9
240.07936	7.2
240.11633	1.6
241.12418	2.6
243.13898	3.8
245.15572	1.4
246.12488	1.2
251.13037	2.7
255.10306	18.6
255.13741	2.1
256.10526	1.9
258.12650	2.9
261.14996	9.4
269.11795	7.7
273.14987	5.4
284.14212	39.2
285.14502	3.2
288.13983	1.2
290.91492	1.0
293.13947	3.5
299.16547	100.0
300.16840	9.6
302.15192	1.6
313.03061	1.3
317.17557	13.5
318.17493	1.6
343.15515	1.6
359.18643	2.6
361.16544	9.5
362.16647	1.1
403.17514	3.2
421.18811	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	421.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97145	0.6
55.01878	1.4
55.60652	0.6
57.55935	0.6
59.01382	69.2
65.03958	2.4
69.03461	11.5
69.69397	1.7
69.69771	1.2
71.05021	2.5
73.02943	2.0
81.03463	6.4
83.05032	33.0
84.05370	1.0
85.06606	1.6
95.05009	2.3
97.06604	4.8
99.04520	1.2
107.05042	1.9
108.02187	3.0
109.02972	4.2
109.06593	2.2
110.03696	2.1
113.02451	2.7
121.06584	2.0
123.08150	5.0
125.06096	3.9
125.09740	6.6
127.04026	12.1
133.06584	1.1
134.56702	0.7
135.04504	1.3
135.08186	2.7
137.06100	3.0
137.09705	3.1
139.07669	3.0
145.06601	1.3
147.08160	1.0
149.09731	1.3
150.06865	1.3
151.07713	3.7
151.11285	1.8
159.02997	0.8
161.06062	1.9
163.07672	4.3
163.08896	0.8
165.09193	3.1
173.09755	1.5
175.07660	2.3
177.09190	2.1
200.08441	1.2
201.09206	6.3
202.10022	0.9
207.13875	5.1
217.12387	1.1
219.10309	4.4
231.10297	0.9
231.13885	0.9
233.11903	1.7
235.13617	0.9
240.07898	3.9
240.11609	1.5
241.12317	2.2
243.10223	1.0
243.14015	3.4
245.11635	0.9
251.12842	1.3
255.10269	21.4
255.13933	3.7
256.10812	1.2
258.12607	2.8
259.13281	1.1
261.14975	12.5
262.15396	1.0
269.11948	7.4
269.14841	1.2
271.17151	1.7
272.10724	1.3
273.14996	4.3
273.18472	0.8
281.15573	1.4
284.14188	40.1
285.14569	3.2
287.12943	2.1
288.13571	1.8
293.13937	3.7
299.16534	100.0
300.16937	9.6
302.15228	2.1
305.14053	1.7
317.17557	13.4
318.18027	1.6
322.33423	0.8
333.17233	1.2
343.15582	2.2
359.18695	1.6
361.16586	9.0
362.16931	1.2
377.15927	1.5
403.17798	3.6
421.18671	10.4
422.19119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00475	0.3
55.01880	6.8
56.02176	0.3
56.99844	0.4
57.03455	6.1
58.00597	0.6
59.01382	44.4
60.01742	0.3
60.99329	0.3
68.99812	0.4
69.03439	1.5
69.25318	0.6
69.25700	0.8
71.01385	100.0
71.05027	0.7
72.01732	1.1
72.99309	1.4
73.02951	34.6
74.03288	0.8
75.00878	1.9
81.03468	0.8
83.01392	14.4
84.01732	0.3
84.02175	0.5
85.02956	49.3
86.00107	0.4
86.03300	1.0
87.00877	3.1
89.02448	14.5
89.75111	0.3
95.01398	7.7
97.02964	3.6
99.00887	13.0
99.04519	0.4
100.01721	0.4
101.02449	65.8
102.02810	1.1
102.34590	0.3
111.00890	0.9
113.02458	37.1
114.02779	1.3
119.03498	1.1
125.02440	3.9
127.11289	2.7
129.01952	2.1
131.03520	2.3
143.03520	4.4
149.04594	1.4
159.02995	8.8
161.04568	54.7
162.04886	2.0
167.10762	0.4
191.05589	0.8
193.12352	0.7
205.03613	0.4
211.13327	0.5
213.02429	0.4
233.06657	1.1
252.95465	0.3
289.16577	81.1
290.16922	6.7
290.19986	0.2
293.08972	0.4
393.07004	0.3
421.20789	8.8
422.21323	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24575	0.5
59.01383	100.0
60.01723	1.2
71.01372	3.0
73.02959	1.1
80.91669	0.5
83.01406	0.7
85.02962	2.0
89.02460	0.9
101.02472	1.4
108.13165	0.5
108.46792	0.5
109.02967	4.6
113.02486	1.2
121.06637	1.9
127.04050	2.0
127.11286	0.5
135.04492	0.8
137.06123	0.5
147.04523	3.0
148.05403	1.0
149.06148	2.1
157.12411	0.7
161.04610	0.7
161.06122	0.6
162.03275	1.3
169.10278	0.8
175.03999	3.8
176.04840	2.1
177.05484	0.8
184.08992	0.9
185.06096	0.5
185.09741	0.6
189.05698	0.6
195.08209	1.9
197.09833	1.0
197.63011	0.5
198.06880	1.0
199.07713	0.9
202.10010	0.7
203.10837	0.5
204.04442	1.7
212.08507	2.2
213.09200	8.3
215.07254	0.6
215.10846	1.2
217.05119	0.8
217.08908	0.5
223.07674	3.3
225.05493	0.6
226.06367	4.5
226.08064	0.4
227.07146	1.2
229.08699	0.6
230.09576	0.7
231.10226	5.3
240.07956	5.0
241.08719	25.0
242.09137	2.1
258.08966	14.0
258.11594	0.8
259.09756	19.1
259.19293	0.8
260.10214	1.8
271.09692	0.6
289.16760	1.1
308.32678	0.6
359.33954	0.6
421.14880	5.3
421.24539	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84092	0.4
59.01353	0.4
69.29177	2.2
70.51287	0.4
78.95909	11.2
80.96535	1.0
82.87083	0.4
94.87669	0.4
102.06762	0.4
110.97758	0.4
110.98548	7.7
152.99562	0.8
167.01154	9.2
185.02202	3.6
253.21742	100.0
254.22069	10.0
303.97537	0.4
309.38422	0.5
421.23645	12.0
422.23907	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29903	0.4
54.95371	0.4
58.36368	0.3
66.91674	0.4
70.71878	0.5
78.95910	10.1
80.75381	0.4
80.96543	0.8
81.03644	0.4
94.99125	0.5
108.22254	0.4
110.97836	0.7
110.98542	7.9
117.14144	0.4
139.46307	0.3
152.99609	0.5
167.01155	6.9
185.02213	3.4
235.94711	0.4
253.21750	100.0
254.22118	9.0
361.29874	0.4
374.40988	0.4
421.23602	10.3
422.23993	1.6
433.23654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07626	3.9
78.95909	33.4
80.96526	23.6
85.21735	4.1
85.43993	3.4
110.97818	7.2
110.98534	53.8
152.99573	5.1
154.92329	3.5
185.02208	100.0
253.21684	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	421.2599
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03446	1.7
58.21011	0.8
59.01390	4.9
60.17343	0.8
69.03442	0.9
69.30669	3.2
71.01371	0.8
71.05028	1.0
71.97849	0.7
81.03455	1.0
83.05029	6.7
83.47910	0.7
85.06586	2.3
91.98901	0.6
95.04975	0.8
97.06592	2.6
98.21925	1.3
99.62122	0.8
105.07162	0.7
107.05027	0.8
107.08663	1.2
109.06569	1.5
111.08138	2.5
119.05061	1.5
121.10297	0.7
123.08176	1.7
125.09733	8.8
133.06589	0.8
137.09697	1.1
151.11276	1.0
163.11304	1.3
163.67236	0.6
171.10278	21.7
172.10695	0.9
173.01118	0.7
183.13902	0.9
187.14908	1.4
189.16544	1.4
201.14848	0.7
203.14078	0.7
205.15965	4.0
209.11807	2.8
210.14493	0.7
211.13376	5.5
215.14410	2.2
219.10365	0.9
219.13760	0.8
221.15494	2.1
231.13895	2.6
233.15472	31.0
234.15810	2.2
239.16499	0.9
247.56569	0.9
249.14984	11.9
250.15285	1.0
251.16527	2.5
252.13811	0.9
257.17679	2.1
281.02496	0.7
283.19119	0.9
331.26498	1.5
333.28445	0.8
341.24863	3.1
359.25897	1.6
366.06735	0.7
367.22626	1.2
369.31085	0.7
371.10883	0.9
375.25500	2.1
377.27051	3.0
385.23865	6.8
386.24368	1.2
393.26456	1.8
403.24905	57.5
404.25159	8.2
421.25983	100.0
422.26282	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	422.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30848	0.9
53.23806	1.0
57.03468	1.2
59.01379	30.9
60.01719	3.3
61.98833	100.0
69.18070	3.5
69.18461	2.2
69.32703	1.1
71.01388	4.7
85.02951	3.4
89.02460	3.0
97.02946	2.4
98.03326	1.3
101.02409	2.3
112.14153	1.0
113.02456	1.4
119.03504	1.1
141.05614	1.8
161.04521	1.7
163.07706	2.2
169.24519	1.1
181.08644	2.2
182.08994	2.1
191.02007	1.9
198.00879	1.3
207.77661	1.1
361.14835	1.6
414.10165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	0.8
58.86062	0.5
59.01381	9.0
60.01697	0.6
61.98836	100.0
69.17104	1.5
69.17520	2.5
71.01392	2.1
74.02487	1.3
85.02961	1.1
86.02464	0.6
89.02481	1.9
95.01442	0.7
99.05663	1.9
101.02467	1.1
113.02470	1.1
119.03556	0.8
124.53384	0.5
128.03555	3.1
131.66936	0.6
139.31316	0.6
143.04617	5.0
143.80168	0.6
155.07126	1.0
156.07561	0.6
160.00771	1.2
179.04578	0.9
199.09857	1.8
200.10191	1.2
201.11290	0.8
210.08809	1.0
254.07924	1.0
272.09076	2.8
301.68958	0.8
306.07672	9.5
363.16663	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	422.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97594	3.6
52.36347	3.4
57.03453	4.4
58.02984	6.5
59.01382	89.2
59.39618	3.7
60.01731	6.1
61.98832	36.2
64.70686	3.8
71.01389	16.4
71.40836	6.0
74.02471	20.4
85.02959	10.6
86.02538	6.6
87.05633	6.4
89.02480	20.9
96.09145	4.4
99.05665	18.6
101.02469	10.7
113.02423	6.3
119.03539	5.2
128.03543	44.4
135.05717	3.9
143.04640	55.3
145.06161	4.3
146.04622	6.3
155.07167	11.3
156.07478	7.7
160.00775	17.7
179.04494	5.4
181.08722	4.8
199.09775	16.2
200.10109	17.5
210.08955	9.4
254.07935	16.0
272.08810	31.1
278.57947	5.2
281.64032	4.7
288.06674	11.3
306.07648	100.0
307.07809	7.5
362.15427	5.9
363.16745	10.3
433.15778	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03449	11.9
59.01084	1.0
59.01381	20.7
67.01880	0.6
71.01389	12.7
72.99313	7.0
73.02946	1.7
75.00880	4.9
78.90892	0.5
80.91706	3.2
83.01394	3.8
84.02160	3.2
85.02956	100.0
86.03307	2.2
87.00877	1.6
89.02448	6.7
96.96987	0.7
97.02966	0.6
98.99415	3.5
99.00889	1.6
101.00939	1.7
101.01899	0.5
101.02440	3.3
102.98862	0.7
103.00398	1.3
111.00900	3.7
111.94340	0.5
112.98634	0.5
113.01006	0.8
113.02431	2.6
113.14370	0.5
115.00390	4.4
117.00430	0.9
119.03540	2.5
125.00957	2.9
125.02427	0.6
126.81962	0.5
129.01944	2.3
133.01447	1.4
134.03773	3.3
141.00467	15.0
141.01576	1.0
143.99153	1.0
145.01508	0.7
147.03017	12.3
153.00455	5.5
154.00491	0.6
154.97426	0.6
156.99081	7.0
157.00011	0.5
161.04584	1.3
166.97607	0.8
167.02008	1.8
170.97034	1.7
171.01622	0.7
171.03014	0.7
173.00916	2.6
175.04012	0.8
179.05630	3.4
183.01442	3.6
184.98598	0.7
191.01996	35.5
192.02362	1.2
193.05096	2.3
195.01497	9.3
196.01744	0.8
201.00755	0.5
201.02509	2.8
219.03542	0.9
228.97545	14.4
229.97838	0.7
243.01788	1.0
243.03621	25.0
244.03777	2.3
246.98613	16.9
247.98932	0.8
261.02493	1.2
273.04691	1.0
285.71509	0.5
303.05826	2.5
341.10968	7.4
361.02429	0.6
363.07916	13.1
364.08170	0.9
364.55588	0.6
391.15976	0.6
423.09479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27254	0.4
57.03432	0.6
57.13190	0.4
59.01380	4.4
61.98832	1.0
69.07069	3.1
71.01387	2.6
73.02962	0.9
79.95741	6.5
80.96519	4.8
81.03463	0.5
83.04996	0.5
85.02953	4.3
87.00887	0.6
96.96017	100.0
97.95939	0.8
99.00909	0.5
99.04540	0.8
101.02461	1.2
105.48847	0.4
109.02962	0.5
113.02463	0.8
116.92863	2.4
117.92858	0.7
118.92692	1.5
123.00899	0.9
127.04012	1.6
133.02966	0.9
134.03738	0.9
135.04543	2.6
136.99152	6.9
138.97083	7.7
161.02455	2.0
164.98657	3.2
166.99971	1.1
171.10251	0.5
179.03511	3.5
182.02228	1.8
197.04567	1.8
206.99701	0.7
225.00751	70.0
226.01141	2.4
243.12373	1.1
251.41068	0.5
423.06082	9.4
423.14120	1.5
423.18704	0.7
423.64240	0.5
424.06601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.4
59.23869	0.8
61.98844	1.1
67.88500	0.9
71.01382	8.0
72.99315	1.6
80.91699	6.0
82.95427	4.7
85.02935	7.6
89.02451	7.4
98.22643	1.8
98.99400	1.0
101.00951	1.6
101.02442	5.2
113.02468	3.8
117.00452	1.8
118.48654	1.0
119.03533	3.2
133.02974	24.2
135.04532	8.6
141.00476	3.8
149.06090	1.0
161.02458	100.0
162.02814	5.1
171.01707	1.3
171.03049	5.7
173.00960	9.3
173.04489	1.1
175.02618	4.8
175.03893	1.8
177.05547	1.2
179.03516	20.4
179.05605	3.8
183.10289	2.8
187.99677	2.5
191.01970	2.7
199.02562	1.5
201.00455	10.5
202.00635	1.3
203.03528	1.6
205.98979	1.2
215.02071	4.5
217.03555	2.3
219.01489	4.4
243.01511	21.3
244.01599	1.9
244.55026	0.9
246.98608	2.6
249.00815	1.4
256.18811	1.0
261.02527	12.2
262.02637	2.1
286.47592	1.0
291.02039	2.0
302.00998	1.0
303.03613	4.0
317.03281	1.1
333.04672	1.1
341.04681	1.7
341.08798	34.0
342.09158	3.2
363.05762	8.9
363.16541	1.8
364.05603	1.1
377.14560	2.1
423.02426	1.6
423.07718	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	423.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03448	1.2
59.01378	2.7
61.98830	2.4
66.03491	2.4
68.01421	2.8
69.36684	3.3
70.02983	9.5
71.01389	4.4
72.99303	0.7
73.02949	1.0
82.02995	7.0
83.01419	1.0
85.02961	5.9
94.03023	1.4
95.01380	0.7
96.02502	0.8
96.04566	2.1
96.96022	1.1
97.06593	0.7
101.02475	1.7
109.02983	1.4
110.02488	9.5
111.02013	100.0
112.02365	2.3
113.02444	2.1
115.00401	1.7
121.02980	13.0
122.02531	0.8
123.00882	4.0
124.04012	1.8
125.09772	4.4
126.02004	1.5
126.88203	0.8
127.07675	1.8
128.03571	6.9
133.01456	2.0
137.02460	4.5
138.03255	5.2
139.00395	0.7
145.02937	1.9
146.51846	0.7
153.05592	13.2
154.05937	1.1
158.06691	0.8
164.03549	1.5
165.04135	0.9
166.99875	2.6
181.01468	3.6
182.02228	12.2
182.04596	5.1
183.02858	0.8
183.13995	1.1
184.94949	0.7
187.09746	2.4
191.02042	1.4
196.03815	0.7
197.04565	46.1
198.04942	2.6
200.05659	2.6
227.12921	2.5
239.05646	2.2
251.05798	0.9
269.06693	12.4
281.02948	1.2
296.05234	3.5
311.07764	24.5
312.08044	1.5
343.14154	1.3
355.12158	0.7
380.09900	9.8
381.10040	1.0
423.10416	7.0
423.18460	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	423.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74623	9.3
54.06086	8.9
54.74695	9.4
59.01376	87.8
61.98821	19.7
64.30273	9.6
66.07640	9.7
66.43442	9.5
69.16085	34.9
69.16516	28.1
70.04639	8.8
71.01385	96.4
73.02938	24.0
79.61749	11.0
79.89743	9.7
83.01405	22.3
85.02967	62.1
87.00880	18.3
89.02453	32.9
95.01398	12.9
96.96040	49.5
99.00896	9.9
101.01880	9.4
101.02448	59.7
109.02949	32.2
113.02445	33.5
122.03726	30.4
127.00367	11.0
133.02954	27.1
134.03799	11.4
135.04533	38.9
135.25294	11.6
144.03940	9.9
147.04462	12.1
149.06120	49.9
150.06931	20.3
161.02478	53.9
161.04562	38.0
161.05939	11.3
177.05563	22.2
179.03534	58.4
201.11296	18.2
205.05086	13.6
228.07974	18.3
243.10204	100.0
261.11310	60.3
291.14392	63.9
312.74783	11.5
370.91727	11.6
423.09525	41.7
423.17941	25.6
423.63321	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13134	0.9
59.01381	17.2
69.58318	3.2
71.01386	50.3
73.02956	1.1
75.00882	1.3
83.05052	6.3
85.02966	4.2
97.06618	7.6
98.22581	1.8
101.02487	2.1
115.00401	11.9
127.04050	1.2
133.02979	6.5
134.03755	100.0
135.04608	7.8
137.02408	1.6
145.02831	1.2
161.02461	4.2
177.01952	6.1
178.02728	23.1
179.03418	3.5
231.10329	3.9
275.09204	6.9
293.30423	1.2
306.47986	1.1
307.11899	68.4
308.12277	5.9
350.92499	1.3
424.13879	1.9
428.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01387	50.2
85.02925	22.5
89.02460	45.9
97.02988	23.0
99.00892	31.8
101.02445	14.4
105.04202	9.5
105.31049	10.2
112.50358	10.3
113.02468	22.3
117.02294	10.6
119.03529	21.5
120.86015	10.9
123.04560	13.0
125.02443	17.6
139.04059	43.3
151.07719	9.2
157.05119	16.5
165.05562	29.2
179.05624	31.8
183.06660	73.2
201.07735	55.4
250.33801	10.6
363.13007	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03454	14.9
59.01384	32.6
67.56382	1.4
68.99567	6.6
69.52117	1.4
69.52453	5.6
71.01379	14.5
72.00911	1.8
72.99309	8.8
75.00880	5.9
78.80762	1.9
78.95901	2.0
83.01386	6.1
84.02164	3.5
85.02956	100.0
86.03327	1.4
89.02456	10.4
97.02968	6.3
98.99377	3.1
99.00932	1.5
101.02445	5.8
103.00363	2.8
110.02482	2.8
111.00887	3.3
111.04548	1.6
112.98580	14.7
113.02442	2.4
115.00388	2.1
117.00473	1.7
119.03552	1.9
119.05059	3.0
125.00948	2.0
127.04028	18.2
129.01944	2.0
130.08783	7.2
134.03767	4.2
137.06102	2.0
138.38588	1.4
139.04012	2.3
141.00475	8.1
147.03018	11.5
156.99124	7.9
163.04021	1.8
165.05588	4.2
170.97023	2.5
173.00946	2.0
175.03920	2.2
179.05652	2.9
180.06764	4.0
183.06610	7.3
191.00420	2.6
191.01988	38.5
192.01656	2.5
193.05083	2.2
195.01450	3.1
201.02475	2.1
201.07715	7.1
205.98961	2.8
219.01648	1.6
228.97604	11.8
243.01434	3.6
243.03580	5.8
243.06218	5.8
246.98624	13.9
261.02524	2.2
273.01300	1.6
273.04721	2.1
317.03268	1.8
325.05368	5.8
363.07816	8.7
363.12961	20.5
364.07446	6.0
364.13220	2.5
423.02386	2.0
423.09235	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1666
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
52.23793	0.2
57.03442	0.2
59.01384	8.9
60.01721	0.2
69.51673	0.4
69.52061	0.4
71.01386	2.9
77.03948	0.2
81.03496	0.2
83.01401	0.4
83.05024	1.1
85.02955	0.8
89.02455	1.9
94.64205	0.2
95.01353	0.4
96.24352	0.2
101.02454	1.3
105.03480	0.7
113.02474	0.9
117.03471	1.1
119.03506	0.5
123.04516	0.2
127.04038	0.5
132.02184	1.9
133.02969	35.5
134.03850	1.5
135.04541	6.8
136.04819	0.4
137.02411	0.2
144.63045	0.2
161.02457	100.0
162.02791	4.4
163.04051	0.3
177.05591	0.4
179.03525	3.0
180.03900	0.2
181.04933	0.2
197.00951	0.2
201.21461	0.2
221.04533	0.4
251.05643	0.3
263.16592	0.2
281.06635	0.3
295.23587	0.2
301.18121	1.7
319.19077	0.3
346.13599	0.2
423.16626	57.0
424.16974	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	423.1668
Annotation	Ainslioside
Peak:m/z	Relative Intensity
55.01876	1.4
57.03440	1.3
59.01386	33.0
61.98817	2.6
71.01390	18.2
72.99298	1.7
73.02956	2.8
81.07639	1.1
83.05048	3.1
85.02957	10.2
87.00859	2.1
87.04468	1.6
89.02448	15.9
89.67693	1.3
93.03492	2.4
95.01366	3.2
96.96029	2.7
97.02946	1.9
99.00867	1.3
101.02452	14.7
107.05017	1.5
109.02944	2.4
113.02498	7.0
117.01430	1.2
119.03490	5.4
119.04985	1.2
120.05844	7.0
135.04535	3.3
135.08176	100.0
136.08505	4.8
147.04555	1.9
149.06079	1.4
152.04753	1.2
161.02432	1.8
161.06084	4.1
163.07664	15.6
163.90472	1.2
167.03508	6.2
173.04556	2.4
173.06010	2.9
179.03534	1.3
197.09695	3.9
215.10741	3.8
217.12302	2.5
219.06496	1.3
243.10292	10.4
261.11523	11.1
282.93173	1.4
405.15277	1.6
422.60925	1.3
423.16599	82.6
424.16928	13.0
434.61078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	70.1
61.98821	13.1
69.03441	7.6
70.92889	8.1
71.01389	44.0
71.05042	5.9
72.99332	7.6
73.02937	13.1
78.95913	15.1
79.95739	15.7
85.02946	16.3
89.02450	18.3
96.38497	6.4
96.95425	5.1
96.96014	100.0
101.02468	14.6
113.02434	20.6
119.03480	14.0
119.05042	11.6
123.22916	6.3
133.02988	10.6
135.04527	30.6
137.06128	7.0
138.97095	10.2
161.02469	20.6
164.98647	6.7
179.03537	35.2
203.07080	16.1
225.00761	71.6
243.10246	12.9
261.11334	14.4
281.10547	10.8
423.05585	9.3
423.13071	9.9
423.18073	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	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.4
57.03452	6.3
58.00612	0.8
59.01384	68.7
69.03455	2.8
71.01387	100.0
72.01722	1.3
72.99297	1.4
73.02950	29.0
75.00881	2.0
80.20161	0.6
81.03486	1.3
83.01393	13.8
85.02959	44.9
86.00106	7.7
86.03280	0.8
86.84564	0.9
87.00883	23.7
87.04529	3.0
89.02453	32.4
95.01383	7.9
96.24612	0.7
97.02929	4.8
99.00885	12.4
101.02451	61.8
102.02793	1.6
111.00883	3.0
113.02459	36.9
113.87197	0.7
114.02802	1.5
115.03979	1.8
119.03469	3.5
125.02463	7.5
127.07697	0.8
129.01921	4.4
129.09222	3.7
131.03519	6.4
133.02991	1.2
135.04546	4.4
141.01941	1.2
143.03519	6.5
149.04564	6.7
159.03003	11.2
161.02626	5.2
161.04570	60.4
162.04982	1.8
179.03522	5.2
179.05554	1.1
190.92079	0.8
191.05704	2.0
201.11343	29.7
202.11662	1.2
202.76837	0.8
211.50641	0.7
215.05627	0.8
233.06702	2.7
291.14514	81.4
292.14825	5.1
293.08865	1.3
315.14368	0.9
332.67236	0.9
371.18268	0.7
401.14746	1.3
423.13928	4.2
423.18860	13.9
423.64420	2.5
424.19107	1.0
427.84784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.4
57.03452	6.3
58.00612	0.8
59.01384	68.7
69.03455	2.8
71.01387	100.0
72.01722	1.3
72.99297	1.4
73.02950	29.0
75.00881	2.0
80.20161	0.6
81.03486	1.3
83.01393	13.8
85.02959	44.9
86.00106	7.7
86.03280	0.8
86.84564	0.9
87.00883	23.7
87.04529	3.0
89.02453	32.4
95.01383	7.9
96.24612	0.7
97.02929	4.8
99.00885	12.4
101.02451	61.8
102.02793	1.6
111.00883	3.0
113.02459	36.9
113.87197	0.7
114.02802	1.5
115.03979	1.8
119.03469	3.5
125.02463	7.5
127.07697	0.8
129.01921	4.4
129.09222	3.7
131.03519	6.4
133.02991	1.2
135.04546	4.4
141.01941	1.2
143.03519	6.5
149.04564	6.7
159.03003	11.2
161.02626	5.2
161.04570	60.4
162.04982	1.8
179.03522	5.2
179.05554	1.1
190.92079	0.8
191.05704	2.0
201.11343	29.7
202.11662	1.2
202.76837	0.8
211.50641	0.7
215.05627	0.8
233.06702	2.7
291.14514	81.4
292.14825	5.1
293.08865	1.3
315.14368	0.9
332.67236	0.9
371.18268	0.7
401.14746	1.3
423.13928	4.2
423.18860	13.9
423.64420	2.5
424.19107	1.0
427.84784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.4
57.03447	5.6
59.01383	100.0
61.87074	1.3
65.04276	1.6
71.01386	72.6
71.38382	1.6
72.01726	1.7
72.99298	2.1
73.02946	16.5
75.00911	1.8
83.01386	8.7
85.02956	48.4
87.00871	4.4
89.02451	49.7
91.77442	1.4
91.98994	1.3
95.01382	14.0
95.46568	1.4
96.96017	2.0
98.39877	1.7
99.00877	4.6
101.02448	64.3
113.02459	99.3
115.00361	2.3
119.03510	19.7
122.03728	1.9
125.02482	2.0
131.03537	3.4
143.03551	9.2
149.04543	2.3
149.06049	1.6
161.02478	2.0
161.04564	30.4
168.21472	1.5
177.05603	1.7
179.05630	17.7
185.11823	4.9
191.02003	2.7
219.10625	5.5
243.10265	6.3
259.13412	1.9
261.13495	4.1
307.12201	7.9
423.18750	22.1
424.12436	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	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.9
57.03458	6.4
58.00594	0.7
59.01384	60.3
68.99799	0.6
69.03459	2.3
69.25066	2.9
71.01389	100.0
72.01714	0.8
72.99306	1.5
73.02953	30.0
75.00883	1.9
79.06868	0.5
81.03450	1.4
83.01395	12.7
84.02179	0.5
85.02958	39.0
86.00103	7.2
87.00883	21.1
87.04527	2.2
89.02454	32.4
95.01395	6.4
97.02946	5.0
99.00890	9.5
101.02452	58.8
102.02811	0.9
108.58990	0.7
111.00896	2.2
113.02463	36.7
114.02789	0.8
115.04019	1.1
119.03516	3.3
125.02472	7.0
129.01930	3.3
129.09232	4.4
131.03526	6.1
133.02966	2.2
135.04538	4.6
141.01959	0.6
143.03531	5.6
149.04556	5.8
154.12561	0.6
159.03027	8.8
161.02640	3.8
161.04573	58.5
161.46321	0.5
162.04893	3.0
179.03543	5.0
179.05043	0.7
179.05649	0.6
191.05673	1.9
201.11354	28.9
202.11719	1.8
215.05568	0.9
233.06764	3.2
234.12621	0.7
273.85147	0.6
291.14526	80.2
292.14838	4.4
293.08893	1.8
294.01340	0.7
302.77921	0.6
315.14651	0.8
401.14996	1.0
423.13986	3.5
423.18774	14.3
423.64362	2.0
424.18991	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	423.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	1.1
65.03966	0.9
69.03465	3.6
69.06989	4.3
72.02187	0.6
81.03466	1.3
83.05035	8.1
85.02959	0.8
87.04486	0.9
88.82218	0.6
95.05058	2.6
121.06655	1.0
123.08176	1.4
125.02501	1.4
125.06108	0.8
127.04018	1.3
133.06625	0.7
136.68889	0.6
138.75734	0.6
139.07655	3.1
141.09259	2.6
149.09773	0.9
159.08186	0.9
177.09193	6.4
183.10274	5.9
187.69792	0.6
218.54733	0.6
221.08240	1.7
237.14870	0.7
239.09386	1.8
245.15427	3.4
256.54507	0.8
263.16623	2.3
264.16711	0.6
273.18469	0.9
275.16562	0.8
286.15628	0.7
291.16135	1.3
301.18109	19.1
302.18585	2.3
319.19278	2.5
345.17038	5.8
346.17737	0.7
361.20563	1.4
363.18173	7.1
364.18311	1.4
393.68442	0.8
399.32758	0.7
405.19257	1.4
423.20187	9.0
424.20901	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	423.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
59.01384	100.0
61.98828	3.2
65.03963	1.9
69.03454	3.9
69.46911	7.0
71.05004	2.0
81.03452	3.9
83.05030	35.6
91.04946	1.8
109.02952	3.9
110.69066	1.5
113.02424	1.8
119.41682	1.5
125.06091	2.8
125.09730	4.1
127.04031	12.6
138.47224	1.3
141.09236	4.3
151.07660	2.0
153.12865	3.5
165.09164	1.6
189.76337	1.4
191.14369	1.5
228.11865	1.6
245.15485	7.2
246.12659	1.9
249.14990	3.5
257.11887	3.7
257.15335	2.4
263.16510	6.6
274.12180	5.5
275.16559	2.0
289.14447	6.0
290.15002	2.0
301.18112	52.2
302.18457	6.3
304.16708	5.2
307.15521	13.2
308.16058	1.8
319.19095	6.6
361.20166	1.5
363.18195	9.9
379.21487	2.5
405.19162	4.1
406.94617	1.5
423.20316	26.7
424.20627	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	423.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	1.3
59.01386	100.0
60.01706	1.0
69.03455	2.7
69.10194	0.9
71.01393	2.6
71.05047	2.4
73.02950	1.6
78.85184	1.0
81.03478	2.7
83.05035	31.7
85.02956	1.4
97.06592	1.7
99.00908	1.9
101.02459	1.1
107.04993	1.1
109.02969	5.4
113.02478	2.2
121.06621	1.3
123.08174	1.7
125.09739	4.8
127.04028	7.9
130.08546	0.9
134.03729	2.2
135.04532	2.5
135.08182	1.7
137.06096	1.4
139.07703	1.4
141.09262	4.4
151.07639	1.6
153.12871	2.7
161.02417	2.2
178.02739	3.1
179.03542	1.4
179.10817	0.9
180.06473	0.8
189.12923	1.3
193.08736	1.7
198.75626	1.0
202.06232	1.5
203.10822	0.9
227.14450	5.3
235.13522	1.0
245.15529	4.1
247.13512	2.5
249.14851	3.4
253.12195	0.9
257.15576	3.1
261.14929	2.3
263.16516	3.7
271.13382	3.5
273.18533	1.7
274.12155	1.2
283.17194	2.1
284.14297	1.1
285.14944	7.8
286.15671	1.9
289.17996	1.0
289.25613	1.0
299.16397	1.5
301.18103	55.3
302.18420	6.0
304.16968	3.1
305.17416	1.3
307.15439	1.2
319.19083	7.9
327.16037	11.0
343.19003	1.3
345.17114	11.0
361.20129	1.2
363.18137	6.9
387.18027	5.2
405.19083	2.2
423.20453	12.2
424.13513	1.6
424.20566	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17520	0.5
53.38052	0.5
55.01655	0.6
55.01887	4.7
57.03455	4.5
59.01382	36.5
60.01723	0.6
64.80741	0.5
66.42007	0.5
69.03448	0.9
69.23016	2.3
71.01388	48.4
72.01714	0.7
72.99297	1.8
73.02953	21.3
75.00883	1.0
83.01393	12.4
85.02957	27.6
86.00095	1.5
87.00877	1.7
89.02449	8.3
90.64697	0.5
95.01396	3.8
97.02953	2.4
97.06593	35.5
98.06907	1.1
99.00894	7.2
101.02452	50.6
102.02784	1.0
107.05040	34.6
108.05354	1.3
111.00848	0.6
113.02460	20.9
119.03497	1.2
119.05029	1.7
125.02444	2.2
127.11270	0.5
129.01924	1.7
129.12874	0.7
131.03502	0.8
133.06613	0.7
141.01968	0.5
141.56914	0.6
143.03485	2.5
149.04518	0.9
159.03015	6.0
161.04590	28.8
161.06030	2.0
163.07257	0.5
217.12352	62.7
218.12694	4.4
220.09775	0.8
261.11472	1.1
291.18155	100.0
292.18497	7.2
342.94778	0.6
423.16898	0.9
423.22305	7.5
424.22913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
55.02800	0.4
57.03450	4.0
58.00597	0.6
58.27169	0.4
59.01382	37.8
59.96654	0.4
60.01694	0.4
60.10011	0.5
61.50384	0.4
61.98825	0.8
63.04047	0.4
69.03443	0.9
71.01387	52.4
71.39655	0.5
72.01707	0.7
72.60427	0.4
72.99312	1.2
73.02951	23.8
75.00869	1.0
81.33298	0.4
83.01019	0.4
83.01394	11.6
85.02956	30.2
86.00105	1.4
86.03316	0.5
87.00891	2.7
87.01324	0.4
88.39487	0.4
89.02449	7.7
95.01395	3.8
96.88772	0.5
97.02954	1.6
99.00879	8.1
101.02449	49.2
102.02790	1.0
107.74039	0.4
111.00893	1.8
113.02460	22.2
119.03523	0.5
125.02448	2.1
127.11285	0.8
129.01944	2.0
129.12848	0.8
131.03529	1.6
135.04535	0.9
143.03525	2.6
149.04599	0.8
159.02992	4.5
161.04579	29.0
162.04907	1.1
179.03545	1.9
191.05679	0.5
205.03564	0.5
209.87177	0.4
219.10176	0.8
233.06519	0.6
261.11169	0.9
291.18155	100.0
292.18509	7.9
311.00174	0.4
318.75278	0.4
363.14401	0.8
381.15463	3.8
382.15930	0.5
423.16556	10.3
423.22308	8.2
423.28488	0.9
424.16946	0.9
424.22644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74871	0.5
61.62797	0.6
65.26297	0.5
69.89096	1.3
78.95911	9.5
98.22600	0.7
110.82240	0.5
110.98550	6.9
167.01163	8.4
185.02217	3.0
186.31868	0.7
255.23314	100.0
256.23666	9.4
297.35141	0.6
349.98700	0.6
397.91501	0.6
421.04922	0.5
423.25211	11.0
424.25415	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88097	0.4
78.95914	16.7
82.62749	0.3
104.97488	0.5
110.98540	10.5
119.71613	0.4
138.48947	0.4
167.01167	11.9
167.59763	0.4
185.02191	3.3
207.45564	0.4
242.29172	0.4
255.23311	100.0
256.23660	9.2
423.25208	14.7
423.30939	0.6
424.25586	1.8
446.11346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14699	0.6
54.40248	0.6
70.00438	1.9
78.95913	9.2
82.59337	0.6
110.98540	7.2
126.75703	0.7
163.11320	6.0
167.01170	6.0
184.02016	0.8
185.02213	2.6
190.10071	0.6
247.17023	4.1
255.23317	100.0
256.23639	8.4
259.17139	0.7
339.19989	1.0
423.24591	8.8
423.29404	2.7
424.25397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33269	0.7
69.72442	2.5
78.95908	14.9
83.34591	0.6
84.13464	0.7
86.76678	0.6
89.56903	0.6
98.22527	0.9
104.97456	1.2
110.98552	10.4
152.99594	2.2
167.01161	11.7
185.02257	3.4
209.77629	0.7
228.05035	0.6
255.23311	100.0
256.23639	9.3
305.13550	0.6
313.44537	0.6
331.04187	0.8
379.51740	0.6
423.25168	16.7
424.25391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52571	0.5
58.94116	0.4
70.83218	0.5
70.83569	0.6
74.54800	0.4
78.95910	6.7
79.20895	0.4
87.90398	0.4
110.98540	4.5
128.69644	0.5
167.01152	4.3
185.02209	2.6
186.73586	0.5
198.75179	0.5
201.01978	0.5
201.74194	0.5
237.22240	0.6
255.23314	100.0
256.23666	10.3
423.25204	8.4
423.30103	0.3
424.25549	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	423.252
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
57.71379	0.6
58.91030	0.6
60.32056	0.5
65.68880	0.6
69.00361	0.5
69.16821	3.8
69.26589	0.6
78.95911	12.1
79.42943	0.6
83.37842	0.6
98.22631	1.5
110.97812	1.1
110.98534	9.1
128.36966	0.5
167.01154	11.8
185.02199	2.4
255.23308	100.0
256.23676	9.2
370.44724	0.7
423.25217	18.5
424.25473	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
59.34076	1.0
62.35236	1.0
99.92581	1.7
183.13899	6.6
184.14145	1.0
193.12323	2.2
211.13403	100.0
212.13750	7.7
254.95190	1.1
387.25360	1.3
405.26495	13.7
406.26706	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54927	1.4
59.01385	2.5
63.64423	1.2
66.88893	1.6
67.89088	1.3
69.59244	5.4
71.45396	1.6
94.31657	1.4
160.23659	1.3
171.62294	1.4
183.13947	7.2
193.82603	1.3
196.55672	1.3
211.13411	100.0
212.13736	7.2
369.95642	1.4
384.65445	1.7
387.25928	1.9
405.26498	14.0
406.26541	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	424.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02000	1.1
56.36893	1.0
59.01379	1.1
61.98836	100.0
71.34397	1.1
72.28455	1.2
81.88506	1.3
218.49911	1.2
315.18323	1.2
328.55243	1.2
338.25037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78989	0.5
61.98835	100.0
63.40622	0.5
69.40099	1.1
69.40488	1.2
74.62437	0.4
93.75517	0.5
132.63863	0.5
176.57625	0.5
185.83937	0.5
275.19202	0.6
288.16223	0.7
370.01831	0.5
373.03180	0.5
439.56046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87838	0.7
59.01387	3.8
61.98834	100.0
67.25622	0.6
71.01405	1.6
73.02935	0.8
78.34007	0.6
79.95742	0.8
85.02962	1.3
90.97021	0.6
95.03270	0.7
95.85369	0.7
96.96015	5.8
98.22611	1.8
99.13073	0.6
113.02464	1.5
122.03779	2.3
135.04507	3.8
137.77670	0.7
149.06117	3.0
151.07700	1.2
152.20015	0.7
161.02464	1.5
163.07614	0.8
168.52100	0.6
177.05614	2.4
179.03539	2.5
189.05791	0.9
201.09207	0.8
204.07973	1.5
219.10321	3.6
225.00830	2.3
226.01244	1.5
245.08232	1.8
263.09360	3.0
424.64191	1.9
425.14554	4.1
445.24002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83158	2.0
55.01884	4.1
59.01383	27.0
71.01385	24.7
73.02955	12.5
73.03337	2.0
83.01397	4.6
85.02968	15.3
89.02454	5.8
98.22645	8.1
99.00875	6.0
101.02449	37.2
113.02448	15.0
116.95418	2.2
135.04512	5.1
143.03548	2.3
151.96353	2.3
159.02986	3.8
161.02449	5.4
161.04541	11.9
179.03539	3.7
209.02591	3.0
249.13452	100.0
250.13860	5.9
293.16089	6.3
301.50052	2.4
381.12909	4.7
381.17676	61.5
381.22501	3.9
382.18155	4.1
423.64212	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	424.2498
Annotation	Lythranidine
Peak:m/z	Relative Intensity
69.11125	5.1
85.08177	0.8
86.02486	49.9
147.08165	2.3
149.09772	2.1
163.11301	5.9
172.59343	1.1
187.11295	2.0
204.55450	1.2
231.50104	0.9
243.83020	1.1
264.24844	0.9
279.13815	1.9
280.14786	1.7
295.82687	1.0
309.22354	2.3
322.19214	1.3
337.21753	100.0
338.22214	12.1
424.24945	59.9
425.25296	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	425.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31340	0.7
57.03448	1.4
59.01382	12.1
70.37039	0.7
70.80975	1.5
71.01394	7.6
71.05021	2.6
73.02950	3.2
83.01405	1.8
83.05009	0.8
85.02960	7.9
87.00885	4.9
89.02467	2.8
90.50298	0.7
96.96009	1.6
97.80167	0.8
99.04529	31.0
99.05190	1.6
100.04861	1.4
101.02462	6.1
102.98573	1.3
107.05029	2.4
107.56774	0.7
108.02180	1.5
111.04528	3.0
113.02455	4.0
119.03515	1.8
121.02970	2.6
122.03754	20.6
123.04561	4.7
133.03006	1.1
133.06616	6.5
134.03783	3.8
135.04543	11.6
136.05312	1.8
137.06050	1.1
142.72870	0.8
148.05322	0.9
149.04898	1.2
149.06100	22.5
150.06898	4.8
151.07666	15.8
159.04556	0.9
160.05278	1.2
161.02466	2.3
161.04689	1.4
161.06087	7.1
162.03230	4.8
165.05548	1.3
175.07658	4.2
176.08514	0.7
177.05582	34.5
177.09209	2.1
178.06317	4.7
179.03612	1.4
188.04776	1.1
189.05597	1.1
189.45824	0.8
191.02042	0.9
192.07954	7.9
193.08716	81.8
194.09065	4.6
200.49237	0.7
203.07170	9.2
205.05066	1.4
207.06516	1.1
220.07417	21.2
221.08208	100.0
222.08528	5.3
224.42960	0.8
245.11832	1.4
263.12762	1.7
349.86249	1.0
365.12384	2.4
374.08118	0.7
403.56528	0.8
425.13986	4.8
425.19083	12.5
425.64124	1.4
443.46371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01130	0.6
59.01386	8.6
69.86822	0.6
69.87151	1.5
71.01388	2.9
71.05025	1.6
73.02948	1.9
74.02473	0.7
77.71018	0.5
78.91875	0.5
79.81128	0.5
79.95728	0.7
80.09236	0.6
80.74368	0.4
83.01357	0.6
85.02959	5.5
87.00886	5.5
89.02438	0.8
95.01427	0.5
96.96031	4.8
98.21909	0.7
99.00927	0.7
99.04525	32.0
100.04848	1.3
101.02434	1.1
107.05035	1.0
108.02183	1.7
108.12769	0.5
109.02947	1.0
113.02450	1.4
118.98097	5.5
121.02977	2.3
121.06587	1.2
122.03750	20.2
123.04578	4.8
127.07704	0.6
133.06619	6.6
134.03752	2.9
134.06918	0.7
135.04544	9.6
135.08195	0.9
136.05251	1.9
137.06053	1.0
148.05325	1.1
149.06091	23.9
149.38950	0.5
150.06870	4.6
151.07666	17.4
152.07983	0.8
159.08141	0.7
160.05333	1.4
161.02467	0.8
161.04701	0.8
161.06100	6.2
162.03244	4.6
163.04047	1.0
163.07590	1.3
165.05574	1.9
174.06927	0.5
175.07643	6.5
175.95825	0.6
176.04745	0.7
176.08321	0.7
177.05585	36.8
177.09026	2.6
178.06174	4.8
179.03490	1.6
179.07164	0.9
188.04704	0.6
189.05466	0.6
191.01936	0.5
192.07951	7.0
193.08708	73.1
194.09058	4.3
202.06387	1.5
203.07167	9.0
205.05067	1.7
206.05925	0.7
219.13652	0.6
220.07410	18.7
221.08200	100.0
222.08542	8.0
263.12717	0.8
265.14316	0.6
327.23474	0.5
365.12213	0.8
425.13989	7.1
425.18793	2.1
426.12338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	19.8
71.01387	19.8
72.99301	2.3
73.02933	3.1
77.04043	2.1
78.95918	2.4
83.01393	2.5
85.02976	4.9
86.03271	2.1
89.02454	3.9
96.96010	2.6
98.22646	3.7
100.93353	2.4
101.02449	5.8
111.00951	2.8
113.02458	2.7
114.41763	1.9
115.00404	3.4
115.92071	7.0
119.05077	2.8
127.00385	4.5
132.63373	2.3
133.01430	8.3
135.04507	2.6
147.06667	7.8
161.02458	2.2
177.01904	4.7
201.07597	3.3
216.02841	4.9
239.05688	3.2
263.11395	2.7
299.07849	2.7
305.12445	6.0
317.17297	2.0
323.62643	2.5
363.16476	3.1
425.18195	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	425.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33113	32.9
59.01368	100.0
69.11617	35.9
70.47969	92.8
71.01388	59.2
85.74432	34.1
95.03701	46.0
103.67061	41.3
131.65858	37.0
193.76953	37.8
255.03006	73.5
298.04623	41.4
309.20572	45.7
425.91528	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	51.6
60.71919	41.3
64.91338	42.5
69.83910	100.0
78.17881	46.1
106.19803	47.4
205.92606	45.3
439.50620	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	96.7
64.12498	53.2
69.09014	52.2
70.61987	100.0
72.55885	61.2
94.08107	76.4
372.87415	81.1
419.47394	66.3
437.46423	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31303	1.4
55.01874	3.0
57.03441	1.8
59.01384	45.0
67.99989	1.2
69.03457	1.8
71.01384	26.4
71.41064	1.5
73.02938	7.5
81.03430	1.8
83.01382	2.1
83.05025	2.5
85.02954	17.2
87.00860	7.2
89.02459	18.9
93.03456	4.6
95.01354	1.7
96.96011	25.4
99.04536	26.7
101.02462	12.6
102.14254	1.5
102.98606	3.4
107.05042	27.2
108.02178	3.8
109.02966	10.2
111.04530	2.5
111.08142	3.9
113.02458	11.8
118.98095	2.0
119.03519	7.0
121.02959	2.3
121.06624	3.8
122.03748	21.7
123.04573	8.8
133.02985	1.9
133.06610	14.0
134.03714	5.4
135.04541	15.6
135.08173	11.7
137.06133	1.9
139.07660	12.6
141.09187	3.8
149.06100	35.4
150.06900	6.5
151.07674	31.8
160.05273	2.6
161.02458	7.5
161.04691	2.1
161.06087	24.5
162.03189	5.9
163.07658	4.7
165.05513	1.4
175.07661	6.1
175.11346	1.7
176.04781	1.9
176.08371	1.4
177.05582	46.7
177.09113	3.6
178.06256	4.1
179.03497	3.9
179.10612	1.4
184.87022	1.3
185.09662	2.0
188.04810	1.8
189.05571	8.9
191.01933	1.8
191.07182	1.5
192.07924	11.3
193.08708	70.8
194.09064	3.4
201.09274	2.7
203.07144	10.1
203.10855	1.5
209.09706	5.3
211.07668	3.6
212.08391	5.3
217.12328	12.7
218.12801	1.4
219.06697	2.7
219.10249	4.5
220.07433	33.7
221.08214	100.0
222.08560	6.3
227.10786	70.7
228.11151	5.4
235.13379	6.0
245.11823	16.8
246.12024	2.0
262.12097	2.9
263.09232	3.1
263.12921	24.1
264.13232	3.1
314.93369	1.8
327.23642	1.6
336.25861	1.2
337.12543	1.5
339.67737	1.4
365.12427	15.2
366.12686	1.9
383.13577	2.0
425.13153	8.0
425.19153	14.7
425.63489	2.4
426.19058	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	425.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01382	4.2
61.98837	2.1
69.19897	0.5
71.01379	1.7
73.02946	1.3
83.05047	0.7
85.02948	0.9
85.06577	0.5
93.03452	0.5
95.05028	1.1
97.06596	28.7
98.06937	0.8
99.00858	0.6
107.05011	0.8
109.06586	0.7
121.02972	0.6
122.03690	0.5
123.08189	1.5
125.06082	5.6
126.06463	0.5
127.04036	0.5
129.01941	1.5
131.03539	0.5
133.02916	0.5
135.04549	2.4
136.05312	17.3
137.02457	0.6
137.05809	0.7
139.07669	0.6
149.06102	1.5
150.06891	7.5
151.07680	1.1
151.96582	0.4
161.02473	1.1
162.06749	0.5
163.07640	1.6
164.08467	1.2
165.09221	41.7
166.09570	2.1
176.04793	0.4
177.05556	2.0
177.09206	0.7
177.12865	0.5
179.03520	1.8
188.04794	0.6
189.05516	1.7
189.09277	0.8
189.12758	0.9
193.08707	0.8
201.09152	0.6
202.06401	0.7
203.07065	1.6
204.07935	3.5
205.12437	0.9
207.13898	1.7
211.45969	0.5
214.10007	0.5
215.10788	1.5
217.08745	1.9
218.09491	3.1
219.10239	2.9
219.13800	1.1
229.12311	1.1
230.13235	0.5
231.10257	5.4
232.11053	4.0
233.11807	7.5
233.15355	0.5
234.12616	7.8
235.09721	1.9
235.13399	1.8
245.15508	6.2
246.12622	29.8
247.13383	2.8
248.14183	87.6
249.14569	8.0
261.14975	3.3
262.88907	0.5
263.16537	100.0
264.14383	0.7
264.16882	9.2
273.11307	0.6
285.11337	0.7
287.16446	1.0
298.10632	1.4
299.13116	0.6
302.15067	1.0
303.12363	0.6
313.10907	0.4
315.15997	1.1
317.17651	1.2
327.14526	10.8
328.14896	0.9
333.17154	0.6
343.15485	1.1
366.13120	2.9
374.17447	0.6
375.18179	0.7
381.15555	1.9
389.19705	1.4
395.17111	12.3
396.17722	4.1
407.20731	3.8
410.19534	4.3
425.21832	51.9
426.15854	0.8
426.22086	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	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01379	2.6
64.70254	0.9
69.79647	2.1
69.80039	1.9
71.01390	2.5
84.35767	0.9
92.92822	3.0
102.52303	0.8
104.54695	0.8
109.80720	0.9
115.00356	1.6
123.08266	0.8
151.74573	0.8
167.14474	0.9
168.57141	0.9
174.27188	0.8
183.13885	11.2
195.13921	23.7
196.14328	1.1
209.39360	0.8
211.13411	33.2
212.13805	1.7
213.14981	7.7
223.13394	1.0
243.15292	0.8
264.55920	0.9
291.19562	1.3
309.20743	8.8
310.21033	1.1
315.26956	3.4
327.26938	0.9
357.96100	0.8
359.26074	2.9
377.26959	3.4
395.27567	1.2
407.28189	1.1
425.29117	100.0
426.29453	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	426.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.33092	0.6
70.64813	0.6
70.65159	1.0
78.54864	0.5
85.02972	0.6
98.22562	0.7
108.41499	0.5
148.81432	0.5
160.06322	0.5
163.04117	0.7
172.17728	0.6
254.57584	0.6
266.69794	0.5
398.65948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18828	0.5
61.98834	100.0
69.11548	4.1
70.98970	0.6
72.40284	0.6
96.86334	0.6
117.20045	0.5
132.44278	0.6
164.57993	0.6
179.84991	0.5
195.85876	0.6
304.06342	0.6
349.96835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01379	8.1
61.98835	100.0
71.01385	2.0
72.69080	0.6
78.95911	3.1
80.91718	0.7
83.01410	0.8
85.02972	1.4
95.99685	0.8
96.97015	1.2
97.02997	1.1
98.99422	1.2
101.00986	1.2
101.02458	1.7
102.98876	0.8
108.98643	0.6
117.00491	3.3
123.03059	1.2
125.00955	4.5
126.98885	1.1
134.04767	1.1
134.91602	0.6
141.00452	7.1
141.99910	3.6
153.00533	1.1
155.02092	0.8
155.05798	1.0
157.03601	2.6
159.01485	0.8
167.02022	10.0
170.97922	0.7
181.03661	1.5
183.01509	7.9
184.01073	0.8
201.02557	3.7
202.02797	2.6
203.02545	0.7
225.02666	2.6
226.98946	0.6
236.80522	0.6
243.03581	3.4
247.04636	1.9
273.91122	0.6
283.01566	0.8
284.01428	5.5
284.06351	1.5
285.01471	1.4
285.04468	1.2
307.01675	1.0
344.03989	0.8
366.01450	1.1
366.07736	1.2
367.08841	6.0
427.10901	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	426.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58520	0.3
56.97301	0.3
57.03435	0.3
59.01385	100.0
60.01708	1.1
61.98838	0.7
71.01389	4.4
72.99316	0.3
73.02956	5.1
81.03504	0.3
83.01411	1.2
85.02969	3.0
87.00874	0.7
89.02450	2.1
91.01909	0.8
93.03495	0.4
96.96063	1.0
101.02456	4.5
102.98631	0.4
107.05059	0.4
113.02454	2.0
119.03539	0.7
133.03058	0.6
133.06718	0.4
135.00925	2.3
135.04526	1.7
147.03084	0.3
149.06099	0.6
159.26031	0.3
161.02428	1.7
161.04582	0.6
161.06071	0.5
161.09767	0.3
177.09233	0.4
179.03555	1.7
187.11395	1.1
190.10052	0.3
191.01964	0.4
200.08051	0.3
204.06770	0.7
204.11597	0.3
205.08742	0.3
205.12341	1.7
227.10907	0.3
228.11093	0.4
233.11868	0.6
250.12074	0.3
264.13434	0.6
311.09802	0.4
405.13202	0.4
426.13919	4.5
426.18277	0.6
426.60922	0.4
427.10922	0.4
427.19818	7.8
427.25122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2265
Annotation	Geyerine
Peak:m/z	Relative Intensity
59.01374	17.4
70.07304	6.3
72.49474	2.3
77.65057	2.1
91.04820	2.2
91.87481	2.0
98.21965	2.3
145.81100	2.1
153.73236	2.0
157.21042	1.9
159.05817	1.9
171.31688	2.8
171.71286	1.9
245.12532	2.1
301.21774	10.5
319.22784	2.6
341.21048	3.4
405.96835	2.7
426.22623	100.0
427.23090	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	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
58.07925	2.5
59.00418	2.9
59.01388	35.8
63.48338	2.7
64.73199	2.7
69.10493	5.6
69.10890	14.0
71.01391	32.0
73.02946	16.3
75.10564	3.0
83.01389	8.3
84.44324	2.5
85.02959	16.4
89.02431	5.6
99.00875	6.1
101.02451	38.6
105.49898	2.9
112.31622	2.4
113.02475	19.5
115.15898	3.2
161.04576	17.9
172.84764	2.8
178.19905	2.7
200.33450	2.6
235.11888	100.0
236.12169	4.7
314.00732	3.4
367.16098	40.7
368.16409	3.6
374.94614	3.0
443.12589	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	427.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33296	75.9
69.33688	100.0
83.55563	34.7
101.75965	40.4
125.45614	37.0
219.98206	38.5
239.34056	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23543	75.6
54.71840	67.7
55.32304	64.8
61.98828	71.8
64.05318	69.3
78.66006	100.0
92.15410	67.2
102.94355	76.1
111.21501	64.6
114.73755	75.9
143.45938	73.3
371.64825	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93983	1.3
57.01976	1.5
57.03460	7.2
58.70338	1.5
59.01383	100.0
59.89231	1.3
60.29250	1.3
65.18959	1.5
68.99804	2.8
69.03453	4.7
69.69294	5.3
71.01378	17.4
72.99314	1.4
73.02954	13.7
75.00880	13.0
83.01391	5.6
85.02959	17.3
86.00101	4.6
87.00890	5.8
89.02439	6.8
91.56788	1.5
92.37352	1.4
94.09825	1.5
95.01394	7.1
97.02943	4.0
99.00880	8.1
101.02457	12.8
103.04015	1.8
109.02962	1.8
110.63730	1.6
111.00909	7.0
111.04501	2.2
112.51968	1.3
113.02457	24.8
113.06217	1.4
115.00343	1.5
119.03516	3.0
122.02460	10.1
125.02438	4.2
129.01929	2.7
131.03459	2.3
135.04544	2.0
136.04018	1.9
137.09680	4.1
137.10686	1.5
141.01962	9.9
143.03519	4.1
147.46347	1.8
151.07654	1.7
153.09222	3.5
159.03041	6.8
161.02507	6.9
179.03484	2.7
195.06606	5.5
201.04037	5.7
203.10918	1.6
205.05095	1.9
221.11838	2.9
229.12352	1.8
239.12889	4.1
247.13451	2.3
265.09354	8.0
277.14536	2.7
283.15674	8.0
295.15436	2.7
321.17093	1.9
349.16483	6.1
385.18173	2.2
392.82773	1.6
427.13385	2.5
427.19687	18.4
428.15485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05846	0.6
55.01888	1.0
57.03443	1.3
59.01383	100.0
60.01723	1.7
70.82040	0.9
71.01381	12.0
71.01745	1.0
73.02945	6.0
76.94825	0.6
83.01398	1.6
85.02970	6.3
87.95997	0.6
89.02464	3.8
95.01396	0.9
97.03007	1.0
99.00897	1.3
100.78326	0.6
101.02446	5.4
113.02447	9.6
119.03519	1.3
122.03793	0.8
123.08164	0.8
125.06141	1.5
132.37259	0.7
134.03824	0.7
135.04553	3.0
136.05299	0.9
138.06845	3.4
139.07735	1.8
149.06137	1.2
151.07658	4.0
152.08432	13.5
153.09232	27.1
154.09628	1.6
156.88559	0.7
161.02466	1.4
161.04601	2.5
163.11334	0.7
165.09271	1.1
177.09190	0.7
179.03593	2.0
180.06766	0.8
205.12334	12.1
206.12634	1.1
220.94485	0.6
223.09799	0.9
223.13339	3.2
260.05621	0.7
351.60718	0.8
367.17645	9.3
368.18085	0.8
385.18893	1.4
417.63065	2.3
418.13159	1.7
426.33847	0.9
427.20114	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93983	1.3
57.01976	1.5
57.03460	7.2
58.70338	1.5
59.01383	100.0
59.89231	1.3
60.29250	1.3
65.18959	1.5
68.99804	2.8
69.03453	4.7
69.69294	5.3
71.01378	17.4
72.99314	1.4
73.02954	13.7
75.00880	13.0
83.01391	5.6
85.02959	17.3
86.00101	4.6
87.00890	5.8
89.02439	6.8
91.56788	1.5
92.37352	1.4
94.09825	1.5
95.01394	7.1
97.02943	4.0
99.00880	8.1
101.02457	12.8
103.04015	1.8
109.02962	1.8
110.63730	1.6
111.00909	7.0
111.04501	2.2
112.51968	1.3
113.02457	24.8
113.06217	1.4
115.00343	1.5
119.03516	3.0
122.02460	10.1
125.02438	4.2
129.01929	2.7
131.03459	2.3
135.04544	2.0
136.04018	1.9
137.09680	4.1
137.10686	1.5
141.01962	9.9
143.03519	4.1
147.46347	1.8
151.07654	1.7
153.09222	3.5
159.03041	6.8
161.02507	6.9
179.03484	2.7
195.06606	5.5
201.04037	5.7
203.10918	1.6
205.05095	1.9
221.11838	2.9
229.12352	1.8
239.12889	4.1
247.13451	2.3
265.09354	8.0
277.14536	2.7
283.15674	8.0
295.15436	2.7
321.17093	1.9
349.16483	6.1
385.18173	2.2
392.82773	1.6
427.13385	2.5
427.19687	18.4
428.15485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.51173	0.3
55.01878	0.9
57.03457	0.5
59.01385	9.9
65.99696	0.3
69.26733	0.3
70.24416	0.3
70.49099	0.3
71.01389	5.8
71.15702	0.4
73.02948	3.1
79.67841	0.3
83.01403	1.9
84.60902	0.3
85.02949	4.5
86.00060	0.4
87.00871	0.5
89.02469	0.9
95.01418	0.6
99.00880	0.8
99.04595	0.3
101.02449	6.8
102.26133	0.3
107.05023	1.4
113.02457	2.3
113.06099	1.5
129.05615	0.5
135.08185	0.6
149.06155	0.6
161.04628	0.7
161.06073	0.8
161.09737	1.0
163.07611	0.3
177.09253	0.6
182.96387	0.3
189.12878	0.8
201.12715	0.8
203.10748	5.2
219.13846	1.7
247.09724	0.7
247.13470	1.2
265.10822	5.5
265.14465	2.8
266.10922	0.3
391.23245	0.4
427.19763	100.0
428.20096	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01384	100.0
60.01430	0.3
60.01723	1.0
69.71277	0.4
70.47572	0.4
70.47895	0.7
71.01391	4.3
72.03355	0.3
72.99328	0.4
73.01180	3.6
73.02956	1.9
74.99114	1.0
78.49003	0.3
83.01400	0.7
83.05061	0.5
85.02954	4.0
87.00886	0.8
89.00693	0.5
89.02462	1.7
95.05015	0.5
96.95982	0.5
101.02448	2.4
105.34533	0.4
107.05048	0.8
111.00897	0.8
113.02480	1.6
118.98083	0.8
119.03546	0.6
131.03545	0.4
133.02980	0.8
133.06590	1.1
135.04515	4.4
135.08180	5.1
136.99144	0.6
141.03836	0.9
145.06602	0.5
147.03003	0.5
149.04721	0.4
161.02437	2.8
161.06075	0.5
163.07660	7.0
164.04845	0.9
173.06081	0.4
177.12874	0.5
179.00410	0.4
179.03488	4.9
189.09303	0.4
191.02016	1.3
191.07207	0.6
204.01210	0.4
219.06876	0.4
219.13919	0.5
221.11896	1.9
223.13429	0.8
223.43130	0.4
247.13388	0.9
265.14484	0.8
287.73560	0.4
311.09564	1.7
311.59842	0.8
361.59378	0.5
409.09549	2.2
412.63394	0.9
413.13907	0.6
427.10718	12.3
427.19794	4.7
427.61237	3.3
428.11258	2.6
428.20035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1978
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
50.83662	0.7
55.01890	1.4
57.03445	2.0
57.11425	0.6
57.50226	0.6
58.00582	0.8
59.01384	77.4
59.12957	0.6
60.01717	1.2
61.98852	0.8
65.98719	0.5
66.10487	0.6
69.03445	0.7
70.67804	1.4
71.01389	26.2
72.99305	1.2
73.02953	31.0
73.57249	0.6
79.95761	0.7
83.01395	9.8
85.02956	11.9
86.00124	1.0
87.00895	4.6
87.04506	0.9
89.02450	11.1
89.02969	1.1
95.01442	1.2
96.96024	4.1
97.02937	1.2
99.00899	1.8
99.03719	0.7
99.04496	0.8
101.02451	30.8
113.02464	11.0
118.98118	2.2
119.03539	4.7
120.97677	0.9
125.02393	0.8
131.03516	2.3
135.04536	2.5
135.08168	2.1
137.09784	0.9
143.03542	2.1
147.46652	0.8
149.04622	0.9
152.01180	0.6
159.02939	0.7
161.02466	1.1
161.04578	4.9
161.09689	1.7
163.07719	0.9
171.08281	0.8
175.11325	1.0
176.08389	1.8
179.03519	2.6
179.05699	1.3
187.11304	10.2
188.11667	0.8
189.09268	0.9
190.10020	2.6
191.01958	1.3
191.07092	0.8
201.12788	1.0
203.10849	1.5
204.11594	2.2
205.12331	13.6
206.12729	1.1
215.10779	1.2
217.12384	1.5
219.13914	1.4
221.06673	1.7
223.06120	0.9
233.11861	6.8
234.14583	2.1
247.13432	1.8
259.13364	3.1
265.14508	4.6
277.14453	2.8
367.17276	0.7
407.29349	0.8
427.19791	100.0
428.20129	11.2
451.28720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59452	0.3
57.03450	0.4
58.02688	0.5
58.02979	10.4
59.01383	13.7
63.00640	0.3
66.03514	0.4
71.01387	17.3
72.04554	0.5
72.99310	0.5
73.02953	1.1
81.07093	0.5
83.01390	0.7
83.02528	0.8
84.00947	0.3
85.02961	2.9
87.00878	0.6
87.51186	0.3
88.04050	23.6
89.02452	5.9
95.01385	0.5
97.04102	1.1
98.52023	0.3
99.05653	15.1
99.08167	0.4
101.02464	4.5
107.05046	1.1
111.05642	0.4
113.02449	2.7
113.06098	0.6
114.01980	100.0
114.09243	0.9
115.02320	2.1
116.05070	8.9
117.05403	0.4
119.03519	2.2
120.04604	0.3
126.09254	1.5
128.05083	3.0
129.10365	2.2
130.06638	20.7
130.08734	0.6
131.06998	0.9
132.04567	0.5
133.02948	0.4
133.06580	0.6
135.04539	0.4
135.08177	2.6
139.04224	0.5
139.05190	0.9
139.08784	3.1
140.05087	2.1
141.10365	0.6
142.06624	0.8
143.11914	0.6
144.04555	1.2
147.08209	0.6
152.07150	0.4
153.04562	0.3
154.05385	15.7
154.08745	6.6
155.06027	1.2
156.06935	6.6
156.08151	0.6
157.07721	39.8
158.06079	0.4
158.08058	2.3
161.02451	0.5
161.04659	0.8
163.07710	0.4
163.75137	0.3
167.06149	2.0
169.09842	4.4
171.11403	0.4
172.09808	1.4
179.03540	0.6
180.06932	0.4
183.04172	0.8
183.05626	3.2
185.12993	0.7
194.07198	0.4
196.06448	0.3
198.08061	0.7
201.06789	1.8
205.12347	0.5
211.05177	1.6
211.08846	0.6
212.14053	13.7
213.14441	0.7
223.13428	0.8
225.13931	0.4
227.15544	0.6
228.11414	1.3
235.12405	4.5
237.13951	0.5
238.06189	1.4
247.13411	3.9
252.15094	0.9
253.13481	1.1
254.09361	0.7
254.15118	11.1
255.07790	0.9
255.15343	0.8
265.11057	0.4
265.14438	0.7
268.14548	0.7
270.16135	27.6
271.16434	2.3
272.10410	2.0
278.13074	0.8
279.11365	5.2
281.08038	2.6
292.11682	1.0
296.13998	0.4
299.09125	1.3
306.16241	0.6
312.17206	53.8
313.17545	4.7
337.16772	0.9
338.15131	50.1
339.15369	4.9
347.07632	0.6
365.19833	1.2
367.17230	0.5
383.20966	2.3
385.18640	2.0
409.18710	0.7
427.03452	1.6
427.19809	27.2
428.20221	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57097	3.6
59.01384	100.0
61.98824	7.2
71.01385	6.1
89.81802	3.6
90.32527	4.4
96.95919	3.5
98.22678	10.1
270.07687	11.9
293.21161	15.7
294.00189	4.0
311.22354	28.3
311.70047	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	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80905	41.3
55.24570	40.1
56.49794	42.5
59.01363	54.2
99.69009	39.9
106.45425	47.1
145.12183	44.9
195.74043	46.1
210.79594	46.8
221.15515	100.0
272.44412	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74792	21.1
69.27914	43.3
69.28320	100.0
74.68263	20.8
98.21843	30.7
103.10609	23.7
117.23230	26.6
126.13226	22.9
197.52751	23.0
202.42256	26.6
268.80420	25.1
427.27158	82.2
428.27325	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.52586	5.5
70.52927	6.0
72.57630	4.5
102.05625	5.6
119.58279	5.2
131.48691	4.7
165.90256	5.5
169.85287	4.7
184.61115	5.5
192.41748	5.1
254.05608	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	428.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71881	0.7
52.82139	0.8
56.67272	0.6
58.02976	1.5
58.56322	0.7
59.01384	100.0
63.13068	0.7
72.00927	1.5
74.02481	11.1
79.95759	3.3
80.01930	0.7
85.99179	0.7
93.03472	3.9
106.04302	1.0
119.05042	10.5
123.08179	16.1
134.06123	4.7
140.10843	8.0
154.12381	1.3
161.02455	0.9
163.04022	10.1
167.07147	2.3
180.06680	60.3
180.10300	3.2
181.07048	2.6
184.09784	0.9
185.08200	2.0
186.82797	0.8
198.11356	1.9
214.01804	4.1
224.09273	5.9
242.10358	6.2
260.16562	6.2
275.49609	0.7
286.14474	3.2
304.15634	7.1
305.41559	0.9
348.14545	84.3
349.14813	8.8
393.50134	0.7
428.10217	80.5
429.10507	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99765	1.3
59.01382	1.5
60.01981	1.3
61.98834	100.0
69.75804	3.5
75.31042	1.4
86.55198	1.3
98.83200	1.4
138.37794	1.2
256.30588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08411	2.5
52.15359	2.7
59.01381	46.8
69.59392	6.3
69.59780	5.3
71.01388	6.2
72.99321	6.6
78.95911	3.2
83.01404	3.3
85.01475	3.8
87.00858	4.3
89.02505	3.7
98.99391	14.8
101.00974	5.0
101.02529	4.9
101.90840	2.6
111.00912	4.1
111.25506	3.0
115.02513	3.3
117.00451	20.8
120.32275	2.7
123.03047	3.3
125.00974	15.1
126.98880	4.9
129.00479	3.3
130.08749	100.0
131.02020	7.5
132.98227	3.2
134.04738	3.8
141.00464	42.8
143.02023	9.7
144.10313	7.0
144.99951	6.5
145.20915	2.7
153.00571	3.6
154.98358	3.7
157.03624	14.6
159.01486	14.5
159.67848	3.0
167.02020	9.3
168.99924	10.9
170.97923	5.7
174.99347	7.5
180.99901	3.2
182.99928	3.9
183.01511	6.4
188.07776	4.9
189.01128	3.2
198.99457	20.7
201.02582	6.1
202.09409	5.0
208.97940	5.6
211.01019	22.6
213.01106	4.0
215.02654	4.3
217.00412	29.6
219.61427	2.6
225.00949	13.4
226.98813	5.2
231.02205	14.6
239.02620	4.5
241.00555	47.7
242.00645	5.8
243.02052	20.6
244.02089	2.8
250.98988	15.1
251.99025	3.1
253.00504	3.1
257.03680	28.3
258.03885	3.3
259.01566	10.7
271.01736	3.2
272.10019	16.8
273.03223	10.7
281.00009	20.3
283.01620	30.1
286.11526	5.3
287.00977	6.5
287.11526	3.3
288.07709	78.4
288.11041	4.3
293.00040	68.4
294.00171	11.8
296.99484	9.1
297.11945	6.9
298.08020	3.0
306.98077	4.5
308.99545	11.3
323.01175	4.4
324.99054	21.5
325.99332	6.2
336.98975	5.9
339.00635	66.1
340.00784	11.2
341.02307	4.9
355.00125	3.8
369.01544	7.7
369.10434	4.7
387.02634	4.3
397.00891	4.0
429.07495	5.2
430.08536	10.5
430.22369	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11621	0.3
59.01371	1.2
61.98827	0.7
63.59421	0.2
64.67655	0.2
70.70937	0.4
71.01385	1.2
72.99311	0.3
77.49252	0.2
84.92198	0.2
84.93870	2.5
89.02464	0.3
98.95464	0.8
99.92595	13.3
100.92677	0.6
100.93366	9.6
101.93415	0.5
105.01960	0.3
112.98827	0.7
114.50907	0.3
115.00338	0.3
115.92088	14.5
116.92870	100.0
117.92879	5.7
118.49884	0.2
125.57491	0.2
126.94940	2.2
135.03047	0.3
142.94379	0.4
154.94463	0.6
158.97896	0.3
169.93144	0.6
170.93936	5.3
171.93983	0.4
186.93382	0.7
192.40594	0.2
198.93414	1.4
211.13354	0.3
213.15070	0.5
214.92906	4.7
215.92984	0.4
282.90997	0.2
293.04907	0.4
295.06479	1.1
296.06787	0.3
297.07947	1.4
311.06033	0.3
313.07550	2.4
314.08005	0.2
323.09595	0.3
367.08713	0.5
377.23676	0.3
420.91702	0.3
429.08591	6.8
430.08926	0.9
450.61508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84027	0.2
59.01387	1.4
61.98833	1.1
70.66721	0.4
71.01380	1.0
72.99323	0.3
84.93874	2.7
85.60769	0.2
87.00897	0.3
87.63735	0.2
98.95448	0.6
99.92594	14.2
100.92671	0.8
100.93363	9.1
108.57143	0.2
112.98815	0.4
114.94911	0.3
115.04690	0.2
115.92091	15.5
116.92870	100.0
117.92889	5.4
117.93622	0.2
126.94938	2.3
142.94411	0.5
154.94412	0.5
157.91399	0.3
169.93144	0.7
170.93924	6.0
171.94032	0.4
186.93393	0.7
198.93456	1.7
211.13446	0.5
213.15062	0.7
214.92915	4.9
295.06464	1.4
297.07953	1.3
313.07541	2.1
314.07257	0.2
323.09549	0.4
323.45435	0.3
411.07422	0.5
429.08612	6.9
430.08749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
56.65234	1.2
57.03450	16.4
59.01383	42.7
63.25259	1.1
67.70100	1.0
71.01385	11.6
71.39854	1.1
72.99332	2.3
73.02955	4.4
74.02482	2.7
74.99125	0.9
75.00892	2.0
79.88079	1.1
79.95735	1.9
83.01405	5.4
84.02197	1.7
85.02956	100.0
86.03299	2.3
87.00893	1.5
87.04520	18.6
88.04057	3.0
89.02444	3.4
91.01888	1.7
91.25920	1.1
93.03468	1.0
96.96069	2.0
97.03002	1.6
99.00895	1.1
101.02420	6.2
101.06072	1.6
107.05049	1.1
108.02164	2.2
109.06658	1.2
111.00894	15.8
113.02452	4.2
119.03498	2.1
119.05058	2.4
123.04523	6.8
123.08190	3.9
124.08507	2.0
129.01959	33.5
135.04553	2.1
135.06540	1.3
140.10875	1.7
141.11111	1.7
143.03499	1.3
145.06450	1.2
147.03021	6.4
149.06081	5.6
151.04028	1.2
152.01149	2.7
155.07150	4.4
161.02486	2.5
163.04034	2.3
164.04454	1.4
167.03503	15.2
173.00938	7.6
179.03485	2.7
179.07164	1.2
180.06680	11.0
181.07007	8.9
189.09271	1.2
191.02048	7.3
205.12350	1.2
207.10361	1.9
217.07111	4.9
235.06133	3.4
243.10712	1.9
249.11194	1.2
249.14857	1.3
261.06079	3.5
267.15869	1.6
279.07361	5.9
297.06281	1.9
305.15747	1.1
348.14554	3.6
349.14874	20.6
350.15085	2.0
399.22321	2.0
429.10516	20.2
429.21844	6.9
430.10208	2.6
430.20874	10.0
453.07535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
69.27246	3.7
69.27658	2.0
70.18623	0.9
71.01389	3.1
85.02965	1.3
87.00884	100.0
87.83403	0.9
88.01189	1.1
88.75465	0.8
89.02454	3.5
101.02413	1.7
113.02479	1.0
118.05106	0.9
119.03545	0.9
159.89424	0.9
179.05620	2.7
183.34460	1.0
237.77890	0.9
341.10934	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	429.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75851	9.8
59.01385	67.1
61.98821	60.5
71.01391	41.4
81.76006	9.9
85.02966	25.0
96.04420	11.0
99.68626	9.2
101.02455	11.3
105.01952	10.4
109.02930	14.0
115.00397	12.5
124.56039	9.6
135.04543	14.4
159.90965	10.1
165.50229	10.6
177.12885	13.2
182.08292	13.5
195.13882	47.8
211.13437	11.0
247.13588	13.3
251.12956	31.0
260.92786	11.7
284.14319	28.4
299.16525	21.0
313.16595	57.5
313.19836	11.6
331.19205	58.7
375.18100	39.1
429.16666	100.0
429.21085	7.7
430.17218	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03442	1.1
58.00601	1.1
59.01383	100.0
60.01716	1.0
69.57792	0.4
71.01387	43.1
72.01730	0.8
72.40816	0.5
72.99316	1.4
73.02950	1.3
78.10218	0.4
81.07114	1.8
83.01395	1.6
85.02962	8.7
87.00885	2.2
89.02451	54.1
93.07126	0.5
95.01398	3.6
97.90028	0.4
98.03777	0.6
99.04531	6.1
101.02451	23.9
111.04536	1.1
113.02457	17.8
119.03511	25.1
120.03872	0.6
131.03542	2.9
132.82739	0.5
139.05191	0.4
143.03528	3.6
149.04581	1.7
150.06970	0.9
161.04642	2.2
161.13371	19.4
162.13745	1.3
179.05641	7.7
187.11313	2.2
205.12341	44.9
206.12712	2.7
222.36604	0.5
249.11327	43.5
250.11655	2.7
385.19006	0.9
429.17462	6.6
430.18039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03448	1.2
58.00593	1.4
59.01382	100.0
59.98545	0.5
60.01707	0.8
69.49270	1.7
71.01385	49.5
72.01720	0.8
72.99310	1.8
73.02961	1.9
73.71024	0.4
81.07105	2.0
83.01385	2.0
85.02956	8.5
87.00898	2.1
89.02450	55.2
90.02784	0.7
93.07130	0.4
95.01390	3.0
98.03764	0.7
99.04517	5.6
101.02450	23.6
103.04048	0.5
111.04513	1.2
113.02457	17.4
113.06133	0.5
119.03513	25.1
120.43357	0.5
125.02439	0.5
131.03516	2.6
143.03496	3.4
149.04503	1.5
150.06854	0.7
161.04602	3.0
161.13373	19.4
162.13609	1.3
179.04288	0.5
179.05650	5.5
181.72586	0.4
185.16263	0.5
187.11281	2.1
188.00404	0.4
192.04276	0.4
205.12343	42.8
206.11125	0.4
206.12679	4.1
207.06531	0.5
226.24806	0.4
249.11337	42.8
250.11647	3.0
294.36816	0.5
342.13541	0.4
385.18414	1.0
429.17673	5.3
434.40924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66540	0.3
59.34325	0.3
61.22282	0.4
69.97313	0.6
79.40105	0.3
84.93860	0.3
98.22530	0.3
99.92593	5.8
100.93372	45.7
101.81306	0.3
101.93394	1.7
115.92087	100.0
116.92092	4.3
116.92871	7.7
132.92358	1.0
142.94397	0.7
172.95465	6.7
255.23299	1.4
355.15991	0.7
381.17389	0.8
387.10294	0.3
411.18484	0.4
420.25378	0.4
429.19446	3.5
430.19815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82677	0.4
52.45803	0.4
57.03445	0.4
59.01385	100.0
60.01724	0.8
60.19209	0.5
63.12636	0.4
69.59982	1.5
71.01386	3.8
73.02956	4.3
75.52697	0.4
80.04865	0.4
83.01404	1.0
85.02978	1.3
89.02467	1.4
94.68909	0.4
98.22577	0.9
101.02450	3.7
113.02473	1.9
119.03518	0.7
137.09770	0.6
161.04625	1.8
162.92096	0.4
163.11325	0.8
165.10530	0.4
189.12904	3.1
197.08302	0.5
207.10397	1.5
207.13881	2.6
225.15030	1.1
329.63806	0.5
369.15665	0.8
387.20407	1.2
429.17780	6.7
429.23499	0.9
430.18015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01725	1.1
64.43506	0.4
69.04702	1.9
69.05122	1.0
71.01391	1.6
73.02941	2.7
74.75435	0.4
83.01395	0.7
85.02991	0.4
98.22602	1.1
101.02475	1.6
105.37589	0.4
113.02464	0.4
119.03495	0.5
163.11374	0.8
207.10289	1.6
207.13921	0.6
220.95985	0.4
239.05267	0.4
351.77435	0.4
369.15372	0.6
387.16687	0.8
429.17651	8.4
430.17819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31899	0.4
55.01880	0.6
57.41505	0.3
59.01384	100.0
60.01722	1.3
61.98853	0.4
71.01382	11.3
71.42244	0.4
72.99318	0.8
73.02964	1.4
83.01406	1.0
84.77521	0.4
85.02965	2.8
87.00908	0.7
89.02449	11.2
91.13519	0.4
95.01381	0.7
99.00941	0.7
101.02436	4.6
108.02185	3.1
108.05470	0.4
109.03022	0.7
113.02457	3.7
113.25918	0.5
117.34502	0.4
119.03504	4.8
131.03532	0.7
137.09734	0.7
143.03519	1.0
152.01173	5.3
153.01614	0.6
161.02541	0.7
161.04562	1.0
161.13380	0.8
179.05647	1.3
205.08502	0.9
205.12399	1.1
207.10127	1.2
225.09857	0.5
249.11365	2.8
347.17245	1.6
369.15253	2.5
370.15570	0.5
371.55124	0.5
387.20331	1.0
429.10492	1.7
429.17081	0.6
447.11642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	1.2
67.77181	0.3
71.01373	0.4
74.02478	0.5
74.04759	0.3
79.95742	0.4
85.02974	1.5
93.03528	0.4
98.22611	1.0
101.02444	0.4
119.05043	0.5
119.23087	0.3
123.08215	1.1
124.08563	0.7
163.04005	0.5
163.29150	0.3
164.04366	0.8
180.06683	4.8
181.07002	3.3
242.10379	0.4
243.10747	0.5
246.54053	0.4
261.17120	0.5
304.15851	0.4
305.16019	0.5
348.14554	1.1
349.14886	8.8
350.45938	0.4
403.38049	0.3
409.35394	0.3
429.10547	8.7
430.10361	1.5
430.20886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30978	0.3
50.79689	0.4
54.64983	0.4
57.03444	0.5
59.01383	100.0
60.01717	1.4
69.24348	2.3
71.01386	8.2
73.02959	2.1
83.01391	0.7
85.02961	3.1
87.00877	0.6
89.02451	7.0
99.04530	0.4
101.02439	6.2
107.89320	0.4
109.06544	0.3
109.80534	0.5
113.02465	3.7
119.03496	3.2
161.04616	1.6
161.13446	1.6
179.05597	1.1
205.12375	3.4
216.29123	0.4
243.72115	0.5
249.11253	2.9
270.68600	0.4
304.78409	0.4
346.71014	0.5
369.19110	0.8
381.98822	0.6
387.20261	2.7
398.72684	0.4
399.79926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31329	0.4
55.01886	0.6
57.48117	0.3
59.01384	100.0
60.01722	1.2
61.98840	0.8
64.28206	0.3
71.01385	12.0
71.38770	0.5
72.99329	0.6
73.02957	1.9
73.25226	0.3
75.40057	0.3
79.02023	0.4
83.01414	0.7
85.02950	3.4
87.00918	0.9
89.02448	11.0
95.01420	1.0
101.02449	6.6
104.16772	0.4
106.26159	0.3
108.02185	3.6
109.02991	1.5
113.02459	5.2
119.03508	5.2
130.09050	0.4
131.03552	0.7
135.04539	0.4
137.09746	1.1
143.03510	0.7
152.01173	7.2
161.02522	0.8
161.04576	1.7
161.13361	0.9
170.97682	0.3
179.03516	0.4
179.05679	1.4
185.00989	0.4
205.08629	1.0
205.12389	0.8
207.10161	1.5
249.11440	1.8
264.44473	0.4
276.95609	0.4
312.69894	0.4
347.17267	1.7
369.15125	2.0
387.20261	0.8
429.10284	2.1
429.16104	0.4
430.10651	0.5
447.11710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13025	0.4
59.01385	100.0
60.01716	0.9
60.11696	0.4
60.93232	0.4
61.86405	0.4
71.01408	0.9
74.02515	1.0
85.02988	0.8
97.33719	0.5
98.22620	1.1
99.77767	0.5
101.02473	0.5
119.05080	0.5
123.08166	0.7
124.08515	0.6
180.06705	3.4
181.06985	2.7
348.14786	1.5
349.14868	6.4
350.15067	0.5
390.70920	0.4
429.10629	5.6
430.10718	1.5
430.20615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.118
Annotation	SB 228357
Peak:m/z	Relative Intensity
57.03446	1.9
58.41068	0.8
59.01382	16.5
60.50918	0.7
65.09254	0.8
69.11566	1.8
69.11968	3.3
71.01402	4.3
72.00906	2.8
74.02482	22.1
79.95749	8.2
85.02982	2.0
89.02454	4.5
93.03464	3.7
96.96027	1.5
97.06606	5.0
101.02449	1.6
106.04263	1.1
107.05006	1.5
113.02496	0.9
113.14474	0.9
119.03522	1.6
119.04395	0.9
119.05051	10.0
123.08172	2.7
125.09735	26.7
126.10085	1.5
134.06125	7.9
136.07710	2.2
142.12363	3.0
161.13425	0.9
162.05621	4.8
163.04033	15.7
168.10274	1.2
171.10237	0.9
180.06679	79.3
181.07014	3.6
182.11902	6.3
186.11334	1.6
200.12976	2.7
205.12393	1.2
214.01775	5.8
226.10857	12.1
227.11066	1.2
244.11948	9.2
249.11377	1.0
259.17902	0.8
262.18188	1.3
267.75558	0.9
269.18103	0.8
288.16068	5.3
306.17114	4.9
350.16107	98.8
351.16425	10.7
430.11786	100.0
431.12134	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	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
59.32597	1.1
61.98837	100.0
70.44073	2.8
84.28329	1.1
85.02962	1.1
99.08549	1.2
101.02424	1.2
113.02445	1.7
125.61331	1.1
131.27985	1.2
151.09518	1.1
160.72006	1.2
209.88023	1.2
237.12271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
59.01384	100.0
59.71780	1.4
60.01718	6.2
70.38946	2.8
71.01395	6.0
72.61131	1.5
73.02954	3.1
78.95920	2.5
84.86781	1.5
85.02954	10.4
87.00898	2.5
89.02458	3.9
96.95989	1.8
96.96990	2.5
99.00888	1.6
101.02460	4.7
106.22132	1.4
111.00915	2.0
113.02473	3.3
115.00365	1.4
133.02986	1.9
135.04541	5.9
139.66167	1.7
159.02980	2.5
161.02422	3.3
161.04608	3.2
179.03473	4.6
218.59990	1.7
229.85387	1.5
241.06120	2.3
253.49274	1.5
294.24194	1.4
430.17664	1.9
431.18689	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	430.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03460	2.1
58.00600	1.5
59.01386	100.0
60.01709	1.2
61.98832	2.1
66.03494	2.1
69.39867	0.9
71.01389	48.2
72.01703	1.4
72.99319	2.8
73.02962	3.2
83.01386	2.7
85.02954	12.3
86.25194	1.0
87.00894	3.0
89.02454	51.2
95.01405	3.8
99.04482	0.9
101.02455	27.6
113.02464	18.6
119.03515	23.4
131.03513	2.2
133.02983	1.6
135.04483	1.1
137.09720	2.3
143.03500	3.8
149.04610	1.2
155.10815	13.1
156.11171	1.1
161.02454	1.1
161.04532	1.9
162.13680	1.2
176.04083	2.9
179.05682	3.6
191.05563	1.4
204.14066	1.2
206.12764	1.6
206.15508	11.1
207.15924	1.0
243.82310	1.0
249.11278	1.3
250.11774	2.0
250.14456	25.5
251.14937	1.4
268.16260	1.0
429.62268	2.3
430.21347	10.1
431.22552	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98841	27.8
65.07184	10.2
66.11195	10.4
71.01386	70.3
71.39226	13.9
80.94631	10.5
85.02971	37.9
89.02454	51.1
101.02444	20.9
112.31644	11.0
113.02460	21.4
115.00383	12.6
119.03468	12.5
121.02979	23.4
133.02992	20.7
137.56317	10.3
151.74712	10.8
151.77350	11.4
161.02477	44.9
162.02826	27.4
179.05650	20.6
197.04601	24.2
215.96623	11.9
269.10358	13.9
405.07425	11.8
430.14340	40.6
442.70502	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	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
57.03452	5.1
59.01090	5.1
59.01385	100.0
59.01822	4.4
60.01704	7.2
71.01395	30.6
72.99332	4.4
73.02952	6.1
74.02454	10.1
83.01413	5.5
85.02961	39.3
86.03291	5.0
89.02455	9.2
93.03455	22.8
101.02449	13.1
111.00882	6.5
113.02418	6.6
115.00374	13.6
119.03493	4.6
125.02421	7.1
129.01929	8.4
133.01448	6.3
134.49014	3.4
137.02455	38.2
153.09250	5.5
154.09581	4.8
155.10812	49.2
161.04597	5.9
165.09303	4.1
168.00648	9.0
174.01697	21.1
174.05504	4.1
179.11922	5.4
185.17783	3.6
197.08330	3.7
198.08524	7.3
199.09798	57.0
205.03503	4.7
223.04672	4.5
244.19295	3.7
265.93079	3.8
315.10883	5.1
331.06747	8.3
402.03098	3.9
405.48611	3.8
430.17676	5.0
431.11411	26.5
431.19138	8.2
454.68835	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70958	5.9
59.01382	100.0
61.98835	13.8
63.03810	5.1
67.03036	4.7
69.15136	38.5
69.80511	5.6
71.01382	29.1
73.02943	13.1
74.01202	4.9
81.21644	5.2
85.02950	32.5
89.02446	28.0
92.05054	7.4
93.03488	6.4
98.22696	12.3
101.02461	19.8
109.06505	6.9
113.02461	18.4
119.03522	13.9
129.01971	7.6
133.03011	6.5
135.04555	16.2
136.04044	17.8
137.02464	9.0
137.06097	11.6
151.04063	8.8
154.10895	5.6
159.03052	7.2
161.02458	16.4
161.04605	8.0
179.03532	22.0
179.05565	12.6
189.12776	6.2
191.01976	8.1
200.46106	5.5
207.10217	5.5
209.07948	7.8
213.06735	14.1
217.05055	5.7
241.06339	7.6
430.12515	8.6
430.17163	14.1
430.22644	9.9
431.14191	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01383	100.0
60.01711	2.3
62.59630	0.8
64.04871	0.8
66.03490	2.7
70.69664	1.7
71.01385	46.4
72.99301	1.0
73.02946	1.3
77.20815	0.8
83.01389	2.1
85.02954	9.0
87.00906	1.4
89.02451	53.6
95.01384	3.4
95.65713	0.7
97.50945	0.8
101.02449	29.1
101.03118	1.6
113.02456	17.4
119.03510	20.4
131.03526	2.5
137.09676	1.9
143.03516	3.5
149.04556	1.3
155.10783	15.5
161.04605	2.1
179.05592	3.3
204.13791	1.0
206.15504	14.1
250.14493	26.7
251.14836	2.3
430.20789	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	430.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40421	18.4
59.01370	43.3
61.98825	52.3
69.60918	61.2
73.51627	19.2
82.61957	21.3
96.96022	94.5
96.96933	24.9
99.92587	27.0
118.89987	42.8
119.05030	26.9
126.06458	24.8
145.02927	100.0
163.04108	32.0
215.13145	24.6
275.02786	23.4
293.11960	19.3
294.13229	22.0
371.09790	23.2
384.52411	20.9
431.24561	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	431.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	15.3
69.54484	6.1
73.56896	1.5
85.44169	1.6
88.98811	100.0
89.99169	1.9
120.49438	1.6
129.67993	1.5
133.02979	3.4
161.02463	24.1
166.08998	1.7
179.03479	3.8
210.47797	1.6
230.71815	1.7
288.07492	1.7
341.08951	11.9
349.86224	1.8
437.01532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30880	0.7
59.01384	6.7
60.99306	15.7
61.98825	2.6
67.01384	0.8
71.01392	4.7
71.40730	1.4
73.02943	1.0
74.02499	1.6
74.95801	0.8
85.02979	5.8
88.98816	100.0
89.02457	4.5
89.49976	0.8
89.99172	1.0
99.00900	2.3
101.02462	1.8
104.03603	0.9
110.04726	0.7
113.02455	1.3
119.05081	1.0
120.99643	1.3
121.20049	0.8
129.01993	1.1
129.06706	1.1
129.10394	0.7
133.02954	1.4
135.04480	1.2
161.02461	7.4
179.03552	1.5
191.01988	1.1
195.91339	0.8
209.02888	0.8
252.02568	0.8
337.40814	0.8
341.08929	4.0
431.15448	3.4
431.21500	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	1.3
60.99308	14.3
69.21225	5.5
71.01388	3.0
72.99315	1.5
73.93517	1.2
78.81395	1.4
85.02964	4.9
87.00895	1.3
88.98812	100.0
89.02459	4.0
89.48782	1.1
119.05035	5.3
133.01329	1.8
135.04578	1.6
158.09734	1.3
163.03999	2.5
191.02083	1.4
195.35461	1.5
200.99663	7.4
209.03104	2.7
228.97560	3.9
233.84779	1.3
356.47516	1.3
442.82407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75267	0.6
59.01381	7.0
69.07305	3.8
71.01391	23.0
73.71204	0.5
85.02959	0.7
85.93510	0.5
89.02429	0.6
98.22723	1.2
101.02467	0.6
106.41632	0.5
115.00385	16.1
116.00697	0.7
116.41664	0.6
132.62526	0.6
133.01456	3.5
137.09731	6.3
141.73024	0.5
155.10796	93.8
156.11087	4.2
199.09776	100.0
200.10097	5.3
245.72687	0.5
305.96164	0.6
315.10880	10.0
316.11307	0.7
431.11694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.1
67.81306	0.5
71.01386	5.7
72.80245	0.5
85.02965	1.4
87.00917	0.8
88.98839	1.0
89.02451	100.0
90.02767	2.0
92.48714	0.6
101.02448	3.8
113.02451	2.1
119.03512	2.4
127.51908	0.6
128.36501	0.6
143.03450	1.1
161.04482	0.6
179.05676	4.4
186.72868	0.6
341.10904	15.4
342.11215	2.1
431.12308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
59.01373	1.6
68.65909	1.3
78.95912	10.3
81.03463	3.9
83.05033	46.2
84.05360	1.5
93.03461	1.2
96.96015	1.8
98.22643	2.9
107.05038	23.0
109.02962	3.1
110.98545	3.8
119.04990	1.3
131.05042	10.3
145.06575	2.3
146.03711	4.3
147.04533	77.9
148.04878	4.5
150.94707	1.6
152.99611	8.4
171.04524	1.8
172.21358	1.2
173.06076	3.0
175.03978	4.9
179.08812	1.5
183.08130	1.8
195.06583	4.0
195.08165	3.7
197.06056	4.5
197.09674	2.6
198.06891	1.9
199.04208	2.1
203.07170	2.3
207.08199	2.7
211.07626	4.2
223.07639	12.6
223.94487	1.3
224.08299	3.1
225.05458	1.6
225.09178	4.9
227.07147	1.5
228.07910	12.3
235.07597	1.5
239.07133	2.3
251.07088	8.3
252.07858	2.0
253.08731	5.9
261.09183	10.6
283.29321	1.5
287.10669	1.9
289.08762	10.7
311.10770	1.9
313.08768	2.2
313.12332	2.0
314.09204	2.1
315.10327	6.8
325.12326	4.3
327.10114	3.9
327.13885	9.3
328.11136	2.8
337.12320	3.1
339.10269	1.6
340.10962	2.3
341.08075	2.3
342.12427	3.8
343.09564	3.7
343.13321	8.0
348.10028	11.8
353.11713	6.1
354.12369	1.8
355.09467	3.1
355.13327	5.8
356.10184	6.3
361.10931	3.3
370.11981	2.4
371.12924	18.4
372.13254	2.1
374.11694	2.5
384.09973	5.9
384.56671	1.5
399.12387	100.0
400.12686	13.5
431.14996	6.7
431.27817	1.8
432.15063	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.2
59.01385	5.5
69.03468	0.3
70.11267	0.2
71.00987	0.2
71.01385	4.1
71.57897	0.2
71.77719	0.2
72.99322	0.2
73.02950	0.5
74.02484	0.7
81.03458	0.3
85.02950	1.2
87.00866	0.2
89.01929	0.2
89.02451	4.9
97.02958	0.3
101.02444	0.9
103.33702	0.2
113.02443	0.5
115.33516	0.2
119.03513	0.4
122.03754	10.0
123.04080	0.4
125.02470	1.4
125.09740	0.5
126.10036	0.2
130.56598	0.2
131.03516	0.9
135.04510	0.4
137.06097	100.0
138.06442	4.1
149.04553	1.5
155.10828	0.3
161.02420	0.5
161.04590	0.3
164.04381	0.2
179.03496	0.4
180.06696	1.0
181.07028	0.9
191.05650	0.9
199.09854	0.4
233.06667	0.7
269.04523	1.8
293.08875	1.7
350.16208	0.3
351.16467	2.2
431.11392	1.8
431.21036	0.3
432.12170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01694	1.4
63.31992	1.1
70.04285	3.0
71.01383	2.9
85.02949	1.4
93.03454	1.6
135.04541	1.4
167.07152	1.6
199.09734	1.9
298.67444	1.1
351.86887	1.5
431.11746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77287	0.2
57.03448	0.2
59.01381	5.7
67.15768	0.2
69.03442	0.3
71.01385	4.4
73.02956	0.4
74.02471	0.3
78.60750	0.2
83.01385	0.3
85.02956	1.3
87.00888	0.3
89.02458	5.0
95.01369	0.2
97.02939	0.3
98.21930	0.5
101.02448	1.3
109.14024	0.2
109.52811	0.2
111.37100	0.2
113.02446	0.9
119.03488	0.5
119.05028	0.2
122.03753	9.7
123.04108	0.4
125.02468	1.4
125.09777	0.4
131.03542	1.2
134.06137	0.2
135.04526	0.3
137.06096	100.0
138.06450	3.8
143.03505	0.3
149.04568	1.6
154.02766	0.2
155.10788	0.3
161.02557	0.3
164.04436	0.2
179.03529	0.3
180.06685	0.9
181.07014	0.6
191.05659	0.7
199.09718	0.4
226.10823	0.3
233.06718	0.5
251.57069	0.2
269.43173	0.2
287.65594	0.2
293.08826	1.9
294.09140	0.2
350.16165	0.3
351.16467	1.9
431.11472	1.8
431.21500	0.4
432.11606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	1.5
57.03448	2.8
59.01386	100.0
69.28326	9.2
71.01385	64.3
73.02947	11.7
83.01388	4.4
85.02955	14.4
89.02454	73.3
94.79279	2.0
99.00902	5.2
101.02449	37.5
101.28495	2.0
113.02472	18.7
119.03551	14.2
119.05023	27.3
125.02456	2.4
131.03477	15.7
137.06082	2.6
143.03497	2.8
149.04565	23.3
161.04660	3.3
179.05609	4.4
191.05611	10.9
194.96460	1.7
197.04321	1.8
233.19041	1.9
239.05779	3.3
263.12836	1.7
294.36151	1.9
299.11377	34.7
431.15634	71.6
432.16068	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01384	100.0
60.01712	1.1
64.54829	0.4
69.17850	0.9
69.18255	1.9
71.01382	4.8
73.02949	3.2
80.29298	0.4
83.01400	0.6
85.02950	4.4
87.00888	0.4
89.02464	3.2
99.00915	0.6
101.02450	4.5
113.02472	2.1
119.03519	1.5
119.35972	0.4
123.04517	4.4
131.03505	0.6
133.03015	0.8
135.04561	1.7
137.06094	0.8
143.03584	0.7
147.03052	0.6
149.04558	0.7
149.06070	2.1
155.10837	1.4
161.02489	1.5
161.04605	0.9
167.07158	0.5
179.03586	1.4
191.01970	1.0
199.09814	1.3
203.05629	0.5
289.16357	0.4
313.57172	0.5
374.34192	0.4
381.92761	0.4
431.13931	0.8
431.19141	1.2
432.13174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01384	100.0
60.01712	1.1
64.54829	0.4
69.17850	0.9
69.18255	1.9
71.01382	4.8
73.02949	3.2
80.29298	0.4
83.01400	0.6
85.02950	4.4
87.00888	0.4
89.02464	3.2
99.00915	0.6
101.02450	4.5
113.02472	2.1
119.03519	1.5
119.35972	0.4
123.04517	4.4
131.03505	0.6
133.03015	0.8
135.04561	1.7
137.06094	0.8
143.03584	0.7
147.03052	0.6
149.04558	0.7
149.06070	2.1
155.10837	1.4
161.02489	1.5
161.04605	0.9
167.07158	0.5
179.03586	1.4
191.01970	1.0
199.09814	1.3
203.05629	0.5
289.16357	0.4
313.57172	0.5
374.34192	0.4
381.92761	0.4
431.13931	0.8
431.19141	1.2
432.13174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1842
Annotation	Sinensol E
Peak:m/z	Relative Intensity
59.01377	55.2
69.11590	89.4
71.01392	24.3
73.02958	18.1
77.22971	14.2
82.62602	12.3
83.05022	15.7
85.02962	11.7
101.02460	14.6
111.04527	83.5
197.04652	12.4
247.13359	27.1
251.12961	34.3
261.14899	31.2
345.16995	58.1
363.18130	21.9
373.07895	12.4
396.23993	13.1
431.18347	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	431.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	47.8
61.98838	64.3
61.99108	10.4
69.50361	46.7
71.01385	41.3
72.73357	11.4
73.02945	15.0
82.68198	14.0
83.05032	20.2
85.02956	42.4
98.22639	27.3
99.00873	36.7
111.04528	100.0
115.00464	11.5
117.95526	12.1
118.92605	14.7
134.79501	12.2
147.03038	18.4
155.10802	14.9
161.02484	17.6
247.13490	16.7
261.14929	14.9
345.16949	43.6
363.18167	40.4
442.34088	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20174	1.5
57.03432	1.9
58.00571	2.2
59.01385	100.0
66.26836	1.5
70.87197	2.5
70.87572	1.6
71.01384	34.1
72.99299	1.5
73.02959	6.7
83.01404	2.6
85.02953	22.3
87.00877	2.0
88.97926	1.8
89.02452	32.1
89.02966	2.9
95.01396	3.6
96.95977	1.6
99.04524	13.5
101.02453	23.8
103.40795	1.5
111.72062	1.7
113.02447	12.0
119.03529	13.4
133.02954	2.6
135.04543	3.0
137.02512	1.8
161.02477	5.0
161.04568	3.2
161.55104	1.7
179.03513	2.4
179.05569	3.9
191.01941	3.9
207.13937	22.4
239.05431	1.8
251.12894	92.9
252.13150	6.2
256.70819	1.7
327.57220	1.7
335.83978	1.9
366.12061	2.0
431.13416	2.9
431.18936	24.6
432.19846	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14102	0.7
56.30584	0.7
57.03469	1.4
58.00591	1.0
59.01384	68.2
66.77654	0.7
71.01386	27.3
72.99326	0.8
73.02989	1.1
83.01369	1.4
85.02958	7.8
89.02454	23.0
95.01404	2.5
98.03768	1.2
98.21799	1.4
99.04529	26.8
99.46471	0.8
100.04880	1.4
101.02451	13.8
106.59763	0.8
111.04598	0.8
113.02452	9.2
119.03490	9.9
121.06578	1.0
124.89744	0.8
129.40050	0.8
134.03755	1.5
143.03491	1.7
171.11842	0.8
179.05609	1.9
189.12857	6.4
191.02019	1.6
193.05095	2.5
207.13921	31.6
208.14275	3.0
233.11896	1.4
251.12898	100.0
252.13188	8.1
269.14008	2.0
431.19180	41.6
432.19397	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	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34958	0.2
54.62115	0.3
62.96405	0.3
69.22933	1.2
78.95910	58.4
87.53130	0.2
96.96029	0.3
96.96966	6.0
132.03088	0.2
150.98024	1.8
152.99600	100.0
153.99945	1.7
167.01207	0.5
170.93922	0.3
171.00650	3.5
254.07672	0.3
262.98718	0.3
263.20169	2.8
277.21774	0.5
431.22067	5.8
432.22461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17847	0.3
61.56874	0.2
69.17673	0.4
69.18074	1.0
78.95911	51.7
96.95979	0.4
96.96971	7.1
105.75334	0.2
123.95210	0.2
150.98012	1.6
152.99603	100.0
153.99980	1.5
171.00658	4.1
262.21899	0.3
277.21753	0.7
431.22049	4.3
432.22614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76519	0.3
62.77303	0.3
69.84453	1.0
78.95908	56.7
79.86222	0.3
96.96965	6.9
98.21928	0.3
105.44387	0.3
120.05489	0.3
134.28059	0.3
139.86748	0.3
150.98029	1.8
152.99597	100.0
153.99944	1.5
171.00644	4.3
271.43561	0.3
277.21780	0.8
293.00690	0.4
301.68631	0.3
431.22073	4.5
432.22266	0.5
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
53.77694	0.2
55.18114	0.3
70.02293	0.6
78.95911	73.1
96.96967	5.4
101.34505	0.2
150.98033	1.6
152.99602	100.0
153.99973	1.4
163.44373	0.2
171.00652	3.2
180.57542	0.2
277.21765	1.1
378.11911	0.3
431.22064	8.7
432.22607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66121	0.4
55.01882	0.9
57.03452	1.2
58.00561	0.5
59.01384	100.0
60.01722	2.0
68.31831	0.5
69.03474	0.8
71.01389	22.4
72.01737	1.6
72.99300	0.6
73.02952	32.3
74.03297	0.7
83.01391	6.4
85.02960	6.8
87.00895	0.9
89.02450	11.5
90.22137	0.4
95.01422	1.7
97.02988	1.1
98.03749	0.7
98.21870	0.7
99.00909	1.0
99.04561	0.6
101.02452	24.2
102.02815	0.7
102.80217	0.4
103.39469	0.4
111.08192	1.6
113.02463	12.4
114.02801	0.5
119.03507	5.3
120.03833	0.6
121.31992	0.4
125.02460	0.9
131.03519	2.4
143.03568	1.9
149.04597	1.6
153.09224	8.8
155.03532	0.5
155.10822	1.5
156.11157	0.6
161.04558	5.4
163.99945	0.5
179.05658	1.1
189.12787	0.6
191.01997	1.0
203.05676	0.6
206.15770	0.7
207.14066	0.6
207.15938	1.5
209.15492	8.6
227.16621	1.6
233.11845	5.8
233.13910	0.5
250.14531	1.1
251.14938	1.3
371.20706	4.4
389.21881	2.8
395.17273	3.3
431.23181	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93959	0.4
57.03442	0.7
59.01383	100.0
60.01731	0.8
61.98840	0.7
68.19636	0.4
70.03121	0.4
71.01382	5.9
71.16875	0.3
73.02959	2.6
83.01390	0.6
85.02949	2.0
89.02477	2.1
98.21844	0.7
99.00912	0.5
99.92080	0.4
101.02445	3.4
111.08213	0.4
113.02449	2.5
119.03512	1.1
135.04561	0.4
143.03529	0.4
147.79704	0.4
155.10803	0.5
158.96497	0.4
159.03043	0.6
161.04562	2.8
179.05696	0.5
183.10251	0.5
196.66362	0.4
199.09814	0.5
268.03751	0.5
269.04660	0.5
317.65573	0.4
431.10077	0.8
431.23306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93959	0.4
57.03442	0.7
59.01383	100.0
60.01731	0.8
61.98840	0.7
68.19636	0.4
70.03121	0.4
71.01382	5.9
71.16875	0.3
73.02959	2.6
83.01390	0.6
85.02949	2.0
89.02477	2.1
98.21844	0.7
99.00912	0.5
99.92080	0.4
101.02445	3.4
111.08213	0.4
113.02449	2.5
119.03512	1.1
135.04561	0.4
143.03529	0.4
147.79704	0.4
155.10803	0.5
158.96497	0.4
159.03043	0.6
161.04562	2.8
179.05696	0.5
183.10251	0.5
196.66362	0.4
199.09814	0.5
268.03751	0.5
269.04660	0.5
317.65573	0.4
431.10077	0.8
431.23306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63579	0.2
69.08651	0.7
69.09073	1.2
78.95907	1.1
88.98816	0.7
89.02470	0.3
89.84057	0.2
96.97012	0.3
99.08217	0.3
101.47012	0.2
117.03481	17.2
118.04258	1.1
119.05041	27.2
120.05364	1.1
121.02977	0.8
123.04559	0.3
133.02957	0.3
145.02969	100.0
146.03317	4.1
152.99596	2.5
158.23207	0.2
163.04024	19.6
164.04359	0.8
174.14142	0.3
265.18121	0.3
267.19681	2.4
284.46481	0.3
285.20737	7.6
286.21109	0.8
298.89136	0.3
301.21646	0.8
341.20935	0.6
413.23395	0.6
431.24414	25.2
432.24829	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05798	0.8
78.95905	0.8
85.53172	0.3
115.12862	0.3
117.03479	16.8
118.04225	1.1
119.05042	25.6
120.05387	1.3
121.02979	0.8
123.04550	0.5
133.03027	0.3
139.12206	0.4
145.02974	100.0
146.03331	3.9
152.99571	1.1
163.04028	20.3
164.04375	0.9
267.19592	2.0
285.20740	7.8
286.20999	0.8
413.23370	0.4
431.24414	25.9
432.24759	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	432.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.6
59.01381	100.0
62.78772	9.8
69.40296	22.6
69.40659	49.5
71.01391	25.6
71.78696	10.3
79.83307	10.0
85.02945	91.1
85.34461	10.4
93.03472	24.9
98.21931	21.7
129.01909	12.0
137.02458	33.6
138.02792	21.0
148.35547	9.7
155.10825	44.3
156.11151	39.7
162.12695	10.5
177.55711	10.3
191.02025	36.3
191.59579	10.1
199.09773	45.4
200.10143	55.7
452.05225	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	432.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20671	43.2
53.83423	39.2
53.87071	48.4
59.01371	100.0
72.94431	49.7
117.29539	49.7
124.91592	47.2
153.08916	42.9
158.10866	49.1
196.91492	54.4
251.21547	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	432.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12994	26.2
57.85817	25.5
59.01368	30.1
66.03699	27.1
69.29707	26.3
69.38284	100.0
69.38682	66.5
107.76128	28.1
134.65889	28.4
139.59914	28.0
284.40036	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	432.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86237	42.1
55.86045	50.1
61.98838	72.8
120.42922	52.3
129.58629	54.1
134.00040	43.8
145.02995	100.0
192.95892	51.6
273.40973	47.6
282.81006	50.1
322.93433	48.8
357.37750	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63454	22.8
51.44211	30.3
59.01382	58.0
59.88562	25.7
69.70274	45.2
69.70642	62.1
97.06586	35.2
100.64721	26.3
127.37647	27.2
145.32681	26.1
198.22838	28.4
231.10274	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	433.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71549	0.5
59.01381	1.8
62.06139	0.4
69.03451	0.5
69.19730	2.8
71.01370	1.0
85.02944	1.3
88.02332	0.5
89.02450	0.8
95.01402	0.8
97.02920	0.7
98.21902	1.2
103.19170	0.5
109.09004	0.5
123.00906	6.8
124.01677	24.6
125.02473	21.0
127.35241	0.5
149.99597	37.7
151.00005	1.0
167.03552	0.6
168.00655	97.7
169.01295	5.2
239.05685	1.1
246.52473	0.6
257.06741	1.0
301.05536	3.0
309.24435	0.5
355.80573	0.5
415.08688	1.3
433.09891	100.0
434.10220	9.3
454.19934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76772	0.2
57.03475	0.3
59.01385	9.8
69.10471	0.2
69.13626	1.7
71.01387	12.5
71.05029	1.8
73.02986	0.4
83.01382	0.3
85.02978	1.1
86.40919	0.3
87.00883	0.4
89.02469	0.9
95.05021	0.3
97.06594	3.2
101.02468	1.0
101.51074	0.2
111.04516	0.4
112.98843	0.2
113.02460	0.8
115.00383	12.1
119.05045	1.2
123.08171	2.8
126.05575	0.3
133.01488	1.4
133.02989	0.4
135.04538	1.8
137.09709	0.9
139.11302	37.4
140.11649	1.7
151.00357	1.3
151.07675	0.7
154.05128	5.3
157.12364	1.2
161.02463	0.8
179.03513	1.9
182.04651	0.4
183.10199	0.4
201.11336	100.0
202.11684	4.6
219.10243	0.5
231.13994	0.4
234.12593	0.3
249.14934	1.0
271.06100	2.4
317.12451	7.2
318.12634	0.5
361.16589	0.3
433.14273	1.5
433.19852	0.4
434.21860	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	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.03445	0.8
59.01383	100.0
60.01715	0.9
65.88262	0.4
71.01385	7.0
73.02968	2.0
83.01409	0.8
85.02935	2.5
89.02471	1.8
95.01401	0.5
97.57511	0.4
98.21886	1.1
99.00924	0.5
101.02442	3.3
104.72036	0.4
113.02469	2.6
115.00399	1.6
119.03538	0.8
123.08175	0.4
131.03545	0.5
133.02994	0.8
134.03780	0.6
135.04536	3.4
139.11302	5.9
143.03545	0.8
155.77898	0.4
161.02510	1.7
161.04596	1.2
170.95575	0.4
175.07686	0.5
179.03503	3.7
180.03935	0.4
201.11342	15.8
202.11752	0.7
221.34837	0.4
251.12820	0.4
303.17984	0.6
315.79401	0.4
317.12537	1.5
317.16064	0.8
331.17801	0.8
347.17218	0.9
373.18719	0.7
389.18140	4.2
412.13922	1.1
432.63791	0.6
433.14441	1.0
433.19992	0.6
433.25183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.6
71.41344	1.7
82.67914	1.7
100.87089	1.5
101.02465	1.4
137.43625	1.9
147.39908	1.4
155.10793	100.0
156.11142	4.9
227.04466	1.7
229.08722	2.4
313.70856	1.5
326.18594	1.7
327.55057	1.6
333.23962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.74468	0.3
65.10028	0.4
69.98924	1.3
78.95911	61.8
82.91973	0.4
91.06023	0.4
96.96969	5.3
98.44706	0.4
100.66927	0.4
110.98537	2.4
113.91796	0.3
149.65955	0.4
150.98091	2.3
152.99609	100.0
153.99969	1.4
167.01183	2.6
171.00679	3.9
183.66309	0.4
185.02257	1.0
193.84482	0.4
253.72763	0.5
265.21747	23.3
266.02713	0.4
266.22061	2.2
279.23315	0.8
372.30966	0.4
381.02963	0.4
381.28223	0.4
433.23642	12.1
434.23953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03441	2.6
59.01384	100.0
60.01716	2.2
61.98837	1.6
71.01387	52.0
71.40453	1.1
72.99301	1.0
73.02950	10.2
81.03490	1.2
83.01389	4.0
85.02964	16.1
86.00120	1.8
87.00881	1.5
87.04523	2.5
87.32478	1.1
89.02458	29.1
95.01408	3.9
97.17568	0.9
99.00895	2.8
101.02451	29.2
101.03115	2.0
104.51366	1.1
106.23133	0.9
113.02457	16.6
115.00382	4.1
119.03521	12.3
121.50885	0.9
131.03503	2.8
133.02972	1.5
135.04543	8.1
139.11302	7.7
142.15001	1.0
143.03540	5.0
149.04527	1.7
153.71599	0.9
159.02983	2.9
159.06619	2.1
161.02412	2.5
161.04565	15.4
179.03552	6.4
179.05685	5.1
183.13991	0.9
201.11342	17.7
246.99121	1.0
255.11429	3.2
271.19232	4.4
273.16989	0.9
306.38916	0.8
317.16116	13.4
317.19553	1.3
319.17603	1.5
341.23901	1.0
345.19077	1.9
424.63943	1.3
433.13840	3.3
433.19724	1.3
433.24515	19.5
434.24744	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	433.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
66.96770	0.2
69.95761	0.7
117.03477	16.2
118.04354	1.6
119.05032	26.8
120.05354	0.7
121.02972	0.6
123.04604	0.2
128.63919	0.3
129.27252	0.2
141.12903	0.2
145.02962	100.0
146.03288	5.2
162.03262	0.3
163.04021	17.6
164.04366	0.8
269.21295	1.9
287.22336	8.9
288.22595	0.8
415.25027	0.8
433.25955	31.5
434.26303	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2598
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.65486	0.2
54.81414	0.2
56.17519	0.2
59.01402	0.4
69.21279	0.4
69.21664	0.4
93.03449	0.3
117.03477	16.3
118.04346	1.5
119.05041	26.3
120.05363	1.1
121.02976	0.9
121.95725	0.2
123.04551	0.3
133.02948	0.3
145.02971	100.0
146.03311	4.7
163.04028	18.4
164.04388	0.9
170.88237	0.2
269.21182	1.8
287.22272	8.3
288.22437	0.9
318.28912	0.2
415.24887	0.9
433.25961	33.8
434.26300	4.4
438.45792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66686	37.7
63.87696	39.4
71.09895	70.5
98.25392	46.3
140.79608	39.6
192.95877	100.0
240.34435	44.1
242.34358	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58578	0.9
50.97347	0.8
59.01383	8.3
59.77510	0.8
61.98835	100.0
70.45415	1.6
71.01392	2.2
73.02953	1.1
82.03029	1.0
85.02941	3.0
88.22833	0.9
89.33250	1.0
108.02207	1.2
108.17963	0.9
109.02968	11.5
110.06124	1.8
111.91569	0.9
113.86951	0.9
117.18227	0.9
135.04539	2.6
138.40286	0.9
145.02969	17.2
146.03764	18.3
147.04501	2.7
154.05096	4.2
157.02985	1.2
158.03761	2.7
159.04504	2.4
161.02448	3.3
163.03975	1.2
166.05104	1.9
168.06648	1.2
173.02454	11.4
175.03897	1.4
177.05608	2.3
179.03511	1.6
187.03999	1.8
190.02724	10.7
204.04289	2.9
205.05075	69.7
206.05426	4.0
217.05092	9.3
229.01433	2.0
249.05611	2.0
259.43896	1.0
261.04007	3.2
267.06653	5.5
277.04965	2.6
293.04404	1.1
295.06110	7.7
327.08740	22.9
328.09222	2.3
332.96710	1.1
339.05017	4.0
371.07742	33.0
372.08035	4.0
425.14584	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	434.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17655	5.8
58.92365	5.6
59.01381	87.8
61.00432	100.0
61.98825	6.6
65.04148	5.2
69.25976	26.9
70.69344	5.2
71.01390	42.2
76.40567	5.2
83.01379	10.2
84.42258	6.1
85.02937	25.0
86.03273	5.7
86.33389	5.0
86.54340	5.3
87.00860	5.7
89.02446	20.9
93.03475	5.2
95.01379	5.8
101.02444	24.7
113.02430	13.6
119.03500	6.7
122.32739	5.5
130.42935	5.5
133.02994	6.2
135.04561	38.1
161.02423	16.2
165.00256	7.1
167.01727	16.3
179.03526	41.4
185.02739	42.6
262.00674	5.6
262.88123	6.0
273.04239	7.0
347.07712	7.4
374.18158	7.4
391.15976	7.7
434.20297	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	15.7
59.01384	47.8
69.64566	7.1
70.02984	2.2
71.01373	2.5
72.00909	1.9
74.02483	32.6
74.34513	1.6
81.04561	3.1
82.02974	5.0
86.02480	12.5
86.06130	1.7
87.05630	5.3
88.04037	9.0
96.04549	4.9
98.22614	3.0
99.05003	2.5
99.05650	25.9
101.07226	4.9
102.05614	5.0
107.06141	2.2
109.04060	5.8
110.06129	2.3
111.05611	3.3
112.04052	4.3
123.05666	2.7
123.08109	2.1
124.04044	2.7
124.07703	3.1
125.03603	3.9
126.04304	2.2
127.05121	5.6
128.02582	3.3
128.03555	68.4
135.04686	2.3
135.05652	8.0
137.07242	2.5
138.09280	1.7
141.06705	5.0
143.04640	100.0
145.06200	4.3
146.04626	9.0
153.06659	7.3
154.05106	4.0
155.08424	2.2
161.10069	10.6
166.09816	6.0
167.04617	7.1
167.08307	4.2
168.06673	20.6
170.03296	3.4
179.04663	26.8
181.06168	3.4
185.05745	3.3
187.36433	1.6
192.07765	2.7
197.05708	5.7
210.08835	24.1
228.09969	2.2
231.10484	2.3
246.12703	3.3
246.47777	1.6
254.07849	55.6
255.08113	2.9
261.14886	6.6
272.06113	3.9
272.08920	52.2
273.09186	2.5
305.15344	6.7
342.17154	2.3
372.21741	2.8
401.18515	9.9
416.19928	12.0
417.19910	1.6
434.19666	67.1
435.19867	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	434.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.04241	58.2
103.01485	32.4
108.24257	32.5
108.88858	35.8
125.87306	34.6
179.64024	34.2
270.42807	32.1
359.87759	33.3
373.20328	43.8
419.38928	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	434.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55147	25.0
59.01374	27.3
61.37231	28.0
69.81900	100.0
77.25385	26.4
99.35969	29.0
116.68467	28.3
125.02673	27.1
135.04506	31.2
139.74805	25.0
214.08798	29.1
214.43008	30.3
233.76123	33.8
258.34970	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	434.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	69.2
69.83149	86.0
69.83508	100.0
76.84560	46.2
111.84702	44.7
156.15778	41.5
166.79002	39.1
182.97945	47.7
216.05061	43.9
231.50459	40.3
273.82327	47.7
444.41263	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53799	0.2
59.01383	2.2
61.98833	0.5
65.07861	0.2
67.34581	0.2
71.01382	0.5
71.05020	0.8
73.02934	0.3
80.05076	0.3
81.02205	2.4
82.02987	16.6
82.06610	0.4
85.02961	0.9
94.03001	0.5
95.05035	3.0
95.16657	0.2
97.06602	2.7
107.03777	15.7
108.04093	0.3
109.06606	0.4
110.06125	27.3
111.06469	0.8
113.02486	0.3
118.96478	0.2
122.03671	0.5
122.06130	3.7
123.08198	0.4
135.04546	0.7
149.09761	0.6
151.07639	5.2
154.05112	100.0
155.05452	3.2
161.02460	0.3
162.06935	0.3
165.09186	1.3
166.05106	30.9
167.05428	1.2
176.08328	0.3
177.09241	0.6
179.03491	0.8
179.87019	0.2
182.08226	1.3
187.07787	0.3
191.10783	0.6
193.08759	0.4
193.12184	0.2
202.09975	0.4
207.13885	0.8
215.10800	1.0
216.11534	0.5
219.10271	3.9
220.11008	1.4
231.13907	4.7
232.14320	0.5
233.11848	0.3
234.12619	3.9
249.14975	9.6
250.15373	0.6
252.40819	0.2
416.20706	2.8
417.21136	0.4
434.21838	17.8
435.22125	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	434.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	33.8
69.69594	60.9
69.69937	61.9
78.14465	32.1
81.17218	29.9
83.05064	48.7
98.22606	35.0
107.47031	32.5
112.96391	36.3
125.87434	31.9
127.87154	38.0
154.10883	32.1
154.55106	27.4
160.84215	36.3
162.84013	47.8
193.51375	33.7
286.81342	32.8
391.29559	77.9
397.12460	34.3
399.12000	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	434.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16289	22.7
59.01392	25.5
61.98833	33.6
69.06752	24.8
69.71249	22.0
70.81800	47.7
81.01884	23.7
92.07528	25.1
105.48160	26.0
175.43431	25.5
188.98534	23.7
246.68306	22.5
324.08459	25.6
329.64719	26.8
352.91522	25.1
391.29700	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.58328	2.4
70.50960	0.7
71.01385	17.0
72.99340	0.9
78.47333	0.7
79.01933	0.7
85.02972	2.9
87.37708	0.7
89.02451	27.2
95.01430	1.2
101.02446	10.9
109.06597	1.0
113.02470	7.9
119.03521	10.1
121.06604	6.0
123.08186	2.0
123.71533	0.8
131.03604	1.5
133.06633	2.2
136.05299	1.4
140.38914	0.7
143.03595	1.3
145.03151	0.6
146.92729	0.7
149.04538	0.7
149.28409	0.8
151.07677	9.1
153.90074	0.6
161.04533	3.3
165.05617	1.7
177.05672	1.0
179.05632	10.6
183.06682	1.0
195.06641	24.8
196.07077	1.8
213.07722	4.7
219.14207	0.8
297.24313	0.8
321.69281	0.7
375.12970	21.5
376.13556	2.2
392.38773	0.8
435.15628	2.4
438.82260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2026
Annotation	CHEBI:67659
Peak:m/z	Relative Intensity
51.75716	1.1
55.04808	1.0
58.31046	0.9
59.01384	100.0
65.03965	1.3
65.50939	1.0
69.44868	2.5
69.45245	3.3
71.05036	3.5
81.03450	3.3
83.01389	3.1
95.05025	1.7
97.06577	2.4
98.00146	1.5
98.22655	2.2
99.00877	4.0
103.78658	1.1
108.02134	1.6
109.02959	10.3
109.06631	1.0
111.00864	2.6
123.04528	1.9
123.08176	2.6
130.88889	1.0
141.05606	10.2
165.05574	1.9
165.09250	1.7
167.03532	3.5
183.06567	1.5
207.09904	1.1
207.13916	2.6
226.10037	1.2
227.10840	1.5
229.08565	1.1
229.12117	1.1
233.11836	3.1
241.12355	1.2
243.10178	1.7
247.13438	2.4
254.09575	1.5
255.10277	2.1
257.11850	3.2
259.13303	2.1
269.11868	2.8
270.12485	1.9
271.09772	9.4
272.10544	1.6
283.13348	2.7
284.14246	1.8
285.11258	2.1
286.12143	4.7
287.12900	6.6
299.13351	1.7
299.16534	8.1
300.13675	1.8
301.14429	5.3
304.13232	1.4
313.10904	2.2
314.11670	2.9
315.12448	2.3
315.16025	5.4
319.15619	2.4
328.12857	2.0
330.11069	1.4
343.15457	9.4
343.40118	1.2
344.15857	1.8
345.13422	3.4
346.14133	6.6
357.16898	2.6
363.14523	37.4
364.14755	5.4
375.18146	43.9
376.18478	5.0
393.19092	2.6
422.76682	1.1
435.20218	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	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.9
69.25882	1.8
69.68514	0.5
70.47148	0.5
71.01392	2.1
73.02961	0.7
75.00849	0.5
82.03008	1.2
84.72633	0.5
85.02986	1.8
85.03696	0.5
87.04522	3.4
94.03001	1.0
101.02480	1.5
122.99203	0.4
135.04590	0.6
154.05156	1.9
155.05467	0.7
161.02487	0.5
166.05147	0.6
179.05684	1.0
198.94896	0.4
199.13445	0.5
214.06528	0.5
229.08783	3.7
255.06628	2.1
273.07623	1.0
315.18448	0.6
333.19168	2.4
375.20520	1.2
410.85901	0.5
414.67712	0.5
417.21783	0.6
435.21960	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61437	0.5
57.03441	1.4
59.01386	34.8
70.37596	0.9
71.01383	2.3
73.02953	1.5
84.45871	0.4
85.02957	1.8
87.04521	100.0
88.04862	1.9
91.77849	0.5
99.00898	0.8
101.02444	1.0
103.04022	10.7
113.02483	1.0
161.04599	0.6
161.11879	0.9
183.13757	0.4
195.13980	0.6
207.11272	0.5
213.14975	15.2
214.15286	0.8
305.16089	2.0
393.21576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61983	1.0
55.98402	1.0
59.01087	2.2
59.01385	42.0
61.98841	8.1
69.56068	4.0
71.01380	3.1
73.02931	1.3
81.15041	1.1
85.02954	2.1
87.04523	100.0
89.02443	1.6
94.94247	1.1
99.00909	2.1
113.02447	1.2
133.01282	1.0
196.09843	2.0
305.16013	3.3
435.25610	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	435.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08689	1.5
59.01361	2.7
60.64647	1.5
70.08096	3.4
78.95915	24.6
85.37962	1.5
95.81771	1.3
98.22543	1.7
110.98538	9.4
116.85119	1.4
127.13461	1.6
132.87079	1.4
152.99596	12.5
167.01173	9.9
185.02200	3.9
267.23315	100.0
268.23737	8.8
435.25153	13.9
436.25552	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	436.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58587	2.6
59.01381	28.1
61.98836	11.7
65.03963	12.6
68.99825	11.6
69.36613	14.2
70.68898	2.8
71.01396	8.3
73.02955	4.1
78.72867	2.8
81.03464	22.3
83.01395	5.7
85.02942	4.8
85.41574	2.9
97.06587	3.6
98.21848	5.8
99.00890	28.4
100.01262	5.5
101.02436	6.3
104.11205	3.3
109.02959	73.9
113.02422	3.7
115.40891	3.0
116.92850	7.7
124.17214	2.7
125.09714	2.7
132.02191	22.4
133.02943	24.1
134.03766	13.8
135.04527	4.3
137.02507	6.4
137.94073	2.6
141.05591	95.2
142.05972	3.8
160.01663	57.7
161.02493	9.9
171.85406	2.9
172.56744	2.8
177.01978	9.4
178.02740	11.2
179.03575	4.4
195.87959	2.9
218.09492	3.5
221.08218	3.8
232.11119	3.6
247.13396	9.8
249.15047	20.7
251.12924	25.6
272.10599	3.4
275.09134	3.7
286.12039	6.3
287.12677	7.3
299.13116	5.0
299.16528	12.1
314.11740	6.9
315.12741	4.9
315.16125	9.3
316.16312	2.8
340.08029	52.0
343.15561	19.5
346.14215	9.4
375.18134	100.0
376.18484	13.4
393.19186	4.0
436.23663	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	437.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94438	0.4
56.25317	0.4
59.01371	0.7
66.39015	0.4
67.90310	0.4
69.21278	1.0
69.21682	2.0
70.21181	0.4
72.99310	1.7
75.00877	100.0
76.01215	1.0
89.73044	0.5
224.42657	0.5
310.72217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37124	0.6
59.01383	25.8
60.01703	0.8
61.98831	8.6
68.99789	0.9
71.01018	1.3
71.01387	12.7
72.99324	1.1
73.02942	1.3
75.00874	1.2
83.01393	1.7
85.02950	4.5
89.02446	9.1
95.01366	0.9
101.02462	6.6
109.02889	0.8
111.00937	0.9
111.69221	0.6
113.02450	4.4
119.03486	3.4
119.05009	1.7
128.03554	0.6
132.02129	0.8
133.02930	1.0
135.04512	1.6
143.03505	0.8
145.03008	0.8
156.06683	1.3
157.44550	0.6
158.03758	1.2
159.04500	3.5
160.01680	1.9
161.02498	1.5
161.04472	0.8
171.04475	1.0
172.05319	20.1
173.05901	2.7
174.03204	5.0
174.06888	0.9
175.04022	1.6
177.31367	0.7
179.05696	1.9
183.04593	3.4
184.05334	1.4
185.06012	0.9
186.06836	2.7
187.04048	2.6
187.07651	88.2
188.08032	4.7
189.05574	1.5
197.06104	1.1
198.06853	1.8
199.04080	6.4
200.04773	6.2
200.39531	0.7
201.05563	2.8
202.06371	2.1
211.04005	1.2
211.07617	1.8
213.09221	15.6
214.06313	1.7
215.07130	28.7
216.07567	1.8
227.03543	8.7
228.04295	5.5
229.08659	6.0
231.06667	9.1
231.10251	14.4
232.10555	1.5
239.07291	1.0
257.08206	100.0
258.08508	7.0
266.50323	0.7
266.83176	0.8
273.07700	5.2
275.09265	5.8
299.09207	0.8
317.10422	1.6
333.09683	1.0
340.07990	3.4
349.17776	1.0
393.11893	8.1
437.14459	5.4
437.19427	1.0
438.17279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03432	0.6
57.93976	0.2
59.01384	8.4
69.03452	0.6
69.16780	1.5
71.01389	3.2
71.05003	1.1
73.02587	0.3
73.02955	5.7
79.05563	0.3
81.03464	7.2
83.01372	1.1
84.02149	0.9
85.02953	1.0
87.00891	1.8
88.57018	0.3
89.02458	0.5
95.05040	2.0
97.02940	0.9
98.03743	26.1
98.21883	0.6
99.00900	0.4
99.04536	13.3
101.02450	2.5
107.05040	4.0
110.03724	0.3
113.02426	1.1
120.05790	1.1
125.06044	0.3
133.06606	5.9
135.04535	1.0
135.08173	11.1
136.08452	0.5
145.06618	0.5
147.04475	0.3
161.02505	0.5
161.04710	0.3
161.06093	5.3
163.07605	0.4
177.05560	0.4
179.03450	0.5
187.11290	1.9
189.12865	11.3
190.13228	0.7
197.09763	0.7
205.12378	0.7
213.09337	0.4
215.10768	3.8
218.09387	0.4
231.10487	0.4
232.11037	0.5
233.11845	100.0
234.12187	7.3
235.13321	0.3
356.29102	0.3
358.65121	0.3
377.16080	4.1
378.16678	0.4
395.17093	8.8
396.17554	0.8
422.64218	0.7
423.13934	0.3
437.18256	12.8
438.18497	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	437.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68985	0.5
57.03422	0.5
59.01386	9.4
69.03467	0.6
69.20392	2.5
71.01385	3.3
71.05015	1.3
72.95989	0.4
73.02955	6.0
76.33028	0.4
81.03460	7.0
83.01388	1.0
85.02952	1.1
87.00888	1.5
95.05011	2.3
97.02966	0.6
98.03741	26.1
99.03951	0.7
99.04540	13.0
101.02449	2.3
102.44068	0.4
107.05039	3.7
113.02406	1.2
119.74529	0.4
120.05821	0.6
133.06613	4.7
135.04544	0.8
135.08177	12.8
136.08464	0.8
147.08165	0.5
159.37878	0.4
161.06079	5.7
163.07597	0.3
179.03604	0.5
187.11282	2.3
189.12881	8.8
190.13179	0.8
197.09779	0.5
215.10788	3.7
227.34331	0.4
231.10213	0.5
233.11839	100.0
234.12209	7.9
235.13332	0.5
377.16034	4.5
395.17126	9.1
396.17377	1.3
422.64258	0.9
437.18176	12.0
438.18661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	2.2
57.03450	0.6
59.01385	5.0
65.68549	0.4
67.00160	0.3
67.22955	0.3
68.25287	0.4
69.03451	0.5
71.01431	2.4
73.02951	1.2
85.02966	1.6
87.00864	0.5
89.02460	0.5
93.03476	0.6
95.05052	0.5
101.02459	0.9
107.05047	0.4
111.08174	8.3
113.02477	0.8
121.03005	2.1
121.06597	1.4
122.03752	69.4
123.04071	1.2
123.04526	1.7
133.06635	2.4
134.03754	5.2
135.04539	2.3
136.05362	2.7
147.04520	0.4
148.05307	1.4
149.06094	36.3
150.06883	3.4
151.07664	4.1
161.02457	1.0
161.04556	0.4
162.03270	3.2
162.06868	3.3
163.07668	0.5
165.05656	0.5
173.09715	1.2
175.04045	0.5
177.05588	29.3
178.05928	1.8
179.03491	0.5
187.11304	0.5
189.12907	0.5
190.06303	0.7
199.07672	0.5
200.08432	1.5
203.07147	4.4
213.09259	0.6
215.10873	2.0
217.08734	2.5
218.09503	17.0
219.09903	1.8
231.10242	1.4
232.11063	11.8
233.11836	100.0
234.12180	7.1
247.09789	0.5
259.13513	0.7
274.60995	0.4
275.09232	0.9
305.16315	0.4
377.15900	1.2
437.17932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20208	0.5
53.58092	0.6
55.01879	5.0
57.03454	4.6
58.00602	0.7
59.01383	67.0
60.01723	1.0
68.72176	0.6
69.03452	2.6
71.01386	100.0
71.05016	0.6
71.39719	0.7
72.01729	1.6
72.99323	1.9
73.02952	38.3
74.03288	0.7
74.86830	0.6
75.00890	1.5
81.03465	2.5
83.01394	13.9
85.02957	39.9
86.00086	9.0
86.03283	0.7
87.00886	22.5
87.04516	3.7
89.02456	30.1
95.01406	6.4
97.02953	3.9
98.03745	2.0
99.00888	11.1
99.04550	2.1
101.02449	63.6
102.02784	1.3
107.05052	0.8
111.00912	2.3
113.02458	35.3
114.02735	0.9
115.04019	1.2
119.03508	4.3
125.02453	7.7
129.01942	3.4
131.03516	7.7
135.08138	1.6
143.03516	5.8
143.10809	3.3
149.04576	7.7
149.05780	0.9
159.03006	8.7
161.04572	56.7
162.04973	2.1
166.72517	0.7
179.05710	0.7
187.11249	1.4
189.12846	1.3
191.05656	2.1
205.03490	0.7
215.10944	1.4
215.12885	32.0
216.13260	1.9
230.43193	0.8
231.10056	0.9
233.06728	3.1
233.11842	18.7
234.12184	1.1
261.88135	0.7
287.15070	0.8
293.08804	1.4
305.16077	64.4
306.16354	5.2
377.15866	0.7
395.17096	0.7
437.20383	11.4
438.20551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.7
57.03453	8.2
59.01384	54.2
69.03468	1.7
69.65712	3.4
71.01387	100.0
71.05022	4.3
72.99354	1.6
73.02952	34.8
74.72092	0.7
75.00883	2.2
83.01389	14.6
85.02959	46.2
86.03297	1.3
87.00890	4.1
89.02454	23.9
95.01409	6.2
97.02975	4.6
98.22632	1.3
99.00892	11.9
101.02451	63.4
102.02821	1.2
103.00341	0.9
111.00892	1.6
113.02455	42.0
113.32883	0.7
115.00377	1.8
119.03519	4.8
125.02444	6.0
129.01950	2.6
131.03522	4.0
133.01459	0.9
143.03484	5.0
143.10786	6.4
144.11223	0.8
149.04602	2.2
159.03014	8.8
159.10301	0.8
161.04568	55.3
162.04922	1.9
175.04039	1.6
179.05682	1.2
189.06601	0.7
191.02077	0.9
191.05705	0.8
201.11447	1.0
202.59843	0.7
227.13046	1.8
233.06676	2.4
253.61017	0.8
269.62460	0.9
293.09079	1.3
305.16080	90.7
306.16486	7.1
321.15579	14.7
322.15775	1.5
355.33795	0.8
437.20346	15.9
438.20853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.0
61.98817	2.4
69.52303	4.5
69.52682	3.6
70.81414	1.8
71.01385	5.7
71.05033	1.7
71.53226	1.7
73.02950	2.9
85.02971	8.3
87.00916	2.8
89.04978	1.7
93.03492	2.2
94.37107	1.9
95.04992	2.0
97.02984	3.2
99.04552	2.2
101.02444	3.7
105.03487	5.5
121.02905	2.2
132.02184	49.2
133.02971	37.2
134.03761	26.1
135.04573	9.2
137.02429	8.8
139.04012	2.8
142.29742	1.8
147.04683	1.8
160.01672	100.0
161.02469	18.1
162.03207	6.5
177.01952	14.5
177.05627	2.1
178.02692	23.1
179.03519	11.0
186.43222	1.9
187.07697	2.8
189.05687	2.1
213.09245	2.4
220.03679	2.2
231.10268	6.0
233.11819	3.0
238.05695	1.7
245.11989	2.2
247.13425	12.9
257.08148	5.8
259.13589	3.8
260.06906	2.1
261.14969	8.7
275.09247	16.5
315.15817	2.2
327.16071	10.3
330.14981	1.9
340.08014	95.7
341.08359	7.3
345.17081	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	437.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16113	7.0
56.89106	7.3
59.01384	32.7
65.03988	11.3
69.03461	14.6
69.64974	26.4
82.98196	7.2
83.05025	9.0
97.00278	7.2
97.06606	15.5
109.06626	14.8
121.06635	8.9
125.09702	48.8
154.62411	8.2
163.11328	19.4
171.10292	100.0
187.14928	19.3
203.14470	23.8
207.10439	8.6
209.11792	19.8
211.13454	16.0
219.14040	8.9
225.11220	11.1
229.14484	15.2
231.13872	54.2
237.14973	17.1
247.13376	18.4
249.15025	25.3
309.33423	7.9
321.88467	9.0
326.49564	7.9
329.24850	13.7
352.04932	8.0
373.23990	21.4
383.22052	15.4
388.56644	7.6
391.25104	14.8
392.25467	8.9
401.23221	59.9
418.79803	8.3
419.24377	11.8
437.25256	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	437.2549
Annotation	ent-13S-Hydroxy-14R,15-diacetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
50.59328	2.6
59.01387	100.0
61.98814	2.4
83.27739	2.5
92.49090	2.3
119.84444	2.6
167.30190	2.6
363.25177	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	437.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14308	3.6
69.14714	6.6
78.95903	18.7
100.25198	1.4
110.98553	8.7
115.92056	1.8
128.89421	1.5
137.14932	1.7
148.77563	1.7
167.01193	10.9
171.12981	1.4
185.02136	2.5
186.68544	1.5
269.24884	100.0
270.25201	7.2
271.31610	1.6
284.46704	1.7
310.23938	1.6
313.11856	1.7
437.26694	15.6
438.26917	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	437.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62518	2.4
57.36594	2.4
70.14292	6.9
78.95911	10.3
90.88741	3.2
98.22527	3.7
110.98540	8.9
121.52026	2.2
167.01129	9.1
172.17215	2.8
248.08926	2.5
255.23314	7.8
269.24884	100.0
270.25204	9.3
437.26651	13.8
460.74454	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	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03907	0.4
59.01377	0.4
61.98835	100.0
71.01388	0.5
71.67429	0.3
72.99331	0.7
75.00900	0.4
77.72650	0.3
78.95911	1.2
96.96035	1.0
96.97004	1.7
118.44573	0.4
125.00940	0.9
126.01141	0.6
134.84712	0.4
142.92010	0.3
147.69690	0.4
156.98196	0.4
167.02014	0.6
176.63153	0.4
179.01465	0.4
189.68108	0.4
215.86029	0.4
251.55537	0.3
268.66183	0.3
270.12537	0.5
272.54022	0.4
296.99432	0.4
378.03842	0.7
444.07141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97085	0.9
59.01383	21.7
60.61890	1.3
61.98832	100.0
71.01393	1.3
73.75722	1.2
80.61105	0.8
83.05042	1.7
85.02969	1.7
101.02438	2.0
103.23961	1.2
127.04020	1.3
160.01620	1.6
178.38165	1.0
253.99947	1.0
289.16492	3.0
299.29333	1.2
340.07559	1.1
341.08124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01365	2.9
54.58618	3.3
59.01364	15.5
69.09754	25.0
71.01344	4.7
72.99258	3.5
75.00847	5.0
83.05017	16.9
85.02927	3.8
93.03476	6.4
98.22612	8.5
101.02455	3.7
111.04533	100.0
116.06470	3.3
130.66162	3.5
133.02956	6.7
161.02345	9.6
226.61182	4.1
233.11906	5.9
247.13351	8.1
249.15009	4.8
251.12894	44.4
261.14899	4.0
319.15247	4.2
345.17215	24.3
346.17212	4.4
363.18097	8.7
412.84006	3.5
438.20630	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	439.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
60.45749	0.6
61.77317	0.7
62.65618	0.8
66.97110	0.6
68.69480	0.6
69.90222	2.6
71.01390	1.0
78.95896	1.0
79.95738	2.3
96.96021	100.0
98.22590	0.9
98.95654	1.0
103.39572	0.7
108.42657	0.8
113.84190	0.8
133.02974	5.0
135.04581	1.9
161.02454	23.4
162.02808	0.9
179.03499	4.8
191.00287	2.5
205.98959	1.6
216.98164	1.3
230.99715	0.8
233.01350	1.2
234.99449	1.0
258.99344	1.6
273.46964	0.6
277.00314	10.9
319.01352	1.3
341.08801	10.6
342.09262	0.9
360.80832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06639	0.8
78.95911	47.1
96.96970	100.0
101.02464	0.7
158.24561	0.8
341.11008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38522	0.4
57.06471	0.4
59.01387	12.0
71.01390	8.6
72.99310	0.9
73.02960	0.5
78.95911	46.4
83.01370	0.5
83.90114	0.4
85.02964	1.6
86.84187	0.4
87.00890	0.8
88.79152	0.5
89.02456	9.4
96.96061	11.7
96.96971	100.0
99.00875	1.3
101.02439	4.0
111.00863	0.8
112.98846	1.1
113.02467	3.3
115.00440	0.4
119.03522	2.9
129.03679	0.4
142.99849	0.9
143.03516	0.5
145.01428	1.1
161.02458	1.6
161.04584	1.7
179.03465	0.6
179.05627	5.0
201.02132	0.4
217.00398	0.7
259.32239	0.5
263.05759	0.8
341.10956	13.7
342.11191	1.0
439.08597	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	439.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84687	14.3
59.01381	37.9
59.81141	15.2
60.21308	14.3
62.40646	13.1
69.37814	69.8
70.49326	15.9
71.01379	22.3
83.05032	23.4
99.00902	100.0
101.02380	18.3
115.59987	14.8
139.04012	57.4
149.06120	34.9
159.03044	22.3
165.05568	28.2
168.16934	14.1
177.05585	77.6
183.06631	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
58.02990	10.2
59.01388	18.4
66.85792	1.2
67.05532	1.3
67.51759	1.4
69.19880	8.6
70.02985	1.4
71.01380	7.3
72.00915	1.7
72.99374	1.3
73.02947	5.3
74.02480	26.8
82.03001	4.0
82.61686	1.2
83.01405	6.2
84.00928	1.4
85.02962	14.3
85.04083	1.9
86.06113	2.2
87.05656	14.9
89.02439	4.0
90.00237	1.4
93.03488	1.9
96.04557	12.6
96.96067	2.0
97.03008	3.0
97.04083	11.6
98.02492	6.5
98.21754	2.0
99.04560	2.0
99.05659	16.8
100.00436	2.5
101.02449	7.7
101.26192	1.4
107.05040	4.4
108.04575	10.8
110.02476	2.4
111.03323	1.9
112.04064	15.5
112.07708	10.7
113.02464	3.6
113.03590	10.0
118.98101	1.6
119.05077	1.6
122.06149	3.4
124.04082	8.0
125.03526	2.0
125.04844	4.7
125.62043	1.5
126.04383	2.4
126.05614	6.2
127.05146	16.8
131.04840	1.5
133.02963	1.7
133.06607	64.3
134.06969	2.2
135.04475	2.4
135.08197	5.1
137.07234	6.0
138.05598	1.9
140.07175	18.1
142.52208	1.4
143.04668	5.2
147.02953	2.1
149.06129	2.0
150.04352	1.7
152.03557	6.6
155.08284	28.3
160.00735	1.8
161.04645	2.2
163.04045	4.6
165.06705	24.0
166.05138	2.4
169.06194	2.7
171.07840	1.8
177.03375	2.7
177.05582	56.4
178.05920	2.0
179.03632	1.8
180.06685	23.7
181.06346	1.5
183.07765	44.8
184.08075	2.1
186.02333	3.1
191.02005	1.9
203.07191	2.6
205.12318	9.7
209.05550	2.5
211.04350	9.7
215.06784	4.1
215.10709	3.2
217.08694	1.4
218.11847	1.5
225.05211	2.6
227.06752	95.7
228.07149	3.9
233.11867	9.9
235.09799	1.4
261.05515	100.0
262.05814	4.5
307.17560	4.6
360.14670	15.7
407.98691	1.7
422.90030	1.5
439.11493	10.3
440.09875	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	439.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60687	0.3
59.01384	1.0
64.43687	0.3
69.18150	2.4
71.01383	1.1
72.34396	0.3
72.99313	1.5
75.00879	100.0
76.01221	1.3
78.95935	0.8
96.96007	0.8
96.96975	1.4
99.00878	0.6
125.27818	0.3
130.21625	0.4
153.18932	0.4
172.24739	0.4
183.06473	0.4
240.63875	0.4
363.13120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29369	0.3
55.01876	0.5
57.03440	1.1
59.01380	3.2
61.14675	0.3
65.26183	0.3
69.14166	2.3
69.14482	0.5
71.01382	3.6
73.02940	0.9
78.90839	0.3
85.02959	6.6
86.03294	0.6
87.00889	1.0
89.02442	1.2
95.05067	0.7
96.95999	0.5
97.02932	0.4
99.00897	0.4
101.02443	1.8
107.05049	0.6
111.00844	0.4
113.02461	0.8
120.99675	0.4
121.06598	4.6
127.04008	0.6
129.01967	0.6
131.05045	1.2
131.80402	0.3
133.02931	1.1
133.06606	13.0
134.06943	0.6
135.04532	0.4
137.06122	0.4
145.83186	0.4
146.08235	0.6
147.02995	1.0
147.04538	0.6
147.08182	7.0
149.06068	1.3
157.06619	1.6
159.04601	0.5
160.05222	0.5
161.02451	3.4
161.04565	0.8
162.04890	0.4
163.00522	0.3
175.07652	100.0
176.08000	5.5
177.05577	2.3
178.06392	0.7
179.03467	0.4
185.06013	0.7
187.11255	0.5
191.01999	1.4
199.71730	0.3
203.07144	0.8
205.12312	2.7
215.10782	4.4
216.11191	0.6
233.11842	38.9
234.12216	3.4
306.16553	0.5
307.16452	0.7
381.11496	0.4
439.15887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03446	6.0
59.01382	75.1
69.03444	4.1
71.01386	100.0
72.99320	2.9
73.02953	26.9
81.03465	2.2
82.95432	3.5
83.01392	13.4
84.95123	36.0
85.02953	44.6
85.03468	2.3
86.00103	4.6
87.00880	20.4
87.04537	1.9
89.02454	54.6
95.01393	8.5
97.02957	7.7
99.00893	9.3
101.02449	82.9
111.00920	4.0
113.02460	45.5
113.03256	2.2
115.07638	2.2
119.03521	19.2
125.02437	11.0
129.01949	2.9
131.03494	4.5
137.56595	1.9
141.01973	2.0
143.03511	10.8
149.04555	6.8
149.06134	1.8
159.03001	7.5
161.04573	49.9
177.05588	8.0
179.05602	10.5
187.09766	18.8
188.10101	1.7
191.05627	11.3
192.05984	3.5
221.06696	4.0
245.06682	3.5
263.07727	4.1
272.73392	1.5
277.12976	49.0
278.13284	2.3
323.09717	2.9
376.07281	2.4
397.17081	2.3
439.18198	34.9
440.18411	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	439.1978
Annotation	Garajonone
Peak:m/z	Relative Intensity
51.84406	1.4
52.96666	1.7
55.01880	1.9
56.68533	1.7
59.01385	45.6
61.98828	5.7
65.03957	7.3
69.03463	5.8
71.01381	14.2
71.05024	3.7
73.02932	4.3
81.03478	10.2
83.01390	2.6
83.05033	100.0
84.05358	2.0
85.02962	2.6
95.05034	5.7
96.95992	1.5
97.06594	3.2
99.00896	2.3
99.04469	3.6
109.02975	3.2
109.06600	2.6
110.03716	3.7
113.02416	2.5
113.64010	1.7
114.89770	2.1
115.00359	2.5
123.08094	1.5
127.04031	44.8
127.04987	2.5
128.04314	1.7
135.04546	2.5
135.08170	2.7
137.06087	3.3
137.09772	1.8
139.07681	10.7
139.11276	2.0
149.09717	7.1
151.11299	29.0
153.09282	1.5
171.10263	8.6
177.12895	2.5
179.10791	26.5
183.06625	2.1
191.14455	10.7
193.08720	3.2
195.10335	8.5
195.11983	1.4
201.12801	3.3
207.13898	8.9
217.16011	5.3
223.13382	5.0
225.14954	4.3
245.15459	19.7
246.15819	2.1
249.14929	2.7
251.12868	18.4
263.12979	4.3
263.16516	4.4
265.14444	2.0
269.13940	3.0
273.18600	5.5
284.14252	1.8
289.14456	4.1
291.19406	2.6
299.16541	7.1
305.17551	3.0
307.15405	3.2
311.14975	7.8
317.17542	7.7
335.15033	2.5
335.18402	7.6
361.16559	2.6
379.17612	42.3
380.18054	5.4
421.18781	4.9
439.19589	35.8
440.20013	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	439.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01298	0.8
57.47781	0.9
59.01385	100.0
59.58054	0.9
71.01395	4.4
71.05035	2.3
73.02953	22.3
75.00912	0.9
76.81285	1.1
83.05024	2.0
85.02972	3.3
85.27802	0.9
97.06581	2.0
101.02438	2.9
113.56493	0.9
115.04051	1.7
123.08176	1.8
129.87201	1.1
137.09738	1.6
139.07683	1.2
149.06087	1.2
151.07614	1.0
161.02460	2.9
162.65475	0.9
165.09203	2.2
179.03523	1.2
193.08858	1.3
202.09874	1.2
204.07890	2.2
207.13875	1.7
215.10806	2.7
216.11386	1.2
219.10304	9.3
220.10933	2.4
221.11801	1.1
231.10374	1.9
231.13892	24.6
232.14220	2.1
233.11848	3.4
233.15549	1.2
234.12540	7.5
235.13409	1.7
237.11382	1.8
243.13875	1.2
244.39799	1.0
246.12569	2.2
249.14964	43.0
250.15346	3.0
251.12984	1.1
261.14987	20.1
261.17554	1.9
262.15195	1.8
279.16022	1.5
290.11636	2.5
291.15997	7.3
299.16599	2.3
305.13940	2.7
306.14456	0.9
317.17535	6.5
323.15100	6.7
335.18658	4.0
439.19162	3.1
440.14798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1977
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.01861	1.6
57.03460	1.0
59.01386	100.0
60.01712	0.8
63.77978	0.7
69.03468	1.0
69.64630	1.7
71.01385	24.3
72.01707	1.0
72.63139	0.8
72.99329	1.4
73.02954	46.2
75.71247	0.8
83.01398	9.3
85.02950	6.9
87.00895	1.8
89.02446	10.6
97.02969	1.2
98.72381	1.0
101.02454	28.9
107.05058	1.1
113.02461	9.8
119.03480	4.4
123.08170	0.9
125.02458	1.5
131.03493	1.7
135.08162	6.4
143.03581	0.9
161.04568	2.7
161.06082	4.1
217.12360	18.7
218.12738	1.0
235.13387	5.3
379.17682	17.0
380.17905	2.1
397.18680	44.7
398.19162	3.7
439.19742	34.3
440.19962	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	439.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81384	0.7
52.06222	0.5
55.01913	0.5
57.03465	2.8
59.01384	10.4
69.74343	0.6
71.01382	2.3
71.05026	2.3
71.39439	0.6
73.02939	1.1
78.95921	0.6
83.01391	1.3
84.02155	0.6
85.02960	19.0
87.00861	0.6
89.02448	0.8
92.51516	0.5
95.05009	0.6
96.95990	0.6
101.02458	1.3
101.06087	0.6
111.00850	0.5
113.02427	1.2
113.09744	5.2
115.00320	0.5
121.02972	2.5
121.06596	1.0
122.03754	65.4
123.04094	2.3
123.05674	0.9
129.01955	1.9
133.02908	0.7
133.06587	2.3
133.28152	0.6
134.03745	4.8
135.04539	5.3
136.05301	2.0
147.03023	2.8
148.05319	1.0
149.06096	34.7
150.06879	3.1
151.07655	2.6
152.80952	0.5
161.02417	1.4
161.06030	0.8
162.03296	0.6
164.04832	0.6
165.05571	1.3
167.04703	0.6
173.00861	0.6
177.05556	0.8
178.00966	0.6
189.12520	0.5
189.73637	0.5
191.01990	4.9
193.03305	1.3
204.07980	0.7
209.03044	0.8
217.12276	1.0
219.10255	6.4
220.11017	4.9
221.11644	0.9
230.68170	0.5
233.11774	1.0
234.12639	34.2
235.13409	100.0
236.13745	8.3
249.11375	1.6
249.43886	0.5
256.21591	0.6
379.17288	0.9
397.18607	0.6
439.20023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18732	0.7
54.67667	0.7
59.01385	100.0
63.53370	0.7
69.37916	1.8
69.38297	1.4
71.01379	8.2
72.43755	0.8
73.02959	2.3
83.01420	0.7
83.36176	0.7
85.02954	4.7
87.00893	2.9
89.02456	1.8
98.22672	1.3
99.00954	1.6
101.02488	3.2
113.02448	3.8
116.92896	1.5
119.03516	1.0
125.11189	0.7
148.01709	1.8
153.46001	0.8
161.04597	1.1
175.99728	0.7
176.01190	1.9
178.68018	0.8
192.00713	1.0
217.01505	2.1
237.15323	1.1
252.20755	0.8
307.06152	0.9
308.06879	1.9
397.22388	5.0
439.11740	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	439.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08282	0.8
55.01885	1.0
59.01384	100.0
60.01690	1.0
70.89632	1.1
71.01391	10.1
73.02956	9.8
83.01414	1.5
85.02945	3.2
89.02457	7.3
94.65601	0.9
95.01428	1.0
101.02465	8.0
113.02441	5.1
119.03478	3.2
135.08170	1.1
160.01103	1.0
177.09303	1.5
235.13446	7.9
270.36203	1.0
397.18484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	1.0
61.98840	2.2
71.01388	4.0
72.99333	0.5
73.02969	2.3
83.01434	0.6
83.05033	3.2
85.02959	1.5
89.02454	1.8
95.01411	0.5
95.07840	0.4
99.00889	0.5
101.02439	2.9
113.01731	0.4
113.02430	2.5
119.03513	1.0
127.04052	1.8
131.03516	0.5
133.03012	0.5
134.03757	0.4
159.13231	0.4
160.01776	0.5
161.02483	0.5
161.04642	0.8
202.64841	0.4
211.13470	1.8
217.15852	0.5
249.02002	0.5
261.14859	0.4
281.23022	0.4
294.20740	0.4
412.32132	0.5
464.84909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46949	0.3
55.01885	1.1
57.03452	1.2
58.00595	0.3
59.01383	100.0
60.01719	1.3
69.14294	1.6
71.01389	15.1
72.01730	0.5
73.02954	5.7
75.00889	0.3
83.01397	2.6
85.02958	8.4
87.00893	0.9
89.02456	1.8
95.01391	1.3
97.02988	0.3
99.00869	2.0
101.02453	10.8
103.23405	0.3
113.02461	6.1
119.03526	0.3
125.02490	0.4
143.03534	0.8
159.03062	1.2
161.04576	9.1
175.11201	0.3
201.12938	0.9
219.13983	0.5
235.17064	2.2
379.21509	0.7
389.15643	0.3
397.22311	16.8
398.22589	1.8
439.23474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98840	14.6
69.21060	5.6
71.01387	11.5
73.02951	12.6
83.01391	2.6
85.02965	5.2
89.02462	5.5
95.01360	1.1
98.21856	2.0
101.02459	8.0
113.02477	6.1
119.03487	3.0
137.87900	1.1
178.42307	1.0
185.70512	0.9
227.10951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32535	1.2
59.01385	100.0
67.22343	1.3
67.50263	1.3
69.11512	8.1
69.65696	1.4
71.01390	11.4
73.02957	23.8
81.32216	1.2
83.01380	4.7
84.43857	1.5
85.02953	2.4
89.02434	4.2
101.02451	15.1
104.35155	1.3
113.02468	7.2
161.04593	1.7
215.92188	1.3
219.29443	1.3
240.97081	1.3
280.97653	1.7
457.82666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
67.88448	0.3
69.35880	1.5
71.01393	2.2
73.02959	0.6
75.00893	0.4
83.05061	0.3
85.02946	0.4
91.06621	0.3
95.01382	0.4
101.02439	0.6
113.02464	1.1
134.12175	0.3
140.50420	0.3
148.40378	0.3
151.95166	0.3
236.91942	0.3
275.20099	0.4
277.21738	100.0
278.22086	9.3
291.23337	0.9
291.79120	0.3
319.22675	0.4
331.22714	1.0
431.68030	0.4
460.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.75930	1.2
61.98827	12.5
69.03485	2.6
71.01383	6.3
78.36038	1.4
81.03455	2.8
83.04518	2.9
83.05027	60.0
85.02944	3.3
95.05056	1.7
98.58172	1.6
101.56112	1.3
109.06628	2.4
125.02399	1.6
125.09755	2.7
127.03152	2.7
127.04025	29.7
133.02744	1.3
135.04520	3.5
135.08223	2.2
139.17139	1.6
149.09729	3.8
151.11307	9.4
177.12775	1.6
195.10251	3.4
223.13362	2.4
245.15466	2.4
251.12856	5.7
263.16574	2.5
265.14368	2.1
267.15903	2.1
284.14157	3.0
293.14014	2.7
299.16534	9.3
305.17502	2.7
317.17532	4.1
323.15109	2.0
323.18549	1.7
335.18964	1.7
361.16513	1.9
379.17499	6.1
421.18506	5.5
439.19904	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	439.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86021	1.2
59.01384	100.0
61.98833	2.8
64.14208	1.1
69.29763	6.4
71.01390	2.9
83.05042	3.7
85.02939	1.2
96.57557	1.1
98.21899	2.5
127.04046	1.8
215.16469	1.4
276.17154	1.3
305.17584	1.3
353.21304	1.5
464.93616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19530	0.4
52.51219	0.3
59.01384	2.3
61.98836	100.0
64.29497	0.4
69.22049	2.0
71.01394	2.1
73.02975	0.4
85.02985	0.7
87.04543	0.8
89.02460	2.1
101.02458	1.1
109.81700	0.4
113.02494	0.5
119.64862	0.4
131.03578	0.5
135.04546	0.7
149.04626	0.8
293.09021	1.4
318.86343	0.4
327.09500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
59.01386	66.9
60.01716	3.6
61.98837	100.0
69.72029	4.2
71.01397	7.5
73.02972	7.1
74.63862	1.2
83.01411	1.4
85.02950	5.9
89.02419	2.6
101.02457	7.3
113.02483	2.5
118.98084	2.9
129.02049	1.3
135.27859	1.3
141.80405	1.3
152.13223	1.2
157.24748	1.1
177.63396	1.2
191.02002	1.4
291.18259	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	440.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
59.01386	66.9
60.01716	3.6
61.98837	100.0
69.72029	4.2
71.01397	7.5
73.02972	7.1
74.63862	1.2
83.01411	1.4
85.02950	5.9
89.02419	2.6
101.02457	7.3
113.02483	2.5
118.98084	2.9
129.02049	1.3
135.27859	1.3
141.80405	1.3
152.13223	1.2
157.24748	1.1
177.63396	1.2
191.02002	1.4
291.18259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72550	0.7
57.03426	1.1
59.01387	39.6
71.01386	20.8
71.40460	1.1
72.99334	0.8
80.91690	6.5
83.01399	1.3
85.02965	4.3
89.02456	16.5
95.01394	1.7
96.96014	1.2
98.95607	1.0
101.02454	10.7
109.03017	0.7
109.22381	0.7
113.02478	6.4
116.92845	0.8
119.03526	5.6
119.05025	4.0
121.02979	5.4
123.00871	1.8
135.04549	1.6
137.02458	3.4
138.03241	2.5
139.00388	1.4
139.04028	1.0
153.05586	5.3
155.03560	0.8
160.01680	0.7
163.04042	4.4
166.99898	1.4
169.33760	0.7
180.04179	1.0
181.01454	2.9
181.50804	0.6
182.02219	5.7
183.02899	1.2
195.06630	1.3
196.03783	3.5
197.04565	29.4
198.04889	1.2
211.06151	5.2
224.03296	2.8
239.05606	17.1
269.06778	1.1
299.07742	2.7
314.78131	0.8
344.07434	1.6
359.09863	100.0
360.10257	6.6
398.55798	0.8
441.00070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1173
Annotation	Rhinacanthin E
Peak:m/z	Relative Intensity
59.01380	62.1
68.37401	10.9
69.65849	42.1
71.01369	17.4
74.48026	10.8
85.02977	20.7
89.02438	36.8
101.02455	19.0
113.02431	17.3
141.12735	10.9
157.55637	11.2
165.05565	47.0
177.05582	15.3
179.05666	20.1
183.06689	15.0
253.41351	11.5
345.11609	25.9
359.06195	11.8
381.09256	17.8
408.25714	11.2
422.55182	12.5
441.11569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.0
57.03459	10.1
59.01381	99.5
61.98816	9.2
71.01385	38.5
71.87959	4.5
72.99303	4.4
73.02959	44.2
83.01389	17.0
83.05006	9.3
83.51722	4.4
85.02951	64.2
87.00864	12.4
89.02464	14.4
95.01402	5.2
96.96024	16.0
99.00886	55.0
99.04504	8.2
101.02444	52.4
111.00877	19.9
113.02457	36.6
119.03442	5.6
121.06588	8.8
121.43420	4.4
122.03799	5.0
123.04566	5.5
126.05621	6.0
128.59763	4.0
129.01920	19.0
131.03481	14.9
133.02933	10.3
135.04517	32.6
135.08163	26.3
141.01962	5.9
147.03004	7.0
149.06076	19.8
150.03214	5.5
150.06871	3.9
151.07643	7.8
157.47046	4.0
159.03001	100.0
160.01630	4.3
161.02464	11.2
161.04562	7.4
161.06078	5.7
167.07123	16.7
177.05568	13.0
179.03497	28.7
179.07109	18.2
181.31351	3.6
183.06633	4.7
191.02095	9.2
193.28731	4.0
204.03343	9.0
217.47246	3.9
231.10219	5.5
235.11763	27.8
249.13423	33.5
251.12782	5.7
261.11218	6.2
270.07828	5.0
278.11728	4.9
279.12366	19.0
313.85681	4.2
339.03790	4.8
381.17667	47.9
406.55032	4.3
423.10950	5.9
441.11902	13.1
441.17715	22.2
450.95944	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	441.1173
Annotation	Flaccidine
Peak:m/z	Relative Intensity
59.01381	72.4
61.98838	100.0
62.02520	23.7
64.34670	18.8
69.73561	41.7
74.12307	19.0
78.91850	24.8
87.18835	19.5
92.21438	23.5
92.57507	21.7
111.03786	21.8
112.97239	19.9
120.27982	22.4
127.77509	22.7
229.09775	21.9
239.05731	27.6
247.18007	22.4
282.90009	24.0
327.69543	20.1
441.11673	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	3.8
59.01389	44.0
61.98837	100.0
63.99271	3.7
70.59670	2.6
71.01389	33.1
73.02962	5.2
83.01398	3.1
85.02976	6.7
87.04530	15.8
89.02450	47.3
97.02959	4.2
99.00941	3.2
101.02444	12.1
122.00298	3.0
125.02470	14.8
131.03517	7.3
135.04573	4.2
139.63840	2.5
140.04720	3.0
149.04535	13.5
173.13182	2.5
191.05605	5.7
293.08817	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26778	1.0
59.01385	29.9
61.98837	34.3
71.01382	5.0
73.03006	1.0
83.01398	1.3
85.02979	1.6
89.02472	1.3
95.01400	1.8
97.02986	1.6
101.02435	1.2
113.02485	1.1
123.08241	1.1
125.02506	1.4
127.29930	0.8
135.04576	2.0
136.67424	0.8
148.05415	1.9
149.06172	1.4
150.06882	13.0
164.08437	18.6
164.09709	1.1
179.07195	1.0
180.07939	14.4
191.10791	10.2
197.04782	1.1
203.10806	16.9
204.11305	1.0
205.12421	3.9
206.09625	2.5
206.13138	29.9
207.13873	8.8
209.11937	1.2
219.14079	1.9
236.14200	100.0
237.14940	38.8
238.15471	2.2
244.66199	1.0
249.15149	1.3
268.14700	1.1
271.13525	2.5
283.17084	1.4
286.16025	0.9
301.18253	4.2
325.20078	6.1
327.16187	1.5
343.15860	1.0
345.17215	2.1
370.57895	0.9
381.14948	1.5
381.19598	1.3
441.21655	50.6
442.22144	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.00580	1.1
59.01388	7.6
59.98534	4.5
61.98846	0.7
69.10409	3.9
71.01384	10.0
71.05027	3.4
72.02182	1.6
73.02946	9.6
78.95933	0.6
83.01419	0.6
83.04525	1.0
83.05029	18.0
85.02952	9.9
89.02470	0.7
91.93803	0.6
96.95994	0.8
97.02950	1.1
97.06599	1.0
99.04526	3.8
101.02456	2.0
101.06078	3.7
103.49290	0.6
107.05050	9.3
113.02447	1.4
115.04028	2.9
119.03481	0.9
120.05835	1.9
121.06582	0.8
126.03250	0.7
127.04020	16.9
127.07641	2.4
128.04355	0.7
129.01971	1.2
133.06601	12.7
135.04584	0.8
135.08177	17.8
136.08543	0.6
143.03534	1.7
144.04295	50.0
145.05081	39.5
145.06294	1.0
146.05400	1.0
147.04524	1.0
147.08170	6.4
148.08481	0.6
159.08170	1.0
161.02446	1.3
161.06085	20.3
162.06628	1.2
163.07704	0.8
175.07660	7.3
177.09215	6.7
179.03546	0.8
186.06754	0.5
187.07587	2.7
189.12888	1.1
191.01997	2.7
193.07143	0.7
193.08739	8.4
197.09744	2.2
199.11324	2.1
205.08688	3.9
205.12309	0.9
217.12344	53.6
218.12674	4.3
221.08183	3.5
226.09673	0.6
233.11792	1.0
235.13297	1.1
243.10196	1.0
261.11328	65.0
262.11609	4.7
279.12393	100.0
280.12735	8.7
310.46085	0.7
340.61139	0.6
379.42560	0.6
383.13489	1.2
441.17664	65.6
442.12192	1.2
442.17896	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	441.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.5
58.00583	1.8
58.31545	1.5
59.01383	42.2
61.98831	10.1
69.03452	3.1
69.40321	3.1
69.40714	2.8
71.01384	32.6
73.02943	2.3
73.39793	1.5
76.03279	1.2
83.05021	4.0
83.88897	1.3
85.02960	1.7
96.81722	1.3
97.02956	1.5
97.06612	9.0
98.21885	2.4
105.07147	1.9
109.06576	6.4
115.00388	18.1
123.08234	1.5
127.07607	2.9
133.01433	1.6
144.04652	1.3
153.09094	1.9
169.12317	4.5
171.10330	11.8
173.25734	1.5
185.11766	1.9
197.11848	70.7
198.12180	4.8
199.13338	2.6
211.13420	3.8
227.12802	2.1
289.18155	7.2
307.19241	6.9
325.20218	100.0
326.20569	12.2
422.99121	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	441.2499
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01385	100.0
63.05745	1.0
63.41100	1.0
71.01392	8.9
72.99795	1.1
73.02959	4.3
73.03377	1.0
83.08292	1.0
85.02961	4.5
89.02464	2.4
95.01445	1.1
101.02454	3.9
113.02480	2.9
114.53048	1.0
118.98117	1.7
119.47874	1.2
139.36508	0.9
161.04587	3.5
215.54860	0.9
218.19940	1.2
245.47241	1.2
399.23776	6.0
442.76529	1.0
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
52.30809	0.6
59.01383	100.0
59.45861	0.6
60.01732	0.9
61.98833	3.7
65.64345	0.5
70.73837	1.2
71.01388	5.6
73.02950	4.7
82.19823	0.6
83.01411	0.9
83.05040	1.1
83.12176	0.6
85.02963	3.3
89.02479	1.5
100.36328	0.8
101.02470	2.7
107.27440	0.6
108.03309	1.4
113.02470	1.6
113.03580	3.3
119.05086	0.7
121.03385	0.6
127.03973	0.7
151.08765	4.1
191.02020	0.9
204.11392	1.5
209.11714	0.7
325.20142	3.0
393.66312	0.7
397.18906	1.3
399.24127	0.7
441.17276	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	441.2498
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.96823	0.3
53.66909	0.3
59.01383	100.0
60.01714	1.3
61.98829	2.4
65.12140	0.4
65.26484	0.3
69.23042	0.6
69.23447	1.7
71.01389	4.4
73.02965	1.3
83.01375	0.6
83.05022	0.5
85.02975	1.4
87.00895	0.4
89.02477	1.2
89.78475	0.3
94.32938	0.3
98.22660	0.7
101.02444	1.9
113.02465	1.5
115.00386	0.7
119.03527	0.7
125.47202	0.4
127.04079	0.4
161.04604	0.9
176.95494	0.4
237.15056	1.0
307.19528	0.6
325.20236	3.3
326.20303	0.5
399.24072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61548	1.0
57.03448	4.5
58.02969	3.9
59.01388	17.1
65.59753	0.9
69.03458	1.0
71.01378	6.5
72.00901	2.6
72.04528	1.4
73.02960	2.1
74.02477	16.8
78.95909	1.4
79.95747	8.1
80.96512	1.6
83.01398	1.9
83.05034	5.6
85.02952	18.7
87.00889	1.6
87.04516	1.8
87.57179	1.0
89.02451	1.5
93.03461	5.1
95.05054	1.7
96.96078	2.3
101.02445	3.5
106.04258	1.4
107.05055	1.6
113.02443	2.3
119.05049	11.6
123.04539	24.7
129.01927	1.6
133.02992	5.1
134.06154	9.0
135.04532	3.5
137.09743	12.5
144.04469	2.0
147.03154	1.4
149.06071	1.5
154.12393	1.9
155.10684	1.1
161.02472	7.5
162.05626	1.7
163.04015	13.0
178.08626	2.1
179.03474	2.4
180.06676	85.0
181.07021	3.7
181.08609	1.5
191.01993	4.9
194.08669	1.0
194.11906	6.3
212.12944	2.4
214.01849	4.4
216.10535	1.0
222.08551	1.3
233.70013	1.1
238.10872	12.1
256.11890	5.9
266.08249	2.0
274.18115	6.6
280.12674	1.5
300.16177	5.3
318.17072	3.8
344.15265	1.1
362.16113	100.0
363.16428	11.3
384.14090	1.4
401.18219	4.3
442.11807	90.6
442.17157	3.2
442.63702	2.4
443.12222	10.9
443.19186	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	442.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98835	100.0
66.58029	0.8
70.48946	2.2
112.95856	1.1
122.07104	0.9
201.12556	1.0
270.88138	0.9
322.80637	0.9
327.21579	1.1
332.22507	0.9
379.17584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98834	100.0
69.53403	0.4
69.53786	0.4
71.01414	0.2
76.53062	0.2
83.05031	1.4
96.16182	0.2
98.22594	0.4
101.53606	0.2
113.02478	0.3
118.73244	0.2
123.08094	0.2
131.03490	0.2
135.04536	0.3
161.02469	0.3
179.03537	0.3
189.42346	0.2
201.09309	0.4
247.13515	0.4
249.15118	0.4
259.78690	0.2
261.15070	0.5
269.11771	0.2
273.18665	0.3
281.15396	0.3
299.16534	2.3
300.16696	0.3
302.15347	0.5
317.17496	1.2
343.15546	1.7
361.16599	2.6
362.16907	0.4
379.18039	0.3
425.64929	0.4
442.17633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.9
60.99308	14.8
69.19996	8.8
71.01379	4.5
72.32771	1.5
85.02966	4.1
87.00893	2.4
88.98811	100.0
89.02480	1.8
93.03441	2.5
101.02472	2.1
113.02402	2.6
117.35816	1.5
123.04541	2.2
150.00752	1.4
167.81842	1.4
191.05629	73.2
191.39278	1.5
192.05899	3.5
202.92206	1.5
208.90839	1.7
212.08679	1.8
215.07814	1.5
280.95120	3.0
353.08780	8.0
443.19769	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	443.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76531	1.1
57.91624	1.0
58.56425	1.2
59.01376	3.8
59.18002	1.0
61.35353	1.0
69.65823	2.6
69.66138	1.4
70.41484	1.0
71.01391	11.9
72.28592	1.1
73.02940	2.1
80.91693	8.6
81.03446	1.2
83.01383	4.9
85.02956	2.6
89.02444	1.9
97.02970	1.6
98.99427	9.3
99.00885	34.5
99.04488	1.4
101.00948	1.9
101.02455	2.8
107.05011	1.2
113.00962	1.7
113.02459	2.0
125.00980	5.8
126.98878	2.6
135.04521	2.7
139.02527	6.4
140.99432	1.8
141.00465	29.9
141.04121	1.1
142.00504	1.5
151.02425	1.5
153.00478	6.2
155.01999	6.5
163.04027	3.2
165.04066	1.2
167.01949	2.3
168.99973	1.7
171.01500	1.3
175.02449	1.1
177.04088	2.3
179.01961	2.3
180.99986	9.7
181.03532	2.9
181.05029	2.5
183.01503	22.4
184.01678	1.6
193.03528	2.6
195.01494	3.5
201.02478	1.8
205.03584	8.1
207.01535	1.3
217.03673	1.5
221.02956	11.1
227.04048	3.1
243.03552	6.8
245.03061	4.1
251.74232	1.1
263.04102	11.8
264.04269	1.6
281.05396	1.3
283.03067	3.2
283.06717	6.4
383.08398	100.0
384.08481	11.6
443.10516	3.1
457.53168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.5
57.64802	2.0
59.01382	59.6
71.01390	53.2
72.99303	7.9
73.02956	4.6
75.86285	2.3
78.95919	4.8
83.01418	3.0
85.02958	15.3
87.00862	11.3
88.84344	3.3
89.02450	46.9
92.95983	2.9
96.96936	3.5
99.00852	4.1
101.02451	100.0
102.02811	4.3
113.02446	19.8
115.00386	4.0
116.96008	2.7
119.03483	17.5
119.05042	4.2
119.11496	2.2
129.01926	2.6
140.55804	2.4
141.00401	2.8
142.97566	6.6
143.03481	6.6
145.06186	6.2
147.02966	8.6
161.04558	9.6
163.03995	8.4
165.05556	7.3
168.11945	2.2
179.05620	32.7
181.74937	2.2
191.01967	4.8
202.96092	2.9
211.16902	2.4
221.06546	2.3
223.45337	2.4
230.95435	3.4
248.96378	2.8
320.78613	2.4
333.64877	2.5
338.13852	2.5
341.10916	73.4
342.11478	3.2
362.04752	2.6
383.12228	12.5
417.39624	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	443.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01386	100.0
61.27394	1.6
61.98836	27.6
71.01390	32.2
72.99289	1.7
73.02953	38.3
74.93069	1.5
83.01414	9.7
85.02960	19.2
87.00866	1.7
89.02449	31.1
90.04870	1.4
91.49274	1.4
95.01390	2.5
99.04482	3.8
101.02454	33.1
107.05034	9.8
109.02949	2.0
113.02466	14.1
119.00930	1.4
119.03495	9.6
125.02416	1.5
131.03465	2.4
135.04558	1.7
135.08160	3.9
136.35037	1.5
143.03493	3.3
149.04597	2.8
156.02518	1.7
161.02498	1.8
161.04573	7.1
161.06058	4.2
171.10178	2.0
187.11299	13.8
189.05594	2.3
191.01967	4.3
209.09753	2.4
217.12366	3.3
219.13895	3.9
227.10797	24.8
245.11876	22.7
246.12210	2.1
263.12906	11.6
276.84637	1.6
324.42850	1.9
327.21576	8.9
401.21689	3.8
443.22531	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	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08760	0.3
50.26548	0.2
55.01873	0.3
59.01385	5.7
60.96396	0.4
61.98831	3.6
65.00331	1.0
67.01902	0.7
68.99804	0.3
69.18936	1.2
71.01382	2.5
72.99314	0.3
73.02958	0.8
78.01117	1.3
81.03460	2.2
82.00608	0.7
82.95426	0.7
83.01395	0.6
85.02958	1.3
89.00340	1.3
89.02439	1.9
91.01898	1.1
93.03464	1.1
95.01372	0.6
97.02958	0.9
97.31595	0.2
99.00890	0.8
101.02446	2.0
106.00639	2.3
108.02198	0.3
108.57489	0.3
109.02956	3.3
110.00122	1.3
111.00903	0.9
111.04553	0.3
112.98818	0.5
113.02442	0.6
115.00435	0.3
119.03535	0.8
120.99312	0.4
121.02966	34.8
122.00120	2.0
122.03311	1.4
123.00903	3.4
125.02461	0.6
125.99606	1.9
127.00384	0.6
129.01955	0.4
135.04544	0.9
136.98830	0.8
137.02455	20.8
137.99649	1.8
138.03265	3.8
139.00378	0.9
139.03986	0.9
141.01985	0.4
152.04752	0.5
153.02042	1.9
153.05586	31.6
153.99089	1.1
154.05878	1.0
155.02393	0.5
155.03532	4.8
161.02435	0.6
167.25214	0.3
179.03464	0.8
179.05202	0.3
181.01442	4.1
182.02231	2.0
189.51410	0.3
196.03778	4.7
197.04562	100.0
198.04922	4.3
199.89107	0.3
210.59073	0.3
219.10260	0.3
263.09232	1.9
368.71716	0.3
371.95773	0.3
386.25601	0.3
428.13400	0.5
443.15515	26.6
444.15906	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	443.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22099	0.5
59.01376	1.8
63.45875	0.5
69.97786	1.0
70.49776	0.4
71.01384	0.6
72.99319	1.3
75.00879	100.0
76.01231	1.2
85.02968	1.0
101.02445	0.9
113.06118	1.3
114.73170	0.5
120.77984	0.5
122.03761	1.0
123.04596	0.9
135.04558	2.8
149.06082	0.9
150.06866	9.3
151.07687	4.8
161.04547	0.7
219.10413	0.7
281.10718	0.7
281.13916	1.5
322.51642	0.6
363.20148	0.5
399.13226	1.1
443.15369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88144	21.6
59.01366	100.0
65.56374	22.5
71.20729	24.1
90.38482	24.2
202.98756	39.2
261.14822	23.3
287.89868	24.2
329.17673	37.3
377.97150	25.1
382.92047	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.32483	1.1
55.01876	3.2
57.03440	2.7
58.37535	1.1
59.01384	54.3
60.01691	1.2
66.78475	1.0
67.21557	1.0
71.01386	34.1
71.13130	1.5
72.29216	1.0
72.99297	1.6
73.02956	7.5
74.02478	1.4
75.00909	1.3
77.91726	1.0
83.01395	6.1
83.05035	1.4
85.02958	13.5
87.00883	2.4
89.02452	17.8
95.01392	3.5
99.00870	1.7
101.02446	25.5
111.00876	1.7
113.02465	11.4
114.20412	1.0
115.00386	1.2
119.03519	8.7
119.05020	3.9
123.08241	1.2
132.02185	1.7
133.02960	8.4
134.03775	2.3
135.04593	5.1
139.07660	3.6
143.03531	1.4
159.02971	1.8
161.02460	16.3
161.04578	2.7
163.04021	4.4
168.07962	1.2
171.11795	1.5
178.48532	1.1
179.03499	3.2
189.12914	1.3
191.02007	1.3
191.10773	1.7
193.05086	3.0
197.04547	1.5
219.14053	1.2
221.04628	1.4
237.15021	1.6
239.12860	1.3
251.05652	1.8
267.02887	1.5
281.06540	2.3
281.13937	7.3
297.08163	1.5
369.86169	1.0
383.09860	6.1
443.12683	4.8
443.19220	100.0
444.19522	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	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01877	1.7
57.03444	2.2
59.01385	46.1
60.01701	0.8
63.01302	0.5
70.73734	0.8
71.01387	24.1
72.99290	0.8
73.02949	5.1
74.02470	1.0
75.00873	0.8
83.01395	4.9
83.05013	0.7
85.02954	12.4
87.00874	1.4
88.98826	0.6
89.02454	15.3
95.01390	1.6
99.00871	1.5
101.02452	20.4
111.04518	1.2
113.02448	8.7
116.00533	0.6
119.03522	5.9
119.07166	0.7
128.03497	0.6
131.03532	1.0
133.02953	3.1
135.04527	1.7
139.07666	1.4
161.02467	6.2
161.04512	2.9
173.95618	0.7
177.05515	0.6
179.03429	1.3
179.05675	1.0
189.12904	1.4
193.05101	0.8
221.04501	1.0
231.01140	0.7
239.13026	1.0
245.04414	0.6
250.02328	0.6
281.06668	1.1
281.13989	4.1
286.27484	0.6
383.09995	3.8
383.17319	1.1
428.21677	0.7
443.19241	100.0
444.19516	12.7
444.25070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87654	1.0
55.01868	1.6
57.03448	2.1
59.01383	98.2
60.13728	1.1
64.28261	1.1
69.03459	5.3
71.01388	47.1
72.99330	1.3
73.02952	100.0
77.58591	1.0
81.03467	4.2
83.01391	22.0
85.02946	12.0
87.00890	1.5
89.02452	2.0
95.01395	1.7
97.02953	5.6
99.00886	4.1
101.02453	47.4
101.03122	2.4
113.02464	15.2
125.02454	9.4
131.03552	1.3
133.03012	1.4
135.04532	1.8
143.03506	3.0
155.03500	8.4
155.10791	77.0
156.11133	3.9
161.02460	4.1
161.04596	1.4
165.06766	1.5
169.12347	11.8
179.03526	1.7
191.05853	1.3
197.11833	19.5
203.05725	1.7
209.11818	1.8
227.12900	2.0
239.12865	2.6
297.81998	1.0
436.10843	1.1
443.22577	1.5
443.62448	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	443.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56721	0.6
59.01127	0.7
59.01387	7.3
61.98826	2.5
68.99825	0.7
69.22437	0.6
69.33598	1.1
69.33998	1.9
71.01384	18.5
73.02940	2.0
83.01398	0.9
85.02956	2.5
89.02424	0.6
90.43935	0.5
90.69012	0.6
92.52750	0.6
99.00903	1.4
101.02428	0.9
107.06527	0.6
113.02442	0.9
115.00381	12.4
127.83347	0.6
129.02019	0.7
133.01436	1.2
134.03778	0.6
135.04552	2.7
151.11334	1.3
161.02446	1.8
161.04562	0.6
169.90715	0.7
179.03510	1.7
181.16023	0.6
185.11900	0.8
191.02036	1.0
195.14058	0.9
197.15486	1.4
207.13905	1.1
219.14075	0.6
223.16989	0.8
225.14969	10.9
233.15430	1.2
237.18622	2.2
247.17026	1.5
248.14209	0.8
248.88403	0.5
251.16605	2.5
263.16531	1.9
265.18124	11.9
273.18726	2.0
283.19165	27.7
284.19540	2.2
291.19720	3.9
309.20798	2.6
327.21777	100.0
328.22156	8.0
425.21887	2.0
439.01746	0.6
443.22916	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	443.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43631	0.3
57.03449	0.7
59.01384	1.5
61.98840	0.4
63.97200	0.2
69.03447	0.5
69.41631	1.1
71.01386	15.7
71.05038	0.3
73.02930	0.3
80.02672	0.3
83.05030	0.8
85.02940	2.7
89.87398	0.3
95.05035	0.9
97.06594	4.5
110.03759	0.4
111.04547	0.3
115.00387	10.1
125.09692	0.9
127.11306	1.2
133.01427	1.1
137.09715	0.5
155.10789	0.4
155.14427	0.4
163.11322	0.6
165.12865	1.2
167.14494	0.9
171.10295	5.9
177.12856	1.1
183.13905	3.1
185.11873	1.2
193.12317	1.4
197.11821	0.7
199.13359	0.4
203.10809	0.5
209.11859	2.0
211.13405	21.1
212.13782	1.3
221.11833	3.9
227.12886	0.5
229.14459	14.7
230.14803	0.9
239.12856	2.2
247.20471	0.7
257.13745	0.3
287.53210	0.3
291.19675	3.6
308.64841	0.3
309.20758	0.8
327.21777	100.0
328.22162	9.2
328.25134	0.2
344.09894	0.3
443.23215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74099	0.2
57.03441	0.2
58.00592	1.0
59.01122	0.3
59.01386	3.0
62.45595	0.2
63.90419	0.2
69.03426	0.4
71.01387	13.3
72.99313	0.3
77.33129	0.3
95.05051	0.3
97.06589	1.3
98.22741	0.3
109.06583	0.4
111.08169	6.3
111.08904	0.5
112.08536	0.3
115.00386	9.7
127.07626	0.6
128.67668	0.3
133.01433	0.9
141.09193	0.3
151.11409	0.4
153.09302	0.3
153.12811	0.5
167.10831	0.3
169.12341	4.9
171.10257	0.6
179.10698	0.3
181.12369	2.0
183.13884	0.6
192.24637	0.3
193.12408	0.5
195.13936	0.3
197.11844	40.7
198.12172	2.3
199.13411	7.0
200.13858	0.4
204.31264	0.2
211.13443	5.3
221.11754	0.5
227.12903	0.9
229.14474	1.2
239.12823	0.3
239.16560	0.5
263.20297	0.6
291.19690	2.7
309.20578	1.2
327.21786	100.0
328.22150	9.8
368.24033	0.3
443.23053	0.6
451.63965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79114	0.5
57.40270	0.5
58.00575	0.7
59.01385	22.3
61.53948	0.5
64.97226	0.5
67.99084	0.5
70.49236	0.6
70.49614	1.0
71.01386	14.6
72.99319	0.5
77.59093	0.4
82.95826	0.6
85.02936	0.6
92.65282	0.5
97.06611	1.5
101.02454	1.2
109.06633	0.6
111.08165	8.3
115.00391	9.4
127.07702	0.8
133.01450	0.6
153.12869	1.0
161.04567	1.0
169.12363	4.4
171.10266	1.6
171.23991	0.5
181.12315	1.0
185.11821	1.3
197.11845	37.2
198.12158	1.2
199.13406	4.1
209.11824	0.6
211.13432	1.7
221.11870	1.3
227.12834	1.3
239.12936	1.5
263.20187	1.8
291.19611	2.6
309.20837	2.4
327.21783	100.0
328.22150	8.0
330.58426	0.5
401.25375	1.5
443.72940	0.5
460.02069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.4
61.98829	1.1
64.68478	0.6
69.60030	1.3
69.60410	1.6
71.01385	12.9
73.56830	0.5
74.82764	0.6
82.95415	2.7
85.02967	1.0
97.06590	1.5
99.50817	0.6
102.81096	0.6
111.08150	6.8
115.00381	8.9
125.87290	0.6
127.07643	0.9
127.87051	0.9
133.01440	0.9
169.12387	4.8
181.12317	2.0
197.11833	34.9
198.12195	2.2
199.13377	6.8
209.11966	1.2
211.13399	4.7
227.12946	0.9
263.20126	0.9
291.19669	1.6
309.20819	1.4
327.21762	100.0
328.22110	8.6
329.17551	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	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
70.88564	1.4
71.01399	2.9
72.99291	1.8
85.02964	2.9
97.06596	23.3
99.00904	3.1
105.16917	1.8
109.06615	3.5
123.08169	2.7
125.06133	2.1
129.00911	1.7
129.01938	3.0
135.18947	1.4
136.05307	13.7
150.06870	8.4
151.11314	1.8
165.09229	40.8
185.49564	2.1
207.13960	2.2
212.07645	1.7
217.08626	2.0
219.10236	2.0
231.10243	5.2
232.11028	3.1
233.11861	7.0
234.12648	4.3
235.13397	2.5
245.15436	4.9
246.12605	30.0
247.11502	1.9
248.14178	80.0
249.14572	5.7
261.14993	4.4
263.16541	100.0
264.16861	8.6
298.10638	2.2
327.14606	13.0
328.14697	1.9
351.98053	1.5
366.13034	2.9
395.16974	8.3
396.18079	4.7
407.20746	4.0
410.19409	2.7
425.21838	66.2
426.22217	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	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24964	0.9
59.01379	5.9
61.98832	7.4
69.41227	4.9
71.01386	3.4
73.02956	1.2
83.05021	1.1
85.02979	1.5
95.05036	0.8
97.06602	23.5
97.36305	0.9
98.22676	1.2
99.00877	1.7
109.06594	2.2
119.05119	0.9
123.08092	1.3
125.06101	4.3
129.01987	2.7
135.03004	2.7
135.04552	2.8
136.05316	12.4
139.07697	1.8
143.03458	1.2
149.06111	1.0
150.06882	9.6
161.02481	1.6
163.07671	1.0
165.09227	37.9
166.09521	2.1
177.05492	1.2
179.03500	1.4
203.07092	1.5
204.07867	1.7
207.13951	2.4
217.08766	1.2
218.09538	1.3
219.10136	1.4
219.14021	1.2
227.07228	1.1
231.10246	4.4
232.10980	3.1
233.11826	6.1
234.12608	6.1
235.09756	2.0
235.13412	1.9
245.15520	4.2
246.12627	30.2
247.11833	1.2
247.13226	1.4
248.14192	77.4
249.14482	6.1
261.14975	3.1
263.16537	100.0
264.16846	6.2
273.11331	1.2
303.12424	1.3
317.17596	1.3
327.14554	9.8
327.21762	3.5
343.15558	1.3
366.13120	2.1
381.15738	1.3
389.20007	1.4
395.17130	10.4
396.17740	4.4
407.20816	4.5
410.19418	3.3
425.21854	56.2
426.22147	5.2
426.65262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	3.5
65.92977	0.7
69.03500	0.8
69.64506	2.9
71.01391	14.4
85.02956	2.6
85.18842	0.7
89.02448	1.3
95.05061	0.9
97.06593	2.7
101.02393	1.2
113.02473	0.8
113.24858	0.7
115.00381	9.1
119.03578	0.9
127.11328	0.9
133.01469	0.7
155.10851	0.9
157.09404	0.7
171.10260	7.4
177.12901	0.8
181.12357	0.9
183.13910	2.9
185.11862	1.4
187.11282	1.0
209.11890	1.2
211.13419	12.8
221.11864	2.0
229.14478	10.9
239.12901	1.2
291.19662	3.1
327.21790	100.0
328.22238	6.1
347.50955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45898	0.4
54.20779	0.4
57.17661	0.4
58.00611	1.2
59.01384	2.7
60.08046	0.4
69.05344	1.4
69.05769	1.7
71.01387	13.4
83.05020	0.6
84.88187	0.4
97.06580	2.0
98.22726	0.9
110.04939	0.4
111.08175	8.0
115.00378	11.6
127.07617	0.9
133.01456	1.1
149.81902	0.4
150.00801	0.4
153.12869	1.0
169.12364	5.1
181.12349	2.0
183.13898	0.7
197.11848	41.8
198.12129	2.2
199.13425	8.4
200.13757	0.5
211.13409	4.3
212.13747	0.5
227.12924	1.1
263.20187	1.5
271.15475	0.5
291.19623	2.5
309.20630	1.2
327.21774	100.0
328.22113	10.0
407.51410	0.4
408.55139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85804	0.7
51.60199	0.8
53.06495	0.7
59.01384	100.0
71.09583	0.7
90.47059	0.7
99.78057	0.7
120.90256	0.8
122.94516	0.8
141.01784	0.7
154.88303	1.0
170.53471	0.8
229.19051	0.8
301.21759	38.0
302.22104	3.7
319.22784	8.2
320.22995	1.1
341.20947	1.2
361.23871	76.3
362.24252	8.8
411.53769	0.9
443.24210	32.5
444.24548	4.1
449.97250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49017	0.5
71.17908	0.8
76.16828	0.5
88.45069	0.6
159.08476	4.2
168.76231	0.5
193.91104	0.6
260.51694	0.8
277.07657	1.1
304.56714	0.6
312.61609	0.5
357.13782	1.1
359.15369	100.0
360.15506	14.7
377.16519	0.8
427.21616	45.8
428.21783	8.7
443.24802	2.8
444.25098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46423	2.8
57.03438	2.9
58.16622	2.4
59.01383	29.4
69.45881	2.9
70.47272	4.3
71.01382	42.5
73.02930	15.4
83.01406	6.8
85.02975	23.7
87.00874	4.5
89.02466	3.8
95.01424	3.0
98.55844	2.7
99.00869	6.0
101.02454	40.8
113.02466	19.5
115.99580	2.9
122.03752	5.1
147.04573	5.1
159.02945	6.3
161.04558	28.0
181.06590	6.8
182.07289	3.3
197.09764	7.6
199.07715	3.2
199.28880	2.9
211.04050	4.9
223.07632	32.4
225.05743	4.3
226.06387	25.1
240.07832	3.2
241.08728	76.4
269.10321	100.0
270.10623	8.9
306.81274	2.9
377.87418	2.6
401.14545	44.1
402.14825	4.7
408.90585	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	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98836	100.0
62.87477	0.5
69.40019	2.4
71.01385	0.8
73.02979	0.5
80.89115	0.5
81.82632	0.5
83.52155	0.6
85.02972	1.2
98.22663	1.0
101.02475	0.6
113.02466	0.8
155.22041	0.5
241.08797	0.9
250.13907	0.6
251.13977	0.8
384.18671	1.0
445.20972	0.7
461.00204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19356	0.4
54.41494	0.3
54.68919	0.3
55.39959	0.3
59.01393	2.6
60.09796	0.3
61.98835	100.0
62.61768	0.3
65.98415	0.3
71.01399	0.7
71.40281	0.5
71.93627	0.3
72.17915	0.3
81.79499	0.3
85.02974	1.6
88.47083	0.4
99.00854	0.5
113.02457	0.4
113.77608	0.4
135.04536	0.8
147.03084	0.6
161.02577	0.4
179.03520	0.6
269.87820	0.4
405.30698	0.4
464.58319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37299	0.5
59.01371	0.9
62.68691	0.4
63.68311	0.5
71.40040	0.4
78.95911	51.5
80.88846	0.4
85.02946	0.5
88.97363	0.4
92.00259	0.4
96.96078	6.6
96.96971	100.0
103.75666	0.4
104.09320	0.4
113.71091	0.4
114.93400	0.5
118.97985	0.4
124.89274	0.4
161.02448	0.7
189.52759	0.5
254.80569	0.5
269.04449	0.5
326.36914	0.5
359.83188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81441	3.2
57.03458	3.5
59.01377	28.5
69.49965	16.5
71.01379	20.8
72.00913	12.7
74.02464	21.0
74.10148	3.1
74.51538	4.1
75.00874	60.6
78.95916	24.4
85.02937	9.6
89.02445	16.5
96.96967	47.1
101.02436	10.0
103.00379	83.0
104.02901	6.2
104.03547	100.0
108.02174	7.1
115.00357	3.1
119.03514	3.4
123.04554	4.0
151.02611	3.7
152.01126	7.0
161.02390	4.7
161.04543	3.6
167.03525	32.3
169.78191	3.9
179.05588	8.0
209.03011	4.2
229.03300	3.4
246.98624	7.6
341.10843	14.3
355.82684	3.4
368.18063	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81441	3.2
57.03458	3.5
59.01377	28.5
69.49965	16.5
71.01379	20.8
72.00913	12.7
74.02464	21.0
74.10148	3.1
74.51538	4.1
75.00874	60.6
78.95916	24.4
85.02937	9.6
89.02445	16.5
96.96967	47.1
101.02436	10.0
103.00379	83.0
104.02901	6.2
104.03547	100.0
108.02174	7.1
115.00357	3.1
119.03514	3.4
123.04554	4.0
151.02611	3.7
152.01126	7.0
161.02390	4.7
161.04543	3.6
167.03525	32.3
169.78191	3.9
179.05588	8.0
209.03011	4.2
229.03300	3.4
246.98624	7.6
341.10843	14.3
355.82684	3.4
368.18063	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92797	0.6
57.03452	0.9
59.01387	7.7
61.98831	2.7
64.65948	0.7
71.01396	4.7
73.02946	1.5
75.24658	0.8
82.02965	2.0
83.01405	0.9
85.02943	5.4
89.89376	0.6
99.00874	1.9
101.02462	1.1
106.06605	1.7
113.02435	1.0
115.00378	4.4
122.06017	1.1
124.04060	0.7
132.04576	7.6
133.01448	3.3
133.05362	7.9
134.06133	15.0
135.04514	0.6
135.06413	0.6
147.03011	0.8
160.04057	8.2
161.04842	32.9
162.05620	41.0
163.05969	2.4
175.66069	0.6
176.03531	1.2
178.14355	0.8
191.02090	1.4
192.43292	0.7
193.03816	13.0
194.04262	0.9
212.07239	1.8
213.08118	0.8
214.08728	1.4
221.06270	0.6
236.62563	0.6
241.06268	2.1
242.11876	1.9
243.11325	1.8
257.09329	4.7
268.09802	1.6
269.09283	4.6
270.10068	0.7
285.12460	30.8
286.12698	2.1
311.10403	4.4
329.11447	100.0
330.11816	9.4
403.15128	1.2
445.15988	1.1
448.60947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49753	0.8
59.01384	13.0
68.32706	0.7
69.03468	2.0
71.01387	12.1
71.39209	1.1
72.99310	2.5
73.02967	0.9
78.95914	3.0
80.91690	13.5
81.03481	1.1
83.05035	25.7
85.02960	8.4
89.02464	5.6
95.01379	0.9
95.05019	1.2
96.95994	1.1
96.96979	5.4
97.02967	7.0
98.99439	2.5
99.00893	58.1
99.04523	1.1
100.35271	0.8
101.00961	0.9
101.02481	3.3
111.04547	0.9
113.01026	1.0
113.02478	5.3
119.03495	1.7
121.02966	2.0
123.04546	1.4
125.00974	1.1
125.02470	10.9
127.04051	2.4
139.04021	7.3
141.00468	6.9
141.01732	3.1
151.03767	1.0
153.00464	2.9
155.02065	1.0
157.05098	6.7
161.02235	1.9
161.04634	0.9
161.06046	1.2
165.05592	5.7
179.03275	6.6
179.05641	2.2
180.99939	9.0
183.06641	6.7
187.03775	1.0
189.04115	1.8
191.15695	0.7
199.01045	1.2
201.02559	1.8
201.07768	4.4
205.04918	19.1
207.01440	2.2
208.99661	1.0
223.01071	1.5
223.06134	5.5
247.04625	3.0
260.20605	0.7
265.05740	8.0
283.03009	5.0
309.05804	1.4
325.50745	0.7
341.07632	1.0
351.56226	0.8
363.13068	7.5
385.10516	100.0
386.10318	10.5
445.11832	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94019	0.5
55.01897	0.5
56.15760	0.5
59.01384	10.9
61.11469	0.4
69.98238	1.0
71.01383	5.8
71.76441	0.5
73.02942	1.5
85.02958	2.4
89.02450	4.2
89.91196	0.5
96.75023	0.4
99.00895	0.6
101.02435	3.4
112.35809	0.4
113.02468	3.0
115.42192	0.5
117.03488	1.3
119.03518	0.8
119.05054	0.8
121.05076	1.7
132.02176	1.1
133.02974	31.6
134.03520	0.7
135.04547	10.8
161.02460	100.0
162.02777	4.6
163.04054	0.6
179.03513	5.5
246.02583	0.4
269.04468	0.6
310.58496	0.5
445.13495	59.9
446.13797	5.8
469.21442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59251	0.8
57.03447	3.5
57.39452	0.9
59.01385	87.6
64.69866	0.9
69.03444	1.1
69.79847	1.2
69.80183	2.4
71.01388	59.5
72.01727	1.3
72.99329	1.8
73.02954	7.4
83.01408	2.9
84.02183	1.0
85.02959	43.0
86.03313	1.3
87.00885	2.7
89.02452	43.3
95.01391	13.7
97.02969	0.9
98.21983	1.5
99.00879	1.7
101.02451	19.8
103.04042	2.7
113.02460	100.0
113.66714	0.9
114.02814	2.4
119.03547	14.4
119.05035	26.6
120.05389	1.6
125.02464	2.2
127.03992	1.0
129.27211	0.8
131.03484	3.4
135.04483	1.1
137.06102	2.6
143.03500	5.3
149.04530	1.8
151.04005	3.1
161.02454	2.3
161.04568	20.4
163.06117	3.2
166.43079	0.9
179.03571	2.0
179.05615	4.8
223.07637	1.5
226.06465	1.4
241.08698	5.7
266.18964	0.9
299.11356	20.5
300.11603	1.5
445.17181	89.5
446.11514	1.4
446.17535	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
57.03438	3.2
58.00594	1.2
59.01386	100.0
59.03453	1.3
61.98828	1.3
70.84754	1.7
71.01391	65.3
73.02953	16.0
76.54429	1.3
83.01398	9.7
84.08214	1.4
85.02957	25.5
87.00901	8.9
89.02457	51.5
95.01401	6.0
97.03013	1.9
99.00882	5.1
99.63073	1.2
101.02454	46.2
101.14581	1.3
101.60242	1.5
113.02465	31.4
119.03518	22.0
125.02461	2.1
125.06088	3.9
131.03500	12.7
133.02866	1.5
133.06589	1.6
134.15968	1.3
135.04512	3.5
143.03557	7.4
149.04570	1.6
159.02983	4.5
159.11826	1.7
161.02515	2.9
161.04581	23.6
168.21194	1.2
177.31004	1.2
179.03468	2.4
179.05641	38.0
180.06050	1.2
191.02017	1.8
203.10789	3.8
221.06683	42.3
221.11600	1.5
222.06998	1.3
241.08659	3.4
241.14407	1.8
247.46782	1.3
263.07806	10.4
423.68640	1.4
445.16690	9.5
445.64182	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	445.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
57.03438	3.2
58.00594	1.2
59.01386	100.0
59.03453	1.3
61.98828	1.3
70.84754	1.7
71.01391	65.3
73.02953	16.0
76.54429	1.3
83.01398	9.7
84.08214	1.4
85.02957	25.5
87.00901	8.9
89.02457	51.5
95.01401	6.0
97.03013	1.9
99.00882	5.1
99.63073	1.2
101.02454	46.2
101.14581	1.3
101.60242	1.5
113.02465	31.4
119.03518	22.0
125.02461	2.1
125.06088	3.9
131.03500	12.7
133.02866	1.5
133.06589	1.6
134.15968	1.3
135.04512	3.5
143.03557	7.4
149.04570	1.6
159.02983	4.5
159.11826	1.7
161.02515	2.9
161.04581	23.6
168.21194	1.2
177.31004	1.2
179.03468	2.4
179.05641	38.0
180.06050	1.2
191.02017	1.8
203.10789	3.8
221.06683	42.3
221.11600	1.5
222.06998	1.3
241.08659	3.4
241.14407	1.8
247.46782	1.3
263.07806	10.4
423.68640	1.4
445.16690	9.5
445.64182	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03471	0.9
59.01385	100.0
60.01716	1.0
71.01385	10.5
71.01744	0.8
73.02963	1.7
83.01417	0.4
85.02962	8.9
85.03476	0.5
87.00879	0.9
89.02454	15.3
95.01394	0.7
96.17086	0.5
101.02455	7.3
111.00893	0.7
113.02463	5.5
119.03510	7.0
129.01993	0.5
129.24313	0.5
131.03526	1.1
143.03568	1.5
147.03069	0.8
161.02441	0.5
161.04597	2.2
179.03514	0.8
179.05659	3.4
191.01979	2.2
229.05678	0.7
283.15656	0.5
291.42819	0.5
385.19003	1.9
422.90445	0.5
441.30060	0.4
445.15616	0.9
445.21283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75709	0.6
55.01871	0.7
57.03465	1.0
59.01384	100.0
69.54917	0.6
69.81010	2.0
71.01386	22.3
73.02962	2.9
73.04091	0.6
83.01386	1.0
85.02962	6.3
87.00898	1.4
88.04067	0.6
89.02454	27.7
95.01409	1.4
97.02974	1.0
98.21940	1.3
99.00889	1.2
101.02452	12.4
113.02451	9.7
115.00375	1.0
119.03515	11.1
121.02977	1.2
131.03500	1.6
138.06886	1.7
143.03522	3.1
149.04616	1.1
151.07715	2.3
152.08429	4.5
153.09236	14.3
159.02968	0.7
161.04565	9.2
163.62857	0.7
179.05627	10.4
205.12361	3.6
206.20909	0.7
207.15022	0.7
209.11949	2.3
223.13397	5.2
275.26715	0.6
281.19952	1.6
299.20920	0.7
330.20477	1.4
385.14337	0.8
385.18741	7.6
445.22906	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	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
78.95908	7.3
109.12150	0.5
110.98546	6.0
126.43363	0.6
152.99559	0.5
167.01138	2.4
185.02217	4.8
212.57697	0.7
259.20480	0.6
277.21747	100.0
278.22119	9.4
279.91373	0.7
281.64642	0.6
333.18658	0.7
445.23660	3.6
446.24307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85437	1.1
70.65245	1.1
75.23820	1.2
78.08401	1.0
78.95900	5.7
82.64046	1.0
96.72212	1.2
110.98554	5.7
121.02980	1.5
185.02214	4.7
232.25830	1.1
269.04520	4.8
277.21759	100.0
278.22070	9.4
319.63791	1.3
398.92273	1.2
407.98444	1.1
416.85425	1.2
445.23730	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	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
78.95907	7.3
101.85968	0.5
110.98544	5.2
122.62191	0.5
128.13655	0.5
167.01167	3.0
175.93317	0.4
185.02226	4.0
277.21753	100.0
278.22128	9.9
445.23621	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	445.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78634	0.4
57.03438	0.9
59.01385	1.6
61.98837	1.1
69.44151	1.7
69.76370	0.4
69.92706	0.3
71.01384	13.6
71.04998	0.4
85.02949	0.8
98.21922	0.5
99.08150	4.0
100.30833	0.4
105.04650	0.3
106.50387	0.4
115.00384	8.8
115.01165	0.7
116.92841	1.0
125.09747	1.2
127.11304	3.2
129.09264	0.4
130.65497	0.4
133.01428	1.2
133.02962	0.5
135.04561	0.9
139.07608	0.5
139.11305	4.5
141.05632	0.4
155.10851	0.7
155.14421	0.6
161.02422	0.6
165.12910	0.6
167.14429	0.8
171.10277	13.3
172.10651	1.2
175.02405	0.5
179.03545	0.9
183.13914	3.4
193.12321	1.2
197.11870	0.5
199.13400	0.8
209.11836	1.1
211.13399	23.6
212.13731	1.1
223.13504	0.5
229.14444	13.8
230.14854	1.1
293.21323	0.6
311.22348	1.0
327.21362	0.4
328.22226	0.5
329.23343	100.0
330.23688	10.2
385.25137	0.5
445.16156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02867	0.5
55.01878	1.1
59.01384	2.4
69.03466	1.0
70.02968	0.9
70.72965	0.8
71.01391	0.9
71.05025	4.6
73.02934	0.8
81.03458	10.9
82.02997	0.7
83.01396	2.7
83.05026	2.3
96.04557	12.7
97.02977	0.6
98.02487	2.1
98.06119	6.9
101.02434	1.3
107.01377	0.7
107.04986	0.6
120.01245	1.8
123.04510	1.3
125.02461	1.0
126.05619	100.0
127.05954	2.5
133.06593	2.0
135.00931	1.2
135.04556	0.6
159.04427	0.7
161.06084	12.7
170.04623	5.4
179.03467	0.7
204.03365	89.7
205.03665	3.4
215.10785	0.5
225.09105	0.9
241.08713	1.0
242.05904	0.6
243.10265	24.4
380.65036	1.0
381.15140	0.9
430.15491	0.9
438.21402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.7
66.82466	0.7
69.17722	4.2
71.01388	6.4
72.00911	11.4
72.99307	3.2
73.02943	1.0
74.02478	20.9
75.00884	4.0
78.95927	1.4
85.02960	2.5
87.00881	0.7
89.02442	5.8
96.96975	2.7
99.00898	0.9
101.02449	4.3
103.00419	1.8
104.03546	100.0
105.01943	54.7
105.03864	2.3
108.02195	0.8
113.02426	1.4
119.03492	1.9
131.03543	0.9
133.01428	0.9
134.03758	1.3
135.04512	5.0
147.03043	1.5
152.01176	2.1
161.04512	1.8
165.58627	0.7
179.03485	3.8
179.05634	2.8
191.02016	0.9
193.63678	0.7
216.99109	3.8
261.79501	0.7
300.12961	0.7
341.10928	11.9
342.11310	1.2
345.90948	0.7
407.10696	0.7
413.21490	0.7
446.22223	0.7
447.11398	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	446.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.7
66.82466	0.7
69.17722	4.2
71.01388	6.4
72.00911	11.4
72.99307	3.2
73.02943	1.0
74.02478	20.9
75.00884	4.0
78.95927	1.4
85.02960	2.5
87.00881	0.7
89.02442	5.8
96.96975	2.7
99.00898	0.9
101.02449	4.3
103.00419	1.8
104.03546	100.0
105.01943	54.7
105.03864	2.3
108.02195	0.8
113.02426	1.4
119.03492	1.9
131.03543	0.9
133.01428	0.9
134.03758	1.3
135.04512	5.0
147.03043	1.5
152.01176	2.1
161.04512	1.8
165.58627	0.7
179.03485	3.8
179.05634	2.8
191.02016	0.9
193.63678	0.7
216.99109	3.8
261.79501	0.7
300.12961	0.7
341.10928	11.9
342.11310	1.2
345.90948	0.7
407.10696	0.7
413.21490	0.7
446.22223	0.7
447.11398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
69.14411	1.5
69.14816	1.4
73.02960	0.5
83.55631	0.5
85.02955	0.8
91.47447	0.5
96.36238	0.5
99.00883	0.7
100.93362	0.9
106.69090	0.4
107.01399	0.6
109.02988	0.6
110.68679	0.5
115.92105	0.6
116.92812	0.5
135.04453	0.6
137.09734	0.8
144.22729	0.5
151.00395	2.8
155.10788	1.6
162.02827	0.5
163.00351	1.0
163.10753	0.4
183.04512	1.3
191.05565	0.8
199.09795	1.6
211.04036	1.6
211.13368	1.4
213.05486	0.5
227.03520	64.4
228.03902	4.5
229.05058	1.7
239.03598	0.8
255.03000	79.4
256.03580	9.5
257.04422	1.4
278.24347	0.5
284.03290	66.0
285.04007	19.9
286.04532	1.1
327.05164	1.1
331.13773	0.6
331.17355	0.5
447.09344	100.0
448.09665	12.4
453.43909	0.5
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
57.01043	0.4
59.01384	2.0
64.32909	0.4
69.59017	1.7
83.01384	0.5
85.46555	0.4
91.01904	0.4
93.03460	0.5
107.01432	0.9
109.68127	0.4
125.02407	0.5
135.00897	0.5
135.04602	0.4
145.76164	0.4
151.00407	2.9
159.04472	0.6
163.00403	0.9
174.03276	0.6
174.95200	0.4
178.99879	0.7
183.04474	1.2
183.10268	0.6
184.42827	0.4
185.06036	0.6
185.60634	0.4
187.04083	0.8
195.88940	0.4
197.51128	0.4
199.03847	0.5
211.03940	2.2
211.13452	0.7
212.38188	0.3
212.40617	0.4
213.05611	0.6
227.03520	78.5
228.03888	5.2
229.05119	2.4
239.03529	0.4
241.51926	0.5
244.46288	0.4
255.03003	100.0
256.03583	12.9
257.04495	1.6
269.04419	0.5
284.03284	71.3
285.03992	29.0
286.04385	1.5
327.05203	1.8
430.79282	0.4
447.09348	87.2
448.09705	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
69.01698	2.9
70.26611	0.4
83.01394	0.4
83.50224	0.4
85.02940	0.8
99.00887	1.0
100.93362	1.0
101.02459	0.8
107.01391	0.7
113.02461	0.5
115.00381	0.6
115.92076	1.1
116.92897	0.5
125.02503	0.5
131.03517	0.4
137.09743	0.7
139.74478	0.4
151.00386	2.5
155.10786	2.0
161.02505	0.6
161.04614	0.7
162.02724	0.4
163.00356	0.8
174.03250	0.6
178.99905	0.6
179.03484	0.9
183.04489	1.0
185.06096	0.9
187.04018	0.8
191.05634	0.6
199.09772	2.0
211.04037	2.4
211.13441	1.7
213.05661	0.5
227.03517	69.1
228.03860	4.5
229.05089	1.4
239.03598	0.9
241.05064	0.5
255.03004	88.3
256.03610	12.6
257.04520	1.4
284.03281	75.4
285.03989	25.7
286.04373	1.2
327.05081	1.3
352.95111	0.5
447.09351	100.0
448.09714	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50655	0.8
59.01382	55.8
71.01392	7.1
72.99287	0.8
73.02938	2.9
81.03451	0.9
82.95426	4.4
83.01364	1.1
85.02959	5.7
89.02447	1.7
99.00890	3.5
101.02443	3.1
108.02183	53.7
109.02989	16.9
109.08604	0.8
111.04520	1.3
113.02425	2.5
123.04530	1.4
139.04128	0.8
151.04028	2.4
152.01166	91.5
153.01639	4.7
158.86549	0.9
161.04616	1.9
163.03992	3.2
165.05554	1.0
168.81189	0.7
179.03520	0.9
183.06610	1.4
184.50105	0.7
228.50414	0.9
315.07141	1.0
324.62961	0.8
358.64688	0.9
387.09686	1.9
438.02335	0.8
447.11459	100.0
448.11774	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	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96415	1.3
67.17066	0.2
69.55965	0.4
69.56372	0.7
78.95914	38.8
90.15418	0.2
96.96979	3.0
98.22665	0.4
149.00105	19.5
150.00505	0.3
151.01640	0.3
152.99640	0.5
158.92551	1.9
162.56325	0.2
179.01202	2.4
205.15944	1.4
206.21266	0.2
211.13423	0.3
230.20201	0.2
230.85480	0.2
240.96722	0.4
267.11646	0.2
347.08261	0.6
402.51129	0.2
417.12555	1.1
431.10278	2.2
432.11392	0.3
447.13470	100.0
448.13785	8.9
464.10126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23534	0.3
59.01384	2.8
67.16757	0.3
69.09634	1.8
72.00912	0.8
72.99313	3.3
74.02485	1.7
75.00876	5.7
75.01270	0.5
87.00886	0.4
89.02453	0.8
95.62333	0.3
103.00370	0.8
104.03544	7.0
105.01941	100.0
106.02277	1.4
119.23531	0.4
139.59930	0.3
145.65268	0.3
158.53838	0.2
179.05635	0.4
200.39893	0.2
307.36157	0.3
341.10901	0.4
342.11319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.5
70.37545	0.7
70.37863	0.8
71.01028	0.9
71.01385	12.0
82.95423	21.6
85.02942	2.0
89.02440	1.0
96.04554	1.7
99.00898	1.0
101.02428	0.8
108.02219	0.6
115.00379	7.2
120.04505	0.6
121.02979	0.7
122.06092	1.4
125.02465	0.8
132.21655	0.6
133.01462	4.0
134.06154	2.3
146.40976	0.6
150.53166	0.6
152.01184	0.7
159.05672	1.3
161.02455	1.4
164.07277	0.8
168.06697	1.4
180.06708	0.8
182.08221	2.5
197.04572	1.3
211.13423	4.7
212.10857	6.7
225.06691	1.5
226.07484	2.4
239.08253	2.1
240.09015	7.2
243.06595	3.8
249.14987	0.7
253.09462	0.8
255.11404	100.0
256.11734	7.7
299.10324	1.8
322.76138	0.7
331.12994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
57.03426	1.0
59.01384	41.7
71.01028	1.4
71.01387	23.0
72.05252	0.8
72.99298	1.0
73.02946	16.7
74.58969	0.8
83.01394	1.6
85.02943	8.6
87.00871	0.8
88.71249	1.0
88.98782	1.4
89.02453	26.2
95.01382	2.6
96.95997	0.8
99.00886	60.3
101.02454	11.0
113.02450	21.3
119.03497	4.6
123.04517	2.4
128.03575	1.0
131.03506	5.1
134.03706	1.0
135.04532	31.6
136.04807	1.5
149.04576	8.7
153.05527	1.9
161.04640	4.8
179.05588	1.0
182.03537	0.9
191.05614	11.0
193.36137	0.9
197.04694	1.1
212.89418	0.9
215.09332	0.9
233.06683	1.6
239.80522	0.8
315.10883	13.2
316.10880	0.9
447.15097	100.0
448.15433	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	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38391	0.7
57.03446	3.6
59.01386	6.7
61.14705	0.7
62.70054	0.6
70.43168	0.8
70.62460	1.4
73.02933	1.1
83.01385	1.4
87.61446	0.7
101.02451	100.0
102.02800	1.9
104.03554	2.1
105.01936	7.2
175.91112	0.8
262.03033	0.8
264.08887	1.1
277.17905	0.7
454.92603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	1.0
61.98860	0.8
69.10503	4.6
71.01383	7.5
73.02966	0.9
85.02962	3.7
89.02455	11.2
101.02485	3.2
113.02464	3.3
119.03526	4.0
131.03487	0.7
137.06079	1.3
149.04608	1.6
161.02513	0.9
165.05608	2.6
169.83644	0.7
179.03587	1.4
179.05687	2.9
395.06085	0.8
447.11508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
59.01389	100.0
63.74645	1.4
71.01382	13.9
73.02965	9.3
83.05039	1.8
85.02973	7.5
87.00901	2.3
89.02462	5.8
95.01343	1.4
99.00909	5.9
101.02467	8.1
111.00903	4.0
113.02462	6.8
125.02468	1.8
129.01976	4.3
131.03572	2.2
135.04478	2.8
159.03029	15.0
161.02501	2.8
161.04584	4.0
167.07246	2.9
179.03502	4.4
191.01930	2.1
195.13968	2.0
207.10289	2.6
207.13788	1.9
211.78453	1.6
267.12448	2.5
385.56305	1.6
387.20261	2.4
447.18689	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01386	27.3
61.98832	1.7
69.57059	3.1
71.01383	9.6
71.70056	0.8
72.99319	1.8
73.02954	18.9
73.77056	0.8
74.03291	0.8
82.47517	0.8
83.01395	3.9
85.02959	12.8
85.54959	0.8
87.00868	1.5
87.04495	1.1
89.02454	2.7
89.41253	0.7
93.46877	0.9
95.40530	0.8
101.02454	11.8
107.05038	30.8
109.02962	4.9
109.06600	0.9
111.00922	1.5
111.04530	22.9
113.02460	2.6
116.47678	0.8
123.08187	1.3
129.01971	2.8
133.06540	0.9
135.04536	22.9
136.04849	1.3
137.02428	1.0
137.06093	8.3
161.02451	4.2
161.04663	1.6
161.06070	1.2
179.03510	2.4
181.05086	1.0
181.10272	1.5
183.08134	5.3
184.08826	1.2
185.08142	1.5
191.01912	2.0
197.09731	26.8
198.10059	1.6
199.11336	4.5
210.06895	3.4
225.09224	23.3
226.09549	2.0
241.08723	1.5
243.10262	100.0
244.10612	7.7
245.11794	6.7
261.06058	0.8
284.03427	0.9
331.15601	0.8
350.23355	0.7
393.15460	0.9
405.15921	0.8
405.21271	1.2
447.16678	69.3
447.22049	3.6
448.16852	8.5
452.90009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
59.01387	35.9
68.99812	7.3
69.31563	8.5
69.31973	12.1
71.01389	19.5
73.02954	12.0
83.01395	8.8
85.02966	20.4
88.47459	3.2
88.84271	3.4
98.07529	3.9
99.00896	31.8
101.02459	23.9
113.02444	8.8
131.03500	6.1
135.32762	4.7
139.13142	3.5
211.13445	7.7
227.03404	5.1
247.13431	4.6
255.03011	7.6
285.04077	17.8
319.15436	6.4
331.17630	14.1
347.17099	100.0
348.17203	6.5
415.16272	6.2
444.47736	4.6
447.09280	13.0
447.17862	35.4
448.18552	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	447.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22960	1.4
55.09707	1.6
57.03477	1.5
57.28333	1.2
59.01385	15.6
64.98633	1.3
65.03971	1.8
68.99821	2.8
69.03474	2.0
71.01392	9.1
73.02945	3.4
75.00897	1.4
79.72105	1.4
81.03465	5.4
82.02984	6.6
83.01396	5.3
85.02949	7.0
87.00888	1.7
89.02459	4.7
94.02997	4.2
94.81090	1.3
95.01353	1.5
96.04536	2.1
97.06610	1.9
98.00105	5.6
98.22804	2.7
99.00880	8.9
101.02422	5.9
109.02960	20.3
113.02478	8.0
123.04496	4.2
125.02528	1.5
127.04063	1.4
128.17972	1.2
131.03471	1.4
135.04539	2.5
141.05603	22.0
161.02470	7.1
161.04555	3.4
168.06645	11.2
178.56441	1.2
179.03456	1.6
180.06622	3.1
182.08260	1.9
183.13884	6.0
184.67210	1.6
193.12396	2.2
207.13936	1.6
211.13405	86.1
212.13773	5.6
219.10239	2.7
228.74768	1.6
231.13852	5.0
232.10989	2.5
234.12604	2.8
235.13477	1.8
243.79219	1.6
243.81607	1.5
247.13405	5.8
249.14955	32.3
250.15228	2.3
251.12856	2.3
253.09344	11.9
258.12482	1.4
261.14999	7.9
271.05786	3.5
284.14203	1.5
285.11258	2.3
286.12006	1.9
287.12888	3.8
287.16364	1.7
299.13174	2.5
299.16467	13.5
301.14331	7.4
303.15826	3.9
304.07455	1.5
314.11520	4.6
315.15839	7.1
317.17728	3.5
328.13403	1.9
343.15527	14.5
346.14221	8.1
347.17178	2.9
361.16629	12.7
375.18143	100.0
376.18332	12.0
379.17487	1.6
393.19156	23.7
447.11789	2.3
447.17841	38.5
448.18213	5.8
448.23648	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	447.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25643	0.9
53.59490	0.8
57.03401	1.0
58.06154	1.0
59.01375	9.4
65.03958	1.4
71.01384	5.9
73.02937	1.8
81.03450	3.4
83.01385	2.3
85.02946	2.1
89.02441	2.2
98.00092	4.1
99.00881	2.6
101.02425	3.6
109.02962	13.1
113.02462	2.5
121.06633	1.3
123.08167	1.2
126.05601	2.8
131.03508	1.3
135.04547	1.5
141.05585	14.5
161.02408	1.1
161.04535	1.6
168.06627	1.6
168.63490	1.1
179.03467	2.1
180.87651	1.0
183.13840	2.2
193.08636	2.3
211.13406	44.1
212.13757	1.7
219.10197	1.4
231.13858	2.4
232.11043	1.6
233.11948	1.8
236.10547	1.2
243.06244	1.5
247.13376	4.8
249.14955	13.2
250.15297	1.3
253.09328	6.0
257.11688	1.0
261.14987	5.5
270.12622	1.4
271.09686	2.0
284.14197	1.6
286.12088	1.4
287.12900	2.6
299.16547	13.0
301.14456	6.9
303.16098	2.1
314.11676	3.7
315.12610	1.6
315.15973	4.7
317.17621	2.0
331.19107	2.6
343.15491	13.7
344.16052	1.3
345.02280	1.1
346.14398	5.6
361.16473	3.9
375.18143	100.0
376.18475	11.8
393.19263	17.3
394.19781	1.7
447.17844	37.5
447.23938	2.1
448.18130	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01706	1.2
61.98836	15.8
67.59989	1.0
69.77980	3.0
71.01375	6.7
73.02958	2.9
74.87006	0.8
78.88117	0.8
85.02968	2.7
89.02448	5.0
101.02434	4.9
112.03688	0.8
113.02480	3.3
119.03528	1.9
123.08168	1.2
159.02919	0.9
161.04599	3.7
163.11298	1.0
164.26529	0.8
179.05606	2.1
189.12906	2.4
203.06386	0.8
206.97244	0.8
207.13939	3.5
225.14935	1.2
275.10172	0.9
334.91855	0.8
387.20090	2.3
460.99710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01710	1.1
65.38164	0.4
69.39542	1.9
71.01392	4.7
72.20656	0.5
73.02953	1.2
82.45193	0.4
83.01423	0.9
85.02965	1.0
89.02453	4.6
92.96584	0.5
96.53157	0.4
99.00854	0.5
101.02448	2.6
113.02451	2.7
119.03500	2.1
125.21854	0.5
135.23558	0.5
143.03503	0.5
155.54085	0.6
159.03035	0.6
161.04544	3.4
161.99225	0.5
177.22874	0.5
179.05708	0.8
202.77362	0.4
221.94148	0.5
387.20346	7.4
388.20932	0.8
407.07120	0.5
447.22586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74174	0.5
55.01905	0.5
57.03447	1.1
59.01384	100.0
59.88586	0.6
60.01704	0.7
61.98833	1.2
70.80056	0.5
71.01385	6.1
73.02960	2.5
78.81999	0.5
83.01406	0.8
84.04580	0.5
85.02961	3.7
87.00872	1.2
89.02452	3.6
95.01407	0.9
97.26522	0.6
101.02452	4.1
103.44193	0.6
113.02433	2.8
119.03533	1.3
121.02941	0.8
123.04491	0.8
131.03563	0.8
133.02995	1.4
135.04512	4.0
139.17255	0.7
155.01765	1.8
159.03064	0.9
161.02473	4.2
161.04634	1.6
178.60469	0.7
179.03542	4.1
187.92781	0.6
191.28012	0.5
243.10237	1.2
299.99152	0.7
387.20215	3.9
406.29221	0.5
438.63373	3.0
447.06577	0.7
447.22305	1.7
448.16580	0.6
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
59.01384	100.0
60.01723	0.7
71.01387	9.5
72.99323	0.6
73.02963	1.8
81.03469	0.7
83.01394	0.9
85.02956	2.2
89.02452	14.6
90.80773	0.4
94.79881	0.4
95.01399	1.1
96.96057	0.9
98.21862	1.2
99.04533	2.7
101.02451	6.0
113.02467	5.6
119.03517	5.8
125.09706	0.6
131.03551	0.9
135.04565	1.0
143.03546	1.7
149.04573	1.1
161.02484	0.7
161.04469	2.2
168.55876	0.4
176.91092	0.4
179.03648	1.0
179.05623	8.6
179.07202	0.6
180.06062	0.5
186.23521	0.5
215.14009	0.4
387.20496	0.5
447.10913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41733	0.6
55.01878	6.4
56.39131	0.6
57.03452	5.9
58.00601	0.9
59.01384	67.2
68.99811	1.1
69.03461	2.3
69.23853	3.5
71.01388	100.0
72.01720	1.5
72.99303	1.7
73.02952	30.7
75.00868	1.9
83.01396	12.5
84.02180	1.1
85.02956	41.4
86.00124	0.9
86.03272	0.7
87.00878	4.4
89.02453	30.9
95.01398	6.4
95.64298	0.6
97.02970	3.0
98.21893	1.5
99.00883	14.5
99.87693	0.6
100.01666	1.0
101.02452	63.4
102.02739	0.8
111.00880	0.7
113.02462	41.1
114.02789	1.1
114.06986	0.6
119.03522	9.2
124.03296	0.7
124.04050	3.5
125.02462	4.5
129.01932	1.5
131.03520	4.3
143.03516	6.7
149.04582	3.1
159.03015	9.4
161.04572	77.4
162.04927	2.3
168.06700	1.1
179.05647	1.7
183.13963	3.6
191.05605	1.2
193.12424	1.0
196.06183	4.0
205.03587	0.8
211.13411	67.6
212.13770	3.6
219.13928	0.8
250.84734	0.7
253.09291	7.4
297.58188	0.6
315.18152	56.1
316.18518	5.8
341.10211	0.8
347.17163	5.9
447.22342	10.6
448.22772	1.4
471.61212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2393
Annotation	Ugaferin
Peak:m/z	Relative Intensity
57.03442	0.5
59.01394	0.6
64.18536	0.4
66.01798	0.5
69.81358	1.7
78.95909	1.6
85.63047	0.5
93.03438	0.6
117.03471	16.3
119.05035	49.5
120.05374	1.5
120.76328	0.4
130.41020	0.4
133.02959	4.2
134.03743	1.4
135.04543	5.7
145.02965	100.0
146.03282	4.3
152.99571	2.5
161.02451	21.3
162.02802	1.0
163.04024	37.6
164.04353	1.7
179.03523	1.9
211.13560	0.5
219.26802	0.5
221.19119	7.7
222.19307	0.5
224.62187	0.4
265.18112	5.9
283.19177	9.6
284.19604	0.7
285.04022	0.6
285.20810	1.7
301.20218	20.3
302.20587	1.6
424.03967	0.5
429.22849	1.6
447.23880	56.9
448.24313	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.239
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.22255	1.4
61.98828	3.4
66.85280	1.7
71.45483	1.6
78.95905	8.6
88.92471	1.3
90.28286	1.5
114.52087	1.3
116.57258	1.3
116.62289	1.6
117.03481	15.9
119.05034	52.0
119.55861	1.4
120.05375	1.5
135.04553	2.1
145.02963	100.0
146.03285	3.8
152.99620	12.2
161.02449	13.3
163.04027	34.1
193.48947	1.8
209.48250	1.4
221.19142	8.4
231.03499	1.5
256.43423	1.5
265.18134	5.7
283.19250	9.6
301.20227	22.7
302.20517	1.7
447.23950	51.8
448.24380	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	447.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
70.56500	1.5
70.56837	2.8
77.79247	1.2
106.28732	1.5
110.40307	1.3
117.03505	2.7
133.02971	21.8
134.03772	6.7
135.04539	31.4
137.02467	2.4
152.99564	2.2
161.02461	100.0
162.02774	2.7
179.03503	9.5
228.97690	1.4
285.20715	10.8
330.09528	1.6
429.22690	2.1
447.23969	52.2
448.24030	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	447.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
65.77261	0.4
66.28098	0.5
66.92281	0.5
70.06303	0.4
70.96612	0.6
74.00687	0.4
75.70433	0.4
78.58031	0.4
78.95912	0.9
85.68590	0.5
96.96011	0.5
98.73706	0.5
107.05055	0.9
116.02693	0.4
116.68260	0.4
117.03500	0.9
121.02921	0.4
133.02969	22.2
134.03783	7.3
135.04536	30.7
136.04866	1.3
136.70737	0.4
137.02426	2.2
139.03937	0.6
152.99597	1.2
154.00737	0.5
161.02454	100.0
162.02788	3.7
178.02734	0.8
179.03511	9.9
251.95474	0.4
267.19666	0.8
285.20718	10.9
286.21124	1.6
429.22766	2.3
447.23895	52.8
448.24316	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
64.03996	0.3
65.57336	0.4
69.14924	1.3
69.15327	1.0
78.95898	5.2
79.14561	0.4
79.18288	0.4
92.70109	0.3
110.98537	3.7
118.73981	0.4
151.07916	0.4
167.01147	1.6
185.02220	3.1
185.03575	0.5
195.11270	0.4
261.22125	0.4
279.23303	100.0
280.23618	5.7
312.87207	0.4
346.76776	0.4
447.25165	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	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61648	0.3
59.01377	0.7
63.25564	0.3
63.82516	0.3
69.08880	2.2
70.11016	0.3
78.95905	4.4
90.22038	0.3
91.46328	0.3
98.01054	0.3
110.98518	3.6
118.97604	0.3
120.05178	0.3
127.07502	0.3
138.54512	0.3
152.99600	0.4
167.01180	1.6
173.49829	0.3
185.02226	3.7
219.19109	0.3
261.22229	0.7
279.23306	100.0
280.23660	9.2
422.84848	0.3
447.25162	5.8
448.25385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65674	0.4
59.01382	0.7
66.92581	0.4
70.89063	0.7
71.02553	0.4
71.06924	0.4
78.95911	8.5
110.98534	6.8
127.64487	0.5
158.70662	0.5
164.37404	0.5
167.01161	4.3
185.02249	2.6
245.09570	0.5
278.07648	0.5
279.23312	100.0
280.23639	10.2
334.94711	0.5
398.13754	0.5
447.25226	6.4
448.25616	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91830	0.4
78.95907	6.7
80.97874	0.4
98.22634	0.3
110.98552	5.2
167.01176	2.9
178.69374	0.3
185.02203	4.2
279.23309	100.0
280.23639	7.8
294.40427	0.4
447.25208	5.6
448.25269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00315	0.3
59.01370	0.6
64.33543	0.4
65.67892	0.4
68.76244	0.3
69.39891	1.0
69.40287	0.7
73.99855	0.4
78.95915	5.9
81.98383	0.4
92.06526	0.4
93.05487	0.4
98.21902	0.7
110.98551	4.5
124.34690	0.4
128.46176	0.4
163.50423	0.4
167.01138	1.5
173.74063	0.3
185.02225	4.1
247.68439	0.5
276.73694	0.4
279.23315	100.0
280.23657	8.1
315.23135	0.4
349.01306	0.4
447.25235	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	448.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20543	1.0
54.60112	1.1
55.81036	1.0
59.01374	4.2
67.34204	1.0
70.30411	1.2
83.05001	1.4
98.02485	5.1
98.22675	3.3
107.05051	2.8
113.06074	2.1
126.05650	2.1
131.05025	3.5
147.04518	2.3
147.79008	1.0
155.35347	1.1
155.83095	1.1
163.02242	6.5
164.63002	1.3
169.10208	7.8
170.04596	23.6
171.04881	1.7
171.44623	1.0
182.73543	1.2
183.08095	2.3
187.11284	4.2
188.04794	2.9
197.08076	2.0
197.09737	22.0
198.10042	1.5
210.06903	4.5
213.09305	1.5
215.10794	8.2
216.11089	1.2
225.09224	100.0
226.09543	7.1
243.10268	66.5
244.10588	5.6
277.09045	35.7
277.34723	1.2
278.09354	4.3
441.20300	1.1
448.14487	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	448.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06210	0.5
55.01240	0.6
58.66467	0.7
59.01383	27.8
69.03472	0.7
69.36767	2.3
71.01389	6.3
72.08952	0.6
73.02956	15.3
81.03463	2.6
81.16792	0.5
83.01405	3.9
83.05030	1.7
83.31748	0.7
85.02958	1.8
89.02453	1.7
92.87978	0.6
93.03463	2.5
96.04565	2.3
97.02995	0.6
97.06583	1.2
98.06106	1.5
98.21849	1.3
101.02452	8.9
107.05042	33.2
109.02962	9.2
113.02453	2.8
115.02277	0.9
120.01333	0.6
120.05827	1.7
125.02467	0.6
126.05609	16.0
127.05943	0.7
131.03542	1.0
133.06593	6.2
135.04491	1.0
135.08179	11.0
143.01770	0.7
149.06142	1.3
159.08160	0.8
159.28645	0.6
161.04770	0.9
161.06091	25.9
163.07617	0.7
170.04619	2.6
175.04102	0.7
183.11812	1.9
185.09731	2.3
189.05608	8.7
197.09703	3.8
199.11259	2.2
201.12936	0.7
204.01463	1.1
204.03371	19.3
209.09755	8.1
211.07713	5.1
212.08423	4.0
215.10768	1.1
217.12344	19.0
225.09222	2.6
227.10788	100.0
231.10236	2.3
243.10284	7.4
245.11841	41.3
282.52753	0.6
448.14679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	59.7
62.03136	4.3
69.76110	9.4
71.01385	35.5
71.36337	4.6
85.02949	8.2
88.00835	4.3
89.02459	48.0
90.66278	4.6
99.00889	15.2
101.02450	19.9
111.23672	5.0
113.02445	20.6
119.03495	18.6
119.05037	6.6
121.02968	14.1
123.04610	5.6
135.20142	4.4
137.06104	4.8
139.04039	13.3
161.02502	23.0
161.04549	18.2
165.05586	62.6
179.05640	40.6
179.07057	8.6
182.96048	5.0
183.06627	23.1
207.06616	7.8
271.84634	4.3
345.12106	24.5
362.27011	4.6
385.11273	21.3
457.35721	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01385	100.0
60.01716	3.2
61.01819	0.3
61.98837	45.5
69.50412	1.2
71.01385	3.6
73.02962	0.8
81.02444	0.3
83.01415	0.4
85.02953	1.4
87.00887	0.4
89.02458	2.7
99.00891	0.6
101.02448	3.5
112.89610	0.4
113.02460	1.8
119.03483	1.0
121.02930	0.3
121.06617	0.4
123.08163	0.5
124.08446	0.4
129.01945	0.4
133.02982	1.6
135.04506	2.6
149.04475	0.4
149.05994	0.4
159.03012	0.5
161.02480	2.0
161.04543	1.5
162.04855	0.4
163.11230	0.5
164.11600	0.3
165.05499	0.4
167.07120	2.1
179.03485	2.5
179.05576	1.1
189.12769	0.5
190.13219	0.4
207.13841	0.7
208.14172	1.0
232.28143	0.3
326.77118	0.4
333.15317	1.0
392.12155	3.1
392.62039	1.0
449.20407	0.4
464.74280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98842	7.3
69.27879	26.1
73.02940	8.9
77.66220	6.2
78.82938	6.3
81.49894	4.7
97.02957	17.7
98.45179	4.5
99.00903	37.1
165.58548	4.6
182.86211	5.2
188.03531	5.9
231.13815	7.9
235.13321	8.3
243.06570	6.6
243.13934	10.6
246.18625	5.7
247.13422	5.9
249.14983	23.1
285.15057	8.0
303.16223	11.4
327.16046	19.1
343.19196	6.9
345.17023	27.5
345.96674	5.5
363.18085	28.3
369.17032	10.2
387.18069	39.3
388.18213	5.0
401.41782	5.6
405.19217	38.1
408.20242	5.7
444.57901	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	448.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93117	0.5
58.02971	0.5
59.01373	2.4
66.03474	0.6
68.05050	1.4
70.23570	0.5
71.01369	0.7
71.05031	1.2
71.09157	0.8
82.02981	1.5
84.04588	1.0
85.02951	2.3
94.02991	4.8
95.03776	2.2
95.05043	0.5
96.04560	56.4
97.04910	1.7
97.06559	0.6
102.05617	3.9
108.04576	1.7
109.02882	0.7
109.06613	1.8
120.04539	0.6
122.06176	0.7
131.48444	0.5
136.04013	0.6
138.09270	2.4
148.07735	4.1
149.09721	0.9
150.06873	1.4
151.11351	1.3
162.05612	1.7
163.06442	0.7
163.07675	0.7
164.07182	29.4
165.07614	1.2
165.09256	2.4
166.08714	2.3
168.85757	0.5
176.07190	1.0
178.08746	1.9
178.10146	0.6
182.08243	100.0
183.08594	4.0
191.05705	1.0
207.13947	1.6
210.09225	0.6
222.07567	0.6
228.10307	6.1
231.10208	0.8
233.11699	0.5
234.11322	5.5
246.12666	1.0
248.14185	4.7
252.12378	1.9
262.11020	0.9
264.12329	0.6
324.39749	0.5
326.17697	4.0
382.16769	1.1
400.17728	1.8
412.21436	2.0
415.20044	9.0
416.20496	1.1
430.22348	9.8
431.22812	1.5
448.23438	8.1
449.23984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76733	0.5
57.03460	0.5
59.01383	4.5
64.02947	0.6
66.03493	0.7
68.05036	0.7
69.03448	0.5
69.49845	1.1
69.50208	2.0
71.01392	1.5
71.05033	1.1
73.02949	0.8
82.02978	2.7
83.05038	0.6
85.02977	3.7
93.03490	0.8
94.02991	6.2
95.03791	2.7
95.05028	0.6
96.04563	56.5
97.04892	0.6
97.06554	0.8
98.21901	0.6
101.02454	1.1
102.05623	3.2
108.04579	1.7
109.02961	0.6
109.06593	2.6
110.06105	1.1
111.04557	1.5
113.02460	0.6
115.00391	1.2
122.06135	0.7
135.04546	1.3
135.66061	0.5
136.04065	1.1
136.07625	0.6
138.09264	3.1
148.07681	4.8
149.09709	0.7
150.06879	1.6
151.11273	0.8
153.05586	0.9
161.02493	1.7
162.02763	0.7
162.05653	1.7
164.07184	30.8
165.07509	1.5
165.09216	4.0
166.08791	3.2
168.06699	1.6
176.07187	0.7
178.08737	2.4
178.10117	0.9
179.03474	0.9
179.10893	0.8
182.08237	100.0
183.08586	4.1
185.09671	0.5
197.04562	1.5
198.04878	0.8
201.05342	0.7
207.13962	1.9
213.14925	0.6
227.12910	1.5
228.10352	5.9
231.10402	0.8
234.11348	5.4
242.12135	0.7
246.12697	1.3
247.13570	0.7
248.14278	4.7
252.12463	1.6
255.11417	2.1
256.11707	4.0
257.12665	0.7
262.11011	0.8
264.12402	0.9
314.14383	0.6
326.17621	4.5
333.13580	0.8
346.16653	0.6
354.88586	0.6
371.13651	0.8
400.17224	1.1
412.21304	2.6
415.20062	7.7
416.20355	0.9
430.22363	9.0
431.22491	1.1
448.23465	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	448.2345
Annotation	Caerunine
Peak:m/z	Relative Intensity
51.22072	1.4
59.01385	10.0
61.98817	2.6
67.01891	11.5
69.59561	3.8
69.59962	3.5
70.43274	1.5
71.05006	5.1
81.18261	1.5
82.02982	4.0
82.05144	1.5
83.05061	2.0
85.06588	3.8
93.03484	2.0
94.02995	2.1
95.05040	23.4
97.06588	23.5
99.04538	2.9
106.12894	1.4
108.04573	1.7
109.06612	2.7
109.35526	1.6
123.08158	3.7
127.87059	2.9
135.04564	2.3
135.08177	1.9
136.05296	4.4
136.07698	8.6
137.09731	3.0
139.04028	5.2
145.02928	2.5
149.09695	2.4
149.29582	1.3
150.06880	2.5
151.07677	29.3
151.11264	2.2
153.04288	1.9
162.12889	2.1
163.07678	17.3
165.09224	11.5
168.06673	13.8
178.12427	1.9
179.10739	1.9
180.13971	3.1
205.08749	5.1
207.13847	5.5
219.10266	2.8
231.10368	1.7
231.13904	5.0
234.12675	3.6
234.14929	2.1
244.13496	5.7
249.14996	8.9
261.15012	9.4
282.36581	1.5
288.16238	2.7
299.12961	2.0
300.13599	5.3
308.16574	4.0
313.18106	6.2
314.15256	2.8
324.19675	3.3
329.17654	11.8
342.20752	9.7
360.21713	2.7
368.22369	1.9
371.20667	1.6
404.20798	4.5
430.22491	6.2
448.23434	100.0
449.23953	13.0
450.69653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	0.6
54.03495	0.4
59.01379	2.8
61.98853	0.3
66.91812	0.4
69.03476	0.4
71.01383	1.4
71.05016	1.3
72.99324	0.4
73.02949	0.9
81.02209	1.9
82.02990	73.5
83.03333	0.9
83.05025	0.8
85.02956	3.7
87.00896	0.4
89.02479	0.4
93.03451	0.8
94.02991	42.6
95.03351	0.8
95.05045	4.6
96.05406	0.3
97.06578	3.8
98.02499	1.1
98.22684	0.9
98.83570	0.3
99.00886	0.8
101.02433	0.6
109.06586	1.0
110.06116	0.8
113.02474	0.7
115.00397	0.5
116.92839	0.4
122.03712	0.9
123.08194	0.6
124.04051	6.3
124.07689	1.9
135.04567	0.7
136.05327	0.4
139.00342	0.4
149.09727	0.9
150.05643	9.6
150.06880	1.1
151.05864	0.4
151.07666	7.4
151.11313	0.6
152.01154	0.4
152.07172	0.4
165.09198	2.0
168.06674	100.0
169.07004	4.4
169.12357	0.6
176.08521	0.5
177.09290	0.9
178.06415	0.5
178.10062	0.4
180.06673	49.7
181.07030	2.8
187.07629	0.6
187.13496	0.5
191.10843	0.9
193.08746	1.1
193.12407	0.3
196.06169	8.8
196.09860	0.8
197.06384	0.4
201.09256	0.4
202.09988	0.8
203.14380	0.3
207.13881	0.9
211.13368	0.5
212.13779	0.9
215.10754	2.3
216.11469	0.9
219.10272	9.5
220.11014	2.5
231.13921	12.0
232.14275	0.7
233.11815	1.3
234.12621	7.9
235.13014	0.4
244.06920	0.5
249.12321	0.9
249.14963	18.5
250.15341	1.6
261.14954	4.9
262.15244	0.6
271.06186	1.1
272.06485	2.0
294.17239	0.4
333.19263	3.0
344.79901	0.4
347.17310	0.4
348.17529	1.6
360.71976	0.4
430.22501	4.8
431.22534	0.6
448.23441	12.2
449.23743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03451	0.4
59.01379	6.4
61.98820	1.3
63.02395	1.8
65.00329	11.8
69.03060	1.7
69.03463	0.9
71.01389	1.4
83.01388	4.7
85.02949	0.9
89.02434	1.2
93.03451	0.5
101.02448	0.5
107.01402	18.1
108.01728	0.5
109.02987	2.0
113.02460	0.4
115.00330	0.5
119.03533	0.7
122.06148	1.9
125.02467	4.6
131.03459	0.5
133.03026	0.5
134.03754	0.9
135.04536	71.4
136.04837	2.8
136.07704	1.1
151.00380	100.0
152.00725	3.4
161.02448	1.3
165.01952	0.8
169.01399	1.1
177.02057	0.6
179.03378	0.4
185.11809	1.0
192.74059	0.4
228.43175	0.4
257.12958	2.9
269.04599	0.6
287.05634	82.7
288.05914	6.3
301.12067	0.5
347.17206	1.1
374.36545	0.4
389.21741	0.7
449.10950	11.2
449.20074	0.5
450.11108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1502
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.13420	1.6
59.01379	13.1
62.96413	33.3
65.57496	1.5
78.95911	76.4
80.97476	43.6
92.33852	1.7
111.97823	1.5
149.00085	17.8
179.01094	1.8
205.16034	11.0
216.58739	1.7
242.98242	7.0
257.93326	1.8
355.16830	22.7
356.16818	1.9
385.17841	26.0
386.18341	3.6
449.15045	100.0
450.15289	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	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	0.9
61.98832	1.3
64.75793	0.7
69.03468	3.1
69.69491	2.9
71.01385	9.1
73.02948	1.8
73.82998	0.7
79.77064	0.8
80.91685	7.8
81.03463	1.5
83.01433	0.9
85.02951	4.6
89.02465	3.1
91.38363	0.7
97.02977	2.9
98.99401	1.0
101.00999	1.2
101.02453	4.8
113.02489	2.7
117.00492	2.0
119.03572	0.8
121.06583	0.8
123.04526	4.4
125.00947	0.8
133.40347	0.7
135.04561	0.9
141.00443	5.0
141.05617	0.8
141.84918	0.8
146.90999	0.7
149.06108	3.5
151.76198	0.8
155.02007	1.4
161.02557	0.9
161.04559	5.2
167.07133	11.1
168.99957	0.7
179.03563	1.5
179.05537	1.2
181.08842	0.9
183.01556	1.9
209.08235	0.9
221.06818	1.0
227.09381	1.1
235.11891	4.1
292.72076	0.7
317.10855	8.2
329.12405	6.6
347.13556	3.1
367.16470	1.4
389.14502	4.3
449.15176	12.8
449.20117	0.9
450.15561	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98938	0.4
59.01387	100.0
60.01725	1.4
61.98841	1.1
63.03193	0.4
69.79282	0.4
71.01374	2.4
73.02968	0.5
79.27309	0.4
83.05039	0.6
85.02974	2.8
89.02468	2.0
90.91597	0.3
91.19588	0.4
98.22682	1.4
101.02467	1.6
106.68047	0.4
113.02489	1.4
119.03519	0.8
123.04620	0.5
133.03043	0.5
135.04550	2.7
145.06271	0.5
146.04620	0.7
149.06146	0.5
150.05641	1.0
151.05923	0.5
161.02492	1.2
161.04657	1.6
164.03635	0.4
166.36801	0.5
167.07104	3.3
179.03574	3.0
179.05562	0.4
199.07478	0.4
269.14008	0.5
426.64465	0.7
449.20593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16812	0.4
55.58539	0.4
57.03452	5.3
59.01381	0.8
71.01095	0.5
73.02954	0.9
73.25758	0.4
83.01399	0.8
88.37221	0.4
101.02452	100.0
102.02798	2.6
102.05586	0.7
114.19738	0.4
121.48510	0.4
128.42401	0.4
135.04407	0.4
153.86116	0.4
168.43874	0.4
293.98434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98938	0.4
59.01387	100.0
60.01725	1.4
61.98841	1.1
63.03193	0.4
69.79282	0.4
71.01374	2.4
73.02968	0.5
79.27309	0.4
83.05039	0.6
85.02974	2.8
89.02468	2.0
90.91597	0.3
91.19588	0.4
98.22682	1.4
101.02467	1.6
106.68047	0.4
113.02489	1.4
119.03519	0.8
123.04620	0.5
133.03043	0.5
135.04550	2.7
145.06271	0.5
146.04620	0.7
149.06146	0.5
150.05641	1.0
151.05923	0.5
161.02492	1.2
161.04657	1.6
164.03635	0.4
166.36801	0.5
167.07104	3.3
179.03574	3.0
179.05562	0.4
199.07478	0.4
269.14008	0.5
426.64465	0.7
449.20593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.7
59.01383	4.3
69.34361	4.0
73.02928	0.8
83.01394	1.6
85.02925	0.8
86.31573	0.7
96.96021	0.8
101.02450	100.0
101.06084	1.9
102.02760	1.8
102.05618	2.2
109.05477	0.7
111.42274	0.7
120.99675	3.6
128.07750	0.8
138.64108	0.8
204.62544	0.9
286.43042	0.8
296.99838	0.8
303.06818	1.2
387.85657	0.8
389.10287	1.3
449.12674	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	449.1821
Annotation	Oligandriortholactone
Peak:m/z	Relative Intensity
59.01382	21.5
59.62855	0.6
70.48098	1.4
71.01387	5.5
73.02953	16.1
81.03440	1.6
81.14915	0.7
83.01389	3.4
85.02966	1.6
89.02439	1.1
93.03468	2.2
98.21952	0.9
101.02454	7.5
102.86438	0.7
107.05040	32.5
109.02956	9.2
111.04485	0.7
113.02450	2.5
120.05795	1.6
126.05615	3.9
131.03528	1.4
133.06599	5.4
135.08177	11.0
142.66031	0.9
161.04883	0.8
161.06091	24.2
170.04623	3.5
185.09758	3.3
189.05565	7.7
197.09726	2.7
199.11314	1.4
201.12772	1.1
204.03366	5.9
209.09753	7.2
211.07648	4.0
212.08377	3.6
217.12354	17.6
218.12663	1.0
225.09317	0.7
227.10789	100.0
228.11124	5.2
244.07387	2.7
245.11847	37.3
246.12099	2.3
298.53671	0.7
371.65320	0.7
449.14746	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	449.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73814	0.5
57.03458	0.5
59.01382	17.8
71.01389	5.2
71.76273	0.5
73.02949	11.8
81.03473	1.8
83.01381	2.6
85.02937	1.9
89.02435	1.7
93.03453	2.9
95.01363	0.6
96.43344	0.5
97.06631	0.6
97.10606	0.5
100.42758	0.5
101.02435	6.5
107.05035	32.2
108.05378	0.7
109.02966	9.9
111.04507	0.7
113.02486	3.3
120.05801	1.6
133.06609	5.2
135.08174	10.2
145.06644	0.6
161.04767	0.9
161.06088	24.6
162.06444	1.3
163.07600	0.9
178.15355	0.5
183.11755	1.6
185.09740	1.8
189.05576	6.8
197.09746	2.7
199.11349	1.0
209.09724	8.2
211.07669	4.1
212.08432	3.8
217.12335	15.3
218.12694	0.9
225.09251	0.6
227.10788	100.0
228.11082	5.1
228.81375	0.6
244.10538	0.6
245.11841	37.1
246.12059	2.5
252.31097	0.6
367.16370	0.6
442.94928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38561	3.9
59.01382	100.0
60.88681	4.5
61.98823	4.5
71.01399	9.6
73.02985	4.3
75.29021	3.8
79.85526	3.9
85.02967	19.5
87.00952	4.0
93.94542	4.6
98.21783	6.6
101.02510	7.2
113.02460	6.6
115.99495	4.2
161.02475	6.4
161.06113	4.6
166.48244	4.0
177.55478	4.1
201.09225	5.1
204.03238	5.3
227.10690	4.9
228.94647	4.9
240.35928	3.9
245.08249	7.9
245.12111	4.4
278.29391	4.6
345.22473	4.8
378.16116	4.3
396.89056	4.2
410.07788	4.6
413.21768	6.5
439.03400	4.3
449.19107	8.9
449.62732	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	449.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04335	3.4
53.94480	3.7
56.86629	3.5
59.01384	100.0
71.01385	13.1
73.02946	12.7
79.74704	3.6
83.01418	6.0
85.02971	8.8
93.03474	3.6
96.96048	5.1
101.02470	8.0
107.05048	20.0
109.02961	5.9
113.02483	4.5
126.05611	12.3
133.06566	3.6
135.04532	3.6
135.08157	4.6
137.02475	5.0
161.04861	3.9
161.06059	19.0
163.03973	3.9
164.17003	4.1
170.04536	4.3
186.14449	3.4
189.05586	4.4
191.03561	12.5
204.03314	23.9
217.12262	8.6
227.10780	57.3
241.15889	3.7
245.08145	4.4
245.11813	21.8
387.22192	4.5
410.59567	3.9
449.01257	4.1
449.17773	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79649	0.7
55.01862	0.9
57.03456	2.1
59.01387	100.0
61.45075	0.7
69.25161	4.1
71.01389	19.4
72.40588	0.7
72.99320	1.0
73.02975	0.9
74.50690	0.8
83.01405	1.1
83.05018	0.7
85.02976	4.8
87.00874	0.9
89.02456	18.1
90.89082	0.8
95.01404	1.7
99.04532	8.1
101.02455	8.8
109.06629	1.2
113.02468	6.7
113.37127	0.8
119.03519	5.9
119.54201	0.8
135.04507	0.8
143.03568	0.9
161.02483	1.1
161.04553	1.1
165.01955	1.3
165.12834	3.6
179.03461	0.8
179.05696	1.7
189.12866	1.3
195.06660	0.9
207.13928	7.6
209.11842	23.4
210.12253	1.5
225.14944	10.8
226.15253	1.3
251.12921	5.5
269.13962	85.7
270.14258	6.3
287.14847	1.7
449.20245	66.0
450.14523	1.4
450.20410	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	449.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
72.33691	3.7
74.91060	3.3
77.17096	4.0
96.86999	4.2
125.87354	18.0
139.86462	4.2
160.84230	65.7
175.73788	4.1
187.57213	4.2
205.37416	4.6
208.95518	23.3
244.93184	31.8
281.24805	3.8
347.18436	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	449.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35286	5.0
59.01385	100.0
61.13935	6.1
69.01920	6.2
78.95904	64.8
96.96922	6.1
101.46317	4.9
116.92884	10.8
116.97252	9.4
133.02882	11.3
135.04510	8.0
152.99606	74.7
161.02448	49.4
222.61491	6.0
329.17554	8.8
330.63437	6.1
345.95908	5.4
449.24551	23.3
450.25644	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	449.2549
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.61134	1.3
59.01380	5.0
60.69300	1.6
63.59405	1.3
66.92868	1.5
69.06335	1.2
78.95916	4.9
81.90378	1.3
87.85603	1.6
130.03505	1.4
133.02986	20.4
134.03853	7.0
134.48409	1.3
135.04539	30.6
143.75708	1.5
144.87369	2.2
152.99599	10.0
161.02463	100.0
162.02795	3.2
179.03539	10.7
287.22360	9.4
288.22751	1.7
399.46207	1.4
431.24521	2.3
449.25516	64.9
450.26080	6.7
457.61755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.2
69.72675	0.5
78.95911	8.4
83.05038	0.3
90.32376	0.2
94.77467	0.2
96.68000	0.2
110.98536	6.4
111.52789	0.2
112.67377	0.2
137.00139	0.3
138.01788	0.2
140.20200	0.2
152.99640	0.2
167.01160	8.8
185.02219	3.1
192.13045	0.2
260.07108	0.2
263.23666	0.2
281.24875	100.0
282.25217	9.0
449.26770	15.1
450.27002	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	449.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42501	0.5
69.42902	1.0
78.95911	5.4
110.98540	4.4
140.89859	0.3
152.99602	0.4
156.12427	0.3
167.01167	4.3
167.44540	0.3
185.02180	3.3
242.59061	0.3
281.24872	100.0
282.25211	9.0
449.26736	8.3
449.32816	0.6
450.27103	1.7
451.58755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	16.0
83.05028	0.4
88.22121	0.2
89.12303	0.2
90.09627	0.2
94.99011	0.3
104.97483	0.8
110.98540	10.9
137.00116	0.5
139.12944	0.2
152.99536	0.4
167.01160	10.0
185.02228	3.3
202.85799	0.3
221.30254	0.2
263.23904	0.5
276.36505	0.2
281.24881	100.0
282.25229	9.4
309.87222	0.2
374.07901	0.3
449.26764	11.8
450.27100	1.4
466.68948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.90240	0.7
59.01388	4.8
69.23873	4.2
70.02963	2.4
71.01386	0.8
71.05025	3.1
73.02970	0.9
78.57855	0.8
80.55767	0.7
81.03455	1.2
82.03003	1.7
83.01400	1.9
83.05030	2.8
93.03475	1.5
96.04557	11.1
98.02486	7.4
98.06139	5.0
98.21927	1.7
101.02461	1.7
107.05044	18.5
108.04590	1.0
108.05370	1.7
109.02953	5.9
120.01250	2.1
120.05760	1.1
121.06612	1.1
126.05625	94.9
127.05939	2.1
133.06618	2.4
135.08192	5.8
156.96713	0.8
161.06093	11.6
162.06354	0.7
170.04599	18.8
183.11800	0.9
185.09726	0.9
197.09731	1.8
204.03368	100.0
205.03674	3.2
209.09737	5.9
211.07692	2.6
212.08398	2.7
217.12364	5.8
227.10796	33.1
228.11073	5.7
233.11810	1.8
245.11823	9.9
246.12189	1.2
450.15335	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	450.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.6
61.98835	100.0
69.45081	2.3
69.45472	3.2
71.01386	5.1
78.84680	1.7
79.44501	1.3
80.30997	1.3
85.02959	2.1
86.54654	1.3
89.02465	4.7
101.02470	3.0
163.11346	1.7
179.94963	1.7
207.10243	2.3
298.49902	1.6
346.77975	1.7
387.11887	2.8
387.16629	40.9
388.16919	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32048	1.2
57.82865	1.1
59.01385	100.0
60.01719	12.7
61.01804	1.9
61.04893	1.1
61.98837	94.2
67.55903	1.2
69.56318	3.7
71.01388	7.5
73.02977	1.5
75.00862	2.0
83.01363	1.9
85.02953	3.9
85.36378	1.2
87.00922	1.4
89.02438	5.3
90.17323	1.2
93.03460	2.2
99.00874	2.2
101.02439	3.7
119.03535	2.7
119.05042	9.4
120.05386	1.7
131.03477	2.6
135.04533	16.8
137.02412	1.7
149.04541	1.3
161.02467	3.7
167.07166	2.0
168.07552	1.9
171.10150	1.5
179.03511	19.7
180.03859	2.4
191.05585	1.4
218.29234	1.3
325.27557	1.4
333.15515	3.4
334.15976	14.5
384.12411	2.2
450.14685	5.7
450.64761	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01383	41.9
60.01722	3.9
61.01809	4.5
61.98833	100.0
64.82258	1.0
69.95905	1.0
71.01379	6.4
71.39664	1.7
72.99303	1.2
73.02950	2.2
78.90118	1.2
85.02959	6.9
89.02462	4.6
98.02477	2.2
100.56062	1.1
101.02456	4.4
113.02471	2.3
119.03550	1.3
119.05055	1.9
124.08314	1.0
125.02418	2.7
126.02827	1.1
135.04578	1.5
145.02951	9.3
161.04530	2.1
191.02042	1.6
227.03529	5.2
255.03079	6.0
259.06058	2.4
260.06580	2.2
269.04361	1.5
270.04868	2.1
284.03217	5.1
285.03879	1.4
288.05942	1.2
289.07013	1.4
291.08777	4.2
335.12497	1.4
347.17209	1.3
369.09042	15.1
369.59366	6.6
370.09503	2.3
387.16678	3.0
450.93384	1.3
451.22232	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	450.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41886	3.0
54.49078	2.5
59.01384	100.0
60.01723	10.0
69.66368	10.6
69.66731	3.5
79.32355	2.9
99.04550	3.2
133.19946	3.0
249.14984	3.7
261.15118	4.4
285.15027	3.7
301.18100	4.0
329.17596	6.9
347.18616	24.0
389.19656	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	450.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
58.02991	1.8
59.01386	61.8
60.01704	3.5
60.99290	4.2
71.01387	16.0
71.05017	2.9
72.01720	1.6
72.99313	1.6
73.02962	3.2
74.02496	8.6
82.02966	2.4
83.01401	2.2
83.05053	2.0
84.04539	2.0
85.02536	1.4
85.02959	9.8
86.02492	5.5
88.89362	1.4
89.02447	9.7
94.06657	1.6
96.04581	2.7
97.06595	6.3
99.04525	3.4
101.02467	6.9
104.03540	11.4
108.04560	8.0
109.06596	7.4
110.06147	3.6
111.04546	1.9
113.02462	4.8
119.03540	3.5
122.02585	1.8
122.06120	22.2
123.08176	4.4
124.07675	2.3
127.90181	1.5
128.03546	14.7
133.01425	1.7
133.02957	2.0
135.04562	2.1
136.07639	3.8
137.02446	2.2
137.09734	2.5
140.03546	2.5
140.07179	2.6
143.04596	15.0
146.04681	1.7
148.07608	2.4
149.09766	3.0
150.06882	6.6
151.07541	2.1
151.11298	3.5
153.05502	1.7
154.05104	10.0
155.69931	1.6
161.02501	2.0
162.09370	1.7
163.07645	1.7
164.08366	2.6
165.08017	2.4
165.09209	12.0
166.09764	1.5
167.04631	2.0
170.04646	6.5
173.11852	3.5
179.04678	2.1
179.10799	3.6
182.37607	1.6
184.06157	14.2
190.08752	3.0
192.10350	6.5
202.08795	2.2
206.08255	2.0
207.13940	11.5
208.14191	2.9
209.11916	5.7
210.08931	2.9
210.12187	7.1
214.86034	1.4
224.09438	3.0
225.14995	2.0
226.15332	3.0
233.11880	2.4
246.12482	4.3
249.55165	1.5
253.49782	2.0
254.07851	9.6
261.15012	9.9
262.15366	1.9
268.14673	2.1
269.13974	11.2
270.14319	23.7
271.00327	1.5
271.13605	2.3
272.08902	12.4
272.13083	2.6
304.05942	3.0
326.06134	2.1
330.16678	2.9
335.17041	11.1
340.15393	2.0
341.08850	3.5
341.16388	5.1
348.17700	2.7
352.19037	2.0
355.17868	4.0
356.18433	2.0
370.20209	8.4
373.19135	2.1
387.16806	5.4
388.21350	3.4
402.19159	4.6
417.18094	5.0
420.20230	2.1
432.20355	39.5
433.20770	4.1
450.21198	100.0
451.21210	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	450.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83103	0.5
59.01364	0.7
60.14933	0.5
61.98824	0.8
62.16639	0.6
64.88759	0.5
69.80976	0.7
69.81275	0.9
78.95915	19.6
83.90975	0.6
98.21973	1.1
98.22579	1.2
128.10696	0.6
140.01219	6.1
152.99608	1.4
166.91316	0.7
196.03810	10.6
214.04901	2.4
219.82782	0.6
225.63335	0.5
253.21744	100.0
254.22098	7.1
283.26471	0.6
450.26334	19.5
451.26651	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	451.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16078	0.8
53.13619	0.6
59.01380	1.7
61.74977	0.7
67.18407	0.6
71.24010	0.7
79.95738	2.9
85.02940	4.4
87.00877	1.5
93.03471	2.0
96.96020	100.0
98.95602	0.9
99.92590	1.7
100.93386	1.0
105.03425	0.7
115.92085	1.4
116.92852	3.7
121.03009	1.1
127.03981	1.2
133.02946	3.9
134.03755	2.6
135.04544	1.1
137.02481	0.8
142.96674	2.9
160.97708	1.2
161.02496	1.1
173.04567	0.8
173.58850	0.7
178.02773	1.7
182.99759	1.2
184.97675	10.0
191.05629	63.6
192.05991	2.9
202.98776	6.8
210.99261	2.0
216.98155	7.2
218.10265	0.9
231.96982	1.0
234.97116	1.1
234.99303	8.1
248.97336	1.8
258.99139	0.8
260.97153	1.3
277.00385	1.2
278.96201	1.2
286.98807	1.2
289.02438	13.1
304.99847	1.2
306.07373	1.3
353.08817	6.6
391.03378	4.7
409.04630	2.8
451.05664	20.5
451.12079	1.3
452.06116	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68420	0.7
59.01389	4.7
71.01380	1.8
73.02953	1.6
85.02949	4.4
89.02465	1.2
89.03915	0.7
95.05288	0.7
101.02458	1.2
106.09756	0.8
115.06817	0.7
118.98115	0.8
127.42628	0.8
148.05209	0.8
149.06059	2.6
158.03734	14.1
159.04539	6.3
161.02412	0.8
171.04559	1.9
176.04665	1.3
179.03432	0.9
191.01941	0.9
201.05588	2.8
202.02730	100.0
203.03284	8.6
213.05547	2.3
228.89343	1.0
231.06528	1.1
233.47484	0.8
245.04581	1.3
274.08472	1.3
275.05627	2.2
289.10767	0.9
365.08524	2.1
407.09824	48.0
408.10001	5.4
436.13983	6.1
451.16022	7.3
452.16727	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	451.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02429	1.5
59.01396	3.9
60.99306	4.8
69.04470	11.0
79.71001	1.5
87.00881	2.8
88.00414	2.6
88.04045	3.6
88.98809	19.6
89.02448	100.0
102.76777	1.7
148.90945	3.4
171.55785	1.8
191.05618	5.3
216.98154	2.2
224.63023	1.6
282.94678	1.6
401.48004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12586	2.5
78.95904	0.8
98.21874	1.1
99.00913	0.5
99.92580	5.9
100.93372	38.5
101.93393	2.2
115.92086	100.0
116.92091	5.3
116.92882	8.3
129.16090	0.5
130.42276	0.6
131.05711	0.5
142.94421	0.4
154.94377	0.5
155.95262	0.6
157.50749	0.5
172.95465	8.1
195.00682	0.7
255.23315	10.4
256.23642	0.8
276.35300	0.5
359.13235	0.5
377.14270	1.1
383.84528	0.5
396.64990	0.5
403.15936	0.6
432.98224	0.6
433.16977	1.9
434.17206	0.6
451.18002	3.4
451.24753	2.0
451.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.35377	0.4
60.01719	1.4
61.98834	0.7
70.68890	0.4
71.01391	2.0
72.99316	0.3
73.02938	0.4
85.02978	1.1
89.02446	1.6
93.15153	0.4
96.96050	1.1
101.02471	0.6
108.12080	0.3
111.23707	0.3
113.02499	0.9
113.73955	0.3
119.03543	0.6
133.03000	0.7
135.04578	1.4
161.02487	0.8
161.04625	0.5
169.08846	0.3
177.05679	0.4
179.03543	1.2
179.05592	0.3
190.10129	0.3
191.05724	0.4
226.06351	0.4
243.08813	0.6
245.08368	1.0
269.50891	0.4
391.16434	1.2
451.05673	0.5
451.21954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1976
Annotation	[3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3a,4,4a,5,6,7,7a,9a-octahydro-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01863	1.2
59.01382	75.5
60.01712	1.0
69.03439	1.7
70.06101	1.8
71.01389	29.2
73.02950	80.3
75.50068	0.8
83.01391	19.3
83.05008	2.1
85.02948	3.4
87.00880	1.0
89.02427	5.7
97.02985	1.1
98.06110	1.6
99.00874	1.2
101.02448	44.8
102.02733	1.1
107.05037	1.4
113.02464	8.1
119.03535	1.1
120.05909	1.0
121.06577	2.8
125.02419	2.3
126.05611	11.0
127.05966	2.1
127.07658	1.0
131.03516	2.7
133.06624	7.0
135.08183	3.1
137.01697	0.9
143.03543	1.6
147.04536	4.1
149.04543	1.8
155.03465	1.5
161.04553	6.5
161.06067	2.9
162.06851	1.4
170.04588	3.7
192.04193	0.8
199.11290	1.1
201.12854	20.7
202.13176	1.3
204.03363	13.1
205.03645	3.5
211.11162	1.0
217.12231	1.2
219.13881	7.7
227.10793	1.1
229.12338	100.0
230.12622	7.4
247.13437	6.2
251.81738	1.0
375.50113	1.0
391.17618	1.7
395.80789	1.0
409.18750	5.4
451.19675	14.8
452.20148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07856	0.2
55.01888	0.2
57.03448	0.4
59.01381	4.1
61.98834	1.1
63.85367	0.2
69.59158	0.4
69.59553	0.4
71.01391	2.5
73.02959	1.1
75.00887	0.3
79.81266	0.2
83.01403	0.6
85.02953	2.1
87.00882	0.2
89.03941	0.2
95.01431	0.2
95.05010	0.2
97.02960	0.2
99.00889	0.3
101.02462	1.5
105.03501	0.6
113.02460	0.7
117.03468	1.1
121.02974	0.3
123.04539	0.2
129.01913	0.3
132.02173	1.7
133.02972	35.0
134.03464	1.2
135.04544	8.4
136.04855	0.4
137.02489	0.4
159.03008	0.3
161.02460	100.0
162.02792	3.3
163.03957	0.2
177.04059	0.6
177.05539	0.2
179.03511	4.7
182.03787	0.2
230.12839	0.2
339.07181	0.6
348.18726	0.3
451.19763	59.0
452.20081	6.4
452.24854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1977
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
59.01384	100.0
60.01690	1.0
71.01395	8.4
73.02957	10.8
74.70329	0.9
80.07388	0.9
83.01398	2.0
85.03027	1.8
89.02443	3.4
101.02458	8.8
106.38293	0.9
107.05018	3.5
109.02966	1.7
111.00842	0.9
113.02455	3.6
113.60119	1.0
119.03468	1.8
139.07635	3.6
149.47717	0.9
161.02362	1.2
209.09604	1.0
231.45363	1.0
247.13528	1.9
415.05472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48079	0.7
50.59055	0.6
55.01897	2.0
57.02402	0.7
59.01385	100.0
60.01716	1.2
69.03477	1.5
69.21046	3.9
71.01388	25.5
73.02955	76.2
74.03310	1.2
81.03481	2.3
83.01396	15.8
85.02958	3.8
87.00882	0.8
87.77736	0.8
89.02458	5.9
93.03470	1.7
95.01383	0.8
99.04498	0.9
101.02453	36.0
107.05043	9.8
108.05395	1.5
108.91418	0.7
109.02962	45.7
110.03280	1.4
111.04520	0.9
111.08215	2.4
113.02457	8.3
119.03526	1.0
121.06625	1.1
125.02474	2.1
126.05647	3.7
127.05993	0.9
131.03534	3.0
135.08189	2.4
139.07651	5.8
149.04521	0.7
155.03561	1.0
161.04591	2.5
161.06082	1.5
162.06476	1.1
170.04631	2.7
171.05006	0.9
174.06839	0.9
180.39085	0.7
204.03410	3.1
205.03717	2.1
209.09802	0.9
217.12350	1.4
227.10738	4.2
228.11128	5.9
229.12306	5.1
245.11920	1.5
246.12270	1.1
247.13319	2.9
368.35587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2107
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
59.01382	100.0
69.62550	87.5
71.01380	29.7
73.02959	30.5
77.85467	19.8
78.66231	19.3
82.45348	19.0
85.02972	37.1
98.21820	25.5
111.00854	32.6
147.08257	23.6
169.04697	21.3
204.03410	29.1
245.99876	22.3
447.42700	22.8
451.20685	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.3
69.42671	20.2
69.43061	24.5
71.01402	13.3
73.54018	9.1
76.10335	8.5
85.02967	28.5
89.02466	14.7
98.44924	8.8
113.02462	12.9
114.73256	9.2
121.02961	14.2
123.04539	35.3
125.68555	10.1
131.40269	9.7
133.02966	44.6
135.04539	42.3
139.04045	14.4
149.02429	48.1
150.03226	37.1
160.04102	13.0
161.02458	100.0
179.03503	34.2
436.62894	14.3
451.20700	32.4
451.64142	47.0
452.14343	23.4
462.11411	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	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.0
57.03449	6.2
58.00617	0.6
59.01384	56.2
59.59850	0.4
60.01733	0.6
60.29611	0.4
69.03448	2.1
71.01386	100.0
71.05053	0.5
71.40315	0.4
72.01732	1.1
72.99326	1.8
73.02953	34.7
75.00885	1.1
78.13827	0.4
81.03468	1.2
83.01389	15.5
83.05027	0.5
84.02164	0.9
85.02957	44.3
86.03320	1.0
87.00889	5.3
89.02450	24.2
95.01386	8.0
97.02960	4.3
99.00890	12.2
101.02450	83.6
102.02792	1.8
102.73588	0.4
106.79990	0.4
111.00905	1.5
111.04558	0.7
113.02459	40.7
114.02814	0.6
115.04021	0.8
119.03510	9.0
125.02451	6.6
125.03318	0.5
127.11317	0.6
129.01962	1.4
131.03572	2.2
138.14397	0.4
139.94437	0.4
141.01874	0.5
143.03513	7.4
150.43834	0.4
159.03008	6.7
161.04570	45.5
162.05022	1.0
179.05634	3.7
221.06761	2.1
245.06624	1.0
255.16095	1.1
263.07764	2.0
289.16589	32.3
290.16879	2.0
323.09924	1.1
329.07941	0.4
341.64465	0.4
355.32031	0.5
451.21912	28.9
452.22314	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2339
Annotation	Argutin
Peak:m/z	Relative Intensity
51.10162	0.9
59.01384	100.0
60.01721	1.8
69.37352	2.1
69.37736	2.5
85.00458	1.5
104.19125	0.9
135.54233	1.1
260.90366	0.9
406.12241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2341
Annotation	Argutin
Peak:m/z	Relative Intensity
54.50708	1.2
59.01386	100.0
60.01688	1.2
70.73441	2.3
124.14757	1.2
131.23416	1.2
151.56462	1.1
209.19891	1.3
311.70572	1.2
350.10825	1.2
373.20145	6.2
382.04776	1.2
391.20938	3.2
466.25638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2341
Annotation	Argutin
Peak:m/z	Relative Intensity
59.01383	100.0
60.39149	0.8
61.01772	0.7
67.32394	0.8
70.48537	1.8
117.98299	0.8
214.98274	0.7
232.34138	1.0
319.15530	3.1
331.19260	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	451.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53743	0.9
59.01384	100.0
61.83586	0.9
61.98828	1.9
64.31726	0.9
71.02441	1.6
91.11917	1.0
132.40274	1.0
274.00717	1.0
319.02939	1.2
319.15515	3.5
331.19443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.5
57.03458	3.7
59.01384	100.0
60.01716	1.3
71.01389	61.9
71.39807	1.9
72.99313	1.8
73.02956	26.7
83.01390	6.1
85.02956	27.6
87.00883	4.0
87.04543	2.7
89.02455	39.3
95.01411	4.5
97.02964	1.6
99.00904	3.9
101.02454	36.3
102.00938	1.4
103.04028	2.9
113.02466	26.3
119.03516	16.9
124.22512	1.2
125.02470	1.5
129.01924	1.2
131.03436	1.4
135.04561	3.0
143.03537	3.5
147.11781	1.2
149.04568	1.9
159.03043	2.9
161.02493	4.7
161.04564	9.6
169.12465	2.1
170.38173	1.5
176.81276	1.3
179.03523	3.1
179.05591	8.2
238.45790	1.3
289.20221	27.3
290.20572	2.6
310.14279	2.9
331.17554	1.9
451.25610	99.8
452.15991	1.7
452.26294	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78188	0.4
57.99940	0.5
69.80676	1.0
69.81040	0.8
78.95910	9.7
82.36593	0.4
82.63402	0.4
87.37565	0.4
95.83202	0.4
98.22012	0.7
110.98544	8.7
125.94669	0.4
127.44090	0.4
152.99527	0.7
167.01164	10.1
185.02193	3.1
207.16550	0.5
220.24042	0.5
283.26443	100.0
284.26746	8.3
451.28305	14.1
452.06155	0.5
452.28723	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	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.4
59.01380	0.2
66.03497	0.1
66.58248	0.1
70.02972	0.1
71.01384	0.2
72.04553	0.1
80.05064	0.3
81.03463	9.6
82.03789	0.2
82.06638	0.7
83.05034	28.0
84.04563	0.1
84.05367	0.6
85.02932	0.2
85.96525	0.1
91.62282	0.1
96.04577	0.1
100.07684	0.4
107.06165	0.9
108.04568	1.2
108.06487	0.1
115.00346	0.1
125.07224	3.1
126.05619	0.7
133.01463	0.1
143.08284	1.7
153.20410	0.1
155.03586	0.1
157.13457	0.1
168.00664	0.1
175.92159	0.1
183.14992	0.1
207.15031	3.2
208.13370	0.2
208.15234	0.2
224.17690	4.7
225.16098	12.5
226.16399	0.8
242.18756	1.6
243.19188	0.1
250.15576	0.4
268.16748	0.2
290.22366	0.4
292.20334	0.1
306.22147	0.1
307.23904	0.3
309.21680	0.4
324.23199	0.1
324.26538	1.7
325.26736	0.3
333.22989	4.5
334.23618	0.4
339.27579	0.3
341.29309	0.1
351.24045	1.1
352.23627	0.1
367.27124	1.3
368.27499	0.2
385.28342	0.3
406.30786	0.1
433.31894	6.1
434.32248	0.7
451.32910	100.0
452.33231	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	452.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01075	0.8
54.12790	0.7
54.87102	0.9
58.97629	0.8
59.01384	100.0
60.01715	15.9
60.91023	0.8
61.01805	15.1
61.02083	1.2
61.98834	27.8
62.02127	1.9
68.66363	0.9
69.75977	0.8
69.95358	0.9
69.95708	2.5
71.01385	2.4
73.02937	1.2
74.89021	0.8
76.96791	0.9
85.02959	2.7
89.02463	1.7
90.76579	0.8
101.02468	1.8
113.02453	1.2
133.01387	0.9
138.52359	0.8
142.70804	0.9
150.33218	0.9
161.02429	1.2
162.10893	0.8
167.07153	1.4
168.07552	1.3
183.10472	0.8
184.01424	0.9
204.90120	1.0
211.62628	0.8
223.22044	0.9
261.13541	1.4
270.52701	0.9
344.74716	0.9
452.22739	1.2
453.23712	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	452.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60069	0.7
55.01874	0.7
57.03462	1.1
59.01384	4.4
62.32241	0.6
64.85283	0.7
65.90049	0.6
70.02980	1.5
71.05013	3.3
73.02952	2.4
82.02988	2.2
83.01377	2.0
83.05027	3.9
85.21371	0.6
86.02469	1.0
96.04575	8.8
98.02483	9.3
98.06111	6.0
99.08157	3.0
101.02451	2.0
101.06084	2.3
107.05050	7.0
108.04567	0.9
120.01276	1.7
120.05783	2.0
121.06609	3.5
126.05620	70.3
127.05957	2.4
127.07670	9.7
133.06624	4.1
135.08171	16.3
145.06606	2.0
145.22954	0.7
161.04749	0.7
161.06107	2.5
170.04597	26.7
201.12862	3.4
203.14450	1.6
204.03366	100.0
204.11577	1.2
205.03654	3.5
211.19736	0.8
217.12312	5.8
219.13907	56.8
220.14226	4.0
229.12399	1.7
235.13391	4.1
247.13396	25.8
248.13750	2.6
281.12204	0.7
416.80579	0.6
452.17581	4.8
453.21417	1.2
467.31003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81012	1.3
57.03437	2.2
59.01394	7.2
61.11461	1.2
61.64864	1.1
66.80803	1.1
70.02974	5.0
70.96153	1.7
71.01384	1.9
71.05024	2.9
73.02949	3.1
82.02986	4.7
83.01388	1.5
83.05034	7.0
85.02989	1.2
86.02466	2.3
96.04554	9.5
98.02485	19.3
98.06126	4.1
99.08165	2.7
101.02478	1.2
101.06093	4.0
101.93006	1.2
107.05039	11.7
108.04585	2.1
109.03079	1.1
120.01266	2.4
120.05838	2.8
121.06610	5.9
126.05622	74.5
127.05990	4.3
127.07646	14.0
133.06628	6.4
135.08171	24.8
145.06541	1.7
161.06084	4.0
170.04605	70.1
171.04927	2.0
175.42986	1.3
201.12865	6.6
203.14441	3.1
204.03368	100.0
204.11530	2.6
205.03658	4.9
206.02888	3.5
217.12347	7.7
219.13904	82.8
220.14232	9.2
229.12315	2.3
234.55122	1.5
235.13393	5.7
247.13420	50.9
248.13785	6.7
448.94690	1.6
452.17389	11.3
453.17282	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	452.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76580	4.3
56.69691	4.6
56.74525	5.0
59.01384	100.0
60.01720	10.6
63.84109	4.4
69.41523	8.9
69.41934	23.0
119.78362	4.2
128.30280	6.5
177.37389	4.7
334.07434	15.7
335.07758	37.1
338.13800	7.9
392.15018	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	452.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48795	6.5
58.39750	6.2
59.01384	93.1
61.98824	10.4
63.23698	6.0
71.01395	19.5
71.42210	6.2
73.02944	29.7
85.02950	14.5
99.00890	100.0
131.03514	42.9
163.96257	8.3
189.47105	6.7
196.23065	6.9
202.23788	6.9
205.04982	8.5
245.15462	27.4
287.16586	11.0
337.20352	7.5
359.03720	7.0
367.21414	18.9
391.21286	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	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89440	1.1
69.75874	3.4
69.76236	1.5
75.14661	1.1
76.53308	1.2
76.55296	1.1
78.95910	4.6
79.49031	1.3
83.24119	1.4
90.66245	1.1
98.21955	1.5
99.57398	1.4
126.20199	1.3
141.95769	1.2
167.10945	1.3
191.40732	1.3
249.51317	1.3
255.23314	100.0
256.23709	7.1
393.19690	4.3
452.27948	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	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54701	0.2
63.06033	0.2
69.87484	0.5
70.63419	0.2
78.95909	22.2
96.96964	0.3
122.00131	0.7
140.01202	5.0
152.99615	2.2
171.00650	0.8
196.03810	9.5
214.04846	1.9
232.09349	0.2
255.23306	100.0
256.23663	7.7
391.22507	0.3
452.27838	24.5
453.28339	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	453.014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
59.06182	0.8
71.40313	0.9
73.02956	1.5
85.02958	2.2
89.02470	0.9
93.03488	1.5
95.70367	0.8
96.96011	7.3
98.95604	9.8
98.96426	1.4
99.92593	21.1
100.92687	2.0
100.93368	19.7
101.02451	1.5
115.92083	28.7
116.92113	2.1
116.92875	7.2
133.02968	2.5
134.03769	5.6
135.04523	10.4
147.38057	0.7
161.02452	1.9
173.70569	0.9
179.03552	7.0
191.05647	8.5
192.06018	2.0
193.06084	3.0
199.95763	1.1
202.98668	1.1
210.97086	2.5
210.99176	0.8
215.95209	2.7
216.95961	3.4
217.96797	14.9
218.97549	47.7
219.94734	1.3
219.97742	4.0
221.96211	2.7
234.96957	1.7
236.99777	0.9
244.95522	3.3
256.97653	0.9
261.95770	2.8
262.96530	100.0
263.96701	9.4
274.27875	0.9
307.08298	2.1
357.65372	1.1
373.00232	8.7
374.00220	1.0
391.01257	40.2
392.01337	5.7
393.03571	0.9
435.00281	1.4
453.00974	2.2
453.06363	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	453.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29303	1.6
59.01374	2.4
60.99312	10.3
62.55527	2.0
64.20290	2.1
68.17612	1.8
70.85617	3.0
87.00883	4.5
88.00394	3.3
88.01262	2.6
88.98814	76.8
89.02454	100.0
96.96023	2.5
123.77309	1.9
132.94046	2.0
238.83374	2.2
250.94063	2.2
453.14545	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	453.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33215	0.8
59.01382	19.0
61.98835	100.0
69.14397	4.7
71.01410	4.9
71.05034	0.7
73.02956	6.2
85.02956	2.4
89.02443	1.6
91.79039	0.7
101.02482	3.7
105.13187	1.0
113.02451	2.7
130.06656	2.1
135.08221	1.0
139.83849	0.9
147.08122	1.0
148.10231	0.8
155.06158	1.2
156.06929	2.5
157.07721	3.5
161.04599	1.2
161.06030	1.1
205.12285	2.8
206.02948	0.9
231.13870	2.3
249.11304	1.5
249.15016	2.4
260.10709	1.2
287.11957	6.5
288.12390	1.1
291.07062	1.1
293.63995	0.8
304.14456	1.2
304.75269	0.8
346.15646	11.2
347.15906	1.2
352.78491	0.9
390.14722	5.7
411.20050	2.7
453.21234	6.5
454.21930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98809	0.8
69.32507	3.9
71.01385	2.5
73.02955	1.1
78.01095	0.8
81.04586	6.1
83.01381	1.9
85.02957	2.7
87.00912	0.8
89.00346	1.3
89.02443	0.9
95.01418	1.7
101.02452	2.1
106.00622	1.2
107.01376	2.0
111.00904	2.2
111.05663	10.0
113.02476	0.8
115.00334	0.8
121.02967	36.6
122.03260	1.0
123.00900	4.5
124.01650	0.9
125.02492	0.8
127.00441	1.0
136.98904	0.9
137.02435	1.4
138.03238	7.1
139.00388	1.9
139.04065	3.2
141.01967	1.2
151.00415	1.0
153.05605	35.6
154.05962	1.2
166.99915	2.0
168.00705	2.2
169.01445	3.0
181.06256	0.8
181.73517	0.8
182.02257	5.4
183.02983	10.8
197.04572	100.0
198.04889	4.0
262.05975	1.9
263.06732	4.6
276.07486	2.8
277.08289	5.4
289.08398	1.0
290.09137	1.0
291.09894	23.8
292.10291	0.7
317.07617	0.7
319.09369	1.5
438.12790	4.8
453.15161	88.2
454.15491	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	453.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48687	0.3
57.03513	0.9
57.20560	0.3
59.01123	0.8
59.01440	11.5
69.03532	0.9
69.47214	1.4
71.01392	3.4
72.99348	0.4
73.02951	4.9
79.99093	0.3
83.01465	1.0
85.02956	3.5
85.06597	4.9
87.00993	0.3
87.60696	0.3
89.02452	1.6
90.33905	0.3
90.47363	0.3
96.96082	0.5
97.02966	2.1
101.02450	3.8
107.05038	3.3
109.03008	0.6
111.04613	0.4
113.02459	2.9
118.98106	1.6
119.03601	0.3
120.05820	2.9
126.05611	0.6
129.02080	0.3
129.05655	1.4
131.03508	0.3
133.06601	3.5
133.12199	0.3
135.04579	0.5
135.08174	32.3
136.08549	1.3
143.03484	0.4
147.02971	0.4
147.04567	0.4
152.04851	0.5
154.03224	0.4
161.02538	0.4
161.04651	0.8
162.06883	1.0
165.88940	0.4
171.08234	0.6
172.08980	0.9
187.11298	42.6
188.11671	1.9
190.09995	2.2
191.01968	1.1
203.10747	0.4
204.03397	0.9
205.12346	38.4
206.12637	2.2
231.10294	9.9
231.13756	1.6
232.10539	0.5
249.11327	100.0
250.09108	0.5
250.11676	8.2
257.08194	0.3
285.00449	0.4
325.11810	0.3
373.25168	0.4
393.14767	0.5
393.19159	0.9
411.15717	0.4
411.20401	0.7
453.17090	12.2
454.17615	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	453.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25790	0.3
57.03511	0.7
59.01141	1.6
59.01476	8.6
61.98919	0.6
69.03531	0.6
69.84670	0.3
71.01493	2.7
71.71165	0.3
73.02618	0.8
73.03056	5.3
74.99188	0.4
83.01512	1.1
85.03074	3.6
85.06712	4.0
89.02551	0.8
93.74451	0.4
96.96146	0.5
97.03082	2.1
101.02462	3.5
107.05158	3.2
109.03072	0.6
111.04622	0.4
113.02448	2.9
118.98221	1.5
120.05823	3.5
126.05736	1.0
129.05663	0.8
133.06628	3.5
135.07219	1.0
135.08174	30.3
136.08638	1.4
143.03584	0.5
147.03065	0.5
147.08281	0.4
152.04868	0.5
161.04668	0.5
161.06117	0.4
162.06946	0.7
169.10336	0.6
171.08260	0.7
172.09041	1.0
179.03632	0.4
185.09846	0.5
187.11295	39.9
188.11630	2.6
190.10031	2.1
191.02042	0.9
204.03377	0.6
205.12346	38.0
206.12688	2.3
213.09210	0.6
231.10281	9.4
231.13980	1.5
232.10669	0.6
249.11331	100.0
250.11673	7.0
259.09778	0.4
268.40268	0.4
315.06741	0.4
323.26883	0.3
365.04614	0.4
392.23871	0.3
393.14755	0.7
393.19144	1.0
411.16235	1.0
416.22531	0.3
417.40341	0.4
453.17130	12.9
454.17624	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	453.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03436	1.2
59.01384	100.0
60.01715	1.2
61.98827	1.5
65.03970	13.8
69.03461	5.5
71.01373	4.1
71.05013	2.3
73.02951	2.7
75.00871	2.7
78.91882	1.2
80.02670	1.3
81.03459	3.7
83.05040	10.4
84.76583	0.8
85.02952	1.9
87.04509	1.4
92.55054	0.9
95.05037	4.1
97.06610	5.4
99.00889	29.0
102.05705	1.0
109.02943	3.3
109.06595	1.7
113.02446	2.1
121.06582	4.0
123.04494	1.1
123.08181	5.1
125.06117	1.1
125.09743	2.6
127.04009	3.4
131.03510	12.1
133.06566	0.9
135.04549	1.9
135.08167	1.6
137.06044	1.8
137.09741	3.2
139.07690	1.7
141.05647	1.9
145.06673	0.9
150.06879	2.2
151.07625	1.8
151.11295	1.2
153.09256	2.2
163.07645	2.3
165.09203	4.5
177.09200	3.9
179.10847	2.1
185.11868	1.2
189.09291	0.9
191.07155	1.0
193.08743	2.0
201.09293	1.6
207.13937	10.2
219.10341	2.1
233.11879	2.6
240.07693	1.4
243.13908	2.4
249.14948	2.2
251.12897	1.8
255.10248	3.6
255.14148	1.0
255.17447	0.9
258.12692	1.4
261.14987	5.4
263.09503	1.0
269.11774	1.8
270.12601	1.6
273.14987	1.3
281.15494	1.8
284.14230	9.3
291.16412	1.2
299.16556	36.9
300.16833	3.8
305.13535	1.0
307.12149	2.9
313.18265	2.2
317.17548	5.8
319.15524	1.4
331.19171	10.7
332.19595	1.3
343.15405	1.9
349.19882	1.7
359.18546	3.1
361.16431	3.7
375.18103	3.9
393.19260	8.2
394.19464	1.2
421.18665	3.2
435.20166	3.9
453.21460	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	453.2134
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01875	1.0
58.00623	0.5
59.01385	100.0
60.01729	0.7
64.31142	0.5
66.83304	0.4
69.03455	0.9
70.50683	0.6
71.01389	21.7
72.05661	0.4
72.99324	1.0
73.02954	36.1
75.00885	0.6
77.61746	0.4
83.01398	8.1
83.05019	0.4
85.02961	4.8
87.00890	0.9
89.02455	9.8
89.02953	0.8
95.01411	1.4
97.03004	0.6
99.00929	0.6
101.02458	22.3
102.02809	0.7
107.05039	1.8
109.02959	0.8
109.06609	0.5
110.07108	0.4
111.04487	0.7
111.08191	1.0
113.02461	9.0
119.03527	3.8
121.06603	1.0
125.02488	0.8
131.03540	1.6
133.66113	0.4
139.07687	1.5
141.09258	1.3
143.03542	1.6
147.08232	0.5
149.04636	0.7
152.00253	0.4
161.04597	2.8
164.10957	0.4
173.30736	0.4
203.14461	0.7
205.03748	0.5
211.80130	0.5
213.13040	0.5
219.14082	0.5
231.13916	5.9
232.14368	0.5
240.38698	0.4
249.14954	2.6
284.69141	0.5
320.32379	0.4
375.18243	1.6
378.49490	0.4
393.19275	6.9
393.29868	0.5
411.20319	3.9
453.21286	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	453.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01707	1.3
61.98830	2.4
66.45328	1.1
69.27335	2.7
69.27720	2.6
71.01369	1.9
82.93095	1.1
83.05025	6.6
85.02966	1.1
85.20567	1.1
98.89254	1.0
99.00870	2.0
102.01212	1.1
103.91989	1.2
112.26631	1.3
123.05814	1.1
127.04002	4.2
152.66090	1.0
176.42931	1.1
198.05484	1.1
245.15582	1.5
248.77527	1.2
254.12936	1.1
351.21838	1.5
375.21634	3.2
388.01923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87500	13.1
62.93719	11.9
69.30457	22.9
69.30864	46.0
75.82962	11.3
100.14571	11.3
118.95721	11.4
130.91685	12.8
255.23325	100.0
263.76160	12.1
374.02328	14.0
387.64218	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	454.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.4
59.01383	74.2
61.86200	8.0
67.98389	7.6
69.54140	22.3
71.01380	11.1
73.02956	21.6
78.95877	7.9
85.02970	8.7
98.21951	12.0
99.00894	33.9
131.03488	17.7
133.02922	11.8
152.99620	25.6
161.02438	13.5
165.12837	27.2
183.13905	100.0
207.13846	22.7
227.12892	71.5
455.17047	63.1
472.01965	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	454.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.1
61.98828	4.1
65.14149	1.8
69.24440	10.2
71.01379	11.8
73.02963	2.4
85.02954	9.1
97.06608	1.7
98.21921	4.7
99.00880	2.5
113.02466	3.4
115.00368	4.9
133.01465	3.6
133.02956	5.7
134.03717	3.4
135.04529	4.8
149.06128	2.0
160.01671	5.3
161.02461	8.1
169.51537	1.7
175.03972	4.8
179.03546	5.3
179.10818	6.8
192.26747	1.9
193.04996	2.7
201.41168	1.9
203.14409	3.0
223.09756	5.1
232.11066	5.7
234.12666	4.4
235.13515	2.1
243.13911	3.5
247.05547	2.7
247.13394	39.6
248.13678	2.9
249.14984	27.2
283.13419	2.3
289.14325	2.5
299.86749	2.1
301.14468	7.4
319.15533	100.0
320.15915	8.0
321.17215	6.6
361.16849	2.5
367.10168	3.0
379.17368	2.7
411.20224	16.6
433.12192	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60416	0.7
61.98837	100.0
69.96100	1.2
69.96426	1.6
84.34985	0.8
102.86187	0.9
105.70368	0.8
111.87923	0.9
356.41852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26695	0.5
52.61884	0.6
59.01373	1.2
60.05846	0.5
61.98834	100.0
70.91582	1.1
98.22514	0.5
99.09827	0.5
100.37575	0.5
108.86591	0.5
117.91930	0.5
121.02991	0.9
123.40186	0.4
126.76127	0.5
149.38901	0.5
240.73418	0.5
240.76724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0981
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01383	1.0
60.28848	0.4
68.45784	0.3
71.01388	0.5
78.95911	78.9
79.17886	0.4
80.27552	0.3
83.08085	0.3
85.02965	0.4
96.96970	100.0
100.93486	0.4
115.00385	0.6
133.01460	1.0
138.39691	0.4
138.98018	3.7
144.08214	0.5
144.87584	0.4
151.02628	0.4
184.08841	0.5
198.06770	1.2
199.00142	11.8
212.08324	3.9
213.01706	10.2
214.02034	0.4
241.07344	4.6
255.08884	6.6
354.64276	0.4
357.12030	0.6
455.09747	24.9
456.10184	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67373	0.4
55.01899	0.4
57.03456	0.5
59.01383	100.0
60.01719	0.6
62.19277	0.4
69.03466	0.7
69.65460	1.4
71.01386	16.7
73.02951	23.1
83.01389	4.4
85.02952	4.8
87.00886	0.5
89.02448	10.7
95.01424	0.9
97.02967	0.8
98.21846	0.7
99.00909	0.4
101.02446	17.0
113.02460	9.4
116.05084	0.4
118.98093	0.6
119.03506	3.3
125.02487	0.5
131.03532	1.5
143.03540	1.3
149.04579	0.8
161.04591	2.3
165.02301	1.0
178.55307	0.4
179.03580	0.4
179.05667	0.6
180.31302	0.4
181.01489	0.4
184.66995	0.3
190.06865	0.3
191.00304	0.5
233.01282	2.4
233.15456	0.4
249.84503	0.4
251.02486	0.5
251.16592	0.6
267.25574	0.4
314.91928	0.5
364.23367	0.4
413.21533	0.6
455.22479	1.2
460.07294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98838	24.2
65.03973	7.9
69.03444	3.7
71.01377	7.4
71.05024	3.3
71.41891	1.2
73.02948	3.7
75.00874	2.7
81.03451	3.5
83.01432	1.3
83.05044	9.2
85.02968	1.8
91.93896	1.3
93.03466	6.1
99.00886	18.4
100.01272	1.4
101.02364	1.2
105.15790	1.5
109.02969	7.3
111.04554	4.6
113.02438	1.6
121.06557	1.6
123.08211	1.9
125.09731	2.1
127.04013	2.7
131.03535	8.3
141.05603	7.8
141.09219	5.9
149.06004	2.2
151.11272	1.3
153.09225	1.8
153.12852	4.8
159.08479	1.3
161.02547	1.6
177.09215	2.5
179.10797	8.2
205.54347	1.5
207.13918	2.1
213.14969	1.6
225.14920	1.7
245.15543	3.1
251.12856	4.6
251.16602	2.8
253.10730	3.8
253.14586	1.8
257.15527	1.7
263.16605	4.2
275.90457	1.3
283.17123	1.7
291.16037	4.5
301.18106	19.6
302.18332	3.0
311.15060	2.0
319.19095	5.6
322.04999	1.5
333.20706	3.1
345.16943	5.0
361.20340	2.3
363.18048	4.1
377.19727	3.7
395.20724	6.0
407.04010	1.5
423.20306	5.6
437.21405	6.7
455.22934	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	79.6
64.05890	6.7
69.05750	49.1
71.01387	28.0
73.02967	12.2
74.67760	7.3
81.03445	6.7
83.05027	21.8
85.02943	23.4
87.00884	6.8
89.02449	18.8
89.05385	7.0
89.47103	5.8
98.22611	15.4
101.02427	15.1
111.04525	100.0
113.02459	11.9
115.00375	14.7
127.17123	6.2
134.03662	7.8
161.02454	13.1
170.43532	6.5
177.01945	8.4
179.03497	19.7
179.10765	28.2
181.06010	7.9
223.09732	27.7
223.57384	7.4
247.05672	6.8
247.13527	9.1
251.12878	56.0
345.17081	15.3
363.17938	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	79.6
64.05890	6.7
69.05750	49.1
71.01387	28.0
73.02967	12.2
74.67760	7.3
81.03445	6.7
83.05027	21.8
85.02943	23.4
87.00884	6.8
89.02449	18.8
89.05385	7.0
89.47103	5.8
98.22611	15.4
101.02427	15.1
111.04525	100.0
113.02459	11.9
115.00375	14.7
127.17123	6.2
134.03662	7.8
161.02454	13.1
170.43532	6.5
177.01945	8.4
179.03497	19.7
179.10765	28.2
181.06010	7.9
223.09732	27.7
223.57384	7.4
247.05672	6.8
247.13527	9.1
251.12878	56.0
345.17081	15.3
363.17938	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	79.6
64.05890	6.7
69.05750	49.1
71.01387	28.0
73.02967	12.2
74.67760	7.3
81.03445	6.7
83.05027	21.8
85.02943	23.4
87.00884	6.8
89.02449	18.8
89.05385	7.0
89.47103	5.8
98.22611	15.4
101.02427	15.1
111.04525	100.0
113.02459	11.9
115.00375	14.7
127.17123	6.2
134.03662	7.8
161.02454	13.1
170.43532	6.5
177.01945	8.4
179.03497	19.7
179.10765	28.2
181.06010	7.9
223.09732	27.7
223.57384	7.4
247.05672	6.8
247.13527	9.1
251.12878	56.0
345.17081	15.3
363.17938	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03438	1.2
59.01385	100.0
60.01726	0.6
69.03461	0.8
69.17176	2.3
71.01389	19.5
72.99324	0.8
73.02954	30.3
75.00878	0.6
81.03468	0.4
83.01388	7.1
83.01840	0.5
85.02961	7.5
87.00895	1.5
89.02454	9.5
95.01419	1.6
97.02972	0.9
99.00920	0.9
101.02452	21.5
113.02461	10.2
118.98098	0.8
119.03517	4.5
125.02489	0.9
131.03526	1.6
143.03552	1.6
149.04596	1.2
159.03015	0.5
161.04584	5.4
163.11394	1.5
179.05698	0.7
215.14328	0.5
217.12433	0.6
233.15503	1.2
251.16537	3.8
264.40112	0.5
307.17706	1.0
311.28384	0.4
395.20789	1.6
413.13327	0.5
413.21881	6.2
414.22086	0.7
455.22888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.2
56.01690	1.2
57.03422	1.3
59.01384	100.0
59.38058	1.2
61.98822	1.5
65.54886	1.2
69.03418	1.3
71.01386	30.8
71.38492	1.8
73.02952	76.5
74.04147	1.1
82.84731	1.1
83.01393	17.0
85.02947	7.8
87.00892	2.4
89.02448	8.9
95.01405	1.7
98.22639	1.2
101.02451	40.7
107.05013	1.3
113.02437	10.6
118.98090	6.0
119.03516	3.0
121.10263	3.5
125.02457	2.7
128.03542	1.3
131.03474	2.5
143.03481	1.9
144.43753	1.2
145.06282	1.4
161.04610	5.8
161.05869	1.4
189.16483	3.2
233.15462	24.4
235.17027	6.3
251.16547	12.5
306.79773	1.3
375.10175	1.4
395.20819	9.4
413.21829	25.5
414.22217	2.1
434.78720	1.4
455.06000	2.8
455.22876	95.5
456.23367	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	455.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51577	0.2
52.78397	0.3
55.01881	0.4
55.96857	0.3
57.03451	1.1
57.61443	0.2
59.01384	100.0
60.01722	0.9
61.39465	0.3
61.98835	0.7
71.01389	9.8
72.99332	0.3
73.02955	5.5
74.77429	0.3
74.99117	0.5
83.01389	1.6
84.83164	0.3
85.02959	5.9
87.00892	0.6
89.02457	3.8
94.20085	0.3
95.01440	0.9
97.02965	0.4
98.21857	1.0
99.00927	1.0
101.02450	7.2
107.05033	0.4
108.02184	0.3
111.00896	0.3
113.02459	4.5
118.98126	1.0
119.03551	1.0
122.03786	0.3
123.04570	0.6
125.02504	0.5
129.02003	0.4
130.08775	0.4
133.02951	0.3
135.04562	1.0
143.03572	0.7
147.03049	0.6
150.03168	0.3
151.07655	0.5
156.14937	0.3
159.03056	0.5
161.02493	0.8
161.04578	4.1
161.05882	0.4
162.02916	0.3
164.73299	0.3
165.05653	0.5
167.10954	0.3
179.03540	0.8
180.06779	0.9
181.06943	0.6
189.12794	0.3
191.02083	1.0
195.67148	0.3
204.01534	0.3
207.10402	0.4
233.11903	0.6
233.15579	0.7
251.12953	1.4
251.16490	2.5
279.99417	0.3
375.16479	1.6
376.17706	0.5
395.20828	1.1
413.21872	5.7
414.22266	0.7
455.13113	0.7
455.19400	1.4
455.24008	0.8
455.32492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97937	0.6
58.00592	0.7
58.55474	0.8
59.01384	100.0
60.01730	1.1
69.03442	0.8
71.01388	21.4
73.02952	21.6
83.01399	5.1
85.02958	7.9
87.00935	1.0
89.02448	16.8
95.01404	1.3
98.21793	1.3
101.02451	18.2
113.02457	13.6
119.03507	5.8
125.02443	0.6
125.35807	0.6
131.03542	2.2
143.03563	2.5
147.02977	0.7
149.04593	1.0
161.04538	3.0
179.05635	1.9
189.47365	0.6
312.41647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
59.01386	4.2
60.00539	0.6
64.30363	0.5
68.48648	0.6
71.01373	1.8
75.00879	0.8
83.05027	0.7
85.02934	0.9
96.96021	0.8
113.02456	1.2
118.91667	0.6
121.10249	30.0
122.10632	0.8
125.09743	1.1
125.87366	0.7
127.11201	0.7
127.86990	0.7
171.10286	51.9
172.10632	2.0
177.16409	1.1
185.11784	1.9
203.17975	0.7
231.21289	4.4
275.20184	99.8
276.20529	7.8
293.21262	100.0
294.21613	8.0
338.06619	0.7
347.22452	1.1
365.11877	0.7
462.44629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.19265	0.9
70.55780	1.7
72.81521	0.7
84.71473	0.8
131.78676	0.7
144.65823	0.7
184.10979	0.7
212.90448	0.8
274.40378	0.8
383.47345	0.8
455.35339	100.0
456.35681	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	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01385	100.0
60.71246	1.4
61.98835	90.6
71.01387	12.9
73.02952	10.2
74.02473	5.9
79.95741	3.1
83.01372	2.0
85.02963	13.5
89.02447	10.0
93.03480	1.8
98.21925	6.3
99.04510	6.3
101.02455	10.6
110.74940	1.5
113.02451	8.5
118.98109	4.4
119.03490	3.8
119.05043	3.0
133.03004	2.2
135.04517	3.6
147.02946	1.5
149.06087	12.2
150.06418	4.7
151.07693	2.2
151.11272	6.9
161.02475	4.0
161.04599	3.0
163.03964	4.0
179.03462	2.3
180.06662	23.6
180.97430	1.7
191.01993	2.2
208.13416	2.5
233.15634	1.5
239.20319	1.8
247.16798	1.4
252.12334	3.2
270.13422	3.0
270.56985	1.8
289.16678	1.9
292.90738	1.5
307.17636	11.7
349.18661	2.1
376.17667	26.9
377.17810	1.9
455.31680	2.2
456.13394	28.9
456.31833	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	456.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30796	0.3
59.01386	6.0
59.03625	0.3
61.98835	100.0
67.60917	0.3
71.01402	1.1
72.75721	0.4
72.89968	0.3
72.99317	0.4
73.02954	0.5
75.00887	0.7
80.12801	0.3
85.02953	0.5
86.00139	0.6
87.00932	0.8
99.00887	2.1
100.01220	0.4
101.02477	0.8
101.06105	0.4
113.02459	0.6
131.03593	0.6
133.02936	0.5
165.05963	0.4
171.31209	0.4
183.18478	0.4
299.16641	0.5
325.20444	0.4
366.19983	0.4
456.25967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04786	0.3
59.01385	2.3
61.98835	100.0
63.64328	0.3
69.37694	0.6
69.38091	1.2
71.01377	0.7
85.02979	0.4
99.00899	0.6
102.73091	0.3
159.24162	0.3
160.25569	0.3
175.68260	0.3
218.04507	0.5
252.19630	0.3
457.19510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.38478	6.8
61.98832	18.1
69.15668	45.8
71.01378	20.0
73.02955	30.6
98.06148	7.9
104.14265	7.4
127.64725	6.6
138.51050	7.2
149.69937	7.4
164.01472	7.0
196.40892	9.1
214.18976	8.0
274.47061	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	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	68.1
80.13866	16.8
85.02952	20.1
103.95730	18.0
329.62195	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.42465	12.6
69.42868	24.8
71.01371	10.6
74.74627	7.3
83.01398	7.9
85.02982	7.5
102.79404	7.1
130.08739	18.3
135.04526	13.5
161.02437	14.3
161.90494	8.1
167.91872	7.6
184.15009	6.6
457.20602	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98835	31.9
64.46614	11.1
69.81988	27.5
69.82346	25.6
97.44614	13.9
120.72725	13.5
152.03329	12.0
196.69745	11.4
224.53229	12.7
367.66458	16.5
414.84955	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	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78536	0.3
60.09598	0.4
62.50986	0.4
68.82293	0.4
69.64217	0.4
71.01393	6.6
71.01757	0.7
73.76281	0.4
89.02475	0.5
101.02459	0.5
107.05038	0.6
115.00382	4.6
119.05073	0.5
133.01439	1.5
134.03749	2.0
135.04541	71.7
136.04849	2.6
155.98526	0.4
159.20474	0.4
161.02370	0.5
168.47150	0.4
179.03513	100.0
180.03853	4.9
220.39326	0.4
224.88852	0.4
225.05197	0.4
231.07529	0.4
256.47836	0.4
341.08820	8.2
342.09109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51832	0.8
54.54158	0.7
55.67912	0.8
59.01398	5.1
71.01388	8.6
72.99311	1.1
75.00861	1.4
78.95901	0.8
85.02934	2.1
87.00949	0.8
89.02441	2.2
96.96963	0.9
101.02450	1.5
113.02434	1.7
115.00386	11.4
119.05040	1.5
133.00461	1.2
133.01440	19.7
133.03000	1.9
134.03748	2.9
135.04536	83.9
136.04869	3.5
150.03300	1.1
161.02452	5.4
163.04021	2.6
172.92281	0.7
178.02640	1.0
179.03513	100.0
180.03873	4.3
186.81506	0.8
201.40845	0.7
252.47319	0.8
311.09979	4.0
338.54535	0.9
341.08786	48.0
342.09213	3.7
356.02283	0.8
377.11823	1.5
390.34573	0.8
458.14688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57362	1.2
59.01384	5.3
62.97029	0.9
71.01389	24.1
72.99313	4.5
78.95896	2.4
85.02946	2.2
87.00861	1.2
88.04082	1.2
89.02440	3.7
93.83365	1.0
96.96954	2.8
100.52776	0.9
101.02472	1.9
107.04994	1.2
113.02484	1.2
115.00384	53.3
116.00751	1.7
119.05043	4.4
133.01443	100.0
133.02869	7.3
134.01772	2.0
134.03770	2.6
135.04538	79.5
136.04866	3.1
146.04706	0.9
157.36206	0.9
161.02457	17.4
163.04021	4.7
179.03510	90.1
180.03859	3.1
193.05016	1.6
202.00914	0.9
311.09644	1.7
316.59677	1.2
323.07654	3.3
341.08795	72.5
342.09253	5.2
377.11716	3.8
381.69012	1.2
394.19696	1.1
457.13553	3.3
458.14517	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	457.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46647	0.7
57.03452	0.8
59.01387	30.2
61.98846	1.0
69.41817	3.2
71.01391	4.5
73.02946	3.2
74.99069	1.5
81.03468	3.4
83.01393	8.2
85.02959	4.7
89.02451	1.7
97.61608	0.7
101.02462	3.4
111.91084	0.8
112.72968	0.8
113.02454	2.2
118.98108	7.1
119.03542	1.0
123.04533	5.3
125.02437	2.3
133.02831	0.8
135.04553	0.9
147.03116	0.7
149.02483	3.8
151.00337	2.3
161.02435	1.4
165.05591	6.2
167.03520	12.0
179.03584	1.4
189.90747	0.8
191.01982	1.0
191.03514	2.0
193.01448	11.6
205.05119	3.6
209.04576	100.0
210.04970	4.6
228.23012	0.7
233.04550	2.8
251.05615	2.1
251.61290	0.7
297.13086	0.8
397.22678	0.8
413.10983	11.8
414.11157	1.6
415.23306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.3
59.01385	100.0
71.01392	17.8
73.02950	8.1
75.00888	7.0
75.71193	5.7
85.02949	71.7
87.00853	9.6
89.02454	9.7
94.05395	6.4
98.71939	6.4
98.92428	6.3
101.02463	12.5
113.02437	15.3
114.18512	7.2
118.98115	8.6
133.02991	11.5
135.04475	14.9
161.02437	18.8
179.03542	17.6
191.02023	17.2
219.47922	6.8
249.30193	7.4
254.27118	6.4
270.60922	7.3
358.20654	7.5
456.63660	7.7
457.12491	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	457.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
59.01386	79.8
69.03468	1.5
69.09112	8.1
70.34144	1.0
71.01386	3.7
73.02955	1.5
81.03455	1.2
83.05038	12.7
85.02959	1.6
85.06583	2.6
97.06596	3.1
99.00881	2.8
99.01994	3.0
101.02462	1.8
107.40527	1.0
109.02959	3.6
109.05032	1.0
109.06605	1.8
113.02455	3.8
119.05023	1.1
123.04496	1.7
123.08162	2.0
124.35073	1.0
125.09733	1.4
133.02931	1.1
133.51244	1.2
135.08197	1.5
137.07205	3.0
137.09703	2.0
161.06015	1.8
165.09221	1.4
169.14789	1.3
171.08168	1.4
173.09718	2.9
183.08183	3.7
185.06097	4.2
193.08641	1.6
199.07613	7.5
200.08438	1.9
201.09155	6.2
203.10719	2.1
206.09386	1.5
207.13840	1.6
225.92912	1.0
233.11719	1.2
244.11066	2.0
245.11853	3.1
247.13451	1.3
251.10567	1.8
255.10187	2.0
255.13870	4.6
259.13376	2.1
261.15002	2.9
265.12418	1.7
266.13110	3.3
269.11865	6.2
271.17032	2.8
273.18515	2.7
278.75977	1.0
281.15469	5.7
282.12604	1.7
283.13330	14.2
284.14182	7.9
288.13635	1.9
297.14886	3.8
299.16553	100.0
300.16913	9.5
302.15189	2.8
310.12173	5.3
317.17569	13.7
318.17990	1.4
325.14441	19.1
326.14639	2.5
343.15515	35.8
344.15851	4.3
361.16644	26.6
362.16928	2.2
385.11954	1.5
385.16617	27.1
386.16965	2.9
397.22607	1.5
403.17532	5.1
413.14609	4.9
421.18518	3.0
471.73611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29237	1.2
59.01385	100.0
61.98827	5.9
71.01376	2.8
71.05005	2.1
78.91893	2.5
83.05033	12.4
85.02959	2.1
93.42490	1.5
99.54382	1.2
101.02448	2.2
109.02941	1.9
123.08163	3.4
125.06068	1.9
139.07690	2.1
217.08597	1.7
229.08623	1.6
243.13985	1.8
244.11000	3.3
245.11827	8.1
247.13422	17.6
254.09415	2.0
259.13358	11.2
269.11713	1.5
272.10626	3.4
284.14252	1.9
287.12924	5.5
288.13531	4.1
299.16556	16.5
302.15271	21.2
303.15591	2.6
305.13907	13.7
309.07849	2.6
317.17621	39.4
317.57443	1.5
318.17804	3.7
377.19772	4.4
421.18716	20.2
422.18869	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	457.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	84.4
61.98843	9.3
63.96973	2.0
71.01385	5.5
81.03475	2.4
83.05052	10.6
85.02983	3.1
85.06581	6.2
97.06609	4.0
99.00922	2.1
99.92579	8.3
109.02983	2.8
113.02465	4.0
115.92001	2.0
121.02943	7.0
123.08167	2.6
149.91649	1.9
161.06189	2.4
166.05078	1.7
169.59024	2.1
171.08171	2.7
183.08223	4.4
185.06096	8.0
193.06604	2.4
199.07658	9.0
201.09241	7.7
201.11369	5.9
203.10728	3.0
204.95999	3.4
209.11929	3.5
215.14500	3.2
215.16454	4.5
229.12584	3.2
236.94795	2.3
245.11743	3.2
245.15407	6.7
251.10919	3.6
255.13864	4.5
259.13300	4.1
261.15179	4.1
266.12906	3.4
269.11862	7.5
273.18582	2.8
281.15512	5.2
283.13428	22.7
284.14136	7.0
297.14990	4.9
299.16544	100.0
300.16956	11.0
305.06049	2.0
305.17657	2.9
310.12024	8.6
317.17615	14.3
325.14517	20.9
343.15558	27.6
344.16006	3.9
361.16583	21.7
385.16553	21.5
386.16727	3.3
412.99451	3.2
421.18857	2.1
442.38443	1.9
456.98688	20.3
457.23245	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	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01385	100.0
60.01725	0.9
61.98864	0.9
69.21771	1.7
71.01387	5.9
72.99306	0.4
73.01192	2.3
73.02950	5.1
74.99085	0.7
83.01418	1.5
85.02957	3.5
87.00896	0.6
89.02455	3.7
98.21910	0.7
99.00880	0.6
101.02462	5.8
113.02489	3.0
118.98100	5.9
119.03546	1.0
121.02962	3.9
123.04533	0.6
131.03549	0.6
131.72426	0.5
133.03008	1.1
135.04572	1.7
143.03516	0.9
150.03394	0.5
161.02451	1.9
161.04642	1.0
167.02029	1.1
179.03574	1.4
179.05678	0.5
191.02048	0.6
209.03073	0.5
235.00932	2.3
253.02104	0.6
295.15692	0.4
321.56415	0.5
397.22528	0.9
415.23392	0.9
458.13870	1.0
464.41354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73047	21.2
59.01402	99.2
61.98828	83.1
66.15862	19.9
69.13380	100.0
69.13787	46.3
97.06577	28.1
129.50807	21.3
133.03006	20.6
217.00307	56.8
225.69164	21.3
237.20999	19.9
278.35339	22.4
329.17667	56.4
374.98981	30.5
457.26001	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03442	2.8
58.00589	1.7
59.01383	100.0
60.01719	1.1
68.72796	0.8
70.80761	1.3
71.01389	48.2
72.01776	0.7
72.02180	2.6
73.02953	20.8
79.05513	4.7
81.07107	7.6
83.01390	2.2
85.02959	18.0
86.03333	0.8
87.00885	1.6
87.04522	8.8
89.02452	50.1
91.72039	0.7
93.07075	1.3
95.01398	2.5
98.03725	1.8
99.04530	14.5
101.02455	18.5
104.92810	0.7
105.07133	3.7
107.04996	1.0
109.06568	1.1
113.01718	1.5
113.02453	15.5
118.04273	2.0
118.98096	0.8
119.03510	18.6
124.54964	0.7
125.06088	1.1
127.07700	2.0
131.03517	2.6
133.02997	1.0
133.06631	6.0
135.04538	3.2
143.03506	3.4
145.10103	0.8
147.11798	2.1
149.04521	1.3
151.07666	45.5
152.07982	2.4
153.09180	1.1
159.11835	1.3
161.02440	3.1
161.04587	2.1
161.13365	7.7
164.08482	1.3
171.11752	0.8
173.13333	1.2
177.09209	3.4
179.03497	3.4
179.05673	5.8
197.13382	1.6
210.08185	0.7
215.14421	23.4
216.14720	1.8
233.15469	40.1
234.15793	3.1
277.14478	47.6
278.14893	4.6
457.20999	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	457.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39668	2.3
71.30165	0.4
77.07080	0.5
84.10995	0.4
90.34873	0.5
99.92590	6.1
100.93371	47.9
101.93369	2.2
115.92086	100.0
116.92094	4.6
116.92876	8.9
117.92599	0.6
132.92325	1.2
155.95265	0.8
172.95486	4.7
234.29604	0.4
235.82277	0.4
283.26407	1.6
341.44128	0.5
356.10205	0.5
409.20688	1.0
457.22800	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03444	1.6
58.00607	0.4
59.01382	100.0
60.01718	1.1
64.82619	0.4
66.80616	0.5
69.03461	1.1
69.28651	1.9
71.01387	17.1
72.99329	0.4
73.02950	31.9
74.03320	0.6
83.01390	5.4
85.02956	10.0
87.00890	0.8
89.02450	7.6
94.25496	0.4
95.01411	1.5
95.44638	0.4
97.02943	0.7
99.04518	0.5
99.08184	1.3
101.02450	20.0
102.02823	0.7
103.03983	0.3
105.98886	0.4
113.02453	10.6
118.98133	1.8
119.03506	2.7
123.04553	1.7
125.02478	0.8
127.07661	1.0
129.04175	0.9
129.05617	1.0
131.03548	1.8
133.02972	2.3
134.03781	0.8
135.04535	4.9
143.03543	1.6
147.03107	0.6
149.04546	1.1
155.03552	0.5
161.02480	4.4
161.04559	3.3
161.05811	0.6
162.02806	0.6
169.36836	0.4
179.03566	6.2
179.05589	0.9
191.02092	1.3
252.13689	0.5
266.08340	1.2
304.37036	0.4
328.52368	0.4
339.21097	0.4
376.61493	1.1
377.11801	0.5
397.22507	0.5
415.23538	0.8
422.14127	1.2
442.63599	1.2
457.16183	0.6
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
50.32499	0.3
51.60669	0.3
55.01884	0.6
55.48133	0.3
57.03458	1.0
58.00587	0.3
59.01385	100.0
59.15727	0.3
60.01717	0.5
61.98838	0.4
69.03473	1.2
71.01389	18.2
71.77112	0.3
72.01752	0.5
72.99301	0.4
73.02953	35.2
74.03315	0.3
75.00878	0.5
77.71796	0.3
83.01397	6.1
85.02955	6.1
87.00898	0.7
89.02451	7.1
95.01385	2.1
97.02963	0.6
98.21909	0.8
99.00896	0.6
101.02453	22.6
102.02833	0.4
103.20081	0.3
113.02461	13.0
118.98109	0.6
119.03540	2.5
125.02493	1.0
131.03520	2.2
140.51842	0.3
143.03464	1.7
147.03035	0.4
149.04604	1.5
151.11304	0.4
155.03532	0.5
161.04597	3.3
179.05699	0.5
180.06696	0.9
181.07039	0.7
191.02110	0.3
273.08389	0.3
362.17352	0.4
374.26736	0.4
377.18091	2.2
457.13892	1.9
457.20215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.19603	0.7
57.03456	1.1
59.01385	100.0
61.98828	1.3
71.01382	12.7
71.38640	0.9
73.02949	14.0
75.00864	1.6
75.72997	0.8
80.13645	0.7
83.01402	3.9
85.02966	7.8
89.02446	5.5
95.01394	1.4
99.00872	2.4
101.02451	13.2
111.00913	1.1
113.02454	7.0
115.00397	2.1
119.03527	1.5
125.02412	0.9
127.66106	0.8
131.03494	1.7
161.02412	2.1
161.04593	3.0
181.12282	1.1
191.01924	1.7
193.98999	0.8
209.11792	0.9
211.13417	2.4
225.11319	3.0
268.54907	0.8
283.08658	2.2
325.09692	3.0
341.19431	1.3
351.11124	1.6
397.22269	1.4
415.23508	2.0
457.10815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.00614	0.5
59.01384	100.0
60.01712	1.6
61.98843	0.6
69.41241	0.7
69.41640	1.7
71.01388	14.9
71.05037	1.5
72.99336	0.8
73.02958	9.7
74.99136	0.6
83.01382	2.5
83.05037	3.5
85.02956	12.3
87.00901	1.1
87.04528	0.6
89.02456	10.6
93.03473	0.6
95.01412	1.6
97.02962	0.8
99.00916	1.1
99.04518	2.4
101.02443	8.6
101.06118	1.5
109.06613	0.5
111.00936	0.6
111.28164	0.4
113.02455	8.5
113.03173	0.7
118.98125	2.4
119.03509	3.1
123.04541	2.4
125.02447	0.4
127.04025	6.1
127.07716	1.4
129.01974	0.9
131.03535	0.8
132.02206	0.6
133.02982	5.4
134.03784	0.9
135.04539	9.5
139.04111	0.5
143.03535	1.1
144.04324	2.6
145.05087	20.8
147.03090	1.5
148.01758	0.7
149.02512	0.9
149.04886	0.5
149.06049	2.6
150.03281	1.8
151.07649	3.8
161.02466	9.5
161.04642	1.7
162.02821	0.6
163.07600	0.7
173.06146	0.5
177.05603	1.0
177.09097	0.5
179.03520	9.7
179.05748	0.8
180.03807	0.8
189.05730	0.5
190.06447	2.3
191.02023	2.3
191.07201	1.1
200.08423	0.9
203.07129	2.4
204.07571	0.5
207.10295	0.7
215.10799	2.7
215.14461	0.6
218.09422	0.5
233.11847	11.1
233.15569	1.8
234.12274	0.8
235.13589	0.6
245.90509	0.4
250.94133	0.5
253.17902	0.5
259.09897	0.6
266.08368	1.2
277.10867	10.8
277.14499	1.9
278.11325	1.1
281.07324	0.5
295.11890	22.0
296.12357	1.8
310.58762	0.5
311.09760	0.5
337.13165	0.5
376.61749	0.9
377.12152	0.6
387.48676	0.5
397.22784	0.7
415.23471	0.7
439.16299	1.7
442.63361	2.5
443.14139	0.8
457.16943	8.9
457.64108	1.5
458.17517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03461	1.2
58.00605	0.8
59.01385	100.0
60.01713	0.9
61.03978	0.6
61.98844	0.9
69.17010	2.3
71.01389	16.0
71.05051	1.6
72.99327	0.7
73.02954	10.1
81.07072	0.6
82.09442	0.5
83.01396	2.0
83.05045	3.4
85.02959	13.7
87.00916	1.4
87.04544	1.0
89.02454	10.7
95.01422	1.4
96.91145	0.7
97.02973	1.2
98.55180	0.6
99.00893	1.1
99.04540	3.3
101.02447	8.9
101.06087	1.6
107.05087	0.9
109.03014	0.6
113.02466	8.3
118.98138	1.7
119.03517	4.2
123.01833	0.7
123.04561	2.4
127.04046	7.0
129.01958	0.8
131.03532	1.8
133.02977	4.7
133.06711	0.7
134.03749	1.1
135.04539	11.4
140.36830	0.6
143.03548	1.1
144.04341	4.2
145.05083	23.7
147.03073	1.1
149.02527	0.8
149.06105	2.9
150.03270	1.8
151.07654	4.2
161.02480	11.3
161.04602	2.4
161.05997	0.7
161.13414	0.8
162.02841	1.0
163.07774	0.7
174.20370	0.6
177.05629	1.3
179.03511	11.6
179.05759	1.0
179.07201	0.8
180.03825	0.8
190.06403	2.9
191.02022	2.6
191.05649	0.6
191.07187	2.0
193.08646	1.0
200.08537	1.3
203.07231	1.9
207.10362	0.8
215.10817	4.4
215.14470	1.2
233.11830	12.5
233.15417	3.6
234.12230	1.0
240.79744	0.6
266.08347	1.5
277.10913	15.4
277.14459	3.2
278.11371	0.9
295.11911	26.4
295.14932	1.1
296.09262	0.7
296.12350	1.7
310.08951	1.3
376.61441	2.2
391.62173	1.1
397.22598	0.6
413.10077	0.7
415.23587	0.9
439.16266	1.9
442.63669	2.5
443.13660	0.8
450.09198	0.7
457.16949	10.1
457.64090	3.2
458.16931	1.0
463.16086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	5.4
64.56657	2.6
71.01397	15.0
71.42208	3.4
73.02938	6.3
73.46295	2.6
75.00875	35.6
83.01392	3.8
85.02964	6.9
86.00076	7.6
87.00890	11.9
87.04552	3.0
99.00922	12.3
101.02435	3.8
101.06085	3.3
113.02465	5.6
115.00374	4.4
115.81937	2.6
122.50961	2.4
141.01953	4.2
143.03557	7.1
161.02455	2.8
161.04478	2.9
162.64093	2.4
201.04123	4.8
250.73761	2.7
293.59579	2.5
318.62469	3.7
334.38480	2.6
341.19446	4.2
361.16864	2.9
472.40097	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	457.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	4.6
58.75746	0.6
59.01379	5.8
61.07660	0.5
61.98827	6.3
69.68230	2.1
71.01405	1.3
73.02937	0.9
73.04072	7.3
76.31287	0.5
85.02956	1.0
87.05634	1.5
88.04050	0.7
89.02442	0.8
97.04097	2.7
98.02496	4.5
98.22569	1.1
99.00880	0.7
104.96581	0.5
112.15614	0.5
115.05140	22.8
125.10778	0.5
129.10361	5.4
130.08746	57.7
131.09067	1.3
139.08813	1.2
139.12447	0.6
140.10793	1.9
141.10356	1.1
143.11903	1.3
151.08800	1.1
152.07158	0.9
153.10352	0.8
155.11908	1.0
157.13474	23.2
158.13800	1.3
161.02423	1.2
166.08710	2.5
168.11409	3.2
169.09787	0.9
172.09778	0.5
179.11807	0.8
183.11404	3.4
186.12505	2.1
196.14409	0.7
200.14044	0.6
201.12453	8.7
209.17654	0.6
210.12560	4.3
211.10860	0.7
214.15630	0.7
228.13559	1.6
232.56024	0.5
238.15598	1.8
256.20242	0.7
270.21881	18.7
271.22299	1.5
292.20273	0.8
314.20828	1.5
320.88437	0.6
327.24026	6.1
371.23080	1.0
413.24066	100.0
414.24353	7.8
434.62747	1.4
439.25696	1.4
457.26688	12.2
458.27328	1.2
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
56.50643	1.3
56.79758	1.2
57.03453	2.3
59.01383	100.0
60.01719	8.7
61.37370	1.2
61.98836	42.6
71.01386	16.5
72.01738	2.3
73.02950	15.0
74.03292	2.3
78.52366	1.3
83.01405	4.7
85.02950	9.2
85.74813	1.2
85.93202	1.5
87.00909	1.8
89.02431	6.7
91.74363	1.2
101.02459	12.8
102.02823	1.7
112.18757	1.3
112.72246	1.4
113.02448	10.7
119.03509	1.7
131.03485	1.8
133.02991	1.8
135.04495	3.6
135.28796	1.3
147.02960	1.9
161.02466	3.4
161.04572	2.5
179.03596	3.2
213.02124	1.4
256.45398	1.5
366.98459	1.4
417.20840	1.8
459.17053	1.7
459.22531	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	458.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.3
59.85460	0.5
61.98835	100.0
63.15409	0.4
71.01389	4.9
73.02940	0.6
75.00882	0.5
83.01406	0.6
85.02958	4.5
87.00899	0.5
89.02460	2.8
93.88914	0.5
99.04542	1.2
101.02480	1.3
113.02441	1.1
115.00358	2.2
115.43144	0.4
119.03536	1.4
133.01456	1.2
135.04567	1.3
135.31488	0.4
147.03018	0.5
152.54070	0.4
161.02489	1.2
175.04082	0.6
179.03516	1.1
181.12300	0.9
182.12694	0.5
191.02025	1.1
225.11380	1.3
226.11588	2.6
238.63034	0.5
268.04059	0.6
279.16025	4.3
343.21323	5.3
431.08972	0.5
453.32028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13240	0.9
60.00909	75.3
83.00335	0.9
94.77247	0.8
147.08170	2.2
149.09677	1.8
151.93547	1.0
161.09821	1.2
163.11330	3.9
187.11320	2.8
199.33963	1.0
269.59985	0.9
272.29364	1.0
280.14694	1.4
306.59705	0.9
307.17096	1.1
309.22299	2.3
324.07779	1.0
337.21762	100.0
338.22098	12.1
349.65686	1.0
457.03986	0.9
458.23734	11.6
459.24191	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	459.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
69.82332	2.0
71.01385	5.3
73.02934	0.8
78.95913	58.1
83.01413	0.6
85.02956	1.2
89.02457	1.6
96.96062	9.7
96.96969	100.0
99.00887	9.5
101.02453	0.7
105.31750	0.5
113.02460	1.5
118.96637	1.4
119.03558	1.0
132.98149	0.6
135.04549	0.8
156.98199	1.9
160.97723	0.7
161.04620	0.8
162.77991	0.7
170.99779	2.0
172.97635	0.7
179.05560	1.0
181.05069	2.0
186.99237	0.9
198.99277	4.3
217.00359	1.7
237.00897	0.7
244.04124	0.6
279.02014	2.1
299.04453	0.8
356.10632	0.6
357.05035	2.3
399.06070	2.9
405.03265	0.7
459.08606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0938
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
55.01871	0.9
55.15081	0.6
57.03445	4.3
59.01382	50.1
65.00301	0.6
69.38506	1.1
69.38895	1.4
71.01384	17.9
72.99292	1.6
73.02962	4.3
75.00881	5.5
83.01373	2.2
84.02175	1.0
85.02958	27.9
87.00880	3.8
87.04500	0.8
89.02451	5.0
95.01396	7.6
99.00883	9.3
101.02435	5.3
103.00379	2.7
110.00088	3.4
110.17242	0.5
111.00893	1.8
111.79350	0.6
113.02457	37.0
114.02766	1.2
115.00441	1.5
117.01941	2.6
118.98080	1.2
119.01394	0.7
119.03523	1.2
129.01929	1.4
133.02957	1.4
135.04555	1.1
137.02415	0.8
137.99583	0.7
139.05547	0.9
143.03555	0.9
145.75911	0.7
152.99591	1.2
161.02412	2.2
161.04568	2.2
163.00378	11.6
165.99065	3.3
171.04507	1.1
172.05275	0.7
175.02483	7.4
179.03551	1.0
184.05231	2.9
191.02097	0.9
195.04526	0.8
196.05310	2.5
198.03252	2.7
205.92384	0.6
211.03947	1.2
212.04707	1.6
224.04771	1.2
239.03555	2.5
243.58488	0.6
267.02972	2.4
268.03781	100.0
269.04175	6.6
283.06131	61.1
284.06537	3.8
352.32382	0.7
391.63068	0.9
399.23734	2.7
417.25137	4.3
458.64282	0.9
459.19940	1.5
460.17307	2.1
481.59201	0.6
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
50.29468	1.4
53.09726	1.2
57.03450	1.5
59.01387	23.1
71.01390	14.5
71.38545	1.4
72.00913	15.8
73.02951	50.2
74.02482	19.9
78.95903	3.8
85.02949	9.2
85.66006	1.3
87.00877	1.5
88.46181	1.4
89.02465	18.5
96.97016	1.6
99.00885	5.3
101.02444	7.2
110.98515	1.7
113.02477	5.1
117.01954	100.0
118.02323	2.1
118.05117	85.4
119.03531	6.4
135.04568	1.5
143.03514	2.5
145.06244	2.4
147.02939	2.2
153.74759	1.5
161.02310	2.0
161.04565	2.8
179.05580	8.8
191.02010	3.9
209.02921	1.2
310.02731	1.4
339.05261	1.4
341.10886	25.1
341.89996	1.4
342.11417	2.3
354.65900	1.4
450.18011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48243	0.6
56.51282	0.4
56.67343	0.5
59.01379	8.9
62.34384	0.5
62.92144	0.5
70.18737	1.1
71.01399	4.3
73.02964	0.8
83.01418	0.5
85.02946	3.1
89.02455	3.3
101.02469	2.9
105.03465	0.6
113.02470	1.5
117.03468	1.6
119.03508	1.5
119.05024	0.5
132.02176	1.7
133.02969	32.4
134.03661	0.5
135.04544	15.8
135.06673	1.8
136.04840	1.1
140.64197	0.5
145.02977	1.0
146.90858	0.5
149.06046	0.6
161.02458	100.0
162.02789	4.5
177.05606	0.5
179.03529	7.7
180.03836	0.7
221.04576	1.1
281.06653	1.0
305.48141	0.7
377.61880	1.3
439.12088	0.6
458.64435	1.3
459.15100	89.8
460.15512	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	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17786	0.5
59.01387	3.4
61.98828	0.5
63.46378	0.5
69.14745	2.9
71.01384	17.6
81.71881	0.5
85.02932	0.5
98.22643	0.8
107.44012	0.5
109.33801	0.4
111.08153	0.5
111.82550	0.5
115.00379	12.9
116.00710	0.6
116.81528	0.4
133.01457	2.3
150.62584	0.5
165.12851	16.2
183.13913	68.0
184.14291	3.7
209.11926	1.2
227.12906	100.0
228.13213	5.9
343.14023	5.5
343.20923	0.9
459.15170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01814	3.8
56.41919	3.2
57.03452	4.5
59.01385	100.0
60.01708	3.5
61.98826	3.4
69.09904	23.6
71.01389	18.5
73.02957	8.0
73.12879	3.1
73.37126	3.0
75.00857	6.5
82.47536	3.2
83.05025	4.6
85.02959	23.3
89.02484	3.7
92.63191	3.2
95.01416	6.9
98.22630	6.0
99.00882	11.1
101.02423	7.2
103.00407	4.2
108.68848	3.1
111.43876	3.5
113.02464	38.4
115.00364	6.5
163.00354	9.5
165.12898	3.9
173.06326	3.1
175.02492	5.5
176.56735	3.1
183.13954	21.7
227.12921	32.1
240.04248	3.9
268.03763	66.7
283.06113	50.1
283.08997	4.3
283.13440	5.4
299.16574	26.8
317.17294	5.3
325.14423	5.6
343.15720	8.7
343.21188	6.9
361.16669	7.0
385.16428	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	459.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.7
59.01080	6.0
59.01386	100.0
61.98824	8.8
67.59969	3.1
71.01385	25.8
73.02960	10.4
83.05061	4.4
85.02945	15.6
89.02448	8.9
93.03465	9.1
98.22689	8.2
101.02448	11.8
105.65461	3.4
109.02927	6.2
111.04539	11.1
111.34789	3.3
113.02457	7.3
115.00385	7.0
133.02921	5.0
134.03842	4.0
135.04526	9.9
135.08240	3.4
137.02469	7.1
156.18385	3.7
161.02420	11.1
161.04526	4.5
179.03519	5.1
196.76288	3.2
197.11801	5.0
233.11777	5.5
247.13367	6.3
261.14911	5.5
293.13983	16.5
301.14349	4.8
327.15991	14.6
343.21259	41.8
345.17044	33.6
346.17438	4.1
405.19165	14.2
417.25089	3.8
441.04233	4.1
459.12433	4.8
459.17908	33.8
459.23480	5.0
460.18484	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03456	2.9
59.01385	100.0
61.98826	2.6
69.05466	6.1
71.01387	45.6
72.99313	2.2
73.02941	3.2
83.01409	1.3
83.05037	1.3
84.57809	0.8
85.02953	11.4
87.00889	1.8
89.02451	61.9
95.01389	3.4
99.04523	16.4
101.02454	23.9
105.48257	0.8
110.13947	0.8
113.02460	18.7
119.03510	29.0
124.16822	0.7
131.03506	3.4
133.02946	2.5
134.88321	0.9
135.04526	10.2
135.08174	2.2
135.11809	1.2
143.03494	4.8
149.04575	2.0
159.05261	0.8
161.02470	10.2
161.04530	4.6
161.13353	1.1
170.17215	0.8
173.13362	1.1
179.03442	1.8
179.05612	8.1
191.02031	1.3
191.14423	3.1
199.14880	1.1
217.16042	1.5
235.13397	11.9
235.65974	0.9
236.13564	0.9
261.14981	1.1
279.16040	28.5
280.16495	1.9
290.42764	1.0
323.07654	1.7
338.10150	1.0
343.21283	1.3
459.13477	2.1
459.22192	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.00591	1.8
59.01385	100.0
62.40120	0.7
70.11205	0.9
70.11516	1.6
71.01386	43.4
72.99284	1.1
73.02950	1.6
82.11161	0.8
83.01398	1.7
83.05038	1.4
85.02959	10.1
87.00896	1.8
89.02450	61.9
90.02804	1.1
95.01390	1.9
99.04527	20.3
101.02449	23.7
113.02461	20.0
113.37933	0.9
119.03516	24.3
131.03508	2.4
135.08162	2.7
143.03532	3.8
149.04570	1.8
161.04585	3.1
161.13365	1.4
173.13333	1.3
174.13426	0.8
179.05608	8.9
191.14426	3.3
199.14961	1.6
230.81133	0.8
234.72083	0.8
235.13383	11.7
235.16960	1.0
236.13794	1.5
279.13174	1.7
279.16040	22.2
280.16531	1.2
346.24637	0.9
400.91971	1.0
448.97729	0.9
459.22513	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17122	0.5
51.63382	0.4
55.01878	1.1
57.03446	2.0
58.00590	1.3
59.01385	92.9
60.01702	0.8
60.69042	0.5
61.62614	0.5
61.98839	0.9
66.37449	0.5
69.21083	1.3
69.21490	1.5
71.01390	41.8
72.01788	0.9
72.02171	2.7
72.99320	1.5
73.02951	6.3
83.01388	1.5
83.34375	0.5
85.02958	10.0
87.00899	1.5
87.04516	5.5
89.02454	46.7
95.01392	2.7
98.03761	1.7
99.04527	21.9
100.04874	0.8
101.02454	20.7
101.03122	1.1
113.02465	14.9
119.03519	20.9
125.06070	0.8
127.07710	0.7
131.03514	1.9
135.08180	2.4
139.07713	1.1
143.03531	3.3
148.52321	0.5
149.04604	1.9
161.04587	2.8
179.05621	6.7
181.95271	0.6
191.14343	1.1
193.12347	0.7
207.13977	1.4
217.16029	1.0
235.17105	4.5
265.02783	0.6
279.16034	100.0
280.16367	7.0
323.76746	0.6
351.13028	0.5
423.16519	3.3
459.22446	6.8
460.22617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
69.31461	2.0
78.40901	0.3
78.95908	9.8
80.72174	0.3
105.35558	0.4
110.98539	5.4
125.00108	0.5
132.09930	0.4
152.99615	0.7
167.01160	3.5
181.02686	0.9
185.02205	3.5
248.84712	0.5
257.58411	0.4
277.21744	7.7
291.23318	100.0
292.23639	6.9
403.87170	0.4
450.92221	0.4
459.25156	9.3
460.25574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30737	1.4
70.31078	1.8
78.95913	11.0
97.39156	0.8
110.98535	5.7
125.00101	1.6
132.72275	0.9
143.13724	0.9
148.15749	0.9
152.99599	1.0
167.01204	4.7
185.02203	3.5
199.03685	1.5
201.10493	0.9
258.86194	0.9
265.45776	1.0
277.21738	33.2
278.21991	2.2
291.23315	100.0
292.23663	8.1
459.25183	12.1
460.25513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
69.31318	2.3
78.95907	10.3
79.88045	0.6
110.98546	6.8
125.00132	1.1
152.99684	1.3
157.03604	0.6
167.01125	3.4
181.02695	1.1
185.02179	3.9
277.21762	10.6
278.22119	1.2
279.01672	0.6
291.23318	100.0
292.23679	9.0
459.25241	9.5
460.25616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03463	1.1
59.01385	100.0
60.01725	1.4
61.98837	2.8
62.50056	0.6
63.59953	0.5
69.16258	0.5
71.01386	12.8
71.01745	0.9
73.02956	5.2
74.55656	0.6
80.73271	0.6
83.01426	2.3
85.02958	7.5
87.00867	1.5
87.04546	0.8
89.02443	4.0
95.01409	1.4
98.21809	1.4
99.00929	1.7
101.02457	10.8
101.03101	0.8
111.00913	1.1
113.02443	6.9
119.03532	1.8
123.00994	0.7
143.03529	1.0
160.64139	0.6
161.04610	4.2
165.09241	1.7
169.12421	0.6
169.43163	0.6
173.71704	0.5
179.05685	0.8
211.35219	0.6
251.58263	0.7
399.23907	10.0
400.24414	1.1
417.24982	9.5
417.29514	0.7
418.25491	1.0
458.64407	0.7
459.22043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03458	0.8
57.96851	0.2
58.00613	0.4
59.01384	100.0
60.01717	1.0
61.98811	0.4
67.42222	0.2
69.03474	0.3
69.69577	0.8
71.01392	9.5
71.05056	0.3
72.99324	0.3
73.02952	3.0
75.00886	0.4
81.42649	0.2
83.01394	1.3
83.05035	0.5
85.02961	4.3
87.00904	0.6
87.04546	1.1
89.02464	3.2
95.01416	0.9
97.02985	0.4
98.22563	0.3
99.00896	1.1
99.04569	0.2
101.02450	6.4
101.06081	1.8
110.10199	0.2
111.00906	0.5
111.04517	0.3
113.02451	5.1
115.00397	1.7
119.03522	1.4
125.02502	0.7
129.02005	0.3
133.01434	0.3
135.04570	0.3
143.03551	0.7
161.04590	2.2
163.00475	0.3
165.12872	0.7
177.73268	0.2
179.05652	0.5
183.13928	4.8
210.83444	0.2
211.13448	0.4
227.12906	6.2
228.13348	0.4
255.19734	1.0
268.03821	3.2
283.06189	2.2
294.53918	0.2
297.20740	0.8
299.16583	0.8
305.63770	0.2
325.14502	0.3
327.16385	0.3
343.14743	0.4
343.21133	1.7
396.47882	0.2
399.23895	3.5
400.24197	0.5
417.24988	4.5
443.02585	0.3
459.94632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03459	0.5
59.01383	100.0
60.01720	0.8
69.03466	0.2
69.19928	0.5
69.20351	1.1
71.01389	6.5
73.02945	1.9
80.24161	0.2
83.01392	0.8
85.02955	4.3
85.03410	0.4
87.00912	0.3
87.04542	0.9
89.02443	1.6
95.01408	0.8
96.24231	0.2
99.00911	1.1
101.02431	3.1
113.02456	6.9
119.03524	0.7
125.02464	0.3
139.41499	0.2
145.18112	0.2
159.03055	0.7
159.38232	0.2
161.04547	2.8
255.19722	0.4
343.21466	0.7
399.23862	5.6
400.24515	0.6
417.25000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01884	0.9
57.03451	1.6
59.01384	100.0
60.01722	1.1
61.98839	0.9
71.01389	19.6
71.51449	0.3
72.99313	0.5
73.02953	7.2
75.00890	0.6
78.95932	0.7
83.01399	2.5
84.80440	0.4
85.02957	10.1
87.00905	1.2
87.04538	1.4
89.02450	6.6
93.03484	1.6
95.01417	1.2
97.03001	0.5
99.00890	1.7
101.02454	12.2
111.00888	0.8
113.02467	7.3
113.03255	0.4
118.98148	0.7
119.03497	1.9
122.88244	0.4
125.02489	0.8
129.02028	0.7
131.03542	0.6
135.04585	0.6
143.03531	1.2
147.03049	0.5
152.99620	0.6
159.03093	1.0
161.02545	0.5
161.04576	6.8
179.05650	0.7
191.02086	1.6
213.05760	0.7
231.53282	0.4
255.19849	0.9
279.19675	0.5
297.17462	0.4
369.22995	0.5
381.22861	4.0
399.23926	6.0
400.24405	0.6
417.24985	10.1
418.25623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03445	0.8
58.00603	0.5
59.01384	100.0
60.01726	1.0
61.98837	0.4
71.01385	15.2
72.01713	0.6
72.99332	0.5
73.02953	5.6
73.45260	0.4
74.46062	0.4
75.00882	0.4
83.01379	2.0
85.02963	7.2
87.00890	0.9
87.04536	1.6
89.02454	5.7
95.01408	1.7
97.03025	0.5
99.00904	1.3
101.02447	10.8
101.06074	2.5
111.00911	0.7
113.02457	7.6
118.98082	0.5
119.03493	2.6
125.02441	0.6
135.04578	0.5
143.03568	0.7
149.04576	0.5
159.03024	0.6
161.04555	5.6
161.05693	0.5
179.05684	1.1
255.19823	0.5
279.19766	0.7
297.11374	0.5
297.20782	0.6
303.54672	0.4
340.08066	0.4
342.65848	0.5
381.22925	2.8
399.23886	4.2
400.24356	0.5
417.24936	7.6
418.25439	1.0
428.52353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
71.08265	0.6
76.58792	0.4
78.95927	0.7
93.83469	0.4
107.05035	32.5
108.05348	1.1
110.98572	0.9
147.08159	0.5
152.22514	0.4
163.11296	100.0
164.11641	4.4
253.85449	0.5
280.14801	0.7
283.17050	18.5
284.17313	1.3
295.13895	0.8
295.17035	10.9
296.17462	0.9
326.64758	0.5
365.41602	0.5
459.29065	64.9
460.29370	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	460.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.9
55.52929	1.5
59.01380	2.4
61.98830	2.3
70.54219	1.9
70.84686	2.0
71.05016	3.8
71.43888	1.7
75.87339	1.5
83.01392	4.0
96.04564	12.8
98.06140	7.4
98.22063	2.0
120.01228	2.1
126.05622	100.0
127.05963	2.6
128.40982	1.6
143.95009	1.8
170.04631	3.6
204.03372	79.7
228.07928	9.1
243.10229	3.0
279.21606	1.8
302.75949	1.7
354.92041	2.1
484.03156	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	460.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46891	1.3
59.01383	8.3
70.99648	1.8
71.01388	5.4
72.00913	16.6
74.02476	26.3
76.66151	1.3
78.95894	6.7
85.02976	1.2
89.02453	8.0
96.96973	11.6
98.03170	1.2
101.02453	2.5
113.02432	2.7
114.05588	2.6
118.05116	100.0
119.03505	4.2
119.05479	1.5
142.08421	1.3
161.04602	1.9
179.05644	3.6
197.29276	1.2
203.32787	1.4
217.96347	1.3
231.67854	1.4
252.67700	1.3
253.87932	1.3
283.14594	1.4
341.10907	11.3
359.76016	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	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62660	4.5
59.01382	38.6
61.98824	13.2
71.01385	39.6
73.02960	16.9
83.01392	6.2
85.02962	16.5
89.02467	17.4
95.01401	4.9
101.02442	27.3
102.69234	4.4
113.02498	13.4
119.03471	6.3
143.03482	4.6
159.03030	5.4
161.04634	27.8
179.05551	5.4
254.27870	4.4
295.39832	4.3
417.24960	100.0
418.25278	13.5
450.95871	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	460.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	29.4
59.07534	18.7
66.24364	21.3
69.14715	39.2
69.15115	99.8
98.90546	24.0
105.88863	20.9
109.70111	19.6
110.51063	20.1
112.26299	21.5
120.03342	25.6
135.44800	23.9
203.04478	21.7
255.23358	100.0
269.24933	34.3
290.85956	24.5
338.10233	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	461.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21346	0.3
56.08376	0.3
57.03444	0.5
59.01383	3.9
62.20687	0.2
65.00318	0.6
67.01886	1.0
68.99828	0.5
69.12382	2.1
71.01395	2.9
72.99312	0.7
73.02951	0.7
75.00864	0.8
83.01397	0.4
85.02949	3.9
86.02480	0.6
87.00880	1.3
89.02457	0.5
93.03459	4.1
95.01398	1.2
97.02972	0.3
99.00900	1.3
100.37569	0.3
101.02445	0.3
103.00367	0.4
111.00877	0.5
113.02451	5.6
115.00387	1.1
117.01929	0.5
117.03447	1.5
119.05019	0.8
120.01258	0.5
123.00870	0.5
127.08804	0.4
128.03546	4.0
130.23285	0.3
133.02948	0.9
135.00893	0.3
135.04521	0.7
136.98856	0.9
137.01448	0.6
137.02464	8.7
138.02846	0.3
139.00398	0.9
143.05038	0.8
145.02940	1.9
156.05792	0.3
157.06584	0.4
159.04564	0.4
161.02463	2.7
163.00342	0.9
163.11234	0.3
164.01086	0.4
165.01915	0.8
166.99776	0.4
167.05074	0.5
169.06575	0.9
171.04512	2.3
171.07726	1.6
175.02521	1.7
185.06062	2.2
187.04042	4.2
189.05496	0.5
190.99844	0.5
192.00662	1.0
195.04541	0.4
197.06053	0.8
199.04063	0.5
207.10254	1.3
211.03972	0.8
213.05594	6.8
214.05943	0.7
215.03549	1.6
217.05142	0.3
223.03821	0.4
225.11374	0.8
229.05057	2.3
231.04468	0.4
239.03493	1.1
240.04306	0.5
241.01395	0.3
241.05072	3.2
242.02155	0.3
249.05469	1.8
255.03157	0.7
256.03754	0.7
257.04538	1.3
270.01761	0.4
271.02313	0.4
271.19449	0.3
283.02515	1.1
284.03366	2.7
285.04056	100.0
286.04407	6.8
298.01068	0.4
299.01926	0.5
323.07690	1.5
345.22845	1.4
399.07248	0.8
409.84702	0.4
461.00766	0.5
461.07266	9.7
461.13428	0.3
461.20346	0.7
462.07840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70032	0.6
52.92118	0.6
59.01377	6.6
63.71122	0.4
65.31896	0.4
70.44588	0.9
71.01390	8.3
72.99321	1.3
74.59876	0.5
78.95911	58.7
83.05031	1.2
83.26431	0.5
85.02944	3.8
89.02455	4.4
90.97173	0.5
93.03468	1.1
95.01417	0.5
95.05012	0.7
96.96052	17.3
96.96968	100.0
97.02969	2.2
99.00888	32.8
101.02449	2.0
107.07360	0.5
109.12381	0.4
113.02454	1.9
118.96638	2.4
119.03519	1.9
119.05061	1.0
125.02448	1.5
132.98241	0.8
137.02515	3.3
137.06096	0.7
139.04018	1.3
144.98195	0.7
146.96138	0.7
156.98138	1.1
157.73567	0.5
158.99776	2.6
160.97716	1.7
165.05615	1.3
168.98207	1.6
170.99823	0.6
179.05605	1.7
182.99751	0.9
183.06668	1.7
184.97687	2.1
185.01434	0.8
196.97697	1.2
197.01396	0.6
198.99107	0.6
199.02908	2.0
201.00772	1.2
201.07690	1.4
202.98759	1.0
210.99290	0.7
211.02951	0.5
213.00854	0.9
214.98758	0.6
217.00378	0.8
222.99384	0.6
225.00754	2.7
227.02441	1.3
237.00764	1.1
238.98807	0.6
239.02402	0.7
243.01727	0.5
255.01935	10.0
255.31607	0.5
259.01373	1.1
263.02383	0.6
272.99365	1.2
281.03503	7.9
285.02911	2.0
297.03027	0.9
299.00922	1.5
299.04404	0.6
299.11392	3.0
345.04990	2.0
357.05084	0.8
363.13110	2.5
401.07715	7.8
402.08029	0.9
417.07303	0.9
437.39105	0.6
461.09787	8.7
462.10193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33391	0.4
55.01866	0.7
55.22833	0.4
57.03452	0.8
58.59053	0.4
59.01385	8.5
61.98828	1.1
64.74988	0.5
69.03478	0.5
71.01392	4.5
71.42452	0.4
72.99309	1.0
73.02951	1.4
74.02460	0.4
75.00880	1.0
78.01105	0.8
82.67126	0.4
83.01399	1.3
83.05068	0.4
85.02953	8.0
86.02481	1.5
87.00861	1.4
88.98794	1.5
89.00331	1.7
89.02462	1.7
91.01902	1.0
93.03471	1.1
95.01381	0.5
99.00881	1.0
101.02431	1.5
106.00615	1.6
107.05085	0.5
109.06605	1.2
111.00893	1.1
113.02457	1.3
115.00378	1.3
117.03472	3.7
117.15490	0.5
119.03616	0.5
119.05042	13.1
120.01300	2.0
120.05351	0.7
121.02967	35.8
122.03250	0.5
123.00882	2.0
124.04082	0.7
127.00325	0.5
127.05143	0.7
127.08775	1.9
128.02592	0.8
128.03546	15.8
129.01956	0.9
133.02959	1.9
135.03006	1.3
135.04553	3.0
136.98817	0.6
137.02446	1.7
138.03227	3.7
139.04022	0.6
145.02960	16.8
146.03329	0.7
147.02983	0.7
153.05591	27.6
153.06636	1.0
154.05931	1.0
161.02448	4.2
163.04018	16.6
163.11299	0.8
164.04381	0.5
166.99872	1.6
171.07762	4.6
179.03502	2.0
182.02235	3.6
191.02020	3.4
197.04567	100.0
198.04910	4.3
207.10283	4.3
211.13356	0.6
215.03442	0.5
215.06752	0.6
219.06596	2.7
225.11365	3.6
231.04443	1.5
241.01443	2.6
242.02148	1.6
245.00961	0.7
249.05518	8.8
253.09465	0.7
270.01785	3.2
271.02466	1.6
281.06772	1.0
285.04080	7.8
286.04617	0.6
290.10202	0.5
296.09192	0.5
297.06042	1.4
298.01266	0.7
299.02020	2.6
313.12003	1.1
315.07233	9.5
323.07806	1.2
329.15744	0.5
344.21451	0.7
345.15802	0.7
345.22797	2.6
446.15094	1.0
461.07300	4.7
461.20032	1.2
462.07700	0.8
462.14490	0.8
462.21063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56557	0.2
59.01381	1.7
61.98829	0.7
65.03973	0.5
71.01392	1.4
73.02952	0.6
83.01395	0.3
85.02942	1.1
86.02473	0.4
93.03465	47.1
94.03794	1.6
96.96961	0.5
98.21822	0.6
101.02434	0.6
111.16041	0.3
113.02467	0.8
114.77496	0.3
120.01234	0.5
127.08755	0.6
128.03560	4.3
132.02190	0.4
133.02963	8.2
134.03679	0.3
135.04543	6.0
136.04803	0.3
137.02455	100.0
138.02789	3.4
149.06081	0.9
161.02458	23.9
162.02811	1.1
166.49030	0.3
171.07793	1.2
177.05580	2.0
179.03500	4.6
186.03331	0.3
203.03535	0.3
215.06711	0.3
221.04655	1.7
225.11365	0.3
241.01398	0.5
249.05450	2.4
255.03091	0.3
259.09772	1.3
263.05411	0.3
270.01685	0.7
271.02448	0.5
283.02335	0.5
297.03976	0.4
299.02176	0.6
299.07825	2.5
323.07739	21.1
324.08075	1.9
345.22443	0.5
375.09048	0.3
417.11765	0.7
461.11362	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70039	0.8
59.01387	9.1
60.99306	1.7
61.98832	1.0
70.51654	1.6
71.01389	3.8
71.51095	0.8
72.99299	0.9
73.02982	1.0
75.00868	1.6
80.91679	1.4
81.95233	0.9
85.02975	2.3
88.98817	13.3
89.00347	2.4
89.02478	0.9
93.03461	22.0
94.33022	0.8
99.00922	1.0
101.02441	1.8
106.00600	2.4
111.04468	1.3
117.03495	3.7
117.11246	1.0
119.05038	11.6
121.02968	46.1
122.03341	2.4
123.00915	1.9
127.41668	1.1
131.41699	1.1
131.75726	1.0
133.02969	4.8
135.03003	4.4
135.04550	9.4
137.02466	41.3
138.03220	4.9
145.02974	20.0
153.05592	32.6
154.05946	1.5
161.02455	13.8
163.04025	12.6
179.03481	8.3
182.02225	3.1
197.04567	100.0
198.04924	2.7
205.05315	1.1
207.10219	1.3
219.06673	1.4
221.04477	1.2
225.11313	2.2
241.01477	2.5
242.02271	1.8
245.00958	1.4
263.05627	13.6
263.70059	1.1
270.01733	3.0
271.02408	1.6
293.13986	1.3
299.02057	1.8
299.09412	6.2
315.07236	24.7
316.07660	1.8
323.07733	10.5
327.16104	1.0
345.16913	3.1
345.22925	1.2
401.67328	1.1
437.89478	1.4
461.07281	3.1
461.14001	2.1
462.08350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
60.99864	0.8
71.01389	2.5
71.28003	0.7
75.00867	1.4
78.01109	2.3
78.95900	0.9
80.00166	0.7
81.28565	0.7
85.02938	1.4
89.00333	3.1
89.02401	0.7
91.01895	0.9
93.03477	1.0
95.01397	1.2
96.96007	0.9
96.96963	2.1
99.00887	1.2
101.02454	0.8
106.00647	3.8
106.62630	0.7
108.02274	0.8
113.02467	1.0
117.03467	10.4
118.04292	1.3
119.05040	18.0
120.05396	1.0
121.02968	51.8
122.03333	1.6
123.00875	4.4
128.03551	1.1
131.05017	1.4
135.02977	2.6
135.04541	1.3
138.03238	5.3
145.02963	61.5
146.03337	3.1
147.04495	1.0
153.05586	36.0
154.05917	1.0
159.04457	1.1
161.02515	0.9
162.03082	0.7
163.04036	15.7
166.99896	2.7
175.03966	0.8
179.03503	1.0
182.02228	7.4
197.04561	100.0
198.04900	4.2
203.03442	3.6
207.10246	1.8
209.01495	0.8
219.06625	4.8
225.11397	0.9
241.01346	2.2
242.01959	1.5
263.05621	41.0
264.05972	2.2
270.01541	1.1
271.02362	1.9
290.35141	0.8
299.02164	1.5
315.07208	19.4
316.07510	1.7
461.07281	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	461.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.41714	0.8
57.03442	1.2
59.01373	7.0
61.75520	0.7
61.98830	3.0
71.01384	5.1
73.02971	2.0
80.91689	16.9
85.02964	2.8
89.00348	2.4
89.02468	3.4
91.01900	1.2
98.56017	0.9
99.00904	2.7
101.02430	1.7
106.00616	3.1
113.02455	2.3
115.00407	1.5
117.03469	14.5
119.03548	0.9
119.05037	12.3
121.02965	46.0
122.03318	1.4
123.00884	3.8
128.03552	3.3
133.02975	3.9
135.03032	0.8
135.04533	2.4
138.03241	6.1
145.02965	100.0
146.03288	2.9
153.05583	31.6
155.10793	2.4
161.02457	9.9
162.02812	1.1
163.04018	9.6
163.11310	1.3
166.99886	1.1
179.03497	2.8
181.12366	1.4
182.02245	5.3
197.04561	85.9
198.04890	3.4
199.09795	3.1
207.10246	5.6
219.06619	20.2
220.07039	1.4
225.11378	10.6
241.01448	3.2
242.02112	2.9
243.02730	0.8
243.12424	1.9
249.05420	2.0
270.01746	4.2
271.02264	2.0
281.17606	4.9
298.01337	1.4
299.01938	3.1
315.07346	6.5
323.07831	1.5
327.60031	0.8
333.22119	0.9
345.22900	1.6
359.33353	1.1
461.06821	4.1
461.14478	3.3
461.19824	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	461.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
60.51148	0.2
66.59060	0.2
67.47117	0.2
69.10880	1.1
69.11285	0.6
71.01384	3.0
73.61002	0.3
85.02955	0.9
89.02444	1.9
101.02474	1.3
105.03451	0.6
113.02461	0.9
117.03493	1.3
119.03540	0.5
119.05030	1.6
123.04513	0.3
132.02176	1.7
133.02969	35.6
134.03658	1.5
135.04539	8.7
136.04889	0.3
137.02451	4.1
137.06046	0.4
161.02455	100.0
162.02812	3.5
177.05640	0.5
179.03494	3.9
201.11418	0.3
207.10262	0.4
221.04579	0.3
225.11380	0.7
241.01370	0.7
242.02089	0.4
270.01782	0.5
271.02539	0.6
281.06693	0.5
299.02106	0.5
299.07727	1.0
323.77020	0.3
345.22928	1.2
461.14566	63.2
462.14902	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1459
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.73779	0.8
55.45687	0.9
59.01381	10.3
61.98812	1.1
64.26798	0.7
66.62219	0.7
69.22465	5.2
71.01385	17.7
77.83781	0.8
82.03085	0.8
85.02953	3.1
87.13661	0.7
107.04941	0.8
115.00383	14.9
121.02955	1.8
133.02983	13.7
134.03758	36.6
135.04546	47.8
136.04863	1.6
137.02446	11.8
139.03996	3.2
146.98894	0.7
150.03244	1.1
161.02461	30.3
162.02716	1.5
163.76147	0.8
165.09206	1.5
178.02731	8.0
179.03511	66.9
180.03839	1.8
183.10257	5.3
189.84261	0.9
194.78436	0.9
241.01410	1.8
249.14919	3.9
257.15378	0.9
261.14935	3.4
271.02524	0.9
271.13397	1.6
301.14832	1.7
301.18073	4.1
314.15347	1.6
329.17526	3.3
335.14932	1.4
345.13434	100.0
346.13739	10.0
347.18576	9.8
390.15918	0.8
461.07443	1.1
461.14508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01126	0.4
59.01387	5.5
61.98824	1.0
63.88630	0.3
71.01391	11.3
71.42220	0.3
73.02954	0.3
76.69031	0.3
83.05065	0.7
85.02959	0.9
89.02462	0.5
91.24384	0.3
98.02465	0.4
99.00880	0.5
101.02438	0.5
113.02423	0.5
115.00384	9.5
124.04056	16.3
133.01450	2.1
133.02991	0.4
135.04549	0.4
139.11269	0.3
139.51454	0.3
161.02454	0.6
165.12843	0.4
167.14435	15.1
168.14790	0.6
183.13902	0.3
185.15462	0.5
210.07738	4.5
211.13414	22.9
212.13704	0.8
225.14961	0.3
229.14459	100.0
230.14810	5.5
241.01299	0.5
242.02345	0.4
249.04111	0.3
261.15057	0.8
270.01678	0.6
285.03998	0.6
299.02057	0.5
343.18948	0.4
345.15555	5.2
346.16351	0.5
387.17712	0.4
389.49628	0.3
405.19363	0.6
425.58524	0.4
461.07120	0.8
461.16443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
56.37979	0.5
57.03455	3.9
58.00614	0.8
59.01385	65.6
60.01720	0.5
61.98848	0.7
62.25278	0.5
67.01897	1.7
68.99823	0.6
69.03463	51.8
70.03797	1.0
71.01389	100.0
72.01705	0.9
72.99316	1.9
73.02955	19.2
75.00893	1.0
79.01914	0.5
81.03470	4.2
83.01397	8.6
84.02188	0.6
85.02959	33.1
86.03293	0.7
87.00886	3.2
89.02453	66.4
90.02718	0.6
93.03470	7.4
95.01393	5.1
95.05031	1.2
96.96040	2.8
97.02961	21.7
98.21913	1.1
99.00884	5.9
99.04523	0.6
101.02451	37.9
103.03971	0.6
106.04234	0.6
107.01380	0.6
108.02158	0.9
109.02947	0.7
111.00922	1.1
112.93397	0.5
113.02464	33.7
114.02807	0.6
117.97315	0.7
118.98114	0.6
119.03520	2.9
119.05026	1.2
120.99679	0.8
121.06615	2.5
123.04540	12.6
125.02463	23.9
126.02792	0.8
127.03954	0.7
129.01936	1.5
131.03514	18.0
133.02940	1.5
133.06584	0.6
134.03772	0.7
135.04546	8.0
135.08179	0.6
137.01456	0.8
137.02457	9.9
139.04094	0.7
143.03555	6.0
149.04536	21.2
149.06026	4.6
149.07150	0.6
159.03036	4.4
161.02397	1.9
161.04575	44.7
162.04811	0.8
165.00681	0.5
165.31717	0.5
167.07150	22.2
167.08595	1.2
168.07454	0.7
173.04454	1.0
179.03513	3.1
191.01894	0.6
191.05630	8.5
191.07256	0.4
205.03488	0.5
233.06656	6.8
253.33910	0.5
263.17844	0.6
269.10156	1.2
293.08826	23.7
294.09052	1.4
329.12408	6.1
419.06152	0.6
442.02493	0.5
447.44867	0.5
461.16605	15.7
462.16983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
57.67878	0.9
58.29701	1.2
59.01382	59.1
69.41024	4.9
71.01385	50.1
72.99298	1.1
73.02950	8.1
73.14443	1.2
83.01398	3.1
85.02953	31.8
86.52658	1.0
87.00877	3.8
89.02451	42.0
93.03444	1.5
95.01403	9.5
97.02969	2.2
99.00836	2.4
101.02445	28.5
105.73694	1.3
111.45573	1.2
113.02460	49.6
119.03510	13.3
119.05016	8.0
123.04549	2.1
131.03491	4.3
135.04538	22.4
137.02451	2.7
139.07733	1.5
143.03503	3.0
145.68829	1.2
149.04556	1.7
161.02448	5.5
161.04550	12.6
179.05626	16.9
221.06696	7.2
231.00429	1.1
239.12910	1.3
299.11359	9.8
315.10889	3.3
341.08817	2.3
401.18188	1.8
461.16693	100.0
462.16943	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
56.85559	1.3
57.03454	3.1
59.01385	100.0
62.94708	1.2
71.01387	77.9
72.99328	3.1
73.02940	11.5
74.41753	1.2
75.00894	1.4
82.28439	1.3
83.01377	8.0
85.02956	26.4
87.00888	8.1
89.02455	66.1
93.03498	1.7
95.01395	7.3
96.00938	1.5
96.96026	2.2
97.02966	2.0
99.00899	1.9
101.02454	51.7
113.02464	40.7
113.03260	1.6
115.00405	1.6
119.03529	28.0
119.05029	26.8
128.03520	1.5
131.03508	9.4
131.04520	2.6
135.04512	2.2
137.02464	2.2
137.06136	8.6
138.05630	2.8
138.93091	1.2
143.03526	8.4
149.04568	2.1
159.03040	1.9
161.02536	1.8
161.04576	18.2
179.05638	29.8
197.04533	1.7
221.04538	1.5
221.06682	31.1
263.03824	1.4
263.07611	8.4
285.04034	3.8
299.11386	37.6
299.15305	4.0
300.11786	1.7
317.16519	2.5
415.74847	1.4
461.16699	69.7
462.17014	5.0
462.21671	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	461.1668
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
50.89914	0.7
55.01875	0.9
57.03460	3.3
59.01383	26.7
61.98829	1.0
63.16258	0.6
65.74298	0.6
67.01911	0.8
69.90995	1.6
71.01390	33.3
73.02973	1.6
83.01382	1.4
85.02958	34.0
86.03278	0.8
87.00863	1.3
89.02451	13.9
93.03454	1.7
95.00820	1.3
95.01395	14.0
101.02446	5.8
103.04002	1.0
109.68125	0.8
113.02457	70.8
114.02808	1.2
119.03489	3.0
120.01262	5.9
121.01584	1.0
123.04520	3.1
131.03534	0.7
135.04538	48.1
137.02449	3.1
141.79926	0.7
143.03534	2.1
153.05565	2.6
161.03676	0.6
161.04607	7.0
173.86266	0.7
179.03622	0.9
179.05653	0.6
220.23950	0.7
231.15527	0.8
296.67197	0.8
297.09750	2.0
315.10965	6.5
332.68597	0.7
390.91409	0.7
400.07343	0.7
461.16690	100.0
462.17038	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54065	2.7
55.01883	5.1
57.03440	3.4
59.01383	75.9
62.15323	2.9
63.01909	2.8
69.03449	8.0
71.01386	91.9
71.37765	2.9
72.99296	2.8
73.02946	25.4
75.00888	3.9
83.01391	15.2
84.78476	2.8
85.02956	49.6
87.00901	4.3
89.02456	21.4
95.01407	4.4
97.02966	4.0
99.00882	10.3
101.02451	55.4
113.02464	35.1
115.00393	16.1
115.92094	4.2
125.02463	3.3
137.02478	3.1
143.03508	4.2
145.01500	3.8
159.02950	6.0
161.04547	26.9
191.01944	6.4
225.11359	3.5
269.10330	100.0
270.10776	5.5
293.08786	4.0
339.23605	3.1
340.98679	3.2
345.11316	4.1
345.15518	47.8
346.15945	4.4
387.16504	8.0
401.14502	51.7
402.14676	5.2
461.08746	4.5
461.15643	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03430	0.6
59.01383	40.2
60.01723	0.5
69.22926	0.5
70.39046	0.9
71.01386	30.5
72.01733	0.5
73.02952	1.1
78.15475	0.4
83.01395	1.5
84.36063	0.5
85.02945	4.3
85.45882	0.5
87.00912	0.8
89.02448	16.2
95.01390	1.3
101.02454	12.3
102.02767	0.5
113.02470	6.1
115.00383	11.6
117.41717	0.5
119.03493	4.6
120.51181	0.4
120.95950	0.5
121.10262	0.6
132.04553	0.7
161.04529	0.5
163.21056	0.5
165.09229	6.2
345.15543	100.0
346.15927	7.4
461.16757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
58.00602	0.8
59.01385	45.2
68.72540	0.7
69.16006	3.6
70.05798	0.6
71.01387	33.0
72.01730	0.6
73.02963	1.9
83.01393	2.0
85.02972	5.2
89.02457	20.2
95.01395	1.3
98.13306	0.6
98.22620	1.4
101.02443	13.4
113.02459	6.0
115.00385	11.5
119.03500	6.7
121.10265	1.3
130.96233	0.8
149.04617	0.8
165.09218	8.1
166.09628	0.8
168.71643	0.7
183.10326	1.4
345.15567	100.0
346.15921	7.8
461.16693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.0
59.01382	90.1
61.98835	7.0
69.03445	3.4
71.01394	12.0
71.05009	3.3
83.05056	3.4
85.02954	28.3
95.05045	8.6
97.02945	16.9
97.06622	5.4
99.04549	11.1
109.06631	5.0
115.00417	3.8
121.02929	6.1
126.29876	2.7
129.71257	3.1
133.02992	5.7
134.03741	12.0
135.04579	17.4
137.02473	7.2
151.07677	6.5
161.02412	13.8
165.09229	7.0
177.09337	3.6
179.03522	20.7
193.08734	5.4
195.98340	2.8
197.04547	4.6
207.10263	4.6
207.13911	7.1
219.10205	3.8
220.25121	2.8
225.11371	3.4
231.13979	9.6
233.11911	3.7
234.12689	5.3
241.01544	6.1
242.02144	4.4
246.12556	6.9
249.14920	25.5
255.10492	3.2
259.13513	4.5
261.14987	44.6
268.14734	8.3
270.01770	12.1
271.02362	5.7
271.13370	24.3
280.28534	3.0
283.16949	4.9
285.14969	5.0
286.15851	3.9
296.14197	4.3
298.01175	3.5
299.01855	6.6
299.13022	4.0
301.18143	34.1
302.18451	4.4
303.15921	3.7
311.16620	6.0
314.15323	13.1
316.93198	3.2
329.17612	41.6
335.14963	12.2
345.13388	28.8
347.18634	100.0
348.18906	9.1
363.18283	4.8
407.20386	5.3
443.18533	3.6
458.83292	3.0
461.07294	10.2
461.19672	4.8
486.55270	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	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03450	3.0
59.01384	93.7
60.01725	1.0
61.98836	0.8
71.01387	45.6
72.01724	0.8
72.99327	2.4
73.02953	27.3
81.03457	0.8
83.01400	2.4
83.28229	0.6
85.02956	12.8
87.00894	1.5
87.04522	0.9
89.02452	48.9
95.01396	3.6
99.04526	22.6
100.04890	1.0
101.02448	23.2
107.05029	1.3
113.02457	17.7
114.01260	0.6
119.03509	20.8
125.72005	0.7
131.03540	3.6
133.02988	1.9
135.04501	3.9
135.08202	0.9
143.03526	2.7
147.02972	0.7
149.04594	1.7
161.02489	3.6
161.04579	3.8
161.06013	1.7
162.02780	0.9
163.14989	2.2
179.01961	0.8
179.03630	3.9
179.05598	9.3
180.03865	0.9
191.02029	1.0
194.81194	0.7
201.16528	0.8
207.13884	1.5
217.12323	1.0
227.10823	6.5
245.11823	4.1
256.07510	1.2
257.08255	0.9
281.17596	100.0
282.17920	7.2
285.03928	0.8
329.88068	0.8
408.48358	0.7
426.02585	0.7
461.14453	7.3
461.23853	11.7
461.64575	3.1
462.24380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15776	0.6
52.54033	0.5
53.12009	0.5
55.01881	1.1
57.03453	1.7
58.00586	1.3
59.01385	88.0
60.01714	0.9
69.54197	2.4
71.01389	38.2
72.01723	0.6
72.99335	1.2
73.02631	0.3
73.02951	21.9
83.01394	1.6
85.02964	8.1
87.00890	1.9
89.02454	49.6
90.02798	0.7
95.01408	1.9
99.04530	21.6
101.02451	19.5
113.02456	14.2
119.03512	18.9
131.03532	1.6
135.04593	1.0
143.03511	3.8
149.04550	1.1
161.04576	2.4
163.14998	0.8
179.05629	7.2
181.75658	0.6
201.16579	0.9
207.13969	1.1
235.90878	0.5
256.07425	3.5
257.08148	1.1
281.17599	100.0
282.17926	6.1
284.59656	0.6
461.16803	1.8
461.23889	12.9
462.24326	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	461.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01383	100.0
61.98843	7.8
69.41207	4.7
84.36176	1.0
95.98334	0.9
97.13026	1.1
103.01490	3.1
150.78996	1.2
159.64197	1.1
184.90742	1.1
190.93655	1.0
202.22681	1.0
241.01418	1.4
259.20688	1.9
299.02133	1.4
301.21628	8.0
304.06671	1.1
319.22809	39.6
320.23181	3.4
379.24905	80.3
380.25140	8.9
461.07205	1.9
461.25259	45.5
462.25803	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	461.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81165	0.4
70.70486	1.1
78.95908	6.3
110.98537	4.0
116.62282	0.4
117.67988	0.5
120.52036	0.6
167.01164	2.5
185.02155	3.7
266.33118	0.4
293.24893	100.0
294.25186	8.0
294.28357	0.8
373.40649	0.5
461.26819	7.2
462.27264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96367	0.4
69.26029	0.8
69.26432	1.2
78.95906	13.4
92.87330	0.4
98.22641	0.9
104.97449	0.7
110.98540	7.7
152.99695	0.5
156.02115	0.4
167.01163	9.3
168.01561	0.4
185.02176	3.2
240.40451	0.4
293.24881	100.0
294.25201	7.2
349.40643	0.5
440.83408	0.4
461.26709	16.8
462.27054	1.7
466.57434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13187	0.3
71.26881	0.3
75.32044	0.3
76.64889	0.3
78.95910	14.5
88.89661	0.3
94.99003	0.4
99.87021	0.3
104.97465	0.7
110.98545	10.6
119.10886	0.3
152.99606	0.3
167.01158	12.3
185.02202	3.3
260.08029	0.3
262.36951	0.3
293.24887	100.0
294.25189	8.5
306.81052	0.3
322.30695	0.3
461.26779	16.3
462.27191	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	462.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92804	0.2
59.01384	0.6
61.98838	0.2
62.47901	0.2
67.68509	0.2
69.26594	1.1
71.01379	0.3
81.03456	0.3
85.02940	0.2
96.04578	0.4
96.95995	0.3
98.02486	1.7
98.21938	0.3
110.02487	0.8
124.04053	100.0
124.88138	0.2
125.02482	1.9
125.04410	2.2
184.06145	0.6
196.06198	0.4
199.32109	0.2
210.07732	25.1
211.08051	1.1
233.11865	0.4
235.13606	0.3
246.12460	0.3
247.13420	0.5
261.14990	3.3
262.15378	0.4
271.02634	0.2
300.02664	0.3
301.03476	0.3
429.17670	0.2
444.20416	0.8
462.21417	0.8
463.08527	0.3
463.25949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44617	0.5
56.92472	0.6
59.01372	1.5
65.75828	0.6
67.01892	2.7
71.05020	1.5
81.02208	8.6
82.02994	3.3
83.05048	0.6
85.02952	0.6
95.05033	5.2
97.06609	3.5
98.22707	1.3
107.03777	21.5
108.08142	0.6
109.06584	0.9
113.74480	0.5
118.96136	0.5
122.03742	1.2
138.09258	39.6
138.16801	0.6
139.09602	1.4
148.75310	0.6
149.09747	0.7
150.09222	3.1
151.07660	7.9
152.07985	0.6
165.09181	3.1
169.08784	0.6
172.97659	0.5
176.08420	0.7
177.09117	0.8
182.08231	100.0
183.08591	3.6
185.34047	0.5
191.07166	0.5
191.10793	1.2
194.08232	34.2
195.08536	1.9
207.13885	2.1
215.10822	1.3
216.11534	0.8
219.10245	6.1
220.11058	2.0
231.13936	8.6
234.12625	5.7
249.14952	12.3
250.15231	1.3
271.02286	0.7
294.60968	0.5
299.70889	0.6
300.02817	0.9
332.59451	0.6
378.14481	0.5
444.24033	4.2
462.25021	30.7
463.08740	0.9
463.25537	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92727	0.8
59.01385	3.8
65.00314	1.4
69.48313	4.3
71.01376	5.2
73.02956	1.5
75.57648	1.0
83.01399	1.1
85.02979	1.0
98.21935	1.6
101.02456	3.6
107.01407	3.5
108.02170	2.6
109.03006	1.7
113.02454	1.0
115.00365	2.3
121.02952	1.8
135.00845	1.1
148.01645	2.3
151.00381	13.4
159.35976	0.9
163.00365	3.3
164.01201	1.3
178.99863	6.3
199.04099	2.1
205.04906	0.9
211.03999	1.7
226.02701	2.4
227.03497	4.9
229.05020	1.1
243.03011	15.7
244.03513	1.1
245.04649	1.9
253.96785	0.8
254.02313	3.5
255.02998	28.5
256.03351	2.0
270.41162	0.9
271.02487	76.3
272.02908	7.5
273.03870	1.6
283.02588	1.9
299.01996	2.1
300.02768	100.0
301.03531	56.0
302.03833	4.6
347.17090	19.9
445.98752	1.0
463.08862	71.4
464.08966	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	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
59.01384	22.1
65.00322	1.2
69.58785	2.6
71.01384	14.2
73.02944	2.3
81.03462	6.1
83.01392	3.2
85.02958	3.4
87.00877	1.4
89.02451	7.5
95.06509	1.1
101.02457	8.6
102.63772	1.1
107.01402	3.4
107.05134	1.0
108.02199	1.0
109.02968	4.1
113.02464	3.3
113.03603	1.5
115.00385	3.8
119.03538	2.6
120.51825	1.1
121.02972	3.0
122.03745	8.9
123.04539	2.1
125.02495	4.2
133.06598	4.4
134.03755	9.4
135.00963	1.2
135.04547	5.5
137.06096	9.7
148.01727	1.9
148.05273	1.9
149.06104	42.3
150.06479	1.7
151.00386	10.0
157.06636	1.3
158.72581	1.0
159.04474	1.2
161.02489	2.1
162.03314	1.2
163.00449	1.8
163.04063	1.6
164.04987	1.1
167.10820	5.1
171.08284	1.1
172.05359	1.5
173.06148	2.1
175.04057	1.2
176.04860	1.2
177.05569	14.4
178.99899	6.4
187.07883	1.2
196.36423	1.4
199.07799	1.3
200.04755	1.1
201.05576	1.3
201.09207	1.7
209.11877	8.3
211.03983	2.0
215.07149	5.7
226.02724	1.8
226.06516	1.2
227.03519	3.1
228.04247	6.8
229.08763	1.6
230.09431	1.9
231.10292	2.2
237.63284	1.1
241.08749	4.2
243.03018	11.3
243.06625	33.6
244.03516	1.3
244.07362	3.5
245.04532	1.6
253.09325	1.9
254.02274	1.8
255.03001	23.3
256.03580	1.5
258.08990	100.0
259.09750	66.5
259.12607	1.9
260.10211	3.1
271.02502	56.1
272.02911	6.2
283.10965	3.1
300.02771	90.1
301.03519	44.7
302.04117	2.6
347.17133	34.5
348.17404	2.3
421.15076	1.2
446.21765	1.2
463.08914	58.1
463.16110	6.7
464.09335	5.4
464.23056	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	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23896	0.6
55.01880	3.1
57.03181	0.9
57.03450	15.1
57.95940	0.6
59.01382	4.7
64.24492	0.6
64.84786	0.6
65.00317	0.6
68.99818	0.9
69.42299	1.4
69.42689	1.0
71.01379	4.3
71.37462	0.6
72.99309	1.0
73.02949	1.7
75.00874	0.8
83.01391	5.3
84.02173	1.3
85.02956	100.0
86.03289	1.1
86.94186	0.5
87.00918	1.2
91.01888	3.1
101.02433	1.8
108.02195	2.2
109.02961	1.8
110.25912	0.6
111.00900	11.4
111.04507	0.7
113.02369	0.8
121.02960	15.4
122.03778	1.1
123.00930	0.8
123.04547	10.2
126.05628	1.4
128.03548	1.7
129.01956	23.8
131.05034	1.1
133.02991	1.1
133.06566	3.1
135.04538	3.3
147.03014	5.2
147.04074	0.7
149.06146	0.8
152.01147	1.7
161.06087	2.8
167.03506	21.2
167.04939	1.2
168.03839	0.9
170.04568	0.9
173.00929	8.3
179.03432	0.6
189.05579	5.5
191.01970	4.4
197.09746	1.4
204.03404	1.0
207.06631	0.8
213.09200	1.3
223.07654	1.8
225.60068	0.6
226.06403	2.3
227.10942	0.6
235.06157	4.7
241.08699	7.0
242.09142	0.7
251.05638	4.2
258.09042	2.4
259.09763	4.9
295.04739	1.1
297.06238	3.8
297.86972	0.6
313.05722	1.6
341.05206	2.0
373.16852	0.6
429.94611	0.7
463.16013	2.4
463.25604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01382	100.0
61.98831	4.3
62.31868	0.9
64.09303	1.1
66.98245	0.9
68.99845	1.4
71.01392	16.8
71.38920	1.3
72.99326	1.3
73.02956	5.2
75.62854	1.2
83.01369	2.3
85.02959	5.9
87.00845	1.3
89.01935	1.8
89.02453	20.2
95.01391	1.3
96.96027	1.4
97.02956	2.2
99.00885	4.2
101.02447	13.6
107.05070	1.3
109.02929	1.3
111.04552	1.6
113.02459	10.8
115.04018	1.3
115.23821	1.0
119.03490	7.8
119.05092	1.2
121.02978	7.2
123.04556	5.5
135.04541	4.1
137.02484	5.2
143.03505	12.1
149.04543	1.5
153.05591	13.4
161.04585	3.1
163.04036	4.1
177.05531	2.2
179.05626	4.6
181.05069	12.7
187.27905	1.3
197.04568	16.6
205.05072	1.4
209.11737	2.2
223.06116	4.5
231.74219	1.0
241.07166	2.2
276.07297	1.1
282.62659	1.1
300.02466	1.4
301.03497	4.3
351.17514	1.1
353.69711	1.1
357.12234	1.3
361.11386	2.5
463.08600	2.0
468.49561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.7
59.01377	1.0
71.01382	0.8
72.17918	0.4
73.02944	1.4
79.37053	0.4
81.88383	0.5
83.01388	0.8
85.02957	0.8
89.02463	1.1
98.21904	1.3
98.22606	1.8
99.00900	0.5
101.02451	100.0
102.02818	1.2
113.02461	1.4
116.07196	3.9
117.07553	0.4
119.03570	0.6
135.04538	0.5
181.05107	0.9
198.30875	0.4
203.93758	0.5
247.39801	0.4
277.19122	0.4
303.69992	0.4
305.27814	0.5
330.45831	0.6
361.37070	0.5
463.17197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29536	0.6
57.03460	5.5
59.01396	3.3
69.16234	1.6
69.16652	1.7
70.75068	0.6
71.01388	1.6
73.02950	0.9
77.01689	0.5
83.01389	1.0
89.02480	0.9
99.00896	1.6
101.02450	100.0
102.02813	0.9
135.04538	0.5
146.67024	0.5
147.64545	0.5
181.05054	1.2
187.34254	0.5
199.06325	0.6
263.03323	0.6
265.56473	0.5
296.91168	0.5
310.63940	0.6
361.11551	0.8
362.40845	0.5
463.10211	1.9
478.89291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99833	0.6
51.14277	0.6
55.01881	1.3
59.01371	2.5
60.86782	0.6
65.71668	0.6
70.52022	0.6
71.04880	0.7
81.03466	5.1
107.05001	0.8
107.48512	0.6
108.10753	0.6
109.02965	1.5
109.31074	0.7
121.02950	2.4
122.03748	7.7
123.04543	1.9
125.02436	2.6
127.54348	0.6
133.06609	4.9
134.03746	9.4
135.04538	4.5
137.06096	9.7
147.04459	0.7
148.05289	2.2
149.06096	43.1
150.06473	1.4
151.80109	0.7
152.94913	0.6
159.04543	1.0
162.03296	1.4
171.08157	1.0
172.05251	1.1
173.06044	2.3
174.06793	1.1
176.04805	1.3
177.05583	15.0
187.07643	1.8
189.05571	1.4
189.09186	0.9
199.07721	0.8
200.04651	0.9
201.05618	1.4
201.09232	1.6
211.07687	0.9
212.08408	0.8
213.09140	1.2
215.07109	4.9
216.07671	0.9
225.05530	0.7
226.06421	2.8
228.04298	6.2
229.05028	0.9
230.09456	2.3
231.10223	1.7
241.08766	4.4
243.06638	33.6
244.07343	4.8
258.08984	100.0
259.09735	72.7
260.10043	5.0
265.33151	0.7
271.09747	2.3
301.10794	0.8
326.09766	0.9
355.44632	0.7
403.13834	1.1
463.16144	6.1
464.16708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09020	0.8
59.01388	6.8
68.95691	0.7
69.10824	5.3
71.01368	0.9
73.02930	1.2
81.03464	1.3
85.02956	1.1
89.02471	0.9
91.05553	1.5
93.03471	0.8
98.21893	1.9
101.02479	0.9
107.04985	1.1
109.02946	3.1
119.04990	1.0
122.03760	3.7
123.04520	1.9
132.01912	0.9
133.06610	2.2
134.03726	5.8
135.04521	1.9
137.06097	2.6
145.06639	1.9
146.03743	2.0
146.89815	0.9
147.04536	30.9
148.05182	1.8
149.06090	17.2
153.32880	1.0
159.04507	1.8
161.02473	1.2
161.06133	0.9
162.03217	2.9
163.03909	1.0
169.10135	1.3
171.08116	2.9
173.06058	1.1
174.03247	1.1
175.04002	3.6
176.04785	16.1
177.05585	15.3
181.06609	1.5
185.09721	1.3
187.04115	1.2
187.07689	1.1
187.11320	2.7
188.04698	1.1
189.05664	1.4
197.09761	3.8
198.06770	2.0
199.07678	3.1
200.04886	1.3
200.08417	2.9
201.05556	1.5
202.06357	1.8
212.08502	4.7
213.09213	5.6
214.06361	3.8
215.10870	0.9
216.07919	1.0
223.07707	2.6
225.05644	1.7
226.06326	5.5
229.05162	1.5
229.08698	3.1
231.10205	3.8
233.60751	0.9
241.08723	19.2
242.09218	3.3
243.06570	1.1
244.07458	5.8
244.38426	0.8
258.09024	2.7
259.09750	100.0
260.10092	6.1
336.18942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03450	1.1
59.01383	13.2
61.90043	0.5
68.46718	0.6
69.19571	3.2
71.01385	3.2
72.99314	1.5
73.02931	1.8
75.33551	0.5
81.03459	4.2
82.22319	0.5
83.01381	1.1
83.05032	1.3
85.02945	4.1
89.02454	2.1
93.03441	0.7
95.01432	0.7
97.02956	0.8
101.02453	2.4
107.05061	1.2
109.02956	5.3
111.04533	0.6
113.02440	1.3
114.02768	0.6
119.03479	0.6
121.02948	1.6
121.06588	1.5
122.03749	8.2
123.04534	2.8
125.02425	2.7
126.05620	2.1
133.02965	1.5
133.06602	3.9
134.03748	8.4
135.04536	6.2
137.06097	7.0
145.05046	0.8
147.04550	1.8
148.05328	1.4
149.06091	41.3
150.06512	1.4
151.04031	0.8
161.02446	2.8
161.06143	0.5
162.03273	0.8
163.04004	0.8
165.28656	0.5
170.04672	1.3
171.08156	1.7
172.05244	0.8
173.06084	1.7
174.06833	0.8
175.03958	2.4
176.04808	2.1
177.05560	13.3
178.05862	0.8
179.03508	1.9
181.06593	0.6
186.06894	0.8
187.07654	1.9
189.05603	1.4
195.08165	0.7
197.06097	1.1
197.09752	1.8
198.06841	1.6
199.07671	1.7
201.05577	2.5
201.09116	1.2
203.07164	1.0
204.03429	1.8
211.07668	1.0
212.08415	1.5
213.09227	4.3
215.07184	4.3
215.10840	1.2
216.07874	1.1
218.93382	0.6
223.07639	5.0
224.08270	0.6
225.05669	1.2
226.06342	7.9
228.04314	6.0
229.04951	1.0
229.08734	0.9
230.09477	1.6
231.10255	1.7
240.07881	2.9
241.08717	28.1
242.09087	2.2
243.06618	35.2
244.07292	6.6
257.08163	1.7
258.08975	100.0
259.09729	83.5
260.10135	5.0
265.18124	1.5
271.09769	1.9
283.09811	1.2
283.19177	1.5
285.11478	1.2
301.10870	1.6
326.10156	0.7
371.54251	0.6
371.59427	0.6
394.80804	0.6
403.14029	5.3
421.15311	1.1
463.16092	12.9
463.25516	13.1
463.64389	0.8
464.16287	1.8
464.25928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93047	0.5
59.01366	1.4
67.86922	0.4
69.07706	3.6
71.01385	13.1
73.56168	0.5
78.58344	0.5
78.95895	4.8
95.71819	0.5
96.95998	1.2
96.96950	0.6
115.00386	10.6
121.02973	0.8
132.02194	0.6
133.02968	18.0
133.83557	0.6
134.03766	7.5
135.04538	15.9
136.04964	0.5
137.02475	2.2
148.05269	0.8
152.99608	6.2
161.02457	97.1
162.02785	3.6
178.02710	1.3
179.03510	9.8
185.11852	9.3
205.97360	0.6
217.00273	0.6
239.62959	0.5
255.02905	1.6
271.02560	2.5
300.02744	4.6
301.03415	3.0
303.16028	15.2
304.16373	1.4
329.13892	2.9
347.14999	100.0
348.15366	10.1
355.01309	0.5
463.08963	3.1
463.21124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.69004	0.3
56.61324	0.3
59.01387	7.1
61.98811	0.3
69.19269	1.9
71.01403	0.7
79.05544	0.9
81.03470	0.9
81.78337	0.4
93.03479	0.7
95.04988	0.4
101.02364	0.4
107.05057	0.8
109.03004	0.8
110.90629	0.4
121.03028	2.1
121.06618	0.4
122.03746	1.4
123.04545	4.0
126.05599	1.0
133.06578	1.0
135.04549	1.2
136.05275	0.5
137.06088	0.6
147.04515	2.4
148.05304	4.0
149.06100	4.8
159.04530	0.3
160.05338	0.3
162.03197	1.6
163.04044	2.3
169.06723	0.4
169.10243	5.7
170.07408	0.9
171.08167	1.3
172.05327	1.1
173.06030	0.7
175.04016	6.2
176.04764	1.8
177.05586	8.0
181.06520	0.4
182.07346	1.0
185.09686	2.2
187.07655	0.8
195.08203	0.7
197.06009	1.7
197.09740	4.7
198.06877	7.5
199.07635	3.6
201.05486	0.7
201.09186	0.7
202.10052	0.5
203.10789	6.3
204.03139	0.5
204.04497	0.7
211.04048	0.7
211.07622	0.5
212.08359	1.9
213.09225	15.7
214.09589	0.9
215.07249	0.5
215.10764	3.0
216.07950	1.3
223.07730	2.6
225.05531	2.4
226.06367	17.9
227.06783	1.2
229.08745	1.3
231.10272	18.5
232.10538	1.1
239.07219	0.6
240.07922	0.5
241.08714	100.0
242.09076	7.2
244.07379	0.8
247.13297	0.5
257.08197	2.4
258.08978	2.7
259.09756	79.8
260.10083	5.7
293.08395	0.4
301.10587	0.5
342.09543	0.4
368.11154	0.7
381.11832	0.8
384.10620	0.6
403.13965	0.8
421.15082	0.5
435.16666	4.0
436.16867	0.8
445.15173	1.8
463.16113	21.1
463.25629	2.6
464.16571	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90312	0.4
52.09688	0.5
53.22058	0.4
54.02917	0.4
57.03468	0.4
59.01383	22.5
61.98839	0.8
71.01390	3.2
73.02958	1.1
81.03471	1.3
83.01408	0.4
83.05064	0.4
84.35000	0.4
85.02974	2.6
87.00870	0.4
89.02480	0.7
93.03477	0.5
97.02969	0.4
101.02468	1.8
107.05047	0.7
108.02190	0.6
109.02960	15.7
113.02489	1.5
121.03000	0.6
121.06628	0.6
122.03757	4.8
123.04556	1.4
126.05605	2.4
126.79507	0.4
133.03027	0.5
133.06590	0.9
134.03755	1.6
135.04538	6.0
136.05302	0.7
137.06079	1.9
140.01790	1.2
145.05118	0.4
145.06572	0.8
146.03769	1.4
147.04527	11.4
148.05322	4.2
149.06123	4.2
157.06602	1.3
159.04512	0.7
161.02454	3.2
161.06064	1.2
162.03236	8.6
162.06874	0.5
163.03964	1.2
163.07695	0.7
169.06598	3.0
170.04597	0.7
170.07333	0.5
171.08179	1.2
172.05293	1.0
173.06078	1.1
175.04018	21.4
176.04785	15.0
177.05569	6.4
181.06627	2.4
182.07445	1.9
183.08127	1.4
184.00764	1.0
184.08922	4.4
185.06143	0.6
185.09705	1.7
186.06879	0.8
187.03999	0.5
187.07648	1.1
187.11337	1.1
188.04715	0.6
189.05565	1.4
191.07124	0.6
195.08154	1.8
197.06085	0.8
197.09737	6.6
198.06891	3.2
199.07674	4.3
200.08350	1.8
201.05373	0.6
201.09184	0.8
202.09955	1.5
203.03490	1.6
203.10826	1.4
204.04449	5.4
209.05991	0.6
211.04065	1.1
211.07616	3.0
212.08450	12.8
213.09204	9.8
214.09900	2.1
215.07147	1.7
215.10773	4.9
216.07903	1.1
217.26360	0.4
219.10353	0.4
222.06816	1.8
223.07649	16.6
224.08044	1.7
225.05597	3.3
226.06361	31.8
227.06764	2.6
228.04295	0.7
229.08653	3.0
230.09390	3.8
231.10266	9.3
232.10626	0.7
239.07210	2.3
239.10287	0.4
240.07927	33.5
241.08704	100.0
242.09033	6.8
242.11382	0.8
243.06543	1.0
244.07423	1.6
247.09761	1.3
257.08237	3.1
257.11792	1.4
258.08966	95.7
259.09723	66.2
259.18823	0.7
260.10068	4.4
271.09811	3.0
283.09842	2.2
289.16666	0.9
299.12936	0.5
301.10687	0.9
353.12354	0.6
375.14545	0.7
385.12796	0.7
403.14014	8.2
408.10712	0.4
421.15176	1.2
421.24579	1.9
427.19888	1.2
445.15094	0.7
463.16010	20.6
463.25500	4.1
464.16794	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19334	0.8
55.01877	3.1
57.03459	1.2
59.01383	19.4
63.02411	1.1
67.53468	0.8
70.75669	0.9
71.01389	30.6
73.02956	7.8
83.01398	5.4
85.02966	10.8
86.00135	1.2
87.00909	1.1
89.02462	1.3
95.01403	2.8
98.06825	1.0
98.22003	1.0
99.00890	2.5
101.02454	23.3
102.02795	0.9
107.01388	1.2
107.45808	0.9
113.02439	5.3
115.00378	13.8
120.24894	1.0
121.02931	1.2
148.01703	1.2
151.00415	6.0
161.04504	1.5
178.99858	2.5
183.04372	1.0
185.11826	2.3
216.00510	0.8
227.03494	1.2
236.93895	0.9
243.02924	6.4
254.02269	1.7
255.02962	15.2
271.02493	26.0
272.02914	3.1
300.02774	37.8
301.03452	21.5
302.03879	1.5
347.17130	100.0
348.17410	8.3
463.08859	23.9
463.15466	1.4
463.18436	1.7
464.09238	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62828	1.1
50.86421	1.0
55.01880	1.6
56.05942	1.4
57.03447	1.3
59.01384	50.6
65.00309	1.1
71.01389	42.7
72.99296	1.2
73.02949	4.5
78.27735	1.1
81.03474	2.5
83.01392	4.2
83.05037	1.1
85.02955	10.2
87.00914	1.2
89.02451	23.6
93.18536	1.1
95.01375	2.0
96.00911	1.3
101.02459	20.9
107.01378	1.8
108.02117	1.4
109.02954	3.4
111.00893	1.4
111.31251	1.2
113.02454	8.5
113.03586	9.4
115.00388	14.4
119.03506	9.9
121.02965	2.4
122.03772	4.0
123.92321	1.1
125.02463	3.4
133.01408	1.5
133.06618	2.6
134.03770	3.2
135.04533	4.4
137.06120	5.0
143.03476	1.8
148.01720	1.2
149.06100	22.5
151.00359	9.4
161.02460	4.5
161.04562	2.8
163.00385	2.1
167.10797	12.6
176.04739	1.6
177.05608	6.5
177.59743	1.2
178.99815	3.4
179.05688	2.0
185.11865	1.9
207.75139	1.2
209.11911	8.5
210.39641	1.2
215.07050	1.7
226.02785	1.4
226.06325	1.6
227.03531	3.8
227.12941	2.2
228.04340	3.7
230.09494	1.2
241.09068	1.2
243.03053	7.7
243.06622	16.2
244.07405	3.2
254.02158	1.6
255.03001	20.9
256.03528	1.8
257.13113	3.3
258.08987	49.6
259.09750	39.0
260.10236	2.5
270.99573	2.5
271.02499	43.8
272.02652	2.5
283.11032	8.5
284.11472	1.1
300.02771	71.8
301.03516	43.8
301.11566	1.3
302.03958	2.8
321.86951	1.3
347.17130	100.0
348.17410	8.3
463.08893	50.3
463.15829	4.1
464.09180	5.5
464.22980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16377	1.1
58.02987	1.2
59.01381	5.3
70.86451	1.0
71.01389	2.7
73.02953	1.4
74.02485	2.2
75.30117	1.1
75.48506	1.1
75.77883	1.0
82.03001	2.7
84.04559	2.3
85.02972	3.1
86.02486	23.9
93.03430	2.6
94.03780	1.6
99.00886	2.3
113.74399	1.0
127.05138	2.4
127.08787	12.7
127.09637	1.6
128.03554	100.0
129.03893	1.8
136.07401	1.1
137.02470	7.0
138.02814	1.9
139.34720	1.2
146.39935	1.0
148.06999	1.0
151.00389	1.7
153.06711	7.5
161.02534	1.8
164.74557	1.2
171.07773	46.1
172.08066	1.1
178.99867	1.2
179.04669	3.3
183.13921	2.2
195.13951	4.9
197.05728	2.7
201.11392	1.5
209.11847	1.7
213.14995	22.3
214.13046	1.2
214.15288	1.3
215.06757	10.9
219.70792	1.1
227.12784	1.3
229.12695	1.8
247.13744	46.3
248.14049	2.0
255.02989	3.5
271.02502	8.2
300.02808	11.8
301.03491	7.2
325.08267	1.8
334.16959	44.1
335.17300	3.4
347.17148	1.8
370.30759	1.2
428.01062	1.3
445.20074	8.9
446.53439	1.2
463.08652	8.6
463.21173	24.9
464.08789	1.3
464.21625	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	463.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16377	1.1
58.02987	1.2
59.01381	5.3
70.86451	1.0
71.01389	2.7
73.02953	1.4
74.02485	2.2
75.30117	1.1
75.48506	1.1
75.77883	1.0
82.03001	2.7
84.04559	2.3
85.02972	3.1
86.02486	23.9
93.03430	2.6
94.03780	1.6
99.00886	2.3
113.74399	1.0
127.05138	2.4
127.08787	12.7
127.09637	1.6
128.03554	100.0
129.03893	1.8
136.07401	1.1
137.02470	7.0
138.02814	1.9
139.34720	1.2
146.39935	1.0
148.06999	1.0
151.00389	1.7
153.06711	7.5
161.02534	1.8
164.74557	1.2
171.07773	46.1
172.08066	1.1
178.99867	1.2
179.04669	3.3
183.13921	2.2
195.13951	4.9
197.05728	2.7
201.11392	1.5
209.11847	1.7
213.14995	22.3
214.13046	1.2
214.15288	1.3
215.06757	10.9
219.70792	1.1
227.12784	1.3
229.12695	1.8
247.13744	46.3
248.14049	2.0
255.02989	3.5
271.02502	8.2
300.02808	11.8
301.03491	7.2
325.08267	1.8
334.16959	44.1
335.17300	3.4
347.17148	1.8
370.30759	1.2
428.01062	1.3
445.20074	8.9
446.53439	1.2
463.08652	8.6
463.21173	24.9
464.08789	1.3
464.21625	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52775	0.6
55.01883	4.3
57.03447	5.3
58.00601	1.5
59.01383	84.7
69.03461	1.9
69.16146	0.6
71.01386	100.0
72.01711	1.3
72.99303	1.4
73.02950	22.4
75.00861	1.5
81.03461	1.1
83.01394	9.1
85.02956	33.1
87.00879	5.0
89.02451	59.6
89.44126	0.6
95.01400	5.4
97.02969	3.4
98.22643	1.5
99.00878	7.3
101.02451	52.8
102.02739	1.1
113.02460	33.7
115.00376	7.6
118.81679	0.7
119.03510	20.8
125.02462	4.9
129.01959	1.1
131.03520	6.8
135.04567	1.3
143.03545	6.0
149.04562	8.6
149.95375	0.6
159.02968	5.2
161.02449	1.6
161.04568	49.3
162.05716	0.7
167.10800	6.5
175.68730	0.6
179.03484	1.3
179.05653	9.6
185.11768	1.1
191.05621	1.8
211.13466	0.8
227.12888	3.6
233.06668	0.8
300.02942	1.2
329.11688	1.0
331.17630	38.6
332.18008	2.6
347.17111	55.5
348.17358	4.0
424.64410	0.6
462.68015	2.0
463.08099	1.1
463.22369	13.3
464.22388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	8.0
59.01384	100.0
61.98809	3.6
69.03471	7.4
71.01386	25.6
71.40067	1.6
73.02953	57.6
79.75074	1.4
83.01380	7.2
84.49465	1.5
85.02957	24.7
85.03427	2.8
87.00877	2.5
89.02455	9.1
93.03477	2.2
95.01391	2.6
97.02968	12.4
99.00887	1.9
101.02449	24.3
101.06067	2.5
108.02238	2.3
113.02457	18.4
114.02788	4.3
115.02949	2.0
115.03139	2.8
115.04023	41.5
116.04420	1.6
119.03465	2.9
120.99646	2.9
122.00818	2.4
122.02510	1.6
123.04521	2.9
125.09732	37.9
129.01947	3.6
131.03519	2.1
133.02943	1.6
133.06558	2.2
135.04543	12.2
136.04872	2.1
143.03503	1.6
149.04536	2.2
152.01257	1.9
154.05818	1.6
161.02481	2.1
161.04546	7.6
161.05928	2.3
165.03769	3.2
165.09250	2.3
167.03494	6.0
177.03853	2.5
179.03491	6.5
191.05656	3.3
220.22069	1.5
223.07742	3.2
226.06293	4.6
232.98865	1.5
241.08742	12.5
258.09027	4.8
259.09833	2.2
272.08917	2.0
340.78137	1.7
389.16193	1.4
402.53799	1.5
403.19977	2.1
463.17438	21.8
488.57755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.14508	0.4
59.01383	7.6
60.01699	0.4
61.01781	0.3
61.98848	0.6
65.42175	0.4
66.95913	0.4
71.01389	5.0
73.02937	1.6
82.95424	9.0
83.01388	0.7
83.05051	1.1
85.02948	2.0
88.69611	0.4
89.02441	2.2
90.66032	0.4
96.12462	0.4
98.21896	1.2
101.02447	4.1
111.08176	0.5
113.02480	2.1
115.00383	0.4
116.92863	0.8
119.03489	0.6
136.16508	0.4
151.00410	0.5
161.04543	1.4
164.75969	0.4
165.12857	8.3
183.13913	100.0
184.14226	4.7
209.11829	1.7
227.12929	10.0
228.13226	0.6
235.08235	1.2
243.02887	0.4
253.09270	5.4
254.02129	0.4
255.02901	0.9
261.14880	0.4
271.02567	1.9
300.02780	3.8
301.03329	2.2
301.16815	0.6
347.17081	0.9
379.17578	0.6
395.74509	0.4
445.20734	1.2
463.09064	2.9
463.21869	59.3
464.15759	0.8
464.22137	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68483	0.4
57.03443	0.4
59.01387	7.9
61.98820	0.5
69.60474	0.4
70.48251	0.4
71.01391	4.7
71.05038	0.4
73.02956	2.1
82.95422	7.7
83.01377	1.2
83.05040	1.0
85.02952	1.7
87.00880	0.8
89.02455	3.5
97.06613	0.4
101.02439	3.9
111.08163	0.8
113.02443	1.8
115.00381	0.8
119.03501	1.0
133.05125	0.6
134.03775	0.5
145.93570	0.6
161.02467	0.6
161.04608	0.8
165.12877	8.8
183.13913	100.0
184.14261	4.4
203.15465	0.5
209.11838	2.0
227.12909	10.3
235.08241	0.9
253.09299	6.4
255.02820	0.7
261.14847	0.5
271.02490	1.9
300.02789	3.2
301.03632	1.8
317.17334	0.5
325.17987	0.5
347.17087	2.6
441.45938	0.4
445.20764	0.6
463.08789	1.4
463.21872	50.5
464.16162	0.8
464.22025	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	1.1
59.01383	12.0
63.02428	0.5
65.00308	1.4
67.29291	0.4
69.46117	1.4
71.01383	7.4
73.02937	2.0
80.02686	1.2
81.03474	1.0
82.95426	2.6
83.01396	2.3
83.05031	4.6
84.02164	1.0
85.02947	3.6
87.00869	0.9
88.48111	0.5
89.02453	4.5
93.03474	0.6
95.01406	0.9
95.05035	1.1
96.04568	0.7
97.06598	0.5
99.00892	1.4
101.02451	5.8
107.01405	2.1
109.02981	0.8
111.00893	0.8
113.02473	2.2
114.59030	0.5
115.00383	1.2
115.95561	0.4
119.03533	1.0
121.02967	2.3
122.06142	0.7
133.02940	4.1
134.03334	1.6
135.03601	1.0
135.04518	2.7
136.04932	0.5
140.03503	1.3
141.01959	0.7
147.04506	0.5
148.01698	0.6
151.00378	8.0
161.02452	11.6
161.04590	1.5
162.02788	5.0
163.00386	0.6
163.02959	3.6
163.11311	4.7
165.12843	2.2
169.01408	0.5
178.99863	3.3
179.03523	2.3
180.03867	0.6
184.06206	0.5
187.13422	4.8
199.03915	0.4
199.09894	0.7
199.13472	0.5
205.03496	0.6
209.11842	100.0
210.12170	5.2
227.03448	0.9
227.12901	16.8
228.13258	0.7
241.08911	0.5
243.03049	2.6
253.09299	13.0
255.02963	4.3
259.09763	1.8
271.02499	11.2
272.02740	0.9
273.04089	0.6
283.12030	0.7
299.02274	0.6
300.02759	16.0
301.03519	21.1
301.54471	0.4
302.03879	1.8
347.17154	6.2
445.07797	0.7
463.08807	11.0
463.15207	11.3
463.21765	0.8
464.09140	0.7
464.15622	0.5
464.22971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90657	0.8
53.55910	0.8
59.01377	2.6
61.98835	100.0
69.39192	2.8
71.01402	1.2
73.02968	0.8
85.02971	1.3
101.02448	0.9
109.02987	2.2
111.04532	0.9
116.82961	0.7
122.03787	1.1
129.92429	0.7
135.04610	1.8
138.78709	0.8
148.43140	0.8
178.90347	0.8
196.08469	1.1
223.07526	1.6
224.08160	2.2
226.06335	1.7
227.06808	2.9
241.08701	6.2
242.09087	10.6
258.08893	1.9
259.09491	2.7
260.10205	1.4
265.20407	0.8
312.71701	0.8
314.54868	0.7
404.15140	0.8
464.16959	5.2
466.93866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01391	25.4
60.01721	2.1
61.98837	1.7
70.46323	2.4
71.01390	33.4
72.01727	4.2
73.02946	9.6
80.36602	1.8
83.01381	4.5
85.02950	15.1
86.00135	2.1
86.03294	3.4
87.00901	2.2
89.02451	4.0
95.01435	1.7
96.96019	1.6
98.00619	1.6
99.00890	4.4
101.02444	19.5
102.02785	4.2
109.02970	2.1
113.02452	7.4
113.10960	1.5
114.02859	2.8
115.00391	9.8
119.03467	2.1
122.03762	3.0
135.04533	5.7
149.06111	3.5
161.02454	1.8
167.43776	1.6
179.03546	3.6
179.91878	1.6
243.10249	4.8
253.48618	2.0
261.11313	3.7
340.50165	1.7
347.17087	26.6
348.17493	100.0
349.17749	8.3
463.66306	2.4
464.09207	2.3
464.17609	3.5
465.19788	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	464.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71702	24.7
57.56134	29.7
59.01376	91.3
69.88227	68.2
69.88558	29.7
71.01384	100.0
75.79884	26.3
85.02966	84.9
101.02425	48.8
109.02921	59.5
113.02497	39.3
135.04549	32.9
149.06105	61.0
173.42642	30.4
179.03554	42.2
229.73851	32.3
243.10280	86.1
305.72079	28.7
325.75787	29.3
348.17511	59.1
480.67169	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.94282	3.9
70.70345	7.0
70.94372	3.9
71.01385	9.8
75.00893	7.4
78.95888	7.3
85.68382	4.1
87.00896	5.3
125.06111	8.0
161.02368	4.8
171.04697	3.7
173.06039	4.0
231.13876	19.6
249.14948	51.7
291.16055	88.1
292.16443	5.1
301.03329	6.4
303.16104	26.2
333.04077	9.9
333.17035	4.5
361.03470	6.6
464.09012	7.8
465.09750	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	464.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33419	3.4
55.01898	6.2
57.03473	4.2
59.01390	40.4
60.01731	3.9
60.70436	3.0
62.60703	3.0
69.47026	9.9
71.01390	64.0
73.02950	25.0
83.01397	12.3
85.02948	29.5
87.00889	5.2
89.02451	19.3
95.01414	6.3
97.02982	3.3
99.00887	10.2
101.02450	44.1
113.02444	28.1
123.42118	3.2
133.03012	4.2
133.37219	4.0
135.04555	16.2
157.96794	3.4
159.03050	7.5
161.02393	11.0
161.04565	33.4
165.12862	5.4
179.03488	10.9
183.13928	77.2
184.14268	69.6
211.24733	3.4
216.98282	3.5
218.20749	3.9
227.12904	5.8
228.13261	8.2
248.00294	3.8
254.09682	5.4
289.16592	100.0
290.16748	3.8
301.03262	4.2
339.76367	3.3
418.25186	5.6
421.20770	53.3
422.20782	6.5
464.08939	3.6
464.22284	83.9
465.22003	8.0
465.27719	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	464.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25097	1.1
57.03463	1.3
58.70298	1.1
59.01366	4.6
60.99321	1.6
66.03476	4.9
69.58501	4.8
71.01376	3.5
71.05021	2.3
72.00951	1.2
73.02946	1.6
80.05096	1.6
81.02203	8.5
82.02984	3.9
82.95416	3.5
83.05017	1.6
84.95099	1.8
85.02958	8.1
87.15827	1.1
89.02464	1.9
92.05068	1.3
94.03001	6.5
94.06606	3.2
95.05033	8.3
96.04563	48.2
97.06606	8.3
98.02481	17.7
101.02431	1.8
102.05619	4.4
107.03789	1.4
108.04569	11.8
109.06553	1.3
110.02473	4.8
112.04060	5.5
115.00370	1.9
122.03722	2.1
122.06133	27.1
123.08138	1.3
126.05601	7.3
135.04587	1.7
137.09714	1.6
140.03552	100.0
140.07138	3.0
141.03868	1.9
141.78923	1.3
142.13394	1.4
149.09650	2.0
150.06866	1.8
150.09291	1.9
151.07683	14.6
152.03545	30.9
165.09172	4.1
166.05054	1.6
168.06705	1.8
177.09225	1.5
179.03419	1.4
183.10339	1.4
184.06168	46.9
185.06630	1.9
191.01988	4.6
193.12325	1.5
194.08165	1.8
196.06157	19.1
198.07718	2.1
207.13889	4.5
209.03000	4.7
209.11826	2.4
210.12164	3.8
212.09282	2.6
214.06404	1.6
215.10806	3.2
216.11287	1.2
219.10281	10.6
220.11037	3.9
221.11842	5.7
229.08698	6.6
231.13852	13.2
232.14154	1.4
233.11916	1.4
234.12608	10.3
235.13170	1.9
247.13409	1.4
249.11235	1.5
249.12044	1.4
249.14977	29.3
255.06674	1.9
261.14896	8.7
272.02866	1.4
279.15747	1.5
300.02652	1.7
301.03244	3.9
302.03864	3.6
316.21628	1.3
355.17929	2.8
384.21948	4.5
402.19070	3.0
420.14560	1.6
420.20288	25.7
421.20721	2.7
428.21210	1.3
446.21811	6.9
464.09192	3.5
464.22906	97.4
465.23163	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	465.1043
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03452	11.0
59.01387	31.8
61.98838	3.1
65.00334	5.8
71.01380	8.9
71.37611	2.4
77.29151	2.5
83.01393	6.0
85.02959	9.0
89.02455	4.5
93.03469	3.1
101.02423	5.2
103.28370	2.8
107.01421	3.7
109.02950	4.5
113.02445	3.6
119.03504	4.1
121.02960	2.8
123.04517	7.5
124.01664	2.9
125.02456	100.0
137.02458	3.4
139.04018	4.3
143.56902	2.3
149.02431	11.2
151.00383	34.7
151.03978	3.5
152.01088	3.2
153.01961	25.8
161.02454	4.1
175.00330	4.0
175.03969	9.4
177.01944	18.7
178.99890	18.8
179.03497	2.6
179.05652	2.7
181.01445	14.0
188.04782	2.5
191.01996	2.7
199.03920	5.0
217.05093	6.1
241.05191	4.2
259.06033	4.9
272.52792	2.2
275.05621	20.4
285.04065	44.2
286.04260	3.8
299.05673	5.3
303.05142	59.0
304.05560	3.5
317.81702	2.3
332.92749	2.2
341.05167	6.9
343.06638	6.9
346.67996	2.3
437.11130	2.6
447.09833	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	465.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33533	0.6
52.58913	0.7
57.03462	0.9
59.01385	7.5
69.40852	2.5
71.01389	9.1
75.00872	1.6
78.95910	53.7
79.95770	1.0
83.01403	0.9
84.05525	0.8
85.02950	2.0
89.02445	2.0
96.96039	29.3
96.96966	100.0
97.93144	0.7
99.00881	1.0
101.02457	2.5
111.04534	1.0
113.02484	0.8
118.96632	4.4
119.03529	0.7
126.04449	0.7
132.98178	3.4
135.04526	2.9
140.98671	0.8
142.96642	0.8
148.04028	1.4
156.98204	3.6
158.99805	1.8
160.97719	4.6
161.02351	1.0
161.04535	1.0
166.05074	0.8
167.10774	2.4
168.98250	2.4
169.10486	0.9
170.99725	5.2
179.03542	2.7
182.99704	1.1
184.97681	2.6
186.99254	2.0
189.00848	2.3
191.05640	2.3
192.99704	1.5
198.99237	5.6
210.99344	1.2
217.00328	2.8
229.00246	0.9
235.11870	1.8
241.00502	1.0
247.01263	1.2
259.01282	2.2
331.03354	1.2
333.08661	7.3
367.16217	0.9
367.51947	0.8
405.21710	0.9
447.11777	2.1
465.12973	29.8
466.13193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.0
61.98829	0.9
69.05110	5.4
70.63815	0.8
71.01389	4.3
72.99319	1.6
73.02940	4.3
73.47933	0.7
75.00880	100.0
76.01190	1.1
76.76308	0.7
76.93667	0.7
85.02972	2.9
89.02472	2.9
94.01874	0.8
101.02450	2.5
107.04975	1.2
109.02996	1.1
113.02458	1.7
122.03761	1.3
133.02977	1.0
135.04552	5.9
149.04578	1.8
150.05640	3.2
151.05980	1.1
161.02437	2.6
161.04536	0.8
167.03459	0.9
171.10286	1.1
173.87970	0.8
179.03514	6.1
203.07162	2.2
243.10289	4.1
261.11292	1.4
319.09988	0.9
355.31104	0.8
384.10745	1.0
385.12259	2.9
385.62271	1.5
426.64227	1.6
465.18958	2.4
466.18509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56799	2.5
53.05328	2.1
53.23441	2.4
55.31715	2.2
56.03978	2.3
57.03462	2.7
59.01384	100.0
61.98809	2.8
69.03459	2.2
71.01379	21.9
71.39479	2.7
85.02955	14.4
87.00899	3.6
88.98797	2.5
89.02446	17.6
93.03487	4.1
95.01357	4.4
97.02956	5.5
99.00922	3.6
101.02458	7.4
113.02457	22.2
119.03519	6.9
121.02965	12.7
121.06612	3.1
123.04546	2.8
125.02467	5.6
127.04022	5.9
133.02969	3.7
134.03743	3.6
135.04558	22.0
137.06113	7.0
139.04034	7.9
147.04480	2.2
148.04059	2.5
161.02466	8.6
161.04590	9.1
161.06004	3.5
165.05579	45.6
165.06882	3.5
177.57927	2.3
179.03543	13.1
179.05605	8.9
179.07123	4.8
183.06622	38.7
189.05621	3.9
191.05623	52.2
201.01703	7.3
201.07759	7.2
207.06648	6.1
225.07698	3.7
248.98540	4.7
249.07642	2.5
267.08807	6.1
277.00250	3.6
292.97552	4.3
332.10764	2.5
345.11688	13.8
363.12897	27.4
375.06958	41.3
405.13849	2.8
413.33075	2.8
421.02173	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	465.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16605	4.3
59.01386	100.0
61.98851	7.6
62.54576	5.2
71.01392	19.0
73.02959	29.6
78.79087	3.7
78.90361	4.1
81.03455	5.3
83.01402	7.8
84.56616	4.7
85.02934	8.7
86.02518	8.2
98.02513	4.8
101.02447	16.8
107.05055	10.7
109.02970	26.0
113.02438	6.9
115.04041	7.8
121.06617	4.9
122.03757	9.6
126.05608	11.1
128.03545	4.8
133.06656	5.9
133.36716	4.5
134.03749	9.1
135.04541	9.3
142.05072	7.7
149.06085	44.7
161.04738	4.7
161.06090	15.0
177.05527	9.3
188.04900	6.5
204.03395	10.3
205.05055	6.0
225.09225	8.3
228.07906	5.8
230.43562	4.7
243.10271	44.5
259.13242	6.2
260.06036	5.1
261.11319	88.4
318.61227	4.6
319.10312	6.5
354.55704	4.7
465.17270	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	465.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26279	0.7
54.18210	0.8
55.01868	0.8
59.01384	5.7
71.01398	2.4
80.95958	0.7
81.03462	2.2
85.02965	3.4
93.03461	1.4
98.21869	1.3
98.25693	0.8
101.02453	0.8
107.05030	3.6
108.02165	3.7
108.94540	0.8
109.02965	32.7
110.03248	0.9
111.08172	2.9
111.32040	0.7
121.02956	1.2
121.06580	5.4
122.03751	30.1
123.04609	4.5
133.06586	2.2
134.03758	10.6
135.04544	10.2
136.05305	2.5
139.07660	4.7
148.05312	2.2
149.06094	49.9
150.06892	16.6
151.07661	11.9
152.01218	4.0
153.01950	1.1
153.51199	0.8
161.06100	3.1
162.03304	3.2
164.04814	1.1
175.04012	1.3
176.04782	1.0
177.05588	27.3
178.05927	1.2
199.11278	2.5
201.09264	1.3
205.05075	10.6
210.06883	2.8
215.10686	1.3
218.09407	0.9
225.09210	8.8
227.07217	2.4
228.07907	9.4
232.11024	2.4
233.11852	14.9
234.50201	0.8
241.08688	1.3
242.09483	3.4
243.10268	100.0
244.10608	6.7
260.10547	7.4
261.11325	56.3
261.15500	1.1
262.11636	4.1
349.18777	3.8
350.14645	0.8
362.63614	0.8
387.14392	1.4
405.15619	3.7
411.84821	0.8
423.16602	1.0
465.10333	3.5
465.17706	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	465.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03443	1.1
57.75318	0.5
58.57351	0.5
59.01385	23.7
61.98821	1.0
71.01389	15.5
71.41008	0.6
72.99317	1.4
73.02947	4.1
83.01388	2.1
85.02965	5.3
86.58015	0.6
87.00878	0.6
89.02448	8.1
95.01388	1.6
96.38156	0.5
99.00889	6.7
101.02439	8.5
111.08191	1.0
113.02457	6.6
119.03535	2.4
120.26957	0.5
122.03737	0.8
123.04536	1.1
125.02466	0.6
125.09751	1.6
131.03540	1.0
133.02957	0.6
135.04556	1.2
135.30600	0.5
151.00334	0.8
153.09235	3.8
161.02432	1.3
161.04498	0.8
162.02773	0.6
167.03522	1.7
171.08781	0.8
171.10280	16.1
172.10634	0.5
179.03473	1.0
192.76768	0.5
203.07304	0.6
206.56281	0.5
213.51622	0.4
230.48009	0.5
315.14447	2.2
333.15564	41.9
334.15881	3.3
403.53140	0.5
465.19788	100.0
465.63742	0.7
466.20096	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	465.1981
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
54.60957	0.4
55.01873	0.7
56.40657	0.4
57.03440	0.7
59.01385	15.1
61.31210	0.4
69.63857	1.1
71.01026	0.8
71.01389	11.0
72.99317	0.8
73.02947	5.5
75.15771	0.4
83.01384	2.7
85.02947	5.3
87.00890	1.1
89.02448	3.7
95.01430	0.5
98.21965	0.9
99.00891	3.7
101.02457	6.9
113.02455	3.3
119.03516	0.6
125.09743	5.5
129.01999	0.6
135.04529	0.9
149.02440	0.5
153.09270	0.5
161.02573	0.5
161.04539	0.6
164.46579	0.5
171.10291	25.7
172.10556	1.0
173.32294	0.4
179.03516	0.9
246.12857	0.4
292.28879	0.5
315.14548	2.1
324.78448	0.4
333.15570	47.0
334.15958	3.1
355.48383	0.5
465.19791	100.0
466.20163	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	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86819	0.7
56.89998	0.6
59.01386	6.1
65.92838	0.6
69.63498	1.5
69.63879	2.0
71.01390	11.8
71.02440	0.6
76.69080	0.8
83.01409	0.9
85.02960	2.0
89.02457	1.7
98.21886	1.1
101.02448	3.4
113.02445	0.9
115.00383	7.8
169.12332	1.2
187.13406	21.4
188.13716	1.1
214.18736	0.8
331.17773	1.7
349.18683	100.0
350.18912	5.7
411.92978	0.9
453.10275	0.9
465.19760	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	465.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.03444	3.8
59.01387	35.5
60.99309	1.8
69.80042	2.4
69.80364	3.4
71.01389	28.9
72.99297	1.6
73.02960	12.9
75.00855	2.8
80.05038	1.7
82.95419	13.6
83.01409	10.9
85.02485	2.2
85.02966	24.8
87.00851	3.0
88.98814	8.4
89.02444	3.5
95.01387	2.7
96.96004	1.6
99.00883	9.4
101.02453	33.8
105.03454	2.5
109.02956	4.2
113.02482	10.4
122.03757	2.7
122.49252	2.1
131.03506	5.2
133.02977	18.7
134.03720	5.1
135.04543	25.3
139.04008	2.0
140.07158	5.9
147.02881	1.7
149.02412	3.6
149.06093	4.4
150.03195	1.6
152.01120	2.1
161.02470	13.7
161.04529	4.9
162.02885	2.0
177.01981	3.7
177.05602	2.7
178.02708	2.5
179.03503	17.5
180.03943	1.6
181.62184	1.6
185.11752	2.1
191.02016	2.8
209.03043	2.0
233.11887	3.3
243.03154	1.8
243.10185	6.8
254.93904	1.9
255.03073	2.5
256.03281	2.1
257.03345	3.5
261.11121	4.8
271.02475	5.1
272.02780	4.9
273.03110	6.2
300.02765	7.5
301.03305	9.7
302.03351	16.7
303.03967	7.0
340.75754	1.7
347.17123	100.0
348.17392	5.7
349.18225	5.4
388.21185	6.5
422.21469	2.1
465.09433	21.2
465.19672	58.1
466.09903	2.5
466.20166	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	465.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
56.31039	0.6
59.01389	7.2
59.20420	0.6
69.67314	1.2
71.01389	15.4
73.02950	2.1
83.01401	0.9
84.92146	0.6
85.02969	2.3
87.00903	1.3
89.02454	1.1
99.00893	1.3
100.31507	0.6
101.02465	3.0
113.02428	1.7
115.00392	7.9
116.17741	0.6
125.02484	0.8
133.01448	0.8
141.12859	2.2
162.85736	0.6
166.91843	0.7
187.11722	1.1
187.13417	23.5
201.14937	0.8
243.10289	1.3
331.17719	2.8
349.18704	100.0
350.19086	5.7
362.92563	0.7
380.35229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12187	0.7
59.01385	100.0
60.01756	1.0
62.29292	0.7
71.01393	1.7
71.39302	1.0
73.02953	1.5
78.95921	1.7
85.02965	1.4
89.96891	0.7
97.02961	5.9
97.06596	1.3
98.03378	0.7
99.00885	9.9
113.02483	0.9
117.68703	0.6
119.05047	0.8
124.21780	0.7
133.02960	1.4
134.19336	0.8
135.04561	2.6
161.02483	2.3
161.09976	0.8
163.04129	1.1
170.00261	0.8
172.63696	0.8
176.29997	0.8
179.03552	4.2
185.09770	0.8
189.87715	0.6
203.60777	0.7
229.08690	0.8
231.13986	3.2
234.12744	1.0
235.13443	2.7
241.08731	0.9
243.14009	1.7
245.15608	1.2
247.09875	3.0
247.13489	2.1
249.14981	11.1
271.13461	1.1
273.15002	1.0
283.17212	2.1
285.15091	2.3
289.14542	1.3
291.16144	2.1
301.18179	1.7
303.16061	5.1
305.21204	0.7
317.17816	0.8
321.17078	0.8
327.16022	6.5
343.19315	2.2
345.17139	8.0
363.18170	8.1
369.17148	3.8
387.18109	7.6
388.18176	0.8
405.19147	9.1
407.30341	0.7
408.20215	0.7
465.17792	6.1
465.68054	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.1
59.01385	100.0
60.01718	1.0
69.12602	4.8
71.01391	19.0
72.80073	0.7
73.02954	2.0
74.02412	0.7
83.01410	1.6
85.02953	5.2
89.02456	26.5
92.29712	0.8
95.01401	1.5
96.96009	0.8
99.00923	1.1
101.02443	11.5
112.05347	1.0
113.02466	9.3
119.03506	11.9
119.04317	0.7
123.04536	0.8
125.02460	7.4
129.85844	0.7
131.03528	2.1
134.07430	1.6
135.76186	0.7
137.09763	1.2
139.07706	1.3
143.03522	2.4
149.09740	15.0
151.00407	2.6
153.01988	1.0
153.09215	5.9
159.03067	1.2
161.04576	6.9
167.10785	32.0
168.11157	0.9
176.01111	0.9
177.02037	1.3
179.03416	0.9
179.03970	0.8
179.05615	9.9
209.11873	1.0
217.05269	0.8
225.14992	5.4
243.16037	5.7
285.04050	7.9
285.12619	0.8
303.05148	4.8
405.21298	19.6
406.21783	2.1
444.87302	0.8
465.23666	0.9
469.91147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70390	0.8
55.01877	1.9
57.03445	2.8
58.00597	1.1
59.01382	100.0
60.01715	1.1
69.03474	1.5
69.13525	6.5
71.01388	29.2
71.14521	0.8
73.02954	19.4
75.00870	1.4
83.01402	7.1
84.12624	0.8
85.02959	16.3
86.00074	1.3
87.00867	1.1
89.02446	5.2
95.01398	1.8
97.02952	2.8
99.00875	7.8
101.02452	27.7
102.02753	1.2
111.00977	1.2
113.02462	13.0
125.02500	1.6
131.03528	1.6
133.02962	17.8
133.03889	1.6
135.04494	4.9
142.98982	0.9
143.03491	1.4
151.07777	1.0
157.57695	0.9
159.02977	1.8
160.47020	0.9
161.02457	50.3
161.04446	8.1
162.02800	3.0
178.46025	0.9
179.03529	3.6
218.94286	0.8
225.14964	1.0
253.16757	0.9
270.88388	0.9
273.17047	3.5
291.18155	28.9
292.18481	1.4
329.85065	0.9
333.19061	2.8
423.16611	1.3
423.22406	41.8
424.22662	3.6
465.17548	21.5
465.23447	44.5
466.18204	2.0
466.23901	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70390	0.8
55.01877	1.9
57.03445	2.8
58.00597	1.1
59.01382	100.0
60.01715	1.1
69.03474	1.5
69.13525	6.5
71.01388	29.2
71.14521	0.8
73.02954	19.4
75.00870	1.4
83.01402	7.1
84.12624	0.8
85.02959	16.3
86.00074	1.3
87.00867	1.1
89.02446	5.2
95.01398	1.8
97.02952	2.8
99.00875	7.8
101.02452	27.7
102.02753	1.2
111.00977	1.2
113.02462	13.0
125.02500	1.6
131.03528	1.6
133.02962	17.8
133.03889	1.6
135.04494	4.9
142.98982	0.9
143.03491	1.4
151.07777	1.0
157.57695	0.9
159.02977	1.8
160.47020	0.9
161.02457	50.3
161.04446	8.1
162.02800	3.0
178.46025	0.9
179.03529	3.6
218.94286	0.8
225.14964	1.0
253.16757	0.9
270.88388	0.9
273.17047	3.5
291.18155	28.9
292.18481	1.4
329.85065	0.9
333.19061	2.8
423.16611	1.3
423.22406	41.8
424.22662	3.6
465.17548	21.5
465.23447	44.5
466.18204	2.0
466.23901	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	466.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10938	0.3
52.26750	0.4
55.01878	0.8
57.03455	2.2
59.01382	4.3
61.98786	0.3
68.99806	0.3
69.32277	0.8
69.32675	1.2
71.01382	5.0
72.99289	0.4
73.02962	2.2
75.00879	0.5
83.01409	1.0
84.02140	0.4
85.02956	20.5
87.00882	0.5
89.02455	0.8
90.18972	0.3
90.49741	0.3
93.03460	0.4
95.01411	0.4
101.02453	2.9
105.03487	0.6
107.05024	0.3
111.00906	0.9
112.78027	0.3
113.02468	1.4
117.03471	1.2
120.79519	0.3
129.01958	1.7
132.02223	1.7
133.02968	34.7
134.03638	1.1
135.04539	8.5
136.04857	0.5
139.04044	0.4
147.03027	2.4
160.01659	0.4
161.02458	100.0
162.02783	3.8
173.04628	0.4
179.03513	4.2
191.01990	5.1
209.03032	0.4
275.09216	0.5
286.71133	0.3
323.07602	0.3
426.55887	0.3
466.09125	47.1
467.09433	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	466.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03443	1.5
59.01386	18.7
61.98815	0.8
68.79202	0.7
69.03461	2.6
70.02978	2.5
70.56178	2.1
71.01390	5.0
71.05022	5.4
73.02944	7.0
73.55989	0.7
74.00707	2.9
81.03455	11.1
82.02981	2.5
83.01388	3.6
83.05025	6.2
84.02184	2.7
85.02963	7.2
86.02485	2.2
87.00898	1.2
89.02432	1.8
93.03490	1.0
95.05064	1.0
96.04570	11.1
97.02943	2.0
98.02487	12.0
98.03746	2.2
98.06131	6.4
99.02780	1.0
99.04527	10.4
101.02473	3.8
107.05042	7.7
108.04583	1.7
109.02967	18.2
110.03306	1.2
113.02444	3.2
117.00167	1.1
117.30801	0.8
120.01289	1.7
121.06612	1.1
122.03747	11.2
123.04106	3.6
124.01634	1.1
124.04068	4.6
125.02444	3.5
126.05620	93.1
127.04027	3.6
127.05049	1.3
127.05962	3.1
130.75951	0.9
131.05016	2.7
133.02966	1.2
133.06592	7.5
134.03735	1.0
135.04559	4.5
135.08173	7.7
136.05318	1.6
137.05754	0.9
141.09258	1.0
147.02795	0.9
147.04579	1.1
147.08020	0.9
149.06131	4.5
150.06770	3.0
151.07594	4.5
152.07994	2.7
158.02824	9.9
161.02408	1.3
161.04735	1.0
161.06094	21.9
162.06432	1.2
163.07631	1.0
165.03802	9.2
170.04605	34.6
171.04933	1.3
177.05603	1.8
177.09280	1.7
179.03484	1.8
183.08122	1.3
187.11215	0.8
189.05609	1.0
189.12816	1.4
197.09734	2.1
202.01828	1.0
204.03363	100.0
205.03612	4.4
213.09232	4.3
215.10771	2.6
217.12416	1.7
220.02803	5.0
221.33357	0.8
225.09297	4.3
226.09605	1.2
227.10831	8.5
231.10411	1.2
233.11726	3.1
235.13362	1.2
243.10324	4.3
244.10515	2.6
245.11896	11.2
248.50331	0.9
260.10281	1.2
261.11310	21.2
262.11707	8.5
263.12988	3.8
295.10007	2.1
335.62222	0.8
373.47531	0.9
408.59372	0.8
434.05762	0.9
466.15332	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	466.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.6
62.67699	1.6
71.01376	5.0
71.05019	3.3
73.02953	5.0
83.01402	4.6
85.02945	2.9
94.48627	1.8
96.04548	10.3
96.61343	1.4
98.02490	2.2
98.06122	6.8
101.02425	3.0
113.02470	2.3
115.09715	1.6
121.11469	1.6
126.05625	85.6
135.08084	2.0
141.09201	4.4
149.06087	2.2
151.07652	3.2
170.04562	4.6
177.05605	2.5
177.09250	3.5
179.07111	3.6
204.03371	100.0
205.03641	4.2
205.08801	3.1
229.11143	1.8
245.11732	3.0
258.69562	1.7
263.13034	8.8
289.16635	2.3
421.21133	2.5
467.19116	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	466.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.6
62.67699	1.6
71.01376	5.0
71.05019	3.3
73.02953	5.0
83.01402	4.6
85.02945	2.9
94.48627	1.8
96.04548	10.3
96.61343	1.4
98.02490	2.2
98.06122	6.8
101.02425	3.0
113.02470	2.3
115.09715	1.6
121.11469	1.6
126.05625	85.6
135.08084	2.0
141.09201	4.4
149.06087	2.2
151.07652	3.2
170.04562	4.6
177.05605	2.5
177.09250	3.5
179.07111	3.6
204.03371	100.0
205.03641	4.2
205.08801	3.1
229.11143	1.8
245.11732	3.0
258.69562	1.7
263.13034	8.8
289.16635	2.3
421.21133	2.5
467.19116	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	466.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.0
61.98511	4.9
61.98836	100.0
69.71532	4.4
69.71890	8.6
70.93264	2.7
71.01405	7.5
73.02951	16.2
88.26505	2.5
101.02448	9.0
123.05811	2.6
124.02967	3.2
126.05597	5.3
143.03493	2.9
153.64217	2.2
155.10791	17.1
204.03375	7.2
244.10657	8.9
262.11694	5.8
317.55191	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	466.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15548	5.0
55.58841	4.8
59.01389	55.8
59.04966	4.9
61.98837	100.0
69.95341	14.1
71.01393	8.1
78.95901	10.6
85.02956	11.2
97.06602	4.6
102.74332	5.2
118.95741	4.9
130.31390	4.4
133.02983	5.2
156.25070	5.3
171.70581	4.9
182.48572	4.7
201.09142	11.4
231.14082	6.2
243.13852	8.1
249.14993	9.5
290.37305	5.0
299.16571	26.5
299.64590	4.8
324.25076	5.4
343.15570	10.7
403.17682	17.2
459.06808	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	466.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15548	5.0
55.58841	4.8
59.01389	55.8
59.04966	4.9
61.98837	100.0
69.95341	14.1
71.01393	8.1
78.95901	10.6
85.02956	11.2
97.06602	4.6
102.74332	5.2
118.95741	4.9
130.31390	4.4
133.02983	5.2
156.25070	5.3
171.70581	4.9
182.48572	4.7
201.09142	11.4
231.14082	6.2
243.13852	8.1
249.14993	9.5
290.37305	5.0
299.16571	26.5
299.64590	4.8
324.25076	5.4
343.15570	10.7
403.17682	17.2
459.06808	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	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.5
58.06291	2.6
59.01389	48.4
61.98822	7.9
71.01389	69.2
71.05045	2.9
71.84190	2.8
73.02956	19.0
82.59917	2.6
83.01385	8.0
85.02969	32.6
86.00082	6.3
87.00877	18.6
89.02469	23.8
90.31058	2.8
95.01378	5.5
96.97302	2.8
97.02996	3.2
99.00881	12.8
101.02450	44.2
111.04557	3.4
113.02456	26.4
119.03473	2.9
122.03770	3.2
125.02457	5.5
129.01938	3.3
129.09294	3.3
131.03467	4.7
135.04546	10.2
143.03412	3.4
149.04562	7.7
149.06013	4.4
150.06879	5.3
151.07727	4.6
159.02991	8.7
161.02486	4.2
161.04561	33.5
162.49513	3.5
179.03525	5.0
184.73007	2.9
201.11411	16.5
205.55336	3.0
233.06584	3.7
259.72809	3.4
263.13037	5.1
291.14523	100.0
292.14850	4.4
293.08731	5.5
423.18759	81.8
424.19101	8.2
430.13797	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	466.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78418	2.7
59.01384	100.0
71.01388	8.9
73.02954	17.1
76.23938	2.3
85.02953	21.3
90.02484	2.6
93.03519	3.7
97.06624	3.4
98.21787	5.2
101.02450	8.9
107.40586	2.3
111.04524	4.7
113.02438	4.1
134.03699	4.0
135.04581	5.4
137.06090	5.2
148.05328	2.4
191.01912	4.6
215.10791	5.4
230.13126	4.4
231.13940	7.5
233.11789	9.4
243.13998	15.2
245.15610	7.3
247.13417	6.3
249.15002	20.1
261.15073	6.1
273.14890	3.9
275.16711	3.3
285.14911	6.0
291.15964	6.4
299.16388	4.8
303.16006	19.4
304.16409	3.5
315.16019	12.4
321.17020	9.3
333.17249	7.2
345.17010	5.2
363.18149	25.6
364.18195	3.3
375.18179	19.6
393.18997	6.1
407.20807	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32779	0.8
51.10961	0.9
59.01373	3.2
67.10423	1.0
68.94167	0.9
71.01382	15.0
77.48291	0.8
84.32446	1.0
88.04047	65.1
88.98794	1.5
89.02444	2.4
114.01987	3.4
115.00386	20.5
121.02982	1.0
132.03035	64.1
132.04620	2.1
133.03419	1.3
144.04559	7.0
146.06131	62.5
147.06480	1.7
162.05637	13.1
172.04053	31.1
189.04970	2.2
189.06702	44.3
190.05118	18.0
190.06880	2.2
191.05540	1.1
243.07732	4.0
261.08807	15.1
262.09399	1.1
287.06796	1.9
288.67429	0.9
305.07794	17.0
306.07788	1.3
308.11374	1.1
351.12036	5.8
352.10382	15.3
353.10828	1.7
449.12241	5.0
467.13074	100.0
468.13437	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	467.1924
Annotation	Paucin
Peak:m/z	Relative Intensity
51.66011	1.1
57.38097	1.1
59.01085	2.2
59.01382	39.4
69.26498	6.8
71.01392	10.8
72.99267	1.1
73.02956	23.6
81.03455	2.2
83.01400	4.1
83.05040	3.0
85.02950	7.3
85.06506	1.2
87.00870	1.7
89.02443	1.7
93.03467	6.8
99.04478	1.2
101.02454	10.9
107.05042	37.4
108.02166	4.3
108.05431	1.1
109.02962	12.8
111.04531	7.4
111.08177	5.8
112.05264	1.1
113.02460	5.9
113.06071	1.9
121.06625	5.2
122.03761	11.3
123.04552	7.2
123.08162	1.4
123.64078	1.2
126.05645	2.2
131.03513	1.1
133.06602	9.0
134.03772	1.9
135.04543	4.8
135.08165	11.4
136.05292	3.1
139.07651	15.9
141.09271	9.2
149.06081	19.2
150.06865	3.6
151.07661	36.0
161.04675	1.5
161.06081	23.8
162.03247	1.5
162.06447	1.7
163.07704	2.9
167.96019	1.1
170.04556	1.5
177.05579	10.4
185.09758	2.0
189.05588	10.7
191.01947	1.7
197.09639	2.7
199.11446	1.8
201.12773	1.5
204.03281	3.5
205.03639	1.4
209.09666	9.6
211.07690	4.2
212.08453	5.0
217.12347	20.0
218.12608	1.3
225.09206	1.5
225.11288	1.2
227.10786	100.0
228.11064	4.8
234.12512	1.9
235.13356	14.3
236.13647	1.2
245.11852	29.4
261.11172	1.1
262.12170	6.6
263.12888	40.8
264.13193	2.0
407.17166	1.1
436.56671	1.1
467.18845	2.5
472.00461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95381	0.7
53.78139	0.7
55.01880	1.1
57.03441	1.4
59.01386	36.9
61.70970	0.8
65.37284	0.8
69.29442	1.1
69.29728	4.5
71.01398	8.0
73.02574	1.7
73.02955	21.4
81.03459	2.2
83.01389	4.4
83.05045	1.1
85.02962	5.6
87.00916	1.3
89.02438	2.4
93.03461	5.3
97.02965	1.3
97.06606	1.1
99.04506	4.8
101.02455	10.3
107.05042	40.2
108.02181	5.4
109.02963	14.3
111.04559	4.2
111.08164	4.9
113.02454	4.4
119.04982	0.9
120.05791	1.8
121.06583	6.4
122.03710	4.7
123.04543	6.0
123.08129	0.8
125.06100	1.9
126.05616	2.4
131.03468	0.9
133.06613	7.5
134.03767	1.5
135.04497	2.1
135.08189	15.1
136.05301	2.1
139.06616	1.4
139.07669	19.8
141.09224	3.4
145.06584	1.2
147.66359	0.8
148.05298	0.8
149.04980	1.2
149.06116	9.1
150.06769	0.9
151.07668	34.3
155.03519	0.8
160.05190	0.8
161.04701	1.2
161.06090	24.9
162.06468	1.2
163.07695	3.9
177.05612	4.4
177.09245	1.4
179.03456	1.5
183.11818	1.5
185.09695	2.6
189.05589	10.0
190.06224	1.3
191.65851	0.8
197.09760	2.8
199.11301	1.9
201.12944	1.0
204.03419	1.6
205.08646	1.9
209.09740	8.6
211.07666	5.8
212.08458	4.7
217.12346	17.8
227.10793	100.0
228.11101	5.8
235.13422	5.5
245.11853	25.4
246.12219	1.6
262.12033	2.0
263.12900	22.4
264.13290	0.9
290.15897	0.9
315.74368	1.0
407.17062	0.8
467.18933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23166	0.3
64.98766	0.3
69.68873	0.9
69.69265	0.8
84.93848	0.4
99.92591	6.4
100.93371	44.4
101.93392	2.2
115.92085	100.0
116.92090	4.5
116.92877	7.5
132.92415	1.0
136.01563	0.3
142.94514	0.6
155.95259	0.4
172.95468	6.9
202.44809	0.4
275.11902	0.3
293.24951	0.8
367.25809	0.4
393.17215	0.6
409.16885	0.6
419.19223	1.1
449.20163	0.7
467.20984	5.3
468.21454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68437	2.3
59.01385	100.0
64.37803	1.7
64.65625	1.8
70.22340	5.0
84.66280	2.1
85.02963	5.6
98.21992	2.4
142.99927	2.0
156.00571	2.2
174.01740	11.1
184.93822	2.2
204.04291	3.5
217.05112	3.2
231.13930	2.6
249.15097	5.4
261.14975	2.5
268.14584	2.2
271.13513	5.3
301.18137	6.8
314.15143	2.8
326.07974	4.5
329.17670	5.1
347.18671	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	467.2807
Annotation	Zhankuic acid A
Peak:m/z	Relative Intensity
55.42577	1.0
61.98823	1.0
65.09977	1.0
69.69686	4.3
86.82796	1.1
98.21926	1.6
100.93372	1.9
114.63692	1.1
115.92083	4.3
117.03480	45.8
118.04277	23.5
119.05012	4.5
121.02968	37.7
123.04530	9.4
133.02982	7.9
134.03737	2.3
145.03004	3.9
154.96394	1.1
162.03217	18.8
163.03973	6.8
225.73975	1.0
266.86774	1.1
467.28067	100.0
468.28336	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	468.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13168	0.6
59.01384	1.9
61.98835	100.0
63.44404	0.6
68.72078	0.6
69.12668	3.4
71.01367	1.0
73.02947	1.0
80.91686	0.8
82.95445	2.3
83.05042	1.8
85.02986	1.9
89.02478	0.8
123.04578	0.8
133.02986	1.2
134.03783	1.1
135.04539	18.0
136.04895	0.8
158.62517	0.6
161.02478	2.6
171.70821	0.6
179.03508	3.3
202.70636	0.5
219.10158	0.5
243.17229	1.1
248.49646	0.6
249.64763	0.7
264.08832	4.5
267.77518	0.6
306.36520	0.7
321.08102	0.6
403.11395	1.0
409.17496	0.7
453.64496	1.4
468.15204	1.1
469.12820	3.1
469.33966	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01378	3.5
61.98835	100.0
62.48832	0.5
71.01392	1.8
72.99278	0.7
78.95902	0.9
85.02956	11.3
86.03294	1.5
89.02467	1.1
96.96033	0.6
98.02492	1.7
101.02476	0.8
111.00907	0.9
113.02473	0.6
115.00387	1.1
127.74733	0.5
129.01938	0.9
145.06200	0.8
147.03049	1.5
163.03816	1.9
172.52885	0.5
191.02022	3.6
192.02390	1.1
209.03104	1.4
209.06088	1.8
229.08537	0.7
247.09583	0.9
252.03055	1.2
261.60464	0.5
290.08319	0.5
296.05942	0.5
308.09424	1.4
331.76590	0.6
387.16843	1.2
409.14664	3.6
468.28281	1.0
469.22815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34001	1.1
60.47135	0.9
61.98835	100.0
69.31609	1.1
70.28342	3.1
71.45671	1.1
77.52174	1.0
81.51776	1.1
106.16938	1.1
113.83578	1.1
123.87772	1.5
129.50838	1.1
134.13577	1.0
140.36711	1.1
160.84236	5.2
196.38368	1.3
222.74780	1.3
244.41487	1.3
303.90057	2.5
319.21933	1.3
467.99292	1.7
489.42151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01382	6.9
61.98835	100.0
68.99824	6.8
70.64777	0.5
70.65108	0.6
71.01385	5.6
72.99312	0.8
73.02952	4.0
75.00871	4.0
85.02963	2.3
99.00890	17.8
99.04562	0.5
101.02454	2.5
113.02466	1.9
114.01976	3.1
115.00397	0.6
125.87329	0.7
133.02968	0.6
138.15628	0.6
157.96390	0.5
161.02478	0.9
161.04555	4.1
179.03482	0.9
184.66542	0.5
207.13945	2.3
208.29106	0.5
353.23590	0.8
390.19467	1.1
450.21509	0.8
468.22717	4.0
484.93967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98237	1.2
57.03464	1.6
59.01384	13.3
66.98523	1.3
67.90002	1.3
70.24089	1.3
71.01384	9.1
81.03357	1.5
82.01749	1.9
85.02948	10.4
85.04078	7.7
87.00868	3.2
89.02455	2.5
99.00948	2.2
101.02454	1.3
105.03485	2.0
107.05057	1.6
109.02955	3.1
112.49040	1.4
117.03524	1.5
118.98840	1.4
123.04577	2.2
127.02635	11.7
129.01976	2.5
129.03304	1.9
129.04202	21.8
132.02190	2.2
133.02966	37.2
134.03783	15.1
135.04543	90.0
135.73384	1.3
136.04857	2.0
137.02469	3.9
148.05341	2.0
149.02469	4.4
149.06105	8.5
151.04045	1.6
159.04463	1.6
160.01656	2.6
161.02458	85.6
162.02827	4.9
175.04021	3.1
177.01967	2.9
177.04065	2.6
177.05557	16.4
178.02708	4.4
179.03514	100.0
180.03833	4.3
181.05118	2.5
191.01942	1.7
202.06297	4.0
203.03522	12.1
209.03065	3.6
215.07091	1.9
221.04568	33.5
251.05603	23.2
279.05231	8.3
280.05679	1.6
281.06699	20.8
281.77841	1.5
293.06680	3.5
311.07645	3.0
339.07266	3.3
409.11127	1.4
423.12900	2.0
425.11996	2.5
469.11932	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	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01373	1.6
60.99311	13.2
61.98836	0.8
69.13287	2.7
71.01379	1.0
85.02957	3.7
86.03332	0.4
88.98811	100.0
89.99143	0.6
96.96043	0.7
147.02992	0.5
161.02448	0.6
163.04118	0.5
177.14525	0.4
179.03563	0.7
191.01958	0.5
209.03043	0.8
338.07736	0.4
353.10324	1.6
361.16614	0.5
469.17303	0.4
471.50803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29291	2.3
55.01870	2.6
59.01382	91.3
68.64738	2.4
69.36309	14.0
71.01028	4.7
71.01393	67.0
73.02960	11.9
83.01421	3.6
85.02966	12.6
89.02455	100.0
101.02450	52.1
113.02431	9.8
114.59793	2.4
119.03518	6.2
131.03526	30.7
135.04529	3.0
149.04565	82.2
159.14586	2.5
161.04510	5.7
174.30902	2.6
191.05696	14.0
217.89560	2.6
431.15591	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	469.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	16.2
69.03985	100.0
76.82805	13.6
105.11356	13.8
110.96914	13.4
175.38110	15.7
185.68517	13.5
260.64899	13.4
312.97101	14.9
365.55750	15.3
437.94250	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	469.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11851	1.8
58.00597	2.0
59.01385	100.0
61.98825	13.4
64.99807	1.4
65.46578	1.6
68.75848	1.3
68.84087	1.5
70.92874	1.4
71.01390	28.4
73.02956	42.4
75.00885	2.1
78.29834	1.5
83.01392	9.1
85.02953	11.1
87.00872	4.1
89.02456	17.5
98.61982	1.4
99.00894	2.1
101.02450	38.0
113.02452	16.1
116.05090	11.4
119.03521	6.6
119.24990	1.6
131.03465	3.6
133.02968	2.9
135.04558	2.4
143.03511	4.5
149.04686	2.1
153.09242	9.5
161.02431	6.4
161.04552	9.7
172.39578	1.5
204.06728	1.6
229.12524	1.6
247.13341	3.6
265.14417	5.1
313.37604	1.8
409.18292	2.4
427.19687	4.8
469.14801	2.0
476.53452	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	469.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
56.69461	0.9
57.03448	2.8
59.01386	100.0
60.01703	1.3
61.98808	1.5
69.03440	1.3
69.30540	5.4
71.01390	35.6
72.99317	1.4
73.02953	45.6
74.03313	0.9
83.01398	7.7
83.05025	2.5
85.02961	11.1
87.00861	3.0
87.04530	1.5
89.02456	16.6
93.80347	1.0
95.01418	2.7
97.02956	1.5
99.00891	2.3
101.02454	35.1
106.92950	1.0
107.05041	1.9
113.02464	14.4
113.06152	1.8
119.03481	6.2
120.05811	2.3
122.03694	1.1
125.02459	1.2
126.05566	2.0
127.06004	1.1
131.03461	1.7
131.07196	2.2
133.06607	5.2
135.08179	19.3
143.03497	1.7
147.08139	5.4
148.69382	0.9
149.04741	1.1
149.06104	2.8
150.06815	1.5
151.07607	1.2
161.04607	6.3
161.05818	0.9
163.07686	2.1
177.05551	1.1
177.09201	1.9
203.14517	1.4
204.03392	2.3
219.13901	1.4
227.23662	1.0
229.12321	3.8
235.13329	1.3
247.13399	28.8
248.13733	1.3
265.14526	8.3
292.11636	1.1
334.12750	1.7
335.49985	1.1
337.16595	3.7
354.24933	1.1
365.92584	1.0
409.18686	20.9
410.18982	2.3
427.19769	36.2
428.20291	3.4
469.20779	65.7
470.21088	7.8
490.88339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62081	20.1
60.56060	16.8
61.98834	44.1
63.25972	17.5
67.63963	16.5
72.99291	39.9
75.00878	43.5
86.75120	17.4
94.30869	17.6
112.98811	20.2
129.07445	18.9
130.70963	18.1
135.03029	31.1
160.84244	48.9
174.01718	100.0
241.71408	18.8
279.23248	24.9
295.22638	31.7
307.22803	41.9
315.19498	20.4
333.20724	58.0
341.40982	19.1
347.22253	41.7
351.21472	36.9
379.65472	20.3
387.91635	22.1
415.21100	19.1
433.22211	29.3
434.06979	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	470.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
62.14960	0.3
68.14317	0.3
68.17824	0.3
71.01393	1.5
75.18994	0.3
82.02985	0.5
85.02957	0.3
87.69869	0.3
89.02447	1.8
96.94897	0.3
101.02446	0.5
113.02447	0.4
119.03495	0.4
128.03552	100.0
129.03899	2.2
145.06189	0.3
154.34225	0.3
161.04584	0.3
179.05605	0.7
341.10895	3.2
469.45279	0.3
476.93991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.6
61.98838	100.0
71.01390	4.1
73.02957	1.5
85.02970	2.6
89.02478	1.5
101.02437	1.5
110.24718	1.2
113.02477	1.9
116.05083	2.8
117.26208	1.1
160.56107	1.4
161.02484	2.7
193.50665	1.2
371.21921	1.5
449.07547	1.4
471.31213	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	470.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86169	7.8
59.01381	100.0
61.98815	33.8
68.79640	7.0
70.46510	14.8
71.01379	32.5
73.02938	35.5
82.79301	7.1
85.02969	37.7
89.02459	14.9
98.22495	9.4
101.02446	22.3
113.02451	25.0
119.03538	9.5
126.05615	11.9
135.04541	12.8
144.04300	10.4
161.02547	14.5
177.80927	7.6
179.03442	8.5
191.02025	15.6
204.03308	16.8
205.03728	8.0
207.73419	7.1
225.67004	8.2
267.15619	8.7
300.49368	7.3
309.13568	12.3
359.42508	8.3
428.19904	9.7
470.21082	26.2
482.58887	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	470.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44063	0.9
59.01379	1.5
61.98833	100.0
70.04279	1.6
70.04606	1.8
98.21976	1.0
117.57834	0.7
120.50161	0.7
148.65286	0.7
190.88348	0.8
197.80405	0.8
335.08194	0.9
396.37314	1.0
406.77524	0.8
407.75528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63031	0.7
59.01384	18.3
61.98828	0.9
64.66842	0.7
69.03436	1.3
71.01386	21.6
73.02947	4.0
74.57327	0.9
75.00876	7.5
78.95918	1.1
85.02944	4.9
87.00871	1.4
88.98814	2.3
89.02419	2.1
93.03465	3.4
96.96998	0.7
99.00891	2.7
99.04518	1.0
101.02431	3.7
109.02937	2.6
113.02469	3.3
115.00375	16.4
116.00743	0.9
119.05018	2.4
121.02972	13.5
125.02464	1.2
129.01924	1.2
133.01443	7.1
135.04526	2.5
135.08163	0.9
135.36122	0.8
145.02951	1.2
147.04443	0.9
163.04045	2.9
179.03453	1.1
179.05797	1.0
179.10789	1.2
193.06633	1.8
207.08163	1.2
209.06091	3.5
210.06837	2.5
211.13438	2.7
221.06129	3.9
222.06802	2.9
223.07587	1.1
235.07680	1.0
237.05580	12.8
238.06305	6.5
247.04059	1.0
248.04738	2.2
249.05592	5.4
249.14917	1.6
250.06398	0.8
251.07114	6.1
251.16429	1.4
252.07834	1.7
253.08691	2.6
265.05099	9.2
266.05826	28.4
267.06244	1.8
277.05164	1.0
278.05893	2.9
279.06522	1.8
280.07452	1.5
281.04645	2.8
281.08197	9.2
282.05472	1.3
297.07675	2.3
309.04056	3.1
310.04782	7.8
321.17050	2.5
324.06348	13.1
325.07172	100.0
326.07526	7.7
355.08292	22.5
356.08429	1.4
411.20178	7.9
424.42273	0.8
429.21460	1.9
471.22238	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	471.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.3
55.01870	0.3
56.01661	0.3
59.01381	5.1
68.24369	0.4
70.26088	0.4
71.01388	9.6
74.99091	0.7
81.99108	0.4
85.02953	1.7
87.00890	0.4
89.02460	2.4
95.88264	0.3
101.02467	1.9
111.00849	0.4
113.02460	0.7
115.00386	6.3
119.03527	0.7
119.04994	0.5
133.03001	1.5
134.03754	43.9
135.04048	1.0
136.99142	0.8
137.02452	3.2
138.03233	0.7
139.04034	1.2
147.04533	0.5
149.06102	13.4
150.03235	0.5
150.06386	1.0
161.02466	0.8
163.04045	0.6
167.01839	0.4
178.02731	27.4
179.03166	1.3
191.03500	0.5
192.04344	1.7
193.05072	100.0
194.05405	4.8
206.05811	0.5
207.06638	2.2
230.90494	0.4
233.87440	0.4
237.07706	1.5
248.56000	0.3
252.06436	2.9
253.06522	0.4
267.08774	8.2
268.09232	0.6
355.10385	13.2
356.10602	1.2
383.17352	0.5
387.45749	0.4
469.13818	0.4
471.19382	6.3
472.19067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
71.01389	18.6
72.99318	2.4
81.53538	0.7
85.02945	1.7
98.26627	0.7
101.02433	0.8
115.00372	6.2
133.02974	1.2
134.03757	49.3
135.04117	2.2
136.99123	0.8
137.02455	2.1
149.06100	15.9
150.03334	0.7
161.02490	1.6
162.98540	0.6
178.02745	17.3
179.03134	1.0
193.05074	100.0
194.05391	3.6
355.10370	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	471.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.1
61.00434	1.9
67.03008	0.9
71.01393	3.3
73.02925	0.4
83.01394	0.5
83.05041	0.5
85.02959	1.0
85.04073	2.8
85.99995	0.8
87.00896	0.5
87.34380	0.4
89.02457	4.1
96.73431	0.4
98.22759	0.6
99.00904	0.6
101.02464	2.2
103.37981	0.3
105.03460	0.8
106.89867	0.4
113.02464	1.5
117.03477	0.9
119.03538	1.3
121.03012	0.4
129.04211	0.6
132.02237	0.9
133.02972	25.2
134.03770	6.6
135.04539	12.9
137.02466	1.8
139.03995	0.5
159.89894	0.4
161.02460	100.0
162.02791	3.4
177.05540	1.0
178.02696	1.4
179.03522	9.4
179.05275	0.6
179.05637	0.5
218.95801	0.4
221.04575	1.9
229.01945	0.4
247.09297	2.7
251.05585	1.0
281.06644	2.0
309.10559	0.4
341.09134	0.4
367.10660	0.5
384.12833	0.5
409.12552	78.7
410.12909	6.9
470.34183	1.4
471.13745	9.0
472.13712	0.9
497.60187	0.4
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
55.01877	0.5
56.91623	0.3
57.03449	1.3
59.01382	10.9
68.99821	37.2
69.55543	0.6
70.00124	0.3
71.00978	0.3
71.01385	9.3
73.02951	10.1
78.55904	0.3
78.95904	0.3
83.01402	1.0
85.02953	4.1
87.00911	0.4
89.02451	5.0
95.01411	0.9
99.00887	100.0
100.01199	1.3
101.02450	5.9
113.02462	4.6
117.01956	1.2
119.03519	2.2
119.05022	0.8
139.98512	0.3
143.03532	0.7
147.12950	0.3
149.04547	0.3
152.99640	0.4
156.15530	0.3
159.02975	0.8
161.02504	0.7
161.04575	4.0
163.04030	1.2
164.08504	0.3
172.40669	0.3
174.56612	0.3
179.05602	2.0
183.13838	0.3
209.15460	0.6
211.13417	2.7
319.24133	0.3
325.09348	0.4
371.20779	1.4
439.19717	0.3
440.73279	0.3
471.22073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01384	100.0
60.01724	0.6
61.98830	2.2
71.01383	5.3
73.02952	3.9
77.85447	0.5
81.95841	0.4
83.01398	1.5
85.02956	4.1
87.00903	0.8
89.02469	1.6
101.02458	3.6
107.05087	0.5
110.67924	0.5
113.02487	1.8
118.98123	1.0
121.06643	0.5
125.02493	0.7
131.01791	0.6
131.03540	0.8
133.02986	0.9
133.06673	0.6
134.03772	0.6
135.04543	1.3
135.08202	0.5
149.06114	2.9
161.02478	1.6
161.04605	0.9
177.05588	33.5
178.05988	1.5
179.03546	1.2
191.02069	1.1
192.11668	0.6
196.46280	0.5
203.05682	1.7
207.13907	4.6
207.15546	0.4
238.05327	0.5
249.15034	0.6
265.14487	0.8
267.15936	0.9
293.08740	0.4
307.75272	0.5
319.08127	0.5
360.16837	0.4
449.63092	0.5
471.14551	0.7
471.22263	3.1
471.65308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01384	100.0
60.01710	1.0
61.98834	2.7
70.41818	1.4
71.01392	11.1
72.99319	0.8
73.02956	13.2
73.03327	1.2
75.00900	0.7
78.95900	0.7
83.01385	3.7
84.47279	0.6
85.02957	11.7
87.02775	0.7
89.02457	4.0
95.01426	0.8
101.02459	11.1
113.02486	5.7
118.98142	0.7
119.03548	1.3
129.02011	0.7
131.03505	1.1
133.02936	1.2
133.06654	0.7
135.04575	2.8
135.08220	2.0
147.03049	0.8
149.04593	0.9
161.02484	2.1
161.04642	1.9
179.03580	1.6
187.11421	1.0
191.02040	2.6
207.10262	1.1
209.03105	0.9
231.10190	0.8
249.11394	0.9
249.14839	1.7
265.14560	0.9
267.15833	0.9
351.07019	0.7
365.29044	0.8
411.20187	0.9
429.21481	1.2
471.22806	4.6
477.93036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
74.22612	1.1
110.28850	1.3
131.05334	1.2
132.86310	1.1
134.54494	1.4
160.69730	1.2
394.75430	1.2
471.34811	100.0
472.35089	13.0
489.00317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
64.68661	0.2
70.46349	0.2
70.46663	0.3
73.66716	0.1
101.25803	0.2
105.46930	0.2
212.77725	0.2
271.07736	0.2
340.25391	0.2
392.85019	0.2
393.31638	1.3
405.31677	0.6
471.34814	100.0
472.35165	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34734	1.3
75.24846	1.4
77.50497	1.0
91.11455	1.4
194.86328	1.4
339.06015	1.6
362.27637	1.4
471.34805	100.0
472.35245	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	472.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
59.05555	0.3
61.98835	100.0
65.63632	0.4
71.01400	0.7
83.26996	0.4
85.02969	0.6
88.91764	0.3
101.02477	0.7
119.05083	0.6
135.04565	1.7
163.04034	0.7
175.04045	0.4
179.03566	1.4
206.94731	0.4
390.17807	0.5
412.18634	0.5
458.65240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01385	100.0
61.98823	3.1
62.74332	1.6
69.84610	5.5
71.01394	29.3
72.99321	1.9
73.02956	16.8
75.72775	1.7
83.01402	5.9
83.05103	2.5
85.02956	21.6
87.00890	2.6
89.02464	22.1
95.01397	3.2
98.21915	1.9
101.02447	25.3
113.02467	20.3
119.03532	7.5
125.02476	2.4
131.03496	4.0
133.02962	2.5
135.04549	10.0
136.79297	1.7
138.37512	1.6
143.03500	2.5
147.03009	1.9
150.70111	1.6
156.60834	2.1
161.02454	7.6
161.04567	4.0
163.06102	2.9
179.03500	7.6
179.05638	1.8
191.02040	6.4
201.01657	1.6
209.03110	2.8
430.21027	3.5
449.24033	1.7
472.21762	21.7
473.14987	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	472.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
57.03436	3.0
59.01383	100.0
61.98833	2.8
69.16246	12.9
71.01386	34.5
73.02956	16.9
83.01387	6.1
85.02959	26.5
86.03303	2.9
89.02454	22.7
94.98061	2.0
95.01392	3.5
99.00910	1.9
101.02461	21.7
102.05630	2.2
109.48463	2.0
113.02460	17.5
119.03528	8.3
131.03503	1.9
133.02960	2.3
135.04532	8.5
161.02480	5.7
161.04572	4.1
163.06216	4.5
179.03516	9.3
179.05739	2.5
191.02008	6.6
209.03012	2.8
294.83450	2.3
396.76105	2.7
430.20798	3.6
472.21887	19.8
473.15375	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	472.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71064	4.7
59.01382	100.0
70.38967	6.5
71.01379	9.1
73.02959	6.6
82.85915	5.8
83.01345	4.7
85.02945	8.4
92.82533	5.2
96.96014	24.5
99.00780	4.8
101.02444	10.6
123.19402	4.2
135.04553	4.9
145.37991	5.0
149.77420	4.5
160.01709	9.2
175.03999	8.8
186.11053	5.4
193.05046	10.7
225.14888	5.0
342.16580	5.3
375.66089	5.1
413.07657	7.3
472.16519	4.8
473.16211	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	472.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
64.33016	15.6
69.12271	78.3
69.12666	25.4
71.01399	15.2
98.22627	36.0
145.10117	12.8
182.17548	15.0
188.33116	14.4
274.88702	14.1
289.49417	15.5
318.38092	17.7
361.40973	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	472.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33664	4.4
59.01384	100.0
61.98829	4.7
69.77294	16.6
71.01388	19.8
73.02946	8.2
85.02979	27.3
86.68344	4.8
86.96941	4.9
89.02451	13.0
101.02471	11.4
113.02449	13.8
135.04520	11.4
137.43864	5.1
142.46724	4.6
155.42244	5.0
161.02425	8.7
179.03496	7.5
196.38939	4.6
240.82265	4.7
295.46555	4.7
297.90424	5.0
321.30313	5.6
362.69583	4.7
396.73251	5.5
458.14548	7.0
458.64572	6.6
472.22217	11.1
473.14880	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	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62121	0.5
57.03450	0.9
59.01384	21.5
61.03853	0.5
69.81741	1.5
71.01385	17.1
72.99299	0.9
73.02943	5.6
73.57551	0.5
75.00895	0.8
78.95820	0.5
83.01373	1.8
85.02956	6.1
87.00877	0.7
89.02449	10.1
98.22661	0.6
99.00890	7.2
101.02448	6.1
109.02950	1.3
111.00913	1.1
113.02454	3.7
115.00381	4.1
119.03527	1.1
119.05040	4.0
121.02958	1.1
123.04547	2.0
125.02473	0.9
131.03517	2.6
132.02182	2.2
133.02971	30.0
134.03749	1.7
135.04543	20.4
136.05325	6.8
137.02400	0.7
147.04575	0.7
149.04582	3.5
149.06104	1.3
151.07651	1.4
161.02457	100.0
162.02808	4.8
175.04074	1.1
177.05577	3.1
179.03503	27.2
180.03873	1.8
191.01935	1.5
191.05617	3.6
195.06638	58.3
196.06996	2.3
203.03627	3.1
203.05365	1.0
210.86385	0.6
221.04588	3.4
232.00529	0.6
241.11078	0.6
281.10245	1.3
283.66006	0.7
299.11331	1.4
311.07962	3.1
327.09308	0.8
341.08591	0.9
341.12433	1.1
357.11954	10.0
358.12610	0.9
371.08896	1.1
431.15610	2.0
473.12302	12.5
474.13275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
59.01384	100.0
61.59650	1.2
65.36904	1.0
69.15953	2.0
69.16348	5.4
71.01389	49.8
72.99331	1.4
73.02951	36.8
81.03438	1.1
82.95427	1.1
83.01379	4.9
84.95139	6.1
85.02954	12.8
87.00881	2.4
89.02448	44.0
95.01398	3.7
96.96001	2.9
97.02952	1.7
99.00892	79.7
100.01240	1.8
101.01802	2.2
101.02449	34.1
111.00893	1.1
113.02463	27.6
115.00428	1.2
119.03559	9.2
119.05030	30.5
120.05418	1.6
125.02477	5.0
131.03500	9.0
135.04532	1.9
135.13821	1.1
137.06082	4.3
143.03490	4.2
149.04576	25.7
155.03497	2.5
161.04543	11.0
179.05629	1.6
191.05621	29.1
197.62395	1.0
201.11275	3.7
203.05614	12.7
209.11800	2.3
221.06691	1.2
233.06720	3.4
241.10744	2.0
281.10306	22.5
282.10764	2.1
299.11371	9.7
341.12415	13.3
358.19565	1.6
413.14487	4.5
431.15613	28.0
432.15732	2.5
473.16705	58.7
473.59793	1.1
474.16727	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	473.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	84.6
61.98825	49.6
69.75822	17.7
69.76170	41.5
71.01377	44.3
85.02970	18.5
91.34589	13.0
95.04990	18.4
97.06617	15.2
103.22255	12.1
135.04541	26.1
161.02553	20.4
171.10197	16.3
179.03525	41.3
180.85609	13.6
184.47163	14.6
195.26720	13.5
210.78221	13.3
248.14168	32.4
278.75726	15.3
312.84070	14.0
395.18445	54.3
413.19818	62.2
431.20694	44.5
473.21622	100.0
473.27075	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	473.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	12.5
71.01393	40.4
73.02939	17.4
85.02953	16.3
98.22681	41.7
101.02436	27.7
106.82971	12.0
111.04523	18.4
113.02448	16.0
119.70547	11.2
133.01428	21.1
133.03059	14.5
135.04553	14.9
143.52414	13.7
146.19382	12.8
149.23177	13.1
153.36975	13.0
161.02434	38.7
179.03505	40.4
226.97200	13.6
247.13489	14.3
293.13968	14.3
309.54489	12.8
345.17102	36.3
405.05145	11.8
473.18311	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74086	0.4
54.14231	0.4
55.01889	1.0
57.03453	1.3
58.00596	0.5
59.01384	100.0
59.30891	0.4
60.01722	1.2
69.03467	0.7
71.01386	27.6
72.99335	0.6
73.02952	19.3
74.12200	0.4
83.01393	4.0
85.02961	13.2
87.00888	1.2
89.02451	19.9
89.29151	0.4
95.01400	2.8
97.12407	0.4
99.00932	0.9
101.02451	20.2
113.02462	24.1
119.03509	7.6
122.54823	0.4
125.02457	1.1
131.03555	2.5
135.04584	0.8
143.03508	2.6
149.04582	1.5
150.88951	0.4
161.04553	4.9
161.05676	0.4
179.05623	3.7
191.01979	0.9
203.05930	0.4
233.12413	0.4
251.16357	0.4
269.17932	0.6
383.21115	0.5
413.21606	2.3
431.23282	0.6
470.57245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55509	0.3
53.53961	0.3
54.09696	0.3
55.01875	0.8
55.46537	0.3
57.03456	1.3
58.00613	0.5
59.01384	100.0
60.01719	0.9
62.70672	0.3
64.40096	0.3
69.03466	1.1
69.17641	0.7
69.18056	1.5
71.01387	24.1
72.01726	0.5
72.99331	0.5
73.02952	45.7
74.03233	0.4
75.00889	0.7
79.42810	0.3
81.03474	0.3
83.01395	9.9
85.02958	8.1
87.00888	1.2
89.02450	16.4
95.01377	2.3
97.02983	1.0
99.00872	0.5
101.02451	32.0
102.02773	0.5
113.02459	17.0
119.02673	0.4
119.03507	7.0
125.02432	1.2
131.03534	3.3
135.04449	0.4
143.03526	3.0
147.02930	0.5
149.04564	2.4
155.03471	1.1
161.04556	8.2
179.05614	3.7
191.01927	0.7
200.78665	0.3
203.05534	0.5
207.76506	0.3
269.61316	0.4
413.21225	1.5
431.22391	0.5
473.21497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37711	0.4
55.01887	0.6
57.03449	1.1
57.15157	0.4
58.00618	0.4
59.01386	100.0
60.01722	0.8
65.14870	0.4
70.94574	0.5
71.01390	20.2
72.99308	0.4
73.02955	16.5
74.03291	0.4
75.00897	0.6
83.01398	3.9
85.02959	8.8
87.00908	1.0
89.02454	12.5
95.01421	1.4
97.02992	0.4
99.00907	0.8
99.04572	0.6
101.02458	13.3
113.02464	17.1
118.98067	0.8
119.03526	4.2
125.02541	0.5
125.88995	0.5
131.03537	1.7
135.04564	1.0
143.03561	1.7
147.03059	0.7
149.04597	1.1
161.02480	0.6
161.04544	3.3
179.05704	1.5
191.02016	0.9
209.03195	0.5
251.16632	0.6
413.22211	0.8
439.14084	0.5
473.23499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03456	2.2
58.81657	0.6
59.01383	100.0
60.01724	1.3
61.98825	0.8
68.58717	0.6
71.01388	25.4
71.39812	0.6
73.02954	16.9
73.03372	1.1
73.36537	0.6
83.01398	4.8
85.02959	14.0
87.00879	5.0
89.02465	9.2
95.01434	2.2
96.96036	1.6
97.02979	1.1
99.00899	3.3
101.02451	24.5
107.00838	0.7
113.02467	13.3
113.49883	0.7
118.98082	0.7
119.03535	3.1
125.02468	1.6
129.02010	0.8
131.03574	1.2
133.03015	2.0
134.03790	1.3
135.04543	14.1
136.04868	1.4
137.02487	0.9
139.04022	0.8
143.03563	1.8
147.03050	0.8
149.04594	1.3
150.03229	1.3
159.03014	1.9
161.02530	6.5
161.04568	19.7
162.03195	0.9
162.04871	0.7
167.63910	0.6
177.05551	0.9
179.03517	9.8
179.05031	0.9
179.05716	0.7
180.03973	2.0
184.14574	0.7
191.02040	1.5
243.86177	0.8
251.16609	2.3
392.62808	1.4
413.21863	31.1
414.22299	3.2
458.64584	6.7
459.14999	1.4
460.96130	0.8
472.66095	1.0
473.14563	5.0
473.65460	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03451	0.4
59.01383	100.0
60.01703	1.0
64.71287	0.4
69.03468	1.4
71.01389	22.5
72.99292	0.7
73.02952	50.5
74.03309	0.6
74.29825	0.4
75.00885	1.1
83.01392	10.8
85.02956	6.1
85.04604	0.4
87.00905	1.2
89.02455	9.3
95.01410	1.5
97.02994	0.7
98.21922	1.2
101.02452	32.5
102.02780	0.5
113.02466	15.0
119.03505	4.7
125.02481	1.4
131.03531	3.1
131.77272	0.5
143.03506	3.2
147.03087	0.5
149.04570	2.8
155.03523	1.3
161.04578	7.9
179.05771	0.6
203.05650	0.8
221.06721	0.6
272.49042	0.5
398.05273	0.5
413.22189	1.1
431.23083	1.7
473.24124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37334	0.6
54.03708	0.7
59.01382	100.0
59.52179	0.6
60.01720	1.6
61.19403	0.7
61.98832	0.7
66.05999	0.7
69.31744	3.9
78.95963	0.7
80.59789	0.9
93.42710	0.8
98.21859	1.6
118.96947	1.0
143.14050	0.7
143.74173	0.7
148.11574	0.7
244.19647	0.7
250.38669	0.8
271.06396	1.1
363.43024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01735	1.2
61.98835	5.6
69.46766	1.5
71.01372	2.7
71.16488	0.5
72.99342	0.6
73.02944	2.1
73.89681	0.4
83.01399	1.0
85.02962	1.3
89.02462	0.7
101.02437	2.2
110.58990	0.5
113.02485	0.9
115.00357	0.9
125.49699	0.4
127.00313	0.4
133.03001	1.6
134.03775	1.1
135.04523	4.6
145.01483	1.7
161.02422	3.1
179.03476	4.2
211.13376	0.5
233.11729	0.5
275.09250	0.7
357.22974	0.6
473.17648	1.5
473.67871	0.5
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
55.57200	2.2
57.03440	3.0
58.26095	2.0
59.01384	100.0
61.98831	8.0
67.48848	2.1
70.96234	4.4
71.01385	31.7
73.02953	22.6
83.01381	7.1
85.02953	22.0
87.00881	6.7
87.04551	3.8
89.02458	12.0
94.95779	2.8
99.00907	7.8
101.02459	23.6
104.22140	2.4
111.00882	3.6
113.02451	12.8
120.99674	7.1
135.04556	4.2
147.21114	2.4
156.43478	2.6
161.02472	3.6
161.04567	6.1
179.03516	2.9
214.42194	2.7
221.85281	2.5
278.47693	2.5
387.23914	3.5
413.21762	7.6
431.22787	11.7
473.23929	88.3
474.24417	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35689	0.4
52.97310	0.4
59.01384	100.0
60.01721	0.6
61.98842	3.5
62.13954	0.4
69.35203	1.7
71.01372	2.3
73.02982	0.7
85.02972	0.9
89.02434	0.5
99.00890	0.4
101.02459	0.9
113.02502	0.9
115.00446	0.4
125.34199	0.4
133.02968	0.6
135.04550	0.8
141.33717	0.3
158.10829	0.5
161.02496	1.0
171.10327	1.0
177.01997	0.6
179.03555	0.7
193.05104	0.6
225.15102	0.6
243.15993	0.5
305.73846	0.4
357.22824	6.0
358.23450	0.6
370.01483	0.5
393.86487	0.4
418.66989	0.4
473.17920	0.5
473.24265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23870	0.3
57.03447	0.4
59.01387	100.0
60.01726	1.0
61.98848	0.9
66.89834	0.3
69.64513	1.2
71.01391	5.0
73.02949	4.6
75.22833	0.4
80.91718	0.6
83.01407	1.3
85.02952	2.8
85.46112	0.3
89.02455	5.6
90.07587	0.3
95.01427	0.5
96.96053	0.4
98.21896	0.4
101.02467	4.7
113.02464	3.5
118.98120	0.5
119.03523	2.7
125.02466	0.4
131.03564	0.6
133.03020	1.1
135.04590	0.5
135.08194	0.4
143.03560	0.7
149.04591	0.6
154.18375	0.3
161.02510	1.3
161.04547	1.9
179.03581	1.0
179.05688	1.0
187.98390	0.3
191.02045	0.7
202.49887	0.4
209.67543	0.3
233.15335	0.3
251.16731	0.6
285.84280	0.4
413.22031	1.4
431.23053	0.5
473.18454	0.4
473.24423	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	474.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83198	0.5
59.01380	5.6
61.98835	100.0
69.29753	1.0
69.30137	1.2
71.01398	1.1
73.02950	0.5
77.61108	0.4
78.91912	0.5
83.60478	0.4
85.02966	1.3
85.50127	0.5
92.12218	0.5
97.02905	0.4
101.02477	0.7
112.56143	0.5
113.02489	0.7
133.03018	0.9
134.03815	0.6
135.04533	0.9
137.06090	0.7
160.01697	1.3
161.02483	0.9
175.04059	1.0
179.03529	0.9
261.75723	0.4
262.82565	0.5
475.15625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01792	0.2
51.42259	0.2
59.01379	3.3
61.98836	100.0
62.98536	0.3
69.83984	0.8
71.01408	0.5
73.02949	0.3
85.02963	0.7
98.21938	0.3
101.02450	0.3
133.02975	0.5
135.04558	0.7
151.04066	0.4
159.27046	0.3
160.01805	0.3
161.02478	1.1
179.03516	0.6
193.67043	0.3
289.42044	0.3
323.07593	0.3
343.34637	0.3
473.67355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78323	0.3
59.01382	1.4
61.98835	100.0
69.18591	1.2
85.02959	0.5
92.86939	0.3
101.02486	0.3
106.42384	0.3
161.02422	0.5
177.32208	0.3
179.03537	0.8
201.21747	0.3
204.33827	0.3
219.46599	0.3
253.68793	0.3
469.94629	0.3
474.17947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98835	100.0
69.50348	0.3
69.50646	1.0
71.01429	0.3
84.68813	0.2
85.02960	0.3
88.49989	0.2
93.03479	0.8
98.22620	0.4
101.47180	0.2
102.59100	0.2
135.04506	0.2
137.02458	1.8
146.64873	0.2
161.02510	0.7
163.07655	0.4
179.03529	0.2
194.40668	0.3
227.12961	0.3
227.52437	0.2
275.09552	0.3
474.20361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66331	0.4
59.01370	0.9
60.75912	0.4
69.11958	2.8
78.95911	38.6
96.96986	1.4
100.16760	0.4
109.08354	0.4
122.00159	0.7
127.13445	0.4
134.98436	0.4
140.01225	6.1
152.99608	4.8
171.00658	2.5
196.03819	13.5
196.05545	0.9
214.04924	2.7
275.20306	0.7
277.21750	100.0
278.22083	6.3
400.22772	0.6
429.90619	0.5
452.82468	0.4
474.26312	30.8
475.26685	3.3
482.00720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50679	0.2
57.85017	0.2
59.01377	0.9
61.14322	0.2
61.90502	0.2
71.01397	0.3
71.37531	0.3
78.95912	7.3
83.04993	0.3
122.00162	0.3
139.90605	0.2
140.01199	2.7
152.99586	0.8
162.83835	0.3
170.41516	0.3
196.03795	1.4
214.04892	3.6
233.22836	0.5
259.20651	0.3
277.21741	100.0
278.22067	6.6
474.26242	6.6
475.26559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82816	0.2
52.43142	0.2
53.29725	0.2
56.68729	0.2
57.03445	0.2
58.70957	0.2
59.01388	2.8
61.98840	1.6
71.01398	1.4
71.40672	0.2
72.99310	0.3
82.02998	0.4
84.93884	1.2
85.02950	0.6
89.02404	0.3
98.95661	0.2
99.00892	0.5
99.92593	11.4
100.92683	0.5
100.93369	9.8
101.02431	0.3
101.93394	0.2
103.00391	0.5
107.03806	0.3
110.06130	0.4
113.02472	0.6
114.94959	0.2
115.92091	14.6
116.92872	100.0
117.92888	4.6
117.93643	0.2
134.75294	0.2
135.04568	0.3
140.92845	0.5
141.93674	0.6
142.94431	1.2
154.05132	1.7
156.92303	0.7
158.93924	0.5
166.05145	0.6
169.93195	0.3
173.92593	0.3
183.94748	0.3
184.91864	1.6
184.95500	0.3
185.92508	0.2
195.13947	0.6
196.95505	0.4
197.04543	0.2
213.86325	0.2
235.11705	0.2
241.95354	0.2
259.96359	0.4
271.40811	0.2
325.04099	0.2
353.07025	0.7
354.07733	0.3
371.08130	3.2
372.08582	0.6
389.09158	3.3
390.09433	0.2
393.93085	0.2
394.19940	0.2
401.09167	0.6
413.09189	1.3
431.10117	3.0
432.10144	0.3
439.06903	1.2
475.09161	8.2
475.22632	0.5
476.09341	1.0
476.23389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65866	0.6
58.95013	0.7
59.01387	10.0
61.98836	57.2
69.03460	0.9
69.33566	3.3
71.01386	3.1
72.97551	0.9
73.02961	0.8
83.01377	0.8
85.02961	2.7
87.00867	0.8
91.98499	0.7
93.03468	62.3
93.19901	0.6
94.03815	1.2
101.02477	1.4
106.00613	1.0
111.08117	0.7
113.02374	0.8
117.03487	1.5
119.05054	2.6
120.75655	0.6
121.02966	17.6
123.00875	1.0
127.00356	1.1
131.03473	0.8
132.02165	1.1
133.02946	1.2
134.03741	3.4
135.04567	1.8
137.02458	100.0
138.02864	2.4
145.02969	7.5
149.04561	1.0
153.00165	0.8
153.05582	13.7
160.01666	6.4
161.02440	1.5
163.04031	4.4
165.12871	1.7
168.99673	0.8
175.04025	5.7
179.03569	1.1
182.02158	1.3
183.12572	0.8
183.13879	4.1
184.26616	0.7
193.05052	1.8
197.04572	45.4
198.04918	1.6
227.12909	6.7
233.08159	1.7
327.21939	1.5
329.08780	4.9
337.09280	2.7
357.09750	1.4
374.42493	0.8
389.06934	5.8
475.25024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.5
60.01693	1.0
61.98833	12.6
69.03452	3.5
70.11653	1.4
70.11993	2.1
71.01383	4.2
72.99306	0.9
75.00864	1.7
78.01094	1.3
89.00343	2.1
89.02448	1.5
91.01891	1.8
94.00269	1.0
95.01373	1.0
106.00616	3.4
113.02473	1.5
115.00384	1.3
117.03473	14.6
119.05029	8.1
121.02966	40.6
123.00893	3.0
131.03459	1.3
133.02969	2.0
134.03828	1.1
135.04543	2.1
138.03235	4.8
145.02966	100.0
146.03320	3.9
149.04576	1.8
153.05589	27.0
160.01593	1.1
161.02431	2.5
163.04039	7.6
166.99887	1.5
175.03914	1.2
179.01878	2.5
179.03479	2.2
182.02223	4.4
197.04568	90.1
198.04933	3.6
233.08215	24.6
271.13782	1.8
304.87366	1.0
329.08713	5.2
359.15323	6.3
378.40457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42601	7.8
59.01366	10.1
69.44787	32.7
71.01391	24.0
72.99313	18.5
75.40524	8.6
89.02461	22.1
92.67345	10.5
102.31830	9.0
115.00395	36.8
132.94647	16.2
133.01430	100.0
169.00543	9.1
211.59715	10.4
313.65152	8.5
341.10861	12.6
376.93442	9.1
382.37387	8.4
500.05035	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
59.01386	8.4
63.82705	0.7
69.21508	2.6
69.21919	2.0
71.01386	16.8
73.02959	3.3
85.02956	6.4
86.60596	0.7
87.04517	2.4
89.02449	3.4
90.51584	0.8
97.02962	1.2
101.02443	2.6
113.02440	3.6
115.00385	12.3
116.29867	0.7
119.03484	0.7
129.01965	0.9
133.10161	1.0
135.04532	1.5
135.08197	4.5
145.92996	0.9
153.09225	54.6
154.09563	2.7
161.04507	1.6
197.08205	100.0
198.08553	4.6
221.08191	2.7
231.93956	0.9
239.09225	4.1
273.27167	0.8
274.61401	0.8
299.11472	1.6
351.57483	0.7
359.13528	19.0
360.13828	1.6
483.31976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96413	0.8
55.01876	1.9
56.56080	0.7
59.01390	4.8
68.75374	0.7
71.01392	16.9
71.17600	0.9
71.65469	0.7
73.02932	2.6
73.44933	0.8
83.01410	0.7
85.02960	2.4
87.04519	2.3
89.02444	2.5
91.99400	0.7
101.02428	1.1
102.32143	0.7
113.02433	3.1
115.00387	11.8
116.00806	0.8
132.79193	0.7
133.10307	1.0
135.08234	4.1
153.09229	57.1
154.09549	2.2
174.67020	0.8
177.09245	1.6
179.07158	1.1
197.08211	100.0
198.08534	4.4
219.05046	0.8
221.08229	3.1
239.09235	2.9
269.10196	1.2
284.74646	0.7
299.11322	1.1
326.56824	0.7
359.13535	20.2
360.13889	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03436	2.0
59.01384	12.3
71.01024	1.7
71.01391	24.3
72.08679	1.0
72.99316	1.7
73.02937	3.6
75.00873	1.4
78.97145	1.0
85.02956	21.5
87.04527	3.0
87.91759	1.1
88.98847	1.5
89.02452	4.6
95.01362	1.9
98.38152	1.2
98.95588	1.1
101.02464	3.0
113.02471	13.3
115.00393	15.6
115.92043	1.2
123.04610	1.2
129.01930	3.1
133.01462	1.3
133.10223	3.1
134.03714	2.9
135.08147	4.3
147.02979	1.9
153.09227	65.4
154.09576	3.1
161.04593	1.7
177.09203	2.1
183.72163	1.1
197.08208	100.0
198.08553	4.8
204.45410	1.0
221.08179	2.7
239.09290	5.1
299.11353	2.4
359.13559	21.6
435.15121	1.2
475.18839	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	475.1459
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
59.01386	22.8
61.98836	4.9
65.29799	0.7
67.29339	0.6
68.33398	0.6
71.01381	4.9
73.02979	0.9
85.02950	3.2
87.00861	1.1
89.02452	4.1
93.03430	1.5
95.01418	0.6
96.26868	0.7
96.96034	1.7
98.21855	2.4
99.00908	1.5
101.02463	1.8
104.72339	0.7
107.05024	1.7
108.58495	0.8
109.02963	8.0
109.06599	4.5
113.02452	3.1
119.05045	4.0
121.02971	6.2
122.03828	1.0
125.02460	1.0
133.02989	1.4
135.04549	11.7
137.06099	34.3
138.06473	1.4
151.71483	0.8
161.02467	2.2
161.04622	1.0
164.78255	0.8
175.04007	1.4
177.05476	0.9
179.03503	3.6
179.07152	1.4
181.05077	100.0
182.05428	2.9
191.01923	1.0
223.06129	2.6
325.09268	3.4
343.10376	15.3
344.10504	1.5
458.14212	2.1
475.14554	70.0
476.14987	6.7
498.52081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96413	0.8
55.01876	1.9
56.56080	0.7
59.01390	4.8
68.75374	0.7
71.01392	16.9
71.17600	0.9
71.65469	0.7
73.02932	2.6
73.44933	0.8
83.01410	0.7
85.02960	2.4
87.04519	2.3
89.02444	2.5
91.99400	0.7
101.02428	1.1
102.32143	0.7
113.02433	3.1
115.00387	11.8
116.00806	0.8
132.79193	0.7
133.10307	1.0
135.08234	4.1
153.09229	57.1
154.09549	2.2
174.67020	0.8
177.09245	1.6
179.07158	1.1
197.08211	100.0
198.08534	4.4
219.05046	0.8
221.08229	3.1
239.09235	2.9
269.10196	1.2
284.74646	0.7
299.11322	1.1
326.56824	0.7
359.13535	20.2
360.13889	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
55.01873	1.6
57.03462	5.4
59.01384	57.1
60.01710	0.9
61.31153	0.7
61.98830	1.9
71.01388	46.0
71.39976	0.7
72.99333	1.0
73.02938	2.5
76.53828	0.6
83.01408	1.5
84.02171	0.9
85.02955	40.5
87.00873	2.5
88.13291	0.9
88.98816	2.1
89.02451	29.6
95.01392	13.1
99.00883	1.2
101.02453	10.8
103.04038	2.0
109.02982	1.2
109.06543	0.8
113.02460	100.0
114.02782	2.2
119.03510	7.5
122.03786	0.7
131.03523	1.9
134.03760	9.4
135.04584	1.4
137.06071	4.7
143.03534	4.5
149.04967	1.2
149.06082	6.4
152.04842	2.1
161.04567	16.0
163.06186	1.6
167.07219	1.7
179.03481	1.3
179.05643	2.0
181.05048	8.8
209.21513	0.7
269.54636	0.7
311.11514	2.4
329.12445	12.2
329.16138	0.8
330.12711	0.9
440.25513	0.7
475.18600	48.0
476.18854	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96716	0.8
55.01862	2.1
57.03439	3.5
57.78715	0.8
59.01385	100.0
61.08160	0.7
61.98819	2.9
62.52858	0.7
64.48495	0.8
69.03467	1.2
71.01386	40.3
72.99321	1.4
73.02952	30.4
82.03017	1.2
83.01392	9.4
85.02473	1.5
85.02956	22.8
87.00871	2.6
87.04512	1.3
89.02453	12.6
95.01385	3.0
96.96005	4.5
97.02959	0.9
98.02491	1.1
98.22623	2.1
99.00874	2.1
99.04561	0.9
101.02449	33.1
105.94863	0.9
111.00890	1.2
113.02463	17.6
115.00390	6.3
116.77902	1.0
118.98098	2.4
119.03529	4.9
129.01996	1.2
131.03519	3.4
133.02959	1.8
135.04536	4.8
140.70709	0.7
143.03511	1.8
147.02928	1.1
149.04529	2.1
161.02458	4.3
161.04541	6.4
179.03491	5.7
179.05553	0.9
191.01982	2.6
197.11786	1.1
218.20123	0.8
282.91989	0.9
295.15518	2.4
359.17126	68.9
360.17545	5.7
385.10889	0.8
387.62177	1.2
415.23303	3.1
433.24319	1.6
453.64352	0.9
474.65381	1.4
475.21991	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	475.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17657	5.7
55.60381	6.4
55.67548	6.6
59.01382	61.2
61.98828	32.8
69.70699	19.4
71.01380	25.7
80.91689	100.0
85.02975	18.1
98.22585	8.8
116.92890	8.1
122.56915	6.9
132.02226	6.1
135.04489	10.3
142.05890	5.9
142.85020	6.2
153.05646	9.8
160.01656	9.7
161.02455	15.4
179.03593	8.9
185.29515	7.1
191.40926	7.2
208.94653	6.7
242.34312	6.2
325.03073	6.9
471.03699	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03451	2.4
59.01384	100.0
60.01727	1.0
61.98837	0.7
71.01387	26.4
71.40174	0.6
72.01723	0.6
72.99308	0.6
73.02952	13.3
83.01397	3.8
85.02959	14.1
87.00887	1.8
87.04513	4.0
89.02457	16.1
89.24212	0.6
95.01414	2.2
97.02978	0.8
97.06619	0.6
99.00893	1.8
101.02450	15.2
102.02800	0.7
108.02237	1.2
109.02966	1.5
111.00948	0.9
113.02464	21.1
115.00434	1.1
119.03521	8.3
125.02493	1.0
129.01979	1.4
131.03572	1.3
133.02988	1.6
134.03729	1.0
135.04544	1.0
143.03578	1.5
143.46265	0.6
147.03165	0.8
152.01183	0.8
153.02026	1.2
161.02585	1.3
161.04576	7.4
177.02034	1.4
179.03671	0.8
179.05681	3.8
243.12454	2.6
271.19263	1.7
275.11630	0.7
345.19269	0.6
359.21033	0.6
415.23401	13.2
416.23959	1.4
433.24402	12.5
434.25046	1.1
475.09134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.6
57.07343	0.4
59.01386	100.0
60.01726	1.3
61.01801	0.5
61.98828	2.1
69.21830	1.9
71.01389	26.2
72.99337	0.5
73.02946	2.8
83.01407	1.7
85.02962	6.3
87.00887	1.4
88.98832	0.8
89.02457	35.7
90.02797	0.8
95.01428	1.4
99.00900	0.7
101.02453	13.8
110.00125	1.2
111.04617	0.4
113.02466	13.3
114.02843	0.6
119.03516	14.6
129.01976	0.7
131.03534	2.2
133.03003	0.9
133.06740	0.4
135.04578	0.5
137.99667	0.5
143.03511	3.6
147.08195	0.5
149.04616	1.6
159.03185	0.4
161.02460	1.3
161.04579	4.8
163.31325	0.4
163.47806	0.4
165.99083	1.1
168.56929	0.4
179.03998	0.4
179.05629	11.3
179.07185	0.6
185.06108	0.9
188.98759	0.4
191.02132	0.6
203.07182	2.3
284.03259	4.1
299.05594	5.0
415.23413	5.5
433.24658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12698	0.4
64.56562	0.5
69.69122	2.2
71.38230	0.5
78.95912	8.7
94.16844	0.6
110.98544	7.5
152.99640	0.6
167.01170	6.1
181.02826	0.9
185.02193	2.5
293.24838	3.3
294.25516	0.5
307.26453	100.0
308.26767	8.0
475.28259	8.3
475.34323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93561	1.0
63.08669	1.0
66.02384	0.9
71.04589	1.0
75.23804	1.1
78.95913	7.7
85.26231	1.0
93.42467	1.0
110.98563	4.9
132.66331	0.9
133.28488	1.1
167.01192	4.1
185.02202	2.8
307.26468	100.0
308.26822	8.3
350.91016	1.3
475.28448	7.3
478.98123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.9
59.01384	33.7
59.43003	0.7
59.80138	0.7
60.01713	2.4
61.01806	1.1
61.98510	1.6
61.98834	31.1
63.81598	0.9
68.99885	0.9
69.79246	1.7
69.79638	1.6
71.01385	6.7
73.02951	2.4
73.61780	0.8
83.01404	1.8
85.02958	5.6
87.00871	0.9
89.02454	3.8
98.22588	1.5
99.00890	1.4
101.02419	3.8
102.49160	0.8
113.02462	5.8
119.03513	2.6
122.03751	27.9
133.02977	2.2
134.03729	1.0
135.04543	2.6
150.03215	3.1
161.02438	3.3
161.04567	2.1
165.05579	100.0
166.05934	3.4
179.03452	2.7
191.02051	0.9
318.02121	0.8
406.22385	0.9
415.22931	1.0
416.23355	1.0
433.23950	1.3
454.12952	1.7
476.22363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
60.01721	1.4
61.98835	100.0
67.53156	0.6
71.01393	3.7
73.02962	1.3
83.01411	0.9
85.02966	2.6
88.03359	0.5
89.02471	1.7
92.63354	0.6
97.06605	0.5
98.02502	0.8
101.02451	1.6
113.02474	1.6
126.05654	1.9
135.04497	1.5
152.03564	0.8
161.02513	0.8
161.04623	1.4
179.03551	0.7
204.03448	1.5
233.66028	0.6
258.09009	0.9
272.03949	0.7
306.09885	0.6
328.05029	0.6
416.24026	1.1
417.25098	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	476.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82126	12.9
61.98847	16.7
69.06108	100.0
89.73311	13.3
90.55397	15.0
93.74561	12.4
98.01585	14.4
98.21893	30.9
116.96504	12.1
131.00607	15.2
134.87531	14.7
242.61185	13.4
281.81128	14.5
348.86496	17.6
358.87509	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	476.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25103	0.3
57.73900	0.3
59.01384	15.1
61.98843	0.5
71.01374	1.0
71.05021	0.7
73.02953	0.3
80.05077	0.4
81.02194	2.4
82.02990	15.5
85.02972	0.3
91.94082	0.3
94.02981	0.7
95.05037	0.3
97.06606	0.6
98.21809	0.7
107.03778	15.2
108.04604	0.5
110.06127	28.0
111.06460	0.6
122.06141	4.6
123.08184	0.5
125.06090	0.5
132.76044	0.3
133.02983	0.6
135.04488	0.4
145.02858	0.3
151.07631	0.6
154.05115	100.0
155.05481	2.9
161.02451	0.8
165.09209	0.8
166.05106	30.4
167.05380	0.7
193.08701	0.4
195.13953	0.4
196.14149	0.4
204.07913	0.5
207.13806	0.5
215.10794	0.6
219.10297	1.7
220.11021	0.3
231.13927	2.8
234.12648	1.2
237.11356	1.5
237.13397	0.3
249.14923	2.9
250.15421	0.3
277.79764	0.3
288.26260	0.4
291.15945	0.4
310.14600	0.3
354.20612	1.9
394.19580	0.3
398.19727	2.6
416.20895	2.9
434.21857	1.3
458.22070	1.1
476.22913	10.0
477.23260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85037	3.9
59.01387	35.7
61.98817	12.4
63.32519	4.2
69.34219	13.2
69.34625	8.1
71.01418	4.6
75.74184	4.3
82.02962	6.6
89.28877	5.1
95.05027	8.2
97.06588	10.6
107.03765	6.0
109.06567	10.6
116.92809	4.6
123.08167	6.3
130.08736	42.2
133.02928	13.3
135.04543	11.4
150.06854	5.2
151.07661	5.0
151.11237	6.1
152.10814	12.5
161.02405	21.9
163.07655	4.5
164.08290	6.3
165.09203	8.6
166.12378	10.7
196.09850	34.8
208.09796	7.1
210.11375	100.0
221.86942	4.4
231.10265	7.9
236.16621	5.5
246.12589	9.1
247.13278	8.0
261.14932	26.2
271.13489	4.5
280.15536	8.1
356.18707	15.5
384.21814	6.9
399.24152	6.2
414.26468	19.2
443.23132	37.2
458.25345	61.1
459.25150	8.2
476.26425	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	476.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
67.01890	4.2
71.01379	0.6
71.05041	1.4
71.10283	0.5
73.02950	1.0
80.14997	0.5
81.02208	7.8
82.02982	6.7
83.05075	0.6
85.02953	0.7
92.67047	0.5
94.03004	0.9
95.05033	6.3
97.06599	4.5
107.03048	1.2
107.03777	23.1
108.04568	0.9
109.06607	1.1
122.03745	0.9
122.09792	0.7
123.08150	0.9
137.09735	0.8
139.02661	0.7
149.09729	0.9
150.06889	1.2
151.07657	9.5
152.10822	42.2
153.11180	1.2
164.10828	2.4
165.09229	2.7
176.08525	0.7
178.09947	0.6
181.12303	0.5
183.10263	0.5
191.10793	0.9
196.09801	100.0
197.10141	4.1
207.13882	1.6
208.09795	37.4
209.10139	1.1
215.10796	2.0
219.10291	6.4
220.11063	2.3
224.13026	0.9
231.13933	8.1
232.14134	1.1
233.11862	1.1
234.12587	6.0
235.13042	0.5
248.14346	0.5
249.14958	13.1
250.15208	0.8
259.03271	0.5
261.14902	1.0
396.47812	0.5
416.24628	0.8
444.27982	0.5
451.57709	0.5
458.25647	4.3
476.26584	30.1
477.27078	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	476.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.4
61.54714	2.8
61.98830	11.9
69.96865	3.8
69.97202	5.6
85.02943	3.8
95.05014	3.6
97.06615	6.1
99.92584	3.3
109.06598	6.7
115.92104	4.8
116.92880	26.0
122.49638	2.8
123.08174	7.8
128.10789	2.7
130.08752	31.5
149.09807	3.2
150.06877	3.4
152.10806	5.4
153.42224	2.7
164.08394	2.8
164.10779	4.0
165.09215	10.5
166.12405	9.5
178.12341	3.8
180.14021	6.0
189.72377	2.8
190.74945	2.9
196.09828	10.8
207.13939	3.6
207.53891	2.8
210.11372	100.0
211.11734	4.0
231.10123	3.7
232.11150	3.4
240.00275	3.0
246.12582	11.6
248.14168	4.3
261.15012	21.6
280.15604	4.0
290.13931	3.0
370.20102	9.7
384.21841	5.1
385.22623	4.4
399.24286	6.4
414.26556	13.4
438.72092	2.8
443.23209	32.5
458.25485	57.5
459.25891	5.1
476.26538	27.1
477.27036	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	476.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
67.01893	3.4
69.57354	1.7
71.05019	1.9
73.02941	0.6
79.09998	0.4
81.02205	4.8
81.88811	0.4
82.02990	13.7
83.05032	0.7
84.06844	0.4
84.08203	0.6
85.02966	0.5
94.03007	0.5
95.05022	4.6
97.06590	4.2
107.03781	20.9
109.06588	0.9
115.54008	0.4
122.03758	0.9
127.07690	0.6
139.02789	0.6
149.09784	1.3
151.07669	7.8
152.10825	32.7
153.11142	1.2
164.10829	4.6
165.09216	2.3
176.08411	0.6
177.09212	0.7
187.07684	0.5
191.10736	0.9
196.09801	100.0
197.10170	4.3
202.10039	0.6
207.13911	1.0
208.09805	34.8
209.10130	1.8
215.10806	1.1
219.10286	7.2
220.10965	1.8
224.12930	1.3
231.13893	6.9
232.14346	0.6
234.12625	5.1
249.14966	11.4
250.15211	0.8
261.14868	0.6
456.46527	0.5
458.25446	5.4
459.25784	0.6
476.26563	26.4
477.26822	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.75786	0.3
59.01384	0.8
69.69184	0.6
69.69509	0.2
70.36636	0.2
78.61272	0.2
78.95908	32.2
96.96960	0.7
98.22720	0.3
103.01488	0.3
122.00168	1.1
140.01205	6.4
152.99608	3.4
155.16652	0.3
171.00641	1.7
173.50600	0.3
196.03815	10.5
197.04262	0.3
214.04858	2.3
261.22186	0.5
279.23303	100.0
280.23648	7.9
476.27841	28.7
477.28122	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06424	0.2
53.97689	0.2
59.01369	0.4
61.59642	0.2
70.51942	0.4
78.95910	5.5
79.18037	0.2
122.00165	0.2
140.01207	2.1
152.99599	0.5
156.93567	0.2
166.83051	0.2
196.03755	1.1
202.74905	0.2
212.81010	0.2
214.04878	3.0
261.22272	0.3
274.96759	0.2
279.23306	100.0
280.23651	8.3
350.59689	0.2
450.58887	0.2
476.27859	7.8
477.28162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54286	0.3
64.76784	0.3
68.29537	0.3
69.32041	1.4
78.95911	100.0
96.96970	8.8
140.01212	0.5
151.56441	0.3
152.99599	16.5
165.45567	0.3
171.00655	18.0
279.23318	2.8
402.24097	1.4
476.27847	52.5
477.21915	0.3
477.28128	5.7
490.80753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01374	2.5
59.28791	0.8
69.05075	1.3
69.05485	3.7
71.01386	3.0
73.02956	1.0
78.11538	0.6
81.03455	1.3
85.03007	0.9
95.11190	0.6
101.02493	1.3
108.02177	38.6
109.02963	40.2
110.03362	1.2
112.61939	0.7
113.02470	1.2
115.00354	1.2
117.86400	0.6
121.02962	1.2
123.00900	0.7
123.04522	1.6
133.02969	19.6
135.04524	9.8
137.09782	0.8
151.04080	0.8
152.01160	55.7
153.01952	40.8
154.02307	1.0
155.10788	2.6
161.02454	54.6
162.02817	1.9
163.03995	1.3
165.01973	0.9
165.75626	0.9
177.05682	1.2
179.03583	5.6
199.09782	2.3
241.10750	0.9
315.07239	59.2
316.07623	3.2
319.21124	0.8
323.07788	1.5
395.33722	0.8
433.11383	3.2
459.09460	1.2
477.10400	100.0
478.10632	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	477.104
Annotation	Nepetin 4'-glucoside
Peak:m/z	Relative Intensity
50.44817	0.5
57.03447	0.6
59.01385	20.1
60.01711	2.0
61.01804	0.9
61.98837	7.7
63.02415	0.6
66.91814	0.6
69.59409	2.3
71.01392	5.5
71.85756	0.6
73.02951	2.6
82.69184	0.5
83.01386	1.5
85.02969	3.4
87.00871	0.8
88.98810	2.1
89.02451	2.1
95.01392	1.3
98.05363	0.5
99.00883	1.0
101.02419	3.1
104.03503	0.6
107.01365	0.9
109.02926	0.8
111.00868	1.0
113.02469	3.0
119.03487	0.7
121.02966	5.7
133.01413	0.7
133.02957	2.0
135.04507	3.0
141.01906	1.5
143.34222	0.6
149.06102	1.1
151.00372	3.1
153.01871	0.8
153.05609	4.0
155.10840	0.8
159.02986	0.5
161.02467	4.3
161.04517	1.0
165.01596	0.7
171.04492	0.6
175.03931	0.8
178.99916	0.7
179.03505	2.2
197.04564	12.8
197.11871	1.6
199.03963	4.6
199.09692	1.2
201.01918	2.0
203.03520	1.2
215.03493	5.6
225.01950	1.0
226.02673	0.6
227.03516	5.5
227.11961	0.7
229.01189	0.7
229.17853	0.6
242.02205	8.8
243.02986	44.1
244.03337	2.0
255.02904	1.2
257.04550	13.1
270.01721	13.4
271.02493	45.0
272.02863	2.7
281.06766	0.7
285.04074	25.7
286.04816	7.6
287.05304	0.6
299.02020	10.0
300.02731	6.6
314.04337	47.4
315.04742	9.3
357.06131	0.9
361.18628	1.9
416.23505	1.9
417.24048	1.1
433.21036	0.8
477.10400	100.0
478.10675	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44817	0.5
57.03447	0.6
59.01385	20.1
60.01711	2.0
61.01804	0.9
61.98837	7.7
63.02415	0.6
66.91814	0.6
69.59409	2.3
71.01392	5.5
71.85756	0.6
73.02951	2.6
82.69184	0.5
83.01386	1.5
85.02969	3.4
87.00871	0.8
88.98810	2.1
89.02451	2.1
95.01392	1.3
98.05363	0.5
99.00883	1.0
101.02419	3.1
104.03503	0.6
107.01365	0.9
109.02926	0.8
111.00868	1.0
113.02469	3.0
119.03487	0.7
121.02966	5.7
133.01413	0.7
133.02957	2.0
135.04507	3.0
141.01906	1.5
143.34222	0.6
149.06102	1.1
151.00372	3.1
153.01871	0.8
153.05609	4.0
155.10840	0.8
159.02986	0.5
161.02467	4.3
161.04517	1.0
165.01596	0.7
171.04492	0.6
175.03931	0.8
178.99916	0.7
179.03505	2.2
197.04564	12.8
197.11871	1.6
199.03963	4.6
199.09692	1.2
201.01918	2.0
203.03520	1.2
215.03493	5.6
225.01950	1.0
226.02673	0.6
227.03516	5.5
227.11961	0.7
229.01189	0.7
229.17853	0.6
242.02205	8.8
243.02986	44.1
244.03337	2.0
255.02904	1.2
257.04550	13.1
270.01721	13.4
271.02493	45.0
272.02863	2.7
281.06766	0.7
285.04074	25.7
286.04816	7.6
287.05304	0.6
299.02020	10.0
300.02731	6.6
314.04337	47.4
315.04742	9.3
357.06131	0.9
361.18628	1.9
416.23505	1.9
417.24048	1.1
433.21036	0.8
477.10400	100.0
478.10675	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	477.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72112	0.6
55.29427	0.6
59.01383	13.9
71.01385	7.2
71.02923	0.7
71.05050	0.7
79.77426	0.7
85.02950	1.7
89.02448	5.9
101.02484	3.8
108.02185	7.5
109.02956	43.6
113.02440	3.3
115.00358	0.9
115.04019	3.8
119.03508	1.9
123.04548	0.8
149.02428	0.8
151.00360	0.7
151.04074	1.6
152.01166	9.6
153.01945	100.0
154.02290	2.7
167.03525	2.9
177.01927	0.8
195.02992	21.4
244.24300	0.8
255.05130	9.0
315.07230	88.8
316.07556	4.6
345.18579	0.8
451.10468	0.7
477.12561	26.7
478.12833	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	477.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
61.98840	2.9
71.01382	3.5
78.95898	0.8
79.95741	3.0
80.91680	0.5
85.02968	3.2
89.02480	0.6
94.98105	0.7
96.96020	100.0
101.02448	0.8
107.88474	0.5
109.02956	6.8
113.02495	1.1
115.00356	2.1
117.03468	0.6
119.05035	0.9
121.02952	1.1
122.96250	0.4
131.95464	0.4
133.01436	2.9
133.02939	2.7
133.26515	0.4
135.00919	1.8
135.04541	1.1
145.03020	3.0
153.01956	19.3
161.02452	5.6
179.03516	0.8
182.84225	0.5
197.04568	2.1
199.13440	1.0
255.16295	0.5
315.07346	1.6
329.07376	0.5
361.18805	4.7
397.13467	1.2
406.69064	0.6
417.12683	0.9
477.10098	2.3
478.21024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36058	0.6
59.01382	7.9
61.75238	0.6
69.06894	2.6
69.07303	2.4
71.01384	12.4
73.02940	2.0
84.59953	0.8
85.02968	1.7
89.02440	5.7
89.81367	0.8
101.02442	2.9
111.04582	0.7
113.02453	3.1
115.00381	10.4
119.03522	1.7
133.01418	0.9
135.08197	1.6
137.09727	20.3
138.10094	0.9
155.10791	91.5
156.11140	4.0
179.05626	1.8
179.10764	1.5
181.08681	2.7
199.09767	100.0
200.10037	4.4
223.09798	2.2
241.10905	1.4
248.19157	0.8
301.13107	1.1
327.73529	0.7
341.77341	1.0
361.15054	17.3
362.15219	1.4
389.79349	0.9
390.51761	0.8
458.74796	0.9
477.15771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33490	2.4
59.01387	12.9
60.99308	13.4
69.43348	7.9
71.01382	9.4
85.02954	8.0
88.98814	100.0
89.02475	3.9
95.15069	2.2
97.29879	2.2
98.21928	2.7
101.02459	2.5
106.01078	2.1
113.02464	3.5
115.00391	8.9
121.02963	7.1
137.09673	3.9
153.05626	4.1
155.10812	19.8
155.95116	2.1
197.04568	10.5
197.06183	2.5
197.08260	4.5
199.09813	21.0
279.12326	3.1
291.98071	2.3
361.15012	4.1
375.51654	2.3
377.47028	2.5
387.16501	6.4
419.42337	2.2
441.08725	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
67.18154	0.9
69.37059	4.8
71.01391	2.6
71.83956	0.8
85.06599	5.1
89.02476	2.1
98.21949	1.3
101.02464	0.9
104.16187	0.8
105.50125	0.9
123.04552	3.4
129.05594	100.0
130.05923	3.5
135.04562	3.2
144.57764	0.9
153.05609	4.7
155.41936	1.0
197.04422	0.9
232.99396	1.0
266.21149	1.0
274.58295	1.0
283.58759	1.0
315.10907	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	477.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84872	27.6
78.95933	26.2
122.83938	15.6
148.67677	18.8
161.02499	22.7
197.02246	23.1
279.23386	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	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23164	9.2
69.23449	30.5
78.95909	21.5
79.78242	5.6
92.36340	4.9
104.20943	4.9
171.00636	5.6
185.00098	4.8
208.88278	4.8
279.23312	100.0
280.23615	10.9
363.85379	6.1
435.20160	5.2
443.26035	5.9
478.29245	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	478.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82411	0.2
59.01377	1.9
61.98835	100.0
71.01398	0.8
71.40859	0.3
77.59138	0.3
85.02974	0.6
87.52897	0.2
89.02461	0.8
92.92399	0.2
94.53565	0.2
101.02450	0.4
113.02502	0.6
133.02966	0.3
135.04555	1.2
149.04585	0.5
161.02481	0.8
164.29500	0.3
177.05573	0.3
179.03537	1.0
207.01276	0.6
241.90115	0.3
268.03256	0.3
272.08957	0.3
292.55875	0.3
327.45511	0.2
377.11923	0.3
412.97461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
59.85670	0.5
61.98828	1.5
69.31885	2.6
71.01385	24.1
71.05013	2.1
73.02949	1.4
74.02480	1.1
81.02194	0.8
82.02989	53.6
83.03309	1.0
83.05036	1.2
85.02972	1.5
85.06593	0.7
94.02991	22.0
95.05021	5.6
96.96009	1.9
97.06595	5.9
102.42610	0.8
107.03779	2.2
109.06612	1.3
110.06125	8.5
113.02435	1.0
115.00382	40.4
115.92109	0.7
122.03747	1.2
122.06093	0.7
123.04553	1.4
123.08176	1.1
127.07629	0.7
133.02995	0.9
136.04016	1.7
139.11266	1.0
149.09697	0.9
150.06837	1.4
151.07672	10.2
153.05582	1.6
154.05107	56.7
155.05450	1.2
161.02426	3.1
162.02721	1.4
165.09172	3.9
166.05093	16.0
169.08586	0.8
176.08475	0.8
179.03535	0.9
182.08226	1.1
193.08716	0.9
197.04546	0.8
198.04050	2.1
198.12212	0.9
201.11430	0.9
207.13890	1.6
211.48302	0.6
215.10693	1.3
219.10269	3.8
220.11020	2.5
231.13898	7.5
234.12573	5.1
234.27223	0.7
249.14978	9.0
256.19672	0.6
261.14996	2.0
299.01880	0.8
315.14572	0.6
324.07999	0.7
336.40982	0.7
344.18726	1.1
434.21814	2.7
460.19864	0.9
478.20819	100.0
479.08557	1.7
479.21011	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	478.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98826	2.8
69.23811	14.9
90.75647	2.9
95.01427	2.8
109.02938	5.6
111.00926	3.7
167.52171	2.5
171.37601	3.1
249.15073	5.5
269.28900	2.8
287.12619	2.7
291.16010	3.1
299.16589	5.3
314.11682	3.2
343.15430	7.7
346.14188	5.3
357.16714	6.0
363.14413	11.0
375.18146	33.2
376.18396	4.4
417.19067	6.3
446.14764	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01389	3.3
60.93181	0.4
61.98837	100.0
65.93861	0.3
69.63206	1.5
71.01397	1.3
79.73956	0.4
85.02959	3.9
93.03480	1.7
101.02515	0.7
111.00948	0.7
113.02493	0.6
123.04552	0.8
129.02003	1.1
137.02460	2.3
161.02490	0.5
167.03578	1.5
179.03595	0.6
191.01991	0.7
196.02672	0.6
206.73170	0.5
275.09344	0.8
297.06256	0.5
345.20432	0.4
478.23770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.245
Annotation	Anthriscifolcine C
Peak:m/z	Relative Intensity
51.84871	1.9
59.01132	1.7
59.01388	23.5
61.98833	29.5
67.77392	1.5
69.36052	5.9
71.01392	3.2
81.02236	1.7
81.96986	1.5
82.02985	15.4
107.03778	18.2
110.06119	25.7
116.92880	4.9
117.00805	1.8
117.92870	3.7
122.06133	5.2
141.09186	1.8
147.41147	1.8
154.05110	100.0
155.05472	1.7
161.02438	2.9
166.05110	26.1
251.16447	3.3
271.47705	1.7
374.71735	1.8
382.39331	2.1
400.21194	4.7
418.22406	5.7
419.68503	2.6
478.24536	50.3
479.24908	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	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02829	0.6
61.77338	0.8
61.98831	1.6
69.11302	1.8
69.11711	2.7
78.95914	23.9
90.49558	0.6
96.96931	0.9
122.00217	1.0
136.23116	0.6
140.01213	5.5
140.66701	0.7
152.99603	1.9
158.18054	0.6
160.37115	0.7
171.00703	1.2
178.39709	0.6
196.03809	10.5
214.04860	2.5
281.24881	100.0
282.25186	7.4
434.49649	0.7
478.29453	27.7
479.29599	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	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56587	0.7
65.40754	0.5
66.76611	0.6
78.95914	4.2
89.16769	0.5
140.01210	1.5
152.26315	0.6
214.04869	2.1
277.21649	0.7
278.22021	1.3
281.24884	100.0
282.25214	7.0
353.84070	0.6
409.01761	0.5
422.28110	0.6
478.29465	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	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03452	13.6
58.02543	0.6
59.01380	7.3
62.64557	0.5
65.86194	0.5
69.38873	2.3
71.01380	2.4
72.99318	0.9
73.02943	0.8
73.11480	0.7
78.95916	3.4
83.01395	4.7
84.02158	0.9
85.02956	100.0
86.03291	1.8
87.00900	1.4
91.01906	1.9
93.03472	9.1
96.96020	2.9
96.96958	6.0
101.02451	1.1
103.00385	1.0
108.02179	2.2
111.00890	10.1
113.02479	0.9
115.00398	0.7
115.92089	0.6
121.02911	0.6
121.21616	0.6
123.04536	7.7
129.01962	22.0
133.02997	0.7
135.04559	3.1
137.02458	10.8
147.03017	15.7
147.32607	0.7
149.06189	0.8
151.04005	0.7
152.01233	0.7
161.02469	1.4
161.05907	0.5
167.03510	16.1
173.00917	6.5
177.05592	2.1
177.09225	1.0
179.03441	2.7
191.01999	15.1
205.05104	3.6
205.08846	1.1
209.03041	3.9
235.06142	2.5
251.78708	0.6
267.05130	1.6
275.09106	1.1
297.06146	3.3
329.05179	1.7
341.05099	2.9
359.06232	10.2
360.06467	0.9
377.11713	2.2
398.12378	0.6
402.02347	0.5
463.06897	0.6
479.14542	2.2
479.25089	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	479.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
58.62805	1.6
59.01381	11.6
60.48525	1.5
61.98837	3.2
63.91867	1.6
66.05853	1.3
71.01380	5.5
76.40414	1.6
78.95912	2.9
85.02954	5.4
87.00893	2.2
89.02464	2.3
101.02446	2.0
113.02391	1.6
126.05621	6.3
128.03557	2.0
133.02998	2.5
134.03743	1.9
135.04488	4.5
139.71986	1.6
147.03188	1.9
147.04469	2.0
149.06085	6.2
159.04460	2.9
161.02435	4.0
161.06085	4.4
163.07716	2.5
171.08083	2.3
172.05290	4.0
173.06125	8.6
174.06863	1.9
175.04033	3.1
186.06885	2.1
187.04034	3.7
187.07657	12.4
187.11255	2.5
189.05457	3.2
201.05609	6.9
201.09340	2.0
202.06398	6.5
203.10828	3.0
204.03391	7.4
213.09233	7.5
215.07161	21.0
216.07927	18.0
229.08751	3.4
230.09468	45.2
231.10262	100.0
232.10628	2.8
247.09897	1.6
275.09283	9.7
435.16571	56.0
436.17041	4.9
478.64603	1.7
479.15594	2.9
479.24518	3.4
480.30710	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03456	6.5
59.01383	8.9
59.78281	0.7
61.62889	0.6
61.98825	1.6
64.06420	0.6
67.01897	1.2
70.08620	2.1
71.01398	3.5
73.02958	1.2
79.01911	1.5
83.01376	3.2
85.02957	37.8
89.02460	1.2
93.03466	5.0
97.02960	6.7
101.02451	1.7
104.33749	0.6
107.04996	1.1
108.02216	1.3
109.02969	1.3
111.00900	4.5
113.02477	1.2
121.02931	1.3
121.06615	0.9
122.03715	1.8
123.04557	5.0
125.02445	2.4
129.01955	7.9
129.66096	0.7
133.02989	0.8
133.06593	1.7
134.03757	10.2
135.03769	0.6
135.04562	6.4
137.02470	5.8
141.01921	2.0
147.02998	6.9
147.04364	1.3
148.05296	1.7
149.06085	49.8
150.06425	1.7
151.04005	1.3
153.05560	1.9
157.06578	1.6
159.04478	1.5
160.05299	1.3
161.02495	3.2
161.06073	2.0
162.03169	2.0
162.26715	0.6
163.03917	0.6
167.03491	5.1
172.05331	1.4
173.00974	3.2
173.06104	3.3
174.06790	0.7
175.04031	4.4
175.07622	2.1
176.04782	2.1
177.05583	33.0
178.05859	0.7
179.03487	2.6
185.06064	4.6
185.09740	1.1
186.06818	2.2
187.04037	2.7
187.07703	2.3
188.04774	1.4
189.05591	1.5
191.02007	4.6
197.06055	1.1
198.06744	1.2
199.07687	2.9
200.04697	0.7
200.08571	1.0
201.05560	4.0
201.09244	1.6
202.06342	1.9
203.07179	3.7
205.05087	1.7
209.03021	1.7
211.07698	2.1
212.04822	1.0
212.08458	0.7
213.05566	4.2
213.09259	2.8
214.06300	1.3
215.07271	0.7
216.07880	1.9
217.08670	1.4
227.07108	4.0
228.07939	3.0
229.04965	1.9
229.08710	2.5
235.06090	0.8
239.07195	1.1
241.05109	1.0
242.05785	1.4
243.06686	0.8
244.03825	4.9
244.07451	1.1
245.04221	0.8
245.08275	5.0
246.08748	0.7
255.06601	0.8
256.07376	2.5
257.08240	15.4
258.08731	0.8
259.06125	31.9
260.06613	2.3
274.08484	100.0
275.09247	74.5
276.09647	5.1
279.12360	0.8
287.09238	1.3
297.06171	1.4
301.10852	1.0
311.03931	0.6
316.09644	1.3
317.10223	5.4
324.43539	0.7
359.06259	3.9
385.14731	0.7
419.13583	3.4
439.24957	0.6
449.14453	2.0
461.14310	3.1
479.09235	0.9
479.15665	5.7
479.21506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
58.62805	1.6
59.01381	11.6
60.48525	1.5
61.98837	3.2
63.91867	1.6
66.05853	1.3
71.01380	5.5
76.40414	1.6
78.95912	2.9
85.02954	5.4
87.00893	2.2
89.02464	2.3
101.02446	2.0
113.02391	1.6
126.05621	6.3
128.03557	2.0
133.02998	2.5
134.03743	1.9
135.04488	4.5
139.71986	1.6
147.03188	1.9
147.04469	2.0
149.06085	6.2
159.04460	2.9
161.02435	4.0
161.06085	4.4
163.07716	2.5
171.08083	2.3
172.05290	4.0
173.06125	8.6
174.06863	1.9
175.04033	3.1
186.06885	2.1
187.04034	3.7
187.07657	12.4
187.11255	2.5
189.05457	3.2
201.05609	6.9
201.09340	2.0
202.06398	6.5
203.10828	3.0
204.03391	7.4
213.09233	7.5
215.07161	21.0
216.07927	18.0
229.08751	3.4
230.09468	45.2
231.10262	100.0
232.10628	2.8
247.09897	1.6
275.09283	9.7
435.16571	56.0
436.17041	4.9
478.64603	1.7
479.15594	2.9
479.24518	3.4
480.30710	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25079	0.8
59.00138	0.9
59.01367	3.0
65.00332	1.1
68.99837	1.0
71.01386	19.8
78.95876	0.9
79.01906	0.9
81.03461	1.2
83.01393	2.4
93.03461	1.5
95.01395	1.1
97.02964	1.9
99.00877	1.0
109.02946	3.0
110.00097	1.6
111.00887	3.8
111.04536	1.2
112.98771	1.3
115.00381	11.6
121.02931	4.9
122.00070	2.0
122.52400	0.9
123.00902	10.4
125.02486	1.6
125.99572	2.2
127.00379	4.0
136.98831	4.2
137.02458	21.3
137.99591	2.8
138.03265	5.5
139.00383	5.0
141.01941	2.1
153.01949	3.3
153.05531	4.6
153.99098	1.4
154.02663	1.5
155.03436	5.2
166.99886	5.5
176.90161	0.8
181.01404	7.7
182.02208	14.0
183.03026	1.9
183.10274	4.5
196.03751	6.3
197.04605	10.8
262.79663	0.8
345.97052	1.0
348.12195	2.9
363.14514	100.0
364.14645	7.4
467.55786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.8
61.98834	4.3
69.08743	1.5
69.09148	3.9
70.61454	0.6
71.01381	7.1
71.05028	1.7
77.74425	0.7
81.46341	0.7
83.01400	1.1
85.02947	1.7
88.41452	0.7
89.02447	1.1
96.96007	1.8
97.06594	2.4
109.83774	0.7
113.02423	1.3
115.00394	5.5
123.08183	1.0
129.60172	0.7
135.04509	1.0
137.09647	1.1
139.11299	29.6
140.11604	1.1
140.33865	0.7
157.12308	1.3
162.76294	0.7
183.10387	1.0
201.11340	100.0
202.11688	4.1
215.12941	1.0
225.11395	2.2
235.33276	0.7
243.12338	1.6
249.14641	0.9
272.03027	0.8
299.02142	1.0
363.16605	9.5
479.08389	1.8
479.30490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03445	1.4
59.01084	1.2
59.01385	23.8
71.01389	23.3
71.37815	0.8
72.99303	0.8
73.02959	6.3
83.01396	6.0
83.89600	0.5
85.02959	9.5
86.00119	0.9
87.00886	1.1
89.02460	7.2
91.92558	0.5
95.01420	0.9
99.00891	2.2
101.02451	20.3
105.56376	0.7
113.02461	6.2
115.00381	8.6
116.92827	0.8
119.03514	3.3
123.04493	0.6
131.03601	0.6
133.01396	0.9
133.03027	0.6
135.04546	1.2
136.04012	0.6
156.48642	0.6
159.03009	0.5
161.04541	0.8
179.03482	0.9
183.10268	1.5
191.05684	1.0
198.29564	0.6
210.03232	0.5
211.86852	0.5
263.32822	0.6
325.42337	0.6
333.15622	1.8
345.15573	23.0
346.16043	1.5
363.16632	100.0
364.16953	5.8
413.06897	0.6
475.08182	0.6
479.17197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03445	1.4
59.01383	12.4
59.30072	0.6
66.31239	0.6
69.03446	3.5
71.01389	2.7
73.02949	5.1
81.03477	4.0
83.01362	1.0
85.02973	2.8
87.00882	2.2
93.03491	1.0
95.05019	0.7
97.02982	4.1
98.03752	2.2
99.04512	4.9
101.02460	2.2
107.05047	4.9
108.02171	4.0
109.02945	5.5
111.04545	1.3
113.02436	1.4
117.07104	1.4
123.04526	1.5
124.01656	2.4
125.02451	4.8
126.03255	4.1
126.10386	0.6
133.06607	0.9
135.04533	3.9
144.05821	0.8
145.06601	10.2
147.08185	6.0
150.03214	1.6
150.32146	0.5
157.06596	1.5
159.08218	0.7
161.04855	0.8
161.06113	5.0
171.08138	0.6
173.06081	3.4
174.99411	0.5
177.12024	0.6
179.40480	0.6
183.08157	4.6
185.06091	21.7
186.06847	10.6
187.07538	1.1
187.11296	1.8
189.05484	0.9
197.09744	10.9
199.07712	0.7
199.11313	2.6
200.08397	0.6
201.09288	0.8
210.06931	4.7
215.10751	9.5
225.09218	29.9
226.09550	1.9
231.10423	0.6
242.05843	0.9
243.10266	40.1
244.10620	2.5
247.13402	5.0
257.11853	2.4
267.09937	0.8
274.12204	0.7
275.12912	100.0
276.13232	7.0
279.78149	0.7
281.11755	0.6
299.12894	2.7
364.69086	0.6
387.45020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39267	1.0
55.01886	1.2
57.03440	3.0
59.01382	47.1
61.98830	3.6
66.89312	1.2
68.49426	1.0
69.03468	2.0
69.13236	4.8
69.13645	2.2
71.01386	15.2
71.05018	1.3
72.99300	1.7
73.02945	3.2
78.95913	6.6
79.55324	1.0
81.03459	1.2
83.01386	1.3
83.05022	1.0
83.51202	0.9
83.66477	1.0
85.02956	20.9
86.02472	1.8
87.00901	3.0
89.02454	8.0
95.01376	2.4
95.05045	1.1
96.96958	2.9
97.02941	2.7
99.00867	1.3
99.04537	1.2
101.02449	14.5
108.02198	1.8
109.02953	3.2
111.04546	1.1
113.02464	14.1
119.03528	6.5
121.02946	1.8
124.01656	1.4
125.02465	1.6
126.05614	2.4
128.03566	4.7
131.03484	1.2
133.06581	2.1
135.04535	2.5
143.03493	2.0
144.01845	1.1
145.06573	2.6
147.03032	1.9
147.08209	2.0
155.10789	100.0
156.11104	3.0
161.02513	1.4
161.04558	6.3
161.06097	2.7
167.03546	1.1
169.12367	2.8
170.04617	2.1
171.07848	3.1
172.04031	1.0
176.11665	0.9
179.05646	2.5
185.06113	6.2
186.06821	2.4
190.28174	1.0
191.01962	2.9
193.08701	4.5
197.09850	1.7
197.11810	4.0
199.11255	1.0
203.05647	1.6
204.03322	2.2
205.08723	1.1
215.10793	3.1
217.12384	1.3
219.10405	1.1
225.09200	8.8
227.12889	1.3
231.10193	1.6
243.10327	8.5
247.13434	1.7
255.55658	1.0
257.11865	1.4
263.12885	5.9
274.11905	1.0
275.12912	25.5
299.12964	1.9
314.60483	1.3
318.41431	1.2
419.16772	1.8
423.42932	1.1
479.20236	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	479.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91177	1.8
59.01379	5.3
63.10466	1.6
68.66020	1.5
70.24633	1.5
71.01397	1.7
83.05009	2.1
97.06595	1.9
106.62132	1.8
111.08174	3.4
116.49744	1.7
135.08195	1.7
137.09712	3.2
150.43362	1.6
189.89723	1.7
211.13478	4.5
213.15128	2.7
239.16614	4.1
241.18272	2.0
247.13480	1.7
265.18121	2.4
267.53052	1.6
275.16534	4.1
315.27100	3.9
325.25519	6.5
341.24881	4.9
343.26465	7.7
348.61545	1.9
351.23425	2.6
359.25906	7.5
361.27499	4.5
369.24307	12.4
387.25430	39.3
388.25763	2.9
405.26495	100.0
406.26852	8.1
479.30194	59.7
480.30670	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61942	4.2
50.69025	4.1
54.54954	3.4
57.03445	7.8
59.01375	20.8
60.89897	3.4
61.98832	25.8
69.07707	9.9
69.08111	13.4
69.75957	3.8
70.77571	3.4
71.01379	7.2
74.02489	3.9
74.85910	3.5
82.02999	4.9
83.05064	5.3
85.02968	33.2
85.59319	3.1
89.00677	73.1
96.04570	11.5
96.95980	3.8
98.06100	7.7
101.02434	6.7
103.09171	3.7
107.05046	4.0
122.05701	3.6
122.27137	4.1
125.02399	3.6
126.05631	72.6
129.01991	4.1
133.06609	6.1
135.04472	4.0
135.08180	4.4
145.06587	14.9
147.03004	4.6
152.99571	3.7
159.08290	3.9
161.04514	5.7
161.06055	7.8
165.05693	4.9
170.04613	11.8
171.08179	23.2
179.03508	4.0
180.06677	7.9
183.98210	3.5
187.07687	43.7
191.02042	6.0
203.10811	16.1
204.03395	100.0
205.12325	20.6
214.03778	3.5
219.10207	17.8
225.09254	10.6
233.11867	24.7
246.00720	4.6
275.12836	10.2
291.10565	4.5
309.08231	8.0
309.11633	9.6
400.17551	8.6
480.17514	24.5
480.36481	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	480.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23431	1.9
59.01383	40.9
61.98835	100.0
69.22687	2.0
69.48681	9.3
71.01394	6.6
73.02961	3.3
85.02954	7.3
89.02438	2.4
96.96013	7.7
101.02443	3.3
113.02438	4.2
135.04510	2.8
153.05588	3.1
161.02525	3.3
162.71594	2.0
180.32916	2.0
191.05598	2.1
201.11342	2.5
202.11667	4.0
211.06209	2.1
214.20213	2.3
303.82587	1.9
307.93225	2.1
342.08960	2.7
402.74380	1.9
479.65598	2.4
480.15350	2.4
480.21716	5.8
481.20889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98846	39.5
67.21872	27.2
71.41025	23.3
112.98511	29.4
126.67448	25.2
127.25805	24.8
133.26837	24.4
148.85181	26.4
153.78255	24.6
200.01216	25.3
220.09691	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	480.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35450	6.5
59.01380	77.4
61.98819	17.6
68.99852	6.9
71.01379	16.7
71.38673	6.9
71.39063	8.2
73.34082	6.7
83.01400	8.1
83.05031	10.6
83.86787	6.2
85.02952	67.8
90.67144	6.0
93.03461	15.6
97.02966	9.1
109.02965	8.1
111.04518	40.0
115.00375	6.7
133.02991	8.4
135.04541	20.9
136.53178	6.8
150.89978	6.7
161.02496	47.0
167.15439	6.6
179.03531	18.5
184.71007	6.5
191.01961	10.0
233.11792	13.3
249.11237	10.7
251.12845	62.3
282.10034	6.2
293.14053	100.0
301.14725	9.7
308.47861	7.0
327.15967	21.3
337.23569	7.9
345.17038	45.2
361.16336	12.6
387.18121	20.2
450.27237	7.3
481.17093	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89149	0.5
55.86856	0.5
59.01383	1.1
61.98835	100.0
65.72391	0.5
69.32095	1.2
69.32479	1.0
71.01408	0.5
85.02972	0.6
93.09061	0.5
98.21881	0.9
122.09286	0.5
161.02483	0.6
251.64211	0.5
252.04837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.7
57.03433	0.7
58.02979	0.5
59.01394	2.4
59.51728	0.5
61.98841	3.1
70.03004	2.0
71.01385	2.6
73.02979	0.6
73.85448	0.5
75.00894	1.2
77.06703	0.6
81.03481	1.0
83.01408	2.1
85.02969	1.9
89.02415	0.7
93.03487	0.8
94.98109	0.9
96.99331	1.0
98.02481	0.6
100.85525	0.6
101.02473	1.6
108.02190	1.3
109.02979	0.6
110.02505	2.1
111.27381	0.5
113.02522	0.7
114.01987	8.1
115.00412	0.6
122.03784	0.6
123.04568	1.2
125.02473	0.7
127.00378	0.7
127.03968	0.8
129.01947	1.3
132.04561	8.8
135.04541	1.6
137.02538	0.8
144.04570	2.2
146.06137	25.3
147.06458	0.7
149.06119	2.5
152.01154	1.2
161.02473	1.6
162.05598	1.2
167.03534	2.5
171.05693	1.7
172.04045	2.2
172.07701	0.7
174.05612	1.0
177.05582	9.2
178.05923	0.7
179.03522	1.8
184.04108	0.6
189.06715	100.0
190.07062	3.7
199.08827	0.9
200.07184	5.0
205.05188	0.6
215.08328	3.4
225.06720	1.5
243.07764	12.4
243.10223	0.7
244.08109	0.6
259.10022	0.7
275.09207	0.8
276.09525	0.7
277.10733	1.1
287.06778	19.2
288.06952	1.1
319.09375	14.3
351.12036	6.3
381.11536	1.1
449.12036	8.1
450.12366	1.0
481.14539	36.1
482.14844	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	481.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95521	0.4
56.01896	0.3
59.01376	1.7
63.15840	0.3
71.01408	0.9
71.23521	0.5
72.99301	1.8
73.02953	0.5
75.00879	100.0
76.01207	0.6
83.01392	1.2
85.02969	1.7
93.03458	0.4
95.03381	0.4
101.02483	0.8
108.02189	0.7
113.02449	0.5
115.16841	0.3
119.03515	0.4
122.03764	1.3
123.04559	0.6
125.20336	0.3
127.00366	0.6
130.36368	0.4
135.04593	0.5
149.06099	1.6
150.06911	1.1
151.07701	1.2
152.01161	0.5
165.05615	0.9
165.52890	0.4
167.03516	1.2
173.00887	0.3
177.05563	3.3
179.03387	0.5
179.05710	0.5
251.84468	0.4
277.10907	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01706	1.1
63.03346	0.6
71.01390	4.9
73.02956	2.0
83.01414	0.6
85.02958	3.2
94.33304	0.6
98.22678	2.3
101.02458	3.0
113.02481	2.4
122.03777	2.3
123.04520	1.3
127.04060	1.3
134.03784	1.1
135.04526	1.4
147.04518	4.3
149.06082	4.8
151.09166	0.6
161.04584	6.9
165.05643	3.9
175.04315	0.7
176.04871	2.9
177.05615	2.7
188.84366	0.8
197.09703	0.9
201.05537	1.0
213.09357	1.1
215.10887	1.1
219.06746	1.3
226.06567	1.0
229.08980	0.7
231.10368	0.8
233.11940	0.7
241.08826	2.1
244.07356	0.8
259.09787	17.7
260.10242	1.4
277.10883	2.6
481.17273	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90563	0.7
59.01391	1.2
59.07528	0.6
61.98835	1.4
67.01895	0.7
69.95517	1.5
70.68546	0.7
70.71603	0.7
71.01389	16.3
73.10680	0.6
77.76637	0.6
95.01398	3.9
96.95990	0.8
98.21945	1.4
109.02955	0.9
111.00862	0.7
115.00383	9.4
121.02974	1.3
123.00897	15.5
124.01691	1.2
127.00362	1.0
127.07603	0.6
136.98845	0.9
137.02480	3.0
138.03246	2.7
139.00386	6.3
140.01128	2.4
141.01926	2.4
153.05550	1.3
154.02882	0.9
166.99849	9.0
168.00627	2.7
181.01422	4.5
182.02231	1.4
183.03046	3.2
185.11841	5.3
191.24446	0.6
195.03015	2.0
197.04608	2.0
236.06935	9.3
237.07564	1.1
251.09265	16.1
252.09554	1.1
291.12411	1.2
332.12421	0.7
333.13440	1.3
335.11453	3.2
349.13266	0.8
350.13736	33.9
351.14130	1.8
365.16052	100.0
366.16321	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14223	0.6
57.03465	0.6
58.27366	0.5
59.01384	100.0
60.01717	1.3
70.47739	1.2
71.01387	5.4
73.02957	2.5
81.03439	0.7
83.01400	1.0
85.02972	5.2
86.02490	0.8
99.00877	0.7
99.04543	1.1
101.02452	4.6
102.06217	0.6
109.02956	1.1
110.35042	0.5
113.02473	2.9
121.03023	0.8
121.06576	0.9
122.03772	2.3
123.04539	0.6
125.02468	0.9
133.02956	0.7
133.06564	0.7
134.03772	1.2
135.04535	3.5
137.06102	0.6
143.03737	0.6
147.04538	5.1
149.06073	7.0
159.03021	1.0
161.02489	1.7
161.04565	7.6
165.05589	4.8
168.24731	0.6
175.04063	1.0
176.04768	4.4
177.05594	9.0
179.03577	1.9
201.05562	1.3
213.09207	1.1
213.22630	0.6
214.06392	0.6
215.10802	0.7
219.06703	1.9
226.06419	0.8
229.08810	0.8
235.69258	0.6
241.08720	3.3
244.07408	1.4
259.09772	22.9
260.10193	2.0
277.10776	3.9
342.49057	0.6
420.63391	1.8
421.14511	1.1
423.13211	1.0
481.17300	2.8
481.26804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27332	1.3
57.03457	4.0
58.00573	1.6
59.01385	100.0
59.14774	1.4
71.01388	34.1
72.99284	1.8
73.02953	33.4
78.95917	2.5
83.01369	7.3
85.02956	13.5
87.00886	2.3
88.45184	1.5
89.02436	7.9
95.01372	2.1
95.89458	1.5
101.02454	25.0
109.02953	12.2
113.02457	15.8
118.98090	1.8
119.03479	3.2
119.34494	1.8
125.02427	1.7
126.03223	5.3
127.04010	5.2
145.06569	2.2
147.08173	14.3
149.06026	1.9
153.00192	1.9
157.06602	5.1
161.04532	4.8
164.04529	1.9
175.07690	12.0
187.07668	8.9
201.05708	1.9
207.10280	40.7
219.10341	7.8
227.10818	3.0
259.13348	5.0
277.14453	6.6
296.20828	1.6
311.09680	4.5
313.72433	2.0
363.52286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72315	1.0
69.22726	6.2
78.95444	2.4
78.95907	49.6
86.83880	1.0
94.41212	1.0
96.96980	4.0
146.76285	1.0
152.99600	61.0
156.18033	1.2
164.35910	1.0
171.00650	19.5
200.92462	1.0
211.70657	1.2
227.03285	5.9
240.31509	1.4
245.04326	100.0
246.04613	3.0
253.21742	67.0
254.22029	2.8
434.34970	1.2
481.25775	41.2
482.25955	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	482.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
58.45618	1.2
59.01384	10.3
61.98836	95.6
69.15003	8.3
71.01385	7.6
73.02940	9.9
75.00893	1.5
81.03473	1.8
83.01406	8.3
85.02964	5.7
87.00903	1.8
99.04495	1.8
101.02444	5.6
108.02178	2.3
111.08171	3.8
113.02465	3.7
120.08731	1.3
123.04552	3.1
125.09715	7.0
126.05643	1.8
127.00364	3.4
133.02963	1.6
135.04530	5.7
149.06097	2.5
150.06796	1.2
151.00391	1.2
151.07664	1.8
152.01173	5.0
161.02454	4.9
161.04599	1.5
161.05965	1.4
167.03519	7.5
168.03894	4.0
171.10284	100.0
172.10622	4.4
177.05507	10.0
178.05949	3.7
179.03542	3.5
185.11856	4.8
188.35110	1.3
213.11372	3.5
251.12888	1.5
253.04506	1.3
259.09668	1.5
261.11395	1.9
270.07104	1.4
278.11560	2.0
279.12338	3.7
291.14246	1.7
474.69910	1.3
482.64838	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	482.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29438	0.2
59.01381	1.8
61.98824	0.4
63.67801	0.2
64.01926	0.2
65.62577	0.2
65.99853	17.5
67.00195	0.2
68.47955	0.2
68.99837	0.3
69.33789	1.0
73.02949	0.3
81.02206	3.2
81.03480	0.5
82.02991	49.5
83.01391	6.3
83.03317	0.7
85.02952	1.1
87.39493	0.2
89.02476	0.2
94.03002	1.3
94.06645	0.3
97.01711	1.1
97.53743	0.2
99.00888	0.7
105.64065	0.2
106.02985	1.5
107.03762	2.1
109.01704	3.4
110.02545	0.2
113.02479	0.3
115.00381	0.5
118.03004	0.3
120.00932	0.8
120.08199	1.2
121.01711	0.5
121.05384	0.3
122.06134	19.6
123.03260	0.3
123.06490	0.4
124.04064	0.7
125.02453	0.4
125.98376	0.6
129.05856	0.3
132.04572	0.2
133.01425	0.6
133.02957	0.6
134.02478	0.8
134.03580	0.2
134.06140	0.4
135.03348	0.3
135.04527	1.0
136.04053	7.0
136.04858	0.3
136.07707	0.8
138.05656	0.3
144.08188	0.3
150.01964	1.2
150.05592	0.3
152.03555	1.6
157.05338	0.3
158.06104	0.2
160.07724	0.3
161.02440	1.6
162.01883	0.5
164.03534	4.6
165.04219	0.3
172.07706	3.0
173.08400	0.6
174.09328	1.2
178.05109	0.2
179.03502	0.8
180.02957	0.4
181.07532	0.2
183.05624	0.3
184.06348	1.0
185.04814	0.3
185.07199	0.7
189.08003	0.3
194.04602	21.7
195.04933	0.7
195.06712	0.2
196.06136	0.8
196.07716	1.4
197.08549	0.2
197.10968	0.4
198.09375	1.6
199.06743	0.3
199.08755	4.0
200.07207	1.4
200.08986	0.3
210.05716	0.3
211.05119	0.3
211.13332	0.4
213.06824	0.6
213.10373	0.6
222.09299	1.1
223.08774	0.6
224.07216	3.1
225.06609	0.8
225.08180	0.6
226.07298	2.5
227.08218	2.2
228.09010	0.6
237.10326	0.5
238.08752	2.7
238.11000	0.4
239.08180	1.2
239.09554	1.4
239.11992	0.6
240.05328	0.4
240.06473	0.4
240.08778	4.1
241.06297	0.9
241.09781	8.3
241.13667	0.4
242.10425	0.6
243.07771	0.6
243.15178	0.4
245.06738	0.3
249.11104	0.3
250.07549	0.3
250.11432	0.6
251.08269	1.2
252.06670	1.4
253.06317	1.2
253.09917	1.0
253.13394	0.2
254.06895	0.4
254.10535	2.0
255.07779	3.5
255.11414	4.3
256.08569	1.1
256.12158	1.9
257.10620	1.7
265.09808	0.8
266.08188	1.6
266.10690	1.3
267.08774	3.8
267.11618	0.6
268.08450	12.1
269.09305	5.2
270.07819	0.3
270.10187	2.1
271.10852	0.4
281.09360	0.3
282.10120	9.5
283.10886	35.3
284.11667	46.0
285.08801	2.4
285.12070	3.0
286.09259	0.3
287.10355	0.4
291.92731	0.2
295.14526	0.8
299.10593	0.7
300.11209	0.7
309.08948	2.4
310.09613	8.6
311.09869	0.6
314.09372	0.2
315.10300	0.6
315.13513	17.6
316.10739	0.3
316.13821	1.4
321.16351	0.3
327.09857	17.9
328.10648	71.5
329.10947	4.4
347.13770	0.4
359.12497	16.1
360.12939	1.3
364.16638	0.5
378.14734	0.5
389.15149	5.4
390.15448	0.2
391.15778	0.4
404.16299	0.3
406.17728	11.8
407.17999	0.9
408.15622	0.2
421.17844	0.2
432.15759	2.5
433.15921	0.3
450.16718	100.0
451.17062	10.3
464.18362	0.3
469.32678	0.2
473.17120	0.3
482.18903	2.7
482.67947	0.6
483.19510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51359	8.2
59.01386	100.0
61.98815	19.2
69.12728	36.7
69.13139	18.5
71.01381	25.1
73.02961	53.2
83.01405	10.1
85.02932	8.8
89.02444	13.3
101.02429	43.5
101.64189	7.9
113.02495	15.9
133.91466	9.0
138.62697	8.1
278.09412	11.4
413.25400	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	482.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56459	6.2
59.01389	62.6
61.98837	10.5
64.95145	6.3
71.01393	6.8
72.08939	6.7
73.02959	7.5
74.02319	6.3
82.99491	5.5
85.02936	13.5
101.02441	13.5
121.02972	100.0
157.15634	6.0
161.02417	8.4
181.06601	11.0
204.20840	6.3
216.10779	6.1
225.05632	9.8
263.71506	6.1
302.69318	6.4
303.52695	6.4
313.07153	17.7
357.06152	9.7
397.22565	10.4
401.08746	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.7
59.01386	13.5
65.99853	18.1
69.33897	7.9
71.01383	7.2
81.02213	2.6
82.02996	38.8
83.01397	9.1
85.02956	7.3
85.88835	2.1
101.02445	2.4
109.01723	4.6
113.02465	3.1
115.00400	2.3
122.06148	17.6
133.01439	2.2
133.02933	6.6
135.04536	12.3
136.04042	4.7
145.06628	2.1
152.03569	2.3
155.23251	2.4
161.02477	11.0
164.03523	5.6
172.07761	3.7
177.90340	2.0
179.03491	11.0
194.04622	20.8
199.08954	2.0
211.13377	2.2
240.09149	2.9
241.09850	8.0
268.08499	10.7
269.09256	3.2
282.10086	9.0
283.10944	33.0
284.11676	46.5
285.12143	2.9
285.99814	2.3
286.03351	2.4
310.09698	3.8
315.13480	17.5
327.09842	12.5
328.10660	58.5
329.11002	6.0
359.12500	16.3
360.12958	2.3
389.15054	5.7
406.17804	11.4
450.16751	100.0
451.17050	9.3
465.85571	2.4
473.17551	3.0
473.67349	3.4
482.17905	17.1
482.68063	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	482.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77129	3.8
59.01388	19.9
62.32189	3.8
69.23271	25.4
71.01375	19.4
83.87623	4.4
84.00919	17.3
85.02963	5.9
87.89182	3.9
89.11691	4.1
101.02466	7.0
101.89099	3.7
104.37005	4.1
113.02442	10.9
114.01895	4.6
119.03505	4.4
152.99686	5.0
204.05061	7.1
225.28328	4.1
251.93562	4.4
254.22021	6.6
255.23264	8.5
256.23682	6.8
265.71683	4.3
273.22104	4.3
277.21735	100.0
278.22116	6.8
291.23334	26.6
319.22766	9.5
499.55743	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	482.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	21.2
69.90343	75.3
71.01373	36.8
74.82971	27.5
78.95893	85.6
113.02457	31.4
118.64305	23.8
152.99594	40.4
245.04115	28.0
254.22145	52.7
255.23297	92.9
256.23578	75.7
257.24191	61.2
276.58008	28.3
277.21747	100.0
422.65866	26.3
458.90115	25.0
471.93118	26.2
482.31744	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
69.10420	3.2
71.01377	1.4
72.99321	1.7
73.35355	0.5
77.34978	0.4
79.95733	2.8
85.02959	3.6
87.95236	0.5
93.68403	0.5
96.96017	100.0
98.21902	1.0
100.18864	0.6
111.00903	0.5
118.96606	0.7
134.03801	1.5
140.98718	2.0
158.98180	0.5
160.97694	0.6
182.99780	3.5
184.56516	0.5
191.00330	1.0
191.01935	1.0
193.05074	0.8
198.99382	0.5
205.98990	1.9
209.03188	0.6
225.26456	0.5
226.98737	1.0
232.00568	1.1
249.00920	0.8
257.01282	0.5
257.72275	0.6
258.02176	2.2
261.98114	0.5
270.97787	0.7
275.99442	1.5
288.98846	1.9
291.01865	1.5
302.01047	0.9
317.03525	3.4
331.01190	0.7
361.02386	0.8
405.01474	1.1
423.02853	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	483.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02370	2.0
78.95914	19.2
81.03458	18.2
83.05034	6.2
91.69109	1.9
93.03448	2.6
98.21867	6.6
107.05038	26.5
109.02960	18.8
131.05060	9.4
133.06601	13.0
145.06601	7.0
146.03770	3.2
147.04529	87.4
148.04855	3.4
151.28372	1.8
152.99612	21.9
154.82436	2.1
157.06566	2.3
167.01089	2.6
170.07320	2.2
171.04454	2.4
171.08203	4.1
172.05238	2.0
173.06071	17.0
173.09695	9.0
183.08131	13.0
183.11742	11.6
185.06166	2.3
185.09743	6.5
186.06828	3.6
195.08189	4.8
197.09729	7.7
199.07626	7.0
201.09218	51.0
209.06171	3.0
209.09726	7.7
210.06833	2.3
211.07629	11.1
211.11461	2.5
213.09213	3.5
223.07642	6.8
224.08446	7.8
225.05588	3.0
225.09258	12.1
227.03345	2.9
227.07149	9.0
227.10706	10.6
228.07922	9.5
229.08694	81.2
230.09177	3.2
237.09167	9.2
238.06305	2.3
241.08670	14.7
243.10258	6.5
253.08676	18.8
254.09627	2.5
255.10292	100.0
255.23303	84.7
256.10638	6.0
256.23621	2.6
261.09149	4.7
262.09451	2.4
263.10757	8.9
281.08121	5.2
289.08823	2.8
290.09549	2.5
291.10172	6.6
303.10294	3.2
313.12149	2.9
315.10184	7.8
315.13593	2.1
318.08774	4.3
325.12442	2.9
327.13913	4.7
329.11826	4.8
331.09854	3.0
336.13803	11.2
341.11697	2.6
343.09824	2.8
343.13461	5.2
344.10544	7.4
355.13187	3.1
356.14349	2.2
357.11148	3.8
370.12079	2.8
371.12918	12.7
372.13889	11.6
373.14502	15.3
382.11804	1.9
385.10828	7.9
398.11539	5.8
399.12280	3.8
400.13165	87.3
401.13715	14.6
407.12390	2.5
428.12714	8.7
446.60587	2.3
465.17368	9.9
483.18018	9.7
483.27292	34.7
484.28452	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	1.0
57.90126	0.7
58.00583	1.2
59.01377	4.4
59.98535	3.8
71.01388	10.3
71.05018	3.3
72.02171	2.9
73.02948	9.3
83.05033	20.8
85.02959	3.2
97.02946	1.5
97.06577	1.2
99.04531	3.5
101.06117	4.6
107.05039	10.4
113.70614	0.7
115.04021	2.1
120.05801	2.7
121.06602	1.0
127.04021	16.1
127.07670	2.1
133.06616	15.6
135.04555	1.3
135.07202	1.4
135.08179	17.4
137.64291	0.8
143.03477	1.9
144.04298	57.5
145.05081	42.3
147.08194	6.7
159.08186	0.9
159.16460	0.7
161.02444	1.0
161.06107	24.0
163.07648	0.8
175.07635	8.1
177.05589	0.8
177.09216	4.9
179.03465	1.6
187.07607	3.8
189.12912	1.8
193.08701	9.0
197.09682	2.7
199.11275	1.2
205.08728	1.0
205.12389	0.9
217.12350	67.9
218.12729	3.7
221.08229	2.8
235.13361	1.7
236.94733	0.8
243.10396	1.1
261.11331	76.7
262.11633	4.5
279.12393	100.0
280.12704	5.3
322.67123	1.0
408.64426	1.0
423.16757	1.4
425.14661	1.6
441.17581	1.8
483.18723	57.9
484.19183	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	483.1877
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
53.66716	0.7
56.79154	0.8
57.03447	0.7
57.58986	0.8
59.01381	6.0
61.98837	13.2
62.89455	0.7
63.99261	1.2
64.52682	0.7
70.28117	0.8
71.01402	5.6
73.02938	2.0
79.36913	0.8
81.03458	1.0
83.07181	0.8
85.02958	4.4
89.02470	1.2
95.01364	1.5
96.96020	2.0
99.00863	1.0
101.02456	2.7
108.02184	58.5
109.02964	68.1
113.02443	2.1
121.02988	0.9
133.02931	1.6
135.04550	2.4
152.01167	52.2
153.01958	32.0
154.02261	1.5
161.02469	4.5
163.03978	1.0
165.01900	1.7
179.03575	1.7
185.11833	3.0
189.14275	0.8
315.07257	2.3
406.90674	0.8
483.18744	100.0
484.19052	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16205	2.0
56.95783	2.2
57.87487	2.1
58.02963	2.5
59.01384	50.8
61.26314	2.0
61.98834	100.0
71.01385	15.4
73.02952	10.0
74.02461	3.7
78.83854	2.0
81.03499	2.8
85.02946	5.6
89.02455	3.0
99.05595	2.4
100.21101	2.3
101.02454	10.3
104.44163	2.3
113.02467	5.9
128.03539	6.3
133.02979	3.6
135.04552	8.6
137.06076	3.0
143.04587	11.2
160.00784	3.2
161.02487	18.2
162.02841	4.0
176.11417	2.3
176.78778	2.1
179.03445	8.1
185.69814	2.3
212.13527	2.2
231.13972	5.3
247.13252	2.4
249.14970	6.5
251.12837	2.3
254.07828	5.6
261.14972	3.6
272.08823	8.5
280.35693	2.6
282.89648	2.2
288.06580	2.8
291.16022	7.9
299.16464	5.2
303.16095	6.3
306.07645	15.4
310.36942	2.3
315.15863	8.6
333.17099	6.6
363.18005	6.0
374.00504	2.4
393.19049	3.8
416.66122	2.7
446.58066	2.4
473.67374	4.4
482.68088	26.9
483.18192	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05769	7.2
59.01379	100.0
61.98835	17.5
70.89637	9.0
71.01375	31.7
73.02946	25.9
85.02943	16.9
89.02462	14.4
91.88981	6.9
101.02439	16.7
106.04707	7.7
109.18763	7.3
113.02468	15.6
113.21524	7.6
115.12133	8.5
119.69189	6.8
135.04495	9.5
144.03777	8.5
159.80783	8.2
161.02460	13.6
179.03453	13.2
211.23009	7.5
279.15967	12.1
296.64731	9.9
461.15305	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69561	0.4
70.07129	0.9
78.95911	7.2
79.56356	0.4
80.82499	0.4
98.21902	0.4
132.60313	0.5
152.99599	15.6
171.00636	1.0
227.03278	3.0
232.03998	0.5
245.04459	0.9
255.23317	100.0
256.23648	4.7
283.43344	0.4
483.27319	23.7
484.27972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64662	0.4
65.04923	0.4
70.07303	1.1
78.95908	8.6
79.85472	0.4
92.70440	0.4
96.96978	0.4
109.68397	0.4
152.99593	14.1
171.00623	1.1
181.02493	0.4
225.38348	0.4
227.03256	2.8
245.04231	1.2
255.23306	100.0
256.23679	5.8
276.22446	0.4
483.27307	23.6
484.28055	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05129	0.6
70.78198	0.8
78.95912	16.6
96.96957	1.9
99.73780	0.6
134.75084	0.6
146.45663	0.5
152.99603	27.4
153.99944	0.7
171.00720	1.0
173.28938	0.6
182.53294	0.6
227.03276	4.7
255.23318	100.0
256.23691	5.2
258.60950	0.6
391.22675	0.9
483.27335	51.6
484.27808	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	483.2753
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
59.01371	4.7
61.98835	1.9
63.08791	0.9
68.16331	1.0
69.37186	1.6
69.37593	3.5
71.30948	0.9
75.00891	4.6
85.60282	0.9
89.70991	0.8
103.45888	0.9
104.16862	1.0
106.04225	1.2
111.00894	6.7
117.03501	1.4
121.02944	4.4
133.02960	14.5
134.03758	46.9
135.04553	30.0
137.02454	23.2
137.93930	0.9
139.04045	6.5
150.03235	1.9
163.04012	2.7
165.01822	1.1
178.02721	13.5
179.03508	29.4
188.08473	1.3
197.11653	0.9
199.58957	0.9
270.13956	1.1
399.36243	0.9
439.28815	1.4
483.27554	100.0
484.27808	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	483.2757
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
58.15995	0.7
59.01365	0.8
61.98832	1.4
65.52264	0.6
75.00870	1.3
85.02953	1.7
93.03484	1.2
102.14657	0.9
106.04250	0.8
111.00935	1.0
114.39921	0.7
121.02952	3.1
126.18827	0.6
132.02197	0.7
133.02968	15.5
134.03758	45.8
135.02991	1.2
135.04544	25.4
137.02463	20.5
138.02701	0.8
139.04010	7.2
141.18433	0.8
147.60645	0.7
150.03218	1.9
160.84128	1.0
161.02463	2.3
165.02002	1.0
171.10249	0.8
171.89476	0.7
178.02730	13.4
179.03505	25.8
180.03819	1.2
183.57822	0.8
193.93141	0.7
244.58122	0.7
275.20242	1.9
291.19403	0.8
293.21237	0.9
389.39636	0.7
428.82233	0.9
439.28629	1.3
483.27545	100.0
484.27826	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	483.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80708	1.0
59.01386	10.0
61.98809	0.9
65.92470	0.8
70.51665	2.2
70.52013	0.9
72.11877	0.8
74.84259	0.9
93.03480	1.0
96.96002	1.4
107.05032	1.3
108.02181	1.1
111.00880	1.5
115.25100	1.0
121.02956	3.4
133.02974	16.2
133.90823	0.9
134.03760	46.6
135.04549	30.5
137.02454	22.7
139.04021	7.6
150.03278	1.7
161.02469	1.6
178.02745	11.9
179.03522	31.5
297.12997	1.0
422.07562	1.0
439.28516	1.5
440.75699	0.9
483.27548	100.0
484.27908	10.8
484.42358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.1
61.75749	0.4
61.98837	100.0
69.29391	2.6
71.01395	1.8
74.81058	0.5
75.00882	0.9
78.91896	7.7
82.31098	0.5
85.02960	1.4
89.02488	0.9
98.21910	1.3
101.02426	0.8
113.02482	0.9
131.03645	0.5
135.04559	1.8
146.01213	0.6
161.02481	1.7
161.04533	0.5
179.03506	1.7
200.44772	0.5
204.03386	0.5
206.11102	0.5
424.82098	0.6
440.65475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13629	0.4
56.88041	0.5
59.01382	2.5
61.98835	100.0
66.87441	0.4
69.23549	1.6
69.23952	0.8
70.13985	0.5
71.01392	0.9
71.92000	0.4
83.05019	0.6
85.02981	0.4
98.22625	0.9
100.55996	0.4
116.73870	0.4
135.04579	0.7
161.02449	0.7
198.44940	0.5
290.55804	0.5
307.12390	1.0
308.12656	1.0
313.92273	0.5
369.22839	3.1
378.99774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72998	0.8
59.01385	4.2
60.74680	1.0
61.98833	100.0
62.66256	0.9
69.26944	4.4
75.18707	0.9
81.45078	0.9
133.06889	1.0
146.52071	0.8
162.83838	1.3
178.51904	0.9
235.13345	1.0
256.92691	1.0
284.14294	1.4
299.16461	3.0
362.40744	1.0
421.18622	1.2
457.86044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57718	0.1
59.01382	3.1
61.98835	100.0
64.67448	0.1
66.92480	0.2
71.01401	0.3
78.78033	0.1
83.05030	0.3
85.02975	0.3
92.63526	0.2
97.06609	0.2
103.39507	0.1
105.05038	0.2
112.10249	0.2
126.34888	0.2
135.04568	0.3
135.08229	0.2
143.04640	0.2
161.02530	0.4
162.83975	0.2
171.08173	0.2
179.03519	0.3
183.08134	0.2
185.06075	0.2
199.07695	0.4
211.95863	0.2
263.16409	0.2
281.15485	0.2
283.13547	0.7
284.14252	0.2
299.16571	3.2
310.12430	0.2
317.17722	0.5
325.14246	0.8
343.15604	0.8
361.16757	0.7
382.64093	0.2
385.16583	1.0
483.68604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58810	0.2
59.01369	0.4
61.98834	100.0
63.80046	0.2
63.84496	0.2
70.21384	0.5
92.22481	0.2
98.65670	0.2
114.23430	0.3
312.90451	0.3
424.21915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02308	0.9
58.02978	4.2
59.01384	8.1
61.98835	100.0
63.97821	0.9
69.18101	6.6
74.02479	9.7
74.31482	1.0
76.20919	0.8
82.02978	1.8
84.37996	0.9
85.02990	1.1
86.02492	4.4
86.06126	1.3
86.92301	1.1
87.05649	2.8
96.56114	0.9
97.05206	1.1
99.05656	10.4
101.07199	1.5
102.05627	1.1
107.06178	1.4
108.14468	0.9
111.05641	1.2
112.04063	1.4
123.05643	1.7
123.08156	1.2
127.05145	1.8
128.03555	24.6
129.04015	1.4
135.05661	2.3
137.12389	1.1
141.06700	2.6
143.04634	40.9
145.06154	1.2
146.04576	3.1
153.06761	3.2
160.00729	9.6
161.02458	1.1
167.04553	1.5
176.81055	0.9
177.03416	4.2
179.04684	7.0
184.39406	0.9
197.05833	1.5
199.07726	1.1
210.08864	8.1
254.07848	15.0
272.08884	22.2
288.06628	6.4
289.83578	1.1
299.16632	3.6
306.07672	40.0
307.08063	1.7
469.02524	1.0
475.31299	1.2
483.68506	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	484.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51997	30.7
50.79103	37.0
61.98828	100.0
90.44624	33.3
106.06588	38.1
145.95699	29.7
157.47824	31.6
234.35695	36.3
391.03494	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40245	1.6
53.51137	1.8
59.01386	6.9
61.98836	100.0
70.34357	3.3
71.01387	2.3
73.07360	1.5
75.53852	1.5
83.05074	4.1
118.74117	1.6
127.04060	1.6
142.57259	1.5
142.79398	1.5
175.25557	1.5
196.64198	1.8
208.46191	2.4
268.96274	1.6
299.16635	2.7
319.91992	2.1
417.80585	1.7
501.99548	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	485.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.8
59.01385	16.8
61.21215	0.9
64.89051	0.8
71.01389	6.5
72.99363	1.2
78.95918	3.9
79.95744	3.9
81.03483	1.0
82.62146	0.9
83.01378	2.0
85.02959	41.6
89.02453	2.4
90.97144	2.2
96.96019	100.0
96.96900	5.0
97.93169	1.0
98.21780	1.4
101.02458	1.6
111.00898	2.0
113.02498	1.6
118.72768	0.9
118.96648	2.6
126.15756	1.3
129.01938	3.3
132.98186	1.4
147.03001	5.5
147.08145	2.2
157.26405	1.0
160.97675	2.1
162.98763	0.9
168.36546	0.8
191.01985	20.8
197.01378	2.8
207.10260	1.9
209.02997	4.2
238.01665	1.2
249.04466	2.8
251.06085	6.2
263.06000	8.3
263.57382	1.0
291.05618	1.2
305.07080	15.4
323.08054	3.0
365.09320	5.0
387.16626	20.5
387.21533	1.1
388.17117	1.8
425.11417	8.2
438.20520	1.0
467.12161	1.4
481.05121	1.2
485.13678	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	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
56.31858	1.2
57.03450	12.4
59.01382	28.3
59.94066	0.9
64.71011	1.0
68.99815	5.7
71.01025	1.4
71.01388	19.3
72.99301	2.2
73.02946	4.9
75.00888	3.1
83.01390	3.5
84.02174	1.6
85.02956	100.0
86.03291	1.9
87.00851	1.7
89.02446	11.9
97.26692	1.0
99.00889	14.0
101.02457	7.9
103.00396	2.0
105.01974	1.6
111.00876	5.2
113.02493	6.0
115.00373	2.2
117.54057	0.9
119.03485	4.3
128.03555	2.8
129.01968	7.2
133.02962	7.3
134.03761	6.6
135.04536	24.2
137.02429	1.7
141.01929	3.7
147.03017	14.0
148.05408	1.3
149.06084	4.6
153.09221	3.5
159.02982	1.0
161.02469	25.2
161.04498	2.3
162.02739	1.3
173.00848	1.6
175.04092	1.3
177.01833	1.3
177.05528	7.5
178.02679	2.3
179.03496	19.6
180.03716	1.0
191.01984	31.4
193.05063	2.9
195.65045	0.9
205.12274	1.4
221.04570	9.1
223.13405	1.0
228.84843	1.0
251.05634	4.8
262.94574	1.1
281.06741	7.7
323.07693	1.4
323.13480	18.8
341.08698	2.1
369.22885	2.5
385.18848	1.8
467.11224	1.2
483.03317	1.3
485.16687	22.6
486.16495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75652	1.1
55.01910	1.2
56.29318	1.1
57.03454	7.1
59.01086	2.8
59.01382	44.0
60.81846	1.2
69.84000	1.2
71.01385	21.6
72.99294	1.3
83.01396	2.2
85.02959	44.8
87.00831	1.5
89.02457	24.6
96.11229	1.4
96.65027	1.2
99.00883	3.1
101.02443	16.9
111.00898	2.1
113.02486	11.0
119.03514	9.8
129.01942	2.9
133.02962	17.1
134.03780	8.4
135.04536	74.4
136.04855	2.9
137.02512	1.7
142.28500	1.3
146.50017	1.2
147.03040	6.1
148.05347	2.9
149.06097	13.8
154.26881	1.2
161.02452	64.1
162.02803	2.8
177.05579	30.0
178.05899	1.3
179.03513	69.6
180.03845	2.2
191.01976	14.5
213.65536	1.4
221.04565	33.5
251.05586	19.5
270.81647	1.5
281.06683	33.8
282.06897	1.6
323.13492	88.9
324.13892	4.5
341.08868	7.7
485.16656	100.0
486.17102	11.0
496.65805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
56.31858	1.2
57.03450	12.4
59.01382	28.3
59.94066	0.9
64.71011	1.0
68.99815	5.7
71.01025	1.4
71.01388	19.3
72.99301	2.2
73.02946	4.9
75.00888	3.1
83.01390	3.5
84.02174	1.6
85.02956	100.0
86.03291	1.9
87.00851	1.7
89.02446	11.9
97.26692	1.0
99.00889	14.0
101.02457	7.9
103.00396	2.0
105.01974	1.6
111.00876	5.2
113.02493	6.0
115.00373	2.2
117.54057	0.9
119.03485	4.3
128.03555	2.8
129.01968	7.2
133.02962	7.3
134.03761	6.6
135.04536	24.2
137.02429	1.7
141.01929	3.7
147.03017	14.0
148.05408	1.3
149.06084	4.6
153.09221	3.5
159.02982	1.0
161.02469	25.2
161.04498	2.3
162.02739	1.3
173.00848	1.6
175.04092	1.3
177.01833	1.3
177.05528	7.5
178.02679	2.3
179.03496	19.6
180.03716	1.0
191.01984	31.4
193.05063	2.9
195.65045	0.9
205.12274	1.4
221.04570	9.1
223.13405	1.0
228.84843	1.0
251.05634	4.8
262.94574	1.1
281.06741	7.7
323.07693	1.4
323.13480	18.8
341.08698	2.1
369.22885	2.5
385.18848	1.8
467.11224	1.2
483.03317	1.3
485.16687	22.6
486.16495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03452	13.4
59.01383	100.0
71.01386	67.8
72.01727	1.8
72.99303	5.1
73.02953	15.4
75.00870	3.9
80.91347	2.0
82.95440	2.4
83.01385	5.1
84.02171	2.1
85.02955	84.1
87.00884	3.7
89.02451	89.7
96.96017	3.5
98.95602	3.1
99.00869	4.6
99.92587	15.6
100.93360	9.3
101.02456	51.6
101.90550	1.8
107.20035	1.9
109.89284	2.0
111.00850	4.4
113.02456	12.4
115.92073	16.2
116.92861	10.8
118.87627	1.7
119.03516	5.9
125.02489	2.1
128.56796	2.1
129.01959	7.5
131.03508	21.2
133.02946	3.2
134.03748	5.2
135.04510	3.1
147.03011	10.3
149.04578	73.7
160.01636	2.7
161.02368	3.4
161.04549	2.6
163.02551	3.3
175.03848	2.2
184.95518	4.8
191.02005	36.0
191.05637	13.7
193.05060	2.1
209.03033	20.1
217.96759	4.2
228.94492	7.1
261.95715	3.8
276.97958	10.6
290.96042	7.5
291.96292	3.0
296.47827	1.9
307.44537	2.2
398.79944	2.3
467.12042	3.1
485.13666	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	485.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
59.01384	100.0
69.71470	5.4
69.71854	4.9
71.01389	32.9
73.02952	5.5
75.69267	2.2
75.80061	2.6
85.02952	29.4
87.00890	4.8
89.02452	34.7
93.03456	4.3
101.02415	14.4
107.05041	29.5
109.02956	7.9
111.04528	3.1
113.02435	13.7
119.03522	14.2
122.03757	4.0
127.94318	2.1
133.02980	10.3
133.06602	10.5
135.04544	10.1
135.08197	14.3
143.03488	2.5
149.02434	2.8
149.06050	5.0
151.07649	9.2
160.95599	2.5
161.02467	8.3
161.06084	28.8
163.07668	8.0
179.03470	17.9
182.49562	2.4
182.81332	2.2
184.31799	2.3
185.09685	2.5
189.05621	10.6
191.02043	5.3
191.67868	2.5
194.61061	2.2
197.09735	3.8
209.09689	7.3
211.07695	3.1
217.12396	20.8
227.10782	94.4
228.11153	6.9
241.67810	2.4
245.11801	27.0
263.12796	8.6
277.86942	2.6
281.13867	2.9
416.71320	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	485.2912
Annotation	Zhankuic acid C
Peak:m/z	Relative Intensity
53.54436	1.0
54.29641	0.8
61.98795	1.1
69.59129	2.5
82.96707	1.0
160.84285	1.0
377.28421	5.6
379.30096	1.2
423.28979	9.1
424.29568	1.7
439.28738	2.1
440.28574	1.5
485.29117	100.0
486.29492	9.2
505.66312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.12093	0.6
61.98833	1.0
62.03827	0.7
64.66118	0.6
69.01934	1.3
69.02336	3.5
79.07096	0.7
91.74564	0.7
98.22097	3.5
137.77161	0.7
154.66083	0.7
229.45815	0.7
271.97131	0.7
329.12540	0.7
430.13419	0.8
485.32776	100.0
486.33023	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	486.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
61.56356	1.1
61.98834	100.0
69.13879	7.0
71.01393	6.3
73.02950	1.8
78.42587	1.0
85.02946	2.7
89.02444	2.7
101.02457	2.8
108.24399	1.2
109.81919	1.1
115.00368	1.1
130.08752	21.5
133.02966	11.1
135.04547	3.8
161.02460	47.8
162.02817	1.7
179.03510	1.9
234.97296	1.2
251.16557	1.5
423.16617	45.2
424.16733	3.6
485.34796	1.6
486.27127	20.0
487.13815	1.6
487.21997	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	486.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66516	0.2
59.01390	0.8
61.98835	100.0
70.55312	0.4
71.01373	0.4
78.27666	0.2
85.02957	0.4
98.22565	0.3
103.80862	0.3
135.04517	0.3
172.94881	0.3
179.03539	0.6
206.30492	0.2
384.24332	0.3
450.60928	0.3
455.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37257	0.4
50.87762	0.3
53.83425	0.3
54.45014	0.4
57.03435	0.4
59.01385	1.4
59.10658	0.4
61.98834	100.0
62.35695	0.3
70.30428	0.4
70.73836	0.6
71.01395	0.9
102.47388	0.3
121.02972	1.6
130.11150	0.4
161.02480	0.4
219.32452	0.3
267.13910	0.4
289.17374	0.4
313.07385	0.5
401.08905	1.3
462.76514	0.4
487.33078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
61.41104	0.6
61.98834	100.0
63.99250	3.2
69.64648	2.3
71.01402	1.5
77.07773	0.7
85.02965	0.8
97.06624	0.7
101.02515	0.8
106.52180	0.7
113.02441	0.9
128.03610	0.9
143.04631	1.5
155.19817	0.7
161.02469	1.2
205.12518	1.0
221.00162	0.8
248.14302	0.8
250.15248	0.9
264.16730	0.8
273.04578	0.7
308.07492	1.1
311.01721	0.7
362.50211	0.8
426.22235	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	486.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
61.98836	100.0
69.68036	0.9
71.01381	0.3
73.02952	0.3
79.00406	0.2
79.03262	0.2
79.54961	0.2
82.00207	0.3
83.05056	0.2
85.02952	0.5
97.59428	0.2
98.22568	0.4
113.07531	0.2
120.45545	0.2
124.07710	0.4
135.04549	0.4
161.02432	0.4
179.03474	0.3
209.87677	0.3
247.13075	0.3
248.14270	0.3
249.14639	0.3
253.12616	0.2
264.16837	0.5
265.18167	0.3
287.14096	0.8
288.14526	0.5
301.18356	0.5
312.20099	0.3
323.43417	0.3
326.21109	0.3
327.16068	0.3
363.60788	0.2
373.01263	0.2
408.21271	0.3
410.82434	0.2
424.18137	0.2
426.22308	0.3
427.23630	0.6
450.19870	0.3
454.17160	0.3
487.63019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64739	0.4
59.01381	2.9
61.98833	100.0
64.34523	0.4
69.38976	2.2
71.01395	1.2
71.89972	0.4
73.02946	1.0
78.36475	0.4
79.29461	0.4
85.02982	1.2
89.02467	0.8
99.92618	0.6
101.02467	1.0
113.02525	0.7
119.22224	0.4
131.34993	0.4
133.03021	0.7
135.04552	1.7
161.02510	1.5
179.03558	1.6
190.04214	0.5
252.17369	0.4
487.31015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.40314	0.5
61.98835	100.0
69.21706	2.7
71.01382	1.4
73.02966	0.7
73.46906	0.4
85.02976	1.0
98.22596	1.2
101.02459	0.7
102.09788	0.5
104.60176	0.5
107.05051	0.6
133.02983	1.0
135.04561	1.5
138.63901	0.5
139.25064	0.5
161.02481	2.5
179.03488	1.2
205.53645	0.6
217.12427	0.8
228.91246	0.6
457.11710	1.1
464.63266	1.1
465.12436	0.5
486.29581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11583	1.0
55.66634	0.9
57.02023	0.9
57.53033	0.9
71.40370	1.2
77.65321	1.0
80.26418	1.1
88.04049	51.8
96.96068	1.3
117.51302	1.0
137.36995	1.0
147.08131	1.4
149.09673	1.3
163.11255	2.8
187.11220	2.5
249.95576	1.0
309.22278	1.3
323.81210	1.1
337.21759	100.0
338.22119	10.6
349.08597	1.0
486.26971	11.1
487.27420	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	486.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06630	1.4
59.01388	8.7
60.50843	1.1
61.98836	100.0
63.99245	1.8
65.06178	1.3
65.23076	1.1
70.85265	1.3
71.01381	2.1
101.02444	1.8
135.04608	2.1
161.02452	1.8
179.03505	1.7
265.13931	1.1
310.61716	1.3
318.54700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.45773	1.1
59.01383	8.4
61.98820	3.5
64.84345	0.8
68.99830	2.1
69.18507	3.0
69.18910	2.3
71.01388	68.1
72.01767	1.2
72.99326	4.5
75.00876	5.1
85.02956	5.4
89.02440	2.8
90.55371	0.9
95.01405	1.7
99.00890	4.8
101.02438	1.8
106.58237	0.9
115.00385	49.4
116.00694	1.3
117.03452	1.0
119.04990	2.4
121.02964	3.0
131.02235	0.8
133.01448	55.4
134.01787	1.3
134.03693	1.5
135.04584	1.3
137.02454	1.2
137.82396	1.0
139.00343	1.1
145.02931	3.3
160.05411	2.1
161.02440	2.3
163.04033	1.3
191.02048	1.5
193.05084	1.2
195.08089	1.5
206.07448	1.1
207.08218	1.2
209.06131	2.0
211.07593	1.4
221.06010	1.8
222.06931	1.5
223.07622	3.6
234.06841	1.7
235.07712	3.5
237.05595	1.8
239.07143	6.2
247.11972	1.1
249.05553	3.2
250.06207	3.0
251.07155	14.8
252.07523	2.1
262.06271	2.3
263.07117	8.6
264.08011	5.2
265.04974	1.2
265.08780	2.1
266.05939	1.7
267.06659	31.7
268.06967	1.8
278.09485	1.6
279.06641	21.0
279.09497	1.0
280.06964	2.2
281.08286	1.1
282.08984	15.5
283.09369	1.6
293.08078	1.6
294.05392	7.9
294.08984	8.4
295.06168	9.6
295.09268	1.7
297.11499	5.2
306.05478	1.2
307.02988	1.0
307.06134	4.7
308.06915	1.7
309.07724	9.9
309.11023	1.7
310.08459	4.1
311.05621	3.5
321.07986	1.1
322.08496	8.3
323.05606	26.6
323.09091	3.0
324.06064	2.0
326.07996	10.8
338.07996	22.6
339.08014	1.8
341.10300	71.6
342.10547	5.2
353.10333	100.0
354.10663	7.8
371.11386	3.7
371.16168	1.1
371.24286	1.7
387.20477	1.0
390.25098	1.1
397.10950	1.0
427.22968	1.2
445.17358	1.7
487.18417	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	487.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22054	1.3
65.08376	1.3
69.10455	2.2
69.10858	7.4
71.01389	54.3
72.34122	1.4
72.99318	2.4
74.71922	1.3
115.00378	36.4
116.87143	1.6
117.61813	1.4
117.85406	1.6
121.02918	3.3
133.01434	31.7
145.02968	2.4
146.39626	1.3
146.56091	1.4
147.04523	1.8
148.05327	7.0
151.45479	1.5
159.80923	1.7
191.03516	4.0
191.07202	5.0
192.04303	2.3
206.05687	2.0
207.08195	4.2
211.07631	1.8
220.03882	2.1
221.06168	2.5
223.07645	3.4
234.06747	1.7
235.07738	3.0
239.07205	8.1
249.05618	3.4
250.06372	4.0
251.07124	14.5
262.06302	3.4
263.07181	9.2
264.07919	4.7
265.08484	1.9
266.05722	1.8
267.06644	29.6
268.07178	3.2
277.05011	2.6
279.06598	20.9
280.06833	2.0
281.08322	1.8
282.08966	14.7
293.08157	2.2
294.05319	8.6
294.08987	7.5
295.06122	9.2
297.11353	3.7
307.06198	5.4
308.06796	2.8
309.07755	12.6
310.08347	4.7
311.05624	3.2
321.07666	2.9
322.08514	5.7
323.05664	24.0
323.09238	3.0
326.07944	10.0
338.07956	23.8
341.10327	71.0
342.10577	4.8
353.10321	100.0
354.10657	4.7
371.11404	30.9
372.11734	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.0
59.77869	1.5
60.41876	1.4
61.98838	42.2
71.01389	56.9
71.15732	1.4
72.99303	2.1
73.02949	3.6
76.92574	1.4
85.02949	7.6
86.03299	2.1
89.02442	2.0
99.00914	1.8
101.02437	2.6
113.02434	2.4
115.00372	26.4
117.03472	4.2
119.04979	4.4
121.02948	3.1
133.01440	12.8
133.02927	2.3
134.03690	1.9
135.04491	5.8
145.02971	10.6
160.05449	1.7
161.02486	9.3
162.03020	1.5
163.03995	3.6
179.03447	5.1
181.35344	1.8
191.01949	1.9
191.07079	2.7
207.08078	2.2
210.06641	2.0
211.07683	2.8
221.06119	2.1
222.06943	3.2
223.07674	3.0
227.16428	1.7
234.06857	1.7
235.07683	2.7
239.07018	7.5
249.05505	4.3
250.06306	2.2
251.07176	13.3
252.07605	1.9
262.06039	2.0
263.07117	7.9
264.07980	3.5
266.05719	1.9
267.06653	33.5
268.07050	1.9
279.06580	19.5
282.09052	18.8
293.08121	1.6
294.05341	11.0
294.08990	9.6
295.06113	9.0
297.11429	5.9
309.07767	11.6
310.08276	4.7
311.05499	1.6
322.08511	8.7
323.05490	21.2
323.08813	2.1
324.05783	2.1
326.08011	7.2
338.07950	25.2
341.10312	64.9
342.10553	7.0
353.10330	100.0
354.10611	9.0
371.11435	14.6
371.24115	5.5
372.11868	2.1
397.76877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.1
60.37026	1.3
61.98833	7.1
65.68802	1.5
69.03442	4.6
69.56332	4.6
69.56672	1.6
71.01392	10.9
71.95123	1.3
72.99342	1.9
74.99411	2.1
78.10089	1.3
78.95889	5.2
83.01397	1.6
85.01460	4.0
85.02945	7.9
96.96043	1.6
97.02980	7.0
98.22624	1.4
98.99390	7.6
99.00837	2.2
101.00943	6.0
110.98528	1.6
113.00945	2.0
115.00474	1.3
117.00444	9.5
119.05024	4.2
125.00968	7.3
126.98897	1.5
136.93985	2.9
137.62622	1.6
139.02544	3.1
141.00461	42.3
147.02985	2.4
147.04533	1.6
153.00456	9.1
155.01997	5.4
157.03677	1.4
163.03984	4.4
165.00418	2.7
165.05540	2.8
167.02058	10.9
168.99855	2.6
171.01521	3.5
177.01881	2.1
179.02060	3.1
181.03604	2.5
183.01526	6.6
195.01529	2.8
201.02571	20.4
202.02774	3.4
203.02299	7.6
205.03540	6.2
207.01508	2.7
211.01106	1.6
221.03075	5.4
221.59059	1.4
222.99370	2.7
223.04591	1.9
243.03616	14.4
247.04573	10.6
265.05606	9.8
283.06741	3.2
343.03830	2.0
345.03488	4.9
367.08820	22.9
368.08847	2.8
427.10950	100.0
428.11212	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
57.03468	0.6
59.01381	2.8
65.36902	0.3
69.84717	1.1
71.01386	3.0
85.02956	5.0
89.02487	0.5
91.05518	0.5
95.01402	1.4
98.22681	0.4
100.98816	0.3
101.68565	0.3
107.05044	1.4
113.02457	6.3
117.03452	0.5
132.02168	0.6
133.02971	7.5
134.03769	3.4
135.04538	67.8
135.93945	0.4
136.04852	2.5
136.54985	0.3
147.11436	0.3
161.02455	22.3
162.02782	0.4
179.03508	100.0
180.03862	4.0
183.58022	0.3
233.04529	0.3
245.04486	0.7
251.05637	0.3
288.64032	0.3
297.12073	0.3
297.17484	0.4
302.05646	0.3
312.03937	0.3
345.36017	0.4
474.55289	0.4
487.14713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
62.94410	1.2
63.45938	1.2
69.76042	1.2
71.01392	2.6
71.51964	1.2
72.99320	1.5
81.29274	1.2
85.02943	2.1
89.02460	1.6
91.21667	1.3
96.95998	1.8
99.92595	1.7
100.93398	1.9
101.92442	1.8
113.01732	1.3
113.02468	1.5
115.92066	2.3
117.91853	1.7
119.05038	92.8
120.05337	1.7
134.03766	1.6
145.02965	4.6
161.02467	2.0
161.04535	1.5
163.04025	100.0
164.04364	3.6
205.04898	1.5
217.00154	1.8
278.98483	2.4
325.09302	9.3
406.99112	1.7
481.63940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.7
59.01382	2.6
67.03020	0.7
70.49817	0.2
70.92731	0.2
71.01387	1.9
72.00901	0.3
74.02485	1.6
82.02975	1.4
84.04549	3.3
86.02499	0.4
89.02441	2.3
97.04063	0.2
98.02494	0.8
99.05640	0.7
101.02458	0.9
101.07211	1.7
102.05611	0.2
102.48462	0.2
107.02540	0.4
109.04084	6.1
113.02457	0.9
119.03503	0.6
121.06788	0.2
125.03578	2.8
126.01977	0.7
127.05147	18.7
128.03555	7.5
128.05521	0.3
128.24791	0.2
143.03500	0.3
144.03033	0.9
145.06209	100.0
146.04607	0.9
146.06575	1.3
155.37920	0.2
161.04602	0.4
179.05621	1.7
240.54736	0.3
261.03183	0.2
272.64047	0.2
332.98459	0.2
341.10889	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	0.7
59.01379	2.2
69.43417	2.5
71.01395	2.0
74.02483	1.9
82.03002	0.9
84.04549	2.7
89.02451	2.3
89.63164	0.6
90.44034	0.5
97.04095	0.7
98.21973	1.3
98.22624	1.1
101.02471	1.1
101.07223	1.6
109.04082	6.5
113.02470	0.6
119.03480	0.6
125.03588	2.4
127.05145	19.7
128.03543	6.5
135.04497	0.8
145.06207	100.0
146.06561	1.6
161.04556	0.6
179.03540	1.3
179.05617	2.3
193.26675	0.5
208.58537	0.5
341.10928	4.2
450.58063	0.6
473.64426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
55.70317	0.7
57.03451	1.7
58.00578	0.9
59.01385	100.0
60.01725	1.2
69.03454	1.7
69.13232	0.6
69.78647	0.7
69.78993	1.8
70.64032	0.6
71.01390	47.8
72.01766	0.7
72.99316	1.8
73.02954	19.4
78.95905	0.8
80.91686	0.6
81.03463	1.9
81.72913	0.6
83.01398	5.8
85.02961	21.8
87.00888	5.4
87.04520	0.8
89.02451	24.9
93.03497	0.8
95.01402	6.2
96.96063	0.7
97.02955	3.0
99.00890	4.1
99.04546	1.2
99.92588	1.1
100.93378	0.7
101.02455	24.8
103.04018	4.2
111.00886	1.6
113.02464	36.9
115.04024	2.5
115.92102	1.3
116.92867	3.1
119.03551	11.2
119.05038	26.6
125.02471	6.5
127.04037	1.4
131.03552	3.8
133.02979	2.2
134.03751	1.4
135.01205	0.7
135.04539	9.7
137.02487	0.8
137.06100	4.5
141.00595	0.6
143.03496	7.1
145.05101	0.7
149.04582	2.0
155.03519	5.6
161.02455	4.0
161.04558	6.1
163.06143	5.6
179.03506	15.7
179.05547	1.8
193.05156	1.5
203.05663	9.2
205.07184	3.1
247.08171	1.0
279.99014	0.6
281.10300	13.0
282.11118	0.7
299.11444	8.4
315.17505	0.7
319.35257	0.6
341.12469	7.6
355.16956	0.8
385.10919	1.2
423.14139	2.1
427.11124	0.8
427.16214	5.2
445.17188	49.3
446.17413	4.1
487.18250	39.9
488.18588	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	487.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.43248	1.2
57.03435	1.8
59.01384	100.0
67.26875	1.2
71.01389	60.6
72.99318	1.6
73.02953	27.0
79.73786	1.3
83.01390	8.9
85.02958	28.7
87.00883	7.2
89.02455	35.1
95.01391	3.6
97.02958	3.0
99.00887	5.3
101.02454	52.8
113.02473	33.2
119.03503	16.4
125.02454	4.0
129.01930	1.6
131.03513	14.3
135.04524	5.2
143.03477	4.9
149.04604	2.2
159.02977	4.9
161.02498	2.9
161.04568	31.5
179.03484	10.7
179.05629	29.6
221.06677	52.7
222.06940	1.3
223.13455	1.4
252.09770	1.7
263.07813	9.0
285.52322	1.3
353.47568	1.4
393.92270	1.4
414.14917	1.5
445.17133	10.5
487.18497	6.1
487.30573	47.7
488.30951	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46445	0.9
55.01878	1.3
57.03446	2.1
58.06112	0.9
59.01383	28.3
61.98842	1.4
68.99823	32.8
71.01385	22.6
72.99324	1.1
73.02950	15.5
73.03321	1.3
75.00884	2.4
78.95904	4.1
81.03473	1.0
83.01414	1.5
83.05038	1.9
85.02950	10.8
87.00916	1.1
89.02451	7.9
93.03457	1.7
95.01395	1.8
97.02942	1.0
99.00892	100.0
100.01236	0.9
101.02455	10.5
105.03520	1.1
109.02946	7.9
111.00959	1.0
113.02456	6.5
115.00380	6.0
117.01948	2.1
117.03443	1.0
119.03553	2.8
119.05040	54.1
120.05379	1.9
133.01430	2.1
133.02969	21.1
134.03748	1.6
135.04547	24.2
136.04875	2.1
137.02460	1.1
137.04855	1.3
137.09708	1.0
143.03557	1.2
145.03038	0.9
146.03773	2.8
147.04517	3.4
149.06087	2.7
151.16924	0.9
152.99596	5.6
158.03749	3.6
158.43611	0.8
159.03127	1.4
159.04535	3.3
161.02464	59.2
161.04495	15.7
161.05910	1.6
162.02838	4.2
163.04031	36.1
164.04366	1.7
173.06053	1.9
175.03995	1.6
177.05559	4.0
179.03520	20.4
179.05629	7.6
180.03906	2.6
181.03998	1.2
189.12946	4.1
191.05539	2.3
197.04640	1.1
203.03551	1.2
207.13937	4.4
209.11835	14.6
221.04564	5.9
225.14996	1.7
227.12924	2.1
233.04588	0.8
253.47430	0.9
267.06616	3.9
268.07394	2.1
283.06992	1.3
283.09775	3.7
323.07739	41.4
323.13513	1.6
324.08090	2.1
324.13748	2.8
325.09720	4.2
325.13477	4.0
327.08786	3.8
371.16803	2.4
387.19965	1.1
455.17081	3.4
487.12405	22.6
487.18558	12.7
487.30719	1.5
488.12799	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36557	0.4
59.01384	8.5
61.98837	0.6
63.63355	0.5
68.99821	36.0
71.01387	8.2
71.40494	0.7
73.02951	12.0
75.00869	0.7
76.29745	0.6
83.01419	1.1
85.02956	5.8
88.98800	1.5
89.02441	5.5
93.93645	0.5
99.00887	100.0
100.01213	1.0
101.02458	4.5
112.98949	0.6
113.02447	5.1
113.08987	0.6
115.00375	1.3
117.01965	1.6
119.03524	2.3
119.05042	1.0
119.07308	0.6
123.08177	3.2
135.04549	2.7
137.09726	0.9
143.03497	1.3
161.02417	1.6
161.04547	4.2
163.11282	2.7
176.20944	0.5
179.03482	2.6
179.05612	2.0
189.12909	4.3
191.02000	0.8
207.13907	8.9
225.15024	2.8
371.17197	1.8
387.20197	4.2
456.20050	0.6
487.21808	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85533	0.9
57.01921	1.2
57.03456	1.5
59.01384	100.0
61.98826	10.2
69.96123	1.1
71.01395	11.0
72.99318	1.5
73.02951	13.2
74.99075	1.0
75.00825	1.2
78.78645	1.2
82.12427	0.9
83.01385	3.1
83.28807	1.0
85.02973	7.0
87.00901	2.7
89.02444	5.8
95.01380	1.5
101.02448	13.4
104.88741	0.9
113.02465	7.0
113.79272	1.1
118.98147	1.3
119.03481	2.8
120.99628	1.3
128.03564	1.4
131.03496	1.2
133.02965	4.0
135.04523	8.3
143.03493	1.3
144.10983	1.0
149.04611	1.3
161.02420	5.6
161.04538	2.4
179.03476	8.7
179.05658	1.0
187.11360	5.0
190.09888	1.3
191.02019	1.7
191.05605	4.1
204.11630	1.1
205.12332	7.2
229.49016	1.2
233.11807	2.9
258.81195	1.2
259.13290	1.9
277.14487	2.5
483.70969	1.1
486.66107	1.9
487.16028	1.3
487.21872	1.3
487.31262	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01708	0.8
62.29573	0.6
64.11295	0.6
67.32903	0.6
71.01383	6.3
73.02963	5.3
82.57066	0.6
83.01430	1.4
85.02964	1.9
89.02485	1.1
96.95983	0.8
98.21889	2.6
99.00905	0.7
101.02446	4.9
108.02602	0.7
113.02494	2.6
137.02498	0.9
137.09772	0.8
138.06870	1.9
143.03542	0.7
151.07698	2.0
152.08432	5.1
153.09232	14.2
153.10481	1.1
161.04625	3.0
163.11417	0.6
165.09215	0.9
179.10843	2.0
203.05757	1.0
205.12338	6.7
223.13385	4.9
247.63976	0.8
252.81723	0.6
365.82794	0.8
367.17645	15.3
385.18735	2.6
427.19922	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07811	0.3
59.01384	100.0
60.01718	0.8
61.98853	0.5
69.38979	0.5
69.39325	1.4
71.01404	1.2
73.02967	1.0
74.99117	0.5
77.92997	0.3
85.02973	1.0
89.02469	0.9
93.00171	0.8
101.02486	1.0
105.11365	0.3
113.02478	0.6
117.03817	1.0
119.03521	0.5
135.04567	0.7
136.99184	0.4
150.29515	0.3
156.72885	0.3
161.02484	0.7
161.04599	0.4
164.34923	0.3
179.03529	0.9
179.05661	0.4
191.05576	0.5
214.10074	0.3
219.06905	0.4
237.08026	2.3
269.22394	0.3
325.11890	0.3
385.19003	0.3
487.09937	0.5
487.22009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.56451	0.1
52.78970	0.1
61.98841	0.2
70.62534	0.2
151.40450	0.2
181.90804	0.2
242.64731	0.2
345.29407	0.2
363.26999	0.3
379.30029	0.6
391.29919	0.3
393.31540	0.2
409.31158	1.8
421.31042	0.4
487.34323	100.0
488.34680	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98523	1.2
61.98801	1.4
69.48952	4.9
71.05013	1.9
98.22631	2.0
99.48734	0.9
158.10802	1.2
348.69098	1.1
423.32764	1.7
427.32294	1.8
437.30734	1.4
467.31998	1.7
469.33234	18.3
470.33530	2.0
487.34338	100.0
488.34528	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	488.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01936	0.4
59.01385	0.9
59.23674	0.4
61.98836	100.0
69.31870	2.0
70.63940	0.4
71.01395	0.6
78.13227	0.4
80.91687	0.6
87.00932	0.4
98.21878	0.9
109.58418	0.5
130.81778	0.4
135.04614	0.6
152.03677	0.4
487.19946	0.5
498.29471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
61.98832	100.0
69.04301	4.7
71.01390	1.3
71.28384	0.6
90.97917	0.6
96.94439	0.7
98.21933	1.5
104.74905	0.7
121.02959	1.9
140.37524	0.6
154.28679	0.6
197.04692	1.8
209.76695	0.6
210.81172	0.6
245.93765	0.8
335.32397	0.7
381.91986	0.7
488.22266	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	489.1042
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.70369	0.4
59.01383	6.9
61.98824	0.5
63.02374	0.5
68.77561	0.4
69.44785	1.5
73.02945	0.5
85.02953	1.0
93.03468	1.1
107.01402	1.9
109.02924	0.5
119.03482	0.4
131.05022	0.5
132.02206	0.7
133.01395	0.5
135.00893	1.9
135.04558	0.7
143.05022	0.9
145.03012	0.4
147.04678	0.4
151.00357	2.2
157.06567	0.6
159.04518	1.2
161.02489	0.6
163.00397	2.0
164.01176	0.4
165.01915	0.5
169.06577	0.5
171.04576	0.5
179.03447	0.5
183.04462	0.8
184.05276	0.5
185.06085	2.3
187.04051	1.8
189.05537	0.9
195.04523	1.0
197.06172	0.9
199.04050	1.4
201.05852	0.5
211.03967	2.4
213.05569	1.0
227.03500	25.2
228.03986	1.0
229.05063	8.5
239.03549	1.7
241.05061	1.4
255.02998	55.3
256.03543	6.2
257.04507	5.4
267.03027	0.6
283.02563	1.0
284.03281	86.2
285.04047	100.0
286.04361	5.4
327.05038	0.5
329.14264	0.5
373.12820	1.0
447.09470	0.4
489.10416	35.1
490.10852	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83163	4.6
59.01380	50.1
64.64934	5.3
69.35528	21.7
71.01385	12.7
97.02949	11.1
98.99389	12.0
139.02563	5.1
141.00456	45.5
141.01697	27.4
149.96715	5.0
153.00424	6.6
155.02007	7.3
158.89337	5.7
159.54599	5.4
167.02046	12.5
171.87532	4.9
171.94823	7.1
183.01428	9.2
189.04071	10.1
201.02583	14.4
207.05183	18.8
209.03035	12.4
227.04202	10.1
243.03656	20.1
249.06291	5.9
267.07336	12.6
298.01477	13.4
311.06216	10.7
317.29752	6.0
356.03833	5.6
369.10449	75.2
370.10315	8.6
402.06180	6.9
429.12585	100.0
430.12735	7.8
490.04178	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	489.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71808	1.8
51.93621	1.8
56.49913	1.8
57.03434	5.7
59.01383	100.0
71.01385	48.7
71.86245	1.8
72.99323	4.1
73.02933	1.9
77.30405	1.8
83.01376	2.6
85.02964	20.4
87.00879	4.6
89.02456	71.3
96.96021	2.8
98.21805	3.8
101.02446	24.7
113.02463	19.0
119.03521	21.0
119.04980	2.3
128.49828	2.4
129.01897	1.9
131.03555	3.8
131.13696	2.1
135.04579	5.1
143.03528	6.4
147.04510	6.4
149.04501	2.3
149.06062	3.5
154.03246	2.1
161.04507	5.6
165.05548	7.1
179.03477	2.4
179.04172	1.6
179.05669	16.1
182.30113	1.8
183.06606	3.9
187.80763	1.9
217.72903	2.4
489.15781	3.0
490.49863	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70721	2.2
59.01385	67.5
61.98825	9.5
62.66528	2.3
67.31059	2.0
67.35578	2.1
68.16398	2.0
69.03461	3.4
69.60918	9.2
71.01385	5.5
71.05016	2.9
81.03433	2.2
83.01401	3.7
84.79308	2.1
84.95133	3.9
85.02972	5.1
98.00116	6.5
98.21987	4.9
99.00904	2.5
109.02899	2.8
113.02454	6.9
116.89698	2.3
119.05019	2.9
131.03525	2.5
135.04509	3.8
141.05586	6.9
146.08302	4.2
161.02470	2.5
179.03499	3.9
182.07613	2.3
195.94640	2.4
224.09538	2.1
231.13895	3.2
232.11072	2.4
233.11682	2.3
242.05919	2.6
247.13313	4.0
249.14946	12.0
261.14844	5.5
270.12509	2.5
277.12265	4.4
281.15158	2.3
283.13129	2.4
284.14066	3.7
285.14871	3.1
285.20676	2.6
286.12045	3.0
287.12875	4.4
299.16541	16.6
300.16638	3.2
301.14380	6.4
303.16129	5.2
314.11710	6.1
315.12497	3.0
315.15970	4.0
317.17624	3.5
325.14154	2.8
343.15503	14.2
344.15610	3.1
346.14191	5.1
357.17307	13.7
361.16547	12.8
363.14359	4.1
375.18118	100.0
376.18433	8.6
393.19165	18.7
403.17612	3.5
417.19144	3.3
435.20316	13.3
443.33157	2.5
447.12756	3.1
489.18994	13.5
489.26764	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	489.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76065	1.7
59.01389	2.8
63.54460	1.8
70.72517	2.2
73.30994	2.3
74.75114	2.0
74.82829	1.7
84.77235	1.6
97.02963	2.9
98.21840	2.2
121.10248	7.4
125.09712	3.3
153.83229	1.8
167.70100	1.9
185.11842	8.2
197.02118	2.4
211.13327	2.0
291.19684	100.0
292.20010	4.9
367.35574	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	489.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66698	1.9
59.01380	3.8
59.20777	1.9
61.98821	6.5
70.33005	4.6
80.91693	12.4
161.02443	10.5
165.12849	12.1
197.02214	6.6
247.20668	10.6
273.18787	5.8
291.19687	100.0
292.19977	7.0
454.84650	2.3
489.24719	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	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01385	100.0
60.01727	0.8
70.68283	0.7
71.01382	3.6
72.99323	0.5
73.02953	4.1
83.01409	1.1
85.02958	3.7
87.00865	0.6
89.02473	1.0
99.00929	0.5
101.02452	6.2
104.19308	0.4
111.00920	0.5
113.02469	2.1
119.03535	1.0
129.02031	0.6
131.03528	0.4
133.01483	0.5
134.03816	0.6
135.04587	0.6
137.27948	0.3
143.03537	0.5
149.04593	0.8
161.02574	0.5
161.04552	2.1
164.40582	0.3
179.03503	0.6
191.02078	0.5
192.81485	0.4
193.05086	0.7
197.04591	0.4
221.06862	0.8
387.20633	0.4
496.25562	0.4
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
59.01384	100.0
60.01714	1.0
71.01405	2.0
71.41978	0.6
73.02968	1.0
85.02978	1.2
89.02447	0.9
96.96031	0.8
101.02470	1.6
113.02492	0.9
115.00437	0.6
116.35443	0.4
133.01486	1.1
135.04546	0.7
142.38347	0.4
161.04640	0.8
179.03584	1.0
192.86191	0.4
239.01146	0.4
264.28543	0.4
330.37833	0.4
373.09665	0.7
387.20227	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17840	0.3
56.44246	0.4
59.01383	100.0
60.01722	0.9
69.10311	0.4
69.74472	1.4
71.01387	1.7
73.02956	1.6
81.68008	0.4
82.57359	0.4
85.02956	0.6
89.02489	0.5
101.02462	1.2
113.02515	0.7
130.36443	0.4
132.14493	0.4
161.04652	0.8
173.98445	0.4
176.74811	0.4
178.23180	0.4
189.12906	0.7
203.05688	1.0
207.13950	1.4
221.91351	0.4
225.14967	0.6
239.49254	0.4
320.65887	0.4
387.20508	0.8
450.06332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86293	0.3
57.07662	0.3
59.01384	100.0
60.01718	0.6
61.98837	4.6
65.03297	0.3
69.28560	1.0
69.28970	0.6
71.01393	2.0
73.02967	0.8
83.01402	0.4
85.02961	1.7
87.00851	0.3
89.02433	1.7
90.09544	0.3
96.76208	0.3
101.02467	1.4
113.02489	1.1
133.03029	0.4
135.04547	1.4
161.02502	1.4
179.03517	1.8
180.03835	0.5
191.02025	0.6
217.16934	0.3
267.16223	0.4
429.21417	0.5
469.46243	0.4
488.66867	0.4
489.17157	0.5
489.23853	0.8
489.30884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
59.01384	100.0
60.01717	0.9
61.60032	0.5
61.98836	4.2
70.04206	0.5
70.86468	0.8
71.01395	2.1
72.99323	0.5
73.02972	1.7
85.02959	4.7
89.02462	1.1
101.02478	1.5
111.00966	0.6
113.02512	0.6
116.07204	0.5
119.03521	0.7
120.99628	0.4
122.88335	0.4
127.42784	0.5
129.01970	0.6
133.02966	0.9
135.04532	1.1
141.14418	0.5
147.03035	0.5
161.02513	2.2
179.03589	1.4
191.02058	0.9
193.05116	0.8
378.99359	0.5
489.23380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01383	100.0
60.01727	1.0
71.01398	1.2
74.99084	0.8
85.02959	6.9
89.02449	0.5
93.00158	0.8
94.99846	0.5
101.02466	1.0
106.16391	0.5
111.00909	0.9
117.03819	1.7
119.03512	0.9
123.04567	0.6
129.01987	2.4
134.03793	0.6
135.04605	0.7
147.03043	0.8
147.04546	1.3
161.02548	0.6
164.63110	0.5
167.03557	0.8
168.29517	0.4
171.24770	0.5
173.00980	0.6
179.03561	0.8
191.02055	1.0
237.08131	1.9
238.08325	1.1
239.07948	1.0
292.56262	0.5
311.96606	0.5
387.20328	0.5
489.23798	2.9
489.30328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
59.01368	5.7
61.71989	1.4
61.98829	3.1
66.03460	1.4
71.01391	2.6
71.05028	6.8
73.02945	1.8
80.05058	4.6
81.03460	11.5
82.02989	12.9
83.01405	7.1
83.05022	5.3
86.02473	3.2
96.04571	10.3
98.02486	42.9
98.06123	9.8
98.99092	1.6
99.00880	2.0
101.02411	1.6
102.98635	2.0
108.04565	20.3
117.02845	1.2
117.06854	1.5
119.96193	1.3
120.01281	8.8
124.04044	22.6
126.02009	1.5
126.05605	12.6
127.00381	6.1
128.03554	5.0
131.05003	1.9
142.03334	10.2
142.05083	4.2
147.04524	2.7
152.03540	29.8
154.30907	1.3
159.04529	1.8
168.03024	18.1
170.04614	12.1
171.07790	2.6
186.02324	14.0
195.08197	2.4
196.02521	100.0
197.02847	2.7
202.01807	45.5
213.09248	3.3
214.03584	11.6
229.08644	1.5
230.01291	22.9
241.08693	39.3
242.09097	1.7
248.02336	34.7
249.02570	1.5
249.05595	1.9
283.34717	1.7
290.39645	1.7
405.30222	1.6
449.27527	2.1
472.10699	5.9
490.11734	2.3
491.28418	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	490.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12850	0.9
55.01878	2.8
57.97563	1.2
59.01376	5.8
61.98835	19.3
62.08601	1.0
66.03474	2.6
69.03403	1.0
71.01378	3.5
71.05026	6.2
71.41313	1.1
73.01173	1.6
73.02960	1.3
80.05070	6.5
81.03461	12.5
81.59543	1.2
82.02990	12.3
82.06612	1.0
83.01401	8.1
83.05039	6.4
85.02959	2.3
86.02491	3.6
88.04058	1.1
93.03491	1.7
96.04561	13.6
98.02486	52.3
98.06139	9.6
99.00926	1.7
102.98618	3.1
108.04575	30.0
112.63988	1.2
120.01306	6.7
124.04058	23.7
125.04460	1.5
126.02003	1.6
126.05644	14.7
127.00372	10.7
131.04994	1.9
142.03328	11.6
142.05099	4.6
147.04549	1.2
152.03545	34.7
158.02626	1.2
159.04523	1.5
161.02457	1.5
168.03040	20.9
170.04630	16.2
179.03442	1.3
186.02299	14.1
196.02527	100.0
197.02884	2.9
202.01810	48.9
203.02130	1.9
213.09267	1.4
214.03590	12.9
229.08713	2.8
230.01283	27.0
241.08719	43.8
242.09067	2.2
248.02370	36.9
293.13785	1.2
321.88409	1.2
472.10538	4.5
490.11853	3.1
490.27197	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	490.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.9
59.05079	4.8
61.98833	100.0
71.01379	8.4
79.65687	5.2
81.03458	7.4
82.02982	8.1
83.05034	6.9
85.02953	7.4
89.02437	7.6
93.89848	4.9
96.04542	6.6
98.02489	31.7
98.06149	6.0
108.04525	14.6
118.03034	5.1
120.01258	6.9
124.04056	11.8
126.05620	16.0
127.00256	5.1
130.06888	5.5
133.02942	7.5
137.40921	5.9
146.68001	6.6
152.03537	18.1
161.02435	11.3
168.03110	7.9
170.04581	11.3
186.02322	13.5
194.22847	5.3
196.02530	66.1
202.01807	25.0
210.49570	5.2
214.03514	6.9
230.01256	21.5
241.08754	17.5
248.02353	27.0
450.82477	6.4
472.10504	9.1
490.27463	12.4
491.28278	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	490.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05817	0.3
58.02975	0.7
59.01373	2.1
61.98834	100.0
68.20603	0.3
69.36164	1.4
70.15616	0.3
71.01385	1.8
75.90867	0.3
80.90404	0.3
85.02955	0.4
86.22752	0.3
87.88353	0.3
88.04063	2.6
98.59475	0.3
99.05676	1.2
101.02443	0.3
114.01979	14.1
116.05092	0.7
130.06667	1.3
133.03000	0.4
154.05435	1.3
154.08759	0.7
156.06985	0.4
157.07706	3.5
161.02504	0.6
169.09801	0.6
179.03612	0.3
212.14140	1.3
235.12544	0.6
254.15164	1.1
270.16153	2.8
279.11655	0.5
299.09073	0.3
312.17184	6.2
338.15137	8.3
339.15665	0.9
363.08923	0.3
375.20316	0.8
383.21301	0.5
427.19873	14.3
428.20126	1.5
489.62360	0.4
490.27228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2449
Annotation	Majusine C
Peak:m/z	Relative Intensity
52.17628	0.7
59.01386	61.3
61.98828	0.8
62.09341	0.7
67.01897	13.8
70.96912	1.1
71.01393	1.9
71.05026	7.7
72.00926	1.0
75.65827	0.7
76.05714	1.0
78.95908	1.0
81.03449	1.2
85.06593	3.8
91.63110	0.9
93.03471	2.3
95.05035	25.3
96.05379	0.8
97.02894	0.7
97.06600	3.8
99.08147	1.1
108.04579	0.9
109.06591	3.4
112.07619	1.4
115.00351	1.4
121.02954	1.1
122.03770	0.9
123.08189	3.7
124.03828	0.8
124.11334	1.0
125.09730	0.9
133.02962	2.6
135.04547	3.3
135.08168	1.6
136.05310	5.5
136.07675	1.4
137.09729	1.5
139.04027	1.1
148.11392	1.1
149.09755	2.1
150.06841	2.0
151.07652	39.3
151.11301	1.6
152.07999	1.3
152.10831	1.1
161.02464	12.5
162.12894	1.7
163.07675	1.1
164.06979	0.9
165.09204	10.4
166.12355	2.3
173.13361	1.3
175.07686	0.9
177.09224	4.1
179.03452	0.8
179.10767	3.2
180.13942	9.7
189.11575	1.3
190.12299	0.8
204.13889	2.2
207.13884	10.1
213.15004	1.3
215.10770	0.8
218.26259	0.8
222.14975	1.3
231.10364	1.3
234.14951	1.2
284.10580	1.6
287.09265	1.3
288.16107	3.2
299.12784	2.3
300.13483	1.7
308.16583	0.9
313.18039	3.6
315.19699	1.0
317.13925	6.0
321.01984	0.9
329.17633	9.1
375.18216	9.5
386.19748	36.4
387.20078	2.2
414.45187	1.0
430.22360	38.9
431.22784	3.4
465.53671	0.8
490.24530	100.0
491.24857	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	490.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01895	1.0
55.01877	0.5
55.62039	0.5
59.01384	19.9
61.98826	1.2
69.05316	2.3
69.05745	2.1
71.01382	1.1
71.05022	1.0
81.02200	2.5
82.02989	86.4
83.03336	0.8
85.02958	2.7
94.02991	70.6
95.03326	0.9
95.05048	1.1
96.40514	0.7
97.06610	0.9
101.02438	0.7
107.30266	0.5
108.04578	0.8
122.06112	0.8
123.08173	1.1
124.04128	0.9
124.07669	3.2
125.09733	0.8
133.01450	0.6
150.05618	9.8
151.07677	1.6
159.74162	0.6
165.09247	1.8
168.06676	100.0
169.07071	2.7
173.06754	0.5
176.08542	0.6
180.06677	74.4
181.07054	2.7
191.10738	0.7
193.08702	1.0
196.06305	0.7
196.09834	0.8
204.07924	1.5
207.14061	0.8
211.13417	8.0
215.10939	1.7
216.11572	1.3
219.10265	4.9
220.10857	1.1
231.13908	10.9
234.12659	3.6
237.11281	1.7
249.14935	8.9
253.09340	1.2
261.14975	2.1
291.16058	5.2
406.23621	0.6
412.21365	5.2
413.21893	0.7
430.22308	6.7
431.22742	0.9
447.22549	0.6
472.23480	0.7
490.24771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2452
Annotation	Majusine C
Peak:m/z	Relative Intensity
51.00282	1.1
58.45548	1.1
59.01383	10.4
61.98827	2.0
66.03519	1.5
71.01372	5.4
73.02943	1.5
82.02993	9.6
82.74741	1.0
83.01428	1.8
84.04546	2.7
85.02960	5.8
94.03001	6.4
95.03767	3.1
96.04568	70.9
97.04952	1.7
97.06584	2.0
100.69047	1.1
101.02448	2.8
102.05619	12.3
108.04543	2.5
108.97251	1.1
113.02486	1.2
115.00372	4.5
122.06136	1.8
122.82598	1.3
122.88058	1.1
124.07759	1.4
125.09713	3.0
133.02974	3.3
134.06175	3.1
135.04512	3.5
138.09241	5.0
147.03185	1.4
148.07660	3.3
150.05620	2.9
151.11269	1.5
161.02457	3.7
162.05615	11.6
163.07645	1.2
164.07178	39.4
164.08557	2.2
166.08704	2.7
168.06694	3.3
176.07227	1.6
177.02007	1.2
178.08699	2.7
179.03424	2.3
182.08240	100.0
183.08527	3.9
183.10178	1.3
213.09193	1.7
213.12794	2.3
228.10463	2.5
231.13963	12.6
232.84093	1.3
234.11375	4.6
248.14156	4.4
252.12402	1.3
259.13452	1.5
282.08096	1.2
326.17667	7.4
375.27509	31.8
382.16061	1.3
394.20258	28.1
395.20352	2.6
400.17526	1.5
412.21347	76.9
413.21667	6.9
415.20078	7.2
430.22440	13.3
431.22961	1.5
454.22549	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	490.294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69261	0.3
53.35144	0.3
62.96405	0.4
69.12820	1.5
69.13219	0.8
72.23528	0.4
78.95911	52.3
86.52449	0.3
96.96964	2.5
122.00120	1.2
139.67416	0.4
140.01196	5.3
152.99588	6.7
166.02795	0.4
171.00650	6.0
175.37836	0.4
196.03815	10.9
196.05562	0.7
197.04005	0.4
214.04929	2.6
219.21236	0.4
259.84106	0.4
293.24893	100.0
294.25262	7.0
338.33923	0.4
342.13217	0.4
365.46994	0.4
378.84818	0.4
490.29462	42.6
491.29709	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	490.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92068	0.3
69.87425	0.5
69.87808	0.5
78.95906	9.9
82.92013	0.3
96.96951	0.4
101.03294	0.3
140.01205	2.4
147.21420	0.2
152.99611	1.7
171.00652	1.1
172.33971	0.3
196.03807	1.2
201.77301	0.3
204.57306	0.3
212.61684	0.2
214.04842	2.5
230.78087	0.3
293.24878	100.0
294.25223	7.5
326.95413	0.3
332.40277	0.3
369.21512	0.3
490.22321	0.6
490.29456	11.5
491.29871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.8
59.01382	8.4
61.98829	5.2
69.66135	1.6
71.01385	5.4
73.02961	1.6
82.02997	4.8
83.01358	1.3
85.02946	5.2
93.82957	0.9
94.03002	5.0
95.05033	1.9
97.06618	1.3
98.21889	0.9
99.04465	0.8
101.02454	3.3
105.03487	0.9
108.02181	20.9
109.02925	1.1
113.02445	2.9
117.03456	1.3
118.98117	1.1
119.05041	13.0
121.02993	5.1
123.00881	2.0
123.04536	8.5
125.02457	1.1
128.07231	1.3
132.02158	1.4
133.02968	35.3
134.03697	2.8
135.04543	34.4
137.02492	1.8
145.02980	6.1
149.06049	1.6
151.07642	3.1
152.01164	41.6
153.01627	1.5
153.05571	1.7
161.02457	100.0
162.02780	3.7
163.04025	17.9
166.99776	1.1
167.03503	39.6
168.00674	1.9
168.03857	1.6
175.04034	2.4
177.05586	4.9
179.03500	21.5
182.02202	2.9
189.05429	1.0
197.04532	13.6
203.03574	1.8
203.94218	1.1
211.10870	21.2
211.12767	1.6
212.11111	1.4
219.10164	1.8
221.04581	8.5
223.10884	16.2
231.13876	3.2
234.12602	1.8
239.14063	1.8
249.14996	3.7
251.05667	0.9
263.05649	1.9
271.02304	1.1
271.31290	0.8
280.05939	1.4
323.07733	95.0
324.08139	6.3
327.07037	1.7
347.16766	1.4
389.18179	3.2
473.26556	2.1
474.21393	1.1
491.11981	31.0
491.27560	9.6
492.12204	3.9
492.22565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01383	5.3
61.98817	1.5
71.01399	3.4
73.02941	1.0
81.03463	1.3
85.02961	3.7
93.03460	0.8
95.01381	1.0
99.00857	0.9
101.02441	2.0
108.02187	43.0
109.02964	49.9
110.03310	1.4
113.02469	1.3
114.01992	0.8
114.94650	0.7
115.00432	0.8
117.03483	0.8
119.05059	1.2
121.02947	1.3
123.00865	1.1
123.04449	1.2
132.02180	4.4
133.02979	5.2
134.03778	8.4
135.00827	0.8
135.04578	6.0
149.06090	1.2
152.01170	56.3
153.01956	44.4
154.02213	1.0
160.01680	25.1
161.02473	20.2
162.02859	0.7
163.03976	3.2
165.01900	0.7
167.03447	1.2
175.04022	22.4
175.52231	0.7
177.05650	1.2
179.03528	4.3
193.05103	4.8
194.06224	0.7
197.04541	2.8
213.58105	0.7
221.04494	0.8
227.03482	0.7
281.06705	0.9
315.07269	27.8
316.07758	1.2
323.07721	3.8
337.09384	1.1
447.12787	1.4
459.09192	1.1
491.11942	100.0
492.12280	10.6
492.23291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03769	1.0
52.40679	1.2
55.01861	1.2
57.03464	1.0
59.01384	34.8
71.01387	21.2
73.02944	2.4
83.01382	1.8
83.32420	1.1
85.02940	6.4
87.37625	1.1
89.02451	23.5
95.01390	1.5
101.02456	12.9
108.02191	18.5
113.02438	10.0
119.03524	10.2
123.04536	11.2
143.03500	2.4
151.00368	1.5
152.01157	51.2
153.01540	1.4
161.04588	6.6
166.02727	2.0
167.03500	100.0
168.03784	3.0
179.05638	7.9
197.04556	3.0
209.04639	5.3
212.74394	1.2
239.05617	91.0
240.05945	3.2
431.15796	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98648	0.5
58.02980	1.3
58.55271	0.5
59.01389	3.7
60.46283	0.5
61.98826	2.4
65.52109	0.5
69.20272	3.3
71.01386	0.6
73.02988	0.5
74.02485	2.6
81.03473	1.1
82.03013	1.5
84.04576	1.3
84.30081	0.5
85.02959	1.2
86.02487	11.5
88.04044	0.6
89.02459	0.5
98.02486	0.9
102.98607	1.5
108.04549	0.6
109.07732	0.6
113.02531	0.6
114.50940	0.5
120.01260	11.6
126.05630	0.8
127.05191	3.0
127.08777	10.7
128.03551	100.0
129.03897	1.5
134.19295	0.5
153.06712	5.4
161.02400	0.7
171.07771	31.8
172.08153	0.7
174.51538	0.6
179.04680	0.7
196.02582	1.3
197.05803	0.7
213.03444	0.7
215.06723	4.3
229.36168	0.6
231.04419	7.4
239.11739	0.6
243.10435	0.8
249.05531	40.5
303.02515	0.5
324.58878	0.6
373.00366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97640	1.3
55.01878	8.2
57.03438	6.1
58.00582	1.5
59.01384	90.6
66.49706	1.5
69.03461	24.1
71.01386	91.5
72.99296	3.0
73.02953	39.6
73.03365	2.0
81.03454	2.9
82.10620	1.5
83.01398	18.2
85.02959	52.3
87.00894	7.8
89.02453	55.3
91.08303	1.4
95.01395	10.8
97.02960	13.6
99.00896	14.8
100.34731	1.3
101.02450	100.0
113.02460	67.7
119.03521	22.3
121.06595	2.3
123.04534	11.2
125.02449	4.5
127.00378	2.2
131.03491	2.9
137.02467	2.4
143.03517	20.3
145.01443	13.1
149.06047	3.9
155.03494	2.5
159.02962	6.3
161.04564	55.7
167.03603	1.5
167.07144	20.5
179.05620	13.3
181.01404	2.0
197.04581	3.1
201.93062	1.5
221.06734	3.5
245.06778	2.1
323.09857	58.2
324.10257	2.2
329.12491	10.4
345.15622	4.2
491.17731	63.1
492.18332	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88475	0.6
54.84946	0.6
57.03461	0.8
59.01386	46.9
69.03471	0.8
71.01389	23.0
72.99322	3.7
73.02953	2.5
76.35542	0.6
83.01414	0.7
85.02952	2.8
87.00897	1.5
89.02465	2.8
95.64413	0.6
99.00904	1.1
101.02431	2.6
101.34181	0.6
113.02484	2.1
115.00386	51.2
116.00746	0.9
119.05031	1.2
127.00323	0.6
133.01448	100.0
134.01805	1.5
138.24542	0.6
161.02467	1.2
161.04581	1.3
196.02603	0.8
199.13457	0.8
208.35155	0.5
211.13425	1.2
212.13728	0.9
220.71764	0.6
282.57294	0.5
289.16559	4.3
331.17535	1.2
375.27518	9.5
406.37863	0.6
406.99832	0.8
448.22690	0.8
491.28580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37720	0.2
55.01877	0.4
57.03461	0.4
58.00594	0.6
59.01386	32.4
63.10218	0.2
69.56142	1.0
71.01388	24.2
72.99316	0.5
73.02953	0.9
77.76893	0.2
83.01393	1.0
85.02962	3.2
87.00908	0.7
89.02452	12.5
91.02777	0.2
95.01431	1.2
98.11534	0.3
98.22578	0.4
99.00919	0.4
101.02452	10.7
113.01702	0.1
113.02466	5.5
115.00380	8.3
119.03518	4.1
121.02933	0.3
133.01469	0.9
135.04543	0.3
145.03026	0.3
153.05649	0.2
161.02483	0.4
177.12906	0.3
183.13899	0.7
195.13916	6.9
196.14204	0.4
197.04576	0.8
213.14978	3.5
315.07565	0.3
346.43015	0.2
357.19031	0.4
375.20258	100.0
376.20572	5.9
402.50446	0.3
403.97195	0.3
491.21478	0.8
491.28589	0.5
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
51.77938	0.7
52.42568	0.6
55.01885	1.4
57.03465	0.8
59.01390	11.1
70.45628	1.2
71.01022	1.3
71.01389	15.6
73.02944	1.9
77.28874	0.7
78.85326	0.6
83.01398	1.8
85.02962	3.0
87.00877	0.9
89.02455	2.9
99.00850	1.0
101.02460	5.6
113.02466	2.0
115.00372	7.0
120.88912	0.7
161.69536	0.7
194.47058	0.7
195.13959	2.9
197.15512	4.1
213.14963	16.7
214.15396	0.9
319.22366	0.7
357.19135	1.2
375.20261	100.0
376.20752	4.7
384.87997	0.8
491.21136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
61.98841	0.3
71.01410	0.6
72.53794	0.3
81.30257	0.2
82.95447	1.0
90.68862	0.2
99.00900	0.6
122.45194	0.2
161.01010	0.6
161.02461	0.6
162.02840	0.3
188.04823	0.5
189.05609	0.4
198.55290	0.3
241.16154	0.3
255.10359	0.9
257.15396	0.5
267.10263	0.6
269.11789	1.4
270.12686	0.7
281.11694	0.4
283.13489	0.4
285.14987	22.1
285.58081	0.3
286.15198	1.9
311.13351	0.2
311.16568	6.4
312.17053	0.5
313.14502	1.2
314.14969	0.3
327.15891	1.4
328.16641	1.0
328.29984	0.3
329.17606	100.0
330.17957	8.4
484.97000	0.3
491.22888	15.0
492.23212	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	491.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80457	1.0
55.01870	1.2
55.73501	1.0
58.40974	1.0
58.59846	1.0
59.01387	7.8
61.98812	2.3
71.01368	1.6
71.05013	4.0
73.02947	1.9
82.02990	86.7
83.03319	1.3
83.05028	1.3
84.04550	2.9
85.02953	3.4
86.08797	1.1
94.02992	40.3
95.05058	8.6
97.06596	9.1
98.22643	4.2
99.88958	1.1
101.02458	2.3
109.06616	1.7
110.06125	1.7
110.30714	1.0
111.04501	1.4
119.05013	5.0
121.02975	2.5
122.03765	1.7
129.90152	1.0
135.04536	1.8
137.09790	1.8
145.03018	1.3
148.04016	2.0
149.07210	5.3
149.09720	2.0
150.05635	24.3
150.06831	2.5
151.07666	14.3
153.05609	2.5
163.03987	4.3
165.09230	4.4
167.08275	44.7
167.62460	1.1
168.08571	2.4
177.09171	1.6
179.08289	6.7
183.10269	1.3
191.10814	1.4
193.06209	6.7
197.04544	8.6
202.09824	1.4
207.13887	2.3
211.07253	100.0
212.07632	3.9
215.10789	2.2
216.11456	1.3
219.10277	11.1
220.11047	3.0
223.07251	47.2
224.07693	1.2
231.13867	8.9
233.11867	1.5
234.12627	8.5
249.14967	16.2
297.05750	1.2
473.23062	11.6
491.24054	97.4
491.30511	5.9
492.24512	8.5
498.54004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73501	6.6
52.05186	6.2
52.69109	6.8
57.66661	7.0
59.01376	12.7
61.98827	7.2
64.63342	6.9
67.38278	7.1
69.01775	6.1
70.46516	7.7
70.84454	9.5
72.86891	6.9
78.95908	24.1
152.99567	26.6
170.57111	6.8
184.40588	6.6
270.02878	6.5
293.21295	100.0
491.24329	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	491.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19650	3.3
69.20057	5.9
86.44958	1.7
88.03486	2.0
95.05048	1.6
125.09737	2.8
125.87340	2.3
171.96478	1.7
185.11859	4.8
197.02396	2.7
211.54463	1.9
227.03775	1.4
232.81921	1.6
263.29834	1.5
293.21265	100.0
294.21597	7.1
309.10458	2.3
456.13361	2.1
458.96753	1.6
491.24792	2.4
492.26498	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	492.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66101	1.3
55.01883	3.4
57.03444	2.1
57.97551	1.4
59.01384	54.3
60.01722	2.7
61.98834	21.9
63.99269	2.6
66.89426	1.1
69.03136	3.3
69.03539	4.0
71.01390	8.9
71.05021	4.1
73.02941	9.1
80.05044	5.1
81.03459	3.8
82.03000	14.3
83.01375	8.3
83.05033	12.3
85.02962	5.9
86.02477	4.0
89.02438	3.6
90.02664	1.1
96.04556	6.8
98.02480	39.5
98.06114	8.3
99.00877	2.5
101.02431	8.5
107.05036	3.2
108.04565	27.6
113.02449	5.2
114.02009	2.6
116.92855	3.0
117.92870	2.2
119.03504	1.3
120.01239	7.7
121.06611	2.4
123.04552	2.5
124.04057	19.9
126.05626	9.9
127.00364	3.2
133.02995	2.1
133.06586	1.7
135.04535	1.8
142.03307	10.3
142.05099	3.6
143.03490	1.3
147.04555	2.1
147.82608	1.3
149.06064	4.4
152.03548	31.6
153.09227	2.0
157.27222	1.2
161.02454	4.5
161.04587	3.0
161.06035	2.9
161.09810	1.2
168.03033	19.0
170.04610	11.3
179.03467	1.5
186.02269	10.4
196.02522	100.0
197.02913	2.0
201.09158	1.4
202.01807	9.5
209.15558	1.4
214.03578	9.7
215.10704	4.7
225.09271	1.7
230.01311	3.7
231.10283	12.7
243.07921	1.5
243.10275	28.1
244.10648	2.0
248.02470	5.3
248.43813	1.2
357.03525	1.3
371.20743	2.0
372.20996	2.3
375.20212	1.5
376.20529	3.4
429.21307	1.2
432.23306	2.2
451.21552	1.2
474.12222	8.7
492.13538	5.8
492.64230	3.3
493.14807	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	492.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.58015	0.9
59.01382	1.7
63.90316	0.8
70.08544	1.4
70.08893	2.2
71.05025	3.5
74.33001	0.9
75.50115	0.8
77.87814	0.9
80.05065	3.9
81.03465	1.1
82.02979	7.7
83.01403	4.4
83.05032	11.5
85.37578	0.9
86.02493	3.7
96.04565	6.3
98.02480	34.7
98.06137	7.8
99.02837	1.0
107.05036	2.7
108.04563	15.9
109.03069	0.9
113.06066	1.4
117.31130	0.9
124.04052	15.4
126.05627	11.0
127.00378	3.3
131.05026	4.8
135.04439	1.1
142.05141	6.6
142.17595	0.9
147.04521	1.3
151.73662	0.9
152.03546	20.8
153.73782	0.9
161.06091	1.8
163.02223	8.1
168.03033	15.7
169.10248	6.1
170.04605	35.5
183.08205	1.8
187.11308	2.6
188.04739	2.2
195.08055	1.0
196.02524	100.0
197.02864	3.0
197.09720	23.4
198.10074	1.3
199.11354	0.9
210.06903	4.2
213.09204	2.2
214.03583	42.1
215.10718	5.2
219.04871	1.5
225.09222	81.9
226.09485	5.1
243.10281	35.5
244.10809	1.5
259.07974	4.9
277.09058	15.1
345.94739	1.0
375.96548	1.1
474.12326	1.8
492.13431	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	492.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
59.01382	5.5
60.17063	1.0
61.98842	7.5
66.03477	1.0
71.01383	1.9
71.05019	5.0
74.02470	1.3
77.95988	0.9
80.05065	4.1
81.03440	2.0
82.02981	10.3
83.01407	4.3
83.05028	8.9
85.02972	1.9
86.02483	3.9
87.02757	1.2
89.02477	1.1
91.45361	1.0
96.04563	6.8
98.02484	33.7
98.06139	5.3
99.00877	1.2
101.02460	1.9
107.05006	2.6
108.04567	18.0
109.06641	1.1
113.02438	1.1
115.02250	3.1
120.01291	2.7
124.04066	17.0
126.05649	7.9
127.00379	3.5
127.08819	2.0
128.03546	10.7
133.06621	2.8
135.04517	1.7
142.03334	8.4
142.05046	4.8
143.01749	6.8
147.04561	2.2
149.06163	1.2
152.02310	1.4
152.03535	26.6
161.02490	2.3
161.06081	3.2
166.51469	0.9
168.03044	16.3
169.10240	4.7
170.04619	13.9
171.04991	1.2
171.07755	10.6
183.08147	1.1
186.02260	5.5
188.04822	1.2
196.02533	100.0
197.02855	2.8
197.09738	11.9
202.01828	4.0
210.06891	2.2
214.03610	14.0
215.06676	2.1
215.10780	4.9
225.09238	44.1
226.09555	1.8
231.10320	3.5
243.10278	30.8
248.02374	1.7
255.11516	1.0
277.09094	7.4
287.78867	1.0
349.79947	1.0
364.12039	1.7
474.12015	5.6
491.29022	2.0
492.13910	4.8
492.29025	1.3
495.59052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13292	0.3
55.78482	0.3
59.01383	2.6
61.98835	100.0
67.75111	0.3
69.26615	1.7
71.01391	1.1
85.02966	2.0
85.03412	0.3
89.02467	1.3
91.59824	0.3
98.02496	0.4
101.02481	0.4
102.80627	0.4
111.42838	0.3
113.02473	0.7
119.03519	0.5
133.02953	0.6
154.50192	0.3
161.02513	0.7
161.13397	0.7
168.83302	0.4
179.05667	0.4
205.12341	0.5
247.01443	0.3
249.11337	1.0
429.17432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24697	30.7
61.98836	40.8
70.28081	35.2
91.61434	35.1
115.21932	32.3
148.88806	34.0
166.55151	33.6
214.26947	37.2
245.11842	100.0
245.80269	34.0
248.17015	31.3
268.78259	36.8
323.46783	36.8
345.16190	32.6
350.09058	38.1
352.83496	37.8
465.85083	34.7
472.00256	37.9
483.02243	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41394	1.1
55.43551	1.0
59.01386	67.6
59.08609	1.1
60.99319	7.6
61.98822	3.4
66.03493	10.8
71.01381	2.0
71.05035	1.9
80.05065	25.6
81.02194	1.9
82.02986	10.4
85.02967	1.8
88.68015	0.9
94.03000	11.6
95.05045	2.4
96.04557	22.6
97.06598	2.9
103.02680	1.0
108.04569	100.0
109.04893	2.6
109.06588	1.3
120.04552	5.6
123.08193	5.2
124.04056	1.5
126.05606	8.9
126.90392	1.5
128.03546	1.4
128.90198	2.3
135.04559	1.8
135.08183	1.9
136.07683	2.9
140.03558	42.0
142.16452	1.1
143.04678	1.1
151.07660	5.1
152.03546	25.7
152.04695	1.7
153.03882	1.1
161.02449	3.4
162.02901	1.0
165.09200	2.5
170.04610	71.5
171.05049	1.5
176.08620	1.1
177.09213	1.5
179.03593	1.1
182.04584	19.4
196.02577	1.6
204.07986	2.8
207.06874	1.3
207.13916	3.1
215.10806	2.5
217.08618	1.4
219.04834	2.1
219.10306	8.2
220.11008	1.2
221.11852	2.2
231.13905	12.0
233.11621	1.1
234.12672	5.4
237.11336	2.9
247.13417	2.1
249.12563	1.8
249.14980	17.0
261.14923	1.4
272.08881	2.3
279.16037	1.7
291.16174	3.0
300.22354	1.1
341.16351	2.1
358.16632	1.4
370.20273	7.7
402.19272	1.9
414.19263	1.5
432.20316	3.3
450.21802	1.8
462.21262	3.8
474.21530	3.9
492.22501	91.9
493.22751	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	492.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96552	0.5
51.77626	0.5
52.01901	0.7
59.01387	24.9
69.39819	2.7
71.05025	2.0
81.02210	2.4
82.02990	69.5
83.03353	0.7
84.72502	0.5
85.02959	2.3
94.02993	51.3
95.03337	0.8
97.06610	1.4
98.22715	0.5
101.02404	0.6
109.06638	0.6
119.20152	0.5
124.07695	3.7
127.87047	1.6
133.01401	0.9
136.04015	0.8
137.09766	1.1
141.09273	2.6
150.05623	12.8
153.12856	1.3
159.86104	0.7
162.83905	0.9
167.05856	0.9
168.06674	100.0
169.06996	3.0
177.12891	4.5
180.06677	62.8
181.06973	1.7
193.12332	1.3
195.13846	0.7
196.59305	0.7
222.60768	0.6
233.15483	2.1
239.12932	1.3
251.16548	7.0
292.16132	0.6
293.17636	1.6
308.14966	1.3
358.20395	2.8
395.85748	0.6
402.19226	1.2
414.22943	7.0
418.05008	1.5
420.04550	1.2
432.23868	7.3
433.24243	0.9
450.25024	2.5
460.03967	0.6
474.24753	1.9
492.26089	16.8
493.26364	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	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96623	1.4
55.94949	1.5
59.01383	22.2
69.35544	6.1
71.01389	10.5
71.22471	1.5
73.02946	2.1
78.15578	1.4
81.24163	1.6
81.38052	1.5
85.02935	5.1
87.00883	100.0
88.00398	6.9
89.02448	12.0
93.03449	1.4
98.22611	3.4
99.00877	4.2
99.13429	1.7
101.02455	4.9
106.73199	2.0
113.02450	4.3
119.03497	5.5
119.05032	2.8
121.02958	5.3
123.04455	1.7
139.03986	2.6
143.03453	1.8
165.05602	14.4
179.05666	6.5
183.06633	4.3
207.06419	2.7
245.08034	1.8
252.64493	1.5
268.37088	1.5
299.94290	1.6
333.48663	1.7
345.11929	7.7
485.34030	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	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32758	4.4
59.01370	16.9
66.52377	4.2
69.83797	11.0
69.84116	5.1
71.01391	100.0
72.99320	29.8
83.78387	4.3
86.38165	4.9
87.00880	36.1
98.21860	5.9
101.38087	4.6
105.09518	4.4
115.00403	30.8
116.92871	6.8
129.01971	7.7
137.70325	5.4
147.02994	83.0
168.99997	5.4
209.08311	4.8
433.07611	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	493.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41106	1.0
51.98889	0.9
59.01381	10.5
61.98837	6.1
66.03468	1.6
69.09454	1.0
69.29678	6.6
71.01376	3.7
71.05000	1.5
74.02477	2.0
76.32623	1.0
78.91868	1.2
81.03479	2.4
82.02998	3.7
82.95437	1.6
83.01397	2.5
83.05026	1.9
83.15937	1.1
84.04543	1.8
85.02941	2.3
86.02488	19.6
89.02457	2.0
92.70129	1.1
96.04538	2.2
98.02480	7.1
98.06142	1.9
99.19149	1.4
107.05016	5.4
108.04564	4.9
109.02943	1.5
113.06077	1.3
124.04050	3.6
126.05632	1.9
127.05135	1.7
127.08810	10.7
128.03555	80.0
131.05040	4.8
133.06581	2.1
135.04486	1.9
135.08153	1.4
142.03351	1.3
142.05177	1.3
147.04514	4.7
152.03555	6.7
153.06705	4.2
157.06580	1.3
161.02356	1.4
161.06096	4.4
168.03003	3.1
169.10262	9.4
170.04591	2.4
171.07762	66.1
179.03387	1.2
183.08134	2.7
187.11330	2.8
188.04800	3.6
196.02524	21.4
197.02821	4.7
197.05734	2.0
197.09731	29.9
198.10088	1.5
202.01756	3.0
209.09866	1.4
210.06912	5.6
213.09274	1.3
214.03589	1.7
215.06682	13.5
215.10764	7.8
217.12392	1.7
225.09222	100.0
226.09555	7.8
227.10789	7.2
228.09962	1.2
230.01097	1.7
243.10271	61.5
244.10471	5.4
245.11819	4.0
248.02400	2.4
277.09052	15.2
289.10971	1.4
291.35410	1.1
364.12329	3.5
449.21832	1.4
476.14157	2.4
493.16495	4.4
493.29858	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	493.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
59.90373	0.5
61.98814	0.5
65.96346	0.5
69.29690	2.8
71.01388	0.7
73.65823	0.5
74.02475	0.7
75.22940	0.5
80.98989	0.5
81.03445	1.3
82.02982	2.4
83.01384	1.0
83.05026	0.8
84.04522	0.8
85.02966	0.7
86.02481	12.1
88.04046	0.7
92.13338	0.5
95.05031	0.7
96.04542	1.3
98.02473	4.1
98.06100	0.7
107.05046	2.7
108.04556	2.0
113.02499	0.6
113.06090	1.8
118.06656	0.7
122.92132	0.6
124.04041	1.9
125.14270	0.6
126.05618	1.1
127.05164	1.2
127.08779	5.7
128.03552	43.0
131.05028	3.7
133.06636	1.1
135.04482	1.3
147.04521	2.4
152.03510	2.0
153.06685	1.3
161.02408	0.6
161.06071	1.2
163.02225	9.0
168.03004	1.9
169.10272	7.3
170.04657	1.7
171.07771	39.1
172.08025	1.3
179.03461	0.6
183.08133	2.5
187.11330	3.5
188.04814	3.3
195.08174	1.1
196.02492	7.2
196.08792	0.6
197.05734	1.4
197.09732	24.5
198.10075	1.2
199.11247	0.7
202.01801	4.9
210.06866	4.1
213.09276	1.7
214.03545	1.0
215.06766	7.4
215.10796	7.7
223.07776	0.7
225.09232	100.0
226.09564	5.2
227.10841	1.6
230.01303	2.4
231.10207	1.1
243.10278	51.0
244.10654	3.0
245.11862	0.6
248.02374	4.9
277.09055	38.0
278.09436	1.8
333.74683	0.5
352.64377	0.5
364.12305	1.7
493.16098	2.8
504.58167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
58.19441	3.9
59.01380	35.8
60.37430	4.3
71.01378	14.7
71.05022	8.3
73.02955	17.2
82.02995	12.2
83.01385	11.7
83.05020	6.5
85.02977	4.3
96.04550	14.0
98.02489	46.8
98.06135	13.5
98.21887	16.3
101.02424	11.7
107.05052	30.5
108.04558	14.1
109.02952	10.2
124.04040	21.2
126.05582	18.8
127.00373	5.5
133.06636	9.0
135.08208	9.5
152.03566	33.9
161.06070	16.9
168.03012	25.8
170.04578	11.6
186.02225	6.2
189.05627	9.6
196.02515	97.9
202.01817	53.4
203.07184	9.2
209.09735	10.7
214.03606	10.1
217.12387	15.1
225.09212	8.5
226.09517	6.0
227.10791	100.0
230.01262	29.2
245.11832	42.0
248.02341	74.3
289.17624	4.5
339.71811	4.5
493.24557	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01290	1.1
55.01891	2.6
57.03443	2.7
59.01084	2.3
59.01385	46.2
66.74594	1.0
69.03468	1.3
69.12669	2.2
69.13085	5.5
71.01387	52.4
72.99315	5.8
73.02952	15.1
82.02957	1.0
83.01393	5.5
85.02956	20.2
87.00876	2.7
88.02435	1.1
89.02446	14.3
94.03002	2.3
95.01379	4.5
97.06601	2.8
99.00900	4.5
99.92591	1.3
101.02451	23.5
107.65489	1.0
107.78184	1.0
110.74678	1.1
113.02463	23.6
114.75266	1.0
115.00388	46.2
119.03526	5.4
127.67997	1.0
133.01447	100.0
134.01711	1.3
137.02534	1.4
147.98839	1.2
151.07626	1.2
157.06425	1.1
159.03032	1.3
161.02489	1.9
161.04591	10.8
179.05602	1.2
181.07025	1.3
196.02585	1.3
291.18161	36.5
313.18027	1.5
331.15628	1.7
331.19037	6.8
333.19183	9.2
333.30273	1.1
372.08936	3.7
412.20831	2.2
437.40265	1.2
444.20334	2.2
464.20166	1.5
493.24231	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	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50677	1.0
55.01879	6.9
55.60621	1.3
59.01385	37.4
61.98838	14.6
71.01386	27.2
72.99312	6.5
73.02953	98.9
74.03270	1.1
83.01392	24.5
85.02956	8.1
86.00099	1.1
87.00880	4.0
89.02454	11.1
95.01434	1.4
99.00892	8.8
101.02455	100.0
102.02804	1.3
103.37988	1.0
113.02443	7.2
119.03514	4.4
127.00379	11.2
132.55312	1.0
143.03519	1.5
145.01442	86.1
146.01776	1.6
154.22740	1.3
161.02454	2.2
161.04585	1.7
169.01418	1.5
169.15938	1.1
179.05574	2.0
185.11836	1.6
226.60614	1.2
322.89355	1.2
329.16089	5.5
345.15695	2.7
347.17133	26.2
348.17496	2.1
377.18057	1.8
389.18100	2.9
493.18869	15.1
494.20032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
62.08223	2.0
71.38358	3.2
74.28142	2.0
82.57485	2.2
84.04553	2.9
87.03728	2.0
88.05117	2.1
105.48679	1.8
109.04094	9.1
113.64734	2.3
125.10654	1.9
127.05157	20.0
128.03548	14.3
129.03934	2.4
130.08733	4.4
142.52931	2.2
145.06203	100.0
158.01074	2.3
407.45282	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	493.2293
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01878	1.6
57.03450	1.4
58.00588	1.3
59.01383	100.0
60.01720	0.8
61.43858	0.4
61.98841	0.6
68.39649	0.3
69.09229	0.9
69.09638	1.8
71.01385	48.8
72.99320	1.8
73.02950	9.6
75.00875	0.5
83.01395	4.0
85.02956	10.3
87.00880	2.3
89.02449	54.7
90.02793	0.5
95.01394	3.3
96.14051	0.4
96.58826	0.4
97.25648	0.3
98.21889	0.7
99.00902	1.4
101.02448	39.8
113.02455	20.6
119.03512	27.5
125.02468	0.9
127.00399	0.8
131.03502	2.4
132.98035	0.4
135.04597	0.4
143.03516	4.1
145.01436	7.0
149.04614	2.0
161.04561	4.3
165.16545	0.4
169.01480	0.4
179.05611	8.6
218.84834	0.4
221.06697	0.5
252.68790	0.4
313.16721	1.0
329.15952	0.5
331.07047	0.4
331.17599	2.1
340.41266	0.4
345.15353	2.2
347.17056	2.1
493.23083	33.8
494.23288	2.2
500.18958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2295
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
50.47945	0.5
55.01880	1.6
57.03453	1.9
57.19617	0.5
58.00604	1.4
59.01384	100.0
60.01735	0.4
61.98849	1.2
69.63929	2.0
71.01390	52.0
72.99326	1.3
73.02954	8.7
83.01389	4.1
85.02960	9.7
86.06005	0.4
87.00880	1.9
89.02452	58.5
90.02787	0.6
95.01408	3.2
99.00904	1.1
101.02455	35.9
102.02840	0.5
111.00846	0.5
113.02460	19.5
119.03514	27.5
125.02474	1.2
125.09839	0.4
127.00387	0.6
131.03506	3.0
131.89145	0.5
134.83070	0.5
143.03517	3.5
145.01451	3.8
149.04578	2.1
159.03073	0.8
161.04584	4.8
178.76357	0.4
179.05623	9.2
296.51318	0.5
331.17722	1.6
345.15482	1.8
347.17026	1.2
493.23044	37.6
494.23273	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03450	0.9
58.00587	0.2
59.01388	7.1
61.98834	0.3
69.03442	0.4
69.12393	0.8
69.98560	0.2
71.01386	14.2
72.99304	0.7
73.02952	2.3
74.04437	0.1
75.65086	0.1
75.77018	0.1
80.91679	0.7
82.02970	0.2
83.01388	1.7
85.02958	3.9
86.00105	0.3
87.00859	1.3
89.02465	0.8
95.01398	0.5
97.03001	0.2
98.02480	0.3
99.00877	0.9
101.01805	0.3
101.02446	4.3
103.92532	0.1
111.00877	0.9
112.01631	0.2
113.02447	1.8
115.00385	6.5
119.03497	0.4
124.01640	0.3
125.02424	0.7
129.01939	0.4
133.01469	0.9
133.02965	1.7
135.04538	0.5
141.01907	0.2
161.02460	4.1
168.03030	0.2
169.15973	0.8
179.03502	0.5
196.02542	0.6
197.02863	0.3
197.15488	0.5
203.55446	0.2
215.16531	21.5
216.16850	1.0
227.16550	0.4
229.18040	0.2
244.10521	0.2
249.20967	0.2
257.17603	0.5
297.51199	0.2
306.49170	0.2
326.96509	0.2
359.20737	3.0
360.21280	0.3
377.21811	100.0
378.22141	7.4
400.45087	0.2
493.21201	2.9
493.30139	0.3
494.21445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.69645	28.0
71.24334	7.2
96.51430	5.8
109.15759	7.7
152.77623	6.9
448.73419	6.9
489.80829	7.0
493.33719	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19405	2.3
55.36875	2.8
58.04345	2.4
59.01372	3.0
69.56413	2.4
70.64252	4.9
96.34825	2.5
138.05772	2.7
171.10252	19.1
197.02217	8.8
211.13329	3.3
277.21786	19.5
295.22794	100.0
296.22900	5.4
305.12094	2.5
318.84747	3.6
493.25897	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	494.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
56.51821	1.1
59.01375	1.9
61.98844	1.6
66.03506	1.4
69.28648	6.9
70.83680	1.1
71.05021	8.0
80.05080	6.5
82.02981	10.5
83.01377	8.9
83.05051	8.2
86.02492	2.3
96.04560	12.6
98.02484	43.8
98.06121	8.3
102.98611	2.0
107.05039	2.8
108.04575	23.8
110.61334	1.3
112.04110	1.1
113.62630	1.5
117.74923	1.3
120.01278	4.9
120.40166	1.2
124.04065	23.7
126.05611	14.1
127.00389	7.8
135.08127	1.8
141.40302	1.2
142.03349	6.4
142.05055	5.9
152.03537	29.6
161.02361	1.3
161.06093	1.8
168.03024	17.1
170.04611	15.1
186.02318	5.0
191.76756	1.3
196.02528	100.0
197.02867	3.8
202.01805	59.2
203.02193	2.0
214.03596	14.1
217.12401	2.1
227.10785	10.9
230.01291	36.0
231.01581	2.0
245.11742	5.9
248.02359	72.2
249.02798	2.1
257.08221	1.6
476.13840	5.0
494.14740	2.7
494.65384	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	494.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73010	0.3
59.01390	1.9
59.42568	0.3
60.19709	0.3
61.98833	100.0
62.07771	0.2
69.51354	1.0
71.01390	1.2
83.01439	0.3
83.37414	0.3
85.02950	1.4
89.02459	0.8
101.02472	1.0
106.00648	0.3
107.03529	0.3
113.02430	0.3
119.03526	0.4
121.02953	3.4
122.03312	1.5
153.05602	2.0
154.05907	1.6
159.46069	0.3
161.02512	0.6
179.05753	0.3
183.02695	0.3
195.26387	0.3
197.04567	7.4
198.04895	5.4
244.20296	0.3
246.13675	0.3
332.01382	0.3
332.14352	0.3
494.15833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
58.66571	2.7
59.01393	24.4
61.96367	3.3
61.98843	7.6
66.03522	4.0
71.01378	5.2
71.05038	5.3
73.02950	6.1
80.05077	4.2
82.02559	3.1
82.02972	17.8
83.01399	14.1
83.05042	8.7
85.03007	3.9
86.02503	4.1
89.19807	2.9
96.04578	12.5
98.02487	50.5
98.06144	10.4
99.27332	3.0
101.02460	6.8
107.05019	5.5
108.04560	23.5
109.02966	5.1
118.51706	3.1
120.01294	3.3
124.04068	27.6
126.05631	21.0
127.00391	9.0
133.06592	5.1
142.03343	4.4
142.05095	5.7
152.03560	28.2
155.10806	14.2
156.11115	12.9
161.06004	4.2
168.03026	18.0
170.04617	12.9
186.02310	7.0
196.02533	100.0
202.01808	43.9
214.03586	16.7
227.10800	8.3
230.01253	26.0
245.11839	13.9
248.02353	48.7
249.02592	3.4
279.10596	10.5
476.14001	4.2
494.15054	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	494.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
57.03432	4.3
59.01381	53.2
61.98827	10.5
71.01384	31.0
71.05019	4.8
72.59674	3.2
73.02948	17.9
80.05085	6.7
80.31408	3.6
82.02980	16.8
83.01376	11.7
83.05026	8.1
85.02966	20.1
87.00891	3.7
89.02472	4.9
95.01330	4.0
96.04585	4.3
98.02496	34.7
98.06139	6.9
98.22608	12.9
98.28985	3.4
101.02457	26.0
104.16956	3.8
107.05042	26.2
108.04565	25.3
109.02982	7.6
113.02481	16.9
115.91167	3.5
120.01243	6.3
121.06604	3.7
124.04061	18.5
125.02457	4.5
126.05616	12.0
127.08885	3.8
128.03548	13.0
131.21606	3.2
133.06612	7.7
135.08148	7.3
152.03555	29.7
161.04662	7.5
161.06094	17.6
168.03035	14.7
170.04614	13.7
171.07730	10.2
174.12743	3.4
177.05763	4.4
186.02313	12.0
196.02522	100.0
197.02782	4.8
197.09654	4.5
202.01781	6.1
209.09756	6.7
211.07475	4.6
214.03569	10.8
217.12350	10.4
227.10777	69.6
230.01300	3.9
233.11725	3.9
245.11852	42.1
248.02403	5.8
269.75174	3.5
279.10623	6.9
291.18149	17.1
342.31509	3.5
362.81528	4.3
435.22412	6.6
453.23425	44.7
467.00201	4.2
476.13895	13.9
494.14542	6.7
495.24500	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	494.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	21.2
70.96227	31.0
87.00835	24.4
91.69467	16.9
92.02175	18.4
117.67654	17.3
161.02455	23.4
173.97702	18.0
175.31396	17.5
187.17651	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
69.23667	1.7
69.24059	3.5
70.64515	1.1
81.03446	1.5
83.05033	7.7
83.31396	0.9
86.42754	0.9
96.04429	1.0
193.08397	1.0
207.15143	1.8
224.17755	1.3
225.16092	6.6
244.07698	1.2
285.90726	1.0
333.22867	1.3
433.31900	4.2
451.32919	100.0
452.33133	8.5
492.13263	1.1
494.33185	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	495.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16829	0.6
55.01881	3.0
57.03453	12.9
59.01382	14.2
61.98834	1.0
66.88178	0.5
67.97906	0.5
68.99822	0.7
71.01386	7.5
72.99312	1.8
73.02954	1.2
75.00883	3.0
83.01407	3.2
84.02173	1.9
85.02959	100.0
86.03292	1.0
87.00891	1.1
89.02456	5.5
97.63070	0.5
98.22633	1.4
99.04512	1.4
101.02438	3.4
103.00389	1.4
111.00890	5.4
113.02474	1.1
115.00366	1.0
119.03545	1.6
125.02419	0.5
129.01974	9.6
131.69469	0.5
145.36342	0.5
147.03026	15.7
149.06046	0.5
161.04616	1.1
173.00978	2.1
179.05643	1.3
191.01999	30.2
208.40044	0.5
229.05150	0.8
232.13197	0.7
244.07436	1.5
279.16125	2.1
291.12494	0.8
303.08673	2.7
459.22495	1.4
477.09750	0.7
495.11783	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	495.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60278	0.9
54.70992	1.0
55.72548	0.9
58.02967	0.9
59.01386	7.3
59.23235	0.9
61.98830	2.3
70.43499	1.0
71.01388	2.2
74.02486	1.4
75.19814	0.9
80.91685	1.7
82.03004	1.5
84.04568	1.4
85.02946	1.3
86.02487	10.8
86.77657	0.9
96.04610	1.5
98.02477	2.3
107.05028	1.0
109.07707	1.1
120.01252	10.0
127.05120	2.6
127.08788	12.0
128.03552	100.0
129.03835	1.2
135.04544	1.0
152.03537	1.0
153.06721	5.2
161.05998	1.0
171.07762	29.5
172.08031	1.2
179.03374	1.6
179.04730	1.1
196.02533	2.6
197.02823	1.4
197.15558	1.0
215.06847	5.0
227.10800	1.9
228.11130	1.4
231.04430	7.0
249.05527	46.7
250.05959	1.3
313.52396	1.1
314.71909	1.2
343.36377	1.0
405.24591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.4
71.01389	4.4
73.02959	0.8
74.02475	1.7
79.40496	0.5
81.03461	1.3
82.02984	1.3
83.05043	0.7
84.04546	2.1
85.02955	1.9
86.02487	26.5
89.02451	4.2
93.03481	1.2
96.04569	0.8
98.02486	0.6
99.04530	1.6
101.02453	2.2
102.98586	0.7
107.05038	16.2
108.05312	0.5
109.02936	4.5
109.07743	0.8
113.02464	1.1
119.03501	1.3
120.01263	16.8
120.05820	0.8
121.06602	1.5
125.02570	0.5
127.05142	2.4
127.08778	8.9
128.03552	100.0
129.03925	1.4
133.06584	2.7
135.04596	0.8
135.08182	3.9
149.06137	0.7
153.06721	5.6
161.02406	0.6
161.06084	9.1
166.82259	0.5
171.07770	25.1
177.05505	0.9
179.04683	1.9
183.11865	0.5
189.05638	1.1
196.02533	2.4
197.05722	2.2
197.09695	1.3
205.12436	0.8
209.09685	3.3
211.07709	1.8
212.08394	2.0
215.06749	13.2
217.12396	5.7
227.10797	25.8
228.11115	1.5
231.04472	7.4
233.11893	2.5
235.17261	0.6
245.11844	12.2
246.12387	0.8
249.05525	34.0
250.05974	0.6
279.16037	7.2
302.01205	0.5
366.13885	0.9
459.22507	2.9
495.17856	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	495.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.64969	15.4
69.78635	13.7
71.01373	33.2
73.02942	20.0
83.01380	18.2
85.95541	15.0
96.04561	21.2
98.02493	46.8
98.21842	42.8
101.02460	37.9
108.04618	20.9
118.96584	20.8
124.04025	27.4
129.82747	15.1
152.03505	19.8
170.04530	18.0
196.00877	16.9
196.02406	73.0
197.02841	29.3
202.01787	45.6
203.02135	26.4
229.12308	33.2
230.01370	34.5
241.08839	17.6
248.02267	44.7
249.02699	20.5
256.70090	16.1
377.66095	19.1
415.12268	16.9
495.19101	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	495.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01093	0.8
59.01384	15.4
61.98822	1.3
69.25516	2.2
69.25919	1.1
71.01388	13.9
72.99284	0.8
73.02953	3.0
83.01387	2.1
85.02951	6.9
87.00878	0.8
89.02456	4.6
94.42419	0.5
95.01406	1.1
99.00854	1.7
101.02458	7.3
111.00887	1.0
113.02441	3.9
119.03523	1.4
121.03013	0.6
125.02514	0.8
125.09724	4.6
135.04492	1.0
161.04619	1.2
167.03474	0.9
171.10275	20.6
179.03563	1.1
197.04611	0.6
248.68582	0.5
276.49612	0.5
277.45746	0.6
315.14450	3.1
333.15573	36.6
334.15970	2.8
367.33353	0.6
495.20859	100.0
496.21249	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	495.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.00576	0.4
59.01384	20.5
61.98828	3.1
69.03439	0.8
71.01387	14.9
72.99318	1.1
73.02949	3.9
81.03470	0.5
83.01389	1.9
85.02954	5.8
87.00873	2.7
89.02448	7.9
95.01385	1.2
97.02949	1.6
99.00862	1.3
101.01806	0.8
101.02451	10.9
109.02930	0.6
111.00887	0.8
111.08179	2.3
113.02467	4.3
115.03960	0.5
119.03492	1.8
121.03052	0.5
125.02443	1.5
125.09729	2.5
131.03506	0.8
135.04489	1.4
137.02461	1.0
141.01921	0.4
143.03471	0.6
147.02951	0.8
151.00302	0.5
153.09204	1.8
161.02441	1.0
161.04593	1.3
171.10281	11.8
172.10521	0.5
179.03496	0.9
179.05589	0.5
180.99864	0.4
181.01379	0.9
185.11827	0.5
191.02045	0.8
191.05627	0.4
221.06674	5.6
315.14548	1.6
320.53375	0.5
333.15536	10.1
333.19037	0.4
334.15918	0.7
378.43457	0.5
495.20853	100.0
496.21170	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	495.2099
Annotation	NS-304
Peak:m/z	Relative Intensity
54.83496	0.3
57.03462	0.6
59.01385	13.7
61.98819	1.4
71.01383	12.0
71.39999	0.4
72.99295	0.8
73.02959	3.6
73.03333	0.6
83.01395	2.2
85.02951	5.7
87.00874	1.9
89.02441	3.4
93.03458	0.4
95.01392	1.0
96.95993	0.5
97.02939	0.8
99.00887	1.3
101.02448	8.1
109.02947	0.4
111.00874	0.7
113.02446	4.0
118.98127	0.4
119.03507	1.1
121.02935	0.5
125.02451	0.9
125.09715	3.7
128.03546	0.6
135.04491	1.0
137.02412	0.9
143.03543	0.5
153.09196	0.8
161.02475	0.9
161.04584	1.0
171.10283	18.3
172.10579	0.7
179.03534	1.3
210.48056	0.4
213.11339	0.4
228.34464	0.4
273.07590	0.6
315.14429	1.2
333.15564	24.4
334.15921	1.3
365.19980	0.4
433.89911	0.4
495.20853	100.0
496.21222	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	495.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
61.98837	1.6
75.55859	0.9
85.02947	2.4
94.80991	1.1
98.22678	2.5
111.05685	1.1
158.84648	1.2
160.97592	1.3
175.96150	1.0
194.09802	1.0
202.01572	2.0
215.99496	1.3
259.20642	1.3
275.06039	1.2
276.98868	1.1
277.07602	2.1
279.09274	2.8
284.05829	2.8
293.10605	3.2
296.51315	1.0
307.08783	1.4
319.22717	8.8
321.10226	1.4
337.23816	15.5
354.10010	2.0
355.15707	1.0
363.18527	3.3
373.16711	1.5
375.18484	15.6
376.18604	1.6
417.19608	100.0
418.19965	8.9
435.20633	49.0
436.20847	3.6
479.19778	6.1
495.22803	30.7
496.23080	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01385	100.0
65.71363	0.7
70.03205	1.0
70.03540	1.6
71.01387	1.8
72.68357	0.7
73.02966	1.9
76.55589	0.8
85.02985	2.5
87.04523	54.4
89.02460	1.0
93.20216	0.8
96.96060	1.0
98.22595	0.9
101.02559	0.7
103.04019	11.9
103.79256	0.7
133.03029	1.7
161.02463	5.8
161.11850	1.1
202.19176	0.8
305.16306	1.3
353.64618	0.7
435.22351	1.0
486.77148	0.8
495.23071	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01536	1.1
55.01879	3.7
57.03450	3.2
59.01385	100.0
60.01705	1.4
65.97769	1.3
69.03483	1.3
71.01386	60.4
72.99329	3.6
73.02957	12.2
74.02491	1.3
75.00883	2.1
83.01395	6.4
85.02953	21.4
87.00894	4.3
89.02448	46.6
95.01413	4.9
95.40845	1.2
96.56274	1.0
97.02953	1.2
98.02508	1.2
99.00897	4.4
101.02448	46.7
107.01421	2.2
108.02182	20.6
109.02976	8.0
111.00920	4.1
113.02467	21.7
119.03516	23.4
119.04338	1.9
121.02947	5.2
123.00907	3.0
125.02440	1.4
125.03614	2.2
125.79239	1.1
127.25016	1.0
131.03482	1.4
133.03003	1.5
136.01863	1.2
137.02480	2.0
139.04050	1.6
139.05099	1.4
141.01994	1.8
143.03539	5.0
143.38663	1.1
147.03021	1.2
149.04604	2.0
152.01167	26.6
153.01964	10.9
153.05603	2.4
155.08315	1.3
159.03056	1.8
160.00847	2.3
160.47136	1.0
161.02498	2.5
161.04559	7.6
165.06760	1.4
167.00078	1.1
179.05618	7.6
181.01479	3.6
183.03038	4.4
197.04633	2.6
225.05241	6.0
226.07352	1.2
227.72231	1.4
253.04683	10.3
259.03976	1.4
271.05807	2.2
271.82574	1.1
297.06274	1.9
305.04565	3.5
306.43851	1.2
311.04947	1.2
312.05127	2.2
315.18228	1.5
326.06592	1.3
327.07220	9.8
333.19037	10.1
347.17163	8.3
365.19598	1.4
435.25006	1.6
470.93307	1.3
495.11993	21.9
495.24716	89.7
496.12140	2.6
496.25095	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	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02586	0.8
55.01883	4.0
57.03435	5.1
59.01384	100.0
61.98840	1.6
63.20626	0.9
69.03456	2.8
69.19859	3.8
71.01387	59.3
72.99320	2.2
73.02952	29.1
73.33144	0.8
75.00883	1.5
81.03474	1.1
82.03004	1.1
83.01394	18.0
83.05024	1.0
85.02958	33.0
86.00066	0.8
86.02509	2.2
87.00877	5.0
89.02448	10.8
93.03452	0.8
93.29712	0.8
95.01399	8.1
97.02390	0.8
97.02934	4.3
98.02479	2.4
99.00890	10.8
100.56137	0.8
101.02451	52.3
102.02827	1.5
107.05046	3.2
108.04580	1.6
108.05264	0.8
109.02967	2.3
111.00893	3.2
112.01688	1.2
113.02460	32.6
114.03217	1.4
115.04092	0.8
119.03517	2.9
121.03053	1.0
125.02455	8.1
127.04007	1.1
127.08804	1.6
128.03564	11.2
129.01952	1.3
131.03481	1.3
133.06604	2.1
137.02480	0.9
143.03508	9.4
147.64723	0.7
152.03561	2.6
153.06656	1.0
155.03477	1.5
159.02997	3.0
161.04584	22.8
161.05939	1.1
167.03511	1.0
167.33266	0.7
168.03024	1.0
170.04626	0.9
171.07794	5.9
179.05650	1.2
191.61650	0.8
196.02565	5.5
197.02745	1.7
201.05476	1.1
201.09276	1.6
203.05759	1.2
214.03426	0.9
223.53360	0.9
227.05421	1.1
227.10780	2.1
228.11116	2.3
231.10298	1.8
234.11806	0.8
239.90707	1.0
245.11900	1.6
246.12312	1.7
279.10724	4.0
291.18173	34.2
292.18484	1.7
327.21872	1.3
333.19226	6.6
357.19226	1.0
435.22385	14.7
453.23441	81.4
454.23911	4.9
495.18027	1.4
495.24533	12.6
496.25388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2966
Annotation	20,26-Dihydroxyecdysone
Peak:m/z	Relative Intensity
57.03441	3.6
59.01382	12.1
65.03963	2.5
69.03450	2.2
71.05027	1.8
71.41872	1.2
81.03423	1.5
82.22377	1.1
83.05035	12.4
85.06601	3.3
91.04037	2.2
95.05008	1.7
97.06598	5.7
105.07103	1.8
107.08717	1.8
109.06588	4.3
110.83163	1.3
111.08172	8.8
119.05045	3.0
123.08173	2.5
125.09726	14.6
127.11297	1.9
133.06561	1.9
135.08202	2.9
137.09703	4.2
151.11336	2.2
156.44252	1.2
171.10289	61.6
172.10608	1.7
185.11867	3.5
187.14944	3.3
189.16423	2.5
205.15941	9.1
209.11836	4.9
211.13412	8.6
215.14429	4.9
221.15501	5.2
231.13901	8.4
233.15491	39.1
234.15761	1.7
239.16522	2.0
249.14957	35.5
251.16527	2.7
252.13684	1.4
257.17661	3.4
283.19196	2.8
309.20862	1.6
313.25186	1.9
323.18463	2.0
331.26364	5.9
332.19525	2.0
333.19971	3.2
341.24963	6.5
357.24634	1.8
359.25928	5.2
367.22858	3.4
375.25491	4.3
377.26852	2.9
385.23868	18.1
386.24362	1.9
393.26471	4.1
403.24905	69.1
404.25250	7.0
421.26001	99.4
422.26270	7.4
477.28610	27.5
478.28946	2.8
495.29712	100.0
496.30103	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	495.2968
Annotation	Lesterone
Peak:m/z	Relative Intensity
57.03432	1.8
59.01389	8.4
62.58124	1.3
65.03980	2.0
69.03454	2.0
69.16588	3.0
69.16988	8.1
71.01385	2.8
71.69155	1.6
83.05050	7.3
85.06604	2.7
87.00893	1.9
89.67995	1.3
91.04049	1.6
93.03444	1.5
95.05029	1.4
97.06614	5.9
98.29468	1.4
107.08664	1.6
109.06570	2.7
111.08192	3.4
111.86267	1.3
121.06597	1.5
123.08167	2.5
125.09726	20.9
137.09726	1.8
159.11896	1.3
161.02477	1.6
163.11215	1.8
171.10306	20.0
183.13925	2.9
187.14961	2.1
189.16571	1.8
205.15967	5.9
209.11836	4.2
211.13441	13.8
213.14891	2.1
215.14499	7.4
221.15541	3.3
231.14011	3.8
233.15482	100.0
234.15807	3.0
235.17094	1.7
249.14967	18.1
251.16550	4.5
323.23569	1.7
331.26456	5.5
341.24908	5.2
357.24466	2.3
359.25897	3.9
367.22708	1.7
375.25473	4.5
385.23825	26.8
386.24240	2.0
393.26526	4.3
403.24908	67.3
404.25262	5.3
421.25977	49.6
422.26389	2.5
477.28610	95.2
478.28928	9.2
495.29694	58.6
496.30283	6.9
514.49280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.98831	1.7
65.99841	3.4
71.16436	0.9
73.02939	1.7
82.02993	27.8
83.01389	2.0
87.00942	0.7
99.00887	1.2
106.02961	0.9
108.04449	1.0
122.06124	3.1
136.04041	3.9
136.07692	1.4
138.05644	1.3
150.01976	1.1
161.02478	0.8
164.03542	7.9
174.09285	0.7
188.07216	0.7
194.04622	4.1
196.06129	2.2
204.03157	1.1
213.06641	1.0
213.10445	1.0
215.08263	1.6
225.10294	0.9
227.08368	1.2
228.09079	1.5
237.45522	0.8
241.06161	1.5
242.07130	0.9
255.07726	4.6
267.11401	1.0
268.08649	0.8
269.09335	1.0
287.10339	1.5
293.12866	1.0
308.50034	0.8
320.10327	2.2
334.11920	3.8
335.12799	5.3
336.13470	3.3
347.13629	0.8
348.13538	3.7
350.15106	16.7
351.15631	1.3
362.11197	2.4
362.15121	1.0
363.12225	1.2
377.13916	3.7
378.14532	4.3
381.14444	1.6
389.14789	1.5
390.14786	1.5
394.13791	3.8
409.16415	6.5
410.17139	2.0
422.17151	0.9
464.18201	9.1
481.18399	2.0
496.20923	100.0
497.21219	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	496.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31223	5.7
55.22820	5.7
56.14557	5.3
59.01385	14.4
69.93889	9.4
69.94238	14.1
75.45035	6.1
98.21965	9.0
113.02417	9.4
115.87977	5.6
144.08385	5.8
165.12856	11.0
241.82527	5.8
247.20735	8.2
291.19693	100.0
292.20016	9.9
459.78082	6.4
475.66235	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	496.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.6
59.93052	3.4
69.20376	13.6
69.20775	8.0
94.33119	3.1
96.04940	3.3
103.22060	3.5
121.10217	4.1
146.70261	3.5
169.67863	3.0
172.96574	4.0
185.11873	7.3
198.67296	3.9
269.07242	3.5
291.16492	7.1
291.19662	100.0
292.20047	8.4
315.00266	3.1
333.20721	5.8
340.61197	4.0
406.09869	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	496.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.45643	3.4
79.85117	2.8
150.83672	2.8
192.83263	3.2
211.13347	4.8
212.13701	3.6
290.68607	3.2
302.31976	2.8
312.99698	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	497.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24059	0.8
56.77856	0.9
59.01379	6.1
69.41370	4.4
71.01393	4.9
72.99317	5.4
78.95884	0.9
83.01356	0.9
84.11259	1.0
84.47025	0.9
85.02958	3.6
89.02441	2.2
93.03468	38.2
98.99402	1.4
99.00813	1.1
101.02457	2.6
113.00951	1.5
113.02474	1.3
114.98891	1.0
115.37395	0.8
117.00450	1.0
119.03502	1.2
125.00986	6.4
126.98884	1.0
134.03737	1.1
137.02457	100.0
138.02779	1.7
141.00377	2.0
151.04099	1.0
166.98439	0.9
167.02043	1.9
168.99905	3.6
170.97874	1.4
175.02505	1.5
175.03949	1.2
179.03499	4.8
184.95850	1.0
193.05009	2.2
196.99400	1.2
212.98874	1.7
222.97693	1.0
229.85379	0.9
230.99910	3.3
239.05727	1.6
254.99991	1.6
260.01852	1.1
299.07739	42.2
300.08261	1.5
301.05704	1.5
302.98410	3.2
303.18039	0.9
305.01514	1.0
331.06836	1.3
335.05774	0.9
389.03558	2.3
407.04639	2.4
497.10623	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	497.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.4
59.01385	15.4
59.31797	1.6
69.03602	10.8
71.01393	19.0
85.02958	22.1
89.02466	8.0
95.01405	7.4
101.02454	3.3
113.02456	45.2
119.03500	2.5
123.04493	2.4
132.11815	1.6
135.04536	22.6
143.03574	1.9
151.03975	2.0
155.73042	1.6
157.65042	1.9
161.04552	2.5
180.96471	1.6
193.10959	1.7
195.96240	1.8
297.10336	2.1
315.11166	2.0
411.11270	1.7
411.56830	2.3
461.16702	100.0
462.16956	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	497.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
58.24704	1.0
59.01384	12.8
62.25582	1.0
69.03342	1.9
69.03742	5.3
71.01390	19.2
71.99913	1.2
85.02960	20.8
85.07816	0.9
89.02454	7.0
95.01406	7.5
96.95975	1.9
98.22717	2.0
101.02451	2.9
113.02460	40.4
114.02789	1.1
119.03484	1.5
121.23246	0.9
123.04534	2.6
125.80204	1.0
135.04544	23.0
137.15305	1.1
141.14006	1.0
151.03999	3.0
153.05560	1.8
161.04614	5.1
170.36481	1.3
172.73567	1.0
186.12108	1.0
238.36798	1.0
297.09610	1.0
315.10812	3.0
424.46783	1.1
428.32007	1.0
459.14951	1.3
461.16687	100.0
462.17117	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	497.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	33.6
61.00438	10.8
61.98824	27.8
71.01379	36.5
73.02956	14.9
85.02951	33.5
89.02419	15.5
93.03476	15.4
96.49815	7.4
96.96001	13.0
100.09028	7.4
101.02415	17.1
111.00911	10.1
113.02453	14.9
119.03483	7.9
122.03809	9.5
125.02447	8.2
131.03510	9.0
133.02959	12.2
134.03763	9.3
135.04497	36.1
137.02443	40.4
148.26877	7.7
148.65767	7.0
149.04602	11.4
149.06012	12.7
161.02426	39.1
161.04515	11.7
165.05559	23.5
177.05563	9.7
179.03481	28.0
186.90868	8.2
215.91685	8.9
249.11336	13.3
293.08734	9.8
315.14590	8.0
318.65125	7.6
333.15515	19.5
338.68637	7.5
405.07562	7.8
423.14215	21.2
423.63983	12.9
458.96680	7.6
461.16882	10.5
497.14349	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	497.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23646	1.8
60.34319	1.9
61.14474	2.3
67.01915	2.4
69.03472	4.9
71.44471	2.0
81.03464	16.5
83.05052	6.6
83.05625	2.3
93.03475	6.0
97.02926	2.9
104.14681	2.0
107.05039	36.1
109.02972	18.2
124.01683	4.8
125.02512	4.2
131.05022	16.0
133.06613	7.3
144.05887	2.2
145.06609	4.6
146.03746	12.6
147.04533	100.0
148.04732	2.2
156.05795	2.1
157.06586	3.1
171.04559	2.9
171.06819	2.1
171.08122	12.6
173.06099	12.6
173.09715	8.5
181.06627	3.1
183.08195	10.7
185.06067	2.8
186.06844	3.9
195.08189	8.9
197.06071	7.3
197.09813	9.0
198.06891	3.1
199.07726	11.2
201.09215	38.6
202.09583	2.4
207.08275	3.1
209.04274	2.4
209.06104	4.6
210.06894	3.7
211.07698	19.3
212.04742	3.8
213.05574	2.1
213.09212	6.1
215.07155	4.5
218.56302	2.3
223.07602	24.0
224.08408	5.6
224.61516	2.0
225.05630	7.3
225.09151	15.1
226.06447	6.7
227.07152	15.4
228.07942	4.4
229.08720	39.2
235.07735	3.8
236.04654	3.0
237.05595	4.6
237.09239	7.6
238.06342	3.0
239.07111	8.1
240.07922	6.3
241.08723	39.4
242.09325	5.1
243.06697	9.8
248.06778	2.4
251.07077	10.6
252.08179	2.4
253.08771	11.8
255.06596	4.9
257.08252	21.1
261.09219	5.2
262.06390	2.1
263.07162	6.0
263.10776	7.9
267.06714	12.1
268.07401	4.1
269.08194	52.4
269.10880	4.1
270.08868	13.4
281.08258	9.0
287.10880	2.7
289.08755	4.3
291.07239	3.3
291.10010	10.3
301.08850	2.9
301.12271	2.5
303.10358	2.3
311.10651	2.7
313.08862	3.1
313.12360	6.0
314.09201	2.8
314.76114	2.3
315.10333	8.3
325.12469	3.9
327.10150	7.5
327.14011	9.4
328.10876	3.2
329.11874	5.3
331.10007	5.6
339.10275	3.1
341.11972	14.7
342.62207	2.5
343.09488	4.1
343.13458	7.9
344.10532	2.9
353.11826	4.3
355.09653	5.7
355.13562	3.9
357.11307	5.8
369.11392	15.4
370.12030	6.9
371.13043	21.5
372.13651	6.0
373.14413	4.4
381.11218	2.5
383.13098	2.9
385.10858	8.2
386.11548	4.4
387.12341	4.6
395.12851	2.9
398.11642	70.3
399.12360	26.8
400.13174	77.3
401.13712	8.2
411.12430	3.9
412.13181	2.7
428.12988	3.1
439.12122	10.3
440.12741	3.6
451.15573	4.6
453.17087	2.7
469.16843	7.6
479.15045	16.5
497.16132	37.4
498.16629	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	497.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27363	2.4
51.56773	2.5
52.09156	2.8
55.01886	3.2
57.01525	3.1
57.03460	3.5
59.01383	62.2
61.95115	3.1
61.98842	5.1
64.80914	3.5
64.84939	2.4
71.01390	88.2
72.99324	5.0
73.02945	21.9
78.91920	6.5
80.91690	100.0
81.03457	3.1
83.01399	10.3
85.02963	45.6
86.88210	2.7
87.00881	4.9
89.02452	27.2
90.98621	7.6
95.01388	3.9
97.02967	5.4
98.03346	2.6
98.99389	4.9
99.00877	6.6
101.01011	6.7
101.02454	49.7
102.98901	4.5
113.00944	3.5
113.02470	26.5
117.00426	9.6
121.02979	3.3
125.02420	4.1
126.98948	2.7
129.01958	7.0
131.03502	9.2
135.04518	10.4
141.00455	24.1
143.03503	5.3
147.03040	3.8
147.04575	3.2
149.04584	11.0
153.00436	3.7
155.02016	6.0
159.03014	3.0
161.02458	8.2
161.04590	28.3
167.02055	3.0
167.03484	7.3
168.99947	6.1
173.11833	15.5
179.03510	9.2
179.30585	2.9
183.01506	10.6
191.02054	5.7
191.05713	3.1
256.28769	3.0
273.04944	3.0
305.16107	60.1
306.16486	4.2
317.16367	4.7
335.17288	16.7
365.10919	28.9
366.11093	4.3
437.20282	61.1
497.15210	70.5
497.22421	55.7
498.15421	7.4
498.22229	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	497.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10558	1.1
59.01384	100.0
61.98819	2.8
71.01392	1.6
73.02940	1.7
80.46712	1.2
81.03464	1.9
83.01394	2.1
93.41760	1.2
99.00879	2.4
109.02985	2.9
110.26089	1.1
113.02388	1.2
120.34328	1.2
141.05620	2.7
170.88316	1.2
177.12862	2.4
233.26843	1.2
289.14343	1.2
293.17538	3.2
301.17944	1.6
335.21832	2.3
345.17029	4.1
365.16098	5.5
366.55933	1.3
377.19775	8.1
445.39127	1.4
497.26169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.5
57.03448	2.8
59.01383	19.2
71.01386	22.2
72.99324	1.2
73.02950	12.7
75.00883	0.6
83.01382	6.8
85.02954	15.3
86.00113	0.8
87.00890	2.9
89.02451	2.1
91.85207	0.5
95.01409	2.2
97.02969	0.9
99.00880	3.3
101.02448	23.3
111.00892	6.3
113.02460	9.9
127.84247	0.5
129.01953	1.6
141.01973	0.9
143.03487	0.5
145.94566	0.4
146.00587	0.4
155.10442	0.4
159.03000	2.2
161.02470	0.8
161.04558	4.9
165.10266	0.4
198.16832	0.4
228.77007	0.5
229.32535	0.4
335.20755	11.7
384.32303	0.4
425.74283	0.4
497.26065	100.0
498.26395	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	497.2887
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
50.35218	0.9
51.02047	1.0
55.92205	0.8
64.78081	1.1
71.40619	1.1
77.68888	0.8
78.95900	7.3
119.93620	1.0
131.75630	0.8
152.99599	13.9
171.00626	0.9
192.77843	0.9
227.03354	3.6
245.04402	1.6
255.23386	2.0
269.24887	100.0
270.25296	4.3
271.38104	0.9
497.28857	25.6
498.29272	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	497.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59332	1.0
59.01370	1.4
61.44249	0.8
61.98840	1.2
70.64417	2.0
91.05584	1.0
102.72813	1.1
108.76803	0.9
111.56023	0.9
149.34201	1.1
183.13908	5.7
193.12186	1.6
197.88263	1.0
211.13409	100.0
212.13719	2.8
247.53999	1.3
251.01175	1.0
285.17130	5.6
314.48395	1.0
387.25299	3.0
405.26483	5.1
406.20468	1.4
479.30084	7.3
497.25961	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	497.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57608	0.8
59.01387	1.1
68.14948	0.7
70.23784	1.0
73.26510	0.9
111.04544	1.0
113.01118	1.0
162.94406	0.9
179.25964	0.9
183.13960	5.9
193.12296	1.9
211.13414	100.0
212.13776	3.4
285.17004	6.0
320.45010	0.9
387.25412	2.9
405.26535	7.9
479.30191	7.8
497.25641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3641
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
54.98035	0.5
57.82038	0.4
59.01389	3.8
59.72083	0.4
66.06354	0.5
66.78388	0.4
70.93089	0.8
85.63663	0.5
110.62698	0.5
224.82828	0.6
225.09726	0.5
268.46231	0.5
389.96622	0.5
437.34116	3.0
497.36414	100.0
498.36703	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	498.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46845	0.6
59.01382	5.8
61.98834	100.0
69.94985	1.1
77.28410	0.5
104.23441	0.5
153.97409	0.6
161.61307	0.6
222.01778	0.7
242.36185	0.7
487.53577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	3.0
61.98826	7.0
68.58327	2.1
71.01402	11.2
73.02949	19.2
78.66831	1.8
80.57830	1.8
83.01379	6.2
85.02941	5.8
89.02483	4.6
96.96034	2.8
98.02485	2.8
101.02458	15.2
113.02465	6.1
135.04558	3.4
161.02440	2.7
161.04630	2.6
179.03465	3.2
182.02414	1.8
196.02454	3.5
281.06445	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	498.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
61.09435	3.3
69.33189	2.7
69.39603	2.3
69.79793	6.3
71.01412	2.6
78.88678	2.5
79.15467	2.6
105.76160	2.7
121.10256	9.6
171.10254	17.7
192.77113	2.6
211.13414	22.6
212.13762	23.8
275.20197	50.2
276.20746	3.0
286.17508	3.6
293.21271	100.0
294.21555	8.9
321.98807	3.3
409.22610	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	498.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38599	3.4
59.01377	9.2
61.98827	14.6
68.11974	3.3
69.19529	8.0
69.19936	14.0
70.67695	3.4
74.41824	3.1
84.00922	5.8
85.16469	3.3
89.54659	3.2
113.02470	6.4
166.39583	3.6
185.11867	3.9
219.00658	3.6
249.68573	3.4
293.21255	100.0
298.98450	3.5
335.22189	5.8
395.62027	3.6
482.05527	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
57.13092	2.6
59.01384	100.0
62.31327	2.9
70.27766	2.9
71.01385	23.8
72.68886	2.2
72.99307	3.4
84.36834	2.8
85.02949	23.4
87.00871	2.4
89.02438	27.3
98.22690	6.1
101.02460	11.4
113.02430	11.3
114.05613	3.0
119.03485	8.9
138.72469	3.1
147.02954	4.1
156.99107	19.0
161.04510	4.7
179.05637	7.5
191.01988	11.1
209.03035	5.5
212.91206	2.9
237.62248	2.5
341.10892	76.6
363.08121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03456	10.5
59.01381	8.3
62.45555	0.4
68.99847	0.6
71.01383	4.7
72.23662	0.5
72.99320	1.2
73.02959	1.5
75.00891	2.5
83.01392	2.5
84.02184	1.7
84.89674	0.6
85.02959	100.0
86.03297	1.5
87.00906	1.2
88.23009	0.5
89.02458	1.1
99.00861	0.7
100.86289	0.5
101.02399	0.7
103.00383	1.5
108.08129	0.6
111.00903	5.3
115.00413	0.9
116.60030	0.5
127.00517	0.5
129.01964	7.4
133.02986	0.9
134.03760	3.3
135.04581	0.8
145.01526	0.7
147.01836	1.0
147.03006	14.2
160.46928	0.5
161.02444	1.0
173.00932	1.3
177.01909	0.6
178.02734	0.6
191.01996	29.0
224.21263	0.5
287.34396	0.6
307.12057	1.3
498.33078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46743	4.8
57.60273	3.7
67.01900	3.9
69.03463	25.2
69.10467	14.5
69.10868	7.1
81.03463	8.0
89.02512	3.4
90.33574	3.9
95.01407	5.1
95.59385	3.8
96.72243	3.5
97.02939	34.9
98.21867	8.5
106.75284	3.7
107.05057	14.8
114.51218	4.3
124.01699	35.1
125.02457	100.0
125.03336	7.1
147.04524	30.6
150.20117	3.7
161.06125	16.3
173.09712	5.2
183.08186	8.5
185.09769	19.0
195.08122	5.4
199.73076	3.5
200.59828	3.3
201.09216	12.0
210.24057	3.6
211.07655	20.5
213.07338	3.8
213.09216	24.7
229.08755	32.0
239.07237	6.4
257.08133	21.6
269.08160	5.7
271.09888	8.4
293.36981	4.7
318.09058	14.4
400.13422	3.7
471.17288	4.0
481.16888	5.2
499.17627	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	499.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06366	2.3
64.78914	2.3
69.03447	7.7
81.03463	15.7
83.05025	9.0
93.03487	4.1
97.02953	6.5
99.33067	2.2
102.96433	2.1
107.05013	33.3
109.02975	15.2
112.52423	2.0
121.06501	2.8
125.02436	3.8
131.05031	13.5
133.06602	13.5
145.06628	5.2
146.03748	4.1
147.04538	100.0
148.04857	4.7
155.08681	3.3
157.06631	6.1
171.08148	9.5
173.06071	22.7
173.09711	7.7
179.42589	2.7
181.06610	4.3
183.08168	13.8
185.06024	4.8
185.09692	3.3
186.06871	5.2
195.08066	4.0
197.06076	4.7
197.09682	11.0
199.07651	13.3
201.09244	60.4
202.09607	2.7
206.11459	2.4
209.06090	4.1
210.06862	5.5
211.07565	8.9
211.09451	2.9
212.04813	7.8
213.05629	5.7
213.09224	7.7
214.06435	3.4
215.10796	6.0
223.07661	10.3
224.08345	9.2
225.09213	27.2
226.06444	3.1
226.09433	2.9
227.07144	19.7
228.07913	15.7
229.08688	57.7
230.09084	3.1
236.04712	2.6
237.05420	3.0
237.09143	5.6
239.07138	3.9
240.07912	4.8
241.08730	25.3
243.10240	20.6
245.08153	33.7
251.07089	3.9
253.08673	32.0
254.09323	8.9
257.08160	7.4
259.09726	4.8
263.06918	3.2
263.10727	9.1
265.08737	3.2
269.08176	9.0
271.09769	80.4
281.08200	10.6
284.09662	2.6
287.10675	4.3
291.10205	8.3
315.10199	8.8
318.08920	8.2
327.14001	5.5
328.11060	4.6
329.11743	4.1
331.09622	5.7
343.13306	7.8
344.10382	13.4
352.13104	10.1
353.11902	4.2
357.11316	6.7
369.11490	4.0
370.11996	3.4
370.16681	2.8
371.13019	17.7
372.13412	8.6
373.14471	15.4
374.14905	3.0
385.10800	10.0
398.11465	19.0
399.12247	5.2
400.13235	91.9
401.13837	21.5
416.12726	2.7
428.12604	10.9
463.15677	4.1
481.16705	11.7
485.03085	2.7
499.17908	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	499.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48384	4.3
59.47337	4.4
68.00826	4.4
69.03452	35.2
69.82243	14.1
78.31349	4.2
78.95914	5.7
81.03482	10.2
97.02954	47.2
107.05032	34.2
120.79594	4.5
124.01668	27.2
125.02452	100.0
127.69257	4.8
131.05064	5.1
147.04535	37.1
161.06157	22.9
172.93800	5.0
173.06052	8.9
173.09659	5.8
185.09625	24.8
195.08257	5.1
201.09244	15.6
211.07677	24.3
213.09239	30.5
225.09224	11.4
229.08751	31.8
239.07214	7.5
257.08221	29.7
269.08200	6.7
271.09726	12.8
318.08984	18.4
400.12964	6.2
481.16653	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	499.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
58.90862	4.5
59.01384	93.0
70.68768	9.4
71.01384	100.0
72.48358	4.4
72.92796	4.6
73.02950	21.2
85.02953	38.7
87.00909	8.5
89.02449	75.6
99.00925	7.8
101.02449	65.4
113.02480	34.7
119.03532	8.1
131.03525	21.7
135.04498	10.4
139.08649	4.9
143.03520	4.9
149.04575	47.6
161.04620	25.6
179.03561	5.1
179.05553	10.5
191.05588	10.2
277.12912	31.6
439.18289	71.8
499.11618	7.8
511.63852	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	499.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74971	4.5
53.43391	4.2
55.01883	5.5
55.39327	5.1
59.01385	100.0
61.98830	10.0
69.11578	4.8
71.01384	23.6
73.02949	46.6
83.01391	20.1
83.05043	6.6
85.02949	29.3
87.04527	27.8
89.02439	8.9
101.02451	29.2
111.00885	28.8
113.02448	10.4
115.76205	5.0
127.07697	8.2
128.03558	6.3
128.40958	4.2
129.01939	14.7
142.15619	5.3
155.07138	11.9
161.02509	10.6
167.03511	21.3
170.43097	5.0
172.45384	4.7
235.06166	8.4
237.41246	5.7
237.43460	5.6
281.69785	5.9
379.58896	6.4
404.22546	5.2
522.40692	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	499.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78450	1.8
54.27982	2.3
55.57590	1.9
59.01385	100.0
61.98842	2.6
71.01387	15.9
71.41087	2.4
73.02953	27.8
78.16135	1.9
83.01388	6.5
83.05044	3.2
85.02946	8.7
87.00896	3.7
89.02445	10.9
90.98597	5.5
96.96033	4.7
97.30848	2.1
99.04539	4.4
101.01849	2.7
101.02444	18.8
113.02446	7.5
118.98119	2.9
120.99682	4.2
149.04506	2.2
161.02361	3.1
161.04611	2.3
166.86766	2.1
179.03493	2.8
181.18629	2.0
191.02023	2.9
191.05548	3.0
233.11885	3.9
243.10512	2.5
251.19383	2.1
292.03680	2.4
375.55026	2.3
387.75482	2.4
400.52072	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	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92562	0.4
59.01384	100.0
60.01730	0.5
61.98819	0.5
71.01396	3.1
73.02949	4.2
73.03259	0.4
83.01422	1.6
85.02973	1.7
87.04510	0.7
89.02466	1.8
99.28329	0.4
101.02462	4.1
111.00894	0.8
113.02478	1.5
123.04543	0.6
125.38712	0.4
128.03584	1.2
129.01979	0.6
143.03648	0.4
155.07169	0.9
161.02510	1.1
161.04547	0.7
167.03561	1.8
179.03554	0.9
201.75835	0.4
263.07602	0.4
290.53268	0.4
295.05093	0.4
317.69373	0.4
319.23062	0.6
379.21790	0.5
499.29785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24060	0.3
59.01384	100.0
60.01730	0.7
69.22955	1.6
71.01389	3.7
73.02965	1.3
83.01397	0.5
85.02969	1.2
89.02458	0.4
94.79352	0.3
98.21898	0.6
99.00875	0.4
101.02469	2.1
113.02470	1.8
113.92633	0.3
121.02985	1.2
121.48959	0.3
139.01759	0.3
159.03142	0.3
161.04550	2.2
183.73331	0.3
193.01884	0.5
203.66924	0.3
235.17078	0.6
297.04614	0.6
378.22220	0.3
379.21133	0.5
387.03815	0.3
397.22296	6.8
398.22708	0.4
401.09006	0.8
424.21317	0.3
429.05414	0.6
439.23438	3.7
455.03122	1.9
456.03659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	0.7
61.56496	0.3
69.21282	0.2
69.35935	0.6
69.36349	0.8
71.01383	2.0
73.02950	4.3
83.01411	1.1
85.02972	0.5
89.02459	0.5
101.02460	4.9
113.02463	1.4
114.70915	0.3
118.97014	0.3
119.03534	0.4
131.03481	0.3
143.03802	0.4
149.04567	0.4
161.04570	1.2
165.94684	0.3
166.13235	0.2
226.31245	0.3
235.17033	0.4
236.82164	0.3
258.47430	0.3
293.19986	0.3
332.20459	0.3
397.80090	0.3
499.25003	0.4
522.07947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42197	0.3
59.01386	100.0
60.01723	0.7
61.98832	0.5
67.48898	0.3
69.23646	1.9
71.01396	4.8
73.02968	0.7
74.84455	0.4
83.01406	0.7
85.02975	1.4
88.58876	0.4
89.02467	3.6
101.02435	3.6
111.89845	0.4
113.02476	2.3
119.03524	1.5
128.54565	0.4
140.07088	0.3
198.15230	0.4
243.46620	0.3
301.21848	0.8
319.22769	5.1
321.24423	0.7
337.24173	0.7
482.67972	0.8
499.29199	37.9
500.29382	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57819	0.4
56.11501	0.4
59.01384	100.0
60.00320	0.5
60.01716	0.6
61.98835	0.9
71.01398	1.7
73.02951	3.1
81.24914	0.6
83.01392	1.2
85.02972	1.6
89.02470	0.9
98.22648	1.0
101.02437	2.8
113.02484	2.2
119.03493	0.7
131.03505	0.5
133.02998	0.9
135.04567	1.2
161.02522	1.2
161.04601	1.1
179.03555	0.8
217.09991	0.5
295.10037	1.3
499.16229	1.7
499.30951	0.7
499.66733	0.7
518.06506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01768	0.2
55.01887	0.5
56.18190	0.2
57.03449	1.1
58.00589	0.2
59.01383	50.3
60.01725	0.3
61.98839	0.8
69.66418	0.8
71.01387	12.9
72.99316	0.4
73.02966	0.7
75.23849	0.3
77.36082	0.2
83.01403	1.1
85.02961	3.0
87.00860	0.2
89.02451	10.0
90.15123	0.2
95.01398	1.5
99.00875	0.5
99.58784	0.3
101.02451	8.8
113.02458	4.6
119.03512	3.2
121.82851	0.2
161.02466	0.6
174.43312	0.2
179.03555	0.3
221.15642	0.4
259.20822	0.6
301.21741	2.8
319.22791	14.1
320.23157	0.8
321.24393	1.8
337.23788	1.7
476.73239	0.3
499.29169	100.0
500.29523	7.6
508.02679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2917
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
50.98246	0.2
59.01384	6.1
61.10003	0.3
69.32917	1.6
71.01385	1.2
80.48572	0.3
83.01376	0.3
85.02964	0.5
89.02428	0.7
89.29383	0.3
99.00864	0.5
101.02440	0.9
103.00203	0.3
107.98452	0.3
113.02462	0.6
119.03548	0.4
205.12297	1.2
220.14644	0.6
221.15445	1.0
257.58237	0.3
289.21796	0.4
301.21725	1.1
302.01218	0.3
307.22827	0.7
319.22784	37.3
320.23032	2.3
337.23843	11.5
338.24350	0.9
441.19312	0.3
499.29181	100.0
500.29529	8.1
500.36813	0.5
526.63611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2918
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01888	0.3
56.99794	0.1
57.03461	0.6
58.00606	0.3
58.88535	0.1
59.01385	25.5
61.98850	0.2
69.03477	0.2
71.01388	10.8
72.99314	0.4
73.02976	0.6
83.01385	1.0
85.02962	2.8
87.00893	0.3
89.02455	9.0
90.02803	0.2
95.01390	0.8
97.03066	0.1
99.00915	0.3
101.02451	7.8
102.48960	0.1
104.48102	0.1
113.02463	4.2
113.03274	0.2
119.03517	2.6
124.01671	0.4
125.02470	0.8
128.25543	0.1
133.02983	0.3
135.04552	0.2
145.02975	0.2
149.99646	0.5
161.02457	0.5
168.00677	1.0
173.04591	0.1
179.03493	0.2
205.12350	0.1
221.15494	0.3
231.17473	0.2
259.20645	0.6
280.36530	0.1
301.21817	2.7
319.22787	12.1
320.23160	0.7
321.24353	2.1
337.23804	1.6
499.29169	100.0
500.29507	7.8
521.13086	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03452	0.8
59.01384	29.2
61.98837	0.6
71.01387	11.2
72.01710	0.3
72.99313	0.5
73.02964	0.5
80.96630	0.2
83.01422	1.1
85.02950	3.4
88.82215	0.2
89.02458	9.2
95.01411	0.9
98.21807	0.4
99.00914	0.4
101.02451	7.5
113.02469	3.8
119.03519	3.0
121.73906	0.2
133.02960	0.4
148.87613	0.2
156.95406	0.2
161.02458	0.6
162.71780	0.2
179.03595	0.3
185.02458	0.2
213.32193	0.2
221.15358	0.3
223.13213	0.2
253.53964	0.2
259.20703	0.8
301.21701	2.4
302.22250	0.3
319.22803	12.5
320.23190	0.9
321.24393	2.0
328.53964	0.2
337.23950	1.8
339.52151	0.2
482.68039	0.3
499.29181	100.0
500.22360	0.5
500.29544	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	500.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.3
61.98835	100.0
69.38068	1.4
69.38462	4.0
71.01391	1.5
78.91901	5.1
80.50957	0.8
85.02975	0.9
135.04472	0.9
145.02907	1.2
161.02484	2.4
174.01897	0.8
179.03542	1.3
188.97549	0.9
267.66736	0.9
271.12228	0.8
501.15219	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	500.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
61.98835	100.0
66.32867	0.7
69.14188	5.1
71.01406	1.0
85.02978	1.7
95.09104	0.7
128.05289	0.7
130.08763	1.5
245.30031	0.7
493.51413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80696	4.6
56.70883	4.6
57.03445	4.3
59.01382	100.0
61.98829	47.7
71.01378	19.9
73.02945	16.5
74.99106	22.1
81.08054	4.1
82.40372	4.1
83.01395	6.7
85.02938	21.5
87.00954	6.4
89.02496	9.4
90.31809	4.1
98.22705	10.9
99.00891	5.4
101.02444	15.2
113.02456	20.0
116.92871	11.2
118.98094	40.2
120.01270	11.5
120.99660	4.7
133.02994	10.2
135.04546	13.6
136.99162	19.8
156.00589	4.5
161.02463	14.1
161.04578	11.2
178.39490	4.9
179.03513	14.3
256.04404	6.0
259.09775	14.4
259.47571	4.9
330.06290	11.6
501.23212	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	500.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80696	4.6
56.70883	4.6
57.03445	4.3
59.01382	100.0
61.98829	47.7
71.01378	19.9
73.02945	16.5
74.99106	22.1
81.08054	4.1
82.40372	4.1
83.01395	6.7
85.02938	21.5
87.00954	6.4
89.02496	9.4
90.31809	4.1
98.22705	10.9
99.00891	5.4
101.02444	15.2
113.02456	20.0
116.92871	11.2
118.98094	40.2
120.01270	11.5
120.99660	4.7
133.02994	10.2
135.04546	13.6
136.99162	19.8
156.00589	4.5
161.02463	14.1
161.04578	11.2
178.39490	4.9
179.03513	14.3
256.04404	6.0
259.09775	14.4
259.47571	4.9
330.06290	11.6
501.23212	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	500.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
59.61303	1.9
61.98807	2.3
77.20615	1.6
83.89105	1.7
84.00933	2.7
87.93963	1.5
96.96025	1.9
119.67035	1.7
134.58002	1.7
142.09560	1.7
145.23422	1.8
150.15248	1.8
171.10318	11.8
205.48817	2.1
239.00224	2.1
242.34590	1.9
249.01337	1.8
277.21866	13.2
295.22806	100.0
296.23108	5.6
353.79642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	92.4
60.01709	0.8
62.59703	0.6
66.37500	0.7
66.70570	0.5
68.83228	0.6
69.42865	0.7
69.43198	2.6
72.99311	0.8
98.21938	1.2
107.81245	0.5
114.48388	0.5
132.98199	1.5
134.97093	1.1
157.03578	3.8
159.01506	1.3
169.55563	0.6
174.99266	23.3
192.96112	1.1
201.02567	38.4
202.02654	2.0
217.00314	100.0
218.00716	1.3
247.00116	0.7
250.95186	1.6
292.96259	3.4
334.97208	1.5
335.97174	0.7
343.03842	3.7
359.01489	64.3
360.01688	5.3
416.66815	0.6
500.98642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95683	0.5
57.03463	1.1
59.01385	4.3
60.39337	0.5
61.98842	4.5
67.99815	0.5
71.01392	6.0
73.02949	1.0
78.95909	0.8
85.02960	9.0
87.35078	0.5
88.98841	1.2
89.02445	1.6
89.03981	0.6
95.01390	2.5
101.02482	0.7
113.02467	8.6
117.03481	2.8
128.03575	0.6
128.70422	0.4
132.02220	2.6
133.01401	0.5
133.02983	0.7
134.03754	77.2
135.04012	2.3
143.03506	1.8
149.06105	6.1
156.26367	0.5
160.01672	14.7
161.02446	1.3
161.04573	0.6
175.04012	11.5
176.04524	0.6
178.02733	2.4
179.03516	1.8
193.05072	100.0
194.05408	3.4
221.39632	0.5
259.06085	1.8
341.06854	0.5
441.17868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17431	3.4
52.76893	3.6
61.98837	7.4
69.03470	9.2
70.66652	4.4
76.85577	3.4
80.33121	3.1
81.03450	17.0
83.05020	5.9
93.03461	10.9
95.05035	29.0
97.02959	64.0
107.05038	47.0
109.02941	4.7
111.04492	3.9
121.02981	7.6
125.02444	9.2
131.05055	7.1
131.70770	3.3
133.06596	19.8
145.06593	9.6
147.04532	53.2
147.08162	7.1
149.06049	4.4
159.08136	20.1
161.06114	8.6
169.10240	4.8
171.08220	8.2
173.06094	12.9
173.09718	6.9
183.08177	18.3
185.06044	3.9
185.09760	10.8
187.11296	15.7
197.06084	4.5
197.09753	28.5
198.06897	5.1
199.07689	7.0
201.09218	9.5
211.07643	34.4
212.04785	5.0
213.09222	30.7
215.10773	49.1
217.08705	16.7
223.07687	10.8
225.05594	4.0
225.09171	20.8
227.07179	11.2
229.08755	25.2
231.10301	8.8
241.08723	63.7
243.10286	9.8
245.08165	8.7
253.08699	15.8
255.10199	9.4
259.09763	100.0
263.10956	6.0
265.08810	4.5
271.09708	16.9
273.11243	5.3
291.10275	9.4
303.10214	5.9
318.08951	19.1
355.13571	7.9
373.14343	24.2
382.11835	4.5
400.13174	10.1
412.53073	3.7
418.13843	4.2
453.17117	7.4
483.18115	28.9
501.19431	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	501.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37850	2.2
54.82531	2.1
57.72427	2.5
59.01384	100.0
61.98823	6.2
62.61776	2.0
70.23906	2.2
71.01380	17.7
71.05027	4.0
73.02957	21.7
83.01393	8.4
85.02971	15.7
87.00918	3.0
89.02441	6.3
101.02448	16.4
103.43089	2.1
113.02451	8.2
118.98086	4.9
119.03501	3.3
120.99655	3.7
123.08152	7.2
133.02937	5.4
134.03740	2.9
135.04543	11.2
161.02483	13.1
161.04582	10.9
179.03525	7.6
179.05551	4.4
191.14465	3.7
209.02846	3.0
235.13379	3.2
392.63510	3.0
415.19778	2.7
457.20804	16.9
487.88184	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62955	4.6
57.07352	5.6
59.01383	100.0
69.23579	24.3
71.01392	17.7
73.02949	46.9
83.01390	8.3
85.02978	10.7
85.74372	5.2
87.01785	5.2
87.03281	5.9
89.02474	7.9
101.02446	35.9
113.02480	19.1
118.98155	6.6
161.04579	11.4
174.77037	6.1
187.82959	5.4
321.64056	6.0
451.25610	7.6
500.73944	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	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98833	13.0
65.22289	2.2
71.01386	22.4
73.02567	4.7
73.02950	52.1
78.51113	2.3
83.01405	11.9
84.28096	2.1
85.02965	7.8
89.02444	7.3
93.89584	2.1
95.01389	3.8
98.21911	7.8
101.02454	37.7
113.02449	17.0
115.77452	2.5
119.03515	5.0
123.04546	4.7
131.03528	3.9
133.02931	11.6
134.03772	5.5
135.04576	12.7
139.04027	2.9
148.01677	3.8
149.02469	7.3
150.03236	19.5
151.03885	2.5
161.02512	16.9
161.04556	11.4
174.55185	2.3
179.03513	14.7
182.52005	2.6
214.47600	2.5
227.41443	2.4
235.21387	2.3
310.08774	3.2
376.10828	15.6
376.60971	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	501.2348
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
50.50233	1.3
54.00700	1.2
59.01387	37.0
60.73533	1.2
61.98838	100.0
62.45181	1.3
62.98525	1.8
66.70738	1.3
68.73804	1.3
69.29000	6.5
71.01392	6.9
73.02959	2.9
75.00854	4.2
77.11601	1.4
78.65490	1.6
83.01373	2.0
85.02947	5.6
87.00901	1.5
87.84734	1.4
88.17316	1.4
89.02435	2.8
99.00942	1.7
101.02427	2.9
113.02470	3.4
131.03520	1.7
131.20872	1.4
141.02068	1.4
150.78554	1.3
150.92094	1.3
157.61292	1.4
161.02448	3.5
179.03650	1.4
501.30548	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	501.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96159	0.4
59.01385	100.0
61.98828	2.0
69.57318	1.6
71.01395	1.4
73.02969	0.6
78.91900	0.7
81.37811	0.4
84.27285	0.4
85.02994	1.9
85.03430	0.4
85.54826	0.3
98.21925	0.6
99.00901	0.5
101.02470	0.9
106.64603	0.3
113.02416	0.8
115.92093	0.9
116.92873	4.3
140.04948	0.4
485.40839	0.4
501.11078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2863
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
59.01348	0.9
66.49898	0.7
69.97704	1.7
96.97044	0.8
120.57314	0.8
140.25735	0.9
247.40842	0.7
377.28610	2.1
395.29575	67.8
396.29916	6.5
411.28925	3.1
439.28516	21.7
440.28842	1.6
454.31116	0.8
457.29562	9.7
458.30231	1.6
483.27692	1.0
501.28632	100.0
502.29034	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	501.2866
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
59.01385	19.6
73.02927	0.5
75.00868	2.9
116.92846	0.6
189.12767	0.6
228.89899	0.8
269.04529	1.6
311.69714	0.6
312.25497	0.5
339.12421	0.8
358.97028	0.5
363.23026	0.7
365.24890	1.5
375.26831	2.4
376.27637	0.6
377.28488	1.1
381.27881	1.3
409.23773	2.2
421.27530	4.6
425.27115	6.8
426.27219	1.0
437.26862	0.7
439.28491	1.5
441.26675	0.6
455.28119	2.7
457.29749	1.5
483.27536	14.1
484.28049	1.5
501.28635	100.0
502.28915	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	501.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.93310	0.4
60.01714	0.8
61.98837	0.5
71.01378	3.7
73.02952	1.2
78.95905	1.1
79.04632	0.5
85.02959	1.7
89.02448	1.9
95.01450	0.6
101.02464	2.5
106.73044	0.4
113.02450	4.6
119.03514	1.4
127.69617	0.5
131.03502	0.5
133.75787	0.4
152.99608	2.7
161.04602	1.6
180.91597	0.6
187.84464	0.4
221.06757	0.7
228.87825	0.5
237.73769	0.4
279.23306	89.4
280.23666	4.3
283.24017	0.5
293.24930	2.0
321.24368	1.8
433.23117	0.5
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
59.01390	0.7
60.12768	0.2
61.98834	100.0
64.05108	0.3
78.95967	0.3
121.02998	0.4
152.99518	0.4
187.59782	0.2
263.27676	0.3
277.21814	0.5
354.25845	0.2
502.28375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85479	2.0
55.55269	2.2
59.01384	100.0
61.98822	2.2
69.12672	15.1
71.01391	18.4
72.63480	2.0
73.02943	6.2
74.47484	2.1
75.00888	2.4
75.79413	3.1
77.83733	2.0
78.01340	2.4
85.02963	9.2
89.02431	6.1
97.01897	2.3
98.22691	4.2
100.84856	2.2
101.02441	10.6
108.34307	2.1
113.02428	6.8
115.00342	4.2
133.03020	11.3
134.59096	2.3
135.04535	7.4
142.94633	2.1
143.13283	2.4
161.02448	21.3
161.04475	3.2
162.02885	2.5
179.03528	13.8
181.94507	2.1
225.14879	11.6
341.10095	3.0
343.11148	5.2
350.15970	5.0
385.77631	2.7
387.20190	21.5
399.23834	38.1
417.24921	20.1
453.37744	2.6
459.26398	4.1
481.15076	16.3
481.65509	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	502.2937
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
59.01385	1.1
62.96402	0.2
71.01396	0.4
78.95911	30.6
83.05032	0.3
89.10848	0.1
96.96975	0.3
111.84734	0.1
116.54736	0.1
122.98531	0.3
127.07676	0.2
134.98602	0.2
141.09328	0.1
141.99643	0.1
152.99614	3.1
168.04337	4.1
182.13176	0.1
193.35652	0.1
194.05870	0.2
205.19524	0.1
217.92908	0.1
220.40997	0.1
224.06949	11.2
225.07355	0.2
233.22774	0.4
234.12550	0.1
242.08009	2.6
259.20688	0.3
274.92081	0.1
275.20142	0.3
277.21744	100.0
278.22079	5.8
288.14117	0.1
413.20816	0.1
427.82654	0.1
444.59888	0.1
502.29425	19.6
503.29816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21236	0.1
54.30013	0.1
56.19025	0.1
59.01381	1.0
65.09186	0.1
71.01402	0.3
71.39632	0.1
78.58182	0.1
78.95911	7.6
81.77790	0.1
83.05034	0.2
95.76871	0.1
97.06580	0.1
104.54987	0.1
113.06067	0.1
122.45020	0.1
127.07672	0.2
141.09251	0.1
152.99585	0.8
168.04344	1.7
171.00717	0.1
182.13144	0.1
199.89885	0.1
205.19687	0.1
224.06958	1.3
233.15521	0.1
233.22853	0.4
242.08012	3.2
247.82573	0.1
259.20618	0.4
275.20193	0.4
277.21738	100.0
278.22067	5.7
286.72040	0.1
502.29413	6.2
503.29761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98327	0.3
59.01390	1.8
69.36037	0.7
69.36425	0.7
71.01397	0.7
72.99343	0.4
74.95995	0.3
84.93861	2.1
96.96000	0.6
98.95499	0.4
99.00851	0.4
99.92593	13.2
100.92698	0.7
100.93371	19.5
101.93380	0.5
103.00391	0.9
114.94926	0.5
115.92086	17.6
116.92869	100.0
117.92879	3.5
124.93386	0.5
126.94939	1.1
128.92842	0.9
132.92358	0.4
140.92908	0.8
141.93701	1.5
142.94426	3.3
150.94925	0.3
154.94447	2.9
155.10789	0.8
156.92332	1.1
158.93933	1.5
170.93925	1.5
173.92590	0.4
174.93413	0.6
184.91840	2.7
184.95485	1.1
185.92638	0.9
186.93349	1.6
196.95520	0.8
212.94992	3.5
224.94978	1.4
228.98074	0.6
242.93579	0.4
242.96054	7.1
243.96552	0.7
255.03378	0.5
260.97079	0.7
271.02914	0.5
283.96201	0.4
284.97034	1.2
288.59448	0.3
302.98111	2.1
328.96027	1.3
346.97217	1.7
381.06140	0.5
389.60660	0.3
399.07605	1.6
417.08575	2.6
441.08392	1.6
459.09579	3.7
467.06415	2.5
503.08652	12.9
504.09326	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	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64295	0.3
59.01383	1.5
61.98834	0.5
65.00323	0.5
66.65501	0.4
69.62663	0.7
69.63009	1.1
71.01396	1.7
73.02959	0.8
83.01381	0.4
85.02944	0.8
89.02466	0.6
101.02450	0.6
107.05035	1.1
113.49828	0.4
117.03525	0.6
125.02454	0.4
132.02245	0.4
133.02957	7.7
134.03769	4.2
135.04533	98.0
136.04860	2.7
147.04521	0.4
149.06079	0.4
151.00372	1.4
161.02454	24.7
162.02795	1.0
175.04030	1.3
177.05600	1.6
179.03506	100.0
180.03822	3.0
188.03552	0.4
203.03508	8.6
204.03648	0.4
221.04593	1.1
241.01428	0.5
270.01700	0.5
271.02408	0.7
288.64078	0.4
295.02457	0.6
299.02032	1.8
311.10437	2.2
323.07697	13.1
324.07944	0.7
340.02444	0.4
341.02991	2.9
341.08865	3.8
355.09314	1.1
387.12051	2.6
408.53705	0.4
503.12967	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	503.1201
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.34292	1.0
59.01386	4.0
70.68357	1.3
71.01386	1.8
77.42608	1.0
89.02458	1.1
101.02431	1.5
124.67489	1.1
127.62991	1.1
132.02209	2.5
132.48672	1.0
133.01933	1.3
133.02962	34.5
134.03741	2.9
135.04541	48.0
149.06129	6.6
152.42714	1.2
161.02458	100.0
162.02747	2.4
164.14734	1.0
175.04050	1.2
177.05597	13.7
179.03513	52.7
180.03795	1.4
203.03503	2.4
221.02560	1.9
221.04572	23.2
251.05614	28.3
281.06696	35.9
311.16354	1.1
323.07697	6.3
341.08801	40.1
342.08972	1.7
503.12003	14.8
504.12177	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	503.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
69.42042	0.5
71.01390	3.8
73.02959	0.8
83.01411	0.6
85.02972	2.0
89.02458	1.9
93.03446	2.0
95.01357	0.4
99.00905	0.8
101.02435	2.2
107.05038	1.1
108.02212	0.5
109.04153	0.4
111.00874	0.6
113.02464	1.7
115.00412	2.5
116.80917	0.4
117.03459	0.4
119.05037	0.8
123.04527	0.5
130.08759	1.1
132.02191	1.3
133.01411	1.8
133.02968	19.0
134.03787	4.0
135.04538	100.0
136.04875	2.0
137.02390	0.6
139.22302	0.4
141.06726	0.4
149.06113	1.1
154.99782	0.5
161.02457	60.7
162.02859	0.8
163.11320	0.5
167.03496	0.7
173.04567	3.6
175.04015	0.6
177.01878	0.6
177.05560	2.7
179.03514	79.6
180.03860	2.3
181.12399	1.2
183.10223	0.9
185.11841	0.9
191.02014	0.5
203.03551	2.4
221.04543	3.6
225.11336	11.0
237.08850	0.4
251.05611	2.2
263.05573	0.8
281.06570	1.7
296.07880	0.5
311.10373	1.5
323.07733	34.6
324.07962	1.4
341.08777	10.7
355.09384	0.9
387.11575	1.4
387.16660	1.4
387.23935	0.6
502.26675	1.2
503.11874	17.8
503.18008	1.4
504.12350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
66.04970	0.6
70.54000	1.4
71.01405	2.4
83.01500	0.7
85.02959	0.8
89.02469	2.7
96.96786	0.6
101.02468	1.9
101.40583	0.7
109.02997	0.8
114.04379	0.6
117.03489	0.9
123.18091	0.6
132.02194	2.4
133.02963	22.9
134.03705	1.1
135.04536	65.8
136.04878	1.5
149.06099	0.8
160.01669	2.3
161.02455	100.0
162.02748	3.9
177.05551	2.7
179.03505	85.8
180.03841	3.2
203.03520	1.8
221.04485	2.1
225.92889	0.6
236.10812	0.6
266.66644	0.6
281.06638	1.1
323.07758	5.7
341.08783	68.8
342.09164	3.6
503.06952	0.9
503.14069	15.1
504.14734	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01381	5.4
69.09011	0.5
69.09409	1.7
71.01018	0.5
71.01385	5.0
73.02950	0.4
83.01391	0.6
85.02962	4.3
87.00890	0.5
89.02452	2.9
95.01402	1.6
98.21902	0.7
101.02428	2.5
105.03476	0.6
107.16928	0.3
107.78190	0.3
109.02966	0.4
113.02457	6.6
115.01912	0.3
116.33559	0.3
117.03446	0.4
119.03479	0.7
119.04993	0.5
121.02950	0.4
129.04205	0.5
131.03528	0.6
131.26288	0.3
132.02184	1.5
132.54735	0.3
133.02968	24.7
134.03458	0.5
135.04532	14.5
137.02422	0.4
143.03508	0.4
147.04504	0.3
149.06099	0.4
161.02455	100.0
162.02814	3.1
175.03922	0.4
177.05566	0.8
179.03505	21.6
179.05562	1.1
180.03873	0.7
181.42834	0.4
189.05598	0.3
197.04579	0.9
203.03529	1.4
217.05023	0.4
221.04564	1.5
221.06743	1.0
233.04581	1.1
245.04536	4.6
251.05573	2.1
281.06732	1.5
281.13779	0.6
305.06677	0.7
323.07736	5.4
324.07971	0.4
341.08603	2.2
383.09909	2.0
395.09821	0.5
455.05280	0.4
461.16644	0.4
503.14139	9.5
504.14600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01126	0.4
59.01387	4.4
69.46730	1.3
71.01383	2.2
85.02975	0.5
87.00880	0.3
89.02454	2.2
101.02456	1.2
105.03459	0.4
108.81981	0.3
113.02459	0.8
119.03535	0.7
132.02196	0.8
133.02966	19.2
134.03537	0.3
135.03493	0.6
135.04538	11.5
147.49786	0.3
149.06088	0.7
161.02458	100.0
162.02811	3.3
175.04085	0.4
177.05586	1.9
179.03516	23.2
180.03816	0.7
203.03493	2.6
221.04726	1.6
221.06516	0.5
245.04390	0.4
251.05611	0.4
281.06659	1.3
331.37296	0.3
341.08795	45.5
342.09164	2.4
452.69705	0.3
503.13986	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	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53354	0.4
59.01126	0.5
59.01387	6.2
70.07629	0.5
70.69222	0.8
71.01384	4.4
73.02942	0.8
75.51254	0.5
85.02940	0.9
87.00881	1.0
89.02453	4.0
98.21947	0.5
101.02440	3.2
105.03471	0.9
107.04995	0.5
107.63631	0.5
113.02459	1.8
117.03436	0.5
119.03562	0.9
129.04189	0.6
131.03499	0.7
132.02179	2.0
133.02969	31.3
134.03279	1.2
135.04538	20.1
136.04865	0.7
149.06071	1.0
161.02454	100.0
162.02832	2.8
175.04034	0.8
177.05548	1.5
179.03511	31.8
179.05527	1.4
180.03711	0.8
203.03555	4.2
221.04541	1.4
221.06676	1.7
246.77489	0.5
281.06659	0.6
290.82086	0.4
341.08850	3.9
344.61389	0.5
351.70428	0.5
383.09964	1.1
443.11880	1.7
503.14053	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	503.1622
Annotation	Raffinose
Peak:m/z	Relative Intensity
55.01875	1.8
57.03466	1.4
58.00592	1.2
59.01384	100.0
69.03445	1.0
70.51994	1.6
71.01390	69.4
72.99312	2.2
73.02952	9.5
75.00874	1.6
79.95628	0.9
81.19069	0.9
81.45506	1.0
83.01398	3.2
85.02953	14.6
87.00887	19.8
88.69538	0.9
89.02454	82.8
95.01413	4.0
95.27555	1.1
97.02964	2.8
99.00890	1.6
101.02452	47.6
107.03507	1.6
113.02465	26.6
119.02693	1.2
119.03523	16.6
121.52669	1.1
125.02467	4.4
127.37913	1.0
131.03503	5.6
133.02896	4.9
135.04546	3.3
141.01971	1.4
143.03505	11.0
149.04611	2.8
160.06178	2.2
161.02472	18.3
161.04556	18.6
179.03621	5.8
179.05629	92.2
180.06033	1.3
203.03496	1.4
221.06682	52.4
222.07047	2.0
244.64142	1.0
281.08817	4.3
323.09973	7.8
341.10898	3.2
370.66577	1.0
383.11908	1.5
503.16220	45.9
504.16599	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	503.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71217	0.8
55.01870	1.8
57.03467	1.1
58.00599	1.6
59.01383	100.0
69.03453	1.0
69.68134	2.0
70.74018	0.7
71.01386	69.7
72.01736	0.8
72.99299	1.4
73.02947	9.9
75.00888	1.5
77.98981	0.7
81.03456	1.1
83.01390	3.7
85.02949	11.1
87.00876	21.3
87.08444	0.8
89.02449	82.9
90.02760	1.0
95.01421	4.3
97.02941	3.5
98.22606	0.9
99.00900	1.7
101.02450	45.0
102.22607	0.8
105.08404	0.7
111.00870	0.9
112.66109	0.7
113.02457	26.1
115.04007	1.5
119.03516	14.7
125.02457	4.4
127.68272	0.8
129.01930	1.1
131.03497	5.0
141.01988	1.6
143.03522	7.9
149.04567	2.6
150.74225	0.8
161.04572	18.0
179.05623	84.2
180.05975	1.4
221.06670	49.5
222.06967	1.1
263.07715	1.4
281.08762	4.2
323.09854	6.2
341.10846	4.4
503.16211	41.9
504.16376	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23616	1.9
50.68663	2.0
55.01885	2.4
57.03436	3.1
59.01384	98.4
60.40810	1.6
61.98812	4.7
64.97395	1.7
70.68832	3.2
71.01387	81.0
72.99299	2.9
73.02943	17.1
78.95911	24.4
83.01390	10.4
85.02956	28.4
87.00903	10.7
89.02457	58.1
95.01389	7.8
96.96990	9.6
97.02950	5.1
99.00908	3.1
100.67809	1.8
101.01804	4.2
101.02453	52.9
113.02470	47.2
113.03259	2.1
119.03526	15.2
119.05042	17.7
125.02470	6.2
126.58549	1.9
131.03528	6.9
133.02953	5.0
135.04524	8.1
137.06110	12.8
139.04311	1.9
143.03499	12.3
145.06126	2.5
148.53458	1.9
149.04579	4.5
159.03027	2.6
161.02473	5.0
161.04584	18.3
179.03455	5.8
179.05649	38.0
179.07188	3.2
195.62653	1.9
203.05661	2.2
221.06703	31.3
263.07678	6.1
281.10318	5.6
299.11411	16.6
341.12363	4.4
358.09238	2.4
359.08829	10.9
384.12439	2.0
415.63266	2.2
443.15674	30.2
461.16660	100.0
462.16821	5.3
503.17764	15.1
504.17117	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	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03444	2.3
59.01386	89.5
61.98813	1.5
65.84982	0.9
69.03462	2.2
69.27834	5.2
71.01388	52.5
72.99304	1.7
73.02943	15.1
75.00843	1.0
81.03477	1.0
83.01393	7.5
85.02955	20.9
87.00899	7.4
89.02451	43.1
92.09893	0.9
95.01395	7.7
97.02976	2.7
99.00897	3.1
101.02451	42.6
111.00903	1.3
113.02464	37.9
119.03530	17.5
119.05027	21.0
125.02437	4.3
131.03522	7.9
135.04507	2.9
137.06084	12.6
143.03531	8.8
149.04541	2.7
159.02983	1.3
161.04594	15.4
179.03482	1.0
179.03978	1.2
179.05641	16.4
182.32675	1.0
203.05641	6.2
221.06674	18.1
233.08145	2.5
243.46190	1.1
245.06609	1.3
263.07745	11.3
281.10416	1.3
299.11380	18.7
305.08823	1.7
341.12463	2.6
373.18811	1.0
420.34525	1.0
425.14221	1.3
443.15558	41.5
444.15930	2.6
461.16690	100.0
462.17133	5.9
497.64276	1.0
503.17783	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	503.1776
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
51.15654	0.8
55.01883	3.5
56.27779	0.9
57.03451	2.7
59.01386	100.0
69.03465	1.5
69.45545	4.1
71.01390	65.6
72.99316	1.3
73.02950	26.8
75.00864	2.3
83.01390	12.2
85.02547	0.6
85.02958	27.0
87.00891	9.4
89.02453	41.6
95.01359	4.6
96.96030	6.0
97.02957	1.3
99.00887	5.5
101.02453	51.6
109.02965	1.0
111.00935	1.1
113.02466	36.2
119.03538	18.5
119.05029	26.6
121.02987	2.7
125.02410	4.4
129.01973	1.4
131.03506	10.6
133.02979	1.6
135.04518	1.4
137.06116	12.7
143.03528	7.1
146.84088	0.8
149.04605	4.6
153.05550	1.6
159.03030	1.4
160.01741	1.0
161.02533	2.2
161.04575	21.6
175.04027	1.2
179.03447	1.7
179.05638	24.9
195.06705	1.0
197.04607	3.7
203.05649	1.5
221.06683	34.6
222.07030	1.2
233.08153	1.6
263.07611	5.3
281.10361	23.1
282.10727	2.4
299.11371	14.0
302.39621	1.0
341.12430	21.1
342.13049	1.5
380.74948	1.0
387.16623	3.4
443.15759	6.9
444.16470	1.0
461.16714	42.9
462.16776	2.2
503.17792	40.0
504.18179	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	503.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65286	2.4
59.01387	39.6
61.98842	6.6
69.15130	18.6
71.01374	3.0
73.02933	2.7
85.02950	3.8
93.56847	2.7
98.02486	8.3
106.50069	2.7
107.05035	100.0
108.04604	3.7
113.02438	4.1
115.92097	4.9
116.92848	9.0
121.02950	9.8
121.06561	17.9
122.03314	3.8
126.05650	3.7
127.52424	2.7
129.07117	42.0
133.06609	5.8
135.04601	3.4
142.94431	3.7
144.94278	2.9
147.08148	31.1
149.06053	10.2
152.03452	3.3
170.04590	3.9
172.05290	3.4
173.06085	53.0
191.07080	18.6
196.02600	19.8
202.01845	5.0
209.09732	3.5
228.07907	3.3
243.10291	5.3
266.94907	2.9
281.11835	98.7
282.12347	5.5
299.12894	81.7
310.48315	2.8
315.32956	3.3
338.24261	3.8
399.92218	2.6
443.16843	3.2
458.33755	5.1
503.01514	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	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98807	4.6
69.41027	7.1
71.01374	10.3
73.02943	6.1
82.95420	13.3
85.02955	6.9
89.02464	5.4
92.24415	2.9
99.51292	2.9
101.02437	5.9
113.02441	10.6
118.53661	2.9
135.04572	4.8
147.16161	2.8
161.02458	6.4
177.31721	3.1
179.03421	4.1
262.74167	3.2
263.81390	3.5
292.39270	3.0
341.08853	3.4
399.23752	8.1
417.25034	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	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.09006	21.7
71.01393	31.7
73.02943	5.2
85.02942	12.0
87.00896	3.7
89.02464	6.8
101.02462	11.2
113.02468	6.9
115.00335	3.4
116.50867	3.5
133.02965	9.1
135.04509	13.2
161.02431	22.2
161.04559	4.3
167.26254	2.7
179.03497	7.0
225.14914	20.8
341.10425	9.7
343.10712	4.1
387.20322	35.3
399.23926	15.4
400.24185	9.8
417.24869	12.4
418.25583	3.6
424.12177	3.7
481.14859	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	503.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54414	0.3
59.01385	100.0
60.01726	0.6
61.98843	0.9
69.81576	0.3
70.05752	0.4
70.06054	0.4
70.50832	0.4
71.01402	0.9
73.02942	0.5
74.20855	0.3
80.91700	0.5
85.02965	0.9
89.02458	0.6
89.03594	0.3
93.72269	0.3
95.48231	0.3
99.00928	0.3
99.95477	0.3
101.02440	0.5
102.46599	0.3
113.02523	0.7
116.98209	0.3
135.04549	0.6
137.09813	0.3
156.51697	0.3
161.02489	0.7
179.03539	0.6
196.09819	0.7
272.56201	0.3
278.86972	0.3
401.25833	1.1
443.26840	0.6
444.24341	0.7
510.98514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.7
61.98818	3.9
67.60975	2.9
69.44519	4.6
69.44936	10.1
71.05035	7.1
80.05091	4.0
82.02994	15.6
83.01382	7.6
83.05026	6.4
84.34219	3.6
85.02946	3.3
90.89464	2.7
92.82639	3.0
96.04566	9.1
98.02491	50.2
98.06101	8.0
98.22652	6.3
103.97350	2.6
107.05054	3.1
108.04565	28.7
120.01235	5.9
124.04034	26.8
126.05631	14.9
127.00395	6.3
142.03340	13.5
142.05075	5.4
152.03549	40.2
168.02992	20.4
170.04582	12.0
183.07761	6.3
186.02335	15.8
196.02530	100.0
202.01801	28.7
214.03510	7.5
225.09367	3.1
227.06752	8.8
228.07947	30.3
230.01259	8.6
243.10312	29.1
248.02267	12.4
486.12161	7.2
504.13599	4.6
521.32098	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	504.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97556	4.3
59.01376	5.3
69.39113	1.9
71.01402	2.0
71.05009	9.4
80.05055	7.9
81.03464	2.6
82.02978	19.4
83.01388	10.6
83.05035	6.4
96.04556	13.1
96.58087	2.2
98.02487	51.5
98.06104	6.8
98.22732	3.0
107.05009	6.4
108.04562	33.6
120.01241	9.1
124.04052	24.6
126.05620	14.0
127.00397	7.4
142.03328	16.1
152.03543	35.5
161.02301	2.7
166.99866	2.1
168.03011	23.0
170.04585	12.8
173.06082	5.0
186.02324	14.4
194.74666	2.3
196.02518	100.0
197.02806	4.4
199.07568	2.2
202.01817	33.5
211.07660	3.2
214.03593	8.5
228.07932	33.8
230.01260	6.6
243.10280	31.6
248.02335	12.3
257.90045	2.0
282.12140	4.1
486.12347	5.7
504.12732	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	504.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47342	1.6
59.01384	28.8
61.98836	5.3
69.29763	9.0
72.69418	1.5
72.85420	1.7
82.95422	4.4
92.55074	1.6
96.00953	2.6
97.06586	4.9
98.02487	100.0
99.00869	3.2
102.05669	2.1
103.04670	1.6
109.06659	1.6
110.02497	16.2
123.04529	1.7
123.08141	3.2
124.04058	46.3
125.09716	4.1
134.03696	1.8
137.09770	2.5
138.05609	3.2
144.06654	3.4
150.02013	17.2
163.07669	6.5
164.08368	2.1
178.05026	2.6
179.03523	2.1
182.04591	2.1
184.06146	14.6
188.51534	1.7
196.06165	7.9
207.13974	2.6
210.07666	8.7
226.29742	1.8
232.11154	2.5
233.11884	13.3
236.05614	4.0
241.12378	2.0
247.13402	7.1
259.13403	7.1
261.14963	18.9
297.15009	4.1
315.16061	5.4
324.27441	1.8
340.15518	25.2
358.16452	8.7
408.18546	1.8
426.19247	41.1
427.19965	3.0
429.17603	2.6
436.18622	2.0
444.20319	43.7
503.33429	2.2
504.22174	2.4
504.34027	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	504.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74600	0.6
58.18469	0.6
61.98833	100.0
66.50362	0.7
69.08956	0.7
69.21545	3.9
71.06806	0.6
98.21849	1.1
104.64853	0.6
110.02464	0.9
163.52780	0.7
188.44412	0.6
278.22061	0.8
279.23157	3.2
348.54883	0.8
376.84845	0.8
449.37497	0.6
456.10068	0.7
496.81299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0992
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01381	0.4
59.52877	0.3
62.30832	0.3
63.02408	0.4
63.04569	0.4
64.70396	0.3
65.00333	1.1
83.01402	0.8
84.46918	0.3
85.02979	0.8
89.02430	0.3
93.03498	0.4
98.21840	0.9
107.01399	2.2
108.02200	1.3
109.02976	1.4
119.05015	0.7
121.02958	2.8
123.00863	0.4
125.34046	0.3
135.00870	0.8
137.02528	0.4
145.02977	2.2
147.04585	0.4
148.01704	2.1
151.00383	8.5
153.05553	1.2
159.04385	0.4
163.00383	2.3
163.04050	1.0
164.01132	0.6
165.01947	0.5
169.01485	0.5
171.04500	0.3
178.99876	4.0
183.04352	0.4
187.04022	0.5
197.04584	3.2
199.03995	0.7
201.02112	0.5
203.03464	0.5
211.04015	1.4
226.02740	1.6
227.03534	3.1
228.04184	0.6
229.05032	0.6
243.03018	9.8
244.03693	0.6
245.04544	1.4
252.31287	0.4
254.02220	2.0
255.02995	24.3
256.03427	1.5
271.02493	53.1
272.03024	3.1
273.04041	1.0
282.86020	0.4
283.02399	0.9
299.02005	1.4
300.02768	100.0
301.03516	43.8
301.07129	0.8
302.03949	1.7
307.08179	0.4
343.04361	0.6
359.09821	0.5
379.65805	0.4
389.17978	0.7
463.08884	3.8
505.09927	57.6
506.10196	5.3
506.17056	0.5
520.35583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94215	0.4
59.01391	0.5
61.70269	0.4
69.97369	0.9
121.02964	100.0
122.03298	2.1
181.06598	3.3
197.06097	3.3
207.04530	1.6
225.05615	1.7
257.09766	1.0
263.17145	0.5
313.07175	4.4
343.26633	0.4
357.06274	0.8
373.10812	1.1
383.07672	1.0
389.10651	0.5
417.09830	9.6
418.10385	0.6
433.09308	0.5
505.11441	7.5
506.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04457	1.3
58.46543	1.5
59.01378	5.1
65.04822	1.4
69.15105	6.4
71.01382	17.6
73.02943	2.2
79.82494	1.4
83.67877	1.3
85.02964	8.6
89.02482	1.3
93.03457	1.8
98.22761	2.2
113.02423	1.3
115.00382	12.3
118.98395	1.4
121.02958	2.7
122.03777	7.1
123.04538	4.5
124.04039	1.9
129.01947	2.2
133.02930	2.8
134.03757	65.9
135.04462	1.7
137.02444	2.6
138.53575	1.3
140.96497	1.2
145.03008	2.0
149.02483	10.1
149.06075	12.7
150.03239	55.4
151.04039	15.6
159.03001	2.3
161.02451	3.0
164.04764	2.9
165.05585	62.4
166.05911	1.6
167.03502	1.3
178.02736	20.8
179.03452	2.3
180.04329	4.7
181.05067	15.1
191.02017	1.9
193.05080	100.0
194.05418	2.3
195.06671	27.5
341.10339	2.3
385.85883	1.4
389.12469	54.7
389.18085	4.1
390.12662	4.4
408.93399	1.6
425.34439	1.3
458.63202	1.4
505.26837	1.6
510.16769	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	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01369	2.7
69.09001	7.0
71.01029	1.2
71.01393	17.7
85.02964	10.9
90.86034	1.0
93.03451	3.2
111.00890	1.3
115.00372	13.8
117.03467	1.3
121.02982	4.2
122.03771	8.3
123.04546	3.8
129.01968	1.6
133.02948	3.4
134.03755	73.0
135.04471	1.5
137.02454	3.2
139.03952	0.9
145.02995	1.2
147.02954	1.5
149.02444	11.4
149.06116	13.5
150.03239	65.1
151.04039	19.3
161.02501	1.3
164.04822	2.8
165.05585	69.7
166.05951	1.4
167.03525	1.4
178.02730	22.4
180.04277	6.0
181.03616	1.8
181.05077	18.8
189.32335	0.9
191.01917	1.3
193.05077	100.0
194.05394	3.1
195.06644	32.5
196.07002	1.8
197.04674	1.1
218.55360	1.1
271.64194	1.0
282.08936	1.5
340.22623	1.3
341.10257	3.3
389.12466	62.3
389.17731	3.2
390.12857	6.6
402.72900	0.9
465.24579	1.1
521.61456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.2
61.98846	6.0
71.01382	21.4
72.42120	0.9
79.41189	1.1
82.31575	1.0
84.48766	1.0
85.02943	2.4
85.10063	1.0
88.98813	4.2
89.02451	6.7
93.03456	2.7
93.92182	1.2
98.21819	2.4
101.02476	1.4
105.03448	1.2
115.00380	8.9
121.02940	3.0
122.03751	6.5
129.01994	1.2
130.58545	1.0
133.01443	7.2
133.02995	2.0
134.03751	43.3
135.04587	1.7
137.02440	4.4
139.90388	1.1
149.02470	8.9
149.06081	9.7
150.03233	44.1
161.02426	1.5
164.04828	1.4
165.05579	53.0
169.85875	0.9
178.02722	23.1
179.03387	1.7
180.04219	3.0
181.04999	1.2
193.05066	100.0
194.05399	4.5
195.06641	45.2
196.06859	1.5
228.93317	1.6
282.83762	1.1
341.10284	3.2
389.12372	2.0
399.16812	1.7
516.16949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63181	1.2
59.01373	3.7
64.92748	1.3
65.30449	1.3
69.52584	3.7
71.01019	2.5
71.01387	25.6
85.02959	5.9
93.03454	1.6
115.00387	13.6
115.07011	1.3
116.41201	1.3
121.02952	11.7
122.03764	5.8
129.01920	1.5
131.01532	1.2
133.01428	5.5
133.02969	2.4
134.03755	56.9
135.04506	3.9
137.02522	5.8
149.02458	21.5
149.06097	13.4
150.03241	55.0
161.02448	1.7
164.04791	3.9
165.05574	58.7
166.05962	1.5
167.03465	2.1
178.02728	25.3
179.03197	1.6
180.04286	3.4
193.05070	100.0
194.05348	2.7
195.06638	46.4
221.06047	1.9
239.07216	3.1
244.62335	1.2
250.06429	4.0
263.22095	1.3
267.06741	2.2
282.08923	10.6
325.79575	1.4
341.10324	49.3
342.10648	2.7
389.12518	14.5
389.17728	2.0
450.32681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03432	1.6
59.01385	38.1
59.33479	0.8
61.98830	2.6
62.29209	0.7
69.03464	1.4
71.01389	29.3
71.05009	0.8
71.38636	0.7
72.99296	1.3
73.02955	9.4
75.00878	2.1
77.44743	0.7
78.01096	0.9
81.03470	2.1
83.01398	3.7
85.02956	12.2
86.00066	1.2
87.00870	1.4
89.02454	2.6
93.03462	1.5
95.01401	0.9
97.02954	1.6
99.00888	5.2
99.04537	1.1
101.02451	17.4
106.00629	1.5
109.02952	0.8
111.00896	1.1
113.02460	7.3
115.00388	14.6
117.03456	2.1
119.05039	41.4
120.05396	0.9
121.02963	19.1
123.00920	2.5
125.02448	0.8
129.01921	1.0
131.03525	1.0
133.02939	2.5
134.03769	1.4
135.04584	4.3
136.01656	3.5
137.02478	3.7
138.03221	3.1
143.03532	2.6
145.02972	3.5
151.00407	2.7
151.03984	4.7
153.05591	11.9
159.03038	0.9
159.04494	0.9
161.02504	5.1
161.04555	4.5
163.04025	50.3
164.04362	1.9
166.99861	2.5
177.05519	1.0
179.00024	0.9
179.03522	2.9
179.05573	1.3
181.01486	1.0
182.02197	7.9
185.11888	1.4
191.01950	1.2
191.05701	1.8
193.05067	0.7
197.04572	44.2
198.04872	1.1
202.06413	0.7
211.13492	1.0
227.03571	0.8
243.02994	1.9
255.03033	3.8
271.02512	7.0
284.03171	0.9
285.44687	0.8
297.09732	4.1
300.02744	11.9
301.03561	5.8
303.18018	3.6
329.16165	3.6
341.08740	7.1
343.11911	7.0
347.17136	9.9
359.09781	6.0
389.18192	100.0
390.18527	5.8
425.14557	6.1
447.10022	1.0
505.09711	7.4
505.17477	0.8
505.26440	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	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22182	1.5
54.72187	1.3
57.03456	2.7
59.01383	17.6
61.14814	1.4
61.98847	2.3
70.01745	3.5
70.87984	1.4
71.01389	30.6
72.99313	2.0
73.02966	2.9
77.10976	1.2
83.01409	2.6
85.02955	28.6
87.00895	1.3
89.02466	4.8
93.03475	4.3
95.01399	2.0
96.96033	1.4
97.74069	1.3
98.21958	1.7
99.00900	4.0
101.02467	5.7
107.05022	1.7
109.02944	2.8
111.00889	2.1
113.02478	2.5
115.00391	10.7
117.03471	1.4
121.02964	8.0
122.03751	8.4
123.00915	2.6
125.02469	1.6
125.06078	2.5
129.01935	7.3
133.01440	6.4
133.02979	8.2
134.03748	53.1
135.04527	4.1
137.02452	14.3
143.03496	2.0
147.03023	3.8
149.02472	9.9
149.06105	12.2
150.03256	46.8
151.07635	1.4
157.23430	1.4
161.02380	1.6
164.04794	2.3
165.05585	51.2
177.02016	2.9
178.02715	23.5
179.03445	2.0
179.05583	2.7
180.04330	4.0
181.01355	6.5
191.01961	7.1
193.05078	100.0
194.05441	5.1
195.06636	42.8
197.04550	5.3
209.03088	2.6
217.40219	1.4
225.89999	1.6
250.06419	1.6
267.06656	1.4
282.09024	2.3
341.10391	11.8
389.12616	10.5
407.10892	4.9
469.12280	2.5
504.16278	1.6
506.15689	1.9
528.11407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16306	0.3
57.03446	0.8
59.01385	15.9
65.17400	0.3
69.03452	0.9
71.01391	6.5
71.39067	0.4
71.54487	0.3
72.99310	2.9
73.02955	6.2
78.01115	0.9
80.89180	0.4
83.01378	1.2
85.02956	7.2
86.00122	0.6
87.00883	3.0
87.04513	1.6
89.00330	2.0
89.02447	2.5
91.01920	0.9
96.96000	0.5
97.02945	0.5
99.00896	0.8
101.02446	4.3
103.04005	0.9
106.00603	2.7
106.18781	0.4
109.02965	1.1
111.00869	1.1
113.02472	1.2
115.00353	0.4
115.04030	2.3
119.03503	0.8
121.02966	31.3
122.03335	0.5
123.00887	2.5
125.02445	0.5
127.00388	0.6
127.96780	0.3
129.01917	0.7
131.03519	2.4
133.02980	1.3
134.03740	0.7
135.04596	0.6
136.98862	0.6
137.02461	3.1
138.03241	3.2
139.00392	0.8
139.03993	1.4
143.03497	2.4
145.05011	0.6
147.03008	0.7
150.03233	0.6
153.05589	27.0
154.05986	0.5
155.03506	0.5
161.02470	0.9
163.04126	0.4
163.06163	0.9
165.01912	0.6
165.05615	0.6
166.99904	0.6
173.00961	0.4
178.02707	0.5
181.01476	3.4
182.02267	3.0
191.01942	2.3
193.05087	1.5
195.06630	0.4
196.03773	1.3
197.04561	100.0
198.04936	3.8
199.02359	0.4
205.07162	1.4
205.12340	1.1
209.03040	0.8
211.06233	0.7
223.13406	1.5
224.03340	1.7
239.05615	8.4
241.14442	1.4
317.39240	0.3
341.10388	0.5
354.11328	0.3
360.90079	0.4
399.03131	0.4
445.13867	0.4
489.31442	0.4
505.15189	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	505.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35866	1.3
59.01387	20.3
60.99301	3.9
61.49698	1.6
61.98838	11.9
63.96427	1.5
67.82734	1.6
71.01382	24.2
71.40184	1.8
73.02932	2.2
85.02961	11.9
87.00869	2.9
88.98821	20.8
89.02455	37.4
93.03469	3.5
97.83584	1.5
101.02438	4.3
105.03479	2.3
109.69582	1.5
113.02479	1.8
115.00382	11.3
119.03564	2.6
121.02979	3.6
122.03780	8.6
124.98016	1.6
129.01884	1.9
133.01433	6.5
133.02950	4.5
134.03760	42.4
135.04536	4.4
137.02454	4.7
137.40125	1.6
147.02980	2.0
149.02454	12.0
149.06128	12.1
150.03241	46.9
161.02446	5.5
161.62840	1.6
164.04752	2.2
165.05594	51.5
166.05940	2.6
169.63274	1.6
178.02728	24.0
179.03453	3.5
180.04254	4.7
181.05063	4.2
186.91098	1.7
193.05083	100.0
194.05334	3.8
195.06653	37.7
220.18683	1.7
299.73489	1.6
341.10226	5.3
389.12439	3.8
505.15622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	0.9
59.01378	2.1
61.98825	1.0
65.99037	0.4
70.96254	0.4
70.96590	0.6
74.02483	2.3
82.02986	1.8
84.04552	2.1
85.02940	0.6
86.02489	11.3
86.47251	0.4
88.04051	0.7
96.04572	0.7
99.87153	0.4
100.07701	0.5
102.98611	1.2
107.06192	0.5
109.07710	0.9
119.05119	0.4
120.00417	0.8
120.01265	11.4
127.05135	2.8
127.08788	10.9
128.03552	100.0
128.37920	0.4
129.03912	1.6
135.04520	0.7
144.86124	0.5
145.06108	0.5
147.04497	0.4
150.21812	0.4
153.06723	5.7
161.02455	0.7
170.98097	0.4
171.07767	31.9
172.08035	0.5
179.03406	1.0
179.04718	1.1
197.05702	0.9
200.08435	0.4
213.03415	1.0
215.06702	3.3
228.07961	5.4
231.04468	8.1
243.10338	2.3
249.05516	27.7
250.05902	0.6
299.12921	1.0
450.13379	0.4
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
57.03445	1.0
59.01383	9.8
61.98826	0.5
69.03451	0.6
69.21622	3.2
71.01392	15.0
72.99316	1.1
73.02938	1.3
73.47976	0.5
83.01395	0.7
85.02966	3.6
85.03391	0.6
87.00906	0.6
89.02448	3.5
95.01386	0.8
101.02453	3.1
111.08184	1.1
113.02458	4.9
115.00381	14.0
119.03502	1.2
119.05039	0.9
121.02937	0.8
128.33658	0.6
133.01434	14.3
133.02975	0.9
134.03714	1.1
135.04521	1.6
137.02461	0.8
143.03539	0.7
160.33131	0.5
161.02472	1.4
161.04597	1.9
163.04015	0.6
165.12859	22.6
166.13217	0.7
170.67198	0.6
179.03517	1.1
183.13913	60.5
184.14252	2.7
187.13521	1.1
197.04590	1.5
207.13925	1.9
209.11841	1.8
227.12921	100.0
228.13307	4.2
251.12891	4.4
269.13983	1.6
281.13913	0.6
293.14050	0.8
299.15085	0.7
329.15970	1.3
389.13495	1.0
389.18274	14.3
389.25284	2.0
390.18311	0.6
463.25800	0.8
464.41138	0.6
505.26749	2.5
506.17255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01414	0.2
51.66410	0.2
55.01882	1.3
57.03449	1.3
58.78842	0.3
59.01385	32.3
61.98858	0.3
63.16031	0.3
66.71040	0.2
69.03459	0.9
69.39080	1.2
71.01386	27.2
72.50564	0.2
72.99303	0.4
73.02951	7.0
73.03374	0.3
78.01156	0.2
81.03474	0.6
83.01389	3.9
85.02956	9.6
86.00114	0.9
87.00882	0.9
89.00346	0.3
89.02443	1.4
95.01374	1.3
97.02968	0.8
99.00886	2.3
99.04537	0.4
101.02453	14.1
106.89290	0.2
110.64745	0.2
111.00927	0.6
112.01701	0.3
113.02458	6.1
115.00383	14.2
119.05038	9.9
119.05913	0.3
121.02977	2.3
123.00893	0.7
125.02458	0.6
129.01959	0.4
133.01436	0.2
135.04512	0.7
138.03218	0.6
143.03494	1.2
145.02971	0.5
153.05605	2.0
159.03004	0.7
161.02496	0.5
161.04567	2.7
163.04019	11.3
164.04375	0.3
166.99828	0.5
179.03482	0.5
181.01410	0.4
182.02255	2.0
185.11879	2.0
193.69250	0.2
197.04562	6.9
198.04837	0.3
207.09103	0.3
211.13272	0.4
223.68192	0.2
271.02411	0.4
285.17184	0.3
297.09888	1.1
300.02795	0.6
301.03204	0.4
303.18143	4.2
314.32584	0.2
329.16107	3.6
341.08810	1.6
347.17133	10.3
348.17355	0.6
359.09967	0.4
389.18182	100.0
390.18494	6.3
505.10287	0.5
505.19431	1.0
505.26416	0.3
515.95166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97621	7.7
59.01393	45.1
59.15065	8.0
71.41714	7.6
78.95905	16.4
83.37779	9.3
85.02944	9.9
96.96976	14.6
101.02444	11.3
113.02496	9.7
114.50237	9.4
125.09772	14.4
135.04543	11.6
141.65494	9.4
147.10909	8.0
152.46091	8.3
163.11282	13.1
185.11900	13.4
191.14355	14.0
209.11880	67.5
245.19125	29.8
279.88293	10.0
289.18152	100.0
307.19150	79.8
309.10089	13.4
505.22647	13.2
514.86951	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	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55292	0.5
59.01376	1.5
70.07470	1.5
78.95914	12.3
81.93127	0.8
83.05056	0.6
87.33129	0.5
96.96992	0.7
98.22571	0.8
123.12390	0.5
145.93335	0.5
152.99600	19.6
153.88992	0.5
171.00688	2.0
204.61266	0.6
227.03186	2.7
237.39229	0.6
245.04370	1.6
248.43501	0.6
259.20749	0.7
277.21747	100.0
278.22110	5.7
309.19052	0.6
345.22086	0.7
505.25751	26.9
506.26025	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54260	0.8
51.97675	0.7
59.01376	0.9
60.22957	0.8
69.13451	5.1
78.95908	26.2
90.34501	0.7
96.96970	2.5
110.98543	1.5
112.41367	0.8
139.74474	0.7
150.98071	0.8
152.99609	41.1
159.25238	0.7
171.00656	2.5
227.03282	5.3
245.04231	1.0
277.21744	100.0
278.22076	6.9
279.22696	0.9
413.21530	1.3
445.23578	2.1
505.19540	2.1
505.25766	59.2
506.26187	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
59.29212	0.6
62.94149	0.6
68.00997	0.6
69.27087	2.7
69.27500	1.5
78.95910	29.8
80.71496	0.7
87.40762	0.8
91.79757	0.8
96.96997	2.3
110.68506	0.7
122.40170	0.7
148.50021	0.7
152.99602	34.9
168.04324	1.0
168.55260	0.7
171.00728	2.5
225.07539	0.9
227.03291	4.8
245.04399	1.2
277.21765	100.0
278.22171	7.0
279.23392	7.8
280.23672	19.4
445.23727	1.8
505.25644	49.2
506.25778	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	506.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98702	10.8
56.78216	9.7
59.01382	61.4
61.98834	33.7
71.01382	20.6
72.17331	11.1
85.02970	27.8
94.73898	12.1
95.01378	14.1
114.20493	13.3
115.78515	12.0
127.08763	14.2
128.03564	100.0
131.29436	10.0
133.02940	14.8
135.04535	19.4
149.06119	13.5
161.02501	19.9
171.07777	36.7
179.03511	22.1
196.02539	25.4
249.05449	86.5
254.48405	12.5
259.09741	61.3
300.09961	13.0
307.96506	13.2
367.31830	11.9
384.11444	14.0
505.26511	16.0
506.26877	27.6
507.28067	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	506.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04957	0.4
59.01382	6.3
61.98834	100.0
69.37049	1.4
69.37460	0.9
71.01386	2.9
73.02953	1.1
83.01402	0.8
85.02964	2.4
86.10455	0.5
90.06483	0.5
100.58783	0.4
101.02458	1.9
111.06134	0.5
111.83907	0.4
113.02468	1.2
115.00452	0.5
129.88051	0.4
133.02974	1.0
135.04547	1.7
141.19975	0.5
161.02477	2.1
162.02898	0.7
179.03554	1.3
180.70094	0.4
301.03308	0.5
303.18079	0.5
329.16278	0.5
347.17160	1.0
389.18216	7.4
390.18790	1.2
421.31390	0.6
425.14703	0.9
425.65210	0.6
506.17786	0.8
507.20917	4.3
507.28055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73665	0.2
55.23643	0.2
57.63310	0.2
59.01392	1.4
61.98834	100.0
69.97363	0.8
69.97710	0.3
71.01400	0.9
75.36644	0.3
77.96559	0.2
85.02953	0.8
89.02439	0.3
101.02477	0.7
113.02463	0.7
114.38035	0.3
115.00411	0.5
116.61415	0.3
133.01564	0.3
133.02997	0.8
135.04544	1.6
146.03810	0.3
161.02432	2.3
179.03491	2.2
181.37483	0.3
182.55318	0.3
211.87506	0.3
225.61470	0.3
249.24925	0.3
309.02554	0.3
425.14609	0.6
506.17154	4.1
506.27438	0.5
506.67450	1.8
507.18039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41663	0.3
59.01387	2.9
60.22908	0.3
61.98836	100.0
69.28851	0.6
69.29210	1.5
69.63631	0.3
71.01381	1.9
85.02975	0.7
96.39037	0.3
98.21835	0.3
99.00915	0.3
101.02479	0.7
115.00404	1.4
119.05108	0.4
124.01713	0.7
125.02436	0.8
135.04552	0.5
161.02428	0.6
165.09134	0.3
168.00664	1.0
175.04118	0.4
179.03520	0.6
187.13399	2.6
217.28680	0.3
310.14005	0.3
331.06723	0.5
331.17584	1.1
349.18771	4.3
391.19778	9.9
506.16898	0.4
507.11508	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
59.01384	29.0
64.07841	6.2
65.26678	6.8
67.17352	8.1
71.01401	14.6
81.03461	10.1
85.02963	22.0
94.92141	7.2
99.86810	8.0
101.02435	7.9
109.02942	9.1
124.97234	6.7
125.02429	8.8
128.03499	8.8
131.72154	6.8
133.03027	9.6
134.03813	8.1
135.04549	28.8
137.06111	10.3
149.06119	35.7
161.02452	28.5
177.05602	16.9
179.03528	19.2
183.07889	9.2
191.02036	9.9
196.02586	15.0
198.18126	6.3
227.07021	9.0
243.06569	20.4
258.08954	100.0
259.09744	85.4
342.91174	6.7
463.16116	14.3
507.27899	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	507.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.2
59.01396	32.9
61.98816	6.5
69.14220	28.5
71.01395	17.4
73.02955	6.6
80.36848	5.6
81.03528	6.2
81.92162	6.0
82.03006	7.8
85.02956	36.3
86.02473	8.6
98.02499	8.3
98.22615	13.4
100.63280	5.3
109.03004	6.9
119.58836	5.6
120.01296	8.7
124.04094	8.1
127.08807	12.9
128.03551	100.0
133.03043	6.5
135.04541	13.1
149.06079	10.9
161.02431	12.2
171.07785	20.5
179.03513	17.4
191.02051	8.1
196.02519	31.3
202.01767	6.4
207.05644	5.7
214.03490	7.5
217.68283	5.6
230.01349	6.1
231.04442	8.3
244.07303	9.4
248.02409	13.3
249.05479	74.2
258.09036	13.3
259.09677	22.4
507.28104	37.2
528.65942	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	507.1717
Annotation	Ulmoside
Peak:m/z	Relative Intensity
55.01880	4.7
57.03453	11.4
58.00594	1.9
59.01384	96.5
69.03468	4.3
71.01387	84.7
72.99326	3.8
73.02961	11.7
75.81802	1.8
77.82417	1.6
81.03458	10.5
83.01402	11.4
83.01844	1.4
83.05049	5.5
84.02165	3.9
85.02958	81.6
87.00867	7.7
89.02450	62.1
93.03462	3.9
95.01392	15.6
95.05058	4.5
97.02956	17.0
99.00891	13.6
99.04512	9.2
101.02448	57.6
107.01406	3.8
109.02978	3.2
109.06622	2.2
111.04533	23.8
113.02461	100.0
114.02782	2.3
119.03499	20.6
121.03009	9.7
121.06574	2.6
123.04552	4.3
124.01676	6.4
125.02462	7.7
125.06115	2.4
127.05150	1.6
131.03490	5.2
135.04562	2.5
137.02486	2.7
137.06091	15.1
139.04036	28.8
143.03519	12.9
145.06209	7.4
145.09891	4.5
153.05643	2.1
155.07162	2.0
161.04584	44.8
161.05862	1.7
162.89381	4.9
165.05576	23.8
166.99817	1.8
168.00639	9.6
179.05649	21.7
183.01402	1.7
183.03035	36.6
183.06635	54.1
198.07394	1.8
209.03082	2.9
210.01611	2.2
221.06712	4.8
225.04056	7.5
243.29013	1.8
323.09848	54.3
345.08240	33.0
345.11984	3.2
387.08301	1.7
467.96237	1.8
471.01254	1.7
507.00858	2.1
507.17941	29.2
508.17834	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	507.1715
Annotation	Ulmoside
Peak:m/z	Relative Intensity
55.01867	1.0
57.03451	2.5
58.00631	0.8
58.20154	0.6
59.01384	82.9
60.01701	0.7
62.17278	0.6
68.99826	13.4
69.03452	2.8
70.08233	1.3
71.01388	58.4
72.99312	1.4
73.02952	8.6
75.00866	0.7
81.03459	5.4
83.01424	3.0
85.02957	100.0
86.03305	0.7
87.00880	6.1
89.02453	72.2
93.03472	1.2
93.07110	0.6
95.01392	5.4
95.05041	8.8
97.02964	11.2
99.00880	2.2
99.68592	0.6
101.02452	45.1
109.02930	1.2
109.06583	2.6
111.00897	0.8
111.04539	3.4
113.02460	25.5
113.06049	1.9
115.04052	0.8
119.03521	19.8
119.04994	1.8
120.83640	0.6
121.02976	5.0
121.06602	13.0
122.02928	0.8
122.03761	13.9
123.04565	6.0
124.01653	4.1
125.02467	9.7
125.87303	1.1
127.87006	1.7
131.03496	5.3
135.04512	1.7
137.06096	31.3
139.04028	29.5
141.01900	0.9
142.87555	1.0
143.03526	10.3
144.87233	1.3
147.04532	4.2
148.90874	0.6
149.04549	2.5
150.03217	1.6
161.04575	15.5
162.97781	0.8
165.05583	72.0
166.05847	2.2
167.03482	0.8
179.05623	52.9
180.05803	0.8
183.06636	23.9
221.06677	39.1
222.06854	0.9
263.07617	1.4
281.08963	0.9
296.61017	0.7
323.09866	4.5
341.10632	0.6
469.97729	1.7
470.98297	2.4
471.98279	3.1
507.17236	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	507.1722
Annotation	Ulmoside
Peak:m/z	Relative Intensity
55.01883	2.4
55.77967	0.9
57.03458	4.2
59.01385	57.0
61.98835	7.3
65.17803	0.8
68.99818	7.9
69.03468	1.4
70.39514	1.3
70.39848	1.6
71.01388	58.1
72.99334	1.3
73.02958	5.9
75.00870	1.2
83.01379	6.0
84.02184	1.4
85.02958	100.0
87.00877	3.5
89.02453	39.4
90.05463	1.0
92.77483	0.9
95.01395	15.7
95.05024	3.0
97.02958	4.0
99.00910	4.2
101.02457	28.6
107.04936	0.9
109.06567	1.7
111.04536	1.6
113.02464	94.6
114.02808	2.0
119.03507	13.2
119.04977	1.5
121.03004	1.5
121.06626	7.0
122.03757	7.3
123.04556	1.4
124.01669	1.8
125.02441	3.7
129.01982	1.1
131.03493	2.9
135.04512	1.7
137.02434	1.3
137.06107	24.8
139.04016	11.4
143.03517	10.2
145.01425	1.3
147.03000	1.1
147.04533	1.2
149.04553	1.7
155.10785	1.5
161.04581	34.1
161.58784	1.0
165.05586	45.1
166.05881	1.1
179.05649	14.4
179.07167	1.4
180.06052	0.9
183.06635	11.9
185.03699	0.9
189.05685	0.9
191.01952	4.3
199.09903	2.3
221.06796	1.2
298.61182	0.8
323.09866	15.4
345.11810	4.1
391.12375	2.4
432.32513	1.0
507.17154	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	507.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
59.01382	74.1
60.61837	1.0
61.98825	1.6
69.03472	2.3
69.12030	3.0
69.12438	4.3
71.01386	33.7
72.99318	4.7
73.02945	4.6
83.01367	1.6
85.02960	11.4
87.00874	2.1
89.02452	17.2
93.79542	1.1
97.02962	2.4
99.00818	1.0
99.04567	1.2
101.02457	12.6
101.06097	4.1
113.02457	7.1
115.00385	45.2
119.03509	4.6
121.02979	2.2
123.04542	1.5
125.02474	3.7
131.03438	1.5
133.01440	100.0
134.01845	1.1
137.78407	1.0
141.05588	1.9
153.05615	1.3
153.09248	4.3
161.02441	2.8
161.04559	3.5
179.03461	1.2
179.05612	4.3
183.10283	14.8
191.01904	3.2
197.04561	3.3
199.09790	4.5
221.06673	2.0
235.75415	1.2
263.07776	1.4
279.50308	1.1
287.11322	3.7
305.16077	4.4
323.09976	2.5
345.11600	2.0
345.15399	9.1
347.17172	4.9
361.15131	1.7
391.19720	3.5
404.28232	1.4
472.91522	1.3
498.93399	1.3
507.21133	7.7
515.66412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	7.2
59.01388	12.9
61.20081	1.2
61.98808	1.5
69.20422	5.9
71.01375	4.9
73.02956	2.2
74.02480	16.1
82.02354	1.2
82.02974	5.0
83.01373	2.8
84.04561	2.9
85.02956	4.7
86.02477	16.6
87.05668	6.8
89.02446	1.4
96.04534	10.0
97.04057	7.3
98.02486	4.1
99.00877	1.6
99.05635	9.8
101.02446	5.7
107.05045	1.5
108.04572	6.8
109.02972	1.5
109.04070	2.4
110.02431	1.5
110.06071	1.6
112.04061	9.7
112.07684	7.6
113.02475	3.5
113.03578	4.7
120.01289	1.5
122.06133	2.3
124.04012	3.7
125.04809	3.4
126.05586	3.5
127.05145	12.5
127.08775	12.1
127.58576	1.1
128.03552	100.0
129.03896	3.2
131.04672	2.5
137.07190	3.8
140.07195	10.3
143.04623	3.9
152.03522	2.7
153.06673	6.8
155.08278	21.8
161.02402	1.5
161.04556	3.0
161.06119	2.2
165.06726	13.9
166.05080	2.2
171.07762	56.2
177.03384	1.7
181.06158	2.2
183.07767	28.2
186.02240	1.4
215.06715	6.2
227.06764	63.9
227.10692	3.8
228.06845	1.4
245.11679	1.3
261.05515	57.9
262.05798	2.3
291.10779	6.4
315.18039	2.3
378.13815	5.2
402.46851	1.4
437.77780	1.3
447.22681	2.2
465.23291	1.9
507.18121	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88851	1.6
58.02977	9.8
59.01381	19.9
61.98840	3.0
65.06543	1.5
71.01381	3.7
72.69195	1.8
73.02941	2.3
74.02477	16.4
75.20972	1.5
80.05076	2.0
82.03000	3.6
83.01405	5.2
84.04536	1.9
85.02957	4.4
86.02480	2.1
86.06117	2.3
87.05652	6.3
96.04571	11.4
97.04079	11.2
98.02482	5.6
99.05668	16.4
100.00420	3.2
101.02470	6.2
107.05037	8.0
108.04574	9.3
109.02914	2.3
109.04088	1.7
110.02492	3.1
112.04067	13.7
112.07713	9.9
112.51091	1.6
113.02435	3.3
113.03563	4.7
122.06141	3.3
123.00213	1.6
124.04051	8.8
125.04836	5.0
126.04338	2.3
126.05615	5.3
127.05162	12.2
133.06560	2.5
135.04526	2.1
137.07233	6.0
138.05620	3.1
140.07191	18.5
143.04672	2.2
152.03511	4.2
155.08282	28.9
161.02480	2.8
161.06050	2.6
165.06740	17.5
166.05116	2.5
179.03506	2.5
183.07762	50.6
196.02612	2.6
209.05685	2.4
227.06764	100.0
227.10379	9.9
228.07066	4.4
231.63588	1.8
245.11894	4.7
258.77451	2.0
261.05511	59.9
263.05191	2.0
291.06631	1.7
293.08630	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	507.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35460	1.0
58.02984	9.5
59.01384	39.8
61.98866	1.3
66.80801	1.1
71.01396	2.3
74.02477	14.7
81.03464	1.8
82.02985	3.4
83.01392	2.9
83.05054	1.2
85.02931	1.4
85.04089	1.0
86.02513	1.1
86.06125	1.1
87.05656	5.4
89.50381	1.0
96.04550	9.6
97.04077	8.6
98.02497	5.0
98.22667	4.1
99.05659	12.8
100.00401	3.0
101.02449	2.3
106.29698	1.0
107.05038	6.2
108.04565	9.5
109.02987	2.7
109.04010	1.7
110.02492	2.3
110.06239	1.0
112.04063	11.0
112.07689	9.8
112.37449	1.2
113.02425	1.6
113.03609	6.9
115.67535	1.0
120.04524	1.2
122.06124	4.3
124.04050	7.8
125.03551	2.3
125.04859	5.1
126.04394	1.8
126.05620	4.9
127.05161	12.8
128.03548	1.2
133.06650	2.3
135.04402	1.1
135.08151	2.0
137.07217	5.6
138.05658	1.7
140.07173	16.7
140.08177	1.1
142.03288	1.2
143.04649	3.2
152.03564	4.0
153.17609	1.1
155.08284	26.0
161.06050	6.4
165.06699	18.8
166.05115	3.7
177.03471	1.1
181.06186	1.7
183.07762	44.4
197.09688	1.1
206.93892	1.0
209.05791	2.8
209.09756	2.4
215.06766	3.2
217.12410	3.0
225.05225	1.7
227.06757	100.0
227.10405	12.6
228.07039	3.9
243.10349	8.6
245.11844	4.4
261.05505	58.4
262.05685	1.4
266.97037	1.1
308.74542	1.2
394.57571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
69.91082	0.7
70.35716	1.7
74.02483	1.7
82.02999	1.2
84.04550	4.5
99.05688	0.9
101.07219	1.7
104.72647	0.8
109.04093	6.6
125.03584	3.4
126.01884	1.1
127.05144	19.1
127.06072	1.1
128.03554	7.8
145.06203	100.0
528.43414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.7
69.29598	4.9
71.01388	2.7
84.04575	3.2
84.32130	1.2
88.63608	1.5
89.02444	2.0
101.02455	1.8
101.07201	2.1
109.04085	5.9
113.02456	2.5
125.03614	3.9
127.05153	22.1
128.03520	7.1
145.06206	100.0
145.09843	3.0
146.06563	2.0
162.89359	2.9
177.18378	1.4
183.33989	1.5
195.51569	1.2
206.74644	1.4
417.21051	1.5
419.83676	1.5
494.83441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1873
Annotation	Hypochoeroside E
Peak:m/z	Relative Intensity
57.03459	1.0
59.01383	8.8
60.21250	0.5
61.12720	0.5
71.01384	8.0
71.42227	0.7
72.54699	0.6
73.02970	1.9
83.01398	1.6
85.02942	3.0
87.00882	0.7
87.97356	0.6
89.02464	2.3
94.98110	1.1
99.00901	2.0
99.04556	0.5
101.02438	5.1
104.98516	0.6
113.02475	2.5
117.03474	1.3
119.03514	1.0
119.05087	0.8
131.03546	0.6
132.02232	1.9
133.02975	31.6
134.03734	2.0
135.04544	9.4
142.73872	0.6
149.06058	0.7
158.11705	0.7
161.02457	100.0
162.02835	2.3
177.05666	0.8
179.03537	5.9
193.04991	0.8
213.14900	0.8
221.04544	1.7
251.05557	1.2
281.06653	2.3
345.15536	14.5
361.14896	1.3
463.19745	5.6
489.17484	2.1
507.18512	27.6
508.19424	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	507.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01383	8.8
60.21250	0.5
61.12720	0.5
71.01384	8.0
71.42227	0.7
72.54699	0.6
73.02970	1.9
83.01398	1.6
85.02942	3.0
87.00882	0.7
87.97356	0.6
89.02464	2.3
94.98110	1.1
99.00901	2.0
99.04556	0.5
101.02438	5.1
104.98516	0.6
113.02475	2.5
117.03474	1.3
119.03514	1.0
119.05087	0.8
131.03546	0.6
132.02232	1.9
133.02975	31.6
134.03734	2.0
135.04544	9.4
142.73872	0.6
149.06058	0.7
158.11705	0.7
161.02457	100.0
162.02835	2.3
177.05666	0.8
179.03537	5.9
193.04991	0.8
213.14900	0.8
221.04544	1.7
251.05557	1.2
281.06653	2.3
345.15536	14.5
361.14896	1.3
463.19745	5.6
489.17484	2.1
507.18512	27.6
508.19424	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15215	0.8
52.96909	0.8
55.95741	0.7
59.01383	39.8
64.66528	0.9
67.32318	0.8
69.11726	5.7
71.01377	1.2
71.52670	0.9
81.03465	31.0
82.03750	0.7
83.05039	3.1
98.21954	1.7
101.02447	1.3
107.05025	3.1
123.04516	4.6
128.03583	1.9
133.06621	9.5
138.76961	0.8
161.06100	43.2
162.06334	1.4
182.89587	0.9
197.09703	2.1
215.10771	2.9
225.09254	2.3
228.07924	1.4
243.10281	100.0
244.10544	5.2
258.61020	0.8
270.85461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18715	3.3
50.93763	3.5
56.65480	5.0
56.70998	4.0
59.01388	33.1
67.56113	3.4
68.64909	4.3
69.15614	22.2
71.01381	20.2
73.02943	6.8
76.83499	3.4
85.02957	14.0
89.02437	11.9
92.92399	3.4
98.22626	9.1
101.02444	19.3
108.57358	3.4
113.02439	18.6
115.00395	5.3
119.03541	4.0
132.04572	11.7
133.01474	5.3
133.05350	13.8
135.89468	3.9
159.57144	3.6
199.09695	3.8
199.30266	4.3
257.13052	5.8
283.10773	6.9
287.07520	4.2
301.11877	4.6
345.10870	57.2
345.15503	100.0
346.11530	4.4
346.15701	7.2
507.20923	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	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.7
57.03455	5.9
59.01384	90.8
61.98839	5.0
62.90665	1.8
69.03463	3.7
71.01390	53.4
72.99327	3.3
73.02962	9.0
74.02459	1.7
74.92898	1.6
75.00853	4.1
77.37933	1.9
83.01408	6.7
85.02957	46.2
87.00909	6.5
87.58495	1.6
89.02451	39.2
95.01411	5.6
97.02994	2.6
99.00906	2.2
101.02451	31.5
102.36758	1.7
113.02464	24.2
115.00389	8.8
119.03524	13.5
128.03569	3.3
129.01988	5.1
131.03568	2.6
132.04568	2.5
133.01439	18.3
133.02988	4.3
133.05405	2.7
135.04594	2.8
139.11319	2.0
143.03537	3.7
147.03049	5.3
151.33014	1.9
153.09276	6.9
155.10780	6.5
161.02496	9.0
161.04616	7.7
165.05582	2.0
165.09253	6.8
169.52563	1.9
179.05630	5.0
183.10239	17.8
191.01982	11.6
193.05078	3.4
197.04625	6.3
197.08223	6.7
199.09891	4.6
221.06738	4.6
323.10043	4.3
327.11218	3.6
345.11368	8.8
345.15503	63.5
346.16180	4.0
391.12405	5.8
409.12473	2.5
507.20993	100.0
508.21320	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38129	15.2
111.08176	10.8
122.58951	3.0
147.41928	3.0
160.84236	3.3
169.12350	4.1
197.11853	46.9
211.13518	5.0
248.11885	3.1
291.19678	11.0
309.20743	100.0
310.21014	5.4
472.75980	3.4
508.02866	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.0
70.69866	3.7
74.57112	2.8
87.59225	2.3
99.92562	12.9
115.92075	6.3
116.92877	18.9
125.09708	2.8
158.93942	22.9
166.54944	2.8
168.91263	2.6
191.28194	2.2
197.04721	3.6
205.16566	2.2
247.20673	3.0
291.19510	3.3
302.14465	2.5
309.20724	100.0
310.20990	4.5
447.11197	6.2
507.13464	5.8
507.25406	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	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.7
69.36343	2.4
77.86728	0.5
78.95909	22.7
84.44959	0.5
92.73185	0.5
96.96996	2.3
145.58334	0.5
150.98018	0.6
152.99599	34.3
171.00641	1.7
189.72177	0.6
227.03275	5.0
245.04433	1.5
279.23318	100.0
280.23666	4.6
415.22415	0.7
471.16031	0.6
507.27304	47.7
508.27856	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	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14050	0.4
61.98827	0.6
65.53373	0.4
70.09746	0.4
73.34565	0.4
75.41651	0.4
78.95908	17.6
84.00249	0.4
85.92314	0.4
96.96964	1.3
98.22803	0.7
110.98537	1.3
112.81716	0.5
116.86104	0.4
132.63327	0.4
137.00633	0.4
152.99599	25.0
167.01012	0.5
171.00623	1.2
185.02214	0.9
214.49857	0.4
227.03261	4.3
227.05292	0.5
245.04332	1.1
261.22217	0.8
278.42007	0.4
279.23297	100.0
280.23648	7.0
281.23862	1.5
293.24911	0.4
327.96744	0.4
339.18857	1.8
350.36792	0.5
415.22446	0.6
447.25204	3.6
507.20895	3.8
507.27301	46.7
508.21280	0.5
508.27808	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68840	0.3
59.01391	0.4
62.50382	0.3
69.19363	1.4
69.19764	0.8
78.95908	9.0
96.96967	0.6
98.22731	0.7
152.99606	14.8
171.00650	0.8
207.66568	0.3
214.94070	0.4
226.41946	0.3
227.03247	1.6
245.04343	1.9
245.52870	0.4
261.22305	0.6
279.23309	100.0
280.23630	5.9
282.25256	0.6
376.07950	0.4
507.27332	24.9
508.27621	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.4
62.39619	0.4
64.69920	0.4
69.39986	0.9
69.40372	1.4
78.37231	0.6
78.95910	21.1
96.96968	2.0
114.08403	0.5
150.98038	0.7
152.99600	31.0
171.00636	1.1
227.03255	4.4
245.04282	1.2
279.23315	100.0
280.23706	5.6
415.22635	0.6
447.25427	1.1
507.21252	2.0
507.27310	46.5
508.27588	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	509.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
57.03453	13.7
59.01389	3.0
62.19284	0.6
65.00308	0.9
67.01925	0.7
70.81120	0.6
70.81446	0.7
71.01402	1.3
82.91389	0.6
83.01419	3.6
84.02177	1.7
85.02957	100.0
86.03290	0.9
87.00897	1.6
91.01892	3.5
98.96178	0.7
101.02495	0.7
103.00368	0.7
108.02182	5.7
109.02969	0.8
111.00896	9.0
115.00347	0.8
123.04541	12.6
129.01956	19.8
136.01575	0.6
147.03009	9.8
152.01160	3.7
166.02711	1.5
167.03510	26.8
167.04936	1.4
173.00948	6.8
181.05144	0.7
191.02007	8.0
192.04295	1.0
202.13997	0.6
207.06648	1.4
209.03003	1.5
235.06194	7.3
297.06146	5.5
337.81927	0.6
341.05209	3.2
359.06155	5.7
400.46054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03452	12.3
59.01390	4.5
61.98828	0.9
67.27193	0.7
69.57267	3.1
69.57644	1.9
71.01378	2.4
73.02921	1.1
83.01387	4.6
85.02957	100.0
86.03249	1.0
87.00877	1.9
91.01881	3.4
96.61878	0.8
98.22580	1.7
108.02180	5.7
111.00886	9.9
114.54900	0.9
123.04536	12.3
124.01661	1.2
129.01961	19.5
136.01648	1.0
147.03006	11.7
152.01146	2.7
167.03510	26.0
168.03909	1.2
173.00948	6.0
191.01984	9.0
192.04375	1.8
207.06628	2.4
209.03012	1.1
235.06117	8.0
241.26210	0.9
297.06168	5.6
323.03784	1.0
341.05179	3.4
359.06241	4.2
414.53232	0.9
461.33047	1.0
500.62628	0.9
520.07190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
58.00571	1.0
59.01383	100.0
60.01702	0.9
69.74664	1.0
69.74998	3.0
71.01385	51.8
72.99309	1.5
73.02943	2.0
73.75072	0.8
79.25025	1.0
83.01389	1.6
83.87349	0.8
84.04571	1.2
85.02968	9.7
87.00893	2.4
89.02451	71.0
95.01369	2.6
98.22583	1.2
101.02453	27.4
107.03467	0.8
109.04053	1.7
113.02452	20.8
114.02755	0.8
119.03513	17.0
121.06616	1.0
123.04514	1.0
123.60002	0.8
125.02441	1.5
125.03562	1.2
127.04042	1.1
127.05137	5.9
129.01952	1.4
131.03510	3.4
136.36270	0.8
143.03540	6.9
145.06207	29.6
149.04550	2.5
149.06094	3.9
152.68083	0.9
161.04575	8.3
167.03526	0.8
167.07152	2.2
179.05626	31.3
179.07195	1.9
179.31818	0.8
221.06659	1.0
323.09662	1.0
493.28894	1.0
509.18814	13.8
510.18649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96138	0.8
55.01878	2.7
57.03430	3.0
58.00601	1.9
59.01383	100.0
69.03452	2.4
69.15934	4.7
71.01387	64.6
72.01727	0.8
72.99316	1.4
73.02943	7.9
75.00893	0.8
81.03462	3.8
83.01392	7.7
83.05035	6.4
85.02959	18.9
87.00886	5.9
89.02448	76.9
90.71989	0.8
91.79274	0.7
95.01405	5.8
95.05048	0.8
97.02956	5.5
99.00891	2.4
99.04556	1.2
101.02449	46.1
102.02819	1.0
107.05058	2.2
109.02957	4.2
111.00841	1.1
113.02457	32.5
119.03519	22.5
119.04962	0.8
121.06628	6.5
123.04524	2.2
125.02460	9.1
127.04027	27.0
127.04983	1.6
131.03514	4.8
139.03926	0.8
141.01863	1.1
143.03494	11.2
149.04556	2.4
149.06073	9.3
161.04573	16.6
167.03453	1.1
167.07146	13.4
176.72545	0.7
179.05623	43.4
180.05917	1.3
185.04539	0.9
221.06677	21.2
263.07816	4.1
266.09634	0.9
279.06168	0.8
281.08810	0.9
323.09836	18.3
347.13531	3.2
509.18738	44.8
510.18997	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	509.2031
Annotation	Lactoside B
Peak:m/z	Relative Intensity
59.01385	1.5
61.98827	0.4
69.52703	1.1
71.01392	0.5
74.70403	0.3
82.95397	0.2
84.75928	0.3
98.06481	0.3
98.22619	0.5
99.00893	0.3
107.04984	0.3
117.03454	1.0
120.58294	0.3
121.02954	0.4
132.02167	0.4
133.02963	15.1
134.03752	6.5
135.04539	14.9
136.04903	0.4
137.02440	1.7
139.04015	0.6
139.11394	0.3
148.05328	0.8
151.55908	0.3
161.02455	89.1
162.02803	1.7
163.04044	0.3
175.04047	0.3
178.02737	0.7
179.03494	8.6
185.11848	6.2
196.06088	0.5
211.55418	0.3
213.14888	0.3
247.09761	0.8
264.10324	0.3
278.60904	0.3
302.99536	0.2
303.16019	14.1
304.16428	0.8
317.06082	0.3
329.13901	4.1
330.14624	0.3
347.14996	100.0
348.15338	6.0
389.16281	0.6
509.20090	2.2
514.49677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.96777	2.5
81.03453	1.6
161.06042	1.9
179.03557	1.0
179.76015	0.8
201.12950	1.5
215.10759	1.9
245.11853	40.6
246.12218	2.5
292.39868	1.0
397.45651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03447	0.3
59.01088	0.2
59.01384	3.4
61.98827	0.1
64.96390	0.1
69.03443	0.1
69.35320	0.3
71.01386	2.8
72.99315	0.3
73.02952	1.6
75.00890	0.1
77.03962	0.1
83.01392	1.1
85.02959	2.2
86.00097	0.2
87.00872	0.4
89.02454	0.5
89.03970	0.2
89.53367	0.1
95.01401	0.3
96.96030	0.2
97.02968	0.2
99.00884	0.7
101.02448	4.0
105.03468	0.6
107.05043	0.1
111.00903	0.2
113.02465	1.4
115.01920	0.1
117.03471	0.8
119.03519	0.1
123.04551	0.3
129.01909	0.1
132.02158	1.4
133.02966	28.0
134.03487	0.6
134.03795	0.6
135.04529	4.2
136.04869	0.1
137.02475	0.2
159.02957	0.2
160.01675	0.3
161.02454	100.0
162.02789	2.9
163.04124	0.1
175.04048	0.1
179.03506	1.9
180.03827	0.1
185.11847	0.3
211.13467	0.2
341.73309	0.1
347.17108	16.1
348.17487	0.9
361.40891	0.1
380.33310	0.1
400.26254	0.1
465.21405	1.1
491.19171	0.8
509.20279	34.1
510.20581	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03440	2.4
59.01383	23.2
69.11642	5.3
69.12053	2.4
71.01389	25.3
72.73534	1.1
72.99339	1.6
73.02958	11.3
77.15372	1.3
81.04471	1.3
83.01386	6.7
85.02953	18.3
86.00125	2.0
87.00893	1.7
89.02449	5.1
95.01409	1.4
99.00904	2.5
101.02451	26.4
108.14152	1.1
113.02465	9.4
117.98659	1.4
119.03454	1.6
129.01926	1.2
159.03192	1.2
161.02438	2.3
161.04599	3.6
162.09390	1.3
175.86191	1.2
179.05498	2.1
185.11856	3.1
190.10112	1.1
190.75380	1.1
191.01909	1.2
196.47508	1.2
248.63518	1.1
258.06183	1.1
329.16040	2.4
347.17136	100.0
348.17459	3.7
371.17093	1.7
393.21362	3.4
443.35474	1.3
509.22455	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	509.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65483	4.6
59.01390	8.0
61.98841	11.1
62.70253	4.7
68.29205	5.0
69.56917	5.6
69.57258	22.6
71.01418	4.0
139.11310	11.6
149.29169	5.1
165.77560	5.0
171.10289	11.8
179.10577	5.2
244.46022	4.7
289.91022	4.9
293.21210	13.7
311.22333	100.0
349.77429	5.2
360.57080	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	509.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74593	2.2
64.51229	2.1
65.08218	2.2
65.63856	2.4
69.41900	9.8
75.80199	2.0
79.25491	2.1
98.22655	4.3
119.84328	1.9
125.09708	3.9
200.10635	3.2
211.13409	2.9
248.64932	2.1
310.02890	3.9
311.22290	100.0
312.22607	5.6
509.26544	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	509.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
61.59689	2.7
70.51645	5.8
72.80544	2.6
136.20924	3.7
139.11325	3.4
148.73720	2.9
171.10306	22.9
201.11375	6.0
298.04779	6.7
311.22311	100.0
509.25278	4.8
528.11859	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62668	1.8
53.53217	1.8
61.98842	10.5
73.40057	2.0
78.95903	23.5
83.43821	1.8
83.73849	2.4
137.64470	1.7
152.99605	26.5
178.88432	2.4
196.89532	16.6
227.03238	3.3
255.23334	3.5
256.23685	7.1
281.24884	100.0
282.25189	3.5
509.16992	3.3
509.22415	3.9
509.28970	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	510.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75207	1.7
55.01882	2.8
59.01366	5.4
68.25423	1.6
71.05009	6.5
74.00707	1.5
80.05056	5.7
82.02991	8.4
82.09856	1.4
83.01386	6.7
83.05022	6.7
85.02943	1.7
86.02488	3.4
96.04568	10.8
98.02486	42.9
98.06123	8.7
99.04534	2.1
102.98602	2.9
108.04567	20.5
120.01263	6.7
124.04057	25.5
126.02048	1.6
126.05620	15.8
127.00411	7.6
128.57820	1.5
132.34334	1.6
134.89502	1.6
135.04503	2.2
140.01727	8.1
142.03355	3.1
142.05110	5.2
152.02423	2.6
152.03551	26.5
156.01305	1.6
161.02475	1.9
161.06047	3.2
168.01825	1.9
168.03052	17.1
170.04651	15.9
179.29036	1.6
184.00758	2.5
184.18283	1.4
196.02524	91.7
197.02725	1.8
202.01814	54.6
214.03589	15.9
230.01292	32.2
246.00833	7.0
248.02350	100.0
249.02682	2.1
270.90628	1.4
510.14120	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	510.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37436	0.5
53.92654	0.4
59.01387	3.6
70.15229	1.1
71.01378	2.8
72.99364	0.4
78.01117	1.2
78.63852	0.4
83.01375	0.8
85.02957	1.8
86.00095	0.8
87.00884	3.7
89.00322	1.3
89.02448	1.5
91.01897	0.6
95.01383	3.4
96.96008	0.6
98.21982	0.4
99.00864	0.6
101.02458	1.2
106.00610	1.2
111.00907	1.1
113.02457	1.6
119.03490	1.0
120.01240	1.3
121.02967	26.0
121.05336	0.7
122.03316	0.9
122.06140	6.1
123.00896	18.1
127.00403	0.5
127.09273	0.5
128.29251	0.5
134.06134	0.9
136.07680	5.1
138.03242	10.9
147.03116	0.5
150.05617	20.4
151.05959	0.8
152.07152	1.5
153.05585	22.6
161.04701	0.7
166.99866	17.0
168.00128	0.5
174.05580	0.6
175.06461	0.8
176.07198	2.4
179.03302	0.6
182.02225	43.2
183.02603	1.3
194.08250	1.0
197.04561	100.0
198.04955	3.2
204.06697	0.9
222.07722	1.6
312.10931	40.9
313.11316	2.3
330.12039	0.8
511.23642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79016	1.3
59.01374	4.6
73.82278	1.3
74.02505	1.4
85.02957	1.6
86.02492	10.2
88.26364	1.6
96.96042	6.5
120.01247	10.3
127.05145	3.3
127.08788	13.1
128.03558	100.0
153.06700	4.7
171.07785	34.1
177.05676	1.9
191.79514	1.3
198.01122	1.4
215.06769	3.1
223.13707	1.3
226.93094	1.4
231.04456	9.0
231.10318	1.8
249.05521	65.3
264.58765	1.5
328.35007	1.3
364.08456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.176
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
58.41759	1.5
58.99602	3.1
59.01386	13.8
61.98835	10.3
69.04822	1.4
70.03230	3.2
71.01382	6.6
72.99324	1.7
74.02481	8.6
75.00874	10.5
76.36462	1.4
82.02982	2.1
85.02954	3.4
86.99123	2.5
87.00890	5.2
87.02696	1.6
89.02469	2.9
90.90123	1.4
95.02522	3.9
97.57010	1.6
98.21999	1.7
99.00884	12.5
100.00417	4.9
101.02448	4.0
101.04311	3.8
102.00213	2.7
109.04102	2.9
110.02488	2.2
111.05650	3.7
113.02456	2.4
116.01776	10.0
117.01958	5.8
132.02097	1.7
133.02992	23.7
135.03030	15.8
135.04526	4.8
135.05554	1.4
150.04300	3.1
151.00407	1.4
155.09023	3.0
157.10570	1.7
160.00764	2.9
161.02458	100.0
162.02753	2.9
163.05141	2.1
177.06693	3.6
178.03818	1.9
182.94290	1.5
187.13409	9.2
188.14436	2.2
189.10393	1.7
203.11937	2.8
217.13490	4.8
218.66747	1.5
233.09201	1.9
233.13094	2.2
239.03941	1.6
243.11345	4.5
261.12463	7.9
271.18069	2.3
287.17679	2.2
295.18576	2.7
305.16873	3.5
321.16382	15.6
331.14783	2.2
335.17871	1.8
339.17438	5.2
345.16360	2.2
349.15540	5.7
349.19223	24.6
351.17581	2.1
363.12076	1.7
379.17218	7.4
389.15302	1.7
407.16449	5.6
451.15378	19.3
452.15674	2.7
511.16327	60.6
511.23181	13.7
512.17700	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	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43148	4.5
54.86548	5.0
57.03450	4.5
59.01382	100.0
61.98847	9.1
68.50362	4.0
71.01387	28.6
72.99301	7.7
73.02956	40.5
83.01392	13.9
85.02958	23.8
87.00884	5.0
88.98817	31.8
89.02455	20.3
91.11862	3.7
95.01412	4.2
96.96014	6.3
98.02467	9.3
99.91133	3.8
101.02475	20.8
108.04527	4.9
113.02445	14.7
114.93427	4.5
116.92871	6.3
119.03468	6.7
124.04049	6.4
127.23920	4.7
128.03566	5.5
135.04556	5.3
135.08226	8.6
140.01767	9.8
149.06065	12.8
152.03522	4.6
161.02478	10.1
168.03021	5.2
170.04649	4.9
175.53769	4.0
177.05586	19.6
177.09204	20.1
179.03586	6.8
188.88698	5.9
196.02554	16.0
197.02884	7.7
202.01834	5.2
205.08655	23.8
215.04033	5.3
221.22563	4.5
230.01308	4.8
246.00761	6.7
248.10556	17.6
263.12927	33.3
289.14563	6.9
289.18170	8.9
337.28326	4.7
511.13797	5.6
511.21829	14.9
522.16962	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.4
59.01381	60.4
68.09558	3.9
69.35219	16.1
71.01378	22.1
72.99295	4.8
73.02946	27.5
82.02989	4.6
83.01388	10.8
83.05042	6.2
85.02959	44.1
86.02466	6.9
89.02439	7.6
96.96015	100.0
97.02921	4.9
98.02500	14.7
99.04502	7.1
101.02465	21.7
105.44291	4.5
107.05024	16.0
108.04555	9.9
109.02993	9.0
111.04514	15.4
113.02472	7.8
123.04476	4.5
124.04090	8.0
127.08806	9.9
128.03558	40.7
129.01965	10.5
133.02971	7.7
133.06636	11.2
135.04506	15.8
135.08145	9.0
149.06123	8.1
152.03577	7.6
161.02415	20.0
161.04488	6.9
161.06067	15.5
162.06406	4.8
163.07616	5.8
167.03542	5.5
168.03064	5.2
171.07748	15.2
177.05573	7.7
177.09116	4.8
179.03502	19.8
191.01973	6.2
196.02483	30.1
197.02859	6.9
202.01936	5.2
205.08691	4.9
213.09117	4.5
217.12273	8.7
220.32619	5.0
227.10869	23.1
231.10451	7.3
239.91553	4.5
245.11859	10.4
248.02454	6.3
249.05533	21.6
261.11136	8.3
262.11627	12.5
263.12897	10.1
393.10858	4.3
398.86182	4.7
493.13083	7.9
503.13242	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88486	4.6
59.01385	64.4
60.99308	16.0
61.98821	6.5
63.71018	6.1
65.16621	5.0
65.64500	4.7
67.01563	5.5
70.68182	10.1
71.01390	7.8
73.02955	13.8
85.02959	17.1
87.04558	5.5
88.98811	100.0
89.02458	73.9
98.02487	8.0
101.02464	11.1
113.02456	6.9
124.04045	9.1
126.05626	8.3
134.95715	5.5
135.08244	6.9
140.01776	8.6
149.06247	7.5
152.03545	9.6
161.02469	6.9
177.05661	7.9
177.09241	15.7
179.03621	5.7
191.02138	5.1
196.02501	13.8
202.01852	11.3
203.02190	5.7
205.08702	13.5
214.03625	11.9
230.01346	6.8
248.02448	18.7
249.02637	13.1
263.12924	10.6
289.18173	7.3
292.04218	7.2
307.06702	5.3
407.27371	5.5
511.12851	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	511.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67258	0.9
59.01385	100.0
60.01706	1.0
69.31589	3.8
71.01391	2.2
73.02934	4.0
83.01398	1.0
86.13027	0.7
89.02449	1.1
94.57845	0.7
101.02459	2.7
141.19122	0.7
151.09653	0.8
161.04590	0.8
191.39334	0.8
197.18768	0.9
205.08748	0.7
316.35068	0.8
359.06018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
60.40107	0.3
61.98836	100.0
71.01395	1.1
80.96527	0.5
82.95428	0.9
85.02983	0.6
98.21815	0.7
101.02442	0.3
112.10165	0.3
113.42843	0.4
114.38824	0.3
117.56723	0.3
133.02974	1.0
134.03784	0.6
135.04587	1.1
157.15996	0.3
161.02481	2.3
168.06725	0.4
179.03543	1.0
511.22751	1.5
511.37292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2398
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01386	20.5
59.78387	1.4
62.56511	1.5
71.01385	15.7
73.02946	6.3
74.43266	1.6
82.84499	1.5
83.01388	3.0
85.02979	10.4
89.02465	7.6
93.03453	1.5
98.22652	5.2
99.00903	1.5
101.02446	11.1
105.56074	1.7
113.02457	5.7
119.03488	2.6
125.02467	2.7
131.49141	1.4
161.02487	2.0
179.03503	2.2
187.13414	32.3
307.17661	2.1
308.12604	1.8
331.17603	5.8
332.22284	1.8
349.18710	100.0
350.19034	6.0
404.08200	1.6
431.11667	1.6
451.22174	2.0
469.22897	3.9
511.17148	2.1
511.24039	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	511.24
Annotation	Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	1.8
57.03445	2.2
59.01384	100.0
71.01387	56.8
71.01672	1.1
71.01790	1.8
71.04582	1.6
72.01723	1.8
72.99304	1.3
73.02934	4.8
75.97940	0.9
83.01381	3.4
85.02962	12.1
87.00862	2.0
89.02451	58.7
90.02795	1.2
95.01398	4.9
99.00896	2.9
101.02447	36.9
113.02457	22.0
119.03515	32.3
125.02430	1.5
131.03520	3.2
141.02002	1.4
143.03525	6.7
149.04562	2.8
155.63188	1.4
161.04579	5.1
178.36510	1.3
179.05656	12.6
253.36371	1.2
273.28146	1.2
331.17584	2.4
349.18604	3.7
462.68857	1.3
493.22858	1.7
511.24014	42.6
512.24188	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	511.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95134	1.4
55.01860	2.5
57.03460	1.8
59.01383	100.0
62.44048	1.5
70.75673	2.4
71.01389	56.8
72.01730	1.5
73.02960	4.4
80.44460	1.4
83.01402	4.8
85.02958	13.7
87.00874	3.7
89.02450	61.2
95.01412	6.1
96.96091	1.5
99.00882	4.2
101.02453	36.3
113.02462	27.5
119.03509	33.3
121.02908	1.8
123.00954	2.3
131.03510	2.9
141.01936	3.2
143.03493	6.0
149.04579	1.7
161.04553	6.4
179.05634	14.6
183.02600	2.0
189.01878	1.7
197.04590	5.6
198.04904	5.1
203.76062	1.6
313.11218	3.1
331.17664	4.4
347.30618	1.5
349.18521	8.8
365.65628	1.7
463.59445	1.7
511.24014	65.2
512.24353	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	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08329	1.9
57.03444	4.1
58.78984	2.1
59.01381	100.0
60.39896	2.1
60.65960	2.3
61.98847	9.7
69.03462	2.4
70.29048	1.9
70.77238	3.2
71.01391	19.3
71.05019	7.0
73.02958	27.0
79.05537	3.4
82.02972	5.0
82.95435	4.6
83.01363	4.5
83.05033	11.0
85.02955	16.4
87.00889	2.0
87.04508	9.5
89.02457	6.9
95.01382	4.1
96.04562	2.8
96.96027	2.1
98.02473	13.7
98.06071	2.7
99.00889	4.1
101.02447	11.9
107.05025	2.9
108.04571	5.1
109.04842	2.2
109.06615	17.3
113.02464	13.9
119.03487	2.0
123.08165	3.4
124.04031	7.1
126.05617	3.0
127.00352	3.5
128.03505	2.2
131.03497	2.2
133.02969	4.2
133.06551	2.8
134.32634	1.9
135.04465	9.9
135.08179	6.2
137.09666	3.4
140.01773	3.0
141.02043	3.7
149.06134	3.7
151.07635	6.1
152.03535	4.5
161.02417	3.8
161.04507	4.1
161.09880	2.3
161.13347	2.9
164.73657	2.5
165.03865	2.0
168.03026	3.2
170.04596	5.7
171.07678	2.1
172.18813	2.0
177.09166	5.9
179.03477	6.1
182.09105	2.0
184.00813	2.3
189.12842	7.4
196.02576	21.2
196.06911	1.8
197.02884	10.7
199.14981	7.4
201.12888	8.9
202.01802	10.7
203.02109	3.3
205.08789	4.5
213.07620	1.9
214.03587	6.2
215.03874	2.4
215.14407	2.2
219.13922	3.6
227.14389	9.3
230.01297	5.4
231.01544	2.3
245.15475	39.4
246.00832	5.0
247.01047	2.7
248.02345	15.5
249.02603	8.3
249.05112	2.0
263.12848	3.9
263.16504	19.4
289.18088	33.2
307.19159	16.0
352.39633	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	511.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.0
59.01385	100.0
61.98831	2.7
69.03448	1.6
71.01389	23.8
71.05005	1.2
71.24528	1.2
72.02180	1.2
73.02949	32.2
79.05548	0.9
81.07100	1.1
83.01383	6.8
83.05036	3.4
85.02959	11.1
87.00914	2.3
87.04522	17.3
89.02447	10.7
95.01404	1.8
96.96033	1.2
98.02493	1.4
99.00829	1.2
99.04572	1.1
101.02451	21.3
107.05038	2.0
108.04574	1.0
109.06611	3.8
113.02451	14.4
119.03493	3.5
123.08146	1.2
126.05576	1.2
127.07658	2.7
128.03537	1.0
131.03529	2.2
135.04475	1.6
135.08189	2.3
137.09705	2.5
143.03525	2.4
147.08195	1.1
149.09756	1.3
151.07649	1.4
153.09183	1.7
161.02397	1.4
161.04550	4.5
167.10764	1.2
170.04532	1.1
177.09161	7.5
179.03468	1.1
189.12906	2.5
196.02534	2.3
197.02765	1.5
199.14880	1.3
201.12816	2.2
202.01680	1.2
203.02199	1.2
205.08682	7.2
212.62552	1.1
217.16014	2.0
219.14093	1.1
227.14587	1.0
235.17070	2.8
245.15424	6.2
247.13358	1.4
248.02443	1.5
249.02728	1.4
263.16522	3.1
271.17044	1.7
289.18130	8.1
307.19183	14.0
349.20242	2.0
451.23636	1.3
511.23267	1.6
511.65967	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	511.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44284	0.6
52.81076	0.6
53.72982	0.6
55.01889	0.9
57.03449	1.9
59.01384	100.0
60.01694	0.8
61.56918	0.6
61.98834	7.0
69.03467	0.9
70.71472	1.3
71.01388	26.5
72.99339	1.0
73.02951	40.4
76.17634	0.7
79.05570	1.0
81.03474	0.9
82.39793	0.6
83.01395	8.2
83.05025	1.5
85.02964	8.9
87.00905	3.2
87.04514	4.5
89.02448	10.5
95.01407	1.1
97.02999	1.1
98.02488	1.4
99.04517	1.0
101.02449	26.1
107.05050	1.2
109.06616	1.1
113.02459	13.9
116.92891	1.6
119.03520	5.0
123.08199	2.1
125.02481	1.6
127.07762	0.6
131.03537	2.1
133.06627	1.4
137.63106	0.7
143.03551	3.1
145.05119	1.6
149.04625	1.5
151.07703	2.7
153.14842	0.7
161.04582	5.1
161.13388	0.9
177.09225	3.2
179.05591	0.9
185.02823	1.1
187.07697	0.9
189.12895	2.1
196.02603	1.7
197.02766	0.9
199.14871	0.9
205.08783	3.9
215.14447	1.1
216.13472	0.7
217.07159	0.6
227.04843	0.7
233.15570	1.3
235.08302	1.6
245.15599	1.7
248.02489	2.3
249.02672	1.1
271.17255	1.0
289.18301	2.7
295.10159	1.0
307.19315	1.4
433.23059	1.3
451.23862	2.8
469.24731	2.4
511.25836	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	511.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	1.1
55.01880	10.8
57.03454	6.9
57.97783	0.6
58.00596	1.0
59.01384	95.3
60.36488	0.6
65.29607	0.6
69.03465	0.9
71.01387	100.0
72.01710	1.1
72.99320	2.5
73.02950	39.2
75.00884	2.2
81.03477	0.9
81.07104	1.0
83.01391	19.4
83.27678	0.6
85.02956	52.4
86.00105	1.9
87.00878	5.4
89.02451	35.4
92.83476	0.7
95.01398	8.8
97.02966	2.7
99.00887	11.0
101.02453	94.8
102.02795	1.4
111.00866	1.3
113.02458	47.8
114.02824	0.8
119.03509	18.8
124.66975	0.6
125.02451	2.6
129.01979	1.7
131.03523	2.2
133.03004	0.7
137.02454	0.8
143.03519	6.5
144.45403	0.6
149.04529	1.7
151.11336	0.6
159.03018	7.9
161.02419	2.6
161.04578	28.5
175.11253	4.8
177.12881	2.7
179.05661	5.2
191.01917	0.6
205.12447	0.9
257.19138	3.2
275.20276	1.4
287.20184	0.8
289.16568	0.8
305.21356	3.8
349.20239	2.3
451.21808	3.4
467.26709	3.3
496.49844	0.6
511.25571	60.2
512.26379	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	511.2554
Annotation	Andrographiside
Peak:m/z	Relative Intensity
53.14602	0.9
55.01880	9.5
57.03448	7.8
58.00594	1.2
59.01384	92.2
62.15761	0.8
68.99813	0.9
69.03488	1.2
69.27898	3.2
71.01388	100.0
72.22752	0.8
72.89330	0.7
72.99314	2.3
73.02950	37.8
74.03351	0.9
75.00867	1.5
80.30663	0.8
81.03500	1.0
81.07084	1.1
83.01398	18.1
85.02957	46.3
86.00106	2.8
86.03269	1.2
87.00890	4.7
89.02450	35.5
95.01385	6.8
97.02956	3.0
98.21916	1.8
99.00893	11.0
101.02451	91.8
111.00888	1.1
113.02455	48.0
117.58090	1.1
118.51095	0.8
119.03511	20.2
121.31902	0.8
125.02460	3.5
129.01984	1.9
131.03511	1.8
133.02954	1.2
143.03532	6.7
149.04486	1.2
159.02994	7.7
161.02455	2.4
161.04572	33.7
175.11330	3.2
175.40224	1.0
177.12906	2.1
179.05623	4.5
179.78773	0.9
196.34230	1.0
242.89284	1.0
257.19131	2.2
275.20132	1.9
289.16675	1.1
305.21362	2.2
349.16080	0.8
349.20178	1.4
413.81378	0.9
451.21683	2.8
455.24963	0.9
467.26712	3.8
511.25620	65.8
512.25775	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01375	1.4
69.71828	3.1
80.20095	1.0
98.22606	1.5
111.08170	2.2
165.12862	19.3
183.13910	100.0
184.14238	2.8
190.68050	0.9
209.11876	5.4
227.12892	16.0
283.15552	1.5
301.16635	10.8
420.89804	1.1
467.29901	1.7
493.27875	1.5
511.29178	30.5
512.29730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	2.3
59.47207	2.3
60.41079	1.9
69.18172	2.3
70.62840	2.5
70.82737	3.5
78.95911	20.7
81.03474	3.9
89.31386	2.5
92.63256	1.9
107.05046	7.6
109.02975	4.9
110.98519	13.4
111.00902	5.0
129.53914	2.1
130.50304	2.2
147.04543	39.7
167.01207	15.8
173.06104	14.8
185.02206	4.3
189.14021	2.4
199.07770	3.0
201.09169	2.5
211.07652	4.4
213.09264	2.4
215.07079	2.6
223.07620	5.2
224.08479	9.3
225.09190	5.4
226.91718	2.3
227.07133	3.3
228.07855	3.1
229.08655	6.4
238.06363	3.0
239.07181	5.0
240.08000	3.8
241.08717	19.1
253.08716	14.1
254.09589	4.6
263.10880	4.1
277.21756	100.0
278.22144	2.8
315.10318	3.3
318.08923	5.9
331.09552	3.1
343.09549	3.5
344.10654	6.3
355.13400	2.7
371.12866	11.0
372.13385	5.9
385.10614	3.6
398.11780	4.4
399.12665	2.5
400.13187	56.8
401.13773	10.8
445.23654	59.9
467.52423	2.9
469.16205	2.6
471.89569	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	513.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01455	1.9
53.17770	2.0
59.01381	26.7
61.98833	8.6
70.64841	3.1
71.01389	12.0
73.02941	2.7
75.00905	3.3
76.17059	2.0
78.98598	4.3
79.95766	9.3
80.96527	58.6
85.02946	11.5
88.98827	3.6
89.02439	3.1
94.98099	15.4
96.96024	3.5
99.00885	3.8
101.02476	6.4
102.92796	1.9
106.98067	3.8
111.78063	1.8
113.02477	2.6
122.97594	2.8
124.01746	1.8
125.02467	5.8
133.02950	2.3
134.97566	3.8
135.04538	2.6
148.99197	3.8
152.98717	5.6
161.02425	4.7
164.98611	9.1
168.00748	2.9
173.68701	2.1
179.03586	2.6
225.00786	13.5
247.12843	2.3
299.04553	3.3
311.00137	1.9
513.20251	100.0
513.26886	4.3
514.20605	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36721	0.3
59.01384	3.1
63.96250	0.8
68.14523	0.3
69.03441	0.7
71.01020	0.7
71.01388	7.5
71.42385	0.5
72.29214	0.4
73.02955	2.5
78.98600	4.7
79.95740	7.7
80.96523	54.1
81.03452	0.8
83.01408	0.7
85.02961	1.7
87.00884	2.4
88.98852	0.4
89.02431	0.7
92.54636	0.3
93.97430	0.4
94.98091	12.9
95.01413	0.4
96.96058	0.8
97.02959	1.4
99.00887	0.7
101.02435	3.1
106.98088	3.3
113.02448	0.8
122.97588	4.7
125.02445	2.8
127.04031	0.7
131.75601	0.5
133.03018	0.4
134.97614	3.6
135.04573	0.5
136.99179	0.8
148.99168	5.3
152.98656	6.0
161.02461	1.8
161.04523	0.5
164.98636	9.6
167.03592	0.5
179.03534	0.4
182.99673	1.9
183.14040	0.6
195.13925	1.0
206.99660	3.1
213.14902	2.9
225.00743	17.1
226.01118	0.6
243.01804	1.5
299.04376	2.1
513.20129	100.0
514.20447	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	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29059	0.4
51.90712	0.4
55.01882	0.5
59.01384	100.0
60.01723	0.6
61.98850	0.6
71.01392	3.1
71.41322	0.5
73.02954	5.5
75.28165	0.4
77.88679	0.3
81.12552	0.4
83.01402	1.4
85.02975	1.2
85.34806	0.4
89.02481	1.3
101.02460	3.8
107.05051	0.8
113.02512	1.3
119.03506	0.6
128.03601	0.6
135.04506	0.5
141.09276	0.7
146.40173	0.4
149.34210	0.4
161.04605	0.5
214.09590	0.4
231.13980	1.1
248.60101	0.4
291.19946	1.1
309.20944	0.8
480.20877	0.4
513.27307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
59.01384	28.6
62.73621	0.5
69.03457	0.7
71.01388	28.3
72.99326	1.0
73.02952	9.8
75.00871	0.7
83.01385	5.7
85.02957	16.0
87.00880	2.3
89.02452	8.1
95.01382	2.5
96.96028	0.9
99.00891	3.9
101.02451	27.0
111.00888	4.8
113.02462	12.5
118.96645	0.9
119.03513	3.1
125.02481	1.0
129.01958	1.3
132.02199	1.3
132.98203	0.9
134.03766	1.1
141.01941	0.7
143.03441	1.3
150.23747	0.5
159.03012	3.4
160.01685	6.5
161.04544	5.8
174.99304	1.1
175.04037	6.5
179.05548	0.8
189.14943	1.0
191.07123	0.5
193.05080	1.2
217.00314	6.9
229.00340	1.4
230.99873	0.8
271.10992	0.9
291.01984	3.3
351.20236	21.6
352.20444	1.2
393.05014	1.3
486.43341	0.6
513.25543	100.0
514.25897	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	513.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
59.01384	24.7
66.80507	0.7
67.40546	0.7
71.01387	28.6
72.99303	1.2
73.02637	0.8
73.02955	9.7
83.01385	7.2
85.02955	17.4
86.11305	0.7
87.00875	3.1
89.02454	7.5
92.08529	0.8
95.01404	2.4
96.95998	2.9
97.02936	1.3
99.00894	4.3
101.01805	1.6
101.02449	27.5
110.13257	0.7
111.00890	3.1
113.02454	10.5
114.03025	0.8
119.03486	2.9
125.02505	0.9
129.01955	1.7
143.03484	1.5
159.02957	3.4
160.01694	2.1
161.04631	4.4
170.38054	0.7
175.04024	3.3
184.28030	0.7
189.15022	0.9
217.00327	3.9
229.00256	0.9
236.94724	0.7
291.01968	1.3
327.93640	0.8
351.20248	21.9
381.09442	1.1
495.16660	0.8
497.73801	0.8
513.17584	3.5
513.25507	100.0
514.26080	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	513.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27563	59.3
52.82938	53.7
71.99326	52.2
74.79467	60.8
98.22797	100.0
150.91556	56.9
195.80675	55.4
207.91835	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11834	0.8
57.03438	1.1
57.90655	0.9
59.01384	88.9
61.98849	1.5
63.36980	1.1
69.95097	1.8
71.01377	4.0
75.31884	0.8
78.34646	0.9
85.02949	1.6
85.20476	0.9
88.81877	0.8
89.02421	1.4
98.21986	1.3
101.02438	3.0
103.11950	0.9
113.02422	5.3
114.90175	0.9
119.03490	0.9
121.10229	8.8
125.09724	4.8
147.08101	1.3
153.03133	0.8
155.51376	0.8
161.04590	1.3
185.11818	8.7
197.11852	1.9
211.13252	1.6
273.18710	1.4
291.19678	100.0
292.20047	6.3
305.21124	2.3
315.19485	1.3
333.20709	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	513.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	66.9
61.98840	1.1
71.01402	6.1
85.02950	1.7
85.43477	1.1
89.02441	2.2
101.02449	3.1
113.02443	4.5
119.03519	2.7
161.04573	1.9
165.12868	15.5
183.13898	12.2
211.13374	2.5
224.60597	1.1
227.12900	16.4
239.73898	1.2
247.20689	6.1
273.18607	3.0
287.91650	1.1
291.19687	100.0
292.19931	4.7
301.16617	1.5
305.21246	2.3
309.56863	1.4
315.27069	2.0
333.20682	3.7
377.27008	2.4
395.28146	2.0
476.37955	1.3
513.30573	2.2
514.85944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03450	0.2
59.01383	8.0
61.68309	0.1
69.03453	0.2
69.07882	0.5
71.01386	4.9
72.99290	0.1
73.02949	1.2
78.95898	0.4
82.23583	0.1
83.01384	0.7
83.05022	0.2
85.02951	1.2
87.00873	0.7
89.02452	4.0
91.04034	0.1
95.01385	0.4
97.02934	0.2
97.06562	0.1
98.21955	0.3
98.22651	0.1
99.00871	0.3
101.02454	4.6
103.04027	0.1
110.98537	0.1
113.02465	2.2
113.06073	0.1
115.04008	0.1
119.03514	1.2
125.02419	0.2
127.07679	0.3
131.03500	0.3
133.05043	0.3
143.03491	0.4
149.04565	0.1
152.99658	0.4
157.05125	0.2
161.04572	1.7
179.05611	0.6
182.13220	0.2
185.02179	0.2
205.19679	0.1
233.22768	0.3
235.08195	0.7
236.51897	0.1
253.09300	15.9
254.09651	0.4
257.19208	0.1
259.20721	0.3
275.20166	0.4
277.21735	100.0
278.22067	5.0
278.25183	0.2
303.15945	0.1
365.45181	0.1
431.22079	0.1
445.23688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44693	0.1
55.01883	0.3
57.03460	0.2
59.01384	7.6
65.42377	0.2
69.10634	1.0
71.01390	5.3
73.02952	1.1
78.95918	0.5
83.01411	0.8
85.02966	1.1
87.00873	0.6
89.02454	3.6
95.01395	0.4
97.02956	0.2
99.00894	0.2
101.01816	0.2
101.02457	4.2
103.03991	0.2
107.05099	0.1
113.02463	2.2
119.03505	1.1
124.41689	0.1
127.07655	0.3
133.05072	0.5
138.30716	0.1
139.55794	0.2
142.67091	0.1
152.99585	0.7
157.05089	0.3
157.30597	0.2
161.04581	1.5
161.37346	0.1
167.22780	0.2
168.62769	0.2
175.88399	0.2
179.05591	0.5
182.13173	0.1
187.06140	0.2
233.22722	0.4
235.08266	1.0
241.90688	0.1
253.09303	15.2
254.09727	0.3
259.20688	0.5
275.20236	0.2
277.21738	100.0
278.22095	4.9
325.31909	0.2
512.05328	0.2
513.19891	0.2
535.99341	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3584
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
54.81534	0.8
59.01377	3.4
59.86493	0.9
60.74666	0.9
71.39540	0.9
71.39951	1.0
72.74312	0.9
78.95908	7.0
82.81386	0.9
87.58128	0.9
110.98558	5.4
165.97188	0.8
167.01170	4.4
184.17087	0.9
185.02193	2.3
190.06451	0.9
250.72559	1.0
277.21759	76.4
278.21909	4.3
353.14206	0.9
445.23611	22.0
446.23978	1.3
453.33691	1.6
513.35889	100.0
514.36292	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	514.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48142	1.8
57.03439	5.6
59.01376	13.2
70.35989	2.0
71.01388	13.7
72.99314	3.5
75.00871	3.2
80.76299	1.5
83.01388	2.4
84.02192	1.8
85.02956	56.5
85.03479	2.7
86.03208	1.9
89.02454	8.9
92.64953	1.6
96.96015	1.9
101.02516	1.8
111.00881	2.2
113.02480	2.5
115.00401	1.9
121.40846	1.7
129.01941	3.3
133.01434	6.5
139.79520	1.9
147.03012	4.8
154.06213	1.7
161.02512	2.9
170.96971	2.1
172.06155	4.3
173.00975	2.5
179.03462	2.6
191.01955	22.2
209.03040	100.0
210.03493	2.0
249.89281	2.2
341.10941	12.2
371.06299	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	514.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	3.6
59.01385	1.7
61.12312	0.3
61.98826	1.0
69.49151	1.4
73.04066	2.0
74.02480	19.0
74.07400	0.3
82.06629	1.3
84.00910	0.5
85.02946	0.9
87.05651	4.1
88.04046	0.8
96.03283	0.4
97.04086	1.3
98.02468	2.1
98.22642	0.7
101.07200	1.1
106.58099	0.4
111.04397	0.5
112.02814	0.8
112.07656	0.5
115.05139	3.3
116.03544	0.6
126.09260	1.8
127.05179	0.3
129.10355	11.4
129.11322	0.7
130.08751	2.4
133.02989	0.6
135.04532	1.0
139.08739	0.6
139.12407	0.6
140.07158	1.6
140.10818	0.8
141.10338	0.8
143.11909	11.2
151.08781	1.9
152.07158	0.9
153.05515	1.9
153.10364	3.4
155.08281	0.7
155.11926	2.1
157.13455	0.6
161.02464	0.6
165.10349	0.4
166.08775	1.1
167.11919	0.9
168.11435	10.5
169.09853	2.4
173.04543	0.3
179.03526	0.9
179.11909	2.0
181.36891	0.3
182.12976	0.8
183.11401	3.8
184.81808	0.3
186.12483	7.0
187.10889	3.2
197.12856	0.5
200.14124	1.5
210.12492	27.1
211.10910	0.7
211.12749	0.4
214.15620	17.5
215.15852	0.5
228.13531	13.3
229.13847	0.4
242.15068	0.6
252.20898	0.5
254.15100	0.5
258.14474	2.0
271.17786	0.5
299.17203	0.9
300.15820	0.3
327.24036	7.5
328.23788	0.4
349.22415	0.4
351.23987	0.5
371.23016	2.1
374.87747	0.3
384.26163	2.2
426.26996	1.2
463.79694	0.4
470.26212	100.0
471.26517	7.4
496.27914	0.7
514.28815	14.6
515.29248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98835	100.0
69.23380	0.4
69.23785	0.3
85.02969	0.2
90.56380	0.1
98.21929	0.3
165.00723	0.1
181.28960	0.1
240.76959	0.1
240.95390	0.1
387.95859	0.2
427.78314	0.1
452.33340	0.2
454.33884	0.3
521.16022	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	515.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42189	6.4
51.75992	7.3
53.02572	6.7
54.83608	6.1
69.03453	26.0
69.43526	22.5
78.95906	19.1
97.02947	27.3
98.21951	14.9
107.05045	65.9
109.02948	11.3
110.98544	7.3
111.04567	9.1
113.02461	10.3
125.02396	6.9
131.05077	9.2
142.47821	7.2
147.04530	85.4
171.08185	8.3
180.09065	6.7
185.02269	8.3
185.09734	9.5
195.08189	7.8
199.04010	9.7
199.07686	17.6
201.09184	14.6
209.09827	7.6
211.07610	13.1
213.09172	17.9
215.07133	10.8
225.09195	12.6
229.08701	18.7
237.09262	12.2
239.07246	10.0
241.08609	19.1
245.08199	8.7
253.08659	9.5
255.06529	8.0
257.08270	24.6
263.10733	19.0
269.08130	21.9
271.09793	7.9
277.12357	12.0
277.21790	49.0
278.22089	100.0
291.10080	9.8
303.10138	12.4
313.08954	8.3
318.08948	8.6
331.09808	15.2
343.13440	7.3
353.11829	9.7
355.13260	21.3
370.12146	8.9
371.12839	26.4
373.14325	11.4
389.14117	37.2
398.11273	8.7
399.12485	9.6
416.12689	34.1
417.13092	10.1
446.23944	26.4
497.16046	15.5
515.16742	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	515.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55898	13.4
57.93761	11.8
61.98825	15.5
62.67293	10.7
64.79553	11.2
69.03461	67.7
69.03785	10.3
70.19682	11.7
76.87476	11.3
81.03481	28.6
97.02962	93.7
98.22459	82.4
107.05035	73.7
124.01665	32.6
125.02458	100.0
129.88605	11.7
131.05063	23.1
142.59833	10.9
147.04512	90.5
161.06085	29.1
170.07295	13.0
171.08105	26.2
173.02524	12.6
173.06053	13.7
173.09732	13.0
183.08147	24.0
185.09729	36.0
197.06049	22.7
197.09715	16.3
201.09261	26.7
211.07619	49.6
212.04803	19.9
213.09207	33.9
223.07680	15.0
225.09131	14.0
227.07121	24.3
229.08746	33.8
257.08197	37.5
269.08228	17.7
331.09784	18.6
371.12909	41.2
386.11337	13.1
388.12918	16.1
389.13815	57.8
390.14575	12.1
416.12613	20.2
424.36420	13.8
453.16888	14.0
497.16150	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01162	7.0
69.03465	27.5
69.12498	50.8
74.65122	6.5
78.36614	6.6
79.40994	6.8
81.03487	7.0
87.16588	7.8
97.02966	43.9
107.05048	74.1
123.63621	6.9
124.01685	14.7
125.02426	20.7
125.79568	6.9
131.05031	11.2
133.06575	10.9
143.03494	8.0
146.13307	7.2
147.04530	100.0
161.06036	25.4
171.08130	13.1
173.06047	16.3
183.08177	11.7
185.09712	21.3
192.95911	9.7
197.61162	7.1
199.07686	21.9
200.03133	7.0
201.09261	18.4
211.07629	21.9
212.04851	11.7
213.09329	23.1
214.06430	8.8
217.08760	10.4
225.05829	8.6
225.09271	15.6
227.07176	19.1
229.08649	42.8
237.09190	20.4
239.07014	8.0
241.08714	18.0
251.07086	12.2
253.08597	13.8
257.08313	52.6
259.09619	12.8
263.10760	23.5
269.08170	27.0
271.09702	10.7
277.21786	8.9
287.10715	8.7
291.10187	20.9
303.10294	11.8
318.08975	18.7
325.12302	10.6
331.09692	22.3
353.12219	16.5
355.13406	15.0
370.11722	8.7
371.12860	38.8
372.13275	8.4
373.14346	10.5
389.13760	41.2
398.11417	21.7
401.14026	11.0
405.61627	9.0
416.12750	31.0
471.18430	11.7
497.15955	16.2
515.17188	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	515.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70525	5.7
61.98832	7.6
69.01424	5.4
69.03456	16.7
70.87067	6.2
70.89568	4.3
71.04994	4.3
78.95920	8.5
97.02962	29.4
105.32159	5.2
107.05045	57.4
115.04054	6.3
117.07549	4.8
122.65639	4.5
125.02404	6.4
131.05078	7.5
131.14999	5.0
133.72256	4.6
143.03488	5.2
147.04547	100.0
151.04071	5.4
157.06633	5.6
171.04448	6.2
171.08084	12.7
173.06123	17.4
173.09714	5.5
183.08192	13.3
185.09691	11.1
195.93326	6.8
197.06093	7.9
197.09711	10.6
199.07674	14.7
201.09261	20.3
211.07643	11.5
212.04782	14.5
213.09288	25.6
215.07121	8.7
223.07745	5.9
225.09189	15.5
225.40292	5.4
227.07172	22.7
228.08008	6.0
229.08746	13.5
237.09242	9.7
239.07167	6.4
241.08755	17.5
245.08078	9.5
251.07120	6.3
253.08728	14.2
255.62383	5.5
257.08252	30.3
263.07193	5.4
263.10834	10.1
269.08203	31.3
271.09799	17.1
275.10678	6.7
277.21832	14.8
278.22089	6.4
281.08234	9.2
287.10666	7.5
291.10318	12.2
303.10220	13.4
318.09116	9.6
331.09705	19.5
343.13586	7.7
347.09363	6.9
353.11835	19.0
355.13293	22.0
359.09210	9.6
359.13144	6.0
369.11444	6.1
370.12137	11.8
371.12830	35.9
373.14395	17.5
387.12088	8.3
389.13956	42.5
398.11505	14.3
399.12180	10.2
400.12909	7.0
416.12772	25.1
417.13214	9.4
439.12012	7.2
453.17459	6.4
458.13681	7.6
469.16672	5.9
497.15964	28.0
515.16986	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59300	0.5
59.01385	100.0
60.01710	0.8
60.91488	0.5
61.98846	1.0
62.58826	0.5
65.58638	0.5
71.01389	4.2
71.22340	0.4
71.39234	0.6
72.07861	0.5
73.02946	6.4
74.39743	0.5
83.01405	1.7
83.63541	0.5
85.02952	5.6
87.00874	0.5
89.02466	2.2
94.50247	0.5
96.96010	0.7
101.02451	5.1
111.00864	0.7
113.02486	2.5
119.03506	0.9
128.03529	0.8
129.02042	0.8
131.03528	0.9
133.02960	0.7
135.04572	1.6
143.03539	0.8
155.71106	0.5
161.02498	1.4
161.04570	1.8
179.03572	1.8
191.01993	1.5
203.07199	0.7
338.08133	0.9
351.31192	0.5
353.10294	2.8
384.94446	0.6
455.23227	1.1
515.20642	2.1
518.24908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57959	62.3
61.98842	82.1
73.11880	86.6
96.00182	98.4
126.46514	93.7
197.86984	78.4
199.24774	91.3
265.66156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.5
63.44773	1.0
64.54633	0.9
72.99323	1.5
75.00877	100.0
75.87719	1.0
78.95916	6.4
100.80900	1.0
110.39731	1.0
141.78627	1.0
152.99617	10.3
155.00089	1.2
163.11784	1.3
272.05600	1.0
274.09943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.0
61.98845	1.8
70.63972	2.1
71.01394	3.1
84.41797	1.0
85.02914	1.1
89.02447	1.8
101.02477	3.4
101.03348	1.0
113.02489	4.1
119.03522	1.3
125.09739	2.3
159.79280	1.0
161.22581	1.1
170.28357	1.0
185.11862	4.4
190.67853	1.0
197.11986	1.3
293.21252	100.0
294.21579	5.6
303.29382	1.0
335.22299	4.8
452.22546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
59.01386	6.1
70.63491	0.4
71.01386	3.9
73.02953	1.0
77.24408	0.4
78.89044	0.3
78.95916	2.3
83.01408	0.4
85.02984	0.9
87.00877	0.7
89.02458	3.3
94.82304	0.3
95.01389	0.4
101.02452	3.9
103.03979	0.3
113.02456	1.5
119.03510	0.8
123.28282	0.3
143.03535	0.3
152.99606	3.0
161.04628	1.5
165.78925	0.3
168.80365	0.3
171.79701	0.4
188.06725	0.3
206.43669	0.4
235.08281	1.3
253.09320	13.3
278.22107	0.6
279.23318	100.0
280.23685	5.6
433.23453	0.7
493.85501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01384	6.6
60.08432	0.1
61.98812	0.2
64.43200	0.1
67.80775	0.1
69.27410	0.2
69.27818	0.2
71.01386	4.5
72.99300	0.1
73.02954	1.1
75.00878	0.3
76.58920	0.1
76.94827	0.1
78.95894	0.3
81.52972	0.1
83.01384	0.5
85.02956	1.0
87.00860	0.5
89.02451	3.8
91.04049	0.1
95.01369	0.4
97.02953	0.3
99.00881	0.2
101.02453	4.2
101.62445	0.1
103.04004	0.1
112.14266	0.1
113.02453	2.2
115.04048	0.1
119.03524	1.0
125.02454	0.2
131.03500	0.2
133.05090	0.2
134.32211	0.1
138.46796	0.1
143.03523	0.4
152.99583	0.3
157.05110	0.3
161.04584	1.9
179.05641	0.5
235.08260	1.0
253.09305	14.8
254.09610	0.5
261.22244	0.3
277.21817	0.1
279.23303	100.0
280.23636	5.5
375.08401	0.1
379.18057	0.1
384.89700	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	515.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57141	1.2
53.29272	1.5
54.41340	1.4
66.39109	1.4
70.76698	3.0
70.85293	1.7
72.25834	1.4
92.69576	1.7
103.06361	1.4
163.11302	33.2
176.12021	3.0
177.12836	4.6
194.85617	1.5
208.10980	2.0
242.94266	1.5
281.15518	1.6
282.16171	5.2
283.16983	5.8
288.64944	1.6
299.24518	1.7
312.17096	1.7
313.14587	1.4
339.23309	100.0
340.23621	8.2
349.21573	1.8
351.23270	7.0
515.28113	2.9
515.35321	30.4
516.36078	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	516.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	45.0
61.98835	89.2
65.61017	1.4
69.11417	11.3
71.01389	7.3
75.00877	2.4
76.73035	1.5
80.07580	1.6
80.91693	1.9
85.02959	5.6
87.00888	3.9
87.04568	2.5
88.98827	1.9
94.98106	1.9
95.05023	2.4
98.22620	4.4
99.00935	2.3
101.02480	3.3
110.06114	3.1
113.02477	6.3
116.40926	1.6
116.92946	1.6
118.72846	1.7
121.63323	2.1
124.79401	1.6
129.01997	2.3
132.02249	3.2
133.02974	38.3
134.03758	5.1
135.04582	14.0
137.09724	4.4
141.01903	2.4
154.05099	6.7
160.01648	4.0
161.02455	100.0
162.02814	4.0
166.05069	3.2
175.04051	4.7
177.05655	1.9
179.03497	20.1
193.05055	7.7
207.13945	2.1
231.14120	2.4
235.16988	3.2
249.14999	4.7
281.06744	3.9
323.07709	5.6
334.12384	1.8
335.22321	13.8
336.22684	7.0
360.47958	1.7
438.19168	7.2
456.18988	2.0
515.28558	18.5
516.20374	5.2
516.29034	21.1
517.13391	8.7
517.20026	4.0
517.29370	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	516.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18915	1.1
57.03439	4.1
59.01384	34.6
61.63612	1.0
61.98837	100.0
68.68124	1.2
71.01392	2.5
71.42233	2.0
75.00880	2.3
85.02966	7.1
85.61407	1.1
95.01414	2.0
101.02467	2.6
113.02435	2.2
129.02011	1.4
130.75798	1.1
134.08144	1.1
135.04463	2.6
141.01950	3.3
151.11276	1.2
159.02942	1.7
161.02393	2.4
172.86362	1.3
179.03432	2.1
191.02017	2.3
207.13943	9.4
265.14474	4.9
277.14368	1.6
516.29266	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	516.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98836	100.0
67.34837	0.2
69.69796	0.8
71.01363	0.6
82.15229	0.2
85.02972	0.3
96.57088	0.2
98.21981	0.5
101.02481	0.3
104.86787	0.2
161.02403	0.3
482.21573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98835	100.0
68.99832	1.5
69.47282	0.6
69.47672	0.9
71.01399	1.5
73.02963	0.7
85.02966	0.7
89.02483	0.7
93.14230	0.4
99.00885	3.0
101.02476	0.9
113.02464	0.5
130.21712	0.3
161.04620	0.5
177.34889	0.3
228.32471	0.3
417.25281	1.1
516.28894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68303	0.3
50.78323	0.3
54.39532	0.4
61.98835	100.0
62.79393	0.2
67.33124	0.3
70.34139	0.2
76.08572	0.3
80.34559	0.3
145.80907	0.3
148.45319	0.3
226.15486	0.3
253.51704	0.3
290.67456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96229	0.3
52.10172	0.3
56.84708	0.3
59.01371	0.3
61.98837	100.0
65.23742	0.3
69.46003	1.3
110.41261	0.3
121.85389	0.3
144.01857	0.3
153.67317	0.4
429.39658	0.3
544.36206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03452	13.6
59.01382	13.6
59.72941	0.9
61.98829	1.0
69.12620	1.7
69.13034	3.2
71.01373	5.6
72.99284	0.8
73.02927	1.5
75.00877	1.5
76.33221	0.8
83.01389	2.2
84.02185	0.9
85.02954	100.0
86.03297	1.5
87.00884	1.1
89.02448	1.4
101.02458	2.0
103.00373	1.4
111.00886	4.0
113.02477	0.9
115.00440	0.9
119.05030	3.0
129.01952	9.5
133.01460	1.4
133.02930	1.2
133.28290	0.7
134.03761	1.6
135.04546	5.0
136.62080	0.8
140.38313	0.8
145.02934	1.2
147.02994	14.4
147.21114	0.7
147.49214	0.7
149.05942	0.8
161.02484	3.9
163.04062	3.0
173.00905	3.3
179.03577	4.2
191.01988	49.7
192.02351	1.2
193.05087	1.3
201.15399	0.6
209.03018	28.9
246.24451	0.8
285.13541	1.2
337.05765	1.5
349.57690	0.8
355.06680	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	517.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32379	2.7
57.03444	8.0
59.01387	62.6
63.02390	3.0
63.69624	2.8
65.00332	5.4
69.46558	11.3
71.01389	49.1
72.99323	4.3
73.02954	20.5
73.52458	2.5
74.65772	3.0
75.00864	4.7
83.01398	6.8
85.02956	83.2
86.67033	2.6
89.02460	19.0
91.01889	11.0
98.22659	5.0
99.00894	5.2
101.02452	22.8
105.01947	73.0
108.02174	4.0
109.02970	100.0
111.00887	4.1
113.02500	6.9
115.00392	68.6
116.92864	20.0
117.03483	4.3
119.03484	5.2
119.05006	3.6
121.02970	3.9
125.02472	3.9
129.01955	9.9
133.01450	16.8
133.02974	6.7
134.03726	4.9
134.87845	2.5
135.04532	8.6
140.79890	2.7
145.01436	6.7
145.02931	12.5
146.03760	12.6
147.02988	13.4
147.04521	7.1
151.00349	3.6
161.02466	33.4
169.01434	3.0
173.01030	4.9
173.02444	25.8
174.03256	36.4
176.04822	12.9
179.03535	8.2
187.11354	3.8
188.04807	49.2
189.05603	52.4
191.01970	38.8
191.07205	4.8
193.05046	6.7
194.18497	2.4
203.07170	35.7
205.12331	6.6
209.03053	50.8
225.05455	3.4
229.01402	2.8
249.11407	2.7
255.06718	3.7
265.04971	4.9
269.04584	61.9
270.05029	2.9
277.13391	2.7
282.05353	60.1
283.05994	14.1
296.06970	31.7
297.07712	97.8
298.08353	15.5
313.10895	54.4
336.68103	2.7
353.10522	3.2
355.06564	14.6
357.09802	40.0
383.07870	3.8
404.41165	2.6
473.10995	31.2
502.93625	3.2
516.28705	4.4
517.19482	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	517.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
58.69645	0.8
59.01385	18.6
61.98833	12.0
69.03430	1.0
69.75378	0.7
71.01391	10.9
71.40452	1.0
73.02959	2.8
75.00871	1.0
83.01411	1.1
85.02955	5.4
87.00898	1.4
89.02464	2.5
94.39816	0.9
95.36671	0.8
101.02452	4.2
107.05054	1.3
109.03007	0.9
113.02457	3.5
115.00355	0.9
116.66817	0.9
116.92856	4.5
117.03513	2.0
129.01904	0.9
132.02173	6.2
133.02963	22.0
134.03764	13.2
135.04538	94.7
136.04860	2.4
137.02428	1.5
145.02980	2.5
149.06087	8.5
159.04486	0.9
160.01682	20.0
161.02458	80.6
162.02812	2.0
175.04015	15.7
177.05580	13.3
179.03508	100.0
180.03845	2.8
192.15088	0.9
193.05042	5.4
203.03520	2.4
207.13988	1.3
221.04570	24.2
222.04994	0.9
233.04483	1.2
251.05603	28.8
276.17383	0.8
281.06699	36.4
282.07007	1.6
305.06891	1.1
323.07755	52.6
324.08017	1.0
337.09241	2.1
341.08826	36.0
371.11255	1.0
383.11334	1.7
517.13538	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	517.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01385	14.1
61.86565	0.8
61.98838	4.8
71.01391	6.9
71.07703	1.5
73.02942	1.5
78.01703	0.8
85.02953	4.2
87.00909	1.2
87.91975	0.9
89.02466	2.1
101.02439	3.6
104.52566	0.8
107.05000	1.0
107.93031	0.7
109.02957	1.2
109.10972	0.8
113.02443	2.3
115.00403	1.5
115.92039	0.8
116.92892	3.8
117.03434	1.3
132.02177	10.0
133.02977	29.0
134.03760	14.0
135.04536	83.3
136.04852	1.2
137.02361	1.8
145.03041	1.1
147.04533	1.3
148.05334	1.8
149.06078	9.0
160.00676	0.8
160.01668	23.3
161.02461	100.0
162.02817	2.5
175.04016	17.0
177.05573	17.5
178.02684	1.6
179.03514	90.1
180.03876	1.8
191.02010	1.1
193.05115	6.3
203.03497	3.8
217.05122	1.1
221.04556	29.3
233.04517	1.2
251.05621	33.8
252.05942	0.9
263.05563	0.9
281.06686	42.5
282.07031	1.2
305.06628	1.4
323.07739	57.7
324.07938	2.1
341.08795	43.1
342.09006	1.4
361.90878	0.9
371.11044	1.0
383.11273	1.4
401.52957	0.9
465.23227	0.8
517.13776	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59163	0.7
53.81960	0.7
59.01384	100.0
60.01735	0.8
61.98829	3.5
68.24886	0.8
69.12530	3.8
71.01388	47.2
72.99315	2.6
73.02959	4.4
77.22301	0.8
82.50877	0.9
83.01395	2.2
83.78693	0.8
85.02959	6.7
85.67024	0.9
87.00864	1.6
89.02450	5.2
92.87139	0.8
101.02460	7.3
111.00829	0.7
113.02442	4.1
115.00380	29.4
115.01163	1.6
119.03508	1.6
120.99706	1.0
125.87868	0.8
131.03477	1.1
133.01440	33.4
135.04544	2.4
135.08174	0.9
147.08018	0.8
160.01669	1.0
161.02444	2.5
161.04597	2.6
162.02890	0.8
179.03500	2.1
189.15480	0.9
191.01978	2.0
193.05013	1.2
207.10283	2.1
210.06966	1.7
226.06383	2.1
237.05513	1.4
238.06340	2.7
238.93822	0.8
249.05772	1.0
250.06410	4.0
251.07056	1.3
253.08838	1.3
254.05927	2.8
265.04907	1.1
267.03043	2.1
267.06677	1.2
277.04938	0.9
278.05835	2.2
279.06580	2.0
282.05322	6.8
293.04773	1.0
294.05447	5.4
294.08585	1.3
297.07675	8.8
309.07614	2.6
310.04877	1.3
311.09485	0.9
312.10086	2.5
322.04840	5.1
323.05426	2.2
324.06299	3.2
326.04117	1.0
336.06406	1.4
337.07181	17.6
338.04321	1.6
338.07932	3.2
339.08844	2.3
341.06674	5.5
351.08707	2.3
352.09564	8.2
353.06656	12.1
353.10431	2.7
356.09100	7.0
367.02374	0.8
368.09036	4.6
371.11371	33.7
383.11398	47.4
384.11951	2.6
457.24329	1.9
517.31555	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	517.1564
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03438	0.9
59.01391	4.6
60.37878	0.8
71.01380	3.0
83.41956	0.7
85.02961	6.3
89.02418	1.3
101.02409	1.7
111.00858	1.0
119.03509	0.9
121.02991	1.1
125.13170	0.8
129.01933	1.2
134.03751	51.0
135.04045	1.3
137.02438	3.8
139.04019	1.0
149.06078	14.6
153.05525	1.9
156.98267	0.9
160.01689	3.8
167.65060	0.7
171.82484	0.9
175.04025	3.8
178.02722	26.9
179.03299	0.9
182.02168	1.2
191.01973	1.9
193.05069	100.0
194.05418	2.5
197.04587	3.7
209.03091	1.1
217.00310	3.1
227.07062	0.8
229.00400	0.9
239.05690	0.9
339.55554	1.0
355.03473	1.9
355.10342	9.1
358.76538	0.8
359.09900	3.8
397.04581	1.2
423.20685	0.8
454.25732	0.9
504.18298	0.9
517.15723	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	517.1566
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.27446	0.7
55.36984	0.6
59.01386	20.3
70.72863	1.3
71.01386	11.8
72.28345	0.7
73.02957	2.8
83.01386	1.5
85.02945	6.5
87.00871	1.2
89.02457	12.9
89.03983	1.6
95.01387	1.4
97.02969	0.8
98.21859	0.6
99.00909	0.8
101.02454	9.4
113.02453	5.4
117.03463	4.0
119.03510	4.7
122.35571	0.9
125.02430	2.6
127.73170	0.8
129.89026	0.8
131.03491	2.3
132.01224	1.4
132.02187	18.9
133.02925	1.2
134.03749	64.9
143.03516	2.0
147.04555	2.0
149.06079	6.6
160.01669	65.5
161.02194	1.6
161.04564	1.8
174.03181	1.2
175.04013	66.5
176.04700	3.1
178.02721	5.5
179.05666	4.3
191.02122	1.2
191.07159	2.6
193.05066	100.0
194.05444	2.0
202.02766	2.5
217.05113	5.2
221.06642	3.6
235.06143	4.5
283.13568	0.7
323.09772	2.2
517.16205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.4
59.01385	54.1
71.01389	32.2
73.02955	17.3
77.90488	3.6
85.02470	7.1
85.02956	100.0
88.34464	3.4
89.02443	21.8
99.00886	26.7
101.02439	12.1
111.00905	5.8
113.02444	22.4
119.03491	4.1
119.05048	11.0
121.02956	15.0
128.90192	18.3
129.01938	11.6
132.02164	12.5
134.03748	38.7
135.04526	8.1
147.02959	15.0
149.04546	6.1
149.06049	4.7
153.05592	8.3
160.01691	54.9
173.00926	5.3
175.04012	93.2
178.02765	4.2
191.02019	46.8
191.05608	8.8
193.05083	59.3
197.04630	24.8
204.75961	3.9
209.03015	25.2
211.50053	3.9
227.06967	6.9
235.05975	4.3
259.06100	6.6
265.07266	5.7
272.54111	4.2
280.61896	4.2
281.10083	4.4
299.82819	3.9
323.10419	3.7
337.08359	8.1
341.12534	6.0
355.06680	13.3
431.15475	6.9
473.16629	30.5
517.11584	5.1
519.71161	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66855	0.5
54.92910	0.6
56.02943	0.6
57.44523	0.6
57.97733	0.6
59.01383	18.4
61.98836	2.8
69.03450	0.7
69.52189	2.1
71.01386	16.3
72.85300	0.6
73.02953	1.2
82.99937	0.7
83.01398	0.8
85.02959	2.8
87.00861	0.6
88.98795	0.8
89.02464	2.5
94.98107	0.7
96.05659	0.6
96.95996	0.7
101.02468	2.6
105.01885	0.6
111.00927	0.8
113.02432	4.5
115.00390	9.8
115.92051	0.9
129.01933	0.7
133.01440	0.9
133.03024	1.8
134.03717	1.8
135.04556	2.4
160.01668	0.8
161.02473	4.9
161.04611	1.1
175.03973	0.7
177.12865	2.9
179.03545	2.0
193.05070	5.6
195.13914	100.0
196.14235	3.6
206.34190	0.8
219.14018	0.6
221.04204	0.7
221.11983	0.7
239.12900	87.1
240.13269	3.0
251.07115	2.0
263.07059	1.3
263.12805	1.9
279.06610	2.8
281.14038	1.9
323.07974	1.3
338.07831	2.2
353.10318	9.2
354.10797	1.3
401.18057	7.3
517.18103	1.4
517.29944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66855	0.5
54.92910	0.6
56.02943	0.6
57.44523	0.6
57.97733	0.6
59.01383	18.4
61.98836	2.8
69.03450	0.7
69.52189	2.1
71.01386	16.3
72.85300	0.6
73.02953	1.2
82.99937	0.7
83.01398	0.8
85.02959	2.8
87.00861	0.6
88.98795	0.8
89.02464	2.5
94.98107	0.7
96.05659	0.6
96.95996	0.7
101.02468	2.6
105.01885	0.6
111.00927	0.8
113.02432	4.5
115.00390	9.8
115.92051	0.9
129.01933	0.7
133.01440	0.9
133.03024	1.8
134.03717	1.8
135.04556	2.4
160.01668	0.8
161.02473	4.9
161.04611	1.1
175.03973	0.7
177.12865	2.9
179.03545	2.0
193.05070	5.6
195.13914	100.0
196.14235	3.6
206.34190	0.8
219.14018	0.6
221.04204	0.7
221.11983	0.7
239.12900	87.1
240.13269	3.0
251.07115	2.0
263.07059	1.3
263.12805	1.9
279.06610	2.8
281.14038	1.9
323.07974	1.3
338.07831	2.2
353.10318	9.2
354.10797	1.3
401.18057	7.3
517.18103	1.4
517.29944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
59.01383	100.0
65.66477	1.9
69.16604	4.7
69.17001	9.9
71.01393	20.6
73.02950	46.0
83.01384	10.6
85.02977	12.8
89.02464	15.1
95.01368	2.6
101.02456	33.1
102.03167	2.0
104.90867	2.0
113.02461	17.5
119.03520	7.0
120.99635	6.5
143.03545	3.5
161.04568	8.4
179.05615	6.4
191.02092	2.4
305.32486	2.4
307.75391	2.3
448.48383	2.7
507.59973	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69530	1.6
59.01386	66.7
61.98837	3.9
69.66659	5.4
71.01389	13.1
73.02959	20.6
81.03492	2.6
83.01398	11.1
85.02951	10.3
89.02468	7.5
98.21890	1.9
101.02469	15.6
113.02460	11.0
118.98077	1.6
119.03516	4.1
120.99599	2.1
123.04532	4.3
125.02455	2.5
128.03535	11.7
135.04530	2.8
149.02435	3.6
161.02473	3.6
161.04573	5.0
165.05553	5.2
167.03520	8.5
171.07756	3.5
179.03609	2.7
179.05707	4.5
191.01962	3.2
191.03531	2.5
193.01526	9.4
193.02959	1.8
205.05095	4.7
209.04570	100.0
210.04941	3.2
224.81871	1.6
234.21751	1.6
249.05545	8.3
337.16800	1.8
488.44446	1.8
517.15625	32.3
518.15930	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.4
58.80578	0.7
59.01386	100.0
61.98835	4.2
69.15501	5.8
71.01388	50.7
72.99303	2.5
73.02955	6.2
83.01402	2.7
85.02956	8.0
87.00859	1.2
89.02453	4.8
98.86665	1.0
99.77122	0.7
101.02435	8.3
110.24004	0.8
113.02480	3.8
113.28046	0.8
115.00388	28.3
119.03523	2.0
129.60069	0.8
133.01448	31.5
133.02965	1.3
135.04547	2.0
143.03493	1.2
160.20982	0.8
161.02441	2.5
161.04599	2.3
161.49413	0.8
177.05620	1.1
179.03520	3.0
179.05670	1.5
191.02052	2.6
193.05019	1.1
207.10286	3.7
210.06866	1.7
213.09396	0.8
219.71999	0.9
221.06090	1.0
226.06348	1.5
237.05707	1.3
238.06348	2.9
249.05502	0.9
250.06383	3.6
251.07022	1.4
253.08734	1.5
254.05858	2.9
263.07166	1.5
265.05090	1.1
267.03018	1.5
269.08112	0.9
277.04944	1.0
278.05951	1.4
279.06543	2.5
282.05362	8.5
293.04791	1.1
293.08066	1.5
294.05435	4.9
297.07617	9.0
307.06174	1.0
309.04434	1.1
309.07620	4.2
310.04932	1.3
312.09906	4.1
322.04846	5.6
323.05573	2.4
324.06427	2.5
325.07236	1.0
336.06561	2.1
337.07175	21.0
338.04306	1.6
338.07846	5.4
339.08780	2.4
341.06680	5.7
351.08792	1.6
352.09537	8.5
353.06631	18.4
353.10403	2.9
354.07126	1.5
356.09058	6.8
368.08981	5.8
371.11346	39.7
372.11649	2.3
383.11383	55.9
384.07343	0.9
384.11615	4.4
415.23380	1.2
508.18726	1.0
517.21344	1.1
517.31128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22844	1.7
59.01385	100.0
59.87566	1.6
66.63357	1.9
67.14371	1.8
69.46027	7.4
71.01386	12.3
73.02953	27.8
83.01380	4.6
85.02934	2.7
89.02448	5.7
97.62846	2.1
101.02451	24.5
102.09715	1.6
104.97008	1.7
108.94753	1.8
112.18953	1.7
113.02448	14.6
114.84924	1.7
119.03519	2.3
124.32866	1.7
143.03558	2.5
149.04533	3.8
161.04648	8.7
199.75461	2.0
218.75807	1.8
281.56985	2.0
368.41437	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	517.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33125	0.7
59.01384	47.0
61.98833	1.3
66.45948	0.6
71.01385	2.7
89.02440	1.1
90.24799	0.7
95.01441	0.7
96.73151	0.6
101.02458	1.4
106.71326	0.8
109.91500	0.7
113.02455	3.2
129.68196	0.8
133.03777	0.6
171.10272	14.1
277.21774	22.1
295.22800	100.0
296.23065	5.4
304.33173	0.8
319.22910	1.5
333.61365	0.7
337.23752	0.7
396.07309	0.7
467.42007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30817	0.8
57.03440	3.2
59.01384	100.0
61.98835	63.6
70.23745	0.7
71.01390	8.1
73.02938	3.4
73.94784	0.8
83.01402	1.4
85.02958	14.8
89.09412	1.0
92.89787	0.8
96.96006	3.1
101.02445	2.7
111.00942	1.2
113.02448	3.3
115.00388	1.0
116.92856	1.3
119.05053	1.0
129.01938	3.4
132.02158	1.7
133.02979	12.5
134.03220	4.0
135.04556	13.1
136.04878	4.8
137.09721	1.0
143.03520	1.7
147.04515	1.2
149.06117	1.3
153.05556	1.1
160.01657	1.9
161.02460	41.9
161.04565	1.7
162.01544	1.5
162.02806	20.0
163.04057	1.9
172.05714	0.8
175.04015	2.2
176.04639	1.1
177.05557	1.4
179.03482	13.7
180.03880	6.5
191.01930	2.1
192.11588	1.0
193.04993	2.1
203.05594	3.7
207.13889	11.4
210.31024	0.8
221.04591	1.8
222.04906	1.3
222.74651	0.8
236.06552	1.1
247.56313	0.8
251.05804	1.8
252.05940	2.5
281.06659	2.0
282.06998	2.1
306.07706	1.2
323.07690	3.0
324.08151	4.7
341.08920	1.8
342.09070	3.1
363.41232	0.9
399.23798	10.6
413.57962	0.8
417.24677	1.9
459.25931	1.3
518.13776	5.0
518.20947	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	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75151	0.9
54.19056	1.1
57.03448	1.3
57.70113	0.9
58.02975	3.5
59.01384	45.9
61.98836	100.0
62.30645	1.0
68.45796	0.9
69.10157	4.8
69.10567	2.4
71.01392	10.6
73.02951	11.2
74.02483	8.6
82.02982	1.6
83.01394	5.0
83.66535	1.0
85.02958	4.5
86.02486	3.0
87.05646	2.3
89.02434	3.1
90.65350	1.0
95.01337	1.0
98.22696	1.7
99.05662	7.8
101.02451	11.8
101.07243	1.9
110.34946	1.0
112.04027	1.3
113.02468	5.3
115.00383	2.0
116.00711	1.2
116.92874	3.5
119.03516	2.2
123.05714	1.1
125.03574	1.1
127.05119	1.8
128.03560	22.5
129.01970	1.9
131.03575	1.9
133.01469	2.2
133.03015	2.2
134.03784	1.3
135.04533	2.5
135.05667	2.9
137.09721	2.1
141.06715	1.7
143.03687	1.3
143.04637	31.7
145.06218	2.3
146.04581	2.8
147.04642	1.1
147.72064	1.0
149.04565	2.6
153.06693	3.5
160.00746	10.3
161.02449	2.9
161.04562	3.7
162.02820	1.8
165.74707	1.0
166.09801	1.1
167.04654	2.1
167.08293	1.1
177.03384	4.0
179.03333	1.2
179.04639	5.3
181.06285	1.1
184.10861	1.4
197.05760	1.5
210.08914	6.1
221.06606	0.9
223.32434	1.0
228.09895	1.0
231.31310	1.2
250.32405	1.2
254.07857	8.2
272.08908	12.6
279.91556	0.9
288.06714	4.7
293.41507	1.0
297.07663	1.6
300.02042	1.0
306.07669	59.3
307.08051	1.6
338.07495	1.6
339.08441	1.1
354.06961	1.2
357.09741	5.0
372.11642	3.0
383.11487	1.3
384.11584	4.0
519.23785	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	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67499	1.6
61.98843	7.4
70.70811	3.1
76.93285	1.5
78.95913	81.0
96.96961	7.7
101.03095	1.7
101.33363	1.5
105.61404	1.5
126.22424	1.5
137.80745	1.6
150.98033	2.9
152.99600	100.0
167.99562	1.7
171.00668	2.1
216.42224	1.9
238.07280	1.7
398.63000	1.8
431.22028	35.9
432.22272	2.2
450.48917	1.5
518.25415	2.3
519.26886	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	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98820	0.5
62.96398	0.4
69.09565	1.7
69.09975	0.7
70.06207	0.4
78.95909	47.1
82.70091	0.3
96.96966	5.9
107.94118	0.3
145.66634	0.3
150.98041	1.8
152.99599	100.0
153.99971	0.9
171.00662	4.5
250.57500	0.4
253.35599	0.4
277.21777	0.9
333.48764	0.4
431.22037	19.7
432.22379	1.0
490.68652	0.4
505.50211	0.4
518.25305	2.8
519.24872	0.3
520.13696	0.4
541.82239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98834	100.0
69.33682	1.3
144.98848	0.3
189.06683	0.3
291.19598	0.3
306.44156	0.3
407.38290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94161	0.2
61.98837	100.0
62.06803	0.2
66.55385	0.2
69.37756	0.8
109.83201	0.2
116.31278	0.2
247.20035	0.2
260.16519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03454	14.7
59.01385	21.4
63.47645	1.6
68.99815	1.3
69.86109	1.3
70.10143	1.5
70.10493	3.9
71.01379	15.4
72.99314	3.1
73.01740	1.2
73.02953	6.1
75.00890	2.2
83.01384	7.4
84.02156	1.6
85.02957	100.0
87.00855	2.1
88.98819	5.8
89.02460	3.8
95.01436	1.3
98.21865	1.6
99.00892	3.3
101.02448	6.4
111.00883	13.4
115.00381	5.1
116.92821	2.2
121.02958	18.1
129.01949	46.3
129.23076	1.4
133.02986	9.7
133.06589	1.6
135.04530	4.3
141.01823	1.6
147.03017	4.9
147.04506	9.5
153.05588	13.2
155.10806	7.1
161.02446	5.0
161.06065	2.2
171.84438	1.4
173.00920	11.6
177.01952	5.5
179.03485	2.6
181.01588	1.6
182.02231	1.8
187.07747	2.8
191.01952	7.0
191.08199	2.2
197.04558	36.3
198.04889	2.1
199.09802	5.0
204.70078	1.4
215.07175	4.3
239.11902	1.9
253.06165	2.0
265.07159	1.9
268.08542	1.8
271.67694	1.4
277.07172	8.4
281.06610	1.6
283.11017	6.7
309.08679	2.2
327.06732	3.1
327.10208	2.5
345.10980	1.8
371.08871	5.0
403.11096	12.0
519.14716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03450	15.3
59.01381	11.7
61.98827	5.3
71.01394	4.1
72.99313	1.0
73.02937	0.8
75.00900	0.6
83.01373	5.9
84.02169	1.6
85.02956	100.0
86.03261	0.6
87.00862	1.1
96.96013	7.5
101.02451	1.2
103.00421	0.9
104.31289	0.7
111.00886	12.2
113.02438	1.1
115.00465	0.7
119.05064	1.0
121.02951	8.7
123.00878	1.7
129.01953	36.1
129.33917	0.6
133.02977	1.8
135.04558	2.0
138.03268	1.9
139.00381	1.6
145.01468	0.7
147.03029	7.9
147.04532	13.7
149.02437	0.6
150.07513	0.6
153.05585	6.6
157.23053	0.6
161.02432	3.4
161.06093	1.1
162.02898	0.6
163.04056	1.3
173.00909	9.1
179.03557	1.4
181.05208	0.7
182.02196	2.2
187.07692	1.2
191.01993	13.1
196.03746	0.8
197.04564	15.3
215.07111	3.1
222.05469	0.8
265.07239	4.4
277.07291	3.4
327.07190	5.1
339.07275	2.1
403.18130	0.7
437.55438	0.8
459.12891	0.9
502.00864	0.7
519.16547	1.0
541.63885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70892	2.7
58.02986	7.9
59.01389	21.5
61.98833	5.9
71.01372	4.7
74.02476	19.5
77.43136	3.2
82.02956	3.8
83.01377	3.8
85.02980	7.7
85.04117	3.3
87.05671	4.5
88.49690	3.8
96.04588	12.1
96.77669	2.9
97.04089	13.5
98.02489	6.2
98.22665	5.7
99.05656	14.1
99.92424	2.9
100.00399	4.0
101.02467	8.7
105.99721	10.6
107.05048	11.7
108.02211	8.5
108.04566	9.4
110.02496	5.1
112.04058	10.1
112.07697	13.4
113.03587	6.1
122.03767	5.2
123.04549	11.7
124.04069	12.1
125.03542	3.6
125.04820	3.0
126.05611	3.8
127.05160	11.7
129.07103	14.9
133.02916	3.6
135.04546	4.4
135.35188	2.8
137.07199	7.4
138.05643	3.7
140.07179	19.7
147.04575	4.1
147.08147	4.5
152.03438	3.4
155.08272	37.2
161.02481	4.2
165.06711	22.1
165.95540	2.8
169.06157	3.2
173.06104	12.2
175.04062	3.7
177.03407	3.4
178.01096	4.0
179.01799	22.2
180.02524	12.9
181.03300	7.4
183.07748	49.3
189.05624	13.6
206.00493	3.5
207.01221	7.3
208.02057	15.7
209.02771	10.6
225.05199	3.6
227.06752	100.0
229.08736	6.7
236.01505	26.0
239.07280	3.6
241.08725	11.3
257.08145	6.3
258.03732	5.1
259.03937	11.4
259.09756	9.6
261.05505	78.3
273.05893	19.2
279.10223	6.4
291.07013	57.4
297.11346	23.0
300.16971	3.2
315.12399	39.7
315.15814	6.1
355.91553	3.0
518.31744	6.2
519.14392	6.8
519.26935	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66647	4.0
57.03454	5.0
59.01384	74.3
61.98829	10.5
62.34052	3.8
62.51463	3.3
66.03455	3.5
67.23685	3.6
70.89216	5.1
70.89573	5.2
71.01392	12.1
73.02946	9.0
74.02471	19.7
78.78748	4.3
82.02963	4.8
83.01380	6.3
83.17889	3.9
85.02965	28.3
87.05620	5.2
89.02445	4.4
96.04550	10.7
97.04116	6.3
98.02480	5.7
99.00904	4.4
99.05642	10.8
101.02455	12.6
105.99649	7.2
108.04552	14.1
112.04045	9.4
112.07706	11.3
113.02427	6.8
113.03606	4.2
124.04030	11.1
126.05628	9.8
127.05148	13.9
129.01964	4.8
133.02950	5.2
137.07159	5.5
140.07199	19.7
147.03032	4.5
149.06042	4.9
152.03546	8.5
155.08240	32.6
161.02486	6.8
165.06732	21.0
175.04153	5.1
179.01721	18.8
179.03275	6.1
180.02492	11.0
181.03349	4.6
183.07773	60.0
191.01883	10.3
194.00497	4.7
207.01195	8.3
208.01941	18.9
209.02774	13.9
227.06766	100.0
229.08672	7.9
236.01538	32.0
239.03218	4.2
241.08672	9.5
257.08258	3.9
259.04102	6.1
259.09601	9.1
261.05518	73.9
273.05997	15.7
291.07001	57.3
297.11530	6.2
324.71164	3.9
399.23813	9.7
447.95804	5.8
456.32193	12.9
475.25644	11.5
518.31964	9.4
519.16895	6.4
519.31305	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	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.2
58.38906	1.1
59.01385	73.3
67.05524	1.3
69.16978	6.6
71.01388	70.1
72.99311	3.4
73.02958	1.6
83.01414	1.7
85.02969	13.8
87.00900	3.0
88.98833	1.4
89.02459	52.9
95.01395	2.5
99.04527	4.4
101.02454	21.3
109.02960	4.2
111.00906	1.9
111.04513	1.2
113.02470	15.7
115.00383	39.3
119.03513	21.4
119.04884	1.1
123.04557	1.6
124.05357	1.6
129.02011	1.6
131.03508	2.7
133.01443	32.3
133.02942	1.7
135.11787	5.3
139.04105	1.1
143.03505	4.9
145.02933	1.6
147.04562	6.9
149.04556	1.5
159.04510	3.9
161.02470	1.8
161.04549	6.9
161.09731	3.6
168.73256	1.3
179.05635	23.4
179.10789	45.9
180.11136	2.1
197.11871	1.6
223.09767	100.0
224.10121	3.5
229.01418	5.0
241.10857	3.5
249.05568	1.4
267.06705	3.4
269.08307	5.5
276.60510	1.2
277.05032	2.6
283.11490	1.5
295.06232	2.8
313.07117	3.3
339.05154	13.9
339.12268	2.1
340.05539	1.9
359.17014	3.1
403.16095	72.7
404.16357	5.5
519.17145	9.0
519.24591	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1726
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
55.01885	1.3
57.03441	2.2
59.01086	1.3
59.01382	22.2
65.00330	1.3
67.41509	0.8
71.01019	1.4
71.01382	17.2
71.39586	0.9
72.99317	0.8
73.02948	2.5
75.88401	0.7
83.01382	4.2
85.02960	18.9
87.00879	5.3
89.02450	12.5
93.03458	3.6
96.96013	2.3
99.00877	1.9
101.02453	10.1
105.07125	1.4
107.05038	100.0
108.05363	2.6
109.02983	0.8
111.00896	3.8
113.02459	4.4
115.00359	3.3
115.05524	2.9
117.88913	0.8
119.03520	4.3
119.05023	2.1
121.03002	5.8
122.00103	1.4
123.00894	1.5
125.02425	1.9
127.00377	2.3
129.01949	5.8
131.03525	1.0
132.02164	0.9
133.01408	2.0
133.02980	2.1
133.06602	22.8
134.03780	4.0
135.04463	1.2
137.02458	10.6
139.04051	0.9
143.03455	1.2
145.02986	1.8
147.02989	1.5
151.07654	25.8
152.08022	1.0
153.05551	3.3
155.03542	2.3
160.01665	4.3
161.02351	1.6
161.04579	2.8
163.04018	3.0
173.00893	4.1
175.04024	7.8
177.05551	1.5
179.05591	3.0
179.10779	2.4
181.01440	11.6
182.02090	1.2
191.02103	1.5
193.05070	4.5
195.06635	33.0
196.07069	1.3
197.04529	8.7
209.04907	0.8
221.06721	4.3
223.09731	6.1
233.04614	1.0
241.10941	1.1
264.19989	0.8
293.06696	1.2
321.06314	4.2
357.12003	6.5
403.15842	4.2
475.17151	0.9
516.86035	0.9
519.17139	45.7
520.17462	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.85088	9.8
71.01384	53.9
73.02931	6.0
77.09554	3.1
83.01375	5.4
85.02953	19.1
85.87312	3.4
88.98808	5.8
89.02456	64.1
98.22601	5.0
101.02456	22.8
113.02471	23.0
119.03533	26.2
128.03517	3.8
133.01421	3.3
133.02974	8.0
135.04536	5.3
143.03546	4.1
145.02844	3.3
147.04510	3.7
161.01074	2.8
161.02411	12.9
161.04578	4.3
179.03494	6.5
179.05638	9.6
225.09160	3.1
235.07594	3.0
253.08531	4.7
263.07181	13.8
265.08679	5.0
281.08237	21.9
291.06583	3.5
292.07489	4.1
293.08252	5.2
296.10571	4.1
308.10522	3.1
309.07700	87.6
310.08420	3.4
318.61731	3.1
323.09338	5.9
324.10007	39.5
339.12418	74.5
340.12692	5.1
360.83740	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	519.1879
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
51.91006	0.8
57.03438	1.7
59.01385	31.9
59.31588	0.9
61.98835	5.5
63.68165	0.8
69.03478	1.2
71.01387	13.9
73.02972	2.5
75.00893	0.8
83.01397	1.2
85.02964	13.8
87.00891	1.8
88.98814	2.0
89.02457	6.7
95.01405	1.3
99.00950	1.0
101.02451	6.2
103.04486	0.8
108.02145	1.3
109.02951	1.1
113.02458	7.9
115.00438	1.5
115.66925	0.9
116.92857	1.1
119.03526	1.9
121.02957	6.6
122.03779	4.2
123.04540	1.2
129.01956	2.3
131.03510	0.9
133.01440	2.2
133.02975	3.9
133.06688	0.8
134.03717	2.3
135.04572	5.0
136.01675	73.2
137.02458	3.3
147.02994	1.5
147.04605	1.1
151.04025	100.0
152.04346	1.4
160.05405	1.2
161.02484	4.6
161.04607	2.6
163.03986	1.2
175.04059	0.9
175.07610	1.4
177.01973	1.5
177.05489	1.4
178.96288	0.9
179.03540	4.5
179.05629	2.5
187.04166	1.0
191.02013	2.4
191.03714	1.0
197.04425	0.9
198.58437	0.9
215.87549	0.9
267.06726	1.1
267.09772	1.9
306.07822	0.9
311.09741	1.1
311.12906	1.4
313.10727	0.9
323.09613	1.5
339.08945	1.1
342.11050	3.6
357.13470	97.5
358.13831	4.6
417.33896	0.9
434.43417	1.0
459.22449	1.2
477.23340	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
56.20937	0.7
57.03452	14.0
58.14890	0.6
59.01384	34.5
61.98820	1.2
69.12648	2.8
69.13045	1.5
71.01382	5.1
72.99312	1.2
73.02930	0.8
75.00872	2.1
83.01382	2.5
84.02199	1.2
85.02958	100.0
85.79156	0.7
86.03296	1.3
87.00885	1.2
89.02506	0.9
98.88393	0.6
99.00887	0.8
100.98129	0.6
101.02464	1.3
103.00371	1.7
108.37753	0.6
111.00893	4.8
113.02486	0.7
115.00370	1.1
118.54403	0.7
124.61294	0.6
129.01073	1.1
129.01950	10.9
133.02963	1.6
135.04520	0.9
139.12943	0.6
147.03004	13.1
161.02449	3.2
161.04527	0.7
173.00868	3.2
191.01993	49.4
192.02414	1.2
193.05109	0.9
197.04536	1.3
209.03038	1.7
285.70663	0.6
316.56723	0.6
327.21942	1.3
385.41257	0.6
399.23883	3.0
417.25101	1.1
459.27591	0.7
519.24512	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03174	0.8
57.03453	13.5
59.01382	13.4
61.98825	4.0
71.01392	5.5
72.99316	1.4
73.02952	1.4
75.00874	3.3
83.01368	3.1
84.02177	1.6
85.02956	100.0
86.03289	1.0
87.00876	1.4
89.02482	0.8
98.21880	1.3
101.02470	1.0
103.00404	1.3
111.00884	5.0
113.02450	0.5
115.00381	1.5
121.23002	0.5
129.01953	11.8
133.01466	0.5
133.02969	2.7
135.04543	3.3
145.01511	0.5
147.03017	11.5
161.02490	5.1
162.02733	0.6
167.37550	0.5
171.10275	0.6
173.00954	2.9
173.08142	0.5
179.03522	2.4
191.01988	49.8
192.02371	0.7
195.06557	0.5
209.03040	1.8
216.97858	0.5
224.55417	0.5
258.39340	0.5
311.06271	0.5
327.21701	1.8
356.63348	0.5
501.23654	0.9
519.14233	0.5
519.16919	0.7
519.24603	6.2
519.31604	1.0
520.24512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07955	1.0
57.03436	3.6
59.01386	100.0
61.98814	3.1
69.49852	5.3
70.87088	1.1
71.01389	9.9
73.00197	1.0
73.02945	3.9
81.47520	1.2
83.01383	3.8
85.02959	21.7
89.02471	4.4
98.21928	2.3
101.02469	7.4
111.00880	3.3
113.02431	7.6
115.03987	1.4
129.01964	4.1
134.38271	1.2
147.04514	1.8
153.05598	2.0
161.02484	1.6
161.04546	2.7
173.00955	1.6
191.02003	3.6
191.05394	1.2
193.05960	4.1
194.47333	1.2
197.04576	5.1
215.07076	1.4
217.70697	1.2
237.04474	1.3
269.15503	1.8
271.03635	4.9
399.23962	18.9
417.24896	8.7
459.29999	2.7
475.26602	1.2
477.30490	2.3
514.39551	1.2
519.29443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41002	0.4
51.20650	0.4
57.03450	1.7
59.01383	100.0
60.01726	1.1
61.98836	2.9
70.36047	0.6
71.01382	5.0
72.99316	0.5
73.02969	1.0
75.00876	0.4
79.58321	0.4
82.02996	1.1
83.01408	0.7
85.02954	10.4
87.00875	0.6
87.04529	0.5
89.02470	1.1
94.03030	0.9
96.96057	1.2
99.00857	0.6
101.02470	1.8
111.00939	0.7
113.02453	4.1
115.00391	1.3
115.92153	0.4
116.92923	0.5
119.05059	0.9
121.03014	0.5
129.01973	1.8
132.02150	0.5
133.02989	3.8
134.03450	0.7
135.04573	4.7
136.04930	0.5
147.03056	1.1
154.05159	1.7
161.02458	9.2
161.04633	1.7
162.02792	3.3
163.02974	1.3
173.00948	0.5
175.04150	0.6
179.03522	3.8
180.03885	0.6
191.02037	2.8
197.04402	0.6
255.19725	0.4
315.08945	1.5
317.19974	0.4
325.08633	0.5
327.61053	0.5
399.23880	10.8
400.24197	0.5
417.24902	3.0
459.25854	2.0
519.13330	0.8
519.19562	0.7
520.21967	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	520.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04095	0.9
59.01384	24.4
60.19355	0.8
61.98836	100.0
66.43336	0.9
70.22466	2.2
71.01396	2.1
85.02928	1.2
89.02467	1.3
101.02422	1.5
102.47266	0.8
113.02427	1.2
136.70465	0.8
161.69948	1.0
169.33745	0.9
179.03558	0.9
191.49596	1.0
371.20236	1.9
520.26532	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45759	1.2
56.40616	1.3
59.01383	46.0
59.14716	1.1
61.98834	100.0
69.50028	2.7
71.01381	3.9
71.54340	1.5
73.02940	1.8
76.51608	1.1
78.52744	1.2
85.02956	5.0
89.02483	1.6
90.13034	1.1
98.57818	1.2
101.02450	3.0
102.00706	1.4
114.66171	1.1
121.02940	1.3
133.02989	2.1
135.04512	5.0
161.02464	7.2
179.03534	3.7
197.04552	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	520.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01384	49.0
61.98836	100.0
67.22538	0.7
70.65253	0.9
71.01392	5.6
73.02966	2.4
74.02483	1.4
85.02959	5.4
87.00890	0.9
89.02463	1.9
91.13018	0.7
92.35825	0.8
98.22704	1.8
101.02456	3.5
106.42491	0.7
113.02486	1.7
119.03603	1.1
129.01990	1.0
133.01433	0.8
133.02979	1.1
135.04575	2.4
151.04059	0.8
152.78430	0.7
161.02507	3.4
161.04620	1.1
179.03545	2.0
187.24957	0.8
191.02072	1.3
197.04614	1.0
198.11552	0.9
371.20688	1.4
413.22058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70176	1.4
56.42463	1.5
58.02980	19.8
59.01367	4.1
60.05661	1.4
71.38705	1.8
74.02480	34.4
74.65127	1.4
81.04586	2.3
82.02996	4.5
84.04581	1.8
85.02956	6.3
86.02479	13.2
86.06116	3.3
87.05652	4.5
88.04071	1.7
95.02514	1.7
96.04564	2.4
97.04079	3.0
99.05651	29.7
101.07202	5.3
102.05612	5.9
107.06188	1.9
108.04530	1.6
109.04069	4.9
109.07723	3.7
111.05654	3.1
112.04050	3.6
123.05645	3.4
124.04017	2.1
125.03577	4.7
126.04379	2.2
127.05155	8.8
128.03557	76.0
133.02989	11.9
135.04527	8.0
135.05649	13.8
141.06740	3.9
143.04637	100.0
144.05028	2.2
145.06213	4.2
146.04587	11.0
149.07179	2.1
153.06709	7.2
154.41083	1.7
161.02466	34.9
166.09845	4.6
167.04596	4.7
167.08336	8.2
170.03336	2.5
171.04063	2.5
173.02373	1.5
179.03429	6.6
179.04753	24.6
181.06207	2.8
185.05759	2.6
192.07800	4.5
197.05836	2.5
210.08850	24.3
213.14970	6.8
228.09885	3.2
236.07054	1.5
247.13705	16.0
254.07838	56.5
272.08905	77.5
273.09079	3.8
315.04965	2.0
323.07761	6.5
351.01282	1.7
391.19077	11.7
502.22427	16.7
520.23376	92.3
521.12787	3.6
521.23657	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64071	0.5
59.01394	0.8
78.95908	45.0
85.71879	0.5
89.38519	0.5
96.96976	5.5
101.17287	0.5
150.98013	2.1
152.99600	100.0
153.99960	1.0
171.00677	4.3
279.23187	0.6
355.38846	0.6
417.48288	0.6
433.23590	21.0
434.24069	0.8
468.68515	0.6
520.26898	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	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04675	2.0
69.05098	3.6
78.95911	71.4
81.44526	0.8
96.96982	4.4
103.24059	0.8
104.40643	0.9
113.87624	0.8
140.26334	0.8
150.98021	1.6
152.99597	100.0
171.00635	2.6
171.79366	0.8
172.95058	0.9
176.15317	1.0
178.97263	0.8
277.21777	4.7
278.22043	6.6
279.23343	2.0
312.57849	0.8
340.45062	0.7
393.76569	1.0
433.23618	35.7
433.29584	1.7
434.23935	2.9
446.24127	1.1
500.62347	0.9
520.26611	3.0
546.91071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64079	0.8
62.45635	0.8
78.95910	68.4
83.61081	0.8
88.59001	0.8
96.96960	6.2
122.20947	0.8
138.29318	0.8
150.98024	2.4
152.99600	100.0
154.89890	1.0
171.00632	1.9
260.46594	0.8
272.79730	0.8
277.21762	4.0
278.22144	5.4
279.23279	2.7
433.23633	35.6
434.23813	1.5
446.24298	1.7
520.26776	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04402	1.0
59.49377	0.8
61.17314	0.9
61.73085	0.9
69.55349	4.3
73.90768	0.8
78.95909	68.6
96.96970	6.6
150.98029	1.8
152.99599	100.0
171.00667	3.5
239.84363	1.0
277.21591	1.5
279.23306	2.0
433.23630	36.5
434.24039	2.1
520.26892	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	520.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21649	0.4
61.98834	100.0
62.81861	0.5
69.56152	1.5
69.56496	0.5
87.94814	0.5
88.86103	0.4
125.42519	0.4
262.89185	0.6
322.21997	0.5
431.10086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98834	100.0
65.99493	0.7
69.22473	3.8
71.88199	0.8
83.07379	0.8
130.21478	0.9
138.06888	1.0
142.54001	0.7
217.46915	0.8
236.01959	0.8
340.07968	0.8
404.81790	0.8
438.20819	1.3
478.29294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1304
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
67.00765	1.2
70.87325	1.5
100.54022	1.2
117.03487	1.3
121.02989	11.9
123.00921	1.5
132.02173	1.4
133.02971	35.5
134.03746	3.8
135.04532	57.2
136.59340	1.1
137.02446	2.9
138.03305	1.8
143.86577	1.1
153.05574	6.5
161.02457	100.0
162.02820	2.9
179.03514	61.9
180.03828	1.3
181.01323	2.3
182.02348	2.4
187.54921	1.1
193.05099	1.7
197.04570	15.2
221.04523	2.7
224.03224	1.4
239.05626	2.0
281.06528	1.5
286.33551	1.3
323.07755	6.3
326.06226	1.6
327.07343	2.2
341.08694	1.7
359.09915	3.4
428.21906	1.1
521.12891	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20731	0.3
54.10649	0.3
55.01890	0.4
59.01381	5.0
61.98833	7.6
70.20820	0.8
71.01380	2.5
73.02950	0.9
81.03445	0.4
83.01406	0.6
85.02957	2.1
87.00880	0.5
89.00366	0.7
89.02469	0.5
95.01352	0.3
101.02446	1.2
105.03443	0.5
105.06381	0.3
106.00610	0.6
107.05045	0.9
109.02953	1.1
111.00910	0.8
113.02468	2.0
117.03484	0.7
121.02959	8.6
123.00890	0.8
123.14472	0.4
132.02165	2.2
133.02968	30.6
134.03780	3.5
135.04535	51.2
136.04829	0.8
137.02469	2.4
138.03221	1.3
139.00349	0.6
139.04007	1.1
139.11316	0.7
146.03757	0.8
147.04547	0.6
149.06104	1.1
153.05573	5.9
155.03522	0.5
159.75282	0.3
161.02455	100.0
162.02832	2.0
163.04039	0.3
164.04887	0.5
165.01909	0.3
166.99860	0.8
177.05559	1.3
179.03506	60.1
179.06921	1.2
180.03894	1.3
181.01411	2.5
182.02238	2.7
193.05042	1.2
196.03780	1.5
197.04561	18.1
197.06401	0.8
201.11269	0.8
203.03555	1.1
211.06192	0.5
221.04503	2.0
224.03242	0.9
233.04498	0.6
237.66838	0.4
239.05600	2.7
251.05678	0.8
281.06631	3.0
311.04175	0.4
318.41614	0.4
323.07733	6.7
326.06256	1.0
327.07278	1.7
341.08853	2.7
347.16672	0.4
359.09857	3.4
389.18170	1.7
461.10449	0.5
477.19919	0.7
521.12897	8.6
533.53131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1308
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
58.02965	1.0
59.01390	2.0
61.98833	0.4
70.82912	0.7
71.01384	2.3
72.70771	0.5
72.88318	0.3
73.02962	1.1
74.02474	1.2
77.90694	0.4
80.80230	0.5
83.01369	0.4
85.02970	2.3
85.03432	0.3
85.04077	0.5
86.02492	0.6
89.02445	0.6
95.05056	0.5
96.99284	0.5
99.05673	1.5
101.02441	1.2
101.07237	0.5
105.03461	0.7
107.05032	0.7
109.02926	0.7
113.02471	0.7
115.01918	0.5
117.03502	0.6
121.02951	3.8
123.00903	1.1
124.01627	0.4
128.03540	3.2
129.03893	0.5
132.02202	1.4
133.02969	32.9
134.03789	2.2
135.04538	29.5
136.04822	0.5
137.02397	0.8
143.04639	4.9
144.04999	0.7
147.04553	0.8
149.06105	2.8
153.05600	3.2
160.01674	0.7
161.02455	100.0
162.02779	2.4
175.04010	1.1
177.05585	4.3
179.03496	28.3
181.01451	1.2
182.02208	1.4
183.02945	1.7
196.03786	0.5
197.04558	5.0
203.03558	2.6
210.08923	0.6
211.06091	1.0
220.03952	0.5
221.04549	6.5
224.03267	0.7
225.03908	0.6
233.04617	0.5
239.05597	1.6
251.05571	4.3
254.07794	1.4
255.08209	1.0
263.05841	0.9
272.08856	2.8
273.09177	1.3
281.06677	3.5
285.06107	0.6
323.07727	44.1
323.33383	0.4
324.08063	1.6
327.07333	0.6
341.08844	2.6
461.11163	0.8
520.23315	2.0
521.12952	13.4
521.23773	3.0
522.13214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.3
66.33331	0.8
68.90144	0.8
71.01390	21.5
74.88986	0.9
82.09276	1.0
83.01400	1.0
85.02946	3.9
89.02445	20.5
95.01402	3.7
98.22725	1.3
101.02450	9.3
109.24060	0.7
112.51910	0.8
113.02448	5.2
119.03519	7.6
121.02991	0.9
123.00896	12.0
123.14466	0.9
123.15453	1.0
131.03493	1.5
137.02457	3.1
138.03235	8.2
143.03583	1.0
149.04553	0.9
153.05603	5.3
161.04596	2.2
166.99875	19.2
179.05621	7.2
181.01355	2.6
182.02219	74.8
183.02544	1.1
196.03830	1.0
197.04565	100.0
198.04924	2.8
239.05673	3.0
244.28152	0.9
254.04300	1.9
269.06680	85.1
270.06937	4.0
375.82990	1.0
524.23163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14567	0.9
52.57169	0.9
59.01382	39.0
61.28939	0.9
64.69770	1.0
69.67597	3.4
71.01388	22.0
85.02958	6.5
87.04467	1.0
89.02451	21.7
89.89059	1.0
95.01395	2.9
96.96926	1.2
98.22023	1.9
99.00932	1.3
100.02776	0.9
101.02447	9.2
109.02965	1.0
113.02450	8.4
119.03505	7.5
121.02893	1.8
123.00886	10.5
137.02461	1.9
138.03250	10.4
143.03505	1.3
153.05606	5.0
161.04597	1.9
166.99884	17.8
170.59177	1.1
179.05638	9.2
181.01396	1.6
182.02223	65.6
183.02525	2.5
197.04559	100.0
198.04929	2.9
230.75865	1.0
239.05585	3.9
269.06668	98.1
270.07013	4.2
309.71060	1.1
477.54041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01085	1.4
59.01383	28.1
61.50869	0.7
66.07753	0.7
69.19497	3.7
69.19880	1.2
71.01385	7.7
72.99315	1.7
78.95934	3.2
82.71387	0.6
83.01373	1.0
85.02952	6.5
89.02443	7.1
91.46781	0.6
93.03467	40.6
94.03793	0.7
95.01366	0.7
98.21880	1.5
100.24360	0.6
101.02447	4.3
113.02450	3.1
119.03536	3.0
119.79039	0.7
121.02932	1.1
123.00918	0.7
127.00715	0.7
136.01672	2.2
136.93205	1.0
137.02461	100.0
138.02802	2.3
140.33011	0.9
144.99217	1.5
145.06186	0.7
145.09845	0.7
151.04059	2.4
152.91737	0.8
153.05566	1.0
154.02957	0.7
162.36789	0.6
179.03499	15.8
182.02235	2.1
191.02037	2.2
194.93945	0.8
197.04575	5.3
209.04657	1.0
220.95329	1.4
227.04764	0.7
239.05661	5.5
264.94113	0.8
269.06747	3.8
299.07736	63.4
300.08014	3.5
308.93155	1.1
313.02338	0.7
326.94327	2.0
524.74731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03450	11.7
59.01387	39.7
60.01714	3.4
61.01799	1.3
61.98833	2.1
68.99805	1.5
69.03465	1.3
69.31284	1.6
69.31696	2.2
71.01390	5.5
72.99296	1.7
73.02952	1.5
75.00880	1.3
82.03013	1.3
83.01376	4.3
83.89162	0.7
84.02163	2.0
85.02959	100.0
86.03294	1.3
86.20303	0.7
87.00893	2.6
89.02475	1.5
96.96029	3.1
97.02943	0.9
99.00877	1.4
101.02442	2.1
111.00893	7.7
113.02452	1.6
115.00355	1.9
115.92112	0.9
116.92867	3.1
117.92932	0.8
119.05039	6.6
125.12521	0.7
125.73907	0.6
129.01953	15.9
130.02324	0.8
133.02966	1.9
134.03801	1.3
135.04552	1.5
139.11360	0.9
145.02946	2.6
147.03026	7.2
147.04205	0.8
154.05196	1.1
161.02475	3.7
161.04539	0.9
163.02657	1.3
163.04021	7.3
173.00955	5.4
179.03484	1.7
183.10316	4.9
191.01984	17.3
191.03615	1.2
193.05081	1.3
193.66219	0.8
197.04578	1.3
231.06573	0.8
251.12932	4.3
258.08817	0.9
313.12949	1.5
334.60883	0.8
337.05750	1.5
357.11813	1.9
373.44879	0.8
375.13019	12.0
376.13242	0.9
400.23972	2.0
401.24506	2.0
405.17163	1.5
521.15216	1.1
521.22656	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	521.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90913	0.8
51.67870	0.8
55.01886	2.4
57.03450	13.0
59.01384	20.8
61.98853	1.0
66.25502	0.7
67.10967	0.9
68.99824	6.6
69.03446	0.9
69.04819	4.9
71.01389	13.4
72.99320	1.9
73.02954	4.1
75.00883	1.7
81.03453	1.5
82.03030	1.0
83.01396	3.3
84.02180	1.5
84.08133	0.8
85.02959	100.0
86.03283	1.6
87.00888	3.3
89.02451	5.6
93.03347	0.8
98.22636	1.6
99.00890	18.2
101.02457	6.4
108.02190	0.8
111.00915	5.7
113.02483	3.0
115.00388	1.7
119.03539	2.9
119.05058	3.2
120.99669	1.5
121.02953	3.3
129.01959	11.2
133.03015	1.0
134.03786	1.4
135.04543	1.5
138.08418	0.9
147.03014	7.9
147.04585	1.7
149.06105	1.0
153.05576	2.3
154.05202	1.0
161.02466	2.0
161.04576	1.9
163.02739	1.3
163.04070	3.4
173.00926	3.5
176.04768	1.1
177.05594	1.0
179.05719	1.3
182.02299	1.0
183.10320	5.1
191.01985	26.4
193.05125	0.9
197.04552	8.5
211.12981	1.1
226.06406	0.9
251.12794	3.9
259.09793	5.4
276.80988	0.9
297.14987	1.0
313.12881	1.5
317.10342	3.0
357.11993	2.3
375.12976	20.4
376.13177	1.2
410.43384	0.9
443.01007	1.0
461.14362	1.1
477.21466	5.5
493.20520	1.1
521.21167	4.0
521.28125	1.2
521.31964	0.7
522.23376	3.0
533.51068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83356	0.7
54.95588	0.8
55.01875	2.0
57.03449	12.0
59.01384	5.1
60.82618	0.6
69.03443	1.3
69.10239	2.9
71.01386	3.2
72.99317	0.8
73.02936	1.2
75.00887	1.0
83.01395	3.8
84.02154	1.5
85.02959	100.0
86.03288	0.9
87.00879	2.4
96.96048	1.1
98.22712	1.4
101.02459	1.4
111.00890	9.7
111.08155	0.7
115.00362	0.7
117.03476	0.9
119.05037	8.1
129.01959	18.4
133.02965	1.7
135.04527	1.5
139.11336	1.4
145.01505	0.7
145.02980	4.2
147.03033	7.1
161.02460	1.8
163.04025	11.4
173.00951	5.5
177.05511	1.1
179.03560	0.8
183.10329	5.2
189.70654	0.6
191.01984	9.3
231.06647	1.6
251.12907	4.0
257.11798	0.8
293.06747	1.9
313.12939	2.7
325.55139	0.6
337.05649	1.2
357.11911	2.8
375.13089	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	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02570	1.7
57.03441	4.4
59.01384	41.9
67.01845	1.6
69.39556	3.9
69.39960	5.8
71.01390	41.7
72.99314	3.3
73.02931	7.7
75.00884	27.8
81.03426	2.2
85.02957	33.6
89.02452	14.9
93.03471	3.5
96.96037	2.2
99.00864	2.7
101.02440	12.4
103.98035	1.6
113.02456	7.9
115.00397	15.5
119.03479	3.8
121.02979	12.3
129.01974	3.5
133.02959	4.8
135.04539	7.9
135.08237	4.0
137.02469	3.8
138.03212	2.4
143.03540	1.7
147.03001	3.6
153.05551	11.4
153.09233	5.8
160.05289	2.3
161.02466	9.0
161.04599	5.2
163.11270	4.4
173.04559	11.9
179.03513	4.0
179.05603	3.5
181.12343	29.9
182.02194	3.7
191.02013	2.2
197.04555	42.3
197.08220	7.2
203.48470	1.7
207.10182	1.7
225.11343	89.8
226.11653	2.3
243.12340	2.0
323.07721	5.6
329.13940	6.1
347.17184	9.6
356.61499	1.8
359.05939	2.5
359.09860	11.4
359.13586	2.4
371.05295	1.7
405.17694	100.0
406.17950	6.0
477.19742	31.7
478.20062	2.9
521.18579	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	521.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48207	3.4
51.28342	2.9
55.01876	3.3
57.03479	3.6
59.01390	24.7
63.93266	2.9
69.91061	9.7
71.01386	19.2
73.02956	7.9
75.00874	5.7
83.01401	4.5
85.02946	33.0
89.02452	14.4
98.22032	6.4
101.02453	14.5
109.06635	3.7
113.02457	9.2
113.59416	3.8
115.00469	4.3
119.03522	3.4
121.02967	7.0
123.04483	4.1
133.02982	16.2
135.04546	5.6
135.08168	29.0
153.09225	75.6
161.02448	11.2
161.04564	4.0
177.01927	5.3
179.05655	6.9
181.01469	3.4
182.02170	3.2
190.26280	2.9
191.01952	6.4
197.04543	19.1
197.08218	100.0
329.11441	16.4
359.13474	56.6
372.83691	4.7
373.10782	8.4
405.12799	4.9
405.17526	5.8
521.18732	13.5
521.25739	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	521.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31327	3.7
56.83329	3.3
57.03462	7.2
59.01384	88.4
61.87826	3.2
69.03467	50.6
71.01389	100.0
73.02958	21.6
77.53107	4.1
81.03488	3.8
83.01402	11.6
85.02962	52.7
87.00885	5.4
89.02454	77.5
95.01376	6.1
97.02940	27.2
99.00896	10.9
101.02454	45.9
113.02456	25.2
119.03488	5.6
123.04581	18.4
125.02473	24.4
131.03510	23.5
135.04559	5.5
135.51790	3.7
139.03918	4.0
143.03549	6.9
149.04584	28.5
149.05884	6.2
159.03041	5.0
161.04582	42.4
167.07162	26.1
179.03551	10.3
179.05672	3.6
182.02284	6.2
182.29875	3.8
191.02031	8.2
191.05650	12.3
197.04526	7.3
223.30165	3.8
233.06757	5.7
233.52650	3.6
269.06784	7.0
293.08807	69.3
329.12512	16.2
405.98035	4.1
461.16757	66.9
503.08548	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66033	1.4
55.01867	1.5
55.79902	1.7
57.03442	3.1
58.00587	1.7
59.01385	100.0
69.13793	8.9
71.01387	52.6
72.99295	2.4
73.02946	2.2
79.56786	1.6
81.74702	1.4
83.01398	2.8
85.02949	11.6
87.00873	4.0
88.98824	2.3
89.02451	69.5
93.74839	1.6
95.01403	2.1
101.02448	31.5
109.02987	3.5
113.02456	22.4
119.03506	28.6
121.02980	6.4
123.04524	1.6
128.03558	1.9
129.01903	1.9
131.03532	3.0
133.02998	16.2
134.03786	3.5
135.04544	22.4
137.02516	1.5
143.03522	5.7
143.04582	1.6
147.02963	2.7
149.04573	3.4
149.06123	2.5
153.05623	3.1
158.03741	1.5
160.05276	4.7
161.02461	49.4
161.04594	5.1
162.02785	2.0
162.78093	1.4
164.09149	1.8
172.05339	4.0
173.06084	1.7
175.04088	2.9
177.05652	1.8
179.03526	28.8
179.05583	10.8
189.05623	6.8
190.06378	4.6
191.01840	1.6
197.04529	12.4
201.11292	2.5
203.03555	7.1
205.08730	5.3
239.05634	2.1
281.08078	2.5
296.10568	5.6
311.12900	3.4
323.07614	2.8
331.92059	1.6
341.13910	20.5
342.14267	2.6
389.18494	1.6
521.12836	1.9
521.22229	2.6
532.07385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73338	1.4
57.03430	1.9
59.01385	73.0
59.31637	1.4
67.83528	1.7
69.68199	7.3
71.01370	4.9
73.02945	2.1
82.55396	1.7
82.95410	3.8
85.02940	10.6
88.62647	1.4
89.02443	2.2
96.96035	1.7
97.06599	11.8
99.00883	9.7
107.90167	1.6
109.02947	2.3
113.02463	4.3
123.04462	1.9
123.08171	2.2
125.06070	3.2
129.01926	3.6
131.03484	7.7
133.02997	2.0
135.04533	6.2
136.05330	8.4
150.06879	2.3
160.01613	2.8
161.02397	4.2
161.04486	2.1
165.09216	22.3
173.04568	3.6
175.04012	4.3
191.02036	3.4
207.13811	4.3
215.10678	4.6
230.13127	3.4
233.11823	13.8
234.12492	2.2
245.15430	10.8
246.12585	11.4
247.11896	6.4
248.14195	34.1
249.14893	10.1
261.15033	3.0
262.11984	1.9
263.16544	51.4
264.16901	2.0
287.16443	2.4
297.14941	2.5
299.16586	4.7
315.16046	7.4
317.17676	1.9
325.14597	1.7
327.14468	7.3
345.82532	2.1
375.18146	18.3
380.14481	2.2
395.17102	6.5
396.18115	2.3
401.14694	4.3
407.20697	50.4
408.21002	3.5
410.19617	2.6
425.21857	100.0
426.22031	4.1
428.12369	2.1
467.23022	16.6
468.23138	1.8
506.34415	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.44759	0.2
57.03451	0.5
58.00614	0.3
59.01385	30.0
60.01708	0.3
61.98827	1.0
67.87497	0.2
69.03440	0.5
71.01390	11.3
72.99323	0.5
73.02950	14.1
76.06746	0.2
83.01402	3.6
83.13197	0.2
85.02959	4.2
87.00907	0.7
89.02467	4.2
95.01406	0.8
96.96017	0.4
96.96994	0.3
97.02956	1.1
99.00889	0.6
101.02452	17.0
113.02461	8.1
113.03257	0.3
119.03524	3.3
125.02484	1.5
129.01979	0.3
131.03497	1.0
143.03528	3.2
149.04555	0.7
149.42218	0.2
155.03497	0.8
155.10794	100.0
156.11090	2.5
161.02557	0.3
161.04581	3.3
169.12349	2.3
179.05519	0.4
191.01965	0.6
197.11853	4.5
203.05666	3.9
209.11890	0.3
221.06693	1.1
227.06746	0.3
227.12921	0.8
239.12816	0.3
257.14108	0.2
263.07733	0.3
350.55826	0.2
359.17255	0.8
401.18027	0.6
521.25635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2524
Annotation	Cognatine
Peak:m/z	Relative Intensity
56.68738	1.3
57.84937	1.4
59.01371	4.0
66.91069	1.2
71.01363	1.5
78.95909	22.4
88.55541	1.5
95.16901	1.2
96.96978	3.0
152.98538	2.0
152.99606	24.4
164.61163	1.2
171.00655	3.2
171.10257	1.5
179.07094	1.3
195.13881	10.5
196.14751	1.4
220.96985	1.4
223.13405	6.8
235.16881	3.2
245.04247	2.9
256.13168	1.5
275.20221	10.8
293.21268	100.0
294.21503	5.4
299.20322	2.1
317.21231	73.8
318.21399	2.9
408.01346	1.2
521.25397	66.4
522.25946	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	522.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.0
61.98835	100.0
69.21530	2.8
69.21938	1.3
73.30515	0.8
74.63786	0.6
85.02956	0.9
97.51090	0.6
98.96321	0.6
100.81689	0.7
174.25630	0.6
177.93201	0.7
196.02567	0.8
203.52878	0.7
286.03024	0.7
292.17569	0.8
401.46689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.8
61.98848	3.2
67.48763	1.4
68.40144	1.6
72.04559	11.0
81.06036	1.4
82.95438	3.0
84.95145	2.9
85.02462	1.3
85.02969	5.0
88.98802	3.3
89.02438	2.8
103.46057	1.5
105.46226	1.4
119.33481	1.6
121.02954	2.9
133.02977	1.9
135.04544	26.2
140.10840	3.7
142.12386	55.7
153.05594	3.1
154.05917	2.0
161.02440	4.2
168.10303	28.3
170.11874	29.7
178.21864	1.3
179.03534	29.9
181.01465	1.6
197.04590	7.0
198.04881	4.4
214.10852	100.0
215.11223	2.0
227.10582	1.5
236.72893	1.6
239.05611	5.3
240.05963	4.6
269.06784	2.2
270.07114	4.2
307.08228	17.1
402.11270	4.6
473.98227	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	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.2
58.78075	0.2
59.01383	4.4
61.98836	100.0
71.01397	0.5
85.02956	2.2
89.02469	0.9
101.02459	0.5
111.00912	0.4
113.02490	0.4
119.03544	0.3
123.04540	0.2
129.01976	0.4
151.92099	0.2
167.03508	0.5
179.03450	0.3
179.05666	0.3
191.02173	0.3
233.00800	0.2
235.06102	0.3
259.09772	0.2
279.16113	0.4
291.08942	0.2
373.49966	0.2
431.03912	0.2
459.22870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98835	100.0
65.28543	0.3
71.01398	1.0
71.02316	0.3
71.34505	0.4
73.02979	0.3
76.01128	0.3
85.02966	0.9
89.02475	1.0
97.02898	0.3
98.21854	1.1
129.01917	0.4
135.04495	0.5
138.89961	0.3
156.36923	0.4
161.02574	0.4
176.81960	0.3
179.03513	0.7
179.05731	0.5
233.66966	0.4
245.42627	0.4
279.16064	3.5
377.75549	0.4
459.22470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1461
Annotation	CHEBI:69802
Peak:m/z	Relative Intensity
51.59080	0.5
59.01373	3.1
69.09510	1.2
69.09905	2.4
71.01392	3.1
73.02953	4.0
73.99154	0.5
81.03471	0.6
83.05047	0.6
85.02930	2.7
89.02483	0.7
95.05038	0.5
95.53696	0.5
97.02965	1.3
98.22644	1.0
99.00891	4.4
99.04558	0.7
101.02447	3.1
101.54157	0.5
105.03448	1.0
107.05049	0.9
109.02933	0.8
113.02469	2.0
117.03468	1.0
121.03020	0.8
123.04569	0.6
125.06066	0.6
132.02203	1.5
133.02969	34.3
134.03699	2.0
135.04541	17.0
135.05350	0.3
137.02452	2.8
137.32037	0.5
140.17853	0.5
144.78125	0.5
149.06068	1.4
153.05582	1.1
155.03534	0.5
155.10844	1.4
161.02460	100.0
162.02798	2.9
163.04025	2.3
168.13673	0.6
177.05585	3.0
178.02679	0.6
179.03514	14.1
181.05132	1.4
183.18759	0.6
199.09802	2.1
221.04572	3.7
251.05655	2.2
281.06689	5.0
311.83173	0.6
323.07715	6.4
341.08801	1.0
407.18668	0.6
523.14600	80.0
524.14789	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03454	1.6
57.90709	0.5
58.00603	1.5
58.06328	0.5
59.01385	100.0
60.01714	0.7
60.04076	0.5
69.03485	0.8
71.01389	53.4
72.01728	0.6
72.99316	1.5
73.02955	2.0
81.03489	0.6
83.01395	1.5
85.02959	9.3
87.00869	2.5
89.02454	64.6
93.03458	3.2
95.01381	4.4
97.02971	1.3
99.00875	1.5
101.02453	23.6
101.03116	1.2
102.02795	0.6
107.05062	1.5
109.02956	1.0
113.02460	20.4
115.04039	0.6
119.03516	21.6
119.05060	0.8
121.03004	0.6
125.02465	0.7
131.03526	2.8
135.04552	3.4
137.02480	2.0
138.03322	0.7
143.03539	4.2
149.04611	2.2
149.06093	1.1
151.04022	3.9
153.05598	0.7
155.03676	0.5
159.04492	0.5
161.04559	4.0
163.04022	2.6
170.13374	0.5
177.05635	0.9
179.05620	18.8
179.07158	1.0
181.05084	11.6
205.05180	0.9
213.63713	0.6
223.06172	0.5
343.10461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1772
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
64.45598	0.9
69.12077	6.7
71.01370	1.6
76.47278	0.9
78.95908	63.3
83.69405	1.0
84.02534	0.9
99.73891	1.0
99.92590	14.7
100.93361	10.4
106.13888	0.9
110.98536	12.5
115.92085	9.6
116.92863	10.9
117.83021	0.9
117.93671	1.1
148.91084	1.1
150.98093	1.3
155.95303	1.3
163.89731	6.2
164.90520	15.9
164.99593	2.9
167.01134	3.2
172.95572	1.1
177.91222	1.0
178.88441	17.8
179.87747	1.8
179.89230	20.4
180.90015	12.3
181.90773	5.7
193.90787	30.5
194.91606	23.1
195.92352	1.2
196.87640	1.6
196.89493	32.6
206.91484	1.1
210.91084	4.5
236.92670	1.6
246.56593	1.0
248.92572	4.1
249.93489	4.6
250.94211	2.5
255.23305	5.2
266.93680	4.0
267.94482	1.7
355.15741	2.5
411.18414	4.3
455.35416	1.5
475.15512	3.1
505.16629	2.8
523.17700	100.0
524.17816	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	523.1772
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.44276	0.6
52.34508	0.6
54.19200	0.6
67.33376	0.6
71.01379	1.4
78.95905	47.4
84.93856	1.1
98.21823	1.5
99.92592	11.0
100.92750	1.1
100.93373	10.5
101.62727	0.6
110.98533	9.2
115.92081	11.4
116.92101	0.9
116.92867	10.7
144.47206	0.8
148.91064	0.7
150.98030	1.9
154.94409	1.0
155.95230	1.7
162.89034	0.8
163.89709	2.9
164.90515	14.2
164.99551	2.2
165.67122	0.8
177.91281	0.7
178.88448	11.4
178.91986	0.8
179.89223	21.0
180.90060	10.8
181.90810	3.7
193.90776	36.5
194.91591	24.6
195.92392	0.8
196.87639	1.3
196.89502	24.7
197.89557	0.8
206.91570	1.1
207.20673	0.6
210.90950	1.2
219.92383	1.2
236.92647	2.7
248.92590	3.8
249.93436	4.9
250.94109	1.5
252.92258	0.8
255.23335	4.8
265.92661	0.7
266.93741	3.9
355.15692	1.9
371.15323	1.2
411.18472	6.5
412.18814	1.3
470.37244	1.0
475.15625	2.4
505.16415	2.0
523.17706	100.0
524.18140	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	523.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85843	0.4
55.01881	2.6
56.27544	0.5
57.03174	0.9
57.03451	13.5
59.01380	4.1
62.73157	0.5
68.99799	0.9
71.01382	2.9
72.99320	0.6
73.02934	0.7
75.00864	1.2
83.01392	4.7
83.05021	0.5
84.02175	2.0
84.66235	0.5
85.02956	100.0
86.03288	0.9
87.00872	1.5
93.03453	0.4
96.48860	0.5
98.22659	0.8
101.02470	0.9
106.45326	0.5
108.04645	0.4
111.00883	8.5
113.02445	0.6
115.00352	0.9
117.03441	0.5
119.05039	11.4
129.01953	17.4
134.06200	0.5
145.02989	4.4
147.03012	5.2
161.02435	0.7
163.04019	11.8
163.25424	0.4
171.14067	0.6
173.00911	6.3
173.61462	0.4
177.12813	0.5
185.11859	10.1
191.02019	6.6
199.13364	0.6
207.13885	0.7
225.15009	0.6
250.85034	0.5
253.14426	7.8
293.06805	1.3
297.13736	0.6
315.14627	2.9
337.05728	2.1
344.25031	0.6
359.13690	2.5
377.14545	5.1
448.18713	0.7
523.17700	0.6
523.34741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14073	0.4
54.31195	0.4
55.01879	2.4
57.03456	12.4
59.01384	5.5
65.47842	0.4
68.99812	0.6
69.34888	2.1
71.01386	3.4
72.99318	1.2
73.02943	1.0
75.00890	1.2
78.72028	0.5
83.01393	2.8
84.02171	1.9
85.02957	100.0
86.03281	1.0
87.00885	1.3
89.02438	1.0
89.78639	0.4
99.00886	1.1
101.02450	1.6
103.00393	0.8
111.00888	6.0
115.00375	0.9
117.03495	0.7
119.05030	3.6
120.99628	0.5
126.39723	0.5
129.01956	12.0
133.02922	0.4
134.03743	0.8
135.04482	0.5
137.09619	0.5
145.01480	0.7
145.02943	1.8
147.03003	8.5
161.02451	1.2
163.04024	4.6
172.17465	0.4
173.00935	4.4
175.04086	0.6
185.11839	6.0
186.12297	0.4
191.01994	23.4
199.13580	0.5
213.11169	0.4
217.76204	0.4
225.14984	0.7
253.14476	5.0
269.48978	0.5
297.13214	0.8
315.14539	1.6
337.05823	0.6
359.09506	0.4
359.13293	2.9
377.14536	19.0
378.15036	0.9
409.19049	0.5
437.13666	0.4
523.11652	0.6
523.23816	0.9
523.34576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
56.15563	0.7
57.03450	10.4
59.01383	9.1
61.98808	1.1
67.20965	0.7
69.48849	3.1
70.97051	0.7
71.01383	5.3
72.99332	1.1
73.02959	1.5
74.59016	0.7
75.00919	1.0
83.01397	3.8
84.02184	1.8
85.02956	100.0
87.00885	1.7
89.02450	1.2
101.02435	2.3
109.02972	1.2
111.00892	9.3
113.02435	1.2
119.05045	9.8
121.15073	0.7
125.76487	0.8
129.01958	18.7
134.03745	2.4
135.04539	2.5
137.09686	0.9
145.02948	3.3
147.03021	6.4
149.06084	1.6
152.95287	0.7
160.01678	1.5
161.02435	2.8
163.04036	12.3
165.04012	1.1
173.00903	5.4
175.04019	1.8
178.02699	0.8
179.03580	1.0
185.11841	8.0
191.02002	6.8
192.92656	0.9
193.05098	3.1
207.13817	1.0
211.13416	0.9
212.13414	1.1
231.06676	1.4
245.19170	1.4
253.14445	7.2
278.42273	0.9
293.06854	1.6
297.13556	1.1
307.10831	1.4
315.14413	3.2
337.05612	2.1
351.09818	1.6
359.13513	2.7
371.34830	0.8
377.14545	5.0
523.25153	3.1
523.33582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1846
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
54.60774	0.3
55.01881	0.5
59.01384	100.0
60.01721	0.7
61.98825	2.4
71.01381	1.9
71.42258	0.4
73.02956	0.7
75.74749	0.4
78.91904	1.0
84.90064	0.4
85.02955	2.7
87.00885	0.4
88.91238	0.4
89.02421	0.6
101.02464	0.9
102.45697	0.4
104.90980	0.3
109.03004	0.6
113.02456	0.5
121.03003	0.7
132.02205	0.6
133.02988	4.0
134.03699	0.5
135.04535	5.1
136.04903	1.6
137.02486	0.4
137.05128	0.5
147.04546	2.4
149.06082	0.8
153.05688	0.6
154.05980	0.5
160.01703	0.5
161.02466	10.6
162.02760	3.4
163.02960	1.8
175.04073	0.8
176.04805	0.9
177.05565	0.8
179.03481	4.8
180.03877	2.6
181.01497	0.5
181.04114	1.5
189.09186	0.4
194.75552	0.3
197.04681	1.1
198.04953	0.6
199.05252	0.4
204.04117	0.3
226.06351	0.5
231.14133	0.5
240.58295	0.4
241.08884	1.1
259.09760	9.8
391.18939	0.5
415.41232	0.4
461.14468	0.9
523.18896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18206	2.9
52.17917	2.7
59.01382	15.9
71.01398	11.8
73.02957	5.9
85.02962	7.2
87.00880	3.1
88.98816	4.1
89.02448	7.4
91.75703	2.9
99.00931	3.5
101.02460	7.4
112.22282	3.2
113.02488	8.8
119.49795	3.0
137.09714	19.5
155.10797	91.3
159.02956	4.3
161.02441	4.7
169.60112	2.9
184.93466	3.1
199.09799	100.0
200.10187	3.6
223.09903	3.2
253.04099	3.1
301.13031	4.0
347.13043	3.9
361.15170	18.4
370.13678	4.4
429.47119	3.8
523.20593	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	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41439	1.1
50.89589	0.9
54.96104	1.1
55.01877	1.5
57.03456	6.0
59.01383	62.8
69.03462	4.7
71.01388	75.7
71.04972	1.0
73.02956	12.1
75.00867	1.2
78.64240	0.9
83.01387	4.5
85.02961	19.2
87.00876	6.7
88.76105	1.0
89.02454	34.6
95.01404	4.4
95.05056	2.9
96.95984	1.4
97.02953	3.9
99.00906	3.6
101.02454	29.3
101.06087	34.8
108.02183	1.1
109.06612	1.9
111.04570	5.3
113.02457	19.1
113.06084	5.3
119.03506	14.9
123.00870	1.2
123.04535	14.9
124.05329	1.9
125.02508	1.2
125.06084	2.1
127.07679	4.6
129.01955	1.6
131.03540	1.7
133.03030	1.6
135.08189	5.0
137.09818	1.2
141.05605	33.5
143.03511	3.7
145.01440	2.0
145.02969	1.3
152.76103	1.1
153.09222	9.1
155.10796	16.7
159.02995	1.6
159.06636	13.3
161.02498	2.2
161.04575	19.9
163.04091	1.1
171.10294	2.9
179.05617	9.4
181.08739	12.1
185.05824	1.0
195.86111	1.0
197.04570	1.8
199.02579	1.7
199.09775	82.3
199.73390	1.1
200.10077	2.3
213.07727	1.4
242.03447	1.2
267.11426	1.1
303.10861	28.4
309.65057	1.1
311.10117	1.3
315.14493	12.2
316.14792	1.4
321.11877	1.6
343.13968	9.3
361.15079	100.0
362.15372	3.9
407.10938	1.8
407.18915	1.4
523.20374	60.5
524.20660	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	523.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
56.78366	3.9
59.01382	94.0
61.98832	8.5
62.40762	4.2
63.95390	4.2
67.37241	4.2
69.32648	3.4
69.52216	12.2
69.52624	7.7
71.01376	25.6
71.40916	4.0
75.00901	5.0
85.02956	5.4
87.00899	6.8
93.03485	4.9
97.06573	7.3
99.00889	13.1
99.92601	7.1
100.93381	13.3
102.77740	3.6
111.18794	4.1
112.98849	22.6
115.00381	96.3
115.91389	4.7
115.92078	24.9
116.92928	6.7
117.01904	5.6
133.02986	36.9
134.03745	4.6
135.04547	14.5
142.99869	67.1
145.01456	19.0
150.06891	4.8
161.01089	8.5
161.02448	100.0
175.02509	10.9
179.03500	6.2
231.10223	49.5
232.10634	7.7
294.89719	4.0
299.16528	4.3
310.62244	4.1
329.17560	24.5
342.05780	4.4
468.74002	4.1
523.12854	19.3
523.21844	74.6
524.21820	7.7
525.84406	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	524.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87324	0.3
52.83975	0.3
59.01377	0.6
61.98833	100.0
69.42671	0.6
69.43054	0.8
71.01393	0.8
80.76367	0.3
85.02970	0.8
89.02447	0.6
93.41204	0.2
113.02480	1.4
135.04591	1.1
161.00842	0.3
382.12479	0.3
461.16708	7.5
462.17438	0.4
513.03857	0.3
552.81055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37864	0.4
51.22732	0.4
58.08893	0.4
59.01394	1.2
60.01718	0.4
61.98837	100.0
69.13337	2.4
71.01392	2.1
85.02968	1.8
89.02467	1.0
101.02423	0.7
113.02434	0.7
119.03537	0.5
133.02956	0.5
135.04555	0.8
161.02466	0.8
166.08923	0.4
177.22789	0.4
179.03517	0.7
199.09824	0.5
220.54588	0.5
238.26102	0.5
330.49899	0.4
359.21201	0.4
464.17480	0.4
524.21185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.31814	0.9
57.03442	2.8
59.01386	3.3
59.97400	0.6
65.00311	1.1
69.03459	1.4
69.43540	3.2
71.01385	5.3
81.03474	5.7
83.01405	1.9
83.05025	1.2
84.02152	0.8
85.02959	15.4
87.00897	2.0
89.02444	0.9
93.03483	1.6
95.01406	3.1
95.05051	1.4
97.02950	5.7
98.22632	1.5
99.04542	3.6
101.02467	2.0
107.11665	0.6
109.02967	2.6
109.06641	0.9
111.00889	2.4
111.04527	5.3
113.02449	2.1
121.02963	12.7
121.06598	0.8
122.00128	1.0
123.00900	10.6
123.04545	1.0
124.01722	0.9
125.02460	2.1
126.66067	0.6
127.00394	1.9
136.98781	1.4
137.02458	15.2
137.06065	3.2
138.03253	10.7
139.00348	3.4
139.04041	4.5
141.01985	1.3
153.01991	1.6
153.05576	13.1
155.03519	3.3
161.76300	0.8
164.16852	0.7
165.05536	3.5
166.99872	4.5
168.00627	1.3
181.01413	10.9
181.04973	0.7
182.02245	11.5
183.03001	6.5
183.06573	1.4
196.03778	2.5
197.04558	39.9
198.04874	1.0
210.01573	0.7
211.06047	0.8
225.04024	3.5
239.05666	4.6
240.03178	0.7
245.90134	0.7
269.06647	0.9
281.06714	0.9
285.06100	1.7
299.07785	1.4
311.03922	0.9
326.06421	4.0
341.08795	24.4
495.11343	1.8
510.13953	3.0
525.16174	100.0
526.16638	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	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12787	0.4
55.01862	1.1
55.41011	0.4
59.01390	6.5
61.98817	0.5
66.91994	0.5
67.01876	1.2
68.99823	5.0
69.03452	2.5
69.06744	3.8
71.01385	8.6
73.02942	1.8
78.01118	0.7
79.01865	0.6
81.03461	1.6
83.01413	2.5
84.24291	0.5
85.02960	44.7
87.00884	1.2
89.00323	0.9
89.02445	1.6
93.03467	2.4
95.01398	4.1
95.05039	4.9
97.02962	11.5
99.00894	0.9
101.02465	3.9
106.00597	1.2
109.02948	2.4
109.06625	0.5
111.00876	2.4
111.04532	2.3
113.02465	3.7
119.03543	0.5
119.05039	1.3
121.02974	23.2
121.06615	2.1
122.00120	1.5
122.03772	3.5
123.00887	9.7
123.04547	2.8
123.05249	0.5
124.01662	1.7
125.02460	1.9
125.99564	0.8
127.00366	1.9
133.02971	1.1
135.04517	1.0
136.98808	1.3
137.02457	13.6
137.06085	9.3
138.03247	9.7
139.00420	2.7
139.04031	10.7
141.01973	0.9
147.04533	0.8
150.03276	0.9
153.01953	1.7
153.05595	17.7
154.02660	0.7
155.03531	2.6
161.02475	2.5
161.04504	1.2
163.04021	0.7
165.05597	11.1
166.99890	4.3
168.00659	1.8
179.03473	1.2
180.04204	0.5
181.01472	7.9
182.02225	10.5
183.03003	6.7
183.06602	2.0
196.03792	2.7
197.04565	60.1
198.04887	1.2
211.06133	2.5
224.03258	1.4
225.04060	1.8
239.05624	11.3
269.06662	2.8
280.44312	0.5
281.06665	1.1
299.07712	4.1
326.06433	4.2
327.07068	0.6
333.19235	2.8
341.08807	42.4
342.09100	1.5
359.09805	0.6
425.99985	0.5
465.23410	1.4
483.60623	0.7
495.11203	0.8
510.13809	2.1
525.16162	100.0
526.16632	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	525.183
Annotation	Stachysoside A
Peak:m/z	Relative Intensity
55.01881	1.9
57.03444	4.2
58.05901	1.3
59.01384	100.0
69.03445	5.5
69.10603	3.9
69.11028	7.1
71.01389	82.2
72.99297	4.2
73.02956	8.7
81.03457	3.2
83.01395	4.0
83.05038	2.4
85.02960	26.9
85.56686	1.3
87.00887	6.1
89.02454	86.1
93.03436	2.3
93.38779	1.4
95.01400	6.1
95.05030	6.1
97.02959	32.7
99.00281	2.6
99.00893	32.5
99.04494	1.5
101.02454	54.1
111.04529	3.3
113.02464	49.0
119.03528	21.2
121.03020	8.4
122.03748	2.0
123.04519	4.0
125.02464	25.1
131.03500	5.3
137.06090	9.5
139.04033	35.3
143.03508	10.5
149.04536	3.4
157.05070	27.6
159.93474	1.4
161.04587	21.3
161.05930	2.7
165.05583	39.1
167.43539	1.5
179.05627	98.7
180.05986	2.1
181.05104	2.7
183.06628	50.9
201.07715	48.0
204.86237	1.5
207.06604	2.8
221.06677	64.3
221.83298	1.8
281.08856	3.4
323.09830	3.5
346.83499	1.9
408.52060	1.9
408.57529	1.5
470.87836	1.8
525.18280	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	525.1829
Annotation	Stachysoside A
Peak:m/z	Relative Intensity
57.03444	2.3
58.00583	1.5
59.01385	100.0
69.03445	3.7
71.01386	64.7
72.99329	2.7
73.02950	3.5
76.04552	1.2
80.02685	3.4
81.03455	3.3
83.01372	2.0
85.02943	11.4
87.00870	2.6
89.02450	71.9
95.01418	8.6
95.05028	21.8
97.02958	19.6
99.00892	6.8
101.02448	31.0
111.52357	1.3
113.02462	30.9
119.03519	21.2
119.05009	2.5
121.02972	10.3
123.04548	2.9
124.90260	1.4
125.02477	1.7
131.03508	3.6
135.04538	2.6
137.06053	3.7
139.04019	46.1
143.03494	6.9
147.04539	11.3
149.04567	2.4
157.05133	1.6
157.99820	1.5
161.04578	10.9
161.05812	2.2
164.07178	4.5
165.04509	1.5
165.05600	13.9
179.05615	31.5
181.05026	2.6
183.06612	4.7
201.07550	1.7
221.06557	2.1
301.09018	1.8
319.10373	8.4
345.11853	20.6
363.12976	5.2
383.08362	6.9
443.10535	1.8
481.15390	2.2
525.10089	2.8
525.18182	27.7
529.62457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50602	0.3
59.01382	1.2
61.98833	100.0
70.52601	0.6
70.52934	0.5
74.08986	0.3
78.76839	0.4
81.76807	0.3
85.02981	1.7
87.00909	0.7
98.22512	0.5
99.00911	0.5
111.00902	0.4
111.14851	0.4
116.56454	0.3
124.04042	6.4
125.02443	0.4
135.04616	0.4
187.83957	0.3
195.06697	0.4
197.11949	0.8
209.11890	0.6
210.07722	5.2
288.92950	0.3
307.19275	0.6
325.20190	0.8
327.21771	4.3
385.81418	0.4
444.20532	0.5
469.24716	0.4
529.70612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89885	15.6
56.13324	13.9
57.02418	15.9
64.83727	18.6
69.08801	100.0
69.09220	29.6
88.97808	17.7
93.93303	18.8
182.93045	19.3
224.56618	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23155	2.9
58.06878	3.4
59.01383	9.4
59.37897	3.1
61.98820	11.0
68.58215	2.8
69.48911	15.2
71.01396	4.7
71.89636	3.6
72.99328	8.0
85.02966	10.3
124.29610	3.3
151.00417	8.6
157.17094	3.9
159.53815	3.3
161.02435	6.9
191.02032	4.4
201.52017	3.2
229.72845	2.9
243.03020	5.3
255.03079	18.1
271.02466	44.0
300.02802	74.0
301.03464	41.7
302.99423	3.5
452.20093	3.7
463.08868	100.0
464.08908	4.4
517.89337	3.3
531.12054	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	526.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30357	0.4
59.01373	1.1
69.10562	2.5
72.00916	10.0
91.05537	1.0
98.21872	0.5
99.00809	0.6
101.02451	0.6
103.05541	1.3
112.07049	0.4
128.40965	0.3
147.04536	31.7
148.04890	0.9
163.19872	0.3
164.07175	100.0
165.07570	2.8
181.05058	0.6
201.08675	0.3
346.02722	0.5
447.89557	0.4
466.07748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25301	0.8
59.01379	9.3
69.17617	3.7
71.01398	4.5
72.00914	2.9
85.02958	3.4
89.02449	3.9
99.00896	1.4
101.02470	2.2
108.02180	22.9
113.02421	1.2
114.11628	0.8
119.03535	1.4
121.02965	1.7
123.04533	11.4
147.04552	7.2
148.04886	2.5
152.01164	30.3
164.07167	15.9
165.01942	1.4
165.07513	8.2
166.02713	1.5
167.03503	100.0
168.03842	2.5
181.05212	1.0
205.28450	1.1
209.04633	4.7
319.27655	1.0
329.08795	51.9
330.09232	2.8
527.11566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03189	2.0
55.93439	2.0
57.03451	11.0
59.01387	41.4
60.73945	2.5
61.98830	5.3
65.08568	2.2
69.51917	6.0
69.52319	4.2
71.01388	24.9
72.80194	1.9
73.02970	11.2
75.00860	2.5
78.95915	7.6
79.95745	2.6
83.01398	7.1
85.02957	98.0
86.01536	2.0
86.02509	2.5
87.00886	4.5
89.02461	7.6
92.43435	2.0
96.96021	100.0
96.97012	8.3
99.00890	3.6
101.02445	16.6
108.02168	3.3
111.00889	11.0
113.02454	11.4
116.92847	2.9
118.98092	4.6
123.08200	6.0
128.03560	7.8
129.01958	24.4
135.04549	4.4
135.08208	2.6
143.03496	5.4
147.03006	8.8
161.02461	4.9
161.04584	13.2
161.06116	29.1
167.03500	8.7
173.00923	7.8
173.09343	5.0
179.03497	3.8
185.08261	9.3
191.02042	10.1
196.02492	2.4
235.06085	2.8
249.05469	2.4
255.68213	2.3
283.34415	2.1
290.31403	2.2
315.11026	3.7
341.05191	4.4
359.09824	4.7
377.10880	12.7
467.12164	9.9
483.30441	3.7
485.16791	14.8
501.80542	2.4
527.15955	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	527.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03453	15.3
59.01386	11.3
69.03460	0.8
69.56181	3.3
71.01398	5.4
72.40743	0.8
72.99326	1.7
73.02938	2.5
75.00885	1.2
77.77561	0.7
78.69028	0.7
82.95417	0.7
83.01392	3.0
84.02158	1.5
85.02961	100.0
86.03258	0.8
87.00902	1.3
89.02464	1.8
91.01911	0.9
96.96046	1.1
101.02443	3.7
108.02208	1.5
109.02954	0.9
111.00901	12.3
113.02471	4.2
115.00354	0.7
118.98125	0.7
119.03512	1.0
121.06654	0.9
122.03828	0.9
123.04540	6.0
123.08170	8.2
123.19559	0.8
124.03970	0.8
125.58014	0.6
129.01958	46.6
133.02966	0.9
135.04688	0.7
140.01765	2.1
141.09244	3.5
143.03526	1.0
145.01439	0.9
146.05763	0.7
147.03024	6.3
152.01178	2.2
154.99892	1.0
155.58536	0.7
161.02486	1.1
161.04561	1.4
167.03522	14.6
167.07184	2.5
173.00937	13.9
174.01268	0.7
177.05545	1.0
185.08212	22.9
186.08714	0.6
191.01999	10.8
191.03598	1.0
192.04370	1.1
193.08769	0.9
209.03140	0.8
225.64037	0.7
227.10927	0.8
235.06178	3.0
246.00853	1.8
247.01071	0.9
264.01749	0.9
285.03998	0.8
297.06113	4.7
315.10858	3.1
341.05255	3.9
359.09821	6.4
365.10675	1.2
377.10913	12.9
381.72644	0.8
453.17899	1.1
467.20810	1.2
527.14117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.2
61.98822	1.0
71.01385	6.1
71.74217	0.6
72.97536	1.9
73.98331	4.3
75.00876	1.1
85.02934	3.1
89.02435	4.5
101.02455	2.7
101.03134	0.5
103.00363	1.0
103.01528	1.3
113.02470	2.1
119.03511	2.1
124.04137	0.8
124.92229	0.7
128.03531	1.0
129.03813	11.5
133.02907	1.0
135.04512	2.0
147.08255	0.9
151.07658	0.9
161.02515	1.0
173.06100	0.8
177.05553	1.1
179.03513	1.0
197.06107	0.9
211.07617	4.7
229.03204	1.2
230.04041	4.1
241.03398	1.0
251.10796	6.3
252.11542	1.0
257.10110	2.9
267.08533	5.0
279.12387	1.5
285.09570	100.0
286.09894	4.0
303.10632	30.5
304.10898	1.4
463.16211	0.7
527.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.43085	0.9
58.00581	1.1
58.99596	3.3
59.01384	99.4
71.01386	42.2
72.99313	22.9
73.01200	1.6
73.02949	3.7
74.96641	1.1
74.99091	4.8
79.05553	5.6
83.01393	1.8
83.05030	3.1
85.02962	9.9
87.00880	14.9
87.02737	2.4
88.98837	1.3
89.02450	37.8
95.01387	2.8
95.46475	1.1
96.96017	6.1
97.06603	1.2
98.95612	4.3
99.92587	5.7
100.93365	11.5
101.02457	27.7
102.98607	9.5
105.07121	4.9
107.05042	29.7
113.02456	17.6
113.04324	7.8
115.92089	19.8
116.92877	3.1
117.03515	2.7
118.98110	2.7
119.03514	19.3
120.99671	10.8
121.06612	4.5
123.04530	3.5
125.92910	2.7
127.04028	4.0
131.03558	1.5
131.05070	1.9
133.06622	15.6
135.04535	2.3
135.08173	4.3
139.02258	2.5
141.03799	18.5
141.92369	1.3
143.03513	3.8
144.04543	2.0
145.02982	11.1
147.04535	3.7
147.08151	1.4
149.04610	1.1
149.06059	5.1
151.04008	2.7
153.05664	1.2
153.09189	1.5
154.05360	3.1
161.02541	1.5
161.04584	4.6
161.06096	10.0
169.06578	2.4
170.07419	1.5
173.09703	1.4
179.05569	5.9
183.08058	1.4
185.02786	9.8
186.06877	14.9
187.96640	1.6
196.02484	1.0
197.06113	1.7
197.09767	4.2
210.10530	4.5
211.11296	1.4
213.09238	2.3
213.12865	2.2
214.06369	6.7
217.05042	1.8
223.11290	9.8
225.09290	12.2
225.12802	18.1
226.10025	3.1
229.08662	1.7
229.12392	2.9
236.08510	1.5
239.10667	1.5
241.12350	32.7
242.12785	2.0
243.10161	2.4
243.13980	3.6
251.10785	19.2
257.10101	3.9
258.00934	1.5
261.11371	5.6
263.12805	2.4
269.11838	54.3
270.12210	2.1
273.09555	1.6
285.09534	2.8
295.09775	3.6
303.10645	9.0
329.08551	1.2
347.09296	3.4
363.07617	4.7
365.09473	2.2
381.00623	2.3
421.18878	2.1
435.11395	4.4
449.18158	4.5
475.74823	1.5
483.17273	1.6
493.16785	1.6
509.14923	2.8
527.15979	100.0
528.16199	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	527.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03438	0.7
59.01381	11.0
69.17783	2.2
71.01385	7.8
72.99344	0.7
73.02945	3.0
74.99103	11.8
83.01394	1.1
85.02967	4.3
87.00879	0.8
89.02454	2.1
95.01381	0.6
99.00902	0.5
101.02452	5.8
107.05016	0.9
113.02455	5.7
118.98097	100.0
119.03494	0.7
119.98459	0.7
120.99603	0.5
125.02470	0.8
128.03539	0.9
128.20204	0.4
131.03473	0.5
133.06516	0.4
135.04546	1.1
135.08167	0.6
141.03807	1.0
143.03568	0.6
149.16620	0.4
159.03014	0.7
159.53517	0.4
161.02472	1.1
161.04596	3.9
161.06097	20.2
162.06383	0.7
172.98933	0.4
179.03455	0.9
179.05716	0.5
193.08711	0.6
221.08334	0.7
225.12596	0.5
227.10646	0.4
241.12428	0.7
247.36897	0.4
256.40497	0.5
269.11880	1.5
306.21063	0.4
361.85284	0.5
485.16721	5.4
527.16681	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	527.1596
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
50.80288	1.7
55.01863	2.0
58.00626	1.6
58.99594	3.4
59.01383	100.0
66.60622	1.5
69.16512	8.9
71.01389	41.8
72.99313	22.5
73.02928	4.5
74.99088	4.0
78.55779	1.7
79.05558	2.7
83.01405	1.9
83.05028	5.0
85.02961	10.8
87.00883	16.1
87.02724	2.9
89.02449	38.5
96.95982	3.1
98.95615	1.9
99.92567	2.9
100.87083	1.7
100.93367	6.1
101.02459	26.9
102.98595	5.5
105.07085	5.0
107.05050	27.9
113.02460	12.1
113.04315	6.1
115.92072	7.9
117.03407	2.8
118.98081	3.4
119.03524	15.6
120.99664	10.8
121.06594	3.6
123.04497	2.1
127.04025	3.6
133.06607	12.5
135.08209	2.1
141.03812	14.0
143.03415	2.0
145.03017	8.1
149.06082	4.0
151.04068	2.6
161.04596	3.1
161.06064	9.1
179.05615	4.0
185.02763	7.7
186.06876	12.0
197.09737	4.3
210.10576	4.7
213.12825	3.0
214.06349	6.8
223.11259	11.3
225.09215	11.6
225.12836	17.6
226.09903	3.5
229.12117	1.7
241.12370	27.9
251.10783	16.9
257.09940	2.8
261.11328	5.1
269.11835	44.1
270.12146	1.8
285.09491	4.5
295.09778	2.5
303.10657	10.7
347.09686	2.6
363.07617	4.1
421.18466	2.3
449.18219	3.8
473.50809	2.1
509.14886	2.4
527.15906	88.6
528.16449	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61424	0.4
57.41008	0.4
59.01382	9.1
61.98533	0.5
61.98815	2.9
69.16309	1.3
69.16696	1.3
71.01380	4.1
73.02962	3.2
78.01097	0.7
81.03495	0.7
85.02979	2.9
88.98804	0.5
89.00339	1.3
89.02444	3.1
93.03490	0.9
95.01398	2.8
96.96039	1.2
98.22604	1.0
101.02451	1.8
106.00609	1.8
109.02970	1.2
111.00867	1.1
113.02439	1.8
119.03490	1.2
119.05029	1.0
121.02963	26.8
122.00089	1.3
122.03259	0.6
123.00896	7.9
127.00396	0.5
133.02922	0.6
135.04501	1.1
136.98802	0.6
137.02446	7.6
138.03242	5.9
139.00381	1.6
141.01970	0.5
146.16574	0.5
149.06076	0.7
153.05594	27.3
154.05865	0.8
155.03523	1.9
161.02452	1.4
163.04016	1.0
166.99855	5.3
181.01443	3.3
182.02234	13.4
183.02879	1.6
191.02080	0.8
197.04562	100.0
198.04887	2.5
223.06181	0.7
251.05791	0.5
320.86957	0.5
329.15955	0.6
347.11285	2.0
365.12384	1.2
497.12909	0.8
527.17743	44.7
528.18024	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	527.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.9
57.03465	1.7
59.01384	36.6
69.62812	2.3
71.01387	25.9
72.99328	1.6
73.02955	9.7
73.03321	0.8
74.99097	11.9
83.01379	4.1
85.02959	12.0
87.00894	2.4
88.66519	0.5
89.02451	6.5
95.01402	2.1
97.02985	1.9
99.00906	2.6
99.53609	0.6
101.02453	21.1
102.98589	0.6
107.05049	1.5
113.02457	15.5
113.04292	1.2
114.12022	0.6
118.98097	100.0
119.03490	3.4
119.98493	0.6
120.99671	1.3
125.02495	1.7
131.03523	0.8
133.06619	1.4
135.08134	0.9
141.03818	2.4
143.03456	2.6
150.06551	0.6
159.03004	2.0
161.04596	11.4
161.06071	83.6
162.06422	1.8
179.05464	0.6
186.06824	1.2
198.23950	0.6
203.05563	1.3
217.40259	0.7
221.06638	1.3
225.09271	0.9
225.12807	1.3
241.12372	2.7
251.10719	0.9
257.11536	0.6
269.11795	5.0
303.10394	1.2
323.11075	1.7
365.12210	1.5
414.30316	0.7
485.16675	18.6
486.16928	0.7
509.14313	0.6
527.16998	16.1
528.16321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92188	2.9
54.79332	3.1
59.01382	38.6
59.98519	3.6
61.98837	24.0
71.01395	15.4
71.05028	5.0
73.02959	15.4
74.99129	2.8
83.05034	20.1
85.02974	11.8
87.00909	4.2
89.02443	6.5
99.04560	4.7
101.02431	7.0
101.06108	4.1
107.05051	11.0
113.02464	4.1
115.04014	3.2
120.99657	8.9
127.04017	12.5
131.33545	3.1
133.06610	22.5
135.08189	20.6
144.04306	51.2
145.05081	38.2
147.08209	6.2
161.04744	4.5
161.06094	31.4
175.07707	6.5
177.09248	3.0
193.08696	6.1
217.12354	58.5
218.12834	2.7
243.10181	5.1
255.95728	2.7
261.11331	68.4
262.11716	6.2
263.12875	3.6
269.11731	3.3
277.09137	2.9
279.12405	100.0
280.12625	3.8
326.92899	2.7
365.10568	11.7
401.71738	2.7
411.19962	3.7
483.18741	54.5
484.19077	7.1
527.16235	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
56.91103	0.5
57.03426	0.6
59.01388	4.7
69.03451	1.6
69.28173	2.8
71.01395	3.7
72.41354	0.6
73.02969	0.8
80.96550	0.6
81.03449	3.4
83.01379	1.8
83.05041	3.4
85.02959	6.1
87.00890	1.2
89.00349	0.9
89.02471	0.8
95.01395	2.0
96.99329	0.6
97.02944	2.8
99.00897	0.7
101.02474	2.8
106.00601	0.9
109.02998	4.1
111.00902	1.2
113.02480	1.7
118.97469	0.5
121.02964	13.6
121.06641	1.9
122.00123	1.2
123.00896	6.1
123.04514	1.7
125.02471	0.9
127.00410	0.7
127.04038	10.2
136.98817	0.9
137.02470	8.4
138.03224	7.3
138.45944	0.5
139.00366	1.4
139.04004	2.0
141.01933	0.6
149.06111	0.9
153.02016	0.8
153.05589	17.2
155.03517	1.7
161.02505	1.1
166.99879	2.7
167.07144	1.5
167.08432	0.5
168.00674	0.8
180.04437	0.6
181.01453	6.7
182.02214	7.3
183.02982	4.4
196.03761	3.5
197.04562	65.3
198.04893	1.8
211.06157	2.0
214.96965	0.6
224.03268	1.7
225.04091	1.8
239.05605	14.3
269.06628	1.8
281.06631	0.8
284.05392	0.8
285.06268	0.7
299.07739	2.6
311.04059	0.7
326.06540	2.7
327.07211	0.8
341.08780	17.8
497.12878	1.3
512.15594	1.4
527.17749	100.0
528.18121	5.8
548.52075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03447	0.8
59.01149	0.5
59.01383	5.6
66.84119	0.7
69.03467	1.3
69.45747	0.7
69.48394	1.9
71.01398	3.6
73.02950	1.0
80.96496	1.6
81.03456	3.1
82.95409	1.2
83.01393	1.9
83.05028	4.6
85.02967	7.6
87.00893	1.0
89.02450	1.8
90.95605	0.7
95.01402	2.2
97.02946	4.9
98.21938	1.2
99.04525	1.3
101.02435	2.5
101.79292	0.7
107.83935	0.6
109.03011	3.5
113.02441	1.7
119.03520	0.9
119.50943	0.7
121.02958	14.8
121.06599	1.4
122.00072	1.1
123.00887	6.1
123.04549	1.5
125.02451	1.2
125.99664	0.8
127.00365	1.6
127.04015	9.2
136.98819	1.3
137.02473	9.6
138.03238	7.3
139.00320	1.9
139.03992	1.6
139.16513	0.6
149.06120	1.5
153.01991	0.8
153.04449	1.3
153.05589	16.3
155.03468	2.0
156.52507	0.7
161.02466	1.1
166.99872	3.1
167.07207	1.6
181.01462	8.7
182.02206	9.1
183.03015	3.4
196.03824	2.6
197.04573	68.5
198.04861	2.1
211.06142	2.6
224.03250	2.0
225.00685	0.8
225.04129	2.0
239.05649	15.3
263.18414	0.7
269.06699	2.1
269.25571	0.6
285.06201	0.9
299.07828	3.3
326.06512	2.6
328.06918	0.8
341.08804	19.3
342.09039	1.4
497.13043	1.3
512.15405	1.7
527.17737	100.0
528.18085	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27479	2.2
59.01089	3.0
59.01380	47.7
59.98520	5.6
61.98829	21.3
66.60216	2.4
71.01380	21.2
71.05006	4.9
73.02959	21.5
78.95954	3.8
83.05019	26.3
85.02938	14.9
87.00885	3.0
89.02464	5.8
96.96004	2.7
99.04505	4.1
101.02445	10.8
101.06075	4.3
107.05045	16.3
113.02460	6.7
115.04011	3.9
118.98074	7.1
119.03487	3.9
120.05774	2.4
120.99666	6.1
121.06573	2.9
122.16302	2.6
127.04020	21.8
127.07621	4.1
133.02956	2.9
133.06596	24.5
135.04459	2.6
135.08165	21.3
141.03761	3.8
143.03474	3.9
144.04286	70.1
145.05087	42.0
147.08176	7.4
161.06088	31.1
175.07639	7.1
177.09203	5.1
179.03539	4.8
187.07565	3.9
189.12860	2.7
191.01892	4.0
193.08727	5.2
197.09679	3.2
199.11351	3.1
217.12323	69.4
218.12671	4.1
225.12904	3.4
243.10226	4.3
258.02753	2.5
261.11340	84.0
262.11652	3.4
269.11752	7.1
279.12390	100.0
280.12711	5.4
365.10648	7.1
411.20114	4.1
428.05054	2.6
429.40588	2.6
441.17657	2.8
483.18784	62.8
484.18845	5.4
527.16284	8.1
527.24603	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	527.2137
Annotation	Kickxioside
Peak:m/z	Relative Intensity
52.37597	0.7
54.63261	0.7
59.01385	6.8
59.58534	0.7
60.77759	0.7
61.98839	1.1
63.32333	0.6
63.96446	0.9
66.18433	0.7
69.27676	3.6
71.01359	2.0
81.03427	0.9
85.02936	1.4
95.01386	2.6
99.00878	1.0
101.02470	1.0
109.03013	1.0
111.00874	2.0
113.02457	2.2
121.02996	2.7
123.00888	12.6
124.01646	1.9
127.00375	2.9
136.98798	1.5
137.02457	3.4
138.03235	3.8
139.00362	5.5
140.01190	1.3
141.01936	2.2
153.05692	1.0
166.99826	5.7
168.00629	2.9
169.01414	1.1
180.68040	0.9
181.01488	3.2
182.02225	1.5
183.03035	2.6
185.11867	1.8
195.02962	1.2
197.04663	2.6
212.33244	0.8
229.14374	0.9
231.71812	0.7
236.06842	7.6
237.07678	5.7
244.83301	0.8
251.09245	11.1
256.18512	0.7
263.12979	2.1
273.11334	3.3
274.12061	4.2
288.13657	1.3
291.12411	6.7
291.19620	0.9
295.12277	0.9
301.98035	0.9
306.14780	4.7
321.17017	2.8
333.09534	1.6
333.13446	24.0
334.13733	1.4
335.11261	2.7
347.14941	3.1
349.12842	1.1
350.13715	18.8
358.97812	1.8
365.16068	100.0
366.16403	5.6
400.06680	0.7
401.08591	1.4
402.96902	2.1
407.17227	6.3
446.95737	2.4
490.98373	1.1
527.21857	1.0
527.95227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71846	19.7
69.17720	100.0
90.86585	18.7
131.06804	21.9
142.13765	20.7
143.35371	20.4
179.16232	25.2
438.00534	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36681	81.1
58.35629	83.1
70.63317	81.0
110.46871	85.2
135.04468	87.6
145.15919	82.9
185.67841	79.2
262.40570	92.1
461.10092	100.0
545.72687	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	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03221	1.1
57.03456	15.9
57.96915	1.0
59.01390	7.7
69.12122	5.8
71.01403	5.3
72.99305	0.9
73.02939	2.5
75.00883	1.9
83.01402	5.4
84.02164	1.5
85.02956	100.0
86.03292	1.8
87.00878	0.9
91.01897	1.5
94.98525	1.0
96.95966	1.2
97.06584	2.0
98.12987	1.0
98.22694	2.2
101.02475	1.3
103.00417	0.9
104.57849	1.2
108.02183	3.0
111.00882	11.2
113.14115	1.0
118.98051	2.2
123.04572	5.4
123.08167	1.9
125.09740	17.8
129.01956	47.2
130.25642	1.1
134.01422	1.0
135.04591	1.3
147.01953	0.9
147.03004	5.3
152.01163	2.3
161.02504	1.8
167.03513	11.7
173.00925	14.0
177.75957	1.1
187.09761	18.7
191.01999	11.7
207.06815	1.0
223.75919	1.0
232.57722	1.0
235.06108	3.1
240.97311	1.0
297.06073	5.7
317.12381	3.8
332.06015	1.0
341.05118	4.2
361.11414	4.4
379.12408	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	529.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55690	0.5
55.56525	0.5
56.88458	0.4
59.01386	4.8
71.01388	1.9
73.02952	1.2
74.99103	1.2
77.80772	0.5
78.01649	0.5
85.02953	1.6
85.06600	0.5
87.00882	4.8
89.02453	1.4
93.03465	1.1
101.02454	1.0
107.05027	6.1
107.40623	0.5
109.02956	1.9
113.02472	1.4
120.99665	100.0
121.06639	0.8
121.99986	0.7
133.02968	1.1
133.06607	3.9
133.68054	0.5
135.04550	3.1
135.08208	1.8
161.02452	2.6
161.04944	0.4
161.06085	3.2
173.01056	0.5
177.05576	0.7
179.03572	3.7
179.05078	0.6
189.05589	0.6
198.49812	0.6
205.12341	0.7
209.09787	1.8
211.07701	0.7
212.08534	0.5
217.12398	3.2
220.09956	0.5
227.10782	16.1
228.11253	0.6
233.11911	2.9
245.11830	7.0
284.43839	0.5
361.28586	0.5
367.12207	4.6
529.17529	34.4
530.17957	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	529.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46430	4.2
72.04554	12.2
80.93790	2.3
82.02993	55.2
98.02490	22.0
100.04050	30.9
119.05042	24.1
157.37561	2.2
188.31010	2.2
188.99751	1.9
192.10316	4.9
218.08214	6.3
220.09825	12.1
264.08798	100.0
265.09167	2.9
301.69312	1.9
546.91235	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16596	4.8
61.98833	43.2
62.83062	4.8
67.01890	5.8
69.03454	51.1
70.88937	7.5
71.10567	4.5
73.53608	3.8
78.95899	16.4
81.03457	19.6
95.01390	8.1
97.02953	80.4
107.05024	40.8
111.58588	4.4
124.01650	34.7
125.02456	100.0
131.05045	5.5
133.06552	4.6
147.04495	31.1
157.06615	5.3
161.06071	26.8
167.01134	12.0
170.07346	8.0
173.09729	10.0
183.08209	15.3
185.09712	33.3
197.06215	4.8
197.09657	7.8
201.09146	16.4
211.07654	37.1
212.04820	5.1
213.09184	48.2
229.08653	41.6
239.07040	7.0
241.08690	11.8
255.23146	6.6
257.08197	46.5
259.09769	12.1
269.08148	12.0
277.21716	64.9
278.21942	13.3
279.22363	12.9
318.09012	9.1
399.12265	13.2
445.23538	18.6
447.24060	7.3
480.30499	5.8
497.16125	10.8
505.34506	4.9
511.17465	11.5
540.67499	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	529.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86580	3.2
51.22769	2.5
61.28362	3.0
61.98845	22.2
69.03458	29.8
69.10197	10.4
69.10616	10.2
71.01395	3.5
73.94243	2.9
78.95922	20.1
81.03454	8.4
93.03439	3.0
97.02952	45.3
105.84007	2.7
107.05029	19.0
109.02952	5.5
110.98549	10.6
124.01657	10.1
125.02447	29.7
131.05013	6.6
147.04530	29.2
157.06641	4.0
161.06093	16.2
167.01154	10.3
170.07382	3.8
171.08177	3.7
173.09711	4.2
183.08154	11.0
185.02133	4.4
185.09682	21.5
195.08191	3.7
197.06087	4.1
201.09193	9.3
211.07661	24.5
212.04703	4.1
213.09232	30.2
214.06392	3.4
223.07655	3.8
225.09132	4.2
229.08676	23.4
239.07129	3.4
241.08673	9.7
241.47192	3.2
257.08209	25.6
259.09735	6.0
269.08173	5.7
277.21695	27.3
278.22195	4.0
279.23300	100.0
280.23657	6.2
293.24976	6.3
318.09064	11.2
327.49451	3.0
343.13773	4.1
366.18707	3.0
371.12875	9.5
399.12283	14.8
403.73880	3.6
416.12845	7.4
430.14142	7.6
445.23471	11.9
447.24988	22.9
451.15454	3.5
469.16629	6.6
497.16055	10.3
511.17636	25.4
529.17657	4.9
530.21936	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	529.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21664	0.5
54.20849	0.6
59.01123	1.0
59.01387	11.9
61.98831	3.2
65.00336	1.0
67.13730	0.6
69.37036	1.7
69.37445	1.8
71.01382	2.4
73.02952	2.2
78.01114	0.8
81.03481	1.5
83.01398	1.0
85.02962	1.7
87.00880	1.1
89.00340	2.7
89.02415	1.1
95.01399	5.1
98.21845	1.1
99.00883	0.7
101.02440	1.4
106.00614	3.8
109.02978	1.9
111.00874	1.3
113.02482	0.7
115.59636	0.6
117.27740	0.6
120.99348	0.7
121.02968	49.3
122.00112	2.7
122.03261	1.6
123.00906	9.2
127.00368	1.4
136.98811	1.4
137.02458	14.7
138.03249	6.4
139.00363	5.3
139.04070	0.7
141.01950	1.0
147.95909	0.7
153.01927	1.2
153.05589	40.7
155.03505	3.9
161.02435	0.6
166.99823	4.1
181.01431	5.3
182.02208	6.9
183.02902	0.8
187.07634	0.8
191.20920	0.6
197.04568	100.0
198.04909	2.6
223.06151	1.1
265.10995	0.9
296.12689	1.0
310.14301	0.9
311.15024	1.7
325.16574	1.1
339.14529	1.6
353.16180	1.0
469.20798	10.7
470.21194	1.1
487.21860	12.5
488.21890	0.7
514.20618	2.1
529.22937	62.3
530.23236	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	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03449	1.6
59.01387	14.6
61.98835	0.5
69.03479	0.6
71.01389	30.4
73.02950	5.4
75.00858	0.7
78.94495	0.4
79.20482	0.5
80.91677	0.8
83.01396	2.1
85.02960	8.2
89.02442	3.6
95.01393	1.3
97.02912	0.5
98.21823	1.1
99.00875	2.3
99.04512	1.5
101.02458	10.0
113.02458	5.0
115.00387	12.1
118.04123	0.4
119.03526	1.1
128.19608	0.4
129.01933	0.8
151.07700	0.6
160.63042	0.5
161.04512	0.6
171.21506	0.5
197.04616	0.5
199.38519	0.6
200.30626	0.5
205.54785	0.5
233.15588	0.6
235.17061	8.1
251.16537	4.1
260.24811	0.6
279.55621	0.5
307.94406	0.5
317.98801	0.5
413.21823	100.0
414.22202	6.5
475.68845	0.5
529.22406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03187	0.3
54.28271	0.4
69.03457	1.0
70.88708	0.5
78.95906	7.6
81.03423	0.4
89.58183	0.4
97.02955	1.4
107.05003	0.6
110.98541	3.9
125.02449	1.0
147.04520	0.9
152.99606	0.5
161.06117	0.8
165.80743	0.4
167.01155	3.2
185.02199	3.3
185.09766	0.7
201.09230	0.5
210.82106	0.4
211.07668	0.6
213.09267	1.5
229.08702	1.2
257.08206	1.0
259.10065	0.4
279.23309	100.0
280.23618	4.7
361.23557	0.6
430.14050	0.5
447.25192	26.1
448.25513	1.9
511.17285	0.5
517.22754	0.4
529.24561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73418	1.3
59.02683	1.4
69.96479	3.8
69.96813	1.4
74.31541	1.2
78.95914	18.1
79.95735	3.1
87.00861	2.8
88.00380	1.5
88.98803	6.9
89.02451	75.9
91.71100	1.4
96.96021	100.0
146.17157	1.4
152.99603	23.0
156.32446	1.3
194.90071	3.7
194.93845	2.0
255.23306	4.7
431.22058	4.5
529.30835	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	529.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36247	1.2
56.47449	1.3
57.03445	2.0
57.43032	1.2
58.94029	1.1
59.01385	72.4
61.98839	1.6
69.03459	2.4
70.80025	1.4
71.01390	42.2
72.99332	2.8
73.02960	6.0
74.74265	1.6
78.95914	2.6
83.01380	3.1
85.02956	18.6
87.00860	2.2
89.02454	40.4
93.03493	1.9
95.01399	2.6
96.96030	2.6
97.02984	2.2
99.00880	1.5
101.02454	26.6
107.05008	1.3
111.00829	1.7
113.02460	17.4
117.03508	1.5
119.03512	17.6
122.75552	1.3
123.04496	1.9
125.02426	1.7
129.01979	2.2
131.03554	2.7
132.02258	1.4
133.02959	17.5
134.03752	9.7
135.04538	100.0
136.04866	2.8
143.03513	4.8
145.10236	14.1
149.02492	1.6
149.04625	2.8
152.99591	2.8
161.02460	50.8
161.04471	8.8
162.02832	2.9
163.07610	1.6
168.00607	3.0
173.00887	2.4
177.01945	1.7
177.05557	1.5
179.03513	67.4
179.05618	15.9
180.03857	1.5
183.13902	1.9
189.09207	9.5
191.01950	1.7
193.05037	2.2
213.14937	2.2
235.11856	3.3
252.36353	1.4
325.16553	17.6
367.16022	2.7
369.15491	18.4
370.15955	1.5
529.19244	54.7
529.26697	35.6
530.19464	4.7
530.27069	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	529.2813
Annotation	Ganoderic acid M
Peak:m/z	Relative Intensity
52.67047	1.5
57.03469	2.0
59.01384	28.3
61.98837	8.8
63.83632	1.6
66.15237	1.8
69.94872	4.8
71.01388	10.8
73.02959	7.1
80.43591	2.0
85.02962	3.8
85.52127	1.8
89.02447	2.4
89.52481	1.6
92.41156	1.5
93.74654	1.6
98.21971	3.0
101.02464	5.2
122.97815	1.9
163.11293	3.5
203.70003	1.8
205.12514	1.9
217.12494	2.2
227.10753	2.7
251.07242	2.5
263.07242	2.8
279.06668	6.0
294.09113	2.6
295.06281	2.2
323.05542	7.1
338.08084	4.8
353.10291	25.1
354.10828	2.0
423.29092	93.8
424.29520	3.3
441.30164	5.2
467.28253	2.4
485.29135	100.0
486.29431	7.3
511.27121	3.3
529.28271	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03444	0.6
59.01382	18.6
67.04924	0.4
69.03456	0.4
71.01386	7.1
71.41560	0.4
73.02959	1.1
73.33290	0.3
83.01408	1.0
85.02952	1.8
87.00890	0.8
89.02456	6.4
95.01387	0.8
97.02935	0.4
97.06549	0.4
101.02451	7.1
111.08166	0.6
113.02446	4.1
113.09743	0.4
119.03512	1.6
121.02986	0.7
125.09753	0.5
131.03519	0.4
143.03560	0.7
161.04555	3.7
163.11314	0.5
167.10744	0.6
179.05618	1.0
179.14424	0.9
181.12289	0.6
195.13918	9.5
196.14578	1.2
202.55519	0.3
205.12334	0.9
205.15999	0.5
209.11855	2.2
211.13434	0.8
223.13416	6.1
224.14107	0.4
231.21292	0.5
235.08235	0.4
245.19142	0.9
253.09303	30.3
254.09758	0.6
256.13235	1.6
256.75186	0.3
260.50751	0.4
265.21860	0.4
275.20145	5.3
289.18082	2.2
293.21246	100.0
294.21609	4.4
307.19153	3.8
341.30447	0.3
455.75345	0.4
492.22247	0.7
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	Unknow
Peak:m/z	Relative Intensity
57.03385	0.4
59.01385	10.7
61.98848	0.8
71.01387	5.3
73.02947	0.8
76.00779	0.5
80.11568	0.5
83.01381	0.7
85.02946	1.8
85.33613	0.4
87.00880	0.8
89.02445	5.8
99.00864	0.6
101.02451	6.8
111.08154	0.5
113.02456	2.6
119.03519	1.9
129.52637	0.4
130.43979	0.4
157.63719	0.4
161.04581	4.6
169.12468	0.4
170.30464	0.4
171.10124	0.5
179.05666	1.2
179.14465	0.8
195.13919	7.8
196.14575	0.9
205.12376	0.8
205.15976	0.5
211.13445	1.1
223.13409	5.4
228.13737	0.7
253.09299	30.8
254.09491	0.6
256.13168	1.2
265.21707	0.6
266.83783	0.5
269.04578	0.8
275.20160	5.3
277.70126	0.5
293.21252	100.0
294.21585	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	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.4
61.98848	1.7
71.01385	7.5
71.05009	2.0
73.02969	2.4
75.31934	1.0
75.76362	1.1
75.76780	1.0
78.69741	1.0
80.90442	0.9
83.01367	1.0
85.02958	2.3
87.00841	1.1
89.02455	8.3
101.02451	7.3
113.02460	3.0
118.96488	1.1
119.03497	2.4
143.03468	1.2
161.04576	4.0
231.21216	2.3
231.56052	1.2
235.08199	1.3
235.17046	49.8
236.17314	2.4
253.09317	37.1
274.45520	1.0
275.20184	67.9
276.20578	2.2
276.56174	0.9
293.21255	100.0
294.21591	6.1
447.90692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73727	0.5
52.61004	0.5
61.98841	6.8
67.74120	0.5
71.42245	0.6
78.95909	19.2
96.96027	1.3
129.87889	0.6
152.99599	3.9
164.99854	0.6
168.04343	2.7
179.77901	0.5
196.89409	1.0
224.06987	7.3
242.07904	1.5
255.23312	100.0
256.23630	4.3
277.21753	4.5
391.82803	0.6
445.23550	0.8
480.30997	59.7
481.31274	3.0
530.21588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22910	4.6
55.97278	5.1
58.70634	4.9
59.01385	100.0
61.98839	16.8
64.24700	4.9
64.44724	4.5
67.31720	5.0
69.44090	21.8
71.01389	30.3
73.02953	43.5
76.54386	5.4
83.01399	8.1
85.02943	9.8
87.90289	4.4
90.03297	4.6
101.02470	30.0
108.52878	5.4
109.02943	12.0
113.02439	8.6
119.03530	5.2
126.31881	4.3
181.58987	4.6
213.85924	4.7
227.10762	9.2
229.12183	6.0
245.11826	8.3
344.51352	5.6
359.43756	4.8
469.29517	13.1
487.30789	11.2
499.50330	5.1
531.28870	90.5
545.90985	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	531.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	72.4
61.98821	4.5
71.01385	11.9
72.99280	1.4
73.02957	17.5
73.04059	2.1
75.00879	2.6
82.02967	1.6
83.01376	3.2
85.02934	5.9
87.00851	1.3
89.02464	6.7
91.65322	1.3
101.02441	14.4
107.05010	2.1
109.02977	1.7
109.04022	1.6
109.05552	1.2
113.02448	6.9
119.03535	2.9
119.05028	7.8
124.04128	2.2
127.05146	7.8
128.03548	1.4
142.59338	1.2
143.07143	2.6
161.01047	1.2
161.04573	3.2
165.09221	8.5
166.06256	5.1
167.04648	1.8
179.03748	1.2
179.05705	1.9
180.10323	2.0
184.07291	6.8
202.05110	2.2
218.73906	1.4
222.12520	2.3
247.13538	2.3
283.17764	1.4
309.20728	2.4
317.65427	2.3
370.67166	9.4
371.17410	2.3
403.19839	1.8
403.69812	1.5
407.29843	2.0
423.69366	9.9
424.19507	1.7
451.28769	2.7
455.28418	3.1
456.21878	18.2
456.72012	5.4
469.29636	30.7
485.29037	2.7
487.30771	5.0
489.27231	2.6
509.23773	15.1
509.73920	4.6
513.28510	8.6
531.29565	100.0
532.29803	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	531.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64081	1.8
55.01874	3.0
57.03440	3.9
59.01382	100.0
60.01727	2.0
61.98881	1.9
69.03453	4.4
69.58430	7.5
71.01385	69.2
72.99344	3.2
73.02952	21.3
83.01384	10.6
85.02950	34.1
87.00888	3.7
89.02445	27.7
93.03438	2.2
95.01406	8.3
97.02966	5.9
99.00896	6.8
101.02444	35.8
103.04044	4.2
109.02982	2.1
111.00900	4.2
113.02458	49.4
115.47990	1.8
119.03528	11.8
119.05035	23.1
121.02942	2.1
123.04518	2.2
125.02448	13.7
128.03529	1.8
129.01950	2.5
131.03474	3.0
133.02989	4.0
135.04541	5.4
137.02446	2.4
138.47565	1.9
143.03484	10.0
155.03517	9.3
161.02490	14.7
161.04568	11.0
162.02786	4.7
162.68028	1.8
163.02968	2.3
163.06187	2.5
167.03499	5.2
169.08469	1.6
179.03505	3.6
179.05598	2.8
191.01810	2.2
203.05638	10.8
204.78699	1.8
221.06631	1.9
272.40417	2.0
281.10385	10.8
299.11444	5.4
341.12338	8.0
353.16071	3.8
427.16003	3.3
429.21271	3.7
445.17215	37.9
446.17618	2.7
485.20193	5.5
487.18259	58.5
488.18304	2.6
531.16687	5.6
531.24548	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	531.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55258	0.9
58.02959	2.0
59.01383	9.0
61.98827	0.9
70.02983	2.6
71.01381	5.3
73.02927	2.1
81.02199	6.0
82.03013	4.0
82.06635	0.8
85.02948	2.8
87.00877	1.2
89.02448	1.9
96.00924	7.9
98.02493	15.4
99.00886	1.1
99.05649	16.9
101.02434	3.4
109.01701	8.8
111.03226	0.9
113.02467	2.6
114.01962	2.4
114.02711	0.7
114.05608	1.5
116.92851	1.7
119.03490	0.7
119.04970	1.3
122.09741	1.6
130.08759	54.6
132.02173	2.4
133.01437	2.4
133.02919	1.6
134.03752	2.4
138.09265	18.9
139.08728	3.5
140.07173	3.0
140.10822	0.8
141.06718	10.8
147.05992	5.1
156.06714	0.9
159.02994	0.9
160.01671	7.2
161.02419	2.7
161.03537	1.7
161.04663	1.6
163.04068	0.9
163.08781	0.8
164.09619	1.1
165.10382	1.7
166.08762	22.0
167.08199	0.9
168.08990	1.3
168.10335	1.8
175.03973	7.2
177.02057	1.0
178.11281	0.9
179.03508	1.0
189.07057	23.6
191.07190	0.9
192.04279	1.1
193.05064	0.8
196.41096	0.7
197.16660	1.6
199.18100	1.4
204.09048	3.3
209.09389	2.0
210.07767	6.5
213.14977	0.9
222.10135	0.8
225.16103	7.2
233.16592	4.0
235.18175	6.7
236.11638	0.8
236.16705	0.8
243.17212	4.0
253.19194	2.1
261.16104	9.1
279.17169	8.4
285.58298	0.7
291.10611	0.7
297.18338	1.7
323.07941	2.5
323.16138	100.0
324.16284	4.2
337.09375	2.1
341.17194	10.8
385.13742	2.0
400.15503	1.5
435.81616	0.9
513.23907	50.1
514.24127	4.2
531.24762	19.9
532.25555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2969
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
50.39112	0.5
55.01881	0.7
57.03446	0.8
59.01385	7.8
59.65481	0.5
61.98826	2.1
67.08759	0.5
69.03465	0.6
69.10639	3.2
71.01381	5.6
73.02947	3.4
83.01400	1.3
85.02953	4.1
89.02448	1.1
101.02465	4.4
102.22821	0.5
113.02481	3.6
129.79901	0.5
147.11835	0.7
161.04585	2.3
211.13438	0.7
240.97452	0.5
259.45242	0.5
336.65735	0.6
369.19104	1.3
395.29132	0.7
425.30591	10.1
426.31140	0.7
469.29620	100.0
470.29980	8.2
471.26157	0.8
487.30731	6.9
531.29773	76.7
532.22894	0.6
532.30145	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	531.2969
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
52.32783	0.2
59.01380	2.5
60.99318	0.3
61.01758	0.2
61.98838	0.5
67.61913	0.2
70.96954	0.3
71.01389	0.6
73.02962	1.2
85.02966	1.2
86.24409	0.3
86.45876	0.2
86.58572	0.3
101.02444	0.8
113.02463	1.0
161.02510	0.3
161.04678	0.3
174.25739	0.3
205.14610	0.2
291.19647	0.3
309.20624	0.5
357.24219	0.5
407.29428	1.2
439.28543	0.4
443.32065	0.4
445.60449	0.2
469.29608	81.3
470.30014	6.4
485.28802	0.6
487.30688	5.4
488.30637	0.5
531.29626	100.0
532.30011	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	531.2978
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
50.35251	0.2
50.84414	0.2
59.01385	2.0
60.99276	0.8
61.98825	0.5
69.36725	1.1
71.01349	0.5
73.02923	0.6
80.64001	0.2
81.48077	0.2
85.02916	0.7
98.22669	0.5
101.02428	0.4
102.97454	0.2
113.02424	0.5
118.53690	0.2
192.61842	0.2
221.15498	0.4
307.33087	0.2
337.25476	0.2
357.24472	0.3
365.24933	1.0
383.25864	0.8
383.30707	0.2
407.29495	2.9
408.30283	0.3
423.29120	4.4
424.29413	0.5
425.30920	0.5
439.28726	0.4
441.30048	0.5
443.31464	0.7
451.28519	5.6
451.34763	0.3
452.28754	0.3
469.29596	100.0
470.29904	8.1
485.29221	0.7
487.24063	0.2
487.30667	5.6
488.30859	0.4
489.27420	0.3
531.29657	85.3
532.30011	8.0
535.95911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2968
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
59.01384	9.0
61.98787	1.0
62.71052	0.6
65.18880	0.6
69.03439	0.6
71.01394	3.2
73.02901	1.6
74.99063	0.6
83.01349	0.6
85.02961	3.6
89.02433	1.5
90.98541	0.8
96.95963	1.5
101.02451	2.5
103.76075	0.5
113.02403	1.7
125.09675	0.7
128.03462	0.8
133.02945	1.4
135.04495	2.1
137.42572	0.5
150.47543	0.5
161.02486	3.4
161.04494	0.6
177.09180	0.7
179.03535	2.6
180.03899	0.6
185.06078	0.8
203.07060	1.7
221.29395	0.5
295.06506	1.1
325.09384	0.6
339.23300	1.2
381.27850	0.7
451.28503	4.1
469.29611	89.8
470.29852	6.3
485.29028	0.8
487.22647	0.8
487.30673	8.4
496.92599	0.6
531.29694	100.0
532.30066	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	531.2968
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
54.77218	0.5
59.01382	10.1
61.98809	0.7
69.06345	1.0
69.06742	3.6
71.01384	3.3
73.01125	0.6
73.02905	2.1
79.19489	0.5
85.02961	4.5
89.02410	2.1
90.57268	0.5
90.98593	0.6
96.95970	1.6
97.02914	0.6
101.02409	2.3
112.50001	0.5
113.02408	1.8
117.00188	0.7
119.03444	1.1
125.09743	0.7
133.02962	1.1
133.39664	0.6
135.04536	2.9
161.02429	2.7
161.04454	0.7
167.03354	0.8
179.03452	3.3
179.05496	0.8
185.05959	0.8
191.01984	0.8
203.07074	2.0
251.07559	0.8
295.06589	0.8
339.23318	0.9
389.44016	0.6
417.35580	0.6
451.28394	4.0
465.15387	0.6
469.29620	83.5
470.29941	6.3
485.29117	0.9
487.30734	8.3
488.30756	0.9
531.29694	100.0
532.30023	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	532.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49520	2.1
61.98845	4.0
69.11587	12.4
74.69548	2.1
78.95921	7.1
98.21899	3.8
140.01210	2.8
194.20393	2.3
214.04892	2.4
266.95776	1.7
277.21753	100.0
278.21994	4.3
331.18436	1.9
335.17538	7.3
474.26239	34.1
474.32440	3.1
532.22040	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	532.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02969	0.9
58.10826	0.9
59.01378	1.5
61.44112	0.9
65.20744	0.9
69.10692	2.6
69.11075	3.3
78.69888	1.0
78.95440	1.5
78.95907	32.6
98.21915	2.4
98.22591	3.1
101.47696	1.0
122.72486	1.0
125.40146	1.1
138.92105	4.0
140.01202	9.3
152.99599	3.1
158.40050	1.1
188.88475	1.1
196.03844	13.1
214.04840	3.2
253.98410	1.9
277.21738	100.0
278.22083	4.2
324.22006	1.1
335.17572	2.0
443.13632	1.2
474.26257	76.7
475.26471	3.7
532.22186	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	533.0939
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.74061	4.7
55.01880	5.2
57.03448	11.4
59.01380	44.3
61.98835	14.0
65.04448	5.0
69.03468	8.2
71.01380	22.7
73.02964	5.7
83.01424	8.4
85.02953	74.3
86.03287	6.8
89.02455	14.9
99.00883	9.2
101.02450	11.0
115.00418	8.4
121.02981	8.1
121.50547	4.7
129.01970	7.0
133.01457	24.3
133.02977	12.2
134.03743	8.1
135.04515	14.2
137.02449	5.1
147.02951	9.1
148.50670	5.0
161.02513	27.4
161.04520	8.3
167.79562	4.9
173.00948	6.4
174.03258	7.8
179.03580	6.9
181.01390	7.7
188.04817	7.2
191.01965	16.3
191.03508	6.6
209.02937	6.1
222.05748	5.6
225.12616	4.5
227.03455	28.4
229.04984	11.2
233.12653	4.5
255.02948	57.0
256.03827	4.9
264.07886	6.4
267.06738	8.3
267.64630	4.5
279.06699	13.9
284.03253	81.3
285.04047	100.0
309.07922	6.5
323.05649	15.0
338.07919	16.4
341.10400	22.9
353.10312	90.3
371.11090	14.8
489.10449	43.8
533.16614	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67639	0.3
53.56776	0.3
57.03456	0.4
59.01381	3.9
61.98838	0.5
62.38961	0.3
69.03448	0.5
71.01389	2.6
82.02988	1.2
83.01370	0.5
85.02964	2.7
89.02438	0.3
93.03442	0.8
94.03016	0.4
95.05037	0.4
95.64269	0.3
98.21788	0.7
99.00897	0.4
101.02483	0.9
105.03459	0.7
111.00938	0.5
113.02455	0.7
115.00394	1.1
119.05064	0.4
121.02957	0.9
124.57311	0.3
132.02200	2.1
133.01416	1.4
133.02965	11.2
134.03764	10.8
135.04539	7.4
137.02444	4.2
139.04059	0.8
150.03206	0.5
160.01660	3.1
161.02458	17.6
163.04042	0.8
167.08249	0.3
173.04691	1.8
173.05855	0.3
175.04027	0.4
177.01950	4.3
177.05542	0.4
178.02744	1.9
179.03511	4.0
181.01520	0.5
193.05069	100.0
194.05402	3.1
197.04558	0.7
202.65852	0.4
203.03497	0.4
207.03000	1.1
211.07263	1.7
223.07219	0.5
252.64221	0.5
277.05069	0.5
327.08801	2.2
338.08011	0.4
339.05136	0.6
340.08035	1.3
341.08594	1.7
353.06320	0.5
353.10312	1.2
355.10312	0.4
371.07626	4.2
533.16406	0.4
533.23773	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03454	12.2
59.01386	5.5
61.98838	7.2
68.47887	0.7
68.99820	0.7
69.05807	3.3
69.06221	2.3
69.92868	0.7
71.01389	2.5
76.02034	0.7
80.25767	0.9
83.01406	4.1
84.02189	1.5
85.02957	100.0
86.03291	1.2
87.00907	1.1
88.53320	0.7
92.73833	0.7
98.22655	1.5
103.00374	1.3
111.00894	5.7
121.10259	1.2
123.04517	0.7
129.01956	14.3
134.03746	5.1
134.14151	0.7
135.04529	1.7
147.03011	11.0
160.01646	1.1
161.02286	0.9
162.99950	0.8
165.09201	5.6
168.86867	0.7
173.00908	4.9
175.03969	2.1
191.01991	21.0
193.05063	2.4
209.03055	1.4
233.11955	3.7
259.33652	0.8
316.28339	0.9
323.07654	1.4
329.17554	3.1
339.10880	1.4
357.11871	6.9
532.72729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60471	0.4
54.12576	0.4
59.01381	5.0
61.98832	1.5
62.44323	0.4
65.17583	0.4
71.01394	2.8
73.02954	0.5
76.64389	0.5
83.01382	0.5
85.02957	2.7
88.98798	0.5
89.02450	1.7
96.42451	0.4
98.21918	1.9
101.02456	1.5
113.02473	1.1
119.03521	0.8
119.05043	1.0
126.03989	0.6
129.01859	0.5
133.03023	1.3
134.03786	0.8
145.02950	3.0
161.02393	0.7
192.04329	0.9
193.05095	1.0
195.08153	1.0
202.56230	0.5
206.07321	0.6
207.06473	0.6
207.08195	2.7
208.08737	0.5
209.06047	1.2
217.06560	0.4
221.06169	0.6
223.07639	3.6
233.06058	2.4
234.06839	1.9
235.07690	4.6
245.06177	0.5
248.08427	0.6
249.05429	0.6
250.06407	1.0
251.07146	16.9
252.07469	0.5
261.05627	2.1
262.06378	2.9
263.07187	7.0
264.07932	6.0
265.08722	1.2
267.06616	1.3
277.08725	1.5
278.06058	0.7
278.09567	1.5
279.06659	26.1
279.10019	1.7
280.06973	1.0
281.08673	0.6
282.09058	1.6
293.08304	1.7
294.05966	0.9
294.08994	8.4
295.06131	7.5
306.05432	0.9
307.06140	4.1
308.06961	1.1
309.07928	0.8
309.11206	0.9
310.08453	3.3
320.06879	0.5
321.07608	2.8
322.08469	6.0
323.05624	22.7
323.08948	1.4
324.05896	0.7
337.07172	1.2
338.07990	28.8
339.08386	1.5
353.10318	100.0
354.10733	5.1
417.21133	0.9
533.17010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03454	12.3
59.01375	3.5
61.98834	22.9
68.41221	0.8
70.42706	1.2
71.01382	1.9
73.02953	1.4
83.01395	3.7
84.02147	1.4
85.02960	100.0
87.00877	1.7
97.59242	0.8
101.02425	1.3
111.00897	9.9
117.03469	1.5
121.10172	1.1
129.01962	20.3
133.02927	1.3
134.03764	14.0
135.04514	2.3
139.65846	0.9
147.03001	13.8
149.06058	1.2
160.01675	2.6
161.02429	3.7
165.09233	8.0
168.06573	1.1
173.00902	5.2
175.04030	2.8
179.03506	1.5
184.19482	0.9
191.02014	7.2
193.05078	11.8
233.11864	3.4
329.17624	9.0
357.11862	1.7
466.92795	1.0
532.72626	9.1
533.23541	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72152	2.0
59.01388	23.1
60.99299	3.0
64.10162	2.1
67.05850	2.0
70.02121	2.0
70.02436	3.4
71.01385	12.0
83.01418	2.4
85.02962	10.8
88.98817	28.6
89.02465	13.2
96.04565	3.4
100.72815	2.0
101.02477	5.9
113.02483	2.8
116.92873	3.2
119.03526	5.3
123.08168	2.0
133.01466	2.0
145.02933	3.2
181.09889	2.6
207.03001	3.0
207.08194	4.5
209.06168	2.1
223.07695	2.7
225.08919	3.3
235.07736	5.5
250.06474	3.9
251.07178	23.8
261.05539	2.8
262.06287	2.7
263.07126	11.2
264.07956	5.6
267.06689	2.1
277.20880	2.2
279.06635	27.5
294.09097	10.5
295.06152	11.6
306.31329	2.1
307.06152	5.1
310.08456	4.3
322.08447	9.0
323.05661	28.1
323.09143	3.7
338.07910	23.9
341.10999	2.4
353.10306	100.0
354.10657	3.6
434.67999	2.2
455.21683	2.6
473.22971	15.7
474.22656	2.4
515.24408	2.3
533.24561	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	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11551	1.7
57.03433	2.1
59.01380	26.1
69.03465	3.2
70.17777	2.7
70.18121	3.5
71.01389	15.3
72.99285	2.0
73.02944	4.4
85.02959	10.4
88.98825	9.5
89.02452	16.8
89.07827	1.6
91.70884	1.7
96.04594	2.3
96.95990	2.1
98.22517	2.0
99.69958	1.7
101.02446	8.8
113.02464	4.2
115.00387	3.6
116.92851	3.6
119.03514	3.8
129.01979	2.6
129.92178	1.8
133.01471	2.7
133.02954	2.7
134.03659	2.9
135.04529	4.8
137.02435	2.6
145.02960	4.4
161.02412	5.2
179.03604	1.8
179.05482	2.1
191.03641	1.8
193.04950	2.4
207.08160	3.4
207.13844	2.2
211.07375	2.3
223.07733	3.6
225.08862	3.5
234.06873	3.0
235.07603	5.7
251.07153	24.9
254.43692	1.7
261.05533	2.3
262.06223	3.7
263.07050	11.6
264.07861	4.8
265.08633	2.9
267.06613	1.9
276.95840	1.7
278.06070	1.9
278.09393	2.9
279.06613	27.5
282.08667	1.9
293.08051	1.9
294.09076	8.9
295.06091	11.7
307.06204	5.0
310.08359	4.2
313.08081	1.9
322.08514	10.2
323.05566	31.2
323.09207	3.3
337.07120	2.9
338.08002	25.0
339.07828	2.5
342.91104	1.8
353.10315	100.0
354.10406	4.9
371.11142	2.4
473.22736	13.4
533.24249	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	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24963	0.8
52.67001	0.9
55.01875	7.0
59.01397	1.6
61.25077	0.8
64.43617	0.9
68.64555	0.8
69.03461	100.0
69.05731	3.9
69.06152	3.0
70.03779	1.9
70.38319	0.9
71.01382	1.9
72.99326	2.1
73.05482	0.9
79.01897	7.5
85.02930	1.1
91.34467	0.9
95.01428	1.4
97.02961	20.0
98.22651	1.4
99.00887	24.1
101.02459	1.5
113.02463	1.1
121.57145	0.8
141.01962	12.3
148.33720	0.9
155.80984	1.0
156.92328	0.9
185.00928	87.7
186.01225	1.9
186.14290	1.2
240.92502	0.8
242.33458	0.8
253.79942	0.8
347.17175	5.8
533.18787	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	533.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03454	3.4
59.01085	5.3
59.01380	100.0
59.67901	2.9
61.98824	10.8
71.00987	3.2
71.01385	67.0
72.29340	2.5
72.41452	2.5
72.99309	2.8
73.02960	18.1
81.03417	2.8
83.01378	8.8
85.02947	33.4
87.00877	12.1
89.02453	67.6
95.01382	9.4
98.21796	4.9
99.00880	5.7
99.04507	2.9
101.02453	51.8
113.02456	45.0
119.03506	29.7
125.02432	4.6
129.01901	3.4
131.03502	15.1
133.02942	4.8
137.02469	4.7
143.03482	10.8
143.67665	2.8
147.03000	2.9
149.04489	3.2
161.02469	4.2
161.04559	29.6
167.10788	93.7
179.03871	3.5
179.05618	62.5
191.10783	8.8
193.04980	3.3
197.04556	4.3
209.11720	3.2
221.06662	42.3
221.11798	3.7
263.07736	16.2
315.91263	2.8
365.94446	3.1
371.16763	3.8
390.89871	2.9
417.58377	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62385	0.2
59.01403	0.5
61.49273	0.2
61.98833	3.2
69.95675	0.5
90.56001	0.2
98.22015	0.3
115.34480	0.2
121.83070	0.2
175.04060	0.6
188.04932	0.2
189.05502	0.3
201.05614	0.2
255.10225	1.1
257.15491	0.7
267.10345	0.5
269.11893	1.2
270.12579	0.9
283.13461	0.6
284.13977	0.3
285.14984	21.2
286.15295	1.0
299.12796	0.4
311.12988	0.4
311.16528	6.0
312.16821	0.4
313.14459	0.9
314.15347	0.3
327.16144	1.2
328.16742	0.8
329.17593	100.0
330.17999	4.9
441.65097	0.2
533.23926	8.3
534.24127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01387	52.0
60.99289	1.5
61.98833	7.6
69.03461	2.7
69.07772	6.8
71.01392	5.9
71.05022	2.3
72.99342	1.2
73.02951	1.5
81.02185	1.1
82.02992	84.1
83.01395	1.2
83.05013	1.0
84.04549	1.5
84.76366	1.2
85.02961	6.7
87.00879	1.1
88.98821	6.6
89.02441	2.0
93.10779	1.0
94.02998	33.9
95.05061	1.8
97.06612	3.5
101.02467	2.0
108.04570	1.6
108.98289	1.2
115.00365	2.8
122.06116	1.5
123.08169	3.9
133.01439	8.8
133.02980	3.9
134.03699	2.0
135.04536	3.4
135.08183	1.6
137.02455	2.0
149.07216	3.7
150.05635	20.0
150.06796	2.0
151.07651	2.8
161.02481	7.9
167.08272	48.1
179.03485	2.5
179.08286	6.0
185.00941	1.4
193.05031	8.4
193.06270	6.3
204.07938	1.4
207.13858	2.3
211.07257	100.0
212.07541	1.9
219.10280	4.9
223.07249	43.2
231.13991	7.7
234.12631	3.7
237.11337	2.3
249.14995	9.0
265.05118	1.4
271.40939	1.0
353.10327	7.7
411.22794	2.5
429.23917	2.6
455.21848	3.0
473.22870	7.2
491.08658	1.1
491.23828	3.7
515.24060	4.4
533.25043	84.2
534.25842	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	533.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67929	1.6
64.90184	1.7
69.19270	7.9
78.95905	27.1
79.25835	1.7
79.60138	1.6
86.42071	1.4
93.28902	1.7
110.98538	16.6
123.74296	1.6
126.43738	1.7
165.12894	1.7
167.01167	21.2
185.02162	3.5
199.13429	19.8
261.18393	1.7
279.19699	9.6
279.23187	4.5
347.25891	5.3
358.81790	1.8
363.25571	2.5
365.26984	100.0
366.27274	6.9
381.05884	1.9
476.27844	3.7
511.43863	1.9
533.28900	42.8
534.29193	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	533.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70407	0.5
69.39256	1.8
69.39657	1.0
78.95916	8.5
79.45477	0.5
80.42754	0.4
85.06589	0.9
86.86367	0.4
110.98534	5.5
112.67391	0.4
116.31631	0.5
129.41426	0.5
163.11336	0.9
165.12862	1.0
167.01210	2.1
176.73195	0.5
185.02197	5.5
199.13412	17.6
200.13843	0.7
261.18835	0.7
279.19714	9.1
279.23334	4.1
280.20282	0.5
333.29770	0.5
347.26001	5.2
363.25418	0.6
365.26993	100.0
366.27371	6.2
432.52502	0.6
476.27951	2.5
494.26129	0.5
521.48895	0.5
533.28918	16.1
534.22894	0.8
534.29999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48860	0.5
78.95908	7.1
85.06601	1.1
98.22828	1.0
110.98537	4.8
163.11392	0.9
165.12828	1.0
167.01097	2.8
181.12352	0.8
185.02177	4.0
199.11670	1.2
199.13411	16.2
200.13712	0.7
260.33469	0.6
279.19696	8.1
289.20444	0.5
347.25931	8.0
363.25217	0.7
365.26965	100.0
366.27347	6.1
367.69946	0.6
533.28979	14.6
534.29340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3123
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
57.03455	1.1
59.01382	9.5
64.27277	0.9
67.01902	1.0
67.88200	1.0
71.01388	3.1
71.39525	1.2
73.02953	2.0
84.90779	0.9
85.02955	6.5
86.54405	0.9
89.02431	1.3
93.03479	8.2
98.23361	0.8
106.66459	1.0
111.04552	1.9
113.02486	2.6
117.03365	1.0
121.02972	3.8
121.14234	0.9
130.32234	1.0
135.04521	1.0
137.02396	1.5
153.05577	2.6
155.03514	1.5
161.02475	2.1
173.04559	35.0
179.03470	1.3
197.04573	4.4
371.09857	11.7
471.31210	80.6
472.31662	5.6
489.32291	6.4
533.31281	100.0
534.31531	8.0
542.25330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.0
59.01383	62.8
60.01703	1.3
61.98835	100.0
63.49516	0.9
66.97636	0.9
71.01392	17.6
72.99295	1.4
73.02952	43.9
74.02490	1.4
79.20145	0.9
83.01397	12.7
85.02959	60.6
87.00871	1.3
89.02448	6.9
91.01901	1.1
99.00903	1.1
101.02454	37.5
107.39639	1.0
108.02193	2.3
111.00885	7.5
113.02465	9.8
113.21930	1.0
119.03503	3.9
123.04517	4.8
124.20910	0.9
128.03558	1.8
129.01959	21.1
131.03508	4.1
134.03784	9.3
135.04518	3.4
143.03488	4.0
143.04485	1.1
144.78665	0.9
147.03006	6.1
149.04533	5.3
149.06171	2.0
152.01137	1.3
155.03595	1.4
161.02460	3.3
161.04584	13.4
165.95299	0.9
166.02658	0.8
167.03477	9.2
173.00929	5.8
175.04056	2.1
179.03432	1.9
180.04208	0.8
191.02037	6.0
193.05081	10.5
203.05690	1.9
209.03154	1.3
216.39127	1.0
221.06705	3.8
235.06136	3.6
261.07761	1.5
297.06161	3.6
359.06207	1.7
373.12866	1.3
385.07684	1.4
410.95242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69591	1.6
59.29063	1.5
69.11322	11.0
78.95910	40.6
85.83718	1.6
102.79105	1.8
110.98563	6.2
122.00171	2.1
132.19652	2.1
140.01228	7.7
152.99573	3.5
167.01166	5.3
185.02228	1.8
196.03793	12.5
199.13332	3.2
200.13757	2.0
214.04768	3.4
279.23325	100.0
280.19965	2.4
280.23679	3.8
337.19128	3.0
338.58545	1.8
348.26382	2.7
365.26953	10.2
366.27405	24.7
476.27863	72.5
476.34766	3.4
477.28098	4.6
534.22516	15.9
534.29492	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	534.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97239	0.6
59.01371	0.9
65.00925	0.6
68.87897	0.6
69.08607	2.7
69.09028	2.0
78.69394	0.7
78.95908	10.0
98.21899	1.4
110.98518	1.8
138.92191	0.7
140.01234	2.7
152.99564	1.4
160.86626	0.7
167.01181	0.9
196.03893	1.6
199.13374	1.9
200.13788	0.9
214.04880	3.2
249.57809	0.7
279.23315	100.0
280.23560	4.5
333.03159	0.6
337.19055	4.0
348.26288	1.3
365.26993	7.1
366.27319	13.0
367.27661	1.0
426.41833	0.7
476.27847	28.5
477.28256	1.8
534.23145	12.2
548.24109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88107	0.3
59.01369	0.3
61.98835	100.0
69.36332	1.4
70.95740	0.3
85.02953	1.4
99.00917	0.3
130.29967	0.4
159.14023	0.3
222.14441	0.3
270.71512	0.3
330.17981	0.6
529.82214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21074	1.4
57.03474	3.3
58.02989	7.1
59.01089	1.7
59.01388	33.0
60.90201	1.5
61.98830	9.9
70.02987	24.5
71.01389	16.9
71.02516	4.3
72.00916	1.6
72.99323	2.5
73.02958	1.9
73.04075	9.6
76.60753	1.4
85.02960	17.0
89.02470	3.1
95.02539	3.2
96.00941	16.3
97.04083	2.8
97.90398	1.4
98.02483	5.7
101.02441	3.1
110.03600	3.1
111.00845	1.9
111.01974	2.1
113.02371	1.5
113.03610	14.6
114.01985	45.0
115.00393	19.6
115.05145	19.4
115.56328	1.3
116.05032	1.5
121.03033	1.3
128.03548	1.9
129.01947	1.9
129.10356	28.7
131.03671	2.7
131.04640	33.4
133.01451	41.9
133.02928	2.9
135.04581	2.7
141.10349	1.7
145.03116	2.2
146.06143	22.3
147.04536	4.2
149.02461	2.3
150.03239	2.9
151.08766	8.4
152.07133	3.0
153.05453	2.4
161.02448	4.5
164.04767	1.5
164.07162	9.3
165.05644	3.0
167.10641	6.5
167.11897	3.3
168.11455	27.6
177.01967	1.5
186.12498	21.6
191.02022	3.3
198.07939	1.9
208.03813	1.7
209.06837	3.0
210.12503	36.7
211.10905	3.1
214.57684	1.4
220.17674	1.6
223.06171	4.1
228.13634	8.9
241.13445	16.7
242.11899	3.3
258.16150	12.9
260.10461	2.7
266.13809	2.0
276.17157	10.2
315.18253	6.4
326.77545	1.7
333.19241	3.2
354.10611	2.0
357.19235	15.6
375.20404	77.3
376.20694	4.0
446.24249	3.0
472.21921	12.7
490.23120	100.0
491.23422	8.0
516.24469	3.3
534.25604	44.3
535.25348	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	534.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87917	2.8
59.01378	4.2
61.98830	5.6
70.32656	7.7
71.01368	4.2
78.95898	7.5
98.22545	2.8
101.02470	3.7
152.99542	3.1
157.04977	2.9
163.31754	3.0
196.89517	5.0
235.08273	4.0
253.09291	12.1
255.23306	100.0
357.63965	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	534.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	7.6
65.53400	3.8
66.00810	3.2
69.17165	17.3
69.62369	3.1
78.95914	31.9
98.21928	7.6
152.99638	19.6
153.00623	3.1
178.88458	6.6
186.04391	3.1
196.89496	57.0
197.89517	25.3
213.20247	3.5
234.40012	3.4
235.08240	4.0
253.09273	17.0
255.20557	4.7
255.23309	100.0
256.23505	4.9
441.10880	3.4
534.16302	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	535.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49070	0.8
55.01878	1.8
57.03453	13.4
59.01387	2.2
68.99834	0.9
69.10164	5.4
71.01376	2.3
72.99326	1.1
78.95899	0.8
83.01392	3.6
84.02184	1.1
85.02957	100.0
86.03304	1.1
87.00866	1.1
89.00368	0.9
93.03517	0.8
101.02464	0.9
105.39341	0.7
106.00626	1.8
111.00893	10.8
117.03465	1.9
119.05049	12.7
121.02974	12.6
123.00843	1.3
123.04541	1.2
129.01956	41.6
138.03230	1.2
138.40125	0.9
139.00397	0.9
145.02963	9.2
147.03008	11.2
153.05586	9.1
160.01767	0.8
163.04025	9.8
164.04333	0.9
167.03494	2.4
173.00919	10.9
179.22639	0.8
182.02299	1.2
191.01976	13.3
197.04575	22.7
209.03107	2.2
219.31071	0.9
231.06653	2.0
259.82465	0.8
265.07281	2.5
293.06711	2.1
312.12955	0.9
323.02756	1.2
327.07159	2.3
333.49237	0.8
354.38513	0.7
355.25400	0.8
371.06198	2.6
389.07291	4.5
425.63672	0.9
550.31702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13965	0.7
55.01877	2.6
57.03452	18.5
59.01379	7.0
69.39312	1.5
69.39709	3.0
71.01389	3.4
83.01393	5.3
84.02177	1.0
85.02956	100.0
86.03284	1.2
89.00356	0.8
89.02451	2.0
101.02425	1.8
111.00889	13.3
113.02456	1.4
119.04255	1.4
119.05040	18.2
121.02953	8.0
123.00870	1.1
129.01953	42.9
138.03261	2.8
139.00414	1.2
139.04051	0.9
145.02953	3.3
147.03021	14.5
153.05597	6.3
163.04022	17.7
163.05396	0.9
173.00925	8.9
182.02206	3.0
182.10971	0.8
185.19745	0.8
191.01987	14.2
196.03839	0.9
197.04550	13.0
203.07240	0.7
209.03056	3.4
222.05417	0.8
227.48253	0.7
231.06728	1.6
236.83264	0.8
265.07227	4.3
293.06696	1.2
303.71359	0.9
327.07300	4.4
337.05743	1.8
355.06754	2.1
371.06149	1.7
389.07135	4.3
435.54175	0.9
528.36969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48851	0.7
55.01876	2.2
57.03447	15.5
59.01383	2.2
67.01884	0.8
69.65619	2.7
71.01379	0.9
72.99312	0.7
78.01109	1.3
83.01389	5.5
85.02956	100.0
86.03321	1.1
89.00312	1.1
98.22612	1.3
106.00594	1.0
111.00900	12.6
117.03454	1.7
119.05043	13.2
121.02966	12.9
125.90942	0.8
126.95393	0.8
129.01961	44.3
130.02254	0.7
138.03201	2.5
145.02969	10.0
147.03004	13.2
153.05588	12.0
163.04047	10.1
173.00916	9.3
182.02190	1.6
191.01996	12.7
197.04573	29.3
209.03017	3.1
231.06641	2.7
265.07111	3.1
293.06638	1.5
327.07214	2.1
355.06985	1.3
371.06009	2.7
389.07172	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47794	0.5
53.57410	0.5
54.57744	0.6
55.01878	2.0
57.03453	14.4
59.01386	15.6
66.46353	0.5
67.01889	0.6
69.31303	3.2
71.01386	7.3
72.99310	1.3
73.02949	2.4
83.01377	2.7
84.02163	1.1
85.02957	100.0
86.03309	1.2
87.00885	1.3
89.02473	4.1
92.14249	0.5
101.02460	4.3
103.00394	1.0
111.00878	8.9
113.02476	3.7
113.85210	0.6
117.67982	0.5
119.03522	1.6
119.05034	7.4
121.02202	0.7
121.02962	4.4
123.00891	0.9
129.01952	28.3
138.03226	1.9
145.01331	0.7
145.02965	1.6
147.03014	13.8
153.05576	2.5
161.04575	0.9
163.03995	6.3
167.03603	0.8
173.00940	6.3
179.05621	0.9
182.02228	1.5
191.01996	28.9
197.04567	9.1
209.03050	7.7
265.07230	2.4
327.07327	2.7
355.06522	1.3
371.06329	2.5
389.07324	10.7
419.11157	1.4
463.47586	0.6
475.21912	2.8
493.22867	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	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72392	0.5
55.01883	2.4
57.03452	13.4
59.01387	4.5
69.37899	2.6
71.01373	2.4
83.01398	3.5
84.02180	0.9
85.02956	100.0
86.03275	1.1
87.00896	0.5
87.53975	0.4
89.00314	0.6
89.02458	1.1
98.21989	1.1
100.84843	0.5
101.02423	0.9
103.00376	0.6
111.00889	7.8
117.03458	1.5
119.05045	4.5
121.02972	8.4
123.00861	0.7
123.13161	0.5
127.00270	0.4
128.27327	0.5
129.01953	26.1
133.01433	0.6
138.03230	1.8
145.01518	0.4
145.02977	3.0
147.03011	14.9
153.05591	5.8
163.04025	4.9
166.02698	0.5
167.03517	0.6
173.00925	5.9
182.02222	1.3
191.01985	20.3
193.05035	0.7
197.04556	12.4
209.03072	6.1
237.43211	0.5
265.07147	1.5
293.06805	1.4
302.06503	0.5
327.07343	1.7
337.05731	0.7
355.06738	0.8
371.06183	2.0
389.07278	12.3
535.10767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10455	0.6
55.01874	2.8
57.03452	15.5
59.01384	4.5
61.98816	1.5
68.36354	0.7
70.04068	0.8
70.04408	1.5
71.01387	2.5
73.02935	1.3
81.90018	0.6
83.01392	4.7
84.02186	0.9
85.02957	100.0
86.03284	1.2
87.00867	0.9
91.01871	0.8
98.22587	0.8
99.11781	0.7
101.02492	0.9
102.55656	0.7
108.02145	4.3
109.02953	1.0
111.00888	12.9
117.03476	1.9
123.04542	5.8
129.01953	42.4
134.03761	17.6
136.01657	0.8
137.02440	0.9
141.22076	0.7
145.68788	0.6
147.03017	12.6
149.06082	1.9
152.01146	2.9
154.99835	0.8
160.01660	2.2
165.02042	1.3
167.03516	18.2
171.10501	0.7
173.00928	11.5
175.03981	3.4
178.02759	1.9
180.04297	1.0
191.01985	12.9
191.03604	1.0
193.05064	19.6
195.06747	1.1
207.06636	1.7
209.03035	2.4
225.07773	1.1
235.06155	4.8
261.07626	1.8
297.06128	5.4
298.61627	0.5
323.07925	1.5
341.05209	2.5
359.06290	2.8
367.06735	1.6
385.07742	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	535.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
57.03176	0.9
57.03452	13.4
59.01387	4.6
63.68224	0.4
64.83799	0.4
65.00331	0.6
70.07209	0.9
71.01395	2.7
73.02961	1.3
83.01392	5.5
84.02163	1.2
85.02959	100.0
86.03271	1.1
87.00875	1.4
91.01903	3.0
101.02460	1.0
103.00380	1.0
108.02200	4.4
111.00894	12.8
115.00404	0.5
123.00851	0.4
123.03648	0.5
123.04534	10.2
129.01959	24.2
134.03766	9.1
135.04472	1.0
145.01385	0.5
147.03015	13.1
149.02470	0.7
149.06097	1.5
150.03229	1.5
152.01152	1.9
160.01605	2.6
161.02443	0.7
162.03282	1.0
164.04787	0.6
165.05600	2.4
167.03511	24.9
173.00938	8.1
175.03996	4.4
178.02773	0.9
179.05724	0.6
180.18037	0.5
191.00414	0.8
191.02008	9.2
192.04228	0.6
193.05081	7.3
195.06610	1.8
207.06668	0.7
208.03745	0.8
209.02982	1.6
223.06158	4.4
227.51137	0.5
233.08379	0.6
235.06149	3.9
261.07773	2.8
297.06128	5.0
323.07654	1.4
341.05096	4.6
359.06293	2.5
364.78790	0.5
367.06555	0.5
385.07910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
57.03457	14.6
59.01379	15.5
69.03463	32.9
71.01385	22.3
71.38506	2.2
72.99316	2.7
73.02956	4.7
75.57226	1.5
78.67023	1.7
79.01881	1.6
83.01386	6.0
84.02146	1.9
85.02956	100.0
87.00864	2.7
89.02431	2.6
93.03445	1.6
97.01248	1.8
97.02950	6.5
99.00887	9.6
100.61634	1.9
101.02425	5.3
108.02113	1.7
111.00906	9.3
115.00406	9.5
119.05037	3.6
121.02972	12.1
122.03735	4.4
123.04475	2.9
129.01964	23.4
133.01440	3.1
133.02992	3.1
134.03760	6.4
135.04535	5.4
138.03146	1.9
141.01941	2.6
145.01389	1.8
145.02982	1.9
147.03029	15.4
149.02458	25.5
149.06055	1.6
150.03242	49.8
151.03928	2.2
152.01161	2.0
153.05573	3.4
160.01643	5.2
161.02454	2.3
163.04022	7.3
164.04805	20.6
165.05595	49.5
166.05969	2.1
167.03490	11.5
173.00905	8.3
175.04015	4.7
179.07127	3.5
180.04292	4.6
185.00940	30.6
191.02003	23.6
193.01466	9.9
193.05063	4.8
195.06642	49.6
197.04520	10.8
208.03772	20.7
209.02925	4.0
223.06123	75.9
224.06482	2.3
315.50635	2.0
349.18546	3.6
359.06171	2.5
371.11478	8.3
389.07300	6.2
419.13620	8.0
428.02600	1.9
487.42380	1.9
488.44461	1.8
535.19910	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	535.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
55.73136	0.9
56.94138	0.9
57.03445	1.2
59.01386	4.8
61.98835	2.7
69.03505	0.8
69.08562	6.6
71.01395	7.0
73.02937	1.4
73.61684	0.8
81.03464	2.2
83.01424	1.6
85.02959	11.8
89.03956	1.3
93.03465	2.1
94.52511	0.9
95.01408	2.6
96.21822	0.8
99.00875	1.5
101.02444	4.2
106.41978	0.8
108.02242	1.0
109.02965	5.4
109.39330	0.9
113.02470	3.6
115.00417	1.1
117.03483	6.2
121.02985	8.4
122.00095	2.2
123.00866	5.5
129.01942	2.0
132.02168	6.7
133.02963	2.1
134.03752	73.3
135.04114	1.6
137.02452	28.3
138.03226	3.1
139.00426	1.8
147.02980	1.3
149.06091	11.5
153.01974	1.5
153.05605	5.2
155.03506	5.2
160.01677	16.9
161.02454	3.0
161.04794	0.9
166.99872	5.8
175.04013	18.4
178.02724	18.6
181.01437	31.4
182.02214	7.2
183.13992	0.9
191.01987	3.6
193.05078	96.9
194.05437	2.9
196.03830	3.0
197.04559	16.0
239.05579	1.4
265.93509	1.1
281.07339	0.9
284.73425	0.9
295.08350	1.2
311.04144	7.5
325.06082	1.0
326.06442	28.2
326.10303	1.7
327.06866	1.7
341.08771	100.0
342.08994	3.6
353.10431	1.3
354.10730	1.9
355.10812	3.1
359.09866	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	535.1825
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
57.03439	5.2
59.01383	73.9
64.26553	1.1
67.01868	1.4
69.03474	3.6
69.35990	4.9
71.01385	36.9
72.99288	2.9
73.02947	4.2
75.00868	3.2
81.03432	1.7
83.01402	3.1
85.02953	42.6
86.03264	1.4
87.00861	1.4
87.15749	1.2
87.32493	1.3
89.02451	26.2
95.01371	3.6
98.22668	2.4
99.00858	1.7
101.02462	19.5
103.00368	1.7
108.02177	5.2
109.02937	2.8
111.00900	3.7
113.02457	11.8
115.00384	3.9
119.03469	11.3
119.04952	1.9
120.28333	1.3
121.02962	2.4
123.00900	8.4
123.04524	5.3
129.01974	9.1
132.02249	1.4
133.01431	3.9
133.02946	2.8
134.03712	3.5
135.02969	2.5
135.04535	2.6
136.01675	26.6
137.02412	3.2
138.03293	2.2
143.03496	2.7
143.05029	1.5
145.02980	1.3
145.06572	2.4
147.02982	5.0
147.04453	1.6
149.02448	3.0
150.03206	5.1
151.04025	42.4
151.05252	2.4
152.01132	1.5
158.03717	3.1
159.04520	5.3
160.05310	29.6
161.02440	5.9
161.04533	2.9
163.04025	3.4
164.04840	2.1
165.05553	3.8
165.34801	1.4
167.03540	2.1
173.01056	1.6
173.06073	3.3
174.03221	2.8
175.07642	23.0
177.05373	1.4
178.02759	1.5
179.03497	2.6
179.05617	2.1
181.04927	1.4
185.02382	1.8
186.03183	3.6
187.04021	15.0
188.04807	11.9
189.05504	2.3
190.02893	1.3
191.01979	8.2
193.01270	1.4
193.05112	2.9
195.06645	1.9
197.04523	3.1
201.05634	2.7
202.06381	2.8
203.07178	16.3
205.05394	1.4
208.03781	2.3
223.06091	3.6
239.07228	1.6
252.97371	1.3
267.06665	2.6
279.06665	1.9
280.03912	1.4
295.06140	6.5
295.55292	1.4
307.06277	1.7
310.08484	7.6
325.10834	51.6
326.11145	3.7
337.10828	4.8
355.11777	14.3
358.10608	4.8
373.12912	19.6
389.07254	1.7
412.44208	1.3
419.13306	1.5
477.01190	1.4
493.22833	4.6
535.18225	100.0
536.18616	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	535.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77599	0.2
53.99024	0.2
59.01389	2.3
59.64029	0.2
60.89727	0.2
61.98828	1.3
64.73022	0.2
71.01376	0.4
71.42233	0.3
73.02943	0.4
83.37601	0.2
85.02926	0.7
135.04532	0.4
161.02470	0.3
164.24704	0.2
195.06660	0.3
217.08678	0.8
229.08733	0.5
230.09496	0.7
231.10150	0.3
243.10320	0.6
244.10997	1.3
299.16608	2.7
301.14398	0.6
313.18079	3.2
315.16043	1.7
316.16727	0.5
330.18430	0.9
331.19159	100.0
332.19525	5.2
526.52081	0.3
535.25592	14.7
536.26056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98831	2.9
66.53757	0.2
71.41162	0.3
78.95865	0.2
80.21915	0.2
85.02953	0.5
101.81226	0.2
159.85826	0.2
201.05525	0.4
208.23192	0.2
209.79332	0.3
216.07928	1.1
243.17616	0.5
259.17099	0.4
260.10638	0.2
271.13425	0.9
272.14105	0.7
287.16537	18.8
288.16885	0.9
313.18060	4.3
315.16061	1.5
329.17639	1.0
330.18356	1.4
331.19159	100.0
332.19525	5.1
344.11118	0.3
535.25531	14.1
536.25970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
58.81569	0.7
59.01386	60.5
61.98837	100.0
66.84808	0.8
66.92991	0.8
69.46216	3.2
71.01395	5.1
73.02948	1.3
83.01395	1.4
85.02959	23.3
86.03313	4.2
89.02419	0.8
101.02473	2.2
105.70679	0.9
111.00905	2.9
113.02474	2.2
115.61842	0.9
123.04538	1.7
128.37352	1.1
129.01990	4.3
130.02263	1.1
134.03761	1.8
147.03009	1.7
148.03300	0.9
150.96123	1.0
161.02238	0.8
167.03545	3.8
168.03902	1.6
171.10352	0.9
173.00943	1.5
191.01997	1.7
193.05072	2.2
194.05376	1.4
235.06013	1.0
333.15732	2.5
338.30923	0.9
429.21271	7.1
537.22003	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	536.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25391	1.7
54.86262	1.5
57.03440	6.8
59.01383	63.5
60.84221	1.5
61.98836	100.0
63.32387	1.3
71.01379	14.5
71.41592	1.6
72.22683	1.3
73.02954	2.6
79.34791	1.9
83.01395	1.7
85.02958	49.6
86.03284	7.6
87.00883	2.2
89.02457	12.4
101.02435	6.3
111.00891	4.3
113.02463	6.1
119.03495	5.6
119.05030	1.6
121.02950	3.9
129.01955	12.7
130.02296	2.8
134.03737	2.4
135.04366	1.3
140.69119	1.5
143.04634	1.6
144.04547	1.9
147.03021	8.4
153.05656	2.2
161.02449	5.0
161.04515	1.9
163.04141	1.8
164.79330	1.6
167.03450	2.0
168.03792	2.2
173.00961	3.6
175.03900	2.5
179.03510	1.7
189.12801	1.9
191.01929	7.2
193.05089	2.3
197.04611	7.7
198.04976	4.2
203.05829	3.6
209.03033	1.9
225.15024	2.4
235.08688	2.3
317.25189	1.6
325.12057	2.5
339.12366	6.5
357.14468	13.7
374.13312	2.3
429.20892	2.6
465.17322	1.5
510.03781	1.7
537.15912	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	536.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.81992	1.8
70.54903	0.5
76.33792	0.5
78.09174	0.5
82.82883	0.5
103.23481	0.5
108.95579	0.5
126.57251	0.4
130.53563	0.5
134.06128	1.1
136.07668	0.9
285.38162	0.5
322.41751	0.5
472.18988	0.5
504.21753	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	536.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19479	0.5
61.98835	100.0
70.91615	0.7
81.18644	0.6
153.14885	0.6
161.02484	0.9
253.23251	0.6
314.91357	0.5
375.18335	0.8
403.30289	0.6
408.15030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03177	0.8
57.03456	11.1
59.01385	5.6
61.98830	1.7
71.01382	3.7
72.99335	1.0
73.02960	2.0
75.00885	1.4
82.95428	1.9
83.01395	3.9
84.02166	2.1
85.02956	100.0
86.03292	0.9
87.00895	1.7
95.05048	1.9
96.96053	1.1
98.21803	1.5
101.02452	1.9
105.03465	3.4
109.02973	0.7
111.00906	5.0
113.01727	0.6
113.02483	1.2
119.05077	0.8
119.20870	0.6
123.04542	2.4
129.01956	13.1
133.02972	17.4
134.03712	0.9
134.86473	0.7
135.04544	2.3
137.02390	0.6
137.09712	1.2
139.00372	0.5
147.03076	3.0
149.02451	1.1
155.10803	1.8
160.01659	0.9
161.02495	3.1
163.04045	1.3
173.00903	5.8
175.04024	0.8
177.01915	6.8
179.03432	1.2
185.11850	7.7
189.05580	0.9
191.01999	3.7
193.05086	0.7
199.09814	0.9
206.93617	0.7
207.13925	1.1
219.06490	0.7
230.87216	0.7
239.35921	0.8
253.14449	7.9
280.22156	0.8
297.13455	0.7
307.04541	0.7
315.14493	4.1
359.13391	3.9
391.12491	2.7
421.24490	0.9
477.14706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03452	14.8
58.03777	0.5
59.01384	10.0
59.45518	0.4
62.39283	0.4
65.52283	0.5
68.99823	0.7
70.71516	0.9
71.01389	4.7
72.99310	2.1
73.02940	1.3
75.00872	3.8
83.01387	3.3
84.02177	1.2
85.02959	100.0
86.03292	2.0
87.00896	1.3
89.02453	1.6
99.00899	1.1
101.02457	2.0
103.00387	1.1
111.00881	6.1
114.17267	0.5
115.00369	1.2
119.03461	0.5
121.02995	0.7
129.01952	13.1
131.02376	0.8
145.01448	0.6
147.03012	17.8
163.02592	0.6
163.03964	0.5
173.00938	2.6
175.04079	0.7
181.01433	0.8
191.01991	46.5
192.02367	1.4
197.04584	1.6
209.03091	0.9
219.57414	0.5
327.14722	0.7
345.15625	3.5
360.65515	0.5
475.18246	1.1
519.17041	1.4
537.18280	10.2
538.18805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
57.03455	17.1
59.01380	82.9
62.94328	3.5
69.03467	8.8
71.01389	67.7
73.02946	8.9
75.00864	5.2
78.95918	3.6
81.03460	12.2
83.01405	6.2
83.05044	10.2
84.02201	4.3
85.02955	100.0
86.03284	5.0
87.00865	5.6
89.02454	95.8
93.03482	4.2
95.05049	4.3
97.02956	17.0
98.00807	3.2
99.00906	4.8
99.04514	7.2
100.97620	3.6
101.02460	22.1
107.04991	5.7
111.00909	4.8
111.04511	18.1
113.02455	18.8
119.03581	3.6
121.02981	11.3
121.06626	5.9
123.04510	4.1
125.02422	20.5
125.06095	6.8
129.01942	11.6
131.03519	20.0
137.02383	4.8
137.06100	10.8
139.04013	16.2
147.03029	10.9
149.04559	63.1
151.07689	8.7
153.05559	3.8
165.05582	15.2
167.03525	3.8
169.08684	4.1
173.08199	9.6
173.10416	4.4
179.05611	3.6
181.01500	3.5
183.06630	24.4
191.01976	25.5
191.05617	18.6
197.04594	7.3
213.07788	5.8
233.83643	3.8
273.13321	4.3
293.08752	30.1
307.00418	3.9
314.45212	3.8
375.12888	24.2
477.16113	42.2
537.17523	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88073	0.4
56.06355	0.4
57.03454	2.9
58.00597	0.7
59.01384	100.0
63.32468	0.4
69.03463	1.2
71.01386	38.5
72.99318	0.6
73.02949	10.7
74.18362	0.5
75.00893	0.5
81.03430	0.4
83.01393	5.9
85.02957	16.4
87.00880	2.7
89.02451	24.7
95.01390	4.2
96.95995	0.5
97.02965	1.6
99.00906	2.4
101.02447	25.0
111.00903	1.4
112.01694	0.8
113.02458	28.0
119.03514	10.8
124.01675	0.8
125.02460	2.9
129.01909	1.1
131.03542	1.8
143.03519	4.7
149.04605	0.6
159.03049	1.4
161.04596	6.8
179.05583	4.1
303.18353	0.5
315.18164	3.2
329.79239	0.4
333.19107	4.0
357.19031	0.6
403.19604	0.5
413.22079	0.6
444.78583	0.5
447.22498	0.7
477.23434	60.2
478.23895	3.5
495.24509	53.0
495.32022	1.2
496.24875	3.8
537.26086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
69.04662	0.2
71.01389	0.3
71.34889	0.2
73.02921	0.2
82.95432	1.3
83.05040	0.5
84.64937	0.2
99.83443	0.2
161.02357	0.3
162.06900	0.4
171.68143	0.2
184.04643	0.2
247.17046	0.5
259.13364	0.4
259.20691	0.3
271.16986	0.4
274.15790	3.2
275.20364	0.2
287.16568	0.4
299.16565	0.3
301.18011	1.0
303.19669	22.5
304.20026	0.9
315.19653	10.0
316.20029	0.6
317.17508	0.5
331.19171	2.4
332.19925	0.8
333.20721	100.0
334.21066	5.3
477.25095	0.3
536.37573	0.4
537.27106	31.8
538.27448	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	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
61.98825	0.7
69.63741	0.9
69.64133	0.8
71.01379	0.6
82.95432	2.2
85.02957	2.1
89.02439	0.4
93.24001	0.3
94.20789	0.4
98.22635	0.4
101.02441	0.4
111.04506	1.3
115.28493	0.5
126.13583	0.4
127.61243	0.4
135.04547	0.5
139.07716	0.7
148.05402	0.4
161.02438	0.6
163.04012	0.4
175.60213	0.4
201.09116	0.6
245.19051	0.5
247.17172	0.8
257.15601	0.5
261.18607	0.8
273.14941	0.7
274.15790	1.3
278.23917	0.4
289.18115	38.0
290.18500	1.7
297.56729	0.3
315.19684	6.2
317.17584	0.4
331.19116	1.3
332.19913	0.7
333.20728	100.0
334.21048	4.8
477.25244	0.7
516.27069	0.4
537.27124	32.5
538.27551	1.7
539.25378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33243	0.2
50.52459	0.3
51.43531	0.2
59.01392	2.6
70.41097	0.5
71.01373	0.6
73.02978	0.3
82.95428	0.5
85.02972	1.7
95.57770	0.3
121.78028	0.3
134.03697	0.2
135.04547	0.5
161.02481	0.5
174.80301	0.2
179.03592	0.4
191.01993	0.7
193.05185	0.3
202.09787	0.3
214.10046	0.8
215.10883	0.3
227.10822	1.0
228.11554	0.8
243.13991	0.4
259.17072	1.1
282.16385	0.5
283.17056	1.7
289.18069	1.1
299.16510	0.8
300.17178	0.6
314.18768	0.4
315.19659	100.0
316.19968	4.7
331.19223	0.5
332.19989	0.9
333.20740	68.6
334.21082	3.5
337.23819	3.5
339.24402	0.4
477.24814	0.9
537.27087	33.3
538.27533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28448	0.9
61.98831	1.1
64.58971	0.9
69.31802	3.0
69.32211	2.0
78.95901	18.8
80.70705	1.0
89.11847	1.1
111.99357	1.1
152.99591	3.4
165.54135	1.0
168.04318	2.3
176.20557	0.9
224.06963	6.4
242.07979	1.5
253.35811	1.1
255.23306	100.0
256.23602	4.2
439.99948	1.1
480.30963	67.5
481.30957	3.7
500.35962	1.1
537.12976	1.4
537.34064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03453	14.9
59.01374	4.5
61.98838	0.6
69.54203	2.0
71.01369	1.9
73.02946	1.0
83.01383	5.0
84.02175	1.7
85.02959	100.0
86.03291	1.0
87.00925	1.2
87.92088	0.6
89.00330	0.6
89.02434	0.7
91.01907	2.7
101.02445	1.2
106.00664	0.8
108.02178	4.0
109.02951	0.7
111.00885	12.0
121.02968	9.3
123.00909	1.5
123.04523	7.9
129.01959	36.0
135.04532	1.5
136.01743	0.7
138.03236	2.2
139.00415	0.7
147.03020	10.2
152.01169	2.9
153.05580	6.3
161.02525	1.1
162.03429	0.6
166.02763	0.8
167.03505	16.5
173.00920	8.2
179.03491	1.3
182.02217	2.5
191.01999	6.8
192.04332	1.0
197.04578	15.4
198.04890	0.7
207.06621	1.4
209.03030	1.6
213.11116	0.7
235.06166	4.2
251.14456	0.6
265.07172	2.6
297.06192	2.7
327.07297	1.9
341.05118	1.2
359.06442	2.0
371.06189	1.5
389.07236	2.9
440.27408	0.7
456.79233	0.6
516.05920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50673	0.7
55.01874	2.9
57.03458	12.8
57.67044	0.6
59.01387	3.8
60.03093	0.5
69.53877	3.1
71.01394	3.3
73.02937	1.1
83.01379	4.8
84.02173	1.3
85.02959	100.0
86.03294	0.6
87.00884	1.5
91.01892	2.0
101.02474	2.0
102.01624	0.6
103.00356	0.7
107.52433	0.6
107.75922	0.6
108.02168	3.7
109.02958	1.0
111.00893	11.9
121.02980	7.9
122.35806	0.6
123.00867	1.2
123.04537	5.5
129.01955	20.8
131.31985	0.7
133.02979	1.0
135.04515	3.4
136.01711	1.2
138.03241	1.1
147.03023	13.8
152.01202	1.5
153.05598	6.1
156.83522	0.6
161.02495	2.3
166.02701	1.3
167.03514	13.6
173.00940	6.0
179.03532	2.6
182.02144	1.3
191.01978	8.2
192.04314	0.8
197.04572	14.4
202.02628	0.7
207.06656	1.2
209.03098	1.7
211.09312	0.6
235.06157	6.2
265.07254	3.8
266.48059	0.6
279.05093	0.7
297.06122	1.8
302.33740	0.7
327.07306	3.7
341.05267	1.6
359.06186	1.8
371.06134	1.0
373.78348	0.7
389.07373	2.5
464.06509	0.7
504.36908	0.8
539.17120	6.9
539.67352	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	539.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03451	12.8
59.01365	2.7
61.71829	0.5
64.25563	0.5
71.01396	1.8
75.00883	0.7
83.01378	3.5
84.02158	1.0
85.02953	100.0
86.03323	1.0
87.00889	1.3
87.24026	0.6
91.01882	1.5
98.21820	1.1
99.28086	0.5
103.00380	0.8
108.02209	2.6
109.02982	1.0
111.00895	10.1
121.02960	7.9
123.00907	0.8
123.04539	4.5
129.01949	18.8
136.01637	0.8
136.98907	0.6
138.03229	0.8
147.02998	11.1
152.01207	1.7
153.05573	5.1
155.24416	0.5
166.02623	0.6
166.99823	0.6
167.03494	9.7
173.00938	5.5
182.02238	1.1
191.01996	6.6
192.04332	0.9
197.04562	14.1
198.04945	0.9
207.06630	1.1
209.03000	1.4
226.04153	0.6
235.06093	6.5
265.07275	2.8
266.03506	0.6
297.06268	2.6
327.07217	3.0
341.05072	1.0
359.06140	2.3
366.99792	0.6
371.06177	2.2
389.07349	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	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37254	1.9
59.01085	4.2
59.01384	77.2
69.03458	1.9
70.69198	3.4
71.01385	51.9
73.02946	6.6
83.01415	1.9
85.02963	7.9
87.00894	11.8
89.02450	77.8
90.02785	3.0
95.01395	3.0
96.36971	1.9
101.02451	47.4
113.02452	21.4
116.98283	2.0
119.02752	3.0
119.03516	15.3
125.02481	4.0
131.03488	6.6
136.08366	1.7
143.03494	6.2
149.04587	2.5
161.04584	16.9
179.05617	91.5
180.05972	2.3
221.06674	28.8
281.08829	5.8
323.09769	7.9
323.76578	1.9
341.10928	35.5
377.08566	16.9
383.12015	81.5
384.12268	2.6
413.13007	3.2
443.14035	8.4
503.16205	100.0
504.16730	3.8
539.13947	52.1
540.14166	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	1.2
59.01385	14.0
60.01690	0.9
68.99844	1.0
71.01389	10.0
73.02956	2.9
78.01104	1.7
81.03468	1.4
83.01381	2.0
85.02959	8.9
85.73009	0.6
87.00883	1.1
89.00330	3.1
89.02458	2.5
91.01902	1.3
95.01385	5.1
96.10020	0.7
96.95992	0.7
96.98346	0.6
97.02942	0.9
97.80390	0.6
98.22688	1.8
99.00923	1.4
99.57870	0.6
101.02446	4.9
101.14701	0.6
106.00616	3.8
109.02966	2.6
111.00876	1.4
113.02465	6.5
114.02876	0.8
119.03542	0.7
121.02971	40.8
122.00082	1.3
122.03316	0.8
123.00896	14.6
127.00404	0.9
129.01883	0.8
135.04518	0.8
137.02458	17.4
137.99590	0.8
138.03230	8.2
139.00400	1.4
139.04013	1.5
141.01906	1.0
152.04749	0.7
153.05603	23.4
155.03520	2.9
161.02411	1.0
166.99861	12.2
174.13719	0.7
177.01910	0.7
179.03561	0.8
181.01442	22.7
182.02231	32.0
183.02901	1.3
191.01947	1.0
193.05203	0.9
196.03772	2.6
196.37640	0.6
197.04568	100.0
198.04913	2.0
211.06088	0.9
239.05606	2.3
311.04108	5.6
326.06409	20.0
327.06976	1.7
341.08789	79.7
342.09085	3.9
478.23602	3.1
479.24008	2.6
496.25388	3.4
497.25128	2.0
539.14185	3.1
546.34290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03461	1.6
59.01384	19.0
63.43486	0.7
67.01881	0.8
71.01024	1.3
71.01388	16.5
73.02947	2.7
78.01106	1.5
81.03457	1.7
83.01382	3.3
85.02957	14.4
87.00876	1.3
89.00319	1.3
89.02441	2.1
90.02238	0.8
93.03459	1.1
95.01380	3.1
97.02950	1.3
98.22697	1.8
99.00910	1.8
101.02451	9.1
106.00595	2.7
106.63035	0.9
107.01393	2.1
109.02944	2.8
111.00911	1.9
112.98785	1.0
113.02448	8.2
114.95666	1.0
121.02966	37.6
122.00104	1.4
123.00898	12.6
124.01672	2.3
125.02467	2.3
129.01930	1.1
133.02986	1.6
135.04541	1.0
136.98776	1.2
137.02452	18.5
137.99638	1.6
138.03246	12.0
139.00391	2.8
139.04018	10.0
141.01926	1.0
143.03467	0.9
147.02989	1.8
152.04764	1.2
153.01964	1.6
153.05586	33.7
154.02722	1.0
155.03508	2.9
161.02405	3.0
161.04556	2.1
165.01958	1.6
166.02679	1.3
166.99869	9.6
168.00655	1.9
169.25529	0.9
174.05675	0.8
179.03502	1.8
180.04268	1.7
181.01447	25.3
181.04944	1.2
182.02228	30.5
183.02982	16.5
191.01950	2.4
195.03035	1.9
196.03777	15.2
197.04561	100.0
198.04918	1.7
207.02980	1.0
208.03839	1.2
211.06146	14.7
224.03270	14.4
225.04016	4.9
229.24913	1.3
229.46083	0.9
239.05612	61.7
240.05989	1.5
251.05649	5.7
255.05060	1.3
262.22461	0.9
269.06696	5.4
281.06540	4.6
284.05301	1.1
285.06052	1.7
286.72491	0.8
299.07806	13.2
326.06247	4.5
327.07181	8.2
335.20697	1.9
341.08777	35.4
354.24503	0.9
479.12054	1.6
497.25589	4.1
524.11804	1.5
539.14093	73.8
540.14478	4.0
547.96796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03452	14.0
59.01384	16.0
66.92258	1.0
69.32305	4.1
71.01399	7.8
72.99328	1.4
75.00876	2.5
82.95419	20.2
83.01402	3.1
84.02164	1.7
84.95120	0.9
85.02959	100.0
86.03288	1.7
87.00879	2.3
89.02438	1.7
94.98075	5.3
97.39897	1.1
99.00893	1.3
101.02473	3.2
103.00353	1.8
108.29282	0.9
111.00883	4.6
113.93636	1.0
115.00376	1.5
125.02388	1.2
129.01971	11.0
133.02943	3.1
134.03786	1.4
135.04578	5.0
147.03012	13.5
161.02483	5.5
171.10243	1.1
173.00916	3.7
175.04031	1.3
179.03514	4.7
185.11839	2.0
191.01990	37.0
219.59821	1.3
253.14438	1.6
324.35229	1.0
341.19534	1.2
359.13528	3.6
377.09720	2.2
377.14539	40.9
378.15070	1.3
539.20728	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	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03452	14.0
59.01384	16.0
66.92258	1.0
69.32305	4.1
71.01399	7.8
72.99328	1.4
75.00876	2.5
82.95419	20.2
83.01402	3.1
84.02164	1.7
84.95120	0.9
85.02959	100.0
86.03288	1.7
87.00879	2.3
89.02438	1.7
94.98075	5.3
97.39897	1.1
99.00893	1.3
101.02473	3.2
103.00353	1.8
108.29282	0.9
111.00883	4.6
113.93636	1.0
115.00376	1.5
125.02388	1.2
129.01971	11.0
133.02943	3.1
134.03786	1.4
135.04578	5.0
147.03012	13.5
161.02483	5.5
171.10243	1.1
173.00916	3.7
175.04031	1.3
179.03514	4.7
185.11839	2.0
191.01990	37.0
219.59821	1.3
253.14438	1.6
324.35229	1.0
341.19534	1.2
359.13528	3.6
377.09720	2.2
377.14539	40.9
378.15070	1.3
539.20728	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	539.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.5
57.03448	13.1
59.01385	98.9
63.93460	2.5
69.49999	12.9
71.01391	50.0
72.99301	4.2
73.02942	4.0
78.95901	3.4
81.50743	3.0
85.02956	100.0
86.03279	3.6
89.02454	70.9
94.28635	3.2
97.67828	2.6
98.22711	3.0
99.00922	2.8
101.02454	17.5
111.00884	5.4
113.02470	24.0
115.00340	3.0
119.03519	8.3
121.03003	5.9
121.06622	3.4
129.01944	16.1
131.03523	12.3
133.02962	23.6
135.04529	13.7
139.04007	3.3
147.03030	14.0
149.04579	26.7
149.06090	15.8
153.05608	4.1
161.02464	70.1
161.04568	4.4
162.02751	3.7
167.03517	4.5
167.07164	13.6
173.00989	3.5
176.84583	3.2
179.03477	20.0
179.05632	6.5
191.02013	26.2
197.04597	7.0
215.09306	3.4
225.53568	3.3
329.12457	12.4
341.08899	8.1
391.56732	3.0
479.18021	13.9
503.14206	22.2
539.18762	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1986
Annotation	Romidepsin
Peak:m/z	Relative Intensity
52.96238	0.5
55.01890	3.4
57.03451	13.4
57.07412	0.4
59.01383	9.2
62.95803	0.5
71.01382	5.6
72.99319	1.5
73.02950	1.2
73.55985	0.4
75.00884	3.4
83.01409	3.4
84.02177	1.4
85.02956	100.0
86.03291	0.8
87.00906	1.2
89.02444	0.8
93.75328	0.4
94.60833	0.4
98.21850	0.8
99.00906	0.8
101.02454	2.1
103.00372	1.5
111.00896	5.6
115.00390	1.3
125.39466	0.5
126.15313	0.5
129.01958	10.5
135.04488	0.9
147.03012	16.1
151.02692	0.4
173.00893	3.2
179.03485	0.8
191.01985	47.0
192.02240	0.7
199.01225	0.5
329.16129	0.9
347.17197	4.4
477.19843	0.8
503.17648	0.6
521.18665	2.1
539.19891	17.1
540.19696	1.0
542.33502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71003	0.4
55.01881	5.6
56.30621	0.5
57.03458	3.0
59.01385	80.5
69.03472	1.7
69.07546	3.2
71.01387	33.1
72.99326	1.0
73.02952	15.4
75.00877	1.2
78.37469	0.4
80.58096	0.4
81.03452	0.8
83.01392	9.9
85.02957	22.6
86.00105	1.5
87.00892	2.8
89.02450	3.2
95.01394	5.2
97.02950	3.5
99.00883	5.3
101.02449	27.8
111.00908	6.4
112.01685	1.3
113.02457	15.7
114.02769	0.5
115.04036	0.8
119.03513	0.6
121.02979	1.7
123.00912	0.8
124.01632	1.1
125.02464	5.9
129.01959	1.8
135.04558	1.6
137.02507	1.2
138.03317	0.5
139.04045	0.5
141.01897	1.2
143.03528	4.0
146.14069	0.4
153.05595	1.8
159.03015	2.9
161.02487	2.1
161.04553	7.1
166.16150	0.5
166.99850	0.5
168.98032	0.4
169.12440	0.4
171.13708	0.5
173.15485	0.7
179.03580	0.8
181.01416	0.5
182.02229	1.6
196.03862	0.5
197.04538	4.7
211.06219	0.6
215.16780	0.4
239.05591	2.1
258.40121	0.4
266.43466	0.5
299.07693	0.5
317.19614	3.8
323.07693	0.6
335.20755	10.2
341.08707	2.2
377.11575	0.5
377.21613	0.5
390.62137	0.5
405.21161	1.1
431.23035	1.5
449.23718	0.6
460.48740	0.5
479.24994	100.0
480.25363	5.6
497.26074	70.5
498.26422	4.6
539.14111	1.6
539.27155	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	541.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03437	2.8
59.01385	10.5
67.01890	1.0
68.99838	4.2
69.03449	3.0
71.01384	20.4
71.19464	0.9
72.99333	1.1
73.02951	33.1
76.29639	0.8
78.01112	1.1
81.03453	4.2
83.01398	3.8
85.02957	16.6
87.00880	1.1
89.00327	1.7
89.02447	1.9
92.91478	0.8
93.03456	2.0
95.01382	2.2
95.05018	1.3
97.02956	11.9
99.00891	28.1
99.04520	3.4
101.02452	23.7
103.37650	0.9
106.00597	3.1
107.01396	1.0
107.05028	2.5
109.02953	3.4
111.00856	2.4
111.04508	1.9
112.98743	1.0
113.02448	5.9
119.05045	1.3
121.02969	36.5
122.00106	1.5
123.00890	10.2
123.04508	1.6
124.01649	2.3
125.02446	2.6
125.06085	4.5
127.04003	1.4
129.01953	1.4
135.03622	1.2
135.04544	12.4
137.01445	1.5
137.02460	21.5
137.06046	1.5
137.99590	1.2
138.03252	12.4
139.00362	2.5
139.01382	1.0
139.04068	4.4
141.01968	1.1
153.01825	1.2
153.05598	35.0
153.99074	1.0
155.03445	3.9
163.04039	5.8
166.02730	1.4
166.99881	5.7
168.00708	1.4
177.05528	1.3
179.03554	0.9
180.04321	1.5
181.01472	15.1
181.05084	33.9
182.02246	13.9
183.02995	6.2
191.02032	4.5
195.02945	0.8
196.03784	6.3
197.04564	100.0
198.04893	2.4
199.06099	2.4
211.06094	9.1
224.03259	6.5
225.03955	1.6
237.04314	0.8
239.05630	60.1
240.05998	1.9
269.06668	9.8
281.77264	0.8
299.07727	26.6
326.06525	4.2
341.08792	61.7
342.09161	2.0
359.09695	2.5
541.15637	69.8
541.22211	3.5
542.15662	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96874	2.2
53.14132	2.3
55.01882	3.7
57.03452	5.1
59.01382	13.0
68.99803	4.8
69.03439	3.3
69.54812	9.0
71.01384	18.7
73.02951	32.5
81.03448	4.5
83.01385	2.6
85.02958	42.6
97.02937	10.1
99.00901	25.9
99.04499	3.0
101.02454	22.5
109.02931	3.8
111.00841	4.2
113.02436	6.0
116.11550	2.3
121.02969	34.9
123.00895	8.5
125.06123	4.3
129.01945	4.6
135.04521	11.8
137.02452	19.7
137.06091	3.5
138.03220	9.2
139.00429	2.6
139.03983	3.1
147.02988	6.9
153.05566	33.7
155.03577	3.9
163.04062	5.9
166.99820	3.4
181.01540	12.8
181.05067	39.9
182.02188	12.8
183.02916	5.1
191.01950	19.2
196.03792	9.8
197.04567	100.0
198.04863	3.0
199.06100	3.5
211.06114	10.2
224.03282	5.7
239.05618	65.5
240.06010	2.5
269.06610	12.8
299.07788	28.4
326.06329	7.0
329.91177	2.6
341.08813	58.8
541.15521	83.6
541.22894	5.8
542.16144	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	541.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20232	1.7
57.03463	2.0
57.27452	1.7
59.01387	42.3
63.72123	1.5
67.01909	2.3
69.03476	2.1
71.01387	29.9
73.02951	14.7
74.09281	1.7
81.03437	2.7
83.01386	3.2
83.04997	1.7
85.02962	20.7
86.03307	1.9
89.02452	20.1
93.03507	3.0
95.01389	2.6
96.96021	2.3
97.02960	7.2
99.00872	11.4
101.02451	33.9
106.00616	1.9
107.05050	2.6
109.02975	5.0
111.00882	3.0
111.04533	2.9
113.02428	8.5
117.60601	1.5
119.03528	12.2
119.04942	1.8
121.02966	33.5
122.00097	1.7
123.00881	5.9
123.04556	2.1
125.02454	2.0
125.99638	1.9
134.03781	3.7
135.04549	13.0
137.02464	22.9
137.99530	2.0
138.03252	6.7
153.05595	30.8
153.99139	2.0
155.03525	5.3
161.02487	3.8
163.03984	8.2
166.99956	2.3
179.05618	2.7
181.01439	3.2
181.05080	16.7
182.02199	6.1
191.01970	3.8
193.05106	1.8
196.03790	27.0
197.04570	100.0
198.04933	2.8
211.06093	4.6
244.33028	1.7
281.06702	25.7
317.10324	19.4
341.08728	2.7
361.09329	23.4
389.24677	1.9
391.98236	2.1
462.24606	1.7
481.19403	2.5
506.09653	1.8
513.11896	2.0
541.15253	10.4
554.24860	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	541.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03175	0.8
57.03452	12.3
59.01378	7.9
60.58467	0.5
60.71143	0.5
61.73408	0.5
68.99820	0.6
71.01392	6.0
72.99319	1.6
73.02946	2.9
75.00886	3.0
75.92168	0.6
82.45135	0.6
83.01396	3.3
84.02187	1.3
85.02956	100.0
86.03290	1.0
87.00880	1.7
89.02437	1.2
98.21767	0.8
99.00898	2.7
101.02458	2.0
103.00375	1.8
111.00900	4.8
113.02425	0.8
115.00334	1.1
121.02969	3.5
123.00907	0.8
129.01964	13.4
133.01443	0.6
133.02951	0.6
135.04512	1.9
137.02454	1.4
138.03256	0.9
138.56802	0.5
139.04074	0.6
147.03017	14.8
153.05577	3.5
161.02446	1.0
161.04176	0.6
173.00897	2.9
179.03534	0.8
181.01552	0.6
181.05127	2.0
182.02220	1.4
187.13411	2.3
191.01991	55.5
192.02364	0.9
197.04550	12.4
209.03033	0.9
211.06142	1.0
218.73163	0.6
239.05618	2.9
269.06653	0.9
280.92429	0.6
299.07785	1.9
331.17554	1.3
340.79865	0.6
341.08813	2.8
342.09088	0.9
349.18738	6.2
349.57129	0.6
479.21381	1.3
523.20599	2.9
541.15515	2.4
541.21942	16.9
543.70251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.7
59.01383	3.0
61.98819	0.5
68.81906	0.4
69.03447	0.4
69.15047	0.4
71.01376	1.3
71.39175	0.4
72.00906	0.7
73.02945	0.9
73.64666	0.4
74.02487	1.6
82.02982	1.3
84.04540	2.5
85.02965	0.6
86.02486	14.1
86.03020	0.7
88.04044	0.8
96.04553	0.5
96.96016	0.5
101.02452	0.9
101.73530	0.4
102.98602	1.6
106.03736	0.4
116.92865	0.8
120.01262	16.2
120.67405	0.4
127.05145	1.6
127.08794	12.2
128.03551	100.0
129.03889	0.8
153.06726	6.3
160.69200	0.5
161.02417	0.4
165.12881	1.4
171.07768	33.0
179.04727	1.2
189.05098	0.4
192.24425	0.4
197.05875	0.7
197.11874	0.9
213.03456	1.2
215.06729	5.0
231.02220	0.5
231.04486	8.4
247.20634	0.8
249.05515	48.6
250.05678	0.6
291.19702	4.9
305.17529	0.5
319.22699	2.4
337.23849	3.1
343.24728	0.8
377.99744	0.5
412.21494	0.7
447.51071	0.5
481.28580	0.6
499.29028	1.2
523.25421	0.9
541.31030	7.5
542.30463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2602
Annotation	CHEBI:67691
Peak:m/z	Relative Intensity
53.04596	0.9
54.50133	1.0
55.86937	0.8
58.02988	1.4
59.01390	2.4
59.66185	0.8
65.00330	2.0
69.03455	2.6
71.01377	1.1
71.05022	2.0
72.97552	8.1
74.02467	2.0
79.29330	0.9
82.02992	2.5
83.05025	1.1
84.04542	3.0
86.02486	19.1
88.04035	1.2
94.17361	1.1
97.02965	2.6
97.06580	1.6
98.87460	1.0
99.00903	8.4
101.04084	0.9
106.78165	0.9
107.06131	1.0
113.00658	1.0
113.04297	3.2
123.08166	2.2
123.27570	1.2
125.09731	4.1
127.02274	2.1
127.05137	4.6
127.08785	17.6
128.03551	100.0
136.98734	1.2
139.49495	1.0
150.10219	1.1
151.11259	1.3
153.06702	5.8
161.09717	1.9
163.11313	3.5
164.98294	3.9
165.12854	4.2
169.06178	0.9
171.07765	89.2
172.08028	1.7
179.04691	1.7
179.10777	5.4
180.41127	1.0
181.12302	6.2
197.05670	2.0
197.11829	22.7
199.13419	3.4
207.10298	10.8
215.06773	13.7
216.10703	1.1
223.13420	2.4
225.11353	18.9
241.10837	4.5
243.12402	7.9
255.01553	1.0
256.11435	8.5
269.04562	7.1
271.06161	2.2
291.19714	14.8
299.15186	1.4
315.14432	3.9
317.16049	5.8
325.18448	36.5
326.18646	1.3
350.21616	2.1
412.21701	9.7
523.24939	4.3
541.26483	59.3
542.26794	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	541.3022
Annotation	Simplexin F
Peak:m/z	Relative Intensity
59.01389	20.5
59.64258	1.8
60.24916	1.6
61.98835	1.9
62.08537	1.6
71.01385	5.8
73.02954	6.3
75.87355	1.9
83.01418	2.5
84.87825	1.8
85.02966	3.4
89.02487	2.1
98.21882	4.0
101.02444	4.9
113.02489	2.9
127.56394	1.6
130.20433	1.8
235.16985	2.6
319.22818	37.7
337.23810	8.8
481.28397	6.1
497.23886	3.8
499.29095	14.2
541.30322	100.0
542.30804	5.5
545.52386	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	541.3019
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
51.04046	0.1
55.01881	0.1
57.03449	0.2
59.01383	7.5
61.98838	0.2
63.31426	0.1
71.01394	1.4
72.99356	0.2
73.02952	1.1
81.07442	0.1
83.01423	0.2
85.02956	1.2
86.00109	0.1
87.00888	0.3
89.02466	0.4
95.01382	0.2
98.22658	0.2
98.48737	0.1
99.00891	0.2
101.02442	1.0
111.46325	0.1
113.02470	0.5
116.01158	0.2
121.02964	0.2
129.37140	0.1
131.03497	0.1
135.04556	0.3
140.21930	0.1
155.92207	0.1
161.02449	0.2
171.23003	0.2
191.01996	0.4
205.12369	1.3
220.14658	0.5
221.15485	0.7
289.21844	0.3
301.21725	1.5
302.21854	0.2
307.22714	0.5
319.22787	35.9
320.23111	1.8
337.23886	8.6
338.24136	0.4
377.11444	0.2
377.61694	0.1
481.28131	4.4
482.28503	0.2
499.29160	12.6
500.29572	0.7
541.30194	100.0
542.30530	6.9
542.38904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3021
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01871	0.5
57.03448	0.5
58.00562	0.3
59.01384	28.6
60.93066	0.2
61.98832	3.9
69.03448	0.4
69.73664	0.2
71.01385	10.9
72.99323	0.4
73.02951	14.3
80.91692	0.8
83.01395	3.1
85.02953	3.6
87.00867	1.1
89.02446	4.8
95.01382	1.0
96.95998	0.4
97.02972	0.6
99.00864	0.7
99.04487	0.3
101.02451	10.2
113.02463	4.3
119.03536	1.3
125.02481	0.4
126.05630	0.5
135.04543	0.5
161.02458	0.4
161.04538	0.6
162.02322	1.2
179.03598	0.3
204.03384	0.3
205.12297	0.3
221.15456	0.4
235.04314	0.3
259.20627	0.8
261.05942	0.3
301.21823	2.9
307.23044	0.3
319.22794	17.4
320.23047	0.7
321.24402	1.7
337.23904	2.3
396.43015	0.3
424.41412	0.3
481.28195	3.5
499.29175	14.2
500.29541	1.2
541.30206	100.0
542.30518	6.7
542.62170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45452	0.2
55.01873	0.7
57.03437	1.2
59.01383	29.3
60.01693	0.3
61.98824	1.0
69.20546	1.4
69.20916	0.4
71.01386	11.6
72.31747	0.2
72.99317	0.7
73.02950	14.4
74.36141	0.2
78.91874	0.4
83.01394	2.9
85.02954	6.0
86.00037	0.2
87.00878	0.9
88.08844	0.2
89.01903	0.2
89.02454	5.0
89.17570	0.2
95.01389	1.1
96.96024	0.3
97.02941	0.4
98.21876	0.6
99.00884	0.8
101.02448	9.8
111.00897	0.3
113.02451	4.8
116.92870	0.3
117.18554	0.3
119.03483	1.5
129.01935	0.5
131.03532	0.6
133.02963	0.3
135.04492	0.5
137.02422	0.4
143.03554	0.4
161.02385	0.7
161.04550	0.6
164.27992	0.3
173.00954	0.3
179.03625	0.4
186.23160	0.2
197.04533	0.4
221.15543	0.6
245.58809	0.3
259.20688	1.1
289.08676	0.3
301.21808	3.4
315.23218	0.3
319.22794	17.5
320.23212	0.8
321.24338	2.2
337.23901	2.8
361.23749	0.4
361.97516	0.3
394.96481	0.3
481.28067	4.5
482.28580	0.4
499.29181	16.3
500.29507	1.1
526.02185	0.3
541.30206	100.0
542.30573	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	541.3026
Annotation	Simplexin F
Peak:m/z	Relative Intensity
50.96064	0.2
51.97005	0.2
52.49603	0.3
55.01898	0.4
57.03455	0.5
58.00579	0.2
59.01385	22.3
65.00312	0.2
69.03466	0.2
70.73902	0.2
71.01387	8.0
72.99297	0.3
73.02952	10.9
81.03486	0.4
83.01381	2.3
85.02947	2.7
87.00881	0.8
89.02451	3.4
95.01399	0.8
96.96027	1.2
97.02975	0.4
99.00893	0.3
101.02453	7.7
111.81650	0.2
112.01681	0.3
113.02464	3.7
119.03479	1.0
125.02435	0.4
131.03526	0.3
142.02707	0.3
161.02402	0.3
161.04501	0.2
169.00169	0.2
205.12363	0.5
221.15462	0.9
224.12662	0.2
259.20685	0.8
269.04584	0.3
271.23672	0.2
283.04041	0.2
289.18094	0.2
301.21805	3.4
307.22955	0.3
315.23199	0.3
319.22794	25.6
319.63712	0.3
320.23120	1.3
321.24414	1.4
322.07172	0.2
337.23868	5.2
338.24136	0.3
422.52155	0.2
481.28101	11.6
482.28354	0.6
499.29175	20.5
500.29630	1.2
541.30206	100.0
542.30518	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3026
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
54.48581	0.4
57.03437	0.7
57.22428	0.5
59.01385	9.3
61.98838	1.1
71.01399	1.4
74.99134	0.6
82.65922	0.5
85.02965	0.9
96.96011	0.7
101.02460	0.8
113.02477	0.7
116.97261	0.7
118.98125	0.6
161.02483	0.7
221.15622	0.5
301.21658	1.1
307.22794	2.2
319.22876	4.2
320.23071	0.7
337.23871	100.0
338.24243	5.3
351.31711	0.6
353.27426	0.5
379.24991	6.5
403.75043	0.5
541.32367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3025
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
59.01382	7.2
69.24312	3.3
71.01399	0.8
87.63692	0.5
94.05642	0.6
101.58852	0.6
111.04545	0.8
164.98329	1.0
165.73071	0.6
174.49026	0.6
269.04602	2.3
271.06146	0.9
295.61542	0.6
305.17548	0.7
319.22836	2.5
337.23874	100.0
338.24274	3.9
379.24930	29.8
380.25363	1.2
440.53131	0.8
455.75732	0.6
541.30304	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	541.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01376	1.9
60.99025	1.1
60.99313	15.2
71.01363	0.9
72.14425	0.5
78.95891	0.7
85.02950	2.8
87.00896	0.8
88.98814	100.0
89.02448	4.5
96.96043	0.9
98.21899	1.6
137.67514	0.5
141.41814	0.6
144.51003	0.5
154.00433	0.5
191.02045	0.8
211.49405	0.6
220.65247	0.6
333.01968	0.5
371.57623	0.6
438.98700	0.7
541.19299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31683	0.5
59.01379	2.2
61.98834	100.0
70.28599	0.4
71.01396	1.7
71.39352	0.6
73.02937	0.6
85.02962	0.9
95.63679	0.5
113.02497	0.8
114.66627	0.5
115.92165	0.6
116.92896	2.3
117.92915	1.6
118.98092	0.9
120.99679	0.6
125.97099	0.4
126.05653	2.1
161.02419	0.8
172.92065	0.5
173.55225	0.5
181.07446	0.5
204.03378	3.6
286.00586	0.6
320.23126	1.1
494.42416	0.5
500.29581	0.5
505.66547	0.5
542.30463	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	542.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88213	3.0
61.98835	100.0
69.11227	20.9
74.67325	3.4
140.04314	3.0
148.27161	2.9
149.08969	3.3
182.78032	3.4
237.68610	3.8
263.20203	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	543.128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35213	2.4
57.03444	2.7
59.01385	15.3
64.67340	2.1
71.01377	7.9
71.39254	2.7
73.02974	2.4
74.99092	12.3
85.02965	29.3
89.02437	3.5
95.64179	2.4
96.96065	2.8
107.11111	2.3
111.00938	2.9
118.98098	100.0
120.03006	2.3
126.80177	2.6
129.01923	5.1
129.93813	2.8
130.08740	2.7
133.06592	3.9
135.04559	3.9
147.03014	3.3
147.04517	10.6
148.30412	2.5
149.06070	7.6
161.02429	3.5
175.04004	2.6
176.04710	4.0
177.05632	15.6
179.03474	4.3
191.02036	3.1
197.04453	3.8
212.08356	2.5
213.09181	2.6
225.09224	7.4
241.08701	5.8
243.10254	7.2
259.09772	49.3
261.11133	2.9
285.11273	3.9
319.09772	2.6
374.57941	2.9
381.13605	2.5
487.39459	2.6
543.15320	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	543.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32494	3.6
59.01385	55.3
61.98837	100.0
69.04654	7.7
69.05068	19.8
71.01391	15.2
73.02953	14.2
83.01392	4.4
85.02963	15.4
89.02453	6.6
96.93996	3.4
98.21961	8.7
101.02445	13.2
107.12392	3.8
113.02432	11.9
118.98096	9.3
119.03529	5.2
133.03017	4.5
134.03661	4.4
135.04539	8.7
147.04512	5.4
161.02461	13.1
161.04607	4.0
173.09323	7.0
179.03549	7.2
191.01802	4.5
193.05095	7.2
204.03416	4.5
241.08812	8.8
256.18936	3.9
258.08905	4.8
259.09763	6.3
417.41840	4.3
543.27734	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	543.1493
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
56.93208	5.0
59.01394	26.7
66.76462	4.7
69.29457	19.8
71.01378	18.1
85.02959	16.7
89.02452	24.0
92.42777	4.8
96.96001	6.3
98.22633	11.8
99.63454	4.7
101.02449	10.0
108.88751	4.3
113.02462	8.2
119.03522	11.5
135.04555	8.6
142.06583	5.4
151.16451	4.7
161.04596	4.8
165.05563	5.9
179.05611	19.4
217.17157	5.8
301.09128	7.7
328.99347	5.3
410.50394	6.0
543.14917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1488
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
51.18889	4.2
52.45127	3.3
59.01375	12.3
71.01388	11.1
71.39633	3.4
80.91683	8.1
82.95429	3.7
85.02956	15.0
89.02460	9.5
101.02451	7.5
108.05253	3.5
113.02435	4.8
116.15678	3.5
119.43633	3.1
121.02991	4.3
126.48944	3.6
143.03619	3.5
153.05455	3.8
153.69702	3.4
165.05579	9.3
179.05623	13.5
183.06638	9.4
197.04604	5.7
259.98694	3.4
450.82294	4.8
483.13861	10.6
507.17038	11.9
515.69739	3.9
543.14929	100.0
544.15033	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01385	5.7
61.98811	0.6
70.96216	0.6
71.01389	1.9
73.02940	1.2
74.99104	11.7
80.91695	0.6
82.95473	0.5
85.02959	5.2
87.00896	0.9
88.96617	0.4
89.02442	1.5
96.95992	0.5
101.02460	1.7
113.02462	0.8
118.06672	0.5
118.98096	100.0
119.03467	0.7
123.81223	0.5
135.04539	1.1
139.02234	0.8
140.13255	0.5
149.06131	0.6
161.02444	1.7
179.03522	0.9
179.05708	0.9
189.05620	0.5
196.02788	0.5
197.09712	1.5
225.09175	7.1
239.12849	0.6
243.10281	11.0
251.24828	0.6
261.11426	1.2
283.07727	0.5
308.84787	0.5
368.00934	0.7
423.16656	2.1
483.08954	0.6
483.22171	0.8
558.98602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51561	0.4
59.01376	1.6
64.42184	0.4
71.01389	0.8
73.02944	0.7
74.99104	11.5
75.89173	0.3
77.86556	0.4
85.02977	2.0
89.02466	0.7
99.00879	0.6
101.02453	0.4
111.00907	0.4
113.02454	0.5
116.92873	3.1
118.98100	100.0
119.36234	0.4
119.98452	0.8
126.90400	1.4
127.00140	0.4
128.03569	0.5
132.02174	1.4
134.03780	1.0
135.04529	0.7
135.08194	0.5
145.56813	0.4
149.06190	0.5
160.01663	5.1
161.02477	0.8
175.04015	8.9
177.05562	0.5
191.01889	0.4
193.05093	1.3
198.53940	0.3
205.07013	0.4
209.02780	0.6
220.08478	0.3
261.11279	0.6
261.32858	0.3
262.57562	0.4
336.86307	0.4
381.11621	0.4
415.01938	0.4
455.13876	1.2
499.09689	0.4
543.08429	0.7
543.16608	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	543.2089
Annotation	Dracunculifoside Q
Peak:m/z	Relative Intensity
55.01878	0.6
55.57670	0.2
57.03441	0.4
59.01383	9.0
61.98825	0.8
70.75748	0.5
71.01389	4.8
72.99297	0.5
73.02955	2.6
74.99094	0.4
76.81509	0.3
77.18296	0.2
77.39236	0.2
78.07153	0.2
83.01390	1.0
85.02960	3.9
87.00896	0.4
88.98854	0.3
89.02447	1.6
95.01389	0.3
99.00890	1.1
101.02456	4.9
103.03967	0.3
105.03461	0.7
107.05053	0.4
111.00932	0.2
113.02454	2.1
117.03486	1.4
118.98106	2.1
121.06632	0.4
123.04515	0.6
127.04054	0.4
129.01917	0.2
132.02208	1.7
133.02971	27.0
133.06552	0.5
134.03606	0.6
135.04541	5.3
143.03477	0.3
145.02957	0.3
147.02913	0.3
149.04564	0.3
159.02972	0.4
161.02457	100.0
162.02800	2.5
162.36990	0.3
163.04121	0.4
165.05510	0.4
174.09575	0.3
179.03531	2.4
189.67467	0.2
191.01927	0.4
191.05559	0.4
203.07233	0.3
227.07011	0.2
233.11853	0.4
235.11900	3.1
243.00275	0.2
354.39868	0.3
381.17834	2.0
543.20856	36.1
543.50262	1.1
543.83942	0.7
544.21307	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	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03456	0.3
59.01383	8.4
61.81916	0.2
61.98827	0.7
64.03589	0.2
70.80936	0.2
71.01386	4.7
72.99318	0.4
73.02950	2.5
74.99094	0.4
76.90865	0.2
77.03979	0.2
82.46134	0.2
83.01412	1.0
83.75950	0.2
85.02956	3.9
87.00903	0.4
89.02437	1.3
89.03966	0.3
95.01390	0.4
95.05041	0.2
96.96030	0.2
99.00858	1.3
101.02450	4.6
104.02695	0.2
105.03466	0.5
111.00904	0.4
113.02464	2.3
117.03491	1.2
118.98106	2.0
119.03532	0.3
121.06616	0.4
123.04542	0.5
125.02397	0.2
126.41089	0.2
129.01883	0.3
132.02170	1.6
133.02968	28.2
134.03706	0.7
135.04538	4.9
137.02490	0.2
143.03525	0.2
149.47580	0.2
151.04051	0.2
161.02455	100.0
162.02776	1.9
178.02762	0.2
179.03462	1.8
191.01984	0.4
233.12003	0.2
235.11867	3.2
250.28419	0.2
381.17645	2.1
543.20856	33.7
543.50208	0.7
543.68805	0.3
544.21259	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03444	2.5
59.01385	13.3
61.98828	1.7
62.32405	0.9
64.82667	0.9
69.03452	1.1
69.73363	0.9
69.73713	3.0
71.01388	3.7
71.05019	5.9
73.02947	1.4
74.88425	0.8
80.79253	0.8
83.01373	1.0
83.05058	1.5
85.02960	2.0
89.02456	1.5
95.05059	1.0
97.02942	5.5
97.06596	5.9
99.00887	33.4
101.02449	2.2
109.06588	1.9
110.03721	2.5
113.02430	1.7
119.03481	0.8
123.08210	2.3
125.09740	11.9
133.14960	0.9
135.08130	1.7
153.12883	1.5
155.14383	1.1
161.04552	1.0
163.11311	14.1
167.69870	1.0
181.12352	26.2
182.12598	1.1
197.11835	2.4
199.13411	16.8
207.10271	50.1
208.10715	1.2
209.11913	1.5
225.11337	83.4
226.11690	2.6
243.12373	73.7
244.12718	1.6
257.59698	0.9
273.02795	1.0
293.03293	0.9
299.14899	2.4
317.16046	41.2
318.16382	1.6
338.24216	1.4
396.89609	1.0
483.29858	1.6
516.34375	1.1
525.26996	4.1
543.28137	100.0
544.28552	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	543.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95697	5.6
59.01385	57.2
61.98823	23.7
64.61195	6.3
68.82464	6.3
69.37203	14.0
69.37605	18.1
69.54745	6.1
70.68044	6.6
75.00863	22.3
75.04321	6.4
78.95908	100.0
79.29847	6.2
84.69756	5.4
88.98833	8.7
89.29483	6.4
91.38566	5.7
96.96983	10.0
99.91316	6.9
103.00385	17.2
103.01496	44.0
103.04035	8.0
127.61607	6.0
135.55238	5.8
152.99593	74.1
173.74254	6.9
192.98840	16.9
209.93282	7.3
261.40482	6.7
321.67603	6.8
433.42743	6.6
441.74976	6.4
453.20197	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	544.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.5
60.01703	1.9
61.98837	100.0
71.01380	7.2
71.39520	1.7
73.02962	16.3
79.21307	1.7
83.01390	3.6
89.02452	2.6
96.96011	4.1
101.02460	12.1
113.02442	2.3
161.04546	3.5
164.64308	1.9
187.33395	2.0
244.12663	2.1
293.29144	1.8
294.09534	3.4
302.00134	2.9
318.79541	1.8
334.73206	1.8
544.29150	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	545.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85253	0.4
57.03440	0.5
59.01382	6.1
59.24911	0.4
66.41018	0.3
69.03466	1.0
71.01385	2.8
73.02981	0.5
83.01390	1.0
85.02963	5.6
89.02465	1.6
97.02953	0.7
99.00837	0.4
101.02427	0.7
105.03484	0.6
108.39326	0.4
109.03004	0.5
110.94131	3.2
111.00888	0.9
113.02462	0.9
115.00388	0.5
117.03461	1.4
119.03500	0.5
123.04529	0.5
129.01965	1.6
129.04202	0.8
132.02190	3.0
133.02977	25.3
134.03757	2.8
135.04539	29.7
141.01926	0.5
149.06084	1.9
153.09225	0.7
159.04492	0.5
160.01712	2.5
161.02458	100.0
162.02786	2.0
173.00920	0.6
175.04045	1.4
177.01936	0.9
177.05588	1.9
179.03511	52.7
180.03827	0.5
185.00986	0.5
193.05060	2.0
197.08163	0.8
203.03467	3.0
204.92348	2.7
221.04532	2.7
265.05084	1.2
281.06851	1.0
323.07654	1.5
341.08801	24.7
342.09125	0.8
365.08792	5.9
383.09872	33.5
384.10208	1.5
407.09885	0.5
425.11133	0.5
429.13794	0.6
455.11874	0.7
473.65140	0.5
485.13162	0.8
545.15137	12.0
546.15680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.7
57.03447	2.3
59.01387	15.2
60.48569	0.7
69.03464	77.1
70.03802	0.9
71.01022	1.2
71.01388	15.3
72.99303	2.5
73.02939	4.0
79.01900	3.2
83.01403	3.7
85.02956	15.0
87.00925	1.1
89.02442	6.8
95.01401	2.1
97.02961	15.6
99.00888	23.7
101.02446	11.8
109.05770	0.7
111.00900	2.3
112.62614	0.7
113.02468	6.8
115.00384	5.9
115.71359	0.6
119.03526	3.2
121.56738	0.7
123.00955	1.4
123.04488	0.7
128.03554	1.3
129.01974	4.1
133.01457	7.8
133.02963	2.4
134.03722	1.9
135.04547	4.6
141.01952	6.9
143.03592	1.0
143.04639	2.3
147.02939	1.2
149.58112	0.7
153.09222	3.4
161.02422	1.3
161.04532	2.0
161.13351	1.3
173.00978	1.2
177.01915	1.2
179.03488	5.1
179.05641	1.8
185.00926	62.3
193.05061	1.1
197.08205	8.8
205.12355	3.4
249.11343	2.5
329.16080	1.0
347.17133	100.0
348.17477	2.9
359.13562	3.6
423.08063	0.7
429.17615	4.8
532.92786	1.0
545.21149	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	545.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.7
57.03447	2.3
59.01387	15.2
60.48569	0.7
69.03464	77.1
70.03802	0.9
71.01022	1.2
71.01388	15.3
72.99303	2.5
73.02939	4.0
79.01900	3.2
83.01403	3.7
85.02956	15.0
87.00925	1.1
89.02442	6.8
95.01401	2.1
97.02961	15.6
99.00888	23.7
101.02446	11.8
109.05770	0.7
111.00900	2.3
112.62614	0.7
113.02468	6.8
115.00384	5.9
115.71359	0.6
119.03526	3.2
121.56738	0.7
123.00955	1.4
123.04488	0.7
128.03554	1.3
129.01974	4.1
133.01457	7.8
133.02963	2.4
134.03722	1.9
135.04547	4.6
141.01952	6.9
143.03592	1.0
143.04639	2.3
147.02939	1.2
149.58112	0.7
153.09222	3.4
161.02422	1.3
161.04532	2.0
161.13351	1.3
173.00978	1.2
177.01915	1.2
179.03488	5.1
179.05641	1.8
185.00926	62.3
193.05061	1.1
197.08205	8.8
205.12355	3.4
249.11343	2.5
329.16080	1.0
347.17133	100.0
348.17477	2.9
359.13562	3.6
423.08063	0.7
429.17615	4.8
532.92786	1.0
545.21149	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	545.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22180	2.0
71.01381	3.7
78.95908	100.0
83.27525	2.1
87.70425	2.6
90.50510	2.4
99.92593	34.8
100.93375	10.4
101.31612	2.0
110.98543	18.8
115.92084	13.9
116.92874	17.6
137.55205	2.4
142.24634	2.0
150.98015	3.5
151.01688	5.0
152.99585	4.0
154.94319	2.0
163.89760	7.6
164.90504	12.2
164.99561	6.3
167.01125	14.0
178.88426	19.0
179.89240	26.8
180.90022	24.1
181.90837	10.0
193.90791	55.6
194.91583	19.6
195.92381	3.0
196.89505	88.3
197.89511	2.8
210.91054	9.3
218.91466	2.3
235.92006	2.7
248.92648	5.7
249.93364	3.2
250.94240	10.5
266.93698	7.1
267.94543	5.5
275.20117	2.5
277.21683	7.1
281.39563	2.0
282.93167	2.2
346.60742	2.1
377.14331	2.9
458.07870	4.9
497.14114	2.9
527.15125	25.9
529.13373	2.5
541.12927	7.5
545.16150	72.1
546.16498	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	545.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.3
59.44486	4.2
63.17739	3.9
63.64053	4.3
66.23302	4.2
71.01393	9.3
78.87897	4.2
79.75539	4.5
85.02957	8.7
89.02448	24.3
98.22659	7.9
99.00878	7.9
101.02446	10.4
113.02465	10.2
119.03522	5.4
161.04575	6.5
179.05608	22.1
185.20872	4.3
310.47336	4.7
394.29385	4.3
448.59067	4.4
509.18744	44.9
545.16388	100.0
545.24188	8.1
556.94434	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	545.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01683	0.2
59.01380	2.7
61.58576	0.2
61.98827	0.6
68.30352	0.2
69.03461	4.4
71.01367	0.8
83.01423	0.2
84.02174	0.6
85.02956	1.0
89.43418	0.2
93.03484	1.2
95.05062	0.4
98.21874	0.5
99.00900	0.4
101.02453	0.6
108.02184	0.3
109.02966	2.7
111.00883	0.3
113.02428	0.3
116.92892	0.2
117.03434	0.3
119.05021	0.7
121.02962	8.6
122.03759	4.0
123.04538	7.6
129.02025	0.3
129.75746	0.2
131.05099	0.5
133.02937	0.7
133.06577	0.4
135.04558	1.8
137.02444	2.5
143.05022	1.0
145.02972	1.4
146.03731	0.4
147.04532	3.1
149.02431	1.1
158.03748	1.0
159.04552	1.8
160.05373	1.2
161.02458	0.6
161.06078	0.9
165.05591	0.9
171.04518	1.0
173.06087	1.0
175.04010	3.6
176.04799	22.3
177.05264	0.3
179.03345	0.2
183.04935	0.3
187.04013	0.4
189.05615	1.4
189.07089	0.2
191.07127	0.3
237.09315	0.3
247.07594	0.5
263.07108	1.6
264.07828	1.5
265.08670	1.5
275.07370	0.4
281.08023	0.3
291.06613	0.5
292.07367	1.0
293.08231	2.7
311.09317	3.5
323.09317	1.2
341.10309	100.0
342.10696	3.8
463.12686	0.2
509.20486	0.3
545.16602	0.8
545.25958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.7
69.53815	11.6
71.01386	63.7
85.02946	9.5
89.02447	56.2
90.15687	3.2
95.01430	3.6
99.04519	8.5
100.07435	2.7
101.02451	22.5
113.02471	14.2
115.00389	27.5
119.03494	21.2
119.53049	2.8
120.03841	3.4
133.01439	9.7
143.03447	3.9
149.97754	3.2
161.13356	29.0
179.05615	15.0
182.82498	3.8
205.12366	51.6
249.08887	5.3
249.11336	68.1
249.13922	4.0
429.17578	100.0
446.55270	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	545.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22364	1.7
59.01383	100.0
63.25375	1.9
69.87024	3.8
69.87350	4.0
71.01387	79.0
72.99303	4.1
74.49928	1.8
75.32184	1.8
83.01404	3.6
85.02953	8.1
87.00870	3.6
89.02457	73.6
89.92120	2.0
95.01379	3.5
98.22708	2.4
99.04568	4.8
101.02451	23.8
113.02463	23.5
115.00386	61.0
119.03512	37.0
120.99655	8.5
131.03497	2.9
133.01456	96.3
143.03484	9.9
149.04575	4.5
150.06873	2.4
161.04521	10.8
161.13391	23.4
179.05623	27.2
205.10478	4.1
205.12343	59.2
249.11337	65.1
263.71979	2.5
385.18555	14.5
429.17661	65.2
430.18295	4.8
457.15430	2.2
521.52490	2.3
545.18689	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	86.8
63.07457	2.9
66.67678	2.9
69.62189	12.4
71.01384	53.4
72.99313	2.7
77.57030	3.0
85.02929	6.3
89.02451	45.1
92.29101	3.2
99.04504	5.8
101.02471	20.6
113.02457	18.0
115.00366	21.9
119.03522	27.7
133.01427	10.6
143.03593	4.2
155.27359	3.6
161.04585	4.2
161.13371	23.6
179.05621	13.5
205.12332	46.4
242.16359	4.0
242.42865	3.4
249.11324	54.8
385.18677	4.4
429.17633	100.0
529.81439	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.4
57.03448	5.6
59.01383	71.5
69.03440	3.0
69.15015	6.9
69.15427	3.2
71.01387	77.7
72.99318	1.8
73.02953	34.9
75.00906	2.0
81.03464	3.1
83.01392	15.3
85.02955	51.3
86.00028	1.4
87.00886	5.6
89.02449	24.0
95.01392	6.9
97.02966	4.2
99.00887	10.8
101.02453	64.2
104.13498	1.6
111.00940	3.0
113.02458	45.9
115.00392	1.6
119.03510	4.9
119.05040	10.3
125.02444	5.5
129.01936	6.1
131.03542	6.2
133.01404	1.7
133.02917	1.7
135.04543	4.6
137.06091	5.9
143.03503	7.1
143.04543	1.7
149.04564	2.8
159.02986	4.4
160.01576	2.2
161.02440	4.4
161.04556	35.5
167.03491	1.9
175.03897	2.4
179.03487	3.5
179.05615	4.3
191.01939	1.7
203.05615	3.7
203.09164	2.0
221.06616	7.7
263.07663	4.6
272.09128	2.0
281.10385	5.0
341.12396	4.5
353.16058	71.4
354.16281	2.5
384.91010	1.5
395.11899	2.0
443.15646	12.3
461.16562	5.4
485.20554	100.0
486.20743	5.0
503.17789	30.5
521.25720	1.8
551.85907	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	545.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07881	0.6
55.01885	2.9
57.03452	4.5
58.76690	0.6
59.01385	100.0
61.98842	1.2
69.03469	0.7
69.29761	3.2
71.01391	32.4
72.99324	1.9
73.02956	15.9
75.00890	0.8
82.95396	0.7
83.01392	4.9
83.05025	0.7
84.95154	2.1
85.02958	16.4
87.00906	2.7
88.98826	0.8
89.02459	15.4
89.02955	1.1
95.01409	2.9
97.02987	1.7
99.00896	10.8
101.02454	26.1
111.00906	1.8
112.01675	0.8
113.02463	15.7
115.00392	0.7
118.98129	1.9
119.03498	4.4
120.99667	13.8
121.42110	0.7
125.02468	2.4
126.05647	0.8
128.03555	0.8
129.01968	1.1
131.03545	2.1
133.02934	0.8
133.06583	0.8
135.04576	1.5
137.09766	1.1
143.03529	2.2
147.04521	1.5
149.04572	1.1
149.09669	0.7
159.03008	2.5
161.02448	1.9
161.04576	8.6
161.05923	1.1
173.06122	2.1
179.05621	0.8
191.01999	0.8
191.05664	1.9
197.09767	1.7
205.03726	0.6
205.05984	0.6
209.15495	9.5
215.10822	3.7
243.10258	3.0
253.14439	0.8
261.15146	0.7
269.11917	1.0
305.17722	2.8
353.19727	6.9
371.20773	20.1
413.21838	6.7
423.16605	10.9
483.27496	2.5
485.24149	3.2
503.25027	45.2
504.25671	3.2
526.86627	0.7
527.16162	2.1
545.26123	60.1
546.26233	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	545.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03456	3.6
59.01384	100.0
65.97958	0.6
69.03474	1.0
69.16787	2.3
69.17201	1.2
71.01388	45.7
72.99337	1.1
73.02953	30.5
81.03459	1.1
83.01408	3.6
85.02956	16.4
87.00883	2.2
89.02451	44.3
95.01404	3.1
96.96012	3.3
97.02970	1.9
98.21884	1.3
99.00890	97.1
100.01234	0.9
101.02451	22.6
111.00854	0.8
113.02457	20.2
115.00388	1.3
119.03529	5.6
125.02464	7.0
129.01979	1.8
131.03517	13.0
133.01422	1.7
133.02992	1.1
134.03824	0.8
135.04610	0.9
143.03520	4.4
143.04453	0.7
149.04568	42.4
155.03532	4.3
159.03004	1.4
161.02507	1.6
161.04555	12.9
179.03598	0.9
179.05608	1.4
191.05624	48.6
192.05980	0.9
202.26270	0.6
203.05635	21.0
205.12422	1.6
233.06734	8.3
249.11365	2.1
293.08838	0.8
335.09915	2.5
371.20682	1.6
399.13315	1.2
429.17551	2.0
444.71362	0.8
503.25082	10.6
545.26141	26.8
546.26337	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13056	0.8
52.01401	1.0
57.03451	1.6
58.91714	0.8
59.01384	16.6
69.03458	2.0
70.28045	1.4
71.01382	9.0
72.99332	1.2
73.02956	2.0
82.66216	0.9
83.01374	1.0
85.02959	3.2
87.00861	1.7
89.02450	10.4
94.02123	0.9
95.01417	1.1
97.02964	5.3
101.02440	11.4
102.13105	0.9
111.08169	14.6
113.02481	5.9
119.03515	3.2
130.72232	0.9
137.09724	1.2
153.12906	1.2
161.04579	4.5
163.11331	1.9
165.12856	3.9
169.12399	5.7
171.10303	3.1
179.05634	2.0
181.12421	1.8
181.69740	1.1
183.13936	1.2
193.15994	0.9
197.11836	56.0
198.12195	1.1
199.13438	4.8
209.11815	2.1
211.13461	6.9
227.12923	3.2
247.20656	2.4
253.09288	45.6
263.20181	3.4
265.18192	1.9
273.18591	2.4
291.19662	39.3
309.20731	100.0
310.21063	4.6
318.67667	0.9
332.76752	0.9
347.86438	1.0
545.29120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75251	11.8
59.01378	31.9
69.99162	19.3
69.99491	16.6
75.00897	13.3
78.95921	100.0
98.21978	12.1
103.01508	11.1
104.72581	11.7
116.92863	13.2
148.68463	10.4
152.99615	33.7
179.89207	31.4
180.90031	12.2
192.69807	11.6
193.90787	27.1
194.91719	15.8
196.89572	26.9
215.59306	10.4
250.94090	12.9
443.32547	13.5
445.79315	12.5
545.16187	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	546.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57426	1.1
59.01385	24.0
61.98835	100.0
70.77286	2.1
71.01393	5.4
73.02948	11.6
73.48698	1.3
83.01380	2.9
84.55654	1.3
84.90551	1.4
89.02438	1.8
93.69525	1.4
96.01819	1.3
99.71452	1.4
99.92555	1.9
101.02458	7.7
113.02435	4.3
116.92883	1.5
124.95045	1.5
131.03474	1.6
139.96300	1.2
149.04599	1.6
158.30544	1.3
161.04584	3.2
202.77582	1.3
283.74683	1.4
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
59.01385	30.4
61.98836	100.0
69.17229	4.6
71.01400	4.6
73.02959	1.7
85.02961	1.8
98.21880	1.2
101.02441	3.9
113.02493	2.1
161.04616	2.0
172.10168	0.9
379.21219	1.0
397.22284	7.4
439.23416	7.0
543.01678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45460	0.9
55.01873	2.7
57.03451	16.1
59.01382	9.3
60.17020	0.9
69.03469	8.4
70.67268	1.8
71.01381	4.1
72.99323	1.1
73.02937	1.6
75.00853	1.1
76.02041	1.0
83.01384	3.6
85.02956	100.0
86.03239	1.1
87.00889	1.4
89.02472	1.3
93.91676	0.9
97.02953	1.7
99.00867	2.5
103.00372	1.4
111.00902	6.0
115.00391	1.3
120.69739	0.9
120.97223	0.9
129.01953	11.5
133.01401	1.1
133.03006	1.3
134.03741	5.3
135.04521	3.7
147.01981	1.4
147.03017	14.7
149.06046	1.0
157.94138	0.9
160.01692	1.3
161.02426	2.5
173.00969	4.6
179.03488	2.3
185.00926	9.8
191.01990	58.0
193.05064	2.8
199.09808	3.1
209.01236	1.4
209.03036	16.5
231.03111	0.9
340.53436	1.1
367.06744	1.2
385.07706	10.9
387.16479	1.4
394.71829	1.0
547.17261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75918	0.6
55.01872	2.9
57.03454	11.9
59.01385	22.2
60.01715	0.8
61.01793	0.9
68.99796	0.6
71.01385	13.5
72.01720	1.6
72.99313	1.4
75.00880	1.0
83.01392	2.2
83.59142	0.7
84.02169	1.6
85.02959	100.0
86.03303	0.8
87.00880	1.8
89.02452	9.8
90.02805	1.3
95.01402	0.8
98.21912	2.0
99.04544	1.4
100.66265	0.7
101.02460	4.0
102.02787	0.9
103.00378	1.9
111.00909	4.4
113.02470	2.8
115.00391	8.0
116.00737	1.3
117.22125	0.7
119.03513	3.7
121.03896	0.8
129.01962	10.5
133.01448	8.6
133.02989	1.8
134.01758	1.7
134.03787	3.9
135.01888	1.1
135.04538	2.1
137.02467	0.7
147.03015	15.7
161.02480	4.3
161.04570	0.8
161.13374	1.3
162.13745	2.0
173.00925	3.0
179.03629	3.6
179.05615	2.7
180.06033	0.6
183.10272	0.8
183.56081	0.7
191.01997	55.1
193.05049	3.2
203.16132	0.7
205.12358	4.3
206.12677	2.8
207.12976	1.4
209.03021	12.1
227.86131	0.8
249.11394	4.8
250.11639	3.6
251.11856	2.7
367.06699	1.9
385.07788	15.0
429.17581	1.8
430.18073	3.5
431.18283	7.4
445.78433	0.7
512.60864	0.8
547.19122	0.8
561.73999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77325	1.1
57.03457	14.4
59.01388	9.5
61.98824	3.1
65.00330	2.1
65.35490	1.1
71.01380	3.2
72.99319	10.4
73.02956	1.2
73.56773	1.0
83.01395	32.3
85.02958	17.3
97.02934	1.4
99.00909	2.4
109.03004	1.5
109.86457	1.1
111.00878	3.2
116.92867	5.7
117.03445	1.3
121.02967	5.5
123.00901	1.4
125.02457	1.2
129.01956	100.0
132.02191	3.9
133.93698	1.2
134.03751	23.2
135.04543	2.6
137.02469	1.6
142.40475	1.2
149.06131	6.7
153.05597	2.1
154.99873	18.5
160.01686	17.1
161.02464	5.8
162.03238	2.4
173.00925	75.7
173.06088	2.1
175.04042	19.8
177.84746	1.1
179.03639	1.2
182.02223	2.3
188.04788	1.6
189.05542	2.2
191.01929	1.4
193.05045	7.3
195.37589	1.2
197.04587	3.4
200.04774	2.4
209.02988	1.8
214.58592	1.2
215.07190	1.7
217.05125	1.8
217.08664	1.8
218.05856	6.2
231.06654	3.4
233.08194	12.0
243.06598	1.7
259.06204	2.5
261.07684	10.6
287.05624	1.5
305.06503	1.3
343.15274	1.7
349.05762	3.7
370.52930	1.2
374.89771	1.5
431.20813	1.3
463.43954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.2
62.83583	5.3
67.76295	5.6
69.50298	21.5
71.01381	26.2
71.02186	6.1
73.02930	9.1
73.77164	4.3
85.02951	14.6
88.91344	4.8
89.02448	14.6
98.21926	5.8
101.02444	21.2
104.97797	4.4
112.65202	5.0
113.02455	11.1
119.03483	7.3
119.05013	8.3
131.03534	6.3
133.02997	24.0
135.04576	7.9
161.02472	100.0
161.04510	7.5
179.03450	7.7
179.05588	7.9
221.06758	12.0
281.10406	5.9
285.99997	4.8
336.07880	5.2
341.12396	5.0
369.96426	5.3
434.67719	5.1
439.81738	6.0
461.16858	10.2
503.17480	14.7
529.15497	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03453	11.0
59.01387	55.5
71.01390	35.6
71.38473	1.6
72.99300	2.0
73.02955	18.7
75.00871	3.6
82.95428	7.8
83.01386	7.6
84.02180	1.9
85.02956	85.1
86.03330	1.2
87.00885	2.5
89.02457	12.1
94.98089	1.4
95.01382	1.8
96.96033	13.3
99.00861	1.5
101.02457	18.4
108.34011	1.1
111.00888	5.3
113.02445	7.1
115.00383	17.9
119.03497	4.1
121.10268	2.2
129.01958	14.9
131.03522	1.9
133.01413	5.4
133.02937	2.1
134.03769	3.7
135.04523	4.6
136.01686	2.9
147.03006	10.5
151.04099	1.9
161.02451	4.0
161.04523	2.4
165.09209	8.2
173.00932	4.8
179.03499	3.4
179.05557	1.5
183.10262	1.3
191.01994	41.1
193.05101	3.4
205.12334	1.7
209.03069	18.1
222.20819	1.1
250.11615	1.2
251.11998	1.2
301.16742	2.1
304.41904	1.1
327.14496	3.5
343.11951	2.7
345.15533	10.4
349.18750	1.8
385.07693	10.0
387.16632	100.0
388.17035	3.8
427.12650	1.8
431.18469	2.8
487.15024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	1.5
57.03447	1.8
59.01386	20.1
69.27561	6.9
71.01383	10.8
73.02948	4.5
85.02960	7.3
87.00886	2.2
89.02441	6.4
93.99071	1.1
101.02454	8.4
113.02464	9.3
119.03500	2.4
119.05032	1.6
128.20877	1.4
131.03474	2.7
132.02216	2.0
133.02966	29.9
135.04536	5.5
137.33286	1.1
140.18150	1.3
161.02460	100.0
161.04602	4.2
162.02824	2.7
173.04559	1.3
179.03543	3.1
221.06699	3.7
284.60995	1.2
367.12677	2.6
443.15768	4.5
461.16556	11.7
503.17621	2.0
529.15631	34.7
530.15997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03453	11.0
59.01387	55.5
71.01390	35.6
71.38473	1.6
72.99300	2.0
73.02955	18.7
75.00871	3.6
82.95428	7.8
83.01386	7.6
84.02180	1.9
85.02956	85.1
86.03330	1.2
87.00885	2.5
89.02457	12.1
94.98089	1.4
95.01382	1.8
96.96033	13.3
99.00861	1.5
101.02457	18.4
108.34011	1.1
111.00888	5.3
113.02445	7.1
115.00383	17.9
119.03497	4.1
121.10268	2.2
129.01958	14.9
131.03522	1.9
133.01413	5.4
133.02937	2.1
134.03769	3.7
135.04523	4.6
136.01686	2.9
147.03006	10.5
151.04099	1.9
161.02451	4.0
161.04523	2.4
165.09209	8.2
173.00932	4.8
179.03499	3.4
179.05557	1.5
183.10262	1.3
191.01994	41.1
193.05101	3.4
205.12334	1.7
209.03069	18.1
222.20819	1.1
250.11615	1.2
251.11998	1.2
301.16742	2.1
304.41904	1.1
327.14496	3.5
343.11951	2.7
345.15533	10.4
349.18750	1.8
385.07693	10.0
387.16632	100.0
388.17035	3.8
427.12650	1.8
431.18469	2.8
487.15024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
58.00592	0.8
59.01384	48.2
69.31173	2.4
69.31557	1.6
71.01388	33.6
72.99303	2.1
73.02940	1.4
83.01424	1.4
85.02961	12.5
89.02448	19.6
95.01385	1.3
96.96018	1.8
98.22665	1.8
99.04530	26.7
101.02446	9.8
107.08709	1.1
113.02447	7.4
115.00386	26.3
119.03526	5.9
121.06632	1.5
129.01970	1.6
133.01447	26.6
133.02505	1.3
133.02943	1.9
135.04536	3.0
143.03531	1.2
147.03024	1.5
161.02443	2.9
179.05627	1.9
185.11833	3.5
189.12859	5.1
191.01955	5.9
207.13910	34.5
209.03035	3.2
233.11717	1.2
251.12898	77.3
252.13228	2.5
269.14014	2.5
323.07791	1.6
325.70270	1.1
385.08182	0.8
401.32114	1.0
405.27954	1.1
413.38718	0.9
431.19247	100.0
432.19742	4.0
485.29132	2.0
547.20648	1.3
547.28625	16.9
548.28516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.00608	0.9
59.01385	40.7
69.88699	1.8
71.01387	28.5
72.99294	1.1
73.02968	1.4
75.00906	0.7
83.01385	1.6
85.02955	17.7
87.00880	1.5
87.39537	0.7
89.02451	17.5
95.01401	1.0
96.96008	0.6
99.04522	21.7
101.02443	9.0
107.08700	0.7
111.00928	0.7
111.04523	0.7
113.02455	6.1
113.86359	0.7
115.00386	22.3
119.03510	5.3
121.02934	0.8
121.06592	0.7
129.01955	2.4
133.01445	24.6
133.03004	2.3
134.03694	1.2
135.04536	2.1
147.03003	1.8
161.02473	4.6
179.03540	1.6
179.05608	1.9
184.55556	0.6
185.11832	2.7
189.12842	4.8
191.01987	6.9
205.12367	0.7
207.13910	31.3
209.03040	6.0
219.63554	0.6
233.11885	1.1
251.12898	66.2
252.13287	2.0
269.13870	1.7
323.07800	1.2
331.97079	0.8
385.07639	1.8
431.19241	100.0
432.19684	3.8
538.04645	0.7
547.21057	1.0
547.28400	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	547.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19567	9.5
52.17285	10.8
59.01389	100.0
61.98852	50.3
69.10828	71.4
71.01402	16.4
73.02944	13.9
85.02973	25.2
98.22655	16.4
98.88898	9.8
101.02481	17.9
112.37476	10.4
113.02460	14.9
115.25546	9.1
130.97636	11.2
135.04457	11.1
161.02460	16.7
172.28206	10.1
232.35634	10.1
240.07870	20.8
249.46619	10.5
274.20844	9.8
297.07703	14.7
312.26004	10.0
312.29913	13.0
467.52994	11.0
501.14172	21.9
547.22955	43.3
547.29413	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	547.292
Annotation	20-Hydroxyganoderic acid G
Peak:m/z	Relative Intensity
59.01394	0.9
60.99317	0.4
70.16028	0.6
70.16397	0.6
71.01405	0.3
73.02968	0.6
73.20715	0.3
75.00875	7.0
75.01263	0.5
85.02972	2.1
90.12530	0.3
92.39127	0.3
96.07472	0.4
101.02501	0.5
113.02466	0.9
120.52794	0.3
127.01935	0.3
135.03032	0.9
191.02121	0.4
219.31795	0.3
300.08075	0.3
307.20657	0.7
323.23828	0.8
373.23828	0.4
381.24463	1.0
386.58350	0.3
393.24460	0.9
399.25446	0.8
405.28137	3.3
409.27515	7.4
410.27823	0.5
421.27530	0.8
423.29172	1.8
427.28226	0.6
439.28732	2.6
441.30301	0.9
449.26941	0.7
455.28152	0.4
456.19128	0.3
467.28021	20.2
468.28455	1.3
483.27692	0.4
485.29132	87.4
486.29523	6.7
503.30191	7.0
504.30545	0.8
547.29169	100.0
548.29510	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	547.292
Annotation	20-Hydroxyganoderic acid G
Peak:m/z	Relative Intensity
50.03848	0.5
57.03460	1.7
59.01386	4.0
60.99305	0.6
61.98838	1.5
62.20861	0.5
62.70334	0.5
69.03474	0.5
71.01392	1.1
73.02966	0.9
78.95931	2.2
83.01397	1.1
83.05043	2.7
85.02959	7.0
87.00892	0.6
88.98827	0.5
89.02493	0.8
91.20618	0.5
96.96014	2.4
96.96980	2.4
99.00921	0.6
99.92593	2.5
100.93395	0.9
101.02465	1.3
111.00900	0.8
113.02520	1.2
115.16317	0.5
116.92882	1.2
121.02972	1.8
123.08222	0.7
129.01990	2.1
133.02991	1.4
134.03737	1.3
135.04565	2.3
147.02965	0.5
149.06053	0.5
154.99892	0.8
159.02945	0.6
160.01707	1.9
161.02463	5.2
173.00955	2.2
175.04080	2.6
177.89413	0.5
179.03548	2.1
191.02034	2.5
191.14441	1.3
197.04593	1.7
231.13928	1.0
260.46750	0.6
261.07651	0.8
266.03442	1.0
287.05978	0.6
304.53632	0.5
381.24243	1.0
399.25516	0.7
405.27893	1.2
421.27539	1.9
423.29199	4.6
431.22272	0.7
439.28839	2.9
441.30151	1.7
467.22699	0.5
467.28439	4.0
468.28369	1.0
485.29135	98.3
486.29428	7.1
487.18243	2.0
501.28818	1.0
503.30032	7.0
504.30438	0.9
530.15063	1.3
544.12683	1.1
547.29181	100.0
548.15961	1.4
548.29626	7.9
566.83502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2917
Annotation	Paliurine E
Peak:m/z	Relative Intensity
58.78862	0.3
59.01385	1.0
60.99294	0.4
69.34644	1.0
71.01353	0.5
75.00907	0.3
85.02945	0.9
98.22666	0.4
101.02450	0.3
113.02465	0.4
141.87280	0.2
160.25046	0.2
164.07162	0.2
190.69138	0.2
251.12839	0.5
304.00229	0.2
346.37500	0.2
357.59378	0.3
362.46533	0.2
375.27118	0.3
389.24857	0.6
405.28015	10.1
406.28323	0.7
409.27618	0.3
423.29074	7.6
424.29245	0.5
431.19324	0.7
439.28732	0.5
441.30310	0.4
467.28003	1.5
485.29144	14.0
486.29477	1.3
503.30618	1.2
547.29163	100.0
548.29517	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	547.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01383	1.7
60.99307	0.3
61.98830	2.1
63.92009	0.2
69.03437	0.3
71.01387	0.4
71.05037	0.3
73.02941	0.4
83.05050	0.3
85.02953	1.2
89.02539	0.2
96.95987	0.5
96.96976	0.2
100.03627	0.2
100.67529	0.2
101.02444	0.4
103.33520	0.2
103.37523	0.2
106.97163	0.2
111.58051	0.2
113.02454	0.4
123.08200	0.3
161.02420	0.3
178.31917	0.3
184.57475	0.2
197.80829	0.2
411.28900	0.5
423.29141	1.0
441.30078	5.5
442.30469	0.4
459.31168	0.3
467.28140	0.5
485.29080	3.1
486.29169	0.3
503.30475	0.6
547.29163	100.0
548.29529	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	547.2919
Annotation	Paliurine E
Peak:m/z	Relative Intensity
54.06939	0.2
59.01385	1.3
61.98833	1.4
69.01580	1.0
69.01985	0.4
69.03432	0.2
71.01381	0.4
71.05042	0.2
73.02942	0.3
83.05038	0.3
85.02969	0.7
88.63319	0.2
89.02437	0.2
98.21810	0.3
101.02441	0.3
113.02457	0.6
161.02461	0.3
166.73210	0.2
179.03564	0.2
204.38496	0.2
249.95074	0.2
341.39581	0.2
342.12317	0.2
358.43564	0.2
376.92163	0.2
405.28012	0.2
411.29144	0.4
423.28876	0.9
439.28253	0.3
441.30103	5.1
442.30618	0.4
457.29285	0.2
459.31171	0.3
467.27899	0.4
485.29196	3.1
486.29791	0.2
503.30103	0.5
538.47241	0.2
547.29163	100.0
548.29492	7.8
548.38007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06998	0.2
59.01390	0.7
61.98835	100.0
85.02948	0.5
126.90424	0.9
134.12299	0.3
139.76978	0.3
161.02458	0.4
185.12003	0.3
341.10831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40857	0.3
59.01374	0.3
61.98835	100.0
63.76432	0.2
78.84927	0.2
83.01424	0.3
85.02967	0.6
86.84990	0.3
90.82078	0.2
96.41048	0.3
96.43808	0.2
100.98579	0.3
102.34698	0.3
104.57627	0.2
129.01955	0.5
135.04532	0.3
139.28722	0.2
142.04126	0.2
173.00972	0.4
472.45825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34140	1.4
54.07819	1.2
59.01381	27.2
59.97021	1.3
61.98832	100.0
64.02536	1.3
69.59451	1.3
71.01385	5.1
71.40799	1.3
73.46772	1.3
80.55611	1.2
85.02967	3.0
86.99020	1.4
101.02444	1.8
102.67905	1.4
108.40012	1.2
109.92555	1.3
128.29761	1.4
130.16350	1.5
149.74585	1.5
172.39551	1.4
177.58148	1.3
200.24820	1.3
223.83536	1.4
272.63156	1.4
283.10846	1.9
344.05167	1.4
494.87448	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	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.5
59.01382	27.9
60.80266	0.7
61.98835	100.0
69.37951	4.2
71.01396	2.5
71.37463	0.8
73.02943	3.7
83.01377	1.4
83.15930	0.8
85.02973	2.2
89.02473	1.3
101.02440	3.8
113.02457	1.0
119.02475	1.0
122.00894	0.9
129.01938	2.5
159.77017	0.8
161.04588	1.5
164.21321	0.9
170.40584	0.7
173.00822	1.2
246.90120	1.0
277.06458	0.8
314.95108	1.0
489.34290	1.5
548.30249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36409	3.8
59.01383	16.2
59.38432	4.0
63.17498	3.6
69.33643	13.3
71.01394	9.8
72.99306	45.1
74.99394	6.7
85.02958	32.3
98.99393	8.0
99.00887	4.8
101.00957	24.7
108.03817	4.8
111.02048	6.3
113.00970	29.9
114.98876	27.9
117.00458	9.5
121.02983	7.5
123.03049	13.2
125.00957	100.0
126.98900	8.7
129.00374	4.4
129.01984	16.1
133.02954	10.6
134.03754	17.4
141.00459	29.9
147.02953	5.3
147.04459	4.6
154.43094	4.1
154.98396	4.9
156.98450	15.6
156.99942	52.3
167.02013	63.3
168.99925	45.6
173.00920	6.2
175.02487	21.3
180.98480	14.9
183.00018	12.2
187.01031	8.9
187.60796	4.2
187.99583	4.4
190.01207	23.4
193.05057	9.0
197.04555	8.1
198.99504	13.0
203.01926	6.6
206.99916	6.4
208.97928	35.4
212.99036	8.3
213.01039	7.2
213.04045	5.5
215.02087	6.6
216.02812	10.1
217.03587	5.9
219.01509	6.4
222.99513	32.2
225.01109	18.7
226.99020	5.1
234.00291	13.9
241.00562	6.3
241.03568	4.4
242.04408	12.3
250.99010	52.4
254.99925	6.3
257.06708	10.6
260.01663	8.1
267.02194	28.0
269.00104	10.6
275.04129	8.4
276.97217	4.4
283.01794	5.7
286.03522	8.1
290.01297	8.1
291.03693	15.8
294.97891	7.4
298.01849	5.7
299.99826	9.0
301.00415	13.6
301.05682	40.7
311.01224	29.0
312.98901	4.6
319.01645	8.0
326.01343	10.3
329.02609	8.7
331.00116	4.8
341.03589	9.8
342.00818	14.1
343.00897	4.6
343.98581	4.9
344.02411	12.1
355.00092	21.2
357.03238	29.2
358.03360	5.3
359.04666	9.2
360.01822	11.5
368.02310	9.8
370.00388	5.9
375.04269	7.7
383.04919	4.9
385.02750	56.4
401.05820	97.7
402.06024	12.5
403.04153	10.6
417.05212	47.5
429.01654	5.8
443.06848	33.1
445.04807	67.6
446.05096	11.4
447.02347	5.2
459.06702	4.7
463.05725	40.2
489.03848	51.3
507.05115	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	549.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87720	1.1
55.01868	4.4
57.03183	1.1
57.03454	17.9
59.01376	7.9
63.63940	1.0
69.27898	2.7
69.28304	4.6
71.01039	1.2
71.01387	6.3
72.99319	1.1
73.02948	3.4
77.03985	1.3
78.01115	1.5
83.01398	9.8
84.02172	1.7
85.02959	100.0
86.03297	1.3
89.00324	1.1
89.02464	1.7
95.05064	1.9
101.02456	3.0
105.03463	6.1
109.02973	4.2
111.00894	16.3
113.02460	2.4
115.14296	1.2
117.03501	1.6
121.02961	18.4
123.00912	3.1
123.04536	2.1
129.01959	38.5
133.01465	1.3
133.02972	29.2
134.03741	4.7
135.04529	5.2
136.11105	1.2
137.02460	7.5
138.03249	2.9
147.03011	7.1
147.04506	3.6
149.06110	1.5
153.05614	10.0
155.03479	2.2
161.02478	3.2
173.00935	16.3
173.06032	1.5
175.03978	1.9
177.01927	10.8
179.03497	2.9
181.01405	8.3
182.02150	2.0
191.01976	6.6
193.05058	5.5
196.89159	1.2
197.04575	26.0
201.05566	1.7
209.03096	1.8
211.06091	1.3
222.05331	1.7
236.69095	1.0
265.07196	3.6
307.04526	1.9
327.07260	6.8
339.05038	2.1
345.15622	1.5
371.06015	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03448	14.7
59.01385	26.8
62.32461	1.0
65.86698	1.0
68.99802	2.0
69.46396	5.0
71.01385	18.8
72.99324	2.4
73.02952	4.8
75.00874	5.1
83.01389	6.5
85.02958	100.0
87.00901	2.0
89.02462	7.7
94.17995	1.1
95.05001	1.2
96.53524	1.0
99.00903	2.0
101.02466	8.9
105.03484	2.3
108.99424	1.1
109.02953	10.2
111.00893	15.3
113.02460	9.1
115.00368	2.5
119.03512	2.3
119.05049	2.2
121.02962	10.2
122.00165	1.1
123.04520	3.1
129.01961	32.2
129.03496	4.3
130.04137	1.2
133.01437	2.4
133.02962	13.7
134.03690	1.1
135.04546	3.2
137.02448	4.1
138.03204	1.5
143.03511	1.0
145.02902	1.8
146.03767	3.1
147.03009	11.3
147.04523	38.9
149.02444	1.1
153.05586	6.8
155.03519	1.4
158.03767	1.7
159.04539	7.6
161.02486	1.9
161.04524	4.1
162.84731	1.1
173.00952	9.9
175.04034	1.8
177.01929	7.0
179.05701	1.6
181.01414	3.4
182.02292	1.3
185.00891	1.3
189.12868	1.7
191.01991	44.4
192.02229	1.4
193.02495	1.1
197.04561	17.3
209.03069	19.1
210.03427	1.5
213.22925	1.0
229.01437	6.8
249.05603	1.3
265.07224	3.4
267.06674	3.6
269.08243	11.1
277.04990	3.3
293.04663	1.9
294.05295	1.2
295.06091	5.4
313.07190	8.8
327.07117	3.1
339.01312	2.1
339.05124	27.4
357.05984	1.5
368.70554	1.3
371.06024	1.7
521.70197	1.4
549.08636	4.2
549.21307	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	549.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.5
57.03452	20.5
59.01373	3.9
65.00325	1.4
69.03465	2.6
70.69917	3.0
71.01383	5.4
73.02964	1.4
81.03471	1.6
83.01377	6.4
85.02960	100.0
87.00886	1.5
89.00351	1.7
93.03468	2.2
95.05058	2.0
101.02464	3.2
105.03457	5.7
106.00613	1.4
109.02961	5.6
111.00913	14.7
121.02971	22.2
123.04553	1.7
129.01958	49.5
129.03448	2.1
133.02974	21.6
134.03767	3.2
135.04518	5.4
136.46091	1.2
137.02440	10.5
138.03210	1.8
147.03030	8.9
147.04556	9.5
150.99458	1.4
153.05586	14.1
155.03479	2.3
159.04585	1.9
160.01701	2.9
161.02448	3.0
173.00931	14.9
173.06128	1.4
175.03983	3.1
177.01945	8.4
179.03566	1.4
181.01427	11.4
182.02202	3.3
189.05592	2.3
191.02007	8.5
193.05133	2.5
197.04568	36.3
209.02988	1.7
241.72784	1.4
265.07202	3.3
307.04529	1.3
313.07358	1.8
323.07867	1.6
327.07172	4.5
339.04977	1.6
371.06058	4.0
489.83926	1.3
549.21881	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	549.0888
Annotation	6-Hydroxyluteolin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03454	3.0
59.01384	8.8
61.56578	2.4
69.18882	7.2
69.19269	5.1
71.01392	9.6
83.01398	3.6
85.02960	31.6
86.89288	2.2
89.02393	2.8
97.18480	2.1
101.02422	2.8
107.01437	2.8
111.00902	6.1
115.00401	2.5
120.20402	2.3
121.02965	4.7
129.01939	11.4
131.84993	2.2
133.02965	3.5
137.02475	2.7
147.03040	3.5
151.00401	9.0
151.37526	2.4
159.12492	2.0
161.02380	2.9
173.00903	4.6
178.99860	4.9
191.01953	3.2
197.04558	7.2
227.03592	2.9
243.02954	8.9
255.02979	29.8
271.02490	62.7
272.03088	3.2
273.04150	2.3
287.72043	2.8
300.02762	100.0
301.03555	44.2
302.03851	3.0
347.17337	2.8
389.18231	19.2
463.09055	5.6
505.09924	84.1
506.10101	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47038	0.3
73.34872	0.4
77.03986	2.0
81.59180	0.3
83.34005	0.3
98.22772	0.8
100.03516	0.3
105.51149	0.4
118.25699	0.3
121.02965	100.0
122.03293	1.1
138.58514	0.4
149.61235	0.4
165.01939	51.9
166.02281	1.0
180.05872	0.5
181.06613	2.6
184.27335	0.3
197.06030	1.9
207.04446	0.6
223.04036	0.4
225.05556	1.5
238.41716	0.4
257.09869	0.7
273.50452	0.4
313.07007	1.1
357.05783	0.7
412.22589	0.4
417.09586	2.1
505.11392	1.4
549.10413	24.0
550.10657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18286	0.5
55.01869	1.5
57.03453	1.6
59.01384	30.6
69.03413	0.6
69.11117	3.3
71.01387	23.0
73.02943	5.1
83.01398	3.8
85.02954	9.3
86.00102	1.1
89.02452	1.0
92.96024	0.5
98.22591	1.3
99.00884	1.8
101.02446	11.5
113.02457	6.1
115.00389	14.7
118.18141	0.5
125.02438	0.7
129.01935	0.7
136.28262	0.4
155.38359	0.5
159.02982	0.8
161.02458	0.8
161.04561	2.0
181.98660	0.5
185.11781	1.1
303.18024	2.9
329.16095	2.9
347.17120	12.4
387.16608	0.7
389.18188	100.0
390.18488	4.4
390.55887	0.5
411.14212	0.5
437.96097	0.5
447.90619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78220	0.9
54.30884	0.7
55.01889	1.1
57.03447	1.4
59.01386	36.5
63.38945	0.7
65.90243	0.7
69.03471	1.5
69.11124	5.2
70.52079	0.8
71.01389	29.8
72.99323	1.1
73.02954	7.0
83.01388	3.9
85.02957	14.0
86.00105	1.0
87.00883	1.2
89.02452	1.8
95.01363	1.1
97.02966	1.2
99.00844	1.7
101.02454	15.5
111.00916	1.2
113.02467	6.5
115.00384	14.8
122.13553	0.8
129.01909	1.7
129.07599	0.7
133.02954	0.9
143.03464	1.5
159.02985	0.9
161.02463	1.5
161.04585	1.9
165.73134	0.8
167.10762	2.2
177.05779	0.8
185.11842	3.4
191.01971	1.0
303.18066	2.9
329.16040	4.8
340.51501	0.8
347.17120	15.2
389.18204	100.0
390.14142	1.0
390.18414	4.6
404.71323	0.8
495.92487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29455	1.0
66.12725	1.0
70.75899	2.2
71.01384	2.9
78.95909	95.6
84.43735	1.0
84.93829	1.3
99.91992	2.1
99.92594	24.9
100.93362	11.1
110.98551	17.0
115.92078	15.6
116.92872	19.0
137.00114	1.2
142.94432	1.0
146.89435	1.3
148.91052	1.2
150.97977	2.2
154.94394	1.6
155.95218	2.3
163.89757	5.3
164.90514	11.4
164.99580	6.8
167.01151	4.0
177.91254	1.7
178.88448	21.0
179.89226	30.1
180.90030	16.2
181.90816	9.4
189.91313	1.4
193.90779	43.8
194.91585	22.2
195.92323	2.0
196.89505	74.4
203.88916	1.3
210.91046	6.7
218.91753	1.4
221.83664	1.3
235.91663	1.4
236.92659	1.2
248.92622	5.7
249.93414	3.8
250.94171	2.1
252.92000	2.8
266.93646	6.4
267.94379	2.6
281.24954	5.5
283.22968	1.3
343.38211	1.2
381.17358	1.3
437.20059	2.6
501.17316	2.8
531.18121	7.3
545.15814	2.7
549.19330	100.0
550.19165	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	549.193
Annotation	Raocyclamide A
Peak:m/z	Relative Intensity
52.53196	1.0
53.47049	1.0
66.31208	1.0
69.17718	7.1
71.01380	3.8
78.95906	75.2
79.39249	0.9
82.84084	1.0
84.93864	1.4
99.92593	22.8
100.92741	1.4
100.93371	10.7
110.98558	13.3
115.92092	13.0
116.92861	14.0
138.58800	1.1
150.98029	1.8
152.56734	1.0
155.95190	1.8
162.88942	1.4
163.89684	4.0
164.90503	10.7
164.99583	4.4
167.01147	3.5
174.86485	1.2
178.88434	15.3
179.89230	22.4
180.90044	16.1
181.90848	8.7
193.89038	2.3
193.90781	38.7
194.91582	18.4
195.92363	1.9
196.89500	62.9
210.91046	8.4
236.92659	1.2
248.92577	4.2
249.93413	3.7
250.93985	1.9
252.92039	3.0
255.23799	1.3
266.18561	1.3
266.93832	5.0
267.94492	2.7
273.82458	1.1
281.24854	5.1
381.17435	1.4
437.19604	2.2
501.17389	2.3
531.18170	4.3
545.15668	2.0
549.19287	100.0
550.19330	7.0
556.05267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1931
Annotation	Raocyclamide A
Peak:m/z	Relative Intensity
59.49123	1.1
71.01376	1.3
77.03412	1.0
78.95911	69.3
98.86352	1.2
99.92598	16.9
100.93376	9.8
110.98561	11.0
115.92093	14.6
116.92868	12.4
147.84103	1.0
150.97948	1.1
154.94505	1.3
155.95229	2.8
163.89726	3.1
164.90518	11.5
164.99628	2.3
167.01224	1.8
173.04558	1.1
178.88429	11.1
179.89235	26.7
180.90005	11.7
181.90771	6.6
193.90785	35.7
194.91560	21.8
195.92357	1.6
196.89507	39.1
210.91023	3.6
248.92558	4.0
249.93291	2.3
250.94223	3.1
252.92236	1.4
266.93744	4.1
281.24792	2.9
381.17892	1.5
437.20026	5.8
501.17050	1.6
531.18475	5.3
545.16455	2.0
549.19318	100.0
550.19641	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.5
71.01385	7.8
77.03976	0.4
83.01410	0.6
85.02953	2.2
86.98550	0.4
89.02451	8.4
95.01398	0.5
101.02459	5.7
105.03481	0.5
113.02454	3.7
119.03484	3.2
131.03510	0.5
132.02177	2.1
133.02966	32.6
134.03705	0.6
135.04553	6.0
160.92743	0.4
161.02457	100.0
162.02827	1.8
163.11331	3.7
177.05586	0.7
179.03557	2.7
187.13316	0.5
207.10262	7.9
237.73401	0.4
262.59842	0.5
387.16629	81.9
388.16959	2.0
483.95184	0.4
489.17740	0.7
531.18774	0.8
549.19769	41.2
550.20038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50275	0.9
55.01871	5.0
57.03454	7.8
59.01385	100.0
60.01737	1.0
64.02495	1.0
69.73666	3.4
71.01388	47.6
72.99316	1.8
73.02956	24.2
75.00894	4.3
81.03465	1.2
83.01400	9.1
84.02184	1.1
85.02957	69.0
86.03298	2.7
87.00877	3.2
87.54608	1.2
89.01938	2.3
89.02459	19.8
95.01400	3.1
97.02959	1.3
99.00889	4.7
101.02454	35.4
102.39245	1.1
105.03478	2.8
108.02221	2.0
109.02968	3.4
111.00886	8.0
113.02467	19.9
113.03176	0.7
115.00391	2.6
119.03512	6.3
120.54566	1.0
121.02969	5.7
121.10212	5.4
123.04541	1.8
129.01959	15.2
129.03502	1.4
133.01395	2.0
133.02991	9.3
134.03729	1.6
135.03047	1.6
135.04546	2.2
137.02438	2.2
143.03558	2.0
143.45279	1.0
145.67476	1.1
147.03027	2.7
147.04547	7.2
153.05615	4.1
159.03047	1.7
159.04451	1.5
161.02473	2.4
161.04579	6.5
165.09224	2.1
166.99760	1.2
167.10936	1.1
173.00906	5.1
177.01895	3.1
179.05525	1.4
189.09325	2.0
191.01982	15.0
192.02243	1.2
193.02550	2.1
197.04558	11.1
199.12912	1.0
207.10222	1.5
209.02994	8.4
210.03374	1.2
229.01392	2.1
242.02916	1.2
265.07236	1.9
266.78775	1.2
267.06601	1.0
269.08249	1.7
295.06284	1.8
301.16577	3.8
327.07281	1.9
327.14514	3.4
339.05103	8.0
345.15573	60.4
346.15857	2.9
369.15356	2.0
371.05923	1.5
387.16626	94.0
388.16891	4.4
389.18066	4.7
433.20694	2.6
549.25397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28473	0.2
57.03442	0.3
59.01386	1.5
61.10184	0.2
61.66264	0.3
70.08903	0.7
71.01403	1.4
73.02965	0.3
83.01388	0.3
85.02966	1.9
87.00906	0.5
99.00892	0.4
101.02446	0.4
109.04707	0.2
113.02457	0.3
115.00378	0.8
129.01974	0.6
133.02989	0.8
135.04562	0.5
141.01962	0.6
141.12895	0.7
155.36899	0.2
159.50615	0.2
161.02478	1.9
179.03516	0.3
187.13412	8.3
188.04813	0.5
188.13690	0.3
189.05618	0.7
191.02097	0.3
209.15450	0.3
215.07143	0.3
219.06648	0.3
233.80061	0.3
255.10379	0.4
267.10434	0.3
268.11111	0.6
269.11807	3.1
283.09830	0.8
283.13275	0.6
285.11484	0.8
286.12207	0.4
295.13474	0.6
299.13028	0.6
300.13458	0.3
301.14465	16.7
302.14932	1.0
313.14484	1.1
327.12418	0.5
327.16034	5.0
328.16507	0.3
329.14020	0.4
331.18243	0.2
343.15512	1.1
344.16284	1.1
345.17078	100.0
345.98788	0.3
346.17380	5.2
351.04947	0.3
387.16653	0.3
389.18069	0.4
489.21191	0.3
505.26944	0.6
549.23486	14.2
550.23859	0.6
556.43994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15307	0.6
55.01878	5.0
57.03460	4.0
58.00578	1.2
59.01384	68.3
69.03446	0.8
69.53057	0.6
70.81995	0.6
71.01386	70.4
71.15788	0.7
72.99303	2.2
73.02950	21.2
75.00866	1.1
76.74197	0.8
83.00930	1.0
83.01400	11.0
83.51559	0.6
85.02957	34.7
87.00888	4.0
89.02452	34.7
95.01392	6.2
97.02952	2.0
99.00888	6.4
101.02452	58.7
102.15192	0.6
109.71552	0.7
111.00903	1.3
113.02459	33.8
119.03509	15.5
121.03019	0.7
125.02430	3.4
129.01967	3.5
131.03540	3.7
133.02979	2.1
135.04546	1.1
143.03517	5.0
145.01427	1.4
147.69998	0.7
149.04576	1.0
159.03026	5.6
161.02420	2.0
161.04567	30.1
162.19572	0.6
163.11311	0.7
179.03479	1.3
179.05644	9.3
180.99695	0.7
197.04622	1.1
221.06693	6.4
241.15724	0.7
248.89067	0.7
263.07813	1.3
312.20267	0.7
387.20276	28.7
388.20602	1.3
431.19217	0.9
518.29932	0.7
549.25562	100.0
550.25922	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.5
60.75411	0.9
61.98830	1.0
67.01881	3.3
67.53476	0.9
71.05019	2.4
81.02179	1.7
82.02990	46.2
85.02969	2.8
94.02985	10.0
95.05044	7.7
96.04555	21.2
97.06577	4.9
98.21707	1.4
107.03773	20.0
108.04570	19.4
109.06580	2.4
116.05077	14.9
117.61584	0.9
122.03760	1.6
127.71278	1.0
130.06633	4.3
134.40140	0.9
136.05244	1.2
140.03549	15.1
142.06664	3.3
150.06828	1.4
151.07678	12.0
152.03526	2.8
152.94012	1.0
157.07687	6.6
165.09174	3.3
169.08804	1.0
186.05515	1.1
207.09331	2.2
207.13818	2.1
215.10753	1.8
219.10255	6.7
220.10977	2.2
225.10313	20.1
231.13956	8.2
234.12630	6.0
237.10347	2.6
249.15051	12.5
250.15468	1.0
269.09329	100.0
270.09647	3.2
281.09335	67.7
282.09454	1.5
282.88596	1.2
297.12436	1.2
312.88885	0.9
441.96921	0.9
531.25018	8.4
549.26093	24.9
550.27264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54505	4.1
69.81229	10.2
69.81604	10.7
78.95912	24.8
152.99596	14.7
155.01869	4.9
174.71785	4.7
247.07266	4.4
254.25958	5.0
255.23311	100.0
256.23633	5.8
273.81360	4.6
380.69678	4.6
409.23563	4.8
492.30963	56.4
549.33221	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03456	2.0
59.01383	100.0
59.69136	0.5
60.01706	0.6
61.98838	1.5
69.03446	0.7
69.27180	2.6
69.76611	0.5
71.01386	15.8
73.02944	4.7
78.95897	0.6
82.09441	0.5
83.01411	2.9
83.01840	0.5
85.02955	11.5
87.00888	0.6
89.02446	3.1
95.01402	2.1
97.02962	1.0
99.00894	2.1
101.02445	7.8
101.03101	0.5
111.00895	0.8
113.02456	10.7
115.04081	0.6
125.02456	0.8
127.11343	0.6
129.01942	0.8
131.03516	0.6
133.97855	0.4
143.03587	1.9
155.10779	0.6
159.03011	1.0
161.02484	1.0
161.04575	3.8
171.13972	0.6
222.32202	0.5
270.77521	0.5
272.34076	0.4
299.25998	1.6
345.16754	0.7
345.30087	5.7
353.69684	0.5
457.16992	0.5
489.34360	42.9
490.34769	2.6
507.35385	21.6
508.36139	1.6
549.36841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.53874	0.4
57.03447	1.7
59.01383	100.0
60.01736	0.8
61.98835	7.3
63.71164	0.4
67.60748	0.4
69.03470	0.6
69.28358	2.1
69.28761	0.8
70.91490	0.4
71.01393	9.7
73.02959	3.0
82.09016	0.4
83.01390	2.0
83.10686	0.4
85.02956	7.0
87.00919	0.7
89.02458	2.6
95.01422	1.6
97.02991	0.4
98.22636	0.9
98.96991	0.4
99.00882	1.0
99.51470	0.4
101.02447	5.2
112.90657	0.4
113.02459	6.8
119.03529	0.6
122.91576	0.4
125.02455	0.5
143.03560	1.2
161.02466	0.6
161.04523	2.1
168.43176	0.4
171.13853	1.0
193.33487	0.4
224.43829	0.4
299.25928	2.2
345.30127	10.0
345.34186	0.5
459.33478	0.6
485.25851	0.9
489.34357	26.7
490.34677	2.0
507.35437	10.1
507.42508	0.6
556.88354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	11.0
58.25683	1.9
59.01372	7.7
61.98827	8.3
69.18945	5.1
69.19355	6.5
71.01379	3.1
74.02479	21.8
77.70844	2.1
82.02982	1.9
85.02953	4.9
86.02490	12.4
86.06083	3.3
87.05634	4.8
96.95995	2.2
97.04075	2.4
99.05635	19.8
99.66847	1.9
101.07232	3.3
107.05043	2.5
109.04077	3.8
110.37952	2.0
112.04075	2.9
123.37587	1.9
124.04128	2.2
125.03629	1.7
128.03557	64.2
129.01939	2.0
135.04523	1.9
135.05606	4.2
137.07161	2.0
143.04628	82.5
145.06180	2.8
146.04640	11.4
161.02460	2.8
163.02179	4.4
166.09869	2.6
166.70767	2.3
167.04657	2.6
167.08173	3.0
169.10199	2.2
179.04681	13.6
181.06123	4.7
185.05649	3.1
192.07819	3.1
197.09752	15.7
205.52348	2.1
210.06821	5.2
210.08833	19.9
225.09215	38.6
243.10295	12.3
253.04536	3.1
254.07841	45.6
272.08899	100.0
277.09061	9.2
305.04758	2.9
328.52231	2.5
409.48911	2.3
435.32526	2.4
441.48560	2.0
526.08521	2.2
550.18451	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03451	13.3
59.01385	6.9
69.13261	3.3
69.13670	3.2
70.95547	1.2
71.01404	2.5
83.01398	2.0
84.02171	1.2
85.02959	100.0
86.03326	1.5
103.00391	1.5
111.00893	4.4
121.02975	4.6
129.01950	11.4
135.04498	2.1
147.03008	20.0
153.05571	2.7
154.06241	1.2
173.00752	2.2
174.94673	1.2
191.01993	34.8
197.04585	6.2
209.03085	9.3
232.90715	1.0
233.37740	1.1
336.27261	1.3
371.06198	1.9
389.07352	25.9
390.07571	1.1
443.25952	1.1
539.89557	1.4
550.29834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43342	0.5
55.01880	2.1
57.03176	0.8
57.03455	13.5
59.01090	0.4
59.01385	8.3
69.58121	1.9
71.01387	3.1
72.99307	1.0
73.02950	1.2
75.00883	0.8
83.01394	2.2
84.02158	1.1
85.02959	100.0
86.03306	0.9
87.00874	1.1
89.02457	1.0
95.01409	0.4
95.11062	0.5
98.22615	0.8
101.02462	1.2
102.16891	0.5
103.00388	1.4
109.02924	0.5
111.00889	5.0
113.02395	0.4
115.00376	0.8
121.02961	3.6
123.00884	0.5
128.92569	0.4
129.01955	12.1
133.02954	2.1
133.39952	0.4
134.03806	0.5
135.04533	3.0
138.03247	0.5
147.03012	21.1
148.03304	0.6
153.05537	2.2
161.02470	2.4
173.00935	4.6
173.83641	0.4
174.03181	0.4
177.01962	1.0
178.02397	0.4
179.03531	1.9
182.02315	0.5
191.01993	38.1
192.02274	0.7
193.05101	0.6
197.04567	4.0
197.52469	0.4
199.02522	0.7
209.03035	10.0
248.48532	0.4
249.16541	0.4
265.07291	0.6
269.25165	0.4
327.07327	0.8
347.16702	0.6
371.06238	3.0
387.16873	0.5
389.07288	29.6
390.07617	1.4
390.19397	0.5
435.22290	1.3
453.07193	0.4
551.24054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56451	0.6
55.01889	1.8
57.03455	13.4
59.01382	6.7
68.44114	0.7
69.40506	1.0
69.40843	2.9
71.01382	1.6
72.99312	0.9
75.00887	1.2
83.01402	2.2
84.02191	1.3
85.02955	100.0
86.03290	0.7
87.00900	1.0
101.02467	0.9
103.00379	1.6
111.00889	5.7
112.65112	0.7
114.33755	0.8
121.02981	2.7
129.01953	16.4
135.04541	10.0
147.03012	17.1
153.05585	1.7
155.62582	0.6
161.02443	1.3
173.00945	4.7
179.03513	6.7
182.02219	0.8
191.01984	40.3
192.02406	0.8
197.04526	4.5
204.51709	0.8
209.03044	9.4
237.07574	0.8
265.07303	0.7
289.56607	0.7
339.73630	0.7
371.06250	2.4
389.07211	14.7
389.11713	1.0
390.07443	0.8
551.16132	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	551.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03448	13.1
59.01377	7.0
66.23287	0.5
68.99794	0.7
69.46406	2.3
71.01372	3.2
72.99313	0.8
73.02938	0.7
75.00888	1.7
75.49449	0.6
83.01408	2.6
84.02161	1.5
85.02956	100.0
86.03289	1.0
87.00870	1.6
89.02454	1.1
98.21937	1.1
103.00385	0.9
106.00581	0.6
111.00873	5.2
113.02483	0.8
114.00941	0.6
115.00404	0.8
121.02945	3.5
123.00907	0.9
124.90231	0.5
129.01962	14.3
130.02290	0.8
133.02950	1.9
135.04541	3.8
147.03012	19.5
153.05592	2.7
161.02414	2.0
164.34537	0.5
168.46649	0.5
173.00908	4.3
179.03526	3.0
191.01987	40.8
197.04581	4.4
209.03033	9.7
275.02411	0.6
322.88486	0.6
327.07031	0.8
351.02576	0.6
371.06122	2.4
389.07288	24.8
550.23315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38330	0.8
55.01863	0.8
57.03456	5.8
59.01387	23.6
71.01389	7.0
72.99335	1.3
85.02961	33.8
89.02458	4.9
95.01392	1.3
101.02442	3.9
107.01414	1.0
108.02189	20.1
111.00893	2.4
113.02451	2.6
119.03519	2.3
123.04546	14.2
129.01953	6.4
133.02963	1.9
135.04524	3.0
147.03021	4.8
151.00362	2.0
152.01176	24.4
153.05624	1.1
166.02707	3.2
167.03510	100.0
168.03831	2.3
173.00911	1.4
179.03485	2.6
181.05083	2.5
191.01976	15.0
194.02226	2.4
197.04492	1.5
209.02951	1.9
209.04604	15.8
239.05701	1.7
269.06772	4.6
275.10587	0.9
329.08789	51.7
330.09103	2.3
346.98538	0.9
389.07318	6.1
551.15637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34359	1.1
54.30667	1.0
54.68690	1.1
69.96077	3.1
72.00912	3.8
72.04552	13.1
74.02473	5.7
82.02992	68.1
85.02950	2.8
86.76076	1.3
96.69002	1.1
98.02486	38.1
98.22554	1.2
100.04059	35.6
106.04240	11.4
110.03624	1.0
115.86777	1.2
116.05075	18.1
119.05038	37.6
127.13572	1.1
136.07681	4.5
142.06700	5.5
159.09248	3.3
162.05573	1.5
186.05397	1.8
192.10306	5.8
203.08275	62.9
204.08588	2.7
212.06906	2.6
214.08490	13.3
218.08220	8.1
220.09839	14.6
240.06406	20.0
242.08009	26.5
243.08228	1.1
264.08780	100.0
265.09064	3.7
286.07004	72.8
287.07288	3.2
310.09979	1.4
551.16534	58.8
552.16724	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	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
56.76927	0.5
57.03455	12.2
57.86816	0.5
59.01391	3.1
67.01884	0.5
69.03425	0.8
70.23807	0.9
70.24116	0.5
71.01383	1.7
72.99303	0.6
73.02966	0.5
75.00880	1.1
81.20557	0.5
83.01393	3.1
84.02160	1.7
85.02957	100.0
86.03294	1.0
87.00886	1.7
89.03893	0.5
101.02483	0.5
111.00889	8.1
116.11220	0.4
117.03461	0.5
119.73026	0.4
123.04501	0.5
123.90090	0.5
129.01962	16.2
134.03760	10.8
135.08090	0.5
139.78531	0.5
147.02998	5.0
149.06093	1.1
160.01678	1.1
170.53050	0.5
173.00938	6.0
175.04001	1.8
178.02779	0.6
183.10262	5.2
191.01967	8.0
193.05067	9.0
251.12910	5.5
261.07599	1.1
307.69989	0.6
309.15057	0.8
313.12878	2.4
323.07767	1.7
327.15985	0.6
329.13998	1.5
345.17123	0.6
347.18665	2.4
357.11938	2.0
367.06744	1.3
371.15170	1.9
375.12982	5.8
533.16058	0.6
551.24274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24602	0.3
55.01885	2.3
57.03452	12.7
59.01378	3.0
61.98836	5.6
67.01907	0.4
69.09022	2.0
71.01370	2.0
72.99310	0.6
73.02962	1.0
75.00879	1.0
83.01399	3.2
84.02167	1.5
85.02957	100.0
86.03286	1.0
87.00893	1.6
93.75423	0.3
98.21868	0.6
101.02424	0.7
102.42851	0.3
103.00399	0.8
110.84161	0.4
111.00892	6.7
115.00425	0.6
123.08157	0.4
129.01955	12.4
134.03770	5.3
135.04517	0.5
147.03015	6.6
149.06122	0.5
160.01707	0.6
161.02443	0.6
172.92943	0.4
173.00916	5.2
175.04001	1.3
179.03448	0.7
183.10249	5.0
191.01993	19.4
193.05077	4.9
194.73973	0.4
209.03004	0.4
223.13448	0.6
227.03580	0.6
229.35895	0.3
251.12929	5.0
253.04865	0.5
261.07629	0.4
283.13440	1.1
295.12021	0.4
301.14587	0.5
309.14941	0.4
313.12924	2.7
323.07761	0.5
345.17059	1.0
353.23337	0.9
357.11841	2.5
367.06589	0.5
371.14990	2.0
375.12979	11.6
464.37073	0.5
526.73193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03453	13.7
59.01373	2.0
69.19010	2.5
69.19415	1.4
71.01377	1.3
73.02953	0.9
75.00845	0.6
76.42372	0.6
83.01378	3.3
84.02169	1.3
85.02958	100.0
85.90212	0.6
86.03300	0.8
87.00893	1.1
101.02438	1.0
111.00887	7.9
111.44000	0.7
117.03451	0.8
129.01958	18.7
134.03751	10.4
147.03012	4.7
149.06073	1.1
160.01698	0.9
161.02560	0.7
173.00916	7.9
175.04010	2.6
183.10260	7.0
191.02032	3.2
193.05055	11.2
251.12901	4.9
261.07675	1.1
313.12939	1.8
323.07791	2.3
327.16458	0.8
357.11978	2.7
367.06781	1.5
375.13040	2.8
405.58133	0.7
466.80206	0.7
558.59570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71142	0.3
55.01890	0.8
57.03450	1.8
58.00603	1.1
58.84781	0.3
59.01383	100.0
60.01728	0.5
71.01386	54.7
72.01716	0.4
72.99320	1.7
73.02934	2.0
83.01375	1.5
85.02959	15.4
87.00880	2.7
87.24003	0.3
89.02452	72.7
95.01395	3.0
97.02946	0.5
101.02449	23.1
106.04244	0.3
111.00814	0.5
113.02459	20.1
114.02772	0.3
115.03976	0.3
118.77309	0.3
119.03511	13.6
119.05005	1.3
121.06604	1.5
123.04487	0.4
125.02426	0.9
127.04028	0.4
129.01921	1.2
131.03522	3.2
134.03773	0.4
135.04518	1.0
143.03519	5.9
147.03008	1.6
149.04547	2.4
149.06053	6.0
153.05330	0.3
161.04567	6.0
167.07140	1.0
179.05627	17.6
191.01976	2.4
197.04561	0.4
209.02943	0.9
221.06622	0.8
273.49185	0.3
329.12201	1.4
329.15695	0.4
389.07324	1.4
390.42578	0.4
491.17447	0.6
509.18185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11244	1.0
52.86026	1.1
55.01879	1.8
57.03444	4.5
59.01386	100.0
64.81821	1.2
69.03436	1.8
69.80565	3.2
71.01390	53.4
72.99281	1.6
73.02961	12.5
75.00893	1.5
75.66534	1.2
81.03463	1.7
83.01411	7.0
83.05024	5.0
85.02960	29.1
87.00872	6.4
89.02455	46.9
91.62135	1.1
91.97220	1.4
95.01408	6.5
97.02968	8.4
98.22591	1.5
99.00907	3.3
99.04509	1.3
101.01813	2.7
101.02454	40.1
101.03120	2.3
106.04273	2.8
113.02464	45.8
115.03981	1.4
119.03520	13.8
121.02958	3.0
121.06609	20.5
123.04553	14.2
125.02459	3.7
127.04050	2.9
129.01941	2.5
131.03522	5.1
133.02950	2.0
134.03719	3.6
135.04517	3.9
139.07671	3.2
143.03526	14.1
149.04546	1.2
149.06100	8.3
150.03255	3.6
159.03041	1.5
160.01607	1.9
161.02396	3.3
161.04575	34.6
163.07693	2.0
165.05560	5.3
167.07150	91.2
168.07477	2.7
173.00931	1.4
175.03992	1.9
177.05681	1.8
178.02753	2.3
179.03326	2.0
179.04016	1.9
179.05624	29.5
189.87949	1.2
191.01991	4.4
191.05626	1.5
191.07169	3.4
193.05074	8.2
195.06639	1.8
209.08110	1.3
216.29750	1.1
221.06667	28.5
244.28264	1.3
263.07776	6.5
263.89911	1.2
297.17355	1.2
323.09824	14.0
328.06271	1.4
371.17340	2.1
491.17639	11.0
509.18759	15.0
551.19672	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	551.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01386	19.7
60.45213	0.5
62.93952	0.5
69.03445	0.8
69.79505	1.0
69.79877	1.1
69.82710	0.5
70.90872	0.5
71.01389	21.0
72.99310	0.5
73.02952	2.2
75.00834	0.6
82.55904	0.5
83.01391	1.4
85.02962	8.6
87.00895	1.7
89.02457	1.3
97.02951	0.7
99.00893	1.2
101.02453	4.8
110.04106	0.6
111.00864	0.8
113.02470	2.6
115.00387	14.1
125.02433	1.0
129.01938	2.0
133.01419	1.4
135.04539	0.6
141.12918	0.5
153.24901	0.5
161.02498	1.0
161.96454	0.5
169.12364	1.0
171.13872	0.6
183.10291	0.7
187.13409	33.3
193.05144	0.6
201.15060	1.2
229.14513	1.0
330.73642	0.5
331.17661	11.9
332.17859	0.6
347.18527	1.6
349.18695	53.7
350.19086	2.0
391.19775	100.0
392.20108	5.6
436.35870	0.5
459.43042	0.5
465.19650	0.9
507.21234	0.7
551.31299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03445	9.2
59.01383	6.5
59.60749	0.9
61.01394	0.9
61.98834	3.8
63.03265	0.8
64.88615	0.8
65.19484	0.8
67.87604	0.8
69.53893	1.8
69.54276	1.5
71.01376	3.7
73.02948	1.5
75.00886	2.0
78.87630	0.9
82.61659	0.8
83.01408	3.5
84.02172	1.0
85.02956	100.0
86.03337	1.0
87.00889	0.9
89.02473	0.9
95.01410	0.9
98.22574	1.8
99.00893	0.9
101.02457	1.8
105.03404	0.9
111.00887	6.9
119.05035	4.7
121.02969	1.1
123.00889	2.3
125.06188	0.9
126.57120	0.8
129.01959	13.8
129.31676	0.8
130.93718	0.9
132.02211	3.3
133.02982	5.9
134.03757	3.1
135.04527	2.1
144.08058	0.9
145.02988	2.0
147.03014	7.8
160.01691	7.6
161.02382	1.7
163.04057	6.1
166.99875	1.9
173.00951	5.4
177.01961	2.3
178.02737	2.1
179.03433	2.1
182.02245	4.8
191.01993	29.8
193.42755	0.9
195.13899	1.3
197.04549	9.1
207.08128	1.0
209.02913	1.0
211.13481	1.1
213.14964	6.5
223.07558	1.5
251.07053	5.2
263.07175	2.1
274.18246	0.8
279.06705	6.0
279.85699	0.9
281.17642	2.9
294.09015	2.6
295.06180	2.0
307.06177	1.2
309.15067	1.1
322.08530	3.0
323.05661	5.3
327.16071	2.4
338.07959	5.6
340.08057	5.8
345.17047	3.5
353.10306	16.9
354.10486	1.2
371.14880	3.2
387.16525	1.0
389.16098	1.2
405.17682	11.2
530.56738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.86381	0.8
57.03455	12.3
59.01392	4.6
59.21068	0.9
61.98826	1.5
71.01394	3.0
73.02946	2.0
75.00879	1.3
83.01376	4.4
84.02162	1.4
85.02957	100.0
86.03313	1.0
87.00902	1.5
93.03439	0.9
111.00902	9.6
113.02420	1.2
115.00374	0.8
116.05112	1.1
119.05043	8.4
129.01967	21.8
129.02831	0.8
132.02176	4.7
133.02995	6.3
134.03726	4.2
135.04486	1.0
137.02444	1.7
144.55077	0.9
145.02982	4.7
147.03032	7.5
160.01662	11.0
161.02466	1.6
162.03252	0.9
163.04018	12.3
172.86461	0.9
173.00917	6.3
177.01979	3.9
178.02719	2.6
183.13881	1.3
191.01996	10.6
205.12360	0.9
211.13374	2.8
213.14999	8.7
281.17560	6.6
284.10980	0.9
293.06866	1.0
327.16019	3.9
337.05579	3.1
340.07913	7.9
343.17496	2.4
345.17026	6.4
352.70337	1.1
371.14932	3.3
387.16675	1.1
389.16089	2.2
405.17703	3.2
432.70499	0.9
486.25558	1.2
527.58569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75793	0.5
55.63057	0.5
56.77274	0.5
59.01377	1.0
66.06300	0.5
69.95758	1.1
69.96109	0.9
72.00916	5.0
72.04552	0.6
74.02054	0.7
74.02477	12.1
82.02991	4.4
82.51440	0.5
85.02955	0.6
98.02479	2.6
100.04048	2.3
116.05071	35.5
119.05041	1.9
130.06650	1.1
131.32991	0.5
142.06638	9.9
154.02481	0.7
159.09286	8.8
170.52460	0.5
186.05666	1.9
191.02220	0.6
203.08281	100.0
204.08595	2.5
211.51030	0.5
214.08472	0.6
220.09908	1.6
240.06464	1.0
242.08054	1.2
264.08771	5.4
270.41504	0.6
273.70499	0.5
286.07068	4.5
321.94974	0.5
344.60135	0.7
529.11920	0.5
551.16541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
57.03451	6.4
59.01383	80.5
61.58279	0.9
66.63002	1.0
67.61552	1.1
68.99828	1.2
69.03439	1.6
69.31034	3.0
69.31437	2.2
71.01385	38.9
73.02951	20.7
73.74644	0.9
75.00875	1.5
83.01383	10.9
85.02470	2.0
85.02960	34.7
86.00117	1.5
87.00869	3.0
89.02449	6.4
91.15304	1.0
95.01379	3.6
96.72247	0.9
96.96023	2.5
97.02956	2.3
98.22733	1.0
99.00883	4.4
101.02444	41.5
113.02450	18.0
119.03524	2.3
125.02422	1.4
128.12704	1.0
129.01958	3.1
133.02954	1.5
135.04521	1.5
143.03467	2.8
147.03006	1.3
147.27696	0.9
150.64883	0.9
159.02974	1.2
160.92908	1.0
161.02477	2.0
161.04570	6.1
185.11836	2.9
191.01958	2.5
196.74759	0.9
256.95258	1.1
274.79807	1.2
285.17059	1.1
289.56400	1.0
291.75854	1.0
303.15009	1.0
303.18118	6.9
329.16098	10.0
347.17102	98.5
348.17368	3.7
371.17099	2.9
389.18188	100.0
390.18414	4.3
412.93539	1.1
551.23804	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	551.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.2
57.03448	16.4
59.01384	75.3
71.01389	50.3
72.99286	4.0
73.02950	18.4
75.00894	4.1
78.91898	3.7
83.01411	14.6
85.02957	100.0
86.03307	4.1
89.02460	13.1
95.04977	3.3
99.00881	5.2
101.02460	31.0
105.03507	3.3
111.00886	8.6
113.01384	2.6
113.02467	20.0
119.03494	4.7
119.05010	6.9
125.02452	4.1
129.01962	18.0
133.01419	3.7
133.02948	10.2
134.03734	4.1
135.04549	9.9
136.01689	6.6
137.02481	4.6
143.03535	2.6
147.03014	12.5
147.04475	4.8
148.05313	4.3
151.03938	2.5
153.05508	6.5
161.02444	9.7
161.04523	7.3
173.00943	7.0
177.01964	5.4
179.03503	7.5
185.11804	3.4
191.01996	18.4
192.04259	26.7
209.02974	4.1
282.09055	3.0
296.10580	4.6
297.11371	12.6
303.18295	4.2
327.12421	11.4
329.16061	16.1
345.15610	6.2
347.17169	78.8
371.17139	3.3
389.07144	6.0
389.13467	5.3
389.18216	72.8
391.18857	2.8
435.22672	5.2
539.53827	2.9
551.24261	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01382	1.7
61.98841	0.4
69.03517	0.2
69.80419	0.4
69.80807	0.4
71.01389	1.0
83.01395	0.3
85.02958	5.1
85.03481	0.3
88.98825	0.2
94.98119	0.3
96.96039	0.2
101.02477	0.4
111.00919	0.3
113.02489	0.3
115.00402	0.3
116.27249	0.2
129.01967	1.6
133.01469	0.5
133.03023	0.3
134.03763	0.5
135.04482	0.3
138.01735	0.2
147.02989	0.5
161.02472	0.8
173.00969	0.5
175.03996	0.3
179.03526	0.3
183.10344	0.4
183.13872	0.3
187.13512	0.5
188.22871	0.2
191.02005	0.7
197.04572	0.2
201.05579	0.4
202.06392	0.7
206.22212	0.2
215.07211	0.7
216.07893	1.1
217.08463	0.2
233.08316	0.2
238.67540	0.2
247.09763	0.3
259.17053	0.2
260.10672	0.3
265.11038	0.2
271.13406	1.6
273.11478	0.3
287.13022	0.9
288.13733	1.0
302.15225	0.2
303.16046	19.1
304.16306	1.0
315.16074	0.7
329.17551	4.9
330.17480	0.2
331.15405	1.8
345.16974	1.0
346.17822	1.0
347.18640	100.0
348.18988	4.6
349.18716	0.4
371.14966	0.5
389.17517	0.2
391.19778	1.1
551.25012	20.0
552.25146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28042	27.8
69.19380	31.3
71.53176	27.4
72.29338	29.4
78.95927	88.2
82.95413	100.0
232.68582	34.0
255.23370	46.0
277.21637	58.5
294.25168	47.1
356.06662	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25505	13.0
69.11666	100.0
78.95911	44.0
82.95432	40.6
98.22763	23.1
105.87016	13.1
133.73041	14.5
167.01260	17.0
188.36485	16.3
277.21732	14.2
279.23166	29.8
357.28308	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	552.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84088	1.9
57.03458	2.0
58.02969	12.4
59.01382	12.7
61.98828	9.3
66.03469	2.3
71.01388	4.4
74.02480	25.5
75.77753	1.9
82.02992	3.3
85.02946	7.1
86.02489	6.6
86.06118	2.9
86.99144	2.0
87.05660	4.9
90.00138	1.8
96.96011	1.8
97.04082	4.8
99.05648	26.7
101.02446	1.9
101.07197	5.3
102.05642	2.3
107.05052	3.7
109.04091	3.9
109.07695	3.0
111.05630	2.1
112.04065	3.8
123.05649	2.5
126.05614	7.0
127.05160	3.9
128.03552	65.3
131.73749	1.8
133.02901	2.4
135.04590	3.0
135.05658	8.3
141.06700	4.5
143.04637	100.0
145.06210	4.3
146.04649	10.5
153.06679	5.6
159.62808	2.1
160.00743	17.0
161.02448	7.4
161.06100	2.8
166.09828	4.3
167.04642	4.9
167.08328	3.5
169.04515	1.6
170.03345	1.9
177.03401	7.8
179.03470	2.5
179.04662	20.7
181.06120	3.1
185.05759	4.2
197.05722	3.8
204.03316	8.3
210.08856	19.8
227.10823	6.7
238.76254	1.9
245.11682	2.6
254.07843	37.9
272.08908	79.8
288.06607	11.0
306.07666	98.1
307.07666	1.7
307.89063	2.0
383.85309	1.7
401.18539	1.6
552.20166	18.3
552.28107	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	552.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.8
64.36244	1.0
65.64481	1.1
69.20224	6.0
71.62062	1.3
92.10123	1.0
94.23882	1.2
106.06636	10.4
110.09261	1.1
121.05329	1.5
134.06134	46.2
135.06335	1.2
136.07718	5.2
160.84190	1.2
196.36565	1.1
212.05754	1.6
213.06682	1.9
225.06735	1.9
227.08282	4.2
239.04567	7.7
239.08292	2.0
251.04662	2.4
253.10234	1.1
254.38791	1.1
255.07901	2.0
265.06293	2.1
267.07867	2.9
281.09308	2.5
309.08807	2.1
331.14316	3.0
341.11432	4.6
342.08768	1.8
343.10040	1.6
344.10477	3.4
356.06647	1.9
358.11905	2.8
359.12952	1.6
370.12073	2.0
372.09726	1.4
372.13687	1.9
373.14206	6.5
374.14981	4.9
386.11441	23.9
387.12277	2.4
398.11224	2.5
400.12827	3.9
400.17230	1.3
401.13831	9.7
402.14474	7.1
432.15573	3.3
456.15427	1.7
458.13657	5.6
488.18323	100.0
489.18561	6.0
490.16495	2.2
520.20941	97.7
521.21259	6.3
552.23053	1.4
571.53125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09896	0.5
59.01382	1.3
60.87151	0.5
61.68314	0.7
64.33697	0.6
66.50063	0.6
78.95914	29.3
96.96959	0.7
105.15968	0.5
152.99591	3.5
168.04301	4.2
224.06947	11.9
242.08031	2.4
253.21791	3.2
275.19962	0.7
277.21756	100.0
278.22113	4.0
502.29449	75.8
503.29660	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
69.10676	2.1
78.95914	7.6
126.76407	0.4
152.99597	0.8
168.04330	1.5
189.51851	0.4
211.99203	0.3
214.74875	0.4
224.06931	1.3
242.08047	3.1
244.79460	0.3
259.20660	0.6
275.20282	0.7
277.21747	100.0
278.22092	4.2
320.93893	0.4
502.29428	31.1
503.29828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.03453	12.8
59.01383	5.9
71.01379	3.1
72.99315	1.6
73.02938	2.1
80.89443	0.7
83.01391	5.3
84.02169	0.7
85.02958	100.0
86.03293	1.0
87.00880	2.0
91.01907	1.9
93.03482	1.3
101.02427	1.3
108.02190	4.0
109.02951	1.3
111.00892	12.9
111.04555	0.7
113.02432	1.2
116.05083	1.1
123.00940	1.1
123.04526	7.6
124.01662	1.0
125.02402	0.7
129.01955	24.1
133.02939	2.2
135.04535	4.1
137.02443	2.0
138.70784	0.8
147.03008	7.5
152.01193	3.1
152.04803	1.2
153.01958	1.2
153.05611	5.6
161.02460	3.7
166.02629	1.4
167.03505	15.9
168.03839	0.9
173.00902	7.7
179.03555	3.8
180.03789	0.6
181.05093	1.2
191.01999	5.8
191.05595	3.8
192.04271	1.6
197.04584	0.8
207.06699	2.0
211.06139	13.7
220.39075	0.7
235.06110	8.1
243.11365	0.7
279.05554	0.9
279.08731	2.8
297.06274	1.6
341.05084	1.2
341.08798	5.7
377.11758	1.0
385.07813	1.8
403.08829	2.1
423.58478	0.7
553.18555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69156	0.5
55.01871	2.1
56.93139	0.4
57.03178	0.7
57.03450	11.0
58.02970	1.2
58.03771	0.6
59.01385	6.3
60.03535	0.4
61.98824	0.6
66.39272	0.5
67.01885	0.5
68.99838	0.6
71.01374	3.6
72.99327	1.1
73.02942	1.1
74.02474	3.3
83.01395	4.1
83.44402	0.5
84.02191	0.9
85.02958	100.0
86.02482	1.0
86.03284	0.9
87.00892	1.7
87.05631	0.6
89.02444	0.6
91.01885	1.4
93.03474	0.8
94.98071	1.0
96.96014	1.8
99.05640	3.4
101.02438	1.4
108.02168	2.8
109.02983	1.5
111.00891	11.2
112.03999	0.5
113.02453	1.0
116.01736	0.5
123.04549	6.2
124.01691	1.0
125.99596	0.6
126.05649	0.5
128.03542	5.9
129.01956	20.5
129.03973	1.3
133.02942	1.2
135.04520	2.0
135.05554	0.7
137.02455	1.5
137.99579	0.5
141.06747	0.6
143.04633	8.1
144.05026	1.1
145.06384	0.5
145.86470	0.5
146.04570	1.2
147.01967	0.9
147.03015	7.7
152.01164	2.2
152.04814	1.3
153.01982	0.7
153.05586	5.9
153.06732	1.0
153.79204	0.5
153.99190	0.7
159.99467	0.5
160.00746	2.1
161.02441	3.0
167.03499	11.6
173.00929	7.3
177.03403	0.9
179.03502	1.5
179.04753	1.2
189.05679	0.6
191.02048	4.0
191.05608	3.4
192.04276	1.1
192.05940	0.6
196.03818	0.5
206.20090	0.5
207.06572	1.3
210.08800	1.2
211.06148	13.6
213.01328	0.8
219.90761	0.5
235.06137	6.8
245.48494	0.6
254.07832	2.0
255.08186	1.4
272.08859	4.4
273.09094	3.1
279.05814	0.5
279.08765	2.2
288.06628	0.9
289.07062	0.7
297.06064	1.4
306.07672	10.1
307.08002	6.6
308.07339	0.6
310.12286	0.5
331.19421	0.8
341.05270	1.2
341.08832	4.5
353.17398	0.5
385.07864	1.3
403.08994	2.5
406.77756	0.6
553.19379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03455	14.4
58.03798	0.7
59.01382	14.8
61.98829	2.9
67.92475	0.7
67.95889	0.6
68.99821	0.7
71.01383	8.8
71.41293	0.8
72.99304	2.2
73.02946	2.8
75.00886	2.9
82.62267	0.6
83.01394	2.9
84.02200	0.9
85.02959	100.0
86.03293	2.9
87.00892	2.0
89.02451	4.6
99.00833	1.0
101.02444	3.5
103.00366	1.5
111.00906	6.3
113.02477	3.6
115.00375	2.0
119.03513	2.2
121.02911	0.7
129.01962	13.3
137.02515	0.7
137.09747	2.0
147.03017	16.6
153.05707	0.6
155.10802	5.6
163.02461	0.9
173.00972	4.1
179.05618	1.2
181.08751	0.9
191.02005	43.9
191.54012	0.7
191.55716	0.7
192.02361	1.9
199.09760	5.7
202.57568	0.7
209.03065	1.2
329.12485	1.1
361.15112	1.0
373.11523	2.7
391.08105	1.0
391.12509	4.9
493.22821	3.3
511.24045	2.2
535.16870	2.4
553.17822	14.9
553.26013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03454	12.7
59.01382	8.7
69.46921	2.1
71.01382	6.3
72.99310	2.0
73.02962	1.0
73.35573	0.7
75.00892	3.3
81.35461	0.6
83.01409	3.2
84.02187	1.4
85.02959	100.0
86.03295	1.1
87.00872	1.1
89.02470	1.1
101.02464	1.3
103.00375	1.7
111.00893	5.7
113.02448	0.9
115.00404	1.3
124.11429	0.6
124.77238	0.7
129.01956	11.9
137.09743	2.2
145.08980	0.6
147.03027	13.6
155.10797	6.0
173.00914	3.5
181.08711	1.5
191.01990	47.2
192.02197	0.7
199.09766	5.7
254.95477	0.7
282.57285	0.7
313.76233	0.7
329.12527	1.5
361.15427	1.7
373.11429	4.8
391.07956	0.9
391.12378	4.6
433.03296	0.7
447.66367	0.7
491.17609	0.9
535.16724	1.6
553.17688	14.7
553.25879	0.8
554.17511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.6
59.01386	73.3
65.36146	3.2
68.99803	3.4
69.03478	5.2
71.01388	52.4
71.39077	4.6
73.02962	29.7
77.27768	3.1
81.03446	3.9
83.01385	4.5
85.02954	100.0
86.03289	7.8
89.02444	78.9
90.61094	3.3
93.03479	3.4
97.02959	11.5
99.00892	16.2
99.04502	3.7
101.02458	51.9
107.05088	4.2
111.00908	3.6
113.02464	13.7
119.03491	8.4
121.02939	5.2
123.53160	3.4
125.02403	5.2
125.06093	7.1
129.01984	17.3
131.03520	31.6
135.04515	12.6
137.02422	4.3
147.03008	12.6
149.03400	5.5
149.04549	80.3
149.05692	6.2
153.05589	7.6
155.03551	9.9
173.00955	6.9
177.05643	3.8
181.05081	48.5
183.77820	3.2
191.02019	30.2
191.05612	37.5
192.02357	4.3
193.02551	4.6
193.05151	4.1
199.06152	19.1
223.06175	3.9
251.07715	7.5
293.08844	5.8
362.95264	3.1
390.07700	5.0
391.08145	6.3
463.23383	4.0
466.21509	3.9
493.15759	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27526	0.5
54.68505	0.5
55.01875	1.8
57.03176	0.9
57.03454	14.0
59.01373	3.3
64.49674	0.5
67.01882	0.8
69.03449	0.6
71.01389	2.4
71.38489	0.9
72.99327	0.9
73.02963	0.7
75.00881	0.8
81.20238	0.6
83.01376	3.9
84.02172	1.4
85.02958	100.0
86.03307	1.1
87.00909	1.3
96.96012	4.1
98.98009	0.5
101.02449	1.5
111.00892	12.7
115.77964	0.6
117.03465	0.8
129.01955	43.4
131.10678	0.7
134.03757	11.2
135.04561	0.8
145.01520	0.7
147.03021	5.4
149.06114	1.9
156.58623	0.7
160.01657	5.0
161.02487	0.9
173.00922	14.4
175.04063	4.1
178.02687	0.6
185.11845	28.1
186.12209	0.7
191.01949	3.8
193.05069	8.9
233.61029	0.6
249.33160	0.6
253.14436	4.1
261.07745	2.5
315.14429	3.4
323.07733	2.5
359.13525	7.6
367.06729	1.7
377.14670	3.8
396.92731	0.7
493.25027	0.8
553.19257	0.8
577.12500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03178	0.7
57.03456	13.5
59.01379	2.6
61.98824	0.6
68.99838	0.5
69.03463	0.4
69.30499	0.6
69.30901	1.4
71.01390	1.6
72.99313	0.8
73.02943	0.5
75.00886	1.6
83.01401	2.5
84.02186	1.1
85.02959	100.0
86.03310	0.9
87.00887	1.3
92.82567	0.4
98.21921	0.5
101.02451	0.7
103.00374	0.8
111.00884	5.2
116.92867	0.5
129.01953	12.3
134.03757	4.7
147.03020	6.1
160.01726	0.9
172.59775	0.4
173.00949	5.0
175.04070	0.5
185.11842	7.3
191.01999	20.4
193.05055	3.0
207.13985	0.6
225.14999	0.5
253.14473	6.3
315.14575	1.9
323.07751	1.2
359.13394	3.2
377.14548	15.5
378.15256	0.7
511.00204	0.4
523.23297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03178	0.8
57.03453	13.5
59.01379	1.0
61.98825	1.7
69.79601	2.3
71.01371	1.4
73.02930	0.6
83.01384	3.2
84.02169	2.4
85.02957	100.0
86.03287	1.1
98.22060	0.8
103.86867	0.6
111.00886	8.6
117.03480	1.0
127.11855	0.6
129.01962	16.6
134.03752	12.8
147.02992	4.5
149.06041	1.3
160.01743	1.4
161.02422	0.6
162.73279	0.6
173.00923	7.9
175.03973	1.5
180.52077	0.7
185.11848	9.6
191.01958	2.3
193.05081	11.6
195.10336	0.8
199.13434	0.7
207.13980	0.7
214.37558	0.6
225.14906	1.3
253.14471	8.4
261.07605	1.3
268.42471	0.7
297.13495	0.6
315.14465	3.9
323.07791	2.0
359.13553	3.3
359.17642	0.6
367.06665	2.5
377.14761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03176	0.7
57.03453	12.1
59.01382	5.9
60.34260	0.3
61.98833	0.4
68.99797	0.4
69.47447	0.6
69.47847	1.3
70.27312	0.3
71.01387	2.9
72.99316	0.7
73.02956	1.0
75.00889	1.5
78.95966	0.4
83.01377	2.4
84.02178	2.0
85.02957	100.0
86.03297	0.9
87.00887	1.3
89.02411	0.8
89.28913	0.3
93.03503	0.5
99.00896	0.4
101.02468	1.1
103.00385	0.7
108.02218	0.3
111.00884	5.3
113.02447	0.5
115.00386	0.7
121.02923	0.4
122.03754	1.0
129.01958	13.2
132.50850	0.3
134.03770	4.9
136.01614	0.5
137.02457	0.5
143.03514	0.3
147.03009	7.9
149.02446	1.1
149.06090	0.4
150.03229	4.1
151.04030	0.9
153.05557	0.4
160.01648	0.9
161.04645	0.5
163.04100	0.4
165.05582	4.4
173.00954	4.9
175.04025	1.1
185.11847	6.3
189.12964	0.4
191.01990	22.4
192.02409	0.4
193.05052	3.3
195.06615	2.8
197.04665	0.7
207.13939	0.5
211.06168	0.4
225.14937	0.5
253.14438	6.2
295.40302	0.3
297.13354	0.7
305.21048	0.5
306.87457	0.4
314.73352	0.3
315.14389	3.2
323.07867	0.5
347.66901	0.3
349.20361	0.8
357.13611	0.7
359.13495	3.0
367.06747	0.7
377.14554	14.3
378.14984	0.7
425.33511	0.4
493.24551	0.7
505.18994	0.5
553.15387	0.6
553.23358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41042	1.0
55.01863	3.9
57.03214	1.2
57.03454	12.4
59.01369	3.2
69.59151	4.4
71.01391	2.1
77.76728	1.1
83.01369	5.1
84.02140	1.2
85.02959	100.0
87.00883	1.4
99.75290	1.0
101.02459	1.0
111.00903	8.5
116.50365	1.1
123.04533	1.1
129.01953	18.2
134.03719	10.1
147.02972	3.6
173.00880	7.6
175.03958	2.9
185.11847	8.8
191.01982	5.7
193.05043	10.2
238.02142	1.1
253.14545	8.4
261.07629	1.2
315.14603	2.5
323.07684	2.4
359.13409	3.1
377.14368	2.6
380.88589	1.2
425.33420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03454	13.1
59.01383	8.8
63.85511	0.5
67.01868	0.5
71.01387	10.5
71.38337	0.6
72.99312	1.8
73.02959	3.0
75.00869	2.2
82.95443	1.1
83.01391	7.0
84.02162	1.2
85.02956	100.0
86.00105	1.1
86.03290	3.5
87.00893	2.9
87.03388	1.7
89.02451	1.7
99.00909	1.2
101.02452	6.3
103.03999	0.5
111.00888	15.6
113.02453	1.8
115.00381	1.3
115.04018	0.7
119.03549	0.8
121.02944	1.1
129.01953	19.8
130.02277	0.5
133.01439	0.6
143.03529	1.8
144.70918	0.5
147.03061	3.1
147.04076	0.7
148.03442	0.6
149.03523	0.5
153.05637	0.6
161.02480	0.9
161.04541	2.7
168.15712	0.5
173.00916	3.1
179.03552	1.1
187.02541	1.2
191.02010	5.0
192.02353	1.5
193.02444	1.8
197.04541	0.8
205.03555	34.3
209.03033	1.0
214.35263	0.5
231.47093	0.5
298.78311	0.5
329.16132	4.1
347.17142	11.9
348.17535	0.8
362.55231	0.5
373.06854	0.7
389.06848	0.8
389.18521	0.7
390.07687	1.1
391.07776	3.0
391.19739	0.7
415.19595	1.3
477.19922	0.6
521.19086	1.0
535.19897	0.9
553.21423	14.3
554.21967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2289
Annotation	Milolide I
Peak:m/z	Relative Intensity
59.01387	19.1
59.39480	0.7
61.98835	0.8
65.00330	1.7
69.45971	1.5
69.46370	2.0
71.01392	4.2
73.02955	6.4
78.01121	1.4
79.01948	0.6
81.03467	4.2
82.00623	0.8
83.01399	1.4
84.72112	0.7
85.02952	2.3
87.00908	0.8
89.00353	1.5
89.02432	1.3
91.01875	1.4
93.03468	2.0
97.02939	1.7
99.00869	1.9
101.02447	3.1
106.00616	2.8
106.51875	0.7
108.02203	1.3
109.02943	5.3
110.00079	1.6
111.00923	1.6
112.98876	0.7
113.02444	2.5
120.99280	0.8
121.02963	39.5
122.00126	5.0
122.03390	0.7
123.00910	4.5
125.02499	0.9
125.99582	2.1
127.00402	1.2
136.98865	1.2
137.02455	36.2
137.99590	2.5
138.03268	5.4
139.00381	2.0
139.03983	1.0
152.04796	0.8
153.01976	2.1
153.05592	35.8
153.99106	1.8
154.02773	0.8
155.03519	8.8
161.04530	1.6
181.01434	15.1
182.02173	2.3
196.03780	7.4
197.04564	100.0
198.04884	2.1
297.54648	0.7
318.14725	1.8
333.13651	0.7
333.17172	7.4
349.20319	1.2
372.01126	0.7
417.25082	1.5
419.69275	0.7
449.21533	1.3
467.23111	1.5
493.20596	8.5
511.21823	11.6
512.21973	1.0
538.20581	1.2
553.22949	63.6
554.23438	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	553.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57708	0.5
57.03455	0.6
57.80691	0.4
59.01384	24.7
59.69012	0.4
61.98835	100.0
69.19542	0.5
71.01394	7.9
71.39063	0.5
73.02956	6.3
81.35725	0.5
82.49083	0.4
83.01406	1.6
85.02962	4.4
87.00005	0.4
89.02469	2.0
90.48980	0.5
95.01411	0.8
96.96040	1.2
99.92587	0.6
101.02467	6.3
103.38111	0.5
113.02454	4.9
119.03591	0.5
129.01999	0.7
131.03497	0.5
135.04558	0.8
161.02454	0.7
161.04617	2.1
179.03584	0.5
201.40131	0.5
394.20602	0.6
475.23639	1.4
493.24857	1.2
553.25348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.3
61.98836	100.0
70.43261	2.5
71.41387	3.1
77.90244	2.7
79.76676	2.4
84.84481	2.7
95.05042	3.9
97.10618	3.0
151.07655	3.9
160.84233	21.9
162.83955	31.2
271.06107	3.9
362.58621	2.9
490.24399	16.8
521.20715	4.6
553.05463	6.7
554.05237	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	553.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03458	1.4
59.01386	100.0
60.01733	0.5
61.98837	1.2
69.03468	1.0
71.01389	24.7
72.99326	0.9
73.02953	58.8
81.03495	0.7
82.39926	0.5
82.95396	0.5
83.01399	13.9
85.02960	6.4
87.00890	0.8
89.02456	8.6
95.01449	1.5
97.02973	0.9
97.06587	0.6
99.00885	0.9
99.04574	0.6
100.31032	0.5
101.02455	39.0
113.02460	14.5
119.03523	3.5
125.02505	1.2
131.03529	3.9
134.21210	0.5
141.09290	0.9
143.03542	2.7
149.04578	2.8
161.04582	9.2
179.05653	0.7
203.05661	0.7
221.06798	0.7
235.26379	0.6
253.04892	0.7
275.78540	0.5
275.82297	0.5
313.18234	1.6
331.19345	2.8
426.42712	0.6
454.22476	2.1
475.23355	2.7
493.24530	3.2
506.22015	1.2
535.25726	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3514
Annotation	Muscanone
Peak:m/z	Relative Intensity
56.19675	0.6
56.95382	0.6
57.62122	0.7
59.01357	0.7
70.50369	0.8
78.95869	1.6
84.95081	1.4
85.00445	36.8
87.53153	0.6
96.95945	0.7
140.04089	0.7
158.58202	0.7
180.47594	0.6
201.14439	0.7
249.60550	0.8
277.21747	2.4
285.26230	0.7
423.32950	0.8
434.28427	0.8
436.76627	0.8
445.23306	0.8
471.34830	100.0
472.35226	6.8
504.06509	0.7
521.75848	0.8
553.35229	52.1
554.35101	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	554.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61803	0.8
59.01378	4.5
61.98836	100.0
62.46230	1.0
70.33663	1.5
71.01398	1.1
75.89933	0.9
77.79555	0.8
79.00720	0.9
81.03461	17.5
83.05051	2.1
85.02950	1.7
90.85952	0.9
101.02442	1.0
107.05046	2.2
123.04548	2.2
133.06616	2.5
135.04498	1.1
143.73045	1.0
161.02486	2.5
161.06110	25.7
179.03543	1.3
215.10851	1.3
243.10268	69.8
244.10585	2.7
244.15247	0.8
326.55743	1.0
334.81525	1.1
493.37750	1.6
539.16565	3.9
539.66907	1.3
545.16541	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	554.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86334	5.7
59.01390	55.9
61.48511	6.6
61.98842	100.0
66.33285	6.0
69.31388	23.2
69.31795	11.7
70.74229	7.1
71.01376	19.7
73.02950	14.4
74.65466	7.1
85.02963	14.6
85.29893	6.1
89.02438	19.8
97.21112	7.4
98.22623	15.5
101.02454	10.0
107.57207	6.0
113.02459	17.1
113.17570	5.8
116.92878	7.8
117.90166	6.0
119.03517	9.1
135.04562	10.9
136.49321	6.0
161.02472	9.0
161.04550	7.4
269.55414	7.4
299.84366	7.1
389.54556	7.8
415.17130	6.5
493.24457	13.3
494.25241	7.3
518.22394	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	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49878	0.5
58.84658	0.5
59.01372	0.8
61.98792	0.7
63.38161	0.6
66.80053	0.6
69.14362	2.7
78.95902	5.6
80.34545	0.5
86.15322	0.6
88.85466	0.5
94.42802	0.6
98.22466	2.4
100.54044	0.6
110.06820	0.5
120.78962	0.5
121.11754	0.5
152.99635	0.8
168.04256	1.5
224.06924	1.5
231.24852	0.6
231.30553	0.6
242.08066	2.7
279.23312	100.0
280.23740	4.3
392.17456	0.7
504.31009	27.0
505.31345	1.7
539.58832	0.6
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
51.05637	0.4
59.65788	0.4
68.42297	0.5
70.34135	0.8
78.95913	21.4
80.98154	0.4
94.95004	0.4
152.99583	2.5
168.04359	3.3
194.05826	0.6
224.06950	9.2
242.07990	1.9
249.88680	0.5
279.23315	100.0
280.23651	4.2
415.16599	0.5
504.31006	64.9
505.31442	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	1.1
59.01381	20.1
69.81080	1.5
69.81429	1.2
78.95908	19.5
85.00427	3.2
98.22559	1.1
101.30228	0.6
105.86777	0.5
152.99605	2.8
168.04332	2.4
190.71979	0.5
195.89757	0.6
224.06926	8.0
242.08008	1.5
255.23314	100.0
256.23651	4.7
261.49249	0.6
277.97635	0.5
279.23087	0.8
480.30994	56.0
481.31418	2.7
493.31357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1298
Annotation	7-O-Methyltetrahydroochnaflavone
Peak:m/z	Relative Intensity
54.49277	0.5
59.01366	0.5
61.98806	0.6
65.00313	1.6
69.04484	0.5
69.45497	1.9
71.30515	0.5
79.01906	0.6
94.87474	0.5
95.01409	1.6
98.22725	0.9
108.02200	0.9
111.00888	2.8
111.60403	0.5
123.00887	0.8
124.01690	6.7
136.01695	1.7
136.98833	3.1
139.00400	4.3
152.01140	6.2
152.65007	0.4
157.06572	0.8
165.07117	0.6
166.99895	2.3
171.08136	0.8
173.06131	1.4
181.06606	0.6
185.06039	1.1
199.07784	0.5
201.05579	0.8
209.06004	1.2
225.05585	3.7
227.07185	1.7
229.05034	0.8
233.11710	0.6
243.06625	26.2
244.06866	1.2
253.05078	5.3
271.06131	100.0
272.06619	2.9
283.06113	2.1
326.41702	0.6
394.38947	0.5
555.12897	6.2
555.25769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.60007	0.3
55.01876	2.7
57.03453	12.5
59.01384	12.4
60.01735	0.4
61.98825	1.4
67.11778	0.3
68.99800	0.4
69.34749	1.9
71.01380	5.6
72.99314	1.7
73.02950	3.7
74.03292	0.5
75.00882	2.7
83.01392	3.5
84.02164	1.7
85.02956	100.0
86.03300	1.6
87.00892	1.4
89.02446	0.6
96.96014	0.4
99.00869	0.7
101.02453	2.4
102.35968	0.4
103.00366	2.1
111.00887	4.5
113.02457	0.8
115.00358	0.8
121.02961	0.4
123.00921	0.5
129.01956	9.6
135.04518	0.4
135.25572	0.4
137.02411	0.8
138.03270	0.3
145.01463	0.5
147.03015	16.0
153.05562	0.6
161.04544	0.6
173.00938	2.1
179.03542	0.5
181.01382	0.4
183.10274	0.5
185.11859	0.5
191.01988	28.6
192.02362	0.6
197.04561	0.9
363.14481	1.9
431.16992	0.6
545.78784	0.4
555.17010	1.1
555.28412	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.89271	0.4
57.03450	11.6
59.01384	4.4
61.98841	1.0
67.01894	0.7
69.07567	2.2
69.07967	0.9
71.01389	2.4
72.99337	0.7
73.02946	0.8
75.00883	1.5
83.01398	2.3
84.02162	3.0
85.02957	100.0
86.03290	0.5
87.00873	1.2
88.29440	0.5
94.26527	0.5
96.96037	1.2
99.00895	0.6
101.02460	0.8
111.00880	6.1
113.02484	0.7
115.00371	0.8
122.06174	0.6
129.01958	12.6
134.03758	4.1
147.03006	5.4
152.85927	0.5
160.01692	1.0
171.13902	1.0
173.00920	5.0
174.05627	0.7
187.13416	12.3
191.01996	19.9
192.02205	0.5
193.05043	3.3
201.15057	0.6
227.16563	1.6
255.16020	8.7
291.20398	0.6
299.15173	0.5
312.51157	0.5
317.16110	3.5
323.07654	1.0
361.15057	3.3
379.16122	11.8
411.91000	0.5
432.19089	0.6
537.25012	0.8
555.25726	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	555.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92820	7.3
59.01387	100.0
61.98822	37.3
71.01388	30.1
73.02946	21.0
74.57839	8.4
82.95412	12.0
85.02949	22.4
87.04526	13.6
88.98826	8.2
89.02433	19.7
90.83888	8.1
96.96021	16.4
101.02410	13.1
113.02476	15.8
116.92852	10.8
118.98090	11.3
135.04549	11.9
159.32933	8.4
161.02451	9.5
185.97144	8.0
307.19269	15.7
403.59982	11.6
525.36267	10.2
555.26837	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	555.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74266	6.5
59.01387	100.0
61.98826	29.7
71.01393	24.6
73.02954	50.1
79.95751	16.4
83.01411	14.9
85.02953	18.4
89.02446	17.3
95.39857	6.6
96.96024	19.2
98.79063	8.1
101.02466	26.2
101.10278	6.4
113.02478	22.7
120.54664	7.6
135.04565	8.4
161.04573	13.0
178.08170	7.3
236.75742	6.8
305.05988	12.4
499.13739	43.0
555.19983	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37022	0.2
54.66706	0.2
57.03448	0.5
59.01385	2.5
61.98839	0.2
67.33829	0.2
71.01391	1.0
71.40350	0.2
72.36806	0.2
73.02965	0.5
79.95736	3.3
79.96159	0.3
82.95436	0.5
83.01401	0.3
83.05009	0.2
84.93887	0.2
85.02957	4.6
87.00857	0.2
87.01395	0.1
89.02472	0.2
91.72441	0.1
93.47870	0.2
95.01353	0.2
95.05112	0.2
96.96018	100.0
97.02904	0.2
97.89311	0.1
99.00890	0.3
99.92597	2.1
100.93353	1.2
101.02445	0.7
109.02968	0.2
111.00896	0.7
113.02461	0.4
115.00388	0.2
115.92088	1.8
116.92871	13.7
117.92901	0.6
119.03539	0.2
121.02919	0.3
125.02406	0.2
125.09673	0.2
126.94927	0.2
129.01935	0.8
133.02995	0.3
135.04451	0.3
137.02460	0.2
142.94452	0.3
143.03531	0.2
147.03033	0.2
153.05606	0.3
161.02435	0.3
171.33385	0.2
173.00859	0.4
179.03493	0.2
184.91833	0.2
186.93437	0.3
191.02007	0.6
197.04587	0.8
207.13907	0.2
209.92621	0.4
239.93483	0.3
265.04599	0.2
265.07153	0.3
333.19727	0.3
349.20618	0.2
350.20578	0.2
351.20923	0.5
357.09766	0.3
433.09506	0.3
451.10547	0.8
495.26132	0.2
511.12863	0.4
519.09210	0.3
555.12762	1.6
555.24823	42.1
556.25214	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	555.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22262	0.4
57.03443	0.8
59.01378	2.0
70.75938	0.5
71.01348	0.9
72.37913	0.4
79.95743	2.7
80.98444	0.4
82.95429	1.4
85.02961	4.3
88.93032	0.4
89.36696	0.3
89.64463	0.3
92.92440	0.4
96.96019	100.0
97.96008	0.5
99.92599	0.7
101.02435	0.6
111.00873	0.5
115.92062	0.5
116.92858	3.9
119.05035	0.6
121.02946	0.4
129.01961	0.9
133.02934	0.4
135.04558	0.5
146.46854	0.3
161.02458	1.2
161.20441	0.4
163.04027	0.6
191.02003	0.5
197.04630	0.8
202.92979	0.3
242.48486	0.4
260.00348	0.3
316.09482	0.4
373.41470	0.4
555.24805	46.1
556.25269	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	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03460	0.6
59.01372	0.8
63.96239	0.9
69.03474	0.7
69.06326	3.5
71.01384	6.4
73.02952	2.0
78.98605	5.1
79.95743	8.1
80.96523	56.9
81.03477	0.5
85.00439	1.1
85.02956	1.8
87.00886	2.2
91.33084	0.5
94.18365	0.4
94.98095	13.0
96.96021	0.7
97.02954	1.8
101.02442	1.7
106.98089	3.2
110.26067	0.5
114.73080	0.4
115.90587	0.5
122.12865	0.5
122.97583	2.2
125.02436	2.8
127.04029	0.7
127.54962	0.5
134.97615	3.7
136.99136	0.8
148.99144	5.2
151.17868	0.5
152.98625	4.5
164.98654	10.1
167.00191	0.6
175.69347	0.5
196.61453	0.5
206.99699	2.3
225.00752	12.9
255.23236	1.5
268.21585	0.4
299.04346	2.8
333.11325	0.5
469.85019	0.5
555.28467	100.0
556.28754	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.285
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01378	1.8
63.96291	1.1
71.01393	6.3
71.42321	1.3
73.02931	1.1
78.95910	4.2
78.98608	5.5
79.95737	8.3
80.96526	63.2
85.02974	2.5
87.00886	2.2
94.98097	17.0
96.95999	1.4
97.02971	1.1
101.02481	3.3
106.98101	2.6
111.57121	1.1
122.97565	2.9
125.02525	2.2
134.97621	5.6
136.99179	1.1
148.99150	4.6
152.98647	3.9
152.99632	3.4
164.98668	11.0
181.71504	1.2
190.03862	1.1
206.99751	2.0
225.00781	15.4
245.04317	3.0
253.21872	1.4
255.23280	3.0
299.04483	2.2
311.05081	1.2
481.25626	3.2
555.28510	100.0
556.28870	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01622	5.1
54.35113	4.8
59.01374	17.9
61.98836	100.0
73.02946	11.8
83.21024	4.5
96.96027	5.0
101.02474	7.2
107.05035	14.6
113.02489	8.8
161.02432	8.0
161.05960	10.0
179.03499	6.5
217.12323	9.7
227.10762	51.8
245.11868	48.8
248.13936	5.4
453.83243	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
61.98835	100.0
71.40778	1.4
81.03463	1.9
96.75047	1.4
110.49853	1.4
144.97870	1.2
161.06059	3.2
215.10738	5.2
224.08284	1.4
239.86209	1.6
245.11850	69.4
246.12265	2.4
269.78452	1.4
393.91666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01375	3.0
61.98823	4.4
70.91816	1.0
71.01364	2.0
71.07788	1.2
72.04552	9.8
72.84370	1.0
75.00870	1.8
78.70871	0.9
83.01428	1.2
85.02962	7.8
87.00861	0.9
89.02439	1.4
96.96014	1.7
101.02452	1.0
106.81432	0.9
111.00896	1.1
112.27798	1.0
121.02892	1.1
128.03534	1.0
135.04523	4.5
140.10764	2.8
142.12383	53.8
143.12700	1.3
153.05386	1.4
161.02441	4.0
168.10321	27.6
170.10504	1.9
170.11884	26.8
179.03511	3.7
179.05559	3.3
190.86934	1.0
191.01950	2.7
197.04533	2.3
214.10866	100.0
215.11076	1.9
221.04556	2.2
251.05568	1.8
281.06631	3.1
341.08786	3.8
475.42114	1.0
521.79724	1.1
556.18854	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	556.225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03341	0.2
57.03452	0.2
58.18880	0.2
58.37032	0.2
59.01377	1.1
61.98835	100.0
70.00938	0.4
70.01288	0.6
71.01389	0.4
80.07856	0.2
81.66566	0.3
85.02958	1.4
89.02425	0.3
98.22669	0.3
101.02489	0.3
113.02493	0.3
147.03020	0.2
147.14432	0.2
168.04504	0.2
179.05666	0.2
191.02066	0.2
196.26617	0.2
197.04625	0.4
288.43781	0.2
295.50314	0.2
458.00494	0.2
575.59021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32103	0.7
55.82432	0.7
59.01383	1.4
68.69247	0.8
69.10311	3.5
69.10719	1.1
70.70492	0.7
72.16400	0.8
78.95910	45.5
91.04958	0.7
91.79530	0.7
92.61997	0.6
95.62940	0.7
96.96933	0.7
98.22038	2.7
122.00155	1.7
140.01221	9.1
152.99634	4.4
190.16873	0.8
196.03804	19.0
197.13972	0.8
213.61896	0.9
214.04881	2.2
222.00307	1.0
233.22697	1.2
277.21750	100.0
278.02835	1.0
278.22079	2.9
336.96054	0.8
432.43439	0.7
474.26279	64.7
475.26407	3.5
496.23032	1.6
556.25287	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01975	1.3
59.01369	4.0
69.09635	8.3
71.01376	2.3
79.93172	1.2
89.02457	1.9
101.02468	1.9
110.04002	1.6
113.02367	1.7
131.54469	1.3
235.08229	1.6
253.09276	15.7
271.05298	1.3
271.63007	1.3
277.21735	100.0
278.22089	5.1
345.86868	1.6
512.02594	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	556.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.8
69.20750	1.8
69.21158	1.8
71.01378	2.6
73.02946	0.7
75.17924	0.7
85.02952	0.7
89.02477	3.1
98.22719	1.2
101.02442	2.5
113.02454	1.5
119.03510	1.4
140.21930	0.6
161.04584	1.3
183.36595	0.6
188.94569	0.5
195.19800	0.6
212.30539	0.6
235.08275	1.7
253.09293	17.6
275.20178	0.6
277.21744	100.0
278.22086	6.6
279.23315	2.5
435.85886	0.7
537.17285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
59.01383	12.8
59.95825	0.5
69.03461	100.0
70.03796	0.7
70.87475	0.5
71.01398	3.0
72.99328	1.7
73.02959	1.4
76.77652	0.6
79.01922	3.7
79.75558	0.6
79.95749	1.3
83.01381	0.7
84.51240	0.5
84.80981	0.6
85.02944	4.4
89.01968	0.6
89.02480	1.6
95.01413	1.5
96.96018	37.8
97.02959	19.1
98.95597	0.9
99.00889	24.1
101.02448	1.5
107.48834	0.6
111.00922	1.0
113.02488	2.0
116.92860	0.8
130.61238	0.5
132.44141	0.5
135.04581	0.8
141.01956	7.3
153.83897	0.5
161.02502	1.0
179.03590	0.7
185.00929	46.5
186.01328	0.9
191.01984	1.1
230.36955	0.6
267.06564	0.7
328.89236	0.7
335.22446	1.5
338.08258	0.6
341.10406	0.9
353.10483	0.6
353.23459	0.9
497.28583	1.0
515.02350	0.6
557.13458	1.0
557.16754	0.8
557.26123	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07685	0.6
55.01874	2.3
57.03455	14.6
57.07512	0.6
58.09515	0.6
59.01380	4.1
69.29478	2.8
71.01365	3.1
72.99303	1.2
73.02939	1.8
75.00871	1.8
83.01394	4.5
84.02159	1.3
85.02959	100.0
86.03304	0.9
86.77365	0.6
87.00885	1.3
89.02464	0.9
101.02440	0.9
106.30420	0.6
111.00892	11.5
121.02972	6.3
123.00936	1.3
123.08194	9.2
129.01959	46.3
133.34241	0.7
135.04543	0.7
138.03241	1.0
139.00343	1.2
141.09227	2.9
143.70787	0.6
146.08957	0.6
147.03000	5.9
153.05580	4.4
154.99901	1.3
161.02480	1.3
163.73781	0.6
166.99936	1.0
167.07166	2.8
173.00931	15.5
182.02248	2.1
185.08206	22.7
191.02010	9.0
196.03798	0.6
197.04570	11.5
231.13013	0.6
265.07391	3.4
315.10901	2.8
327.07230	5.9
357.51929	0.7
359.09888	6.2
371.06323	2.4
377.10864	9.2
417.11090	0.8
487.48343	0.8
538.04639	0.7
557.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07685	0.6
55.01874	2.3
57.03455	14.6
57.07512	0.6
58.09515	0.6
59.01380	4.1
69.29478	2.8
71.01365	3.1
72.99303	1.2
73.02939	1.8
75.00871	1.8
83.01394	4.5
84.02159	1.3
85.02959	100.0
86.03304	0.9
86.77365	0.6
87.00885	1.3
89.02464	0.9
101.02440	0.9
106.30420	0.6
111.00892	11.5
121.02972	6.3
123.00936	1.3
123.08194	9.2
129.01959	46.3
133.34241	0.7
135.04543	0.7
138.03241	1.0
139.00343	1.2
141.09227	2.9
143.70787	0.6
146.08957	0.6
147.03000	5.9
153.05580	4.4
154.99901	1.3
161.02480	1.3
163.73781	0.6
166.99936	1.0
167.07166	2.8
173.00931	15.5
182.02248	2.1
185.08206	22.7
191.02010	9.0
196.03798	0.6
197.04570	11.5
231.13013	0.6
265.07391	3.4
315.10901	2.8
327.07230	5.9
357.51929	0.7
359.09888	6.2
371.06323	2.4
377.10864	9.2
417.11090	0.8
487.48343	0.8
538.04639	0.7
557.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
59.01394	3.7
62.64608	0.6
71.01397	2.8
73.02958	2.3
74.99107	0.7
80.33167	0.7
82.95419	1.9
85.02965	3.9
87.04520	2.0
87.18399	0.8
89.02447	1.4
94.69393	0.7
96.96043	0.9
97.02956	0.9
101.02483	1.9
106.84734	0.7
113.02467	3.0
119.04955	0.7
129.01938	0.8
133.10249	1.4
135.08188	2.5
153.09230	47.8
154.09636	0.9
161.02527	1.2
161.04532	1.0
167.03555	0.8
177.09200	1.2
179.07193	1.0
191.01721	0.7
191.05615	1.3
197.08203	100.0
198.08589	1.4
221.08192	1.9
224.26079	0.6
231.26140	0.6
239.09294	2.4
297.66876	0.7
299.11331	1.6
359.13516	55.7
360.13843	1.2
470.49051	0.8
557.16260	2.9
584.93652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03222	1.2
57.03456	12.9
59.01384	15.7
60.76093	0.8
61.98809	0.9
65.34686	0.8
65.92311	1.2
68.68833	0.9
69.15561	5.3
71.01395	5.3
72.99314	1.2
73.02953	1.4
75.00872	2.6
83.01384	3.1
84.02199	1.8
85.02955	100.0
86.03278	1.1
87.00888	2.1
89.59096	0.9
101.02448	2.1
103.00380	1.4
103.01491	3.8
111.00882	4.9
112.97144	0.9
115.00370	1.9
123.00873	2.2
128.03491	1.9
129.01955	8.9
147.03006	17.4
173.00938	1.7
186.67422	1.1
191.01982	34.6
198.56242	0.9
205.24695	0.9
209.11806	3.3
221.40733	1.0
249.05473	1.5
251.09279	1.1
325.20694	1.0
335.22198	4.0
365.15967	1.6
557.18982	1.5
557.29120	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	557.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01387	4.3
61.98840	0.7
70.14929	0.8
70.15279	0.4
71.01398	2.1
73.02946	0.5
79.95754	3.2
83.01372	0.6
85.02955	4.0
87.00885	0.4
89.02466	0.8
96.96019	100.0
97.95960	0.4
101.02451	1.3
113.02469	0.9
115.92088	0.5
116.92887	1.5
129.01913	1.1
135.04454	0.7
144.04253	0.4
161.02477	0.9
165.39966	0.3
179.03584	0.5
197.04456	0.6
209.03123	0.4
214.75015	0.4
259.89352	0.4
330.11795	0.4
338.08334	0.4
353.10132	1.2
556.69196	0.4
557.26422	47.9
558.26697	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	557.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66903	100.0
69.67285	50.7
92.95192	31.5
303.09949	29.9
310.25671	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53923	0.7
55.01886	0.8
59.01384	24.1
60.15073	0.6
61.98835	100.0
63.75875	0.8
71.01391	6.8
71.40326	0.7
73.02950	13.3
83.01383	3.7
85.02969	1.2
89.02487	2.4
101.02456	12.1
107.05045	2.5
109.02953	15.1
113.02459	4.1
119.03490	1.1
123.32498	0.9
125.02452	0.9
131.03580	1.0
139.07634	1.8
149.04576	0.8
161.04608	1.6
172.82133	0.6
183.33211	0.7
229.12361	5.9
349.27127	0.8
362.95401	0.8
451.19986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69890	0.5
52.57765	0.6
59.01384	41.8
59.65970	0.7
61.98835	100.0
66.26202	0.5
70.91847	0.6
71.01395	5.0
73.02953	9.7
73.64630	0.5
83.01401	2.2
85.02966	1.1
89.02464	2.3
95.01348	0.7
101.02458	6.2
103.54673	0.6
107.05072	1.3
109.02995	1.0
113.02463	2.5
113.42122	0.6
119.03533	0.9
131.03497	0.9
135.08182	0.7
139.07600	0.8
143.03539	1.0
161.04601	1.8
229.12373	1.9
247.13498	1.2
335.84323	0.7
374.57535	0.6
391.17694	1.2
409.18542	1.2
451.19955	1.2
512.55664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90534	9.4
55.70940	7.8
57.47536	9.1
59.96323	8.6
65.97413	7.9
67.01910	11.2
69.03458	62.0
69.09723	61.8
71.01389	10.0
89.34718	9.1
97.02959	100.0
107.05060	50.5
122.06191	8.9
124.01673	15.0
125.02461	69.4
131.05000	10.5
140.07166	9.2
147.04555	83.7
161.06070	27.0
183.08180	18.3
185.09735	38.4
199.07552	10.7
201.09241	19.4
211.07657	35.3
213.09300	54.9
229.08694	37.5
241.08742	19.4
257.08157	44.7
263.10681	24.7
269.08188	17.1
271.09763	14.7
291.10233	27.8
303.10254	13.1
318.08951	36.6
319.09479	12.8
331.09995	13.3
371.12613	12.7
373.13974	10.7
399.12250	12.3
410.19131	10.3
416.12555	16.4
466.14725	10.5
540.19635	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	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08399	0.7
59.01414	0.8
69.15865	0.7
72.91936	0.7
78.95910	34.7
85.38875	0.8
99.47608	0.7
110.98503	1.3
114.69892	0.6
122.00119	0.9
129.31471	0.9
140.01212	7.2
141.44957	0.8
152.99611	4.0
159.82047	0.9
167.01125	3.2
196.03795	14.7
207.00363	1.1
213.94676	0.9
214.04861	2.0
252.26855	0.7
279.23303	100.0
280.23727	4.4
471.20319	0.9
476.27863	52.4
477.28232	2.7
558.26733	1.9
559.31702	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18363	0.7
78.95912	10.6
85.26913	0.9
140.01297	2.1
196.03825	3.4
214.04884	2.7
224.00073	0.9
279.23312	100.0
280.23746	4.2
314.24188	0.9
348.00751	0.8
476.27856	26.4
477.28455	1.3
558.27216	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	558.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
66.03979	1.2
69.07893	8.1
71.01381	2.8
78.95905	10.9
88.88167	1.1
89.02399	1.4
91.18702	1.2
93.94588	1.2
102.66582	1.3
110.98534	4.4
113.02446	2.3
117.88708	1.2
148.16235	1.1
167.01166	11.8
177.60252	1.2
207.00444	3.5
235.08267	1.9
251.88521	1.2
253.09320	13.6
264.59225	1.2
279.23312	100.0
280.23657	3.0
281.24792	1.9
331.34967	1.3
468.22110	2.4
506.32425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.1
61.98819	10.8
71.39004	4.0
78.95911	29.2
105.10181	3.5
110.98516	5.3
127.13618	3.4
161.55800	3.1
167.01166	23.7
168.01505	6.6
207.00447	8.4
221.37828	3.8
230.41026	3.2
242.65068	3.3
243.43723	3.8
253.09264	14.8
278.22333	4.4
279.23331	100.0
279.87518	3.5
280.23837	4.0
287.06250	3.3
293.24835	13.0
325.29199	3.6
490.29306	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	559.1438
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
59.01385	44.0
62.59103	2.7
69.16187	13.9
69.16589	6.0
71.01394	19.5
72.22873	2.7
74.68866	2.7
89.02463	40.9
98.22762	5.4
101.02452	13.3
113.02446	13.6
115.17246	2.8
119.03497	20.0
124.52085	2.8
125.77545	2.8
143.03528	5.8
161.04588	8.9
179.05629	40.6
181.05069	17.7
203.67519	3.4
223.35933	3.1
269.30820	3.7
409.52902	3.1
559.14349	100.0
560.14771	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	559.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03448	14.8
58.71258	0.7
59.01397	5.2
61.98829	1.0
64.97815	0.7
69.93568	1.9
71.01384	4.6
72.99298	1.1
73.02944	1.8
75.00882	3.1
83.01402	3.7
84.02168	1.4
85.02957	100.0
86.03271	1.4
87.00893	1.1
89.02457	1.1
97.06589	2.9
99.00877	1.1
101.02459	2.9
103.00421	0.7
111.00885	12.4
113.02470	1.5
113.51888	0.7
118.98083	1.5
119.03628	0.7
121.02956	6.3
123.00893	0.9
123.08174	1.2
125.09734	19.8
129.01953	46.9
133.03003	1.1
135.04541	1.1
138.03227	1.7
139.00352	1.0
141.45201	0.6
147.03033	6.6
147.08203	0.7
153.05589	5.1
154.99879	0.9
161.02452	1.2
169.08664	0.7
173.00926	15.1
173.02361	0.9
182.02269	1.6
187.08087	1.0
187.09775	19.3
189.01991	0.7
191.02020	9.5
197.04559	12.1
197.06346	0.7
203.07140	1.3
265.07266	3.4
317.12341	2.5
317.18292	0.7
327.07297	4.7
361.11273	4.6
371.06158	3.0
379.12555	8.3
439.16272	1.4
553.70642	0.7
559.16138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13326	0.6
55.01874	2.0
57.03452	16.5
59.01385	6.5
61.98829	1.0
67.01882	0.9
69.37704	2.9
71.01398	4.4
72.61953	0.6
72.99322	1.3
73.02940	2.0
75.00856	1.5
83.01382	5.4
84.02188	0.8
85.02956	100.0
86.03286	0.8
87.00880	1.8
90.49315	0.7
97.06592	2.4
101.02454	2.4
106.00636	0.8
111.00888	13.5
113.02445	1.6
118.98116	3.4
121.02950	5.8
123.00912	1.1
123.08186	1.3
125.09730	17.8
125.10624	1.0
129.01953	45.5
130.02240	0.8
133.02960	0.9
135.04558	1.8
138.03241	1.4
139.04047	0.9
147.03004	6.8
149.04462	0.8
153.05598	4.0
154.99860	0.9
161.02440	2.0
173.00925	13.2
173.15868	0.8
179.03470	2.5
182.02217	2.4
185.06108	1.5
187.09773	20.4
191.00409	1.1
191.01997	9.2
197.04556	12.6
203.07208	2.3
205.12413	0.7
234.51360	0.6
237.07756	0.7
255.12369	1.1
265.07193	3.3
301.69754	0.7
317.12479	3.0
327.07321	4.6
361.11502	4.9
371.06366	2.4
379.12537	9.3
439.16196	1.6
468.47934	0.7
542.82703	0.8
557.63330	0.8
559.23560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	88.0
78.95448	1.9
78.95908	29.7
98.22229	1.7
106.26362	1.3
140.01212	10.0
149.03134	1.4
152.99620	4.5
196.03812	13.4
214.04822	2.6
277.21744	100.0
278.22189	6.9
291.75406	1.4
301.56509	1.3
459.35999	1.7
474.26285	61.6
474.33121	3.2
475.26511	3.4
559.23846	18.7
559.31128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29163	0.3
57.03429	0.4
59.01384	20.0
60.01696	0.3
62.91735	0.3
62.99827	0.3
69.89275	0.9
69.89633	0.4
71.01385	1.4
73.02961	0.3
83.01318	0.4
85.02952	1.0
89.02450	0.9
93.03416	0.3
95.01393	0.4
98.21998	0.4
101.02451	2.0
104.00262	0.3
113.02465	1.8
119.03522	1.0
152.68402	0.3
161.04523	0.4
198.05237	0.3
221.15428	0.4
242.02328	0.4
259.20624	0.4
270.01605	0.5
298.01212	0.5
301.21753	0.7
303.23294	0.4
307.22882	1.4
315.23383	0.4
319.22916	1.9
333.24384	0.8
337.23874	100.0
338.24200	5.1
351.25574	0.5
379.25101	1.6
383.78165	0.3
429.84543	0.3
448.19324	0.4
477.24957	0.6
499.29092	1.2
507.92578	0.3
559.14893	0.8
559.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36142	1.1
59.01369	1.4
61.98829	1.2
62.16819	0.9
76.94557	1.1
78.95914	28.1
84.01642	1.0
98.22636	2.5
139.71982	0.9
152.99567	6.1
168.04364	4.6
170.08815	0.9
190.68593	1.1
218.80699	1.2
224.06937	10.8
242.08054	2.6
269.48938	1.1
277.21747	100.0
278.21924	4.6
289.04703	1.1
453.90768	1.1
502.29431	85.5
503.29758	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	559.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94115	0.5
59.01360	1.0
61.98830	3.9
65.75221	0.5
66.50726	0.5
69.11568	1.3
69.11967	2.0
69.70924	0.5
78.95915	7.3
85.90215	0.5
87.30817	0.5
88.61062	0.5
90.62825	0.5
92.67812	0.5
103.69971	0.5
152.99622	3.3
168.04356	1.5
224.06911	0.9
242.07921	3.0
277.21747	100.0
278.22031	3.1
309.06998	0.7
474.26294	1.6
502.29446	33.3
503.29828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.1
65.93237	1.2
88.00780	1.2
89.48226	1.2
151.11275	1.2
154.28044	1.2
161.02524	2.2
179.03520	1.7
183.13968	6.6
193.12337	2.3
202.99609	1.2
205.02875	1.3
211.13411	100.0
229.24524	1.8
299.12939	1.5
300.13678	3.0
329.17542	8.1
532.45154	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	560.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93449	1.2
55.01912	1.1
59.01382	46.7
61.98837	100.0
71.01395	6.0
71.39814	1.2
73.02954	11.2
83.01392	2.2
85.02981	1.3
89.02467	4.2
101.02454	9.5
107.05019	1.3
113.02467	3.0
115.44126	1.0
119.03500	1.6
127.85149	1.0
160.80728	1.1
161.04593	1.5
231.13922	3.2
275.43503	1.3
453.22049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91617	4.4
57.05462	4.0
59.01368	7.6
63.26461	4.4
65.97789	5.0
69.05606	31.2
71.01385	4.6
78.95914	14.0
81.70303	4.0
89.02484	4.6
92.92802	13.7
98.21913	10.6
101.02448	4.3
196.83011	5.2
253.09273	16.8
265.77148	4.4
277.21713	100.0
278.22128	63.7
279.23367	38.9
504.31204	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	560.346
Annotation	N-Acetyl-leu-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.06216	0.9
56.04292	0.9
59.01377	4.2
61.98829	12.6
67.27660	1.0
69.33354	2.9
69.33746	2.0
69.46184	0.8
71.01407	2.2
71.02499	3.5
73.04074	2.9
76.01662	1.0
85.02953	1.5
89.02459	1.2
92.88313	0.9
98.22672	1.9
101.02461	1.6
113.02460	1.7
127.08743	1.2
129.10399	5.8
130.08749	38.5
139.08775	2.1
141.10350	2.2
143.11903	2.1
145.02933	2.3
146.06174	1.1
151.86778	0.9
161.02425	1.3
163.08827	1.6
167.08305	4.7
168.09055	3.3
169.09811	2.9
169.70573	0.9
184.10924	5.8
199.18181	12.9
221.16670	1.3
243.17125	4.0
256.20328	9.5
259.14529	3.3
276.17197	12.4
300.19226	1.5
333.19363	2.8
560.34583	100.0
561.35083	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
57.03454	13.3
59.01386	3.3
70.86544	0.7
71.01387	2.4
73.02956	1.4
75.00868	0.9
83.01398	5.5
84.02184	1.1
85.02958	100.0
86.03290	1.1
87.00879	1.6
89.02461	0.8
89.03995	0.6
95.05022	0.5
98.22028	0.6
101.02478	1.3
103.00384	0.8
103.01103	0.4
111.00894	9.6
117.03508	2.3
125.02456	0.5
129.01958	22.1
132.02209	1.1
133.02985	0.8
134.03754	29.3
135.04491	0.8
137.02484	0.6
144.01665	0.5
145.01378	0.5
145.03038	0.5
147.03012	12.9
149.06090	3.3
160.01675	6.0
161.02460	1.7
162.03169	1.0
163.04012	0.6
173.00941	8.3
173.02399	0.7
174.18848	0.4
175.04010	7.8
178.02740	2.0
179.03532	0.5
191.02011	10.0
191.03647	0.5
193.05083	23.0
194.05472	0.7
207.06639	0.7
207.45357	0.6
209.03075	1.4
218.05942	0.8
233.08151	1.0
261.07669	4.3
323.07761	3.6
367.06491	2.5
385.07880	1.6
385.87268	0.5
397.05606	0.5
489.01944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18727	0.6
52.65448	0.6
55.01868	2.5
57.03453	12.1
59.01385	5.8
67.01891	0.8
69.32001	2.9
71.01387	2.5
73.02952	1.8
83.01390	5.4
84.02159	1.2
85.02955	100.0
87.00880	0.7
88.98787	1.0
89.03973	1.3
101.02435	1.2
108.02223	1.0
109.02946	0.9
111.00888	11.4
115.40569	0.6
117.03452	2.5
121.02981	0.8
125.02412	0.7
129.01952	24.6
132.02133	1.0
133.02950	1.4
134.03751	32.8
135.04520	1.4
136.01672	8.6
137.02440	1.3
147.03004	13.1
149.06111	4.0
151.04022	10.5
160.01689	5.4
161.02438	2.8
162.03270	1.3
173.00929	8.4
175.04008	8.3
178.02696	2.0
191.02007	9.1
193.05060	29.8
194.05331	0.8
209.03043	0.9
218.05728	0.9
261.07666	4.8
309.07761	1.6
315.07281	1.0
323.07700	4.4
339.12341	1.3
342.10886	0.8
357.13431	8.8
367.06622	4.2
385.07687	2.4
424.15564	0.7
443.50922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26128	0.5
55.01877	0.5
57.03453	3.9
59.01384	13.9
65.74699	0.5
68.99823	2.1
71.01383	2.3
71.40384	0.7
72.99320	0.8
73.02963	1.0
75.39108	0.5
79.05547	1.4
83.01388	0.9
85.02957	26.6
89.02469	0.7
89.46653	0.7
91.01899	1.8
91.05536	5.4
93.03465	8.9
95.05026	3.6
99.00904	0.6
101.02478	1.1
103.05535	2.3
105.03471	8.2
107.05036	3.0
108.02172	1.0
109.02963	3.0
111.00889	1.9
116.92866	0.6
117.03451	1.4
118.55347	0.5
119.05025	5.9
121.02969	17.0
123.04539	6.9
129.01958	3.7
129.03470	1.1
133.02956	3.5
134.03769	5.0
135.04546	3.4
136.01666	4.6
145.02975	1.0
146.03735	0.8
147.03108	3.8
147.04533	94.9
148.04910	1.3
149.02480	7.4
149.06093	3.8
150.03242	7.3
151.04019	15.9
160.01697	1.0
161.02460	3.9
161.06052	0.8
162.03242	1.3
163.04025	1.9
165.01956	5.1
173.00960	1.3
175.04092	1.2
177.01947	5.3
179.03511	100.0
180.03865	2.0
191.01964	10.8
191.03537	4.8
193.05112	3.3
207.06717	1.6
208.03717	1.2
209.02997	1.5
209.04596	17.4
261.07526	0.6
272.56717	0.6
297.07626	1.0
327.08713	2.1
351.10687	1.3
357.09674	7.9
357.13504	3.9
385.07629	2.1
561.15845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09181	0.6
55.01862	0.8
57.03448	4.5
59.01385	12.3
61.16418	0.7
65.30880	0.6
68.99835	2.2
71.01403	1.9
73.02926	0.9
75.00912	0.6
79.05539	1.5
83.01394	0.9
85.02959	29.7
90.03781	0.6
91.01907	2.1
91.05539	5.3
91.37398	0.6
91.69292	0.8
93.03459	10.2
95.05022	3.3
96.96021	0.6
101.02450	1.0
103.05534	3.2
105.03477	8.0
107.05038	2.7
108.02221	1.7
109.02984	4.2
111.00889	2.8
117.03497	1.2
119.05019	5.2
121.02973	16.8
122.03769	0.9
122.44745	0.7
123.04546	7.9
129.01941	4.5
129.03485	1.0
133.02953	5.1
134.03757	6.7
135.04533	3.3
136.01672	3.0
145.02931	1.5
146.03700	0.7
147.03136	3.0
147.04538	100.0
148.05035	2.1
149.02446	7.9
149.06071	3.1
150.03265	8.6
151.04027	11.7
160.01662	1.1
161.02469	3.4
162.03282	1.5
163.04045	1.8
165.01999	3.2
170.80109	0.6
173.00948	1.9
175.03941	1.0
177.01892	4.7
177.05606	0.9
178.02638	0.8
179.03514	97.1
180.03859	1.9
191.01968	11.0
191.03532	4.2
193.04996	4.2
200.00204	0.8
207.06618	0.8
208.03714	0.9
209.02979	2.0
209.04610	20.3
223.41946	0.8
259.62726	0.7
297.07544	0.7
327.08652	2.4
351.10770	1.1
357.09738	9.6
357.13562	2.5
365.36386	0.7
385.07666	1.9
466.67139	0.7
501.30225	0.8
561.15704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54633	1.4
62.96404	3.5
71.01376	6.7
71.16234	1.4
78.95907	100.0
83.94511	1.3
90.77969	1.2
98.95473	1.7
99.92593	28.4
100.93370	14.0
110.98535	14.1
115.92092	9.7
116.92888	20.2
140.25380	1.3
148.90929	1.9
150.98102	2.1
162.88785	1.8
163.89746	12.6
164.90520	24.1
164.99617	5.5
167.01144	7.7
177.91254	2.0
178.88432	39.9
179.89227	26.4
180.90024	26.8
181.90843	10.1
193.90800	43.5
194.91585	17.0
195.92358	2.8
196.89494	62.0
197.89517	2.5
210.91003	7.3
236.92628	3.5
248.92516	2.9
249.93306	2.1
250.94113	2.6
266.93625	5.0
293.24899	6.2
299.65826	1.9
329.31714	1.7
393.17319	4.4
467.81821	1.9
543.18213	4.1
561.19299	93.8
562.19470	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	561.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94059	1.2
69.32822	5.8
71.01373	4.8
78.95905	93.2
84.93885	1.7
98.95427	1.7
99.92594	25.5
100.93379	12.3
110.98528	15.2
115.92075	10.0
116.92088	2.0
116.92870	19.2
148.91037	2.0
150.98053	2.6
152.77194	1.3
154.94438	2.4
155.95207	1.7
163.89742	8.4
164.90515	26.1
164.99602	5.7
167.01158	6.8
172.95401	2.0
178.88449	32.9
178.92029	2.4
179.89238	24.2
180.90025	18.2
181.90819	10.2
193.90778	43.5
194.91612	19.6
195.92380	1.7
196.89490	67.9
203.43831	1.3
210.54994	1.3
210.91084	8.4
210.92889	1.8
235.91896	2.8
236.92661	2.3
248.92651	4.8
249.93433	4.7
250.94150	2.7
252.91904	2.9
260.81674	1.6
266.93698	5.5
267.94391	3.2
290.65622	1.3
293.24817	5.6
294.01221	1.4
393.17447	1.8
449.19968	1.7
513.03638	1.5
513.16943	1.8
543.18134	4.0
546.08929	1.3
561.19269	100.0
562.19458	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	561.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15314	1.7
55.62239	1.6
66.57262	1.4
71.25858	1.7
71.39700	1.6
72.23915	1.5
78.95905	80.7
81.85867	1.7
82.92767	1.8
84.93890	2.0
99.92589	20.1
100.93380	18.2
110.98534	12.3
114.79127	1.7
115.92104	18.0
116.92883	16.3
128.88264	1.7
155.95146	2.1
163.89763	4.6
164.90509	27.5
164.99641	3.9
167.01099	2.0
178.88437	21.2
179.89223	33.1
180.90089	13.2
181.90778	6.4
193.90790	53.9
194.91600	29.6
196.65579	1.9
196.89497	32.1
236.92503	2.4
248.92558	3.9
249.93416	5.4
250.94139	2.1
266.93790	2.6
293.24756	4.5
321.95520	2.1
425.20126	2.0
449.20053	6.2
462.18900	1.7
513.17133	4.6
543.18152	4.3
561.19287	100.0
562.19690	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03450	6.3
59.01384	14.9
69.32529	1.3
69.32928	2.9
71.01386	7.6
73.02957	8.4
83.01397	3.0
85.02958	39.3
88.98816	1.1
89.02444	2.4
93.03525	0.7
95.01431	0.7
101.02457	7.2
102.13229	0.6
108.02187	2.5
109.02957	1.1
111.00899	3.4
113.02450	4.3
116.92900	1.3
117.03466	0.8
119.03511	1.6
121.02948	6.6
122.03760	3.7
123.04462	1.1
125.02396	0.9
129.01970	7.1
133.02980	1.7
134.03745	8.3
135.04561	3.5
136.01674	71.7
137.02438	1.3
137.38139	0.6
140.78915	0.6
143.03468	0.8
147.02992	4.4
149.02478	1.0
149.04567	1.1
149.06007	1.1
151.04019	100.0
152.01221	1.3
152.04367	1.7
159.04462	0.9
160.01669	1.7
160.05284	1.9
161.02463	4.7
161.04558	2.7
162.03162	2.1
163.04007	1.3
164.04703	0.9
173.00937	2.1
175.04013	2.8
175.07590	0.7
176.04964	0.7
177.01999	0.7
179.03607	3.5
181.59698	0.7
187.03989	0.7
189.05560	1.2
191.01974	5.5
193.05103	7.9
203.07130	1.3
209.02907	0.7
237.86588	0.6
246.06967	0.6
261.07794	1.0
295.23895	0.6
296.10748	0.6
309.11185	1.0
315.06989	0.8
323.07675	1.1
339.12476	1.4
342.11078	5.4
346.80948	0.5
357.13458	85.9
358.13849	5.4
385.28238	0.7
399.23883	1.6
445.20490	1.3
537.71667	0.7
561.29175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03453	8.6
59.01384	100.0
65.18378	1.0
69.03469	2.5
71.01387	46.6
71.41528	1.1
72.99287	1.4
73.02954	31.9
73.35086	1.0
75.00916	0.9
83.01379	8.1
83.05035	1.5
85.02959	45.1
87.00864	2.5
88.98811	4.4
89.02449	34.9
95.01395	3.1
97.02957	3.4
97.38250	1.0
99.00888	79.2
101.02451	24.0
105.01917	1.3
107.05000	1.5
108.47905	0.9
111.00896	4.0
113.02459	25.8
115.00383	1.0
119.03494	3.5
121.06584	1.0
123.08167	4.1
125.02488	5.1
129.01956	7.9
131.03494	13.5
132.02206	1.0
133.02946	1.4
134.03746	6.6
137.02464	1.4
137.09717	3.4
143.03522	6.3
147.02997	4.0
149.04565	43.3
153.09267	1.0
155.03513	3.1
159.02914	1.0
161.02467	2.2
161.04581	13.9
163.03955	1.0
163.11310	3.3
168.90465	0.9
173.00874	1.9
173.09682	2.2
175.03993	1.4
179.03532	1.8
179.05574	1.3
189.12862	22.0
191.02039	6.0
191.05643	42.9
193.05069	6.1
203.05627	20.7
207.13934	14.1
209.02979	1.2
225.14992	3.3
233.06639	10.3
238.26297	0.8
241.05165	1.2
261.07813	1.5
266.05911	2.3
271.09744	1.8
281.08127	1.7
293.08817	2.5
335.09692	2.4
339.12286	1.8
369.19489	1.2
387.20462	1.4
429.21375	1.7
468.08182	1.1
501.23767	5.6
519.24554	27.0
520.24988	1.9
553.52429	1.0
561.25598	42.7
562.25836	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	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03454	8.2
59.01386	100.0
60.99312	4.4
69.03448	0.8
69.21599	4.9
71.01389	25.5
72.99297	1.7
73.02954	15.9
75.00877	1.0
81.03442	1.3
83.01391	4.8
83.04997	1.4
85.02959	54.2
87.00861	2.8
88.98823	19.7
89.02455	13.5
89.03999	1.0
92.47074	0.9
95.01393	1.8
97.02956	0.9
99.00897	13.5
99.92568	1.0
101.02447	15.0
101.67143	0.9
111.00883	5.9
112.01710	1.0
113.02465	16.3
116.92886	4.3
117.03454	1.0
119.03513	2.4
121.02970	1.4
123.08176	11.8
125.02464	1.4
129.01958	13.8
131.03532	3.1
134.03761	9.5
134.04726	1.4
135.04488	1.7
137.02420	1.0
137.09691	3.1
138.03282	1.0
138.06799	0.8
141.01955	0.8
143.03485	2.6
147.03033	6.2
149.04611	4.1
149.05930	0.8
153.09183	1.3
159.03036	0.9
160.01709	1.2
161.02464	3.8
161.04555	8.9
163.11334	10.3
173.00870	2.9
173.09827	1.1
175.03993	3.7
179.03526	1.2
179.05698	1.9
185.11839	0.8
189.12868	18.8
191.01987	6.1
191.05615	2.8
193.05048	9.3
197.04616	1.1
201.11404	2.2
203.05556	1.1
207.13924	21.8
209.02988	2.2
225.14990	3.2
233.06482	0.9
241.05046	1.6
256.07297	1.0
266.06149	1.1
271.09839	4.8
281.08237	2.1
321.17133	2.2
323.07672	1.7
325.46820	0.9
369.19131	1.3
387.10910	1.8
387.20377	4.2
409.31332	0.9
419.84085	0.9
429.21323	4.5
501.23300	3.2
519.16595	1.0
519.24524	41.6
520.25049	3.7
525.16296	8.3
561.25580	69.1
562.25787	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	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59766	0.5
51.91188	0.5
58.51522	0.5
60.91428	0.6
61.98838	4.8
69.08192	3.7
74.04977	0.6
74.11340	0.5
77.95110	0.7
78.93761	0.6
78.95901	6.0
96.96888	0.7
99.28909	0.5
101.18768	0.5
152.99614	2.8
168.04343	1.9
224.07050	0.7
242.08002	2.4
262.04379	0.6
272.83752	0.6
279.23315	100.0
280.23709	3.9
433.24380	0.6
476.27774	2.1
504.31006	31.0
505.31268	1.6
561.25745	1.2
561.33282	0.7
576.36938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21674	0.7
61.98829	2.7
69.08537	5.7
78.95909	20.4
92.92817	1.4
133.19479	0.8
136.90375	0.8
152.99579	5.0
168.04315	3.1
179.64584	0.9
179.66066	0.8
219.00133	0.8
224.06978	7.4
242.08046	1.6
267.14285	1.0
279.23318	100.0
280.23657	5.3
293.43240	1.1
308.84909	0.9
433.23132	1.1
476.27829	2.1
504.30997	72.2
505.31403	4.6
561.33118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.2
59.01384	81.9
60.47218	2.9
61.98821	10.1
71.01389	38.2
71.40296	3.6
73.02953	30.8
74.02523	2.8
76.86710	3.1
83.01377	10.4
85.02472	6.0
85.02961	100.0
86.03294	14.1
88.96220	3.3
89.02452	49.7
95.01416	4.3
96.73957	2.9
101.02448	32.5
111.00891	6.3
113.02448	22.4
115.03747	4.1
119.03532	15.6
129.01956	13.4
133.02859	4.1
134.03734	6.8
143.03488	5.2
145.20543	3.4
147.02979	8.5
155.47220	3.6
161.04570	5.6
163.27383	3.0
173.00958	5.4
175.03973	3.9
175.07593	3.6
179.03450	4.1
179.05655	7.7
189.05617	6.7
190.06343	4.5
191.01968	28.9
191.45822	3.2
192.02357	7.5
193.05057	9.6
205.08780	5.9
209.02977	8.8
281.08118	12.6
309.07687	39.5
311.12906	5.2
324.10114	18.0
339.12323	37.1
341.14017	25.5
503.19180	7.3
504.62579	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	562.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	1.8
59.01384	30.4
61.98836	100.0
69.18792	4.9
71.01401	6.7
71.38818	0.9
73.02955	16.2
83.01400	3.2
85.02959	1.8
89.02460	2.0
101.02448	12.4
108.61667	0.8
113.02433	4.6
119.03497	1.8
131.03471	2.3
143.03542	1.5
149.04616	1.9
159.58498	0.9
161.04594	3.6
174.53850	0.9
203.05757	1.2
221.06795	1.2
311.56070	0.8
358.39072	0.9
561.34485	1.6
562.35400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.3
60.23697	0.4
61.98834	100.0
70.12534	0.3
71.01396	1.0
73.79248	0.4
85.02965	1.5
93.73079	0.4
101.02500	0.5
106.61286	0.4
111.00895	0.4
116.92936	0.4
117.65584	0.4
122.98294	0.3
123.89154	0.4
132.80954	0.4
135.04573	0.4
153.07509	0.4
161.02499	0.8
179.03511	0.5
193.59911	0.4
211.13644	0.4
214.08076	0.4
326.20740	0.6
338.24435	0.7
410.93796	0.4
556.93298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96972	3.7
56.47872	4.3
61.98823	7.1
78.95923	8.5
84.94321	4.4
91.01575	3.6
101.63593	3.9
135.88107	4.7
199.13371	7.6
269.90768	4.6
279.19583	15.9
347.25854	10.2
365.26974	100.0
366.27274	7.6
428.71399	4.2
562.31677	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	562.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90438	1.4
57.34723	1.3
61.98814	1.6
65.38035	1.3
69.29677	1.4
69.40640	5.7
70.55726	1.2
78.95908	31.1
82.02114	1.3
140.01180	6.4
142.20685	1.3
148.60976	1.3
152.99536	1.8
163.11440	2.1
165.12842	1.7
174.70314	1.7
196.03836	13.3
199.13406	21.9
214.04909	3.3
237.24806	1.3
279.19690	8.0
347.25851	7.0
365.26968	100.0
366.27185	3.9
562.31519	49.0
563.31866	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49228	0.9
57.01096	0.9
75.10381	1.1
98.22407	8.8
111.44457	1.0
120.02170	2.6
121.02968	100.0
168.06360	1.0
179.03513	78.5
180.03870	2.0
181.06670	2.0
187.00784	1.1
192.81615	1.3
197.06015	1.3
225.05521	1.4
228.02158	1.0
277.21994	1.5
313.07199	2.4
331.97421	1.1
385.07361	1.1
458.85898	1.2
475.10294	4.5
563.11322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84413	0.4
55.01882	2.6
57.03176	0.7
57.03453	13.3
59.01388	6.6
63.34481	0.3
68.99806	0.4
70.80727	0.7
71.01390	3.2
72.99320	1.2
73.02951	0.7
75.00883	2.3
83.01385	2.5
84.02172	1.0
85.02959	100.0
86.03305	0.6
87.00872	0.6
89.02496	0.4
94.39744	0.4
99.00887	0.5
101.02451	0.8
103.00391	1.5
111.00889	4.8
115.00410	0.9
119.97325	0.4
129.01959	7.1
137.03606	0.4
145.01402	0.4
147.03012	14.1
173.00919	1.8
182.39499	0.4
191.01993	39.8
192.02394	0.8
209.03090	0.6
251.07236	0.6
256.79294	0.4
267.06680	0.8
282.09293	0.4
286.87512	0.5
301.69806	0.4
336.33047	0.4
341.10425	0.8
353.10486	0.9
381.58499	0.4
413.41193	0.4
533.15454	0.5
563.13965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	54.9
60.04201	3.6
67.42970	3.7
69.27009	21.1
71.01393	38.9
73.02973	4.7
77.91486	4.0
85.02991	7.0
87.00890	9.9
89.02448	61.2
101.02448	29.1
113.02489	14.4
119.03536	7.8
161.04567	6.4
177.04167	9.8
179.05612	62.7
211.48167	5.1
221.06654	29.6
265.52191	4.5
271.20343	4.8
305.68625	6.1
323.09915	5.5
358.70676	4.4
362.61679	4.1
503.16245	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	563.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59697	0.6
55.01869	1.8
57.03447	1.0
59.01385	15.7
59.38131	0.6
61.98792	0.7
65.84222	0.6
68.99815	3.2
69.10597	0.6
71.01389	25.8
71.05022	0.8
72.22218	0.6
73.02950	8.0
83.01399	4.4
85.02959	13.5
86.00088	0.8
87.00875	1.4
89.02460	2.3
95.01387	1.0
97.02998	0.7
98.21867	1.2
98.68745	0.7
99.00889	8.1
101.02450	19.2
110.12090	0.6
111.00870	1.0
113.02467	6.0
115.00386	13.5
119.03494	0.8
125.02459	1.0
127.00378	0.7
129.01965	1.0
133.02950	1.9
135.04559	2.8
143.03546	1.1
148.11980	0.5
153.05515	0.6
159.03049	0.9
161.02475	4.0
161.04555	1.4
173.44174	0.6
179.03549	2.0
183.13934	0.7
185.11835	2.1
190.49493	0.6
191.01949	2.0
192.63214	0.6
263.82092	0.6
303.18408	0.7
327.18155	4.0
347.17120	100.0
348.17474	3.7
352.81943	0.6
371.17130	4.2
389.18173	3.0
415.16104	19.0
416.16370	1.5
447.18741	7.5
463.18375	1.1
482.18323	0.9
515.26746	1.4
563.20502	3.6
563.28076	4.4
563.70758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01386	50.0
61.98827	0.8
69.20464	2.7
71.01383	9.2
73.02943	1.7
83.01410	0.9
85.02466	1.1
85.02961	13.6
87.00854	0.5
89.02452	9.3
95.01411	0.6
99.00900	0.7
101.02454	7.1
103.00433	0.6
110.45914	0.5
113.02449	4.0
114.62687	0.6
117.03481	1.2
119.03529	2.9
129.02007	1.2
132.02190	8.6
133.02965	7.1
134.03757	17.6
135.04546	3.5
135.05386	0.5
147.03014	2.0
147.04520	1.3
148.05264	0.6
149.06123	2.2
160.01675	38.8
161.02461	17.7
163.11298	4.3
175.04018	36.1
176.04672	2.3
178.02693	0.5
179.03499	2.4
183.81158	0.6
191.01971	4.2
191.05649	1.1
191.07199	2.3
193.05096	10.9
207.06784	0.8
207.10294	8.8
209.03067	0.6
211.13383	0.6
212.81154	0.6
220.03809	0.7
235.06120	4.3
253.09479	1.3
265.07217	1.1
295.08301	1.5
327.21771	3.2
369.15527	2.9
371.14926	0.7
387.16629	100.0
388.16983	3.3
489.17789	2.7
497.82202	0.6
502.45609	0.6
503.19467	0.9
531.18915	1.9
563.21399	43.5
564.21887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57488	0.3
55.01885	0.4
59.01383	26.4
61.98839	3.8
68.99844	0.3
69.03467	0.6
71.01387	6.9
71.07021	0.2
72.99317	0.6
73.02952	19.5
81.03469	0.4
83.01393	5.1
85.02968	2.0
87.00896	0.4
89.02460	1.1
95.01404	0.4
96.95988	0.3
97.02963	0.5
99.00928	0.3
101.02451	15.2
113.02462	3.7
117.03803	0.8
119.03490	1.1
125.02473	2.0
125.78105	0.3
131.03488	1.1
143.03525	2.2
143.12019	0.3
149.04547	0.6
155.03487	1.1
155.10794	100.0
156.11073	1.8
161.04604	2.4
169.12341	1.4
189.05666	0.3
191.05626	0.4
197.11844	3.2
203.03810	0.6
203.05559	2.8
219.06961	1.1
221.06743	0.9
227.12923	0.6
239.12938	0.4
299.74661	0.3
311.09897	0.7
312.10123	0.6
313.09830	1.0
315.19699	1.9
316.20111	0.4
356.36682	0.2
401.18237	1.0
472.58636	0.3
500.04257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2865
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
50.05430	0.7
57.03448	2.9
59.01386	5.8
70.21559	0.7
71.01387	3.4
73.02947	2.5
75.00881	3.3
80.81461	0.7
83.01396	0.8
83.05034	1.3
85.02955	25.5
86.03291	0.7
87.00867	0.9
87.04529	1.8
88.98844	1.7
89.02457	1.1
96.96040	3.5
101.02472	2.0
111.00890	1.4
113.02460	2.1
120.20055	0.7
127.81440	0.7
129.01945	2.0
135.04517	0.7
136.49860	0.6
147.03015	2.6
147.04659	0.7
161.02457	1.1
179.03578	1.7
181.08101	0.8
188.08949	0.8
191.02008	7.8
339.23352	0.9
353.63983	0.7
363.27042	1.1
369.24133	1.0
415.24765	2.7
417.22717	3.9
419.24551	1.5
421.27649	1.7
437.27005	1.1
439.28644	5.3
443.27811	4.3
453.26340	0.9
455.28339	1.1
457.29797	1.3
466.65195	0.8
483.27539	2.8
501.21503	1.0
501.28680	14.3
505.28311	1.6
519.29999	6.0
545.25812	0.8
563.28656	100.0
564.28839	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	563.347
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05610	0.6
61.98844	0.7
62.97985	0.6
69.03395	2.6
69.03795	1.4
78.95901	6.7
79.14021	0.6
84.78948	0.6
85.39778	0.7
94.07187	0.6
95.56721	0.7
98.22621	1.7
99.66730	0.6
106.22821	0.7
110.96038	0.7
116.56779	0.5
126.61962	0.6
145.36357	0.6
152.99625	3.4
168.04314	1.6
224.06853	0.9
232.60915	0.7
235.80241	0.8
242.07986	2.0
279.23206	0.7
280.23706	1.8
281.24875	100.0
282.25232	4.5
288.70154	0.7
473.83286	0.8
481.25809	1.5
506.32532	34.5
507.32529	1.6
563.34851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03515	3.8
72.06190	3.2
78.95909	37.5
80.77670	3.4
83.42529	3.5
92.92820	22.5
94.92497	19.4
98.22708	10.8
99.92609	5.6
110.98548	5.2
134.98578	3.5
151.90869	3.3
152.99611	6.0
167.01254	4.4
167.02985	3.8
184.32513	3.3
193.90768	6.8
201.08611	3.6
224.06914	8.4
266.19351	3.7
277.21707	3.7
279.23264	9.1
281.24890	100.0
337.08981	4.1
506.32553	64.5
507.32867	4.7
528.15570	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	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52562	4.5
59.01387	79.8
61.98838	100.0
66.00317	4.0
70.08024	5.1
71.01399	20.2
71.22821	7.5
73.02954	38.3
83.01405	15.8
85.02960	7.8
88.41042	4.7
89.02465	7.9
93.13178	4.6
101.02448	35.7
113.02466	14.7
137.27811	4.5
143.03511	4.1
149.04559	4.2
149.37346	4.2
159.91290	4.5
161.04561	21.2
194.68816	4.0
221.06793	5.4
314.42734	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	564.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	68.0
61.98837	100.0
70.25928	1.6
71.01402	17.2
72.97551	9.7
73.02951	32.9
83.01387	8.3
83.05018	1.5
85.02942	10.6
89.02442	8.7
89.29292	1.8
94.27568	1.5
96.96012	16.6
101.02448	29.4
103.84508	1.9
107.16616	1.5
113.02448	13.6
119.03514	3.7
133.02948	4.7
135.04544	4.4
143.03481	2.8
149.04553	5.7
153.59868	1.6
161.02498	11.1
161.04591	11.9
179.03444	3.8
221.06677	2.1
230.81366	1.9
252.74106	1.8
272.35007	1.9
312.35873	1.9
377.11328	2.2
451.08234	2.0
483.88992	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	564.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.8
68.99329	1.7
69.19751	4.3
69.20158	7.3
72.04548	3.9
77.38343	1.9
80.61773	2.1
113.28509	2.1
124.86409	1.9
126.09286	3.3
128.03493	2.0
128.10828	47.8
154.08728	15.6
156.10329	23.4
183.11372	7.1
198.51494	2.0
200.09300	100.0
201.12450	29.8
316.91620	1.9
411.66464	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	564.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32141	2.1
57.03451	5.1
59.01382	34.6
61.36708	2.3
61.98833	100.0
71.01374	6.0
75.00871	13.0
78.91863	2.5
85.02955	18.2
95.01370	2.0
101.02463	4.1
113.02449	3.0
127.00333	2.2
129.01965	4.7
133.03018	2.7
135.04567	4.3
141.01978	4.6
143.03477	4.4
147.02951	2.8
168.29242	2.1
173.04593	2.9
179.03546	2.5
197.04529	3.6
201.04031	8.0
268.34177	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	564.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66641	0.7
54.61155	0.5
59.01374	0.9
67.06878	0.6
67.32584	0.6
67.43032	0.6
69.90688	1.9
75.57973	0.6
78.95905	9.4
88.55611	0.6
98.22326	1.8
117.77450	0.7
124.49578	0.6
127.07705	0.7
128.14796	0.5
130.21532	0.6
152.99597	4.1
180.04337	1.5
218.29884	0.7
236.06921	0.9
254.07916	2.8
259.21005	0.9
277.21747	100.0
278.22064	13.4
279.22455	1.1
503.29681	3.8
514.29413	32.6
515.29865	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	564.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90858	0.8
51.75176	0.9
52.51001	0.9
59.01375	1.8
67.87092	1.0
78.95906	30.9
98.22523	4.2
126.73304	0.9
132.39096	1.1
152.99605	8.9
155.64484	1.1
165.78116	1.0
180.04303	2.7
224.07050	1.9
236.06882	9.9
254.07988	2.2
277.21738	100.0
278.22058	11.1
325.90948	1.0
502.29993	1.2
503.30060	6.6
514.29401	71.2
515.29852	3.4
528.30768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98623	18.5
69.12944	55.2
69.13355	100.0
96.27297	19.6
98.21903	56.0
136.52434	21.0
152.09360	19.9
176.06854	23.6
184.69139	21.2
186.51550	20.0
337.07788	24.3
505.48544	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	565.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63647	0.4
59.01365	0.6
62.96437	0.8
72.74513	0.5
78.95908	100.0
96.96040	7.3
96.96965	38.9
102.57544	0.5
111.02011	9.5
118.79902	0.4
120.96977	1.9
125.39744	0.4
127.13159	0.5
127.20532	0.4
136.94035	1.4
138.98013	3.0
150.98003	2.6
158.92548	16.4
163.81555	0.4
170.92230	0.5
174.98026	1.1
176.93608	1.2
178.95061	0.8
192.99188	1.1
201.02402	0.4
211.00156	4.7
227.00841	0.4
241.01189	9.3
241.03462	0.8
248.19012	0.5
259.02280	0.5
272.95743	4.9
279.95178	0.5
280.02319	2.0
280.95120	0.6
298.30759	0.5
305.01794	1.0
320.97983	2.4
323.02866	68.8
324.03366	1.2
338.93979	0.5
378.81122	2.5
379.81430	1.5
380.80954	3.4
384.98416	4.8
402.99542	2.6
420.06625	0.5
420.82205	2.6
421.82565	1.5
422.81943	5.4
476.76114	0.8
477.26288	0.6
485.76312	1.0
488.77499	0.5
504.95325	1.8
564.83710	2.2
565.04779	22.4
566.05212	0.7
582.83923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31297	0.7
55.01867	2.0
56.12968	0.7
57.03451	12.3
59.01379	3.8
65.42779	0.9
71.01390	3.3
72.99334	0.9
73.02958	1.1
74.22506	0.7
83.01398	6.0
85.02959	100.0
86.03290	1.6
87.00875	1.5
103.54714	0.8
106.00563	1.0
111.00893	13.5
111.49403	0.8
117.03471	0.9
121.02982	11.4
123.00906	1.4
125.02430	0.8
129.01962	28.7
133.03033	1.3
134.03755	11.3
137.02472	0.9
138.03140	1.7
147.03008	12.9
149.06108	1.5
153.05612	9.2
160.01663	3.7
161.02440	0.8
165.01939	0.8
173.00961	8.2
175.04036	4.8
175.05327	0.7
178.02711	0.8
179.03589	0.9
191.02013	8.9
193.05096	9.7
197.04565	23.1
209.03070	2.0
223.06174	1.3
240.76488	0.8
261.07663	3.1
265.07260	3.2
323.07678	1.5
327.07352	3.7
367.06946	1.3
371.06287	2.1
385.07849	1.5
389.07169	1.8
521.26068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85829	0.9
54.21075	0.9
55.01878	2.6
57.03447	15.4
57.33484	0.9
59.01367	4.0
66.96162	0.9
69.12153	6.1
69.12490	0.9
71.01379	1.4
75.97810	1.0
83.01382	5.4
85.02956	100.0
86.03292	1.1
89.43810	0.9
91.01890	1.1
98.21918	2.3
109.03548	0.9
111.00896	11.8
121.02966	11.8
123.00893	1.4
129.01952	35.3
134.03752	3.3
138.03278	1.2
147.03011	16.3
153.05569	7.6
157.86765	1.0
160.01613	4.2
173.00916	12.8
175.03976	3.2
182.02246	1.6
191.01991	15.4
193.05045	3.0
197.04558	22.5
204.45152	1.0
209.03036	4.3
323.07739	3.1
371.06076	2.5
389.07001	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	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03453	15.0
59.01408	1.3
70.65765	1.4
70.66100	1.1
71.01389	1.0
72.06754	0.9
83.01383	5.6
84.02203	1.1
85.02959	100.0
86.03343	1.1
87.00874	1.1
87.44975	0.9
106.00610	1.5
111.00888	10.6
117.03495	1.0
121.02968	14.2
129.01959	41.4
134.03755	9.1
138.03230	2.6
147.03020	10.9
149.06059	1.7
153.05597	10.1
160.01642	4.2
173.00926	11.4
175.04076	6.6
178.02788	1.2
182.02197	1.7
191.02002	9.2
193.05118	7.1
197.04568	30.1
209.02997	2.0
261.07681	3.4
265.07114	2.8
288.71170	0.9
309.06366	1.1
323.07721	3.2
327.07227	2.8
371.06046	2.7
385.07886	1.1
389.07251	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	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03451	17.8
59.01372	2.3
59.15843	0.9
69.61750	3.3
71.01406	1.1
83.01386	4.8
85.02956	100.0
86.03358	1.4
111.00891	13.2
121.02969	13.9
123.00838	2.7
127.00395	1.2
129.01953	36.3
134.03758	12.4
138.03181	2.2
147.03006	10.6
149.06067	3.0
153.05605	11.5
160.01688	5.7
173.00917	7.9
175.04028	7.0
178.02771	1.6
182.02196	2.5
191.02008	7.9
193.05072	8.1
197.02821	2.0
197.04564	26.2
222.28307	0.9
261.07736	2.2
265.07239	3.0
323.07742	2.5
327.07101	2.0
371.05984	3.3
389.07001	1.4
410.18076	1.0
465.91504	1.2
497.06720	1.1
540.27283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03453	16.0
59.01369	2.0
62.95184	0.7
65.40169	0.9
69.03519	0.7
69.68619	2.6
71.01415	1.5
83.01385	3.4
84.02165	1.2
85.02957	100.0
99.44057	0.7
111.00901	10.9
118.06224	0.7
121.02950	6.7
123.00919	0.9
129.01956	38.0
134.02737	1.1
134.03749	19.7
137.02434	1.0
138.03200	1.7
139.00316	0.9
139.04007	0.9
147.03001	8.8
149.06100	2.6
153.05595	7.2
160.01666	1.2
166.02634	0.7
173.00909	5.8
175.03973	3.1
175.35223	0.7
178.02791	0.9
182.02203	2.2
191.02014	9.4
193.05061	14.2
197.04561	12.9
209.03088	1.1
261.07822	1.5
265.07245	4.2
294.06738	0.8
327.07193	3.0
334.62115	0.8
348.56830	0.7
348.61142	0.8
371.06281	1.5
385.07816	1.0
385.77017	0.7
389.07227	1.0
491.43204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89310	0.7
53.31295	0.7
55.01877	2.8
57.03453	18.8
59.01380	4.3
69.83694	2.4
69.84035	0.8
70.24137	0.7
71.01387	2.2
72.99300	1.0
73.02960	0.9
75.00855	0.8
75.94498	0.7
83.01384	3.9
85.02959	100.0
86.03320	1.2
87.00867	1.3
98.21938	1.3
101.02463	0.8
103.00361	1.4
111.00901	9.6
115.33302	0.7
117.03472	0.8
121.02966	7.6
123.00867	1.8
123.13984	0.7
129.01955	28.6
134.03761	13.4
138.03235	2.3
139.00385	0.9
147.03021	12.9
149.06110	1.6
153.05597	5.2
160.01677	1.2
166.99887	1.2
173.00958	6.4
175.04039	1.9
182.02205	2.8
191.01993	24.3
193.05048	6.3
197.04567	11.0
209.03027	4.3
222.05382	0.8
265.07242	2.8
280.97614	0.8
327.07144	2.8
366.48361	0.8
371.06076	1.7
389.07211	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	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68128	0.8
52.39751	0.8
55.01875	1.9
55.12176	0.9
57.03448	15.4
59.01378	1.9
69.61350	2.8
71.01379	1.7
73.42551	0.8
79.24158	0.8
83.01389	4.9
84.02158	0.9
85.02956	100.0
86.03288	1.3
98.21864	0.8
101.02464	1.2
106.00581	1.6
111.00887	13.7
117.03491	1.1
117.77631	0.8
121.02961	12.6
123.00908	1.4
129.01955	40.5
134.03748	12.7
138.03200	3.1
147.03006	10.8
149.06075	1.7
153.05574	9.3
160.01616	4.4
166.99831	0.9
173.00938	9.1
175.03972	4.4
178.02786	1.4
182.02197	2.6
191.01994	7.9
193.05096	8.6
197.04573	22.8
209.02979	1.6
212.58876	0.9
261.07678	2.6
265.07245	2.4
291.56583	1.0
323.07553	2.3
327.07184	2.8
371.06186	2.4
385.07904	1.4
389.07291	2.2
515.87189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46459	1.2
55.01866	2.2
57.03450	14.0
59.01373	4.0
68.17825	1.1
71.01386	2.8
83.01395	2.3
84.02177	1.5
85.02958	100.0
86.03275	2.1
87.00925	1.4
111.00880	8.3
121.02973	11.7
129.01959	26.8
129.16539	1.1
134.03767	6.6
138.03238	2.2
147.02997	14.0
149.06158	1.6
153.05557	6.9
160.01675	2.8
164.04761	1.8
165.01955	2.8
173.00916	7.4
173.02170	1.3
175.03975	3.6
182.02348	1.6
191.01973	12.4
193.01433	1.1
193.05057	3.3
195.06577	1.5
197.04570	21.0
209.03114	2.0
223.06168	5.8
225.07619	2.5
238.41319	1.2
254.81703	1.2
261.07706	1.8
265.07065	1.4
327.07193	2.7
371.06146	2.7
389.07294	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	565.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.4
61.98832	9.1
69.25406	10.5
71.01393	10.0
73.02975	10.1
73.15368	1.8
75.06149	1.6
83.01408	3.4
84.55833	1.8
85.02953	8.5
89.02462	5.0
94.75044	1.7
96.96055	2.4
98.21912	4.0
101.02462	16.2
113.02454	8.5
119.03555	2.3
135.04488	3.5
143.03526	2.4
149.64270	1.8
155.10796	100.0
156.11137	2.5
161.04535	4.6
167.03580	1.8
197.11890	5.2
203.05682	3.4
216.10487	1.8
229.23183	2.1
286.26691	2.1
291.42416	2.1
346.24014	2.2
512.16388	2.4
535.18713	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	565.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08452	0.6
58.02978	1.3
59.01375	2.0
63.55954	0.5
66.03519	0.6
69.89304	1.3
69.89631	0.7
70.02980	3.2
71.01365	1.0
73.04073	0.7
81.02194	2.6
82.03007	1.6
82.06636	3.5
82.95527	0.6
84.08217	1.2
85.02950	4.0
91.05547	0.7
96.00922	31.0
97.01241	0.6
98.02489	26.8
99.05653	12.5
109.01720	4.1
111.00888	0.8
114.01965	1.0
116.05048	0.9
118.06670	1.2
129.01979	1.0
130.08751	19.9
131.05060	5.5
138.09258	10.2
141.06728	8.6
147.05980	3.6
151.51498	0.7
161.03578	2.1
165.10384	1.2
166.08749	1.4
167.08362	0.7
168.09041	1.9
171.05914	0.7
174.05603	1.2
189.07048	15.5
200.07222	5.6
204.09027	3.2
216.13974	9.9
221.09314	0.6
222.10309	0.8
243.07674	1.1
244.06160	2.2
259.14584	4.2
260.10269	1.1
260.12872	9.5
269.16635	2.5
270.15103	0.7
277.15567	1.9
295.14594	3.0
295.17978	0.6
313.15665	1.7
357.14581	100.0
358.14923	4.1
375.15536	2.6
434.14371	1.0
547.22345	38.7
548.22943	3.0
565.23596	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	565.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15276	0.7
59.01385	1.9
65.29688	0.7
69.94418	1.8
71.01364	0.7
74.02480	3.2
82.02986	3.2
84.04550	6.9
85.78815	0.7
86.02499	0.9
89.02457	0.8
98.22497	1.1
104.72055	0.6
107.25925	0.7
113.02409	1.0
114.09212	1.3
127.08775	2.1
128.03564	4.5
128.10786	1.3
129.11258	0.9
153.10306	1.1
154.08746	1.0
155.11946	2.3
156.10295	1.1
157.13469	3.0
183.11401	26.6
190.89630	0.7
195.66373	0.8
200.09277	1.8
201.12462	100.0
202.12807	1.4
230.80551	0.7
234.53029	0.7
477.14703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33036	100.0
70.33367	83.2
84.57946	52.2
88.23456	54.6
98.21053	60.0
116.86297	56.2
211.90724	50.2
293.21146	60.2
370.61835	57.1
572.56079	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81438	25.0
71.66103	7.5
78.95904	95.0
87.80607	7.2
94.92514	29.6
97.71044	7.3
98.22578	14.6
99.92604	21.5
110.98524	15.2
114.12431	8.1
115.92067	8.7
120.47466	8.2
123.22237	7.7
141.11017	7.2
152.99643	10.9
163.89697	8.6
167.95702	7.6
178.88489	19.6
179.78552	7.2
179.89236	18.2
180.39297	6.7
181.90820	21.8
193.90773	90.5
195.92363	13.4
196.89575	14.8
215.17358	7.6
249.53545	8.2
249.93402	17.3
250.41560	7.4
255.23311	11.3
256.23883	9.5
279.23444	16.4
441.58127	9.7
530.17389	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	565.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99352	8.4
64.70480	8.4
70.89998	10.7
76.41479	8.8
78.95909	76.3
81.20393	8.3
85.57143	7.9
94.92519	71.9
99.92564	16.0
151.53493	7.8
158.55377	9.7
178.88472	14.2
179.89241	12.7
193.90753	47.7
195.92322	8.8
196.89537	12.4
197.11269	10.4
255.23387	21.9
279.23401	24.4
334.15857	8.6
483.27386	24.1
530.17419	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	566.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19971	0.1
51.06851	0.1
57.72073	0.1
61.98834	100.0
63.55680	0.1
69.43214	0.3
69.43605	0.4
76.67873	0.1
88.69674	0.1
98.22279	0.6
100.11105	0.1
111.74516	0.1
126.96493	0.2
193.37349	0.1
238.00853	0.1
464.29007	0.2
566.15771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
57.03448	2.7
59.01385	44.1
61.98835	100.0
71.01380	8.1
71.90182	0.8
73.02935	2.7
83.01420	1.5
85.02958	13.7
86.03286	0.8
87.00864	0.8
89.02455	2.2
98.21911	2.6
101.02431	5.6
110.30517	0.8
111.00887	1.7
113.02458	4.9
120.88879	0.8
129.01958	2.4
134.03763	1.4
147.03038	1.2
161.02425	1.9
161.04611	1.6
179.03596	1.1
191.01987	1.2
197.04663	0.9
209.02902	0.9
328.10870	1.1
387.31384	1.0
399.23917	17.0
400.24411	1.1
417.25110	8.9
449.27582	1.3
450.27847	3.0
459.25720	1.7
505.33844	2.4
506.34293	5.1
520.01263	1.0
524.35883	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	8.7
59.01385	100.0
61.98832	90.2
71.01394	23.2
73.02958	9.1
78.63574	2.2
83.01384	3.8
85.02955	43.8
85.34513	2.0
86.03318	4.4
89.02458	5.3
95.01409	2.7
100.11342	2.0
101.02434	14.7
103.14375	2.2
104.90646	2.2
106.22393	1.9
111.00879	6.1
113.02453	13.5
119.03489	3.0
119.88555	2.2
121.03013	2.4
121.94313	2.0
125.02529	2.5
129.01941	10.8
133.02902	3.9
134.03729	3.2
135.04533	4.2
135.39946	2.4
147.03041	3.6
148.06320	2.1
161.02449	7.0
161.04623	3.7
173.00989	3.8
191.01973	7.7
193.05002	2.4
197.04662	3.4
199.09665	3.0
205.05116	2.7
209.03104	6.2
399.24002	16.6
459.25961	3.0
505.33511	12.5
506.34268	16.2
523.35059	2.9
524.35040	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	566.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61442	0.4
53.91783	0.4
59.01366	0.8
61.98816	0.6
69.33188	2.1
78.95914	6.5
96.90239	0.4
134.99434	0.4
152.99628	2.7
162.90942	0.4
180.04305	1.2
196.38429	0.4
236.06889	0.8
254.08023	1.7
279.23312	100.0
280.23706	9.9
280.26758	0.4
281.24017	0.8
326.55444	0.5
384.43707	0.4
505.31082	2.8
506.31732	0.5
516.30975	32.1
517.31244	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	566.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52444	0.7
60.33291	0.6
65.86844	0.8
69.07214	0.7
69.98839	0.9
69.99161	1.6
73.93627	0.8
78.95911	26.8
94.51469	0.8
96.96016	7.1
98.21943	1.4
98.22546	1.3
106.96452	0.7
130.26596	0.7
152.99629	9.2
179.89276	1.2
180.04272	1.4
193.90816	3.0
196.89485	1.5
224.06834	1.1
236.06921	7.6
254.07901	2.2
263.27499	0.8
277.53192	0.7
278.22177	1.1
278.73007	0.8
279.23325	100.0
280.23663	14.5
281.24002	1.6
344.14813	0.8
505.31216	6.5
505.81625	0.9
506.31400	1.4
511.63831	0.7
516.30994	60.0
517.31580	2.8
528.15961	2.7
552.82074	0.8
578.45422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	63.3
61.98838	0.9
62.21087	0.6
78.95909	27.8
92.64500	0.7
94.48438	0.6
96.96017	13.6
96.96965	1.3
99.92596	1.5
110.98520	1.2
152.99605	8.5
155.95190	1.0
178.88463	1.0
179.89175	1.3
180.04330	1.7
181.90694	0.8
186.04143	0.7
189.72845	0.7
193.90796	4.0
194.05927	1.1
194.91652	0.8
195.92336	0.8
196.89450	1.6
217.32895	0.8
236.06973	5.9
249.93422	0.9
254.07997	1.7
255.23322	100.0
256.23700	3.3
277.21786	1.0
278.22253	1.0
279.23111	1.0
289.38321	0.7
321.12878	0.8
409.23883	0.9
492.31006	50.9
493.31284	2.3
508.27405	1.2
516.30176	0.7
528.15857	6.5
529.16235	0.8
530.16083	2.1
566.34528	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	567.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03449	10.1
59.01380	6.6
61.98829	0.7
64.33788	0.5
65.85881	0.6
71.01386	4.3
71.42242	0.6
72.99297	0.9
73.02957	1.1
75.00857	0.7
78.38245	0.6
81.06110	0.5
83.01402	3.8
83.05023	1.0
84.02174	1.4
85.02953	100.0
86.03294	1.5
87.00880	1.2
89.02457	0.9
99.00891	0.8
101.02454	2.0
103.50635	0.5
111.00903	7.3
113.02441	0.7
115.00371	0.9
117.03499	0.8
129.01958	16.8
133.01421	0.8
133.02956	2.1
134.03763	8.1
135.04532	1.5
137.02472	0.6
137.09727	7.7
147.03001	10.0
149.06079	0.9
155.10791	7.8
157.54091	0.6
160.01724	1.1
161.02429	2.3
173.00935	7.1
175.04013	1.7
179.03549	1.0
181.08719	2.6
191.01974	11.3
193.05070	6.9
199.09735	8.9
203.79823	0.6
209.03027	10.5
239.92491	0.6
261.07657	0.9
267.12469	1.0
295.75549	0.6
323.07761	1.6
329.12311	1.9
367.06744	1.5
369.23581	0.5
373.11295	3.8
391.12558	9.5
399.77243	0.6
405.17697	1.1
410.62164	0.6
481.66028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.89630	0.6
57.03454	11.6
59.01382	18.8
60.23442	0.7
68.99806	1.2
69.65255	1.7
69.65633	1.2
71.01388	14.1
72.99318	2.1
73.02953	2.5
73.16499	0.6
75.00881	2.3
83.01395	2.8
84.02176	1.4
85.02959	93.7
86.03328	0.9
87.00878	1.4
89.02453	4.4
89.50546	0.5
97.02972	0.7
99.00898	1.1
101.02455	2.6
103.00368	1.8
105.01833	0.7
111.00896	5.3
113.02428	0.7
115.00394	1.8
121.02957	3.8
129.01953	9.6
133.01425	4.6
133.02930	0.8
134.03761	2.9
135.04520	1.2
137.02493	0.6
137.09662	1.0
147.03023	7.2
155.10788	2.2
157.51595	0.6
161.02452	1.3
173.00906	3.4
175.04053	0.9
191.01996	32.4
192.02188	0.8
193.05116	1.5
199.09833	1.3
209.03044	100.0
210.03438	1.1
281.86600	0.6
323.07922	0.9
373.03915	0.6
373.11322	0.8
391.12439	2.2
498.06442	0.6
506.33890	1.1
567.19824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99218	0.9
55.01872	1.5
56.27245	0.8
57.03436	1.2
59.01384	100.0
61.98850	1.4
63.95678	0.8
69.36758	2.3
69.37154	1.3
70.65240	0.8
71.01386	35.6
72.99308	1.3
73.02944	2.1
83.01385	2.0
85.02959	12.7
87.00891	1.4
87.63611	0.8
89.02454	44.6
95.01411	3.5
98.22610	2.1
99.00890	2.4
101.02451	20.7
111.04522	1.5
113.02455	18.3
119.03514	21.5
121.02946	3.6
122.03779	0.9
125.02434	1.6
129.01942	1.6
131.03532	3.1
137.06073	2.6
137.64612	0.8
138.03262	2.0
139.04024	9.4
139.97391	0.8
143.03470	4.1
149.04576	2.0
159.02875	0.9
161.04567	15.5
161.64941	0.9
165.05591	10.8
179.05617	18.1
197.04504	1.1
242.47501	0.9
247.08244	2.7
301.09280	4.4
345.11935	6.0
346.16757	0.8
507.17224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77747	1.2
57.62141	1.1
59.01384	100.0
64.50853	1.1
69.61395	4.5
71.01389	59.8
72.99313	1.9
77.49968	1.3
83.01392	1.6
85.02948	8.7
87.00888	2.1
89.02453	74.6
95.01377	3.3
101.02454	26.3
113.02465	22.2
119.03510	31.1
121.02965	3.6
122.03816	1.2
126.21619	1.1
131.03503	4.0
137.06039	1.6
143.03500	6.2
149.04576	2.1
161.04639	7.6
161.05807	2.2
165.05569	11.3
179.05624	35.1
179.07190	2.3
293.81461	1.3
345.12003	2.4
583.10864	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	567.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27048	3.7
59.01085	6.4
59.01383	100.0
62.18823	3.4
68.99809	14.1
69.30264	12.5
69.30669	11.6
70.53433	4.1
71.01391	66.7
73.02944	9.5
76.68906	3.5
85.02955	95.6
87.00861	7.1
89.02444	76.0
95.05035	6.9
96.84756	4.1
97.02911	8.8
98.22623	7.2
101.02449	55.8
113.02463	25.9
119.03513	21.7
121.02974	5.9
121.06574	9.6
122.03747	18.5
125.02447	11.9
127.70167	4.4
131.03542	7.2
137.06082	32.7
139.04033	36.9
143.03488	12.9
161.04558	20.4
165.05574	83.5
179.05624	98.0
183.06633	58.3
221.06639	45.6
323.09888	12.1
507.17197	46.7
525.19177	4.1
574.72620	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	567.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.73056	1.4
69.67568	5.7
71.01386	50.0
72.99302	2.1
75.20857	1.6
80.72498	1.5
85.02956	9.4
86.70198	1.5
87.00919	2.2
89.02451	75.0
92.27183	1.5
95.01405	3.9
95.98418	1.6
97.02979	3.1
99.00861	1.8
101.02445	28.5
112.46848	1.7
113.02457	23.3
119.03519	22.2
121.02968	57.2
125.02455	3.7
131.03467	3.9
137.06120	3.6
143.03503	8.3
145.78824	1.8
147.04543	7.8
149.04460	1.7
157.05090	2.2
161.04604	9.3
161.05862	2.4
164.76967	1.7
165.05533	9.7
179.05646	37.3
179.43185	1.5
183.06673	2.1
221.06645	2.0
301.09274	8.6
327.10858	16.3
345.11868	1.9
507.17361	10.0
525.17792	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	567.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03451	6.5
59.01385	100.0
60.31944	1.0
67.01878	4.0
69.03456	2.4
69.21230	3.3
69.21641	3.0
71.01386	29.1
73.02951	64.5
75.00877	2.0
83.01400	11.7
85.02959	54.8
87.00893	3.6
89.02441	7.6
93.07095	2.5
95.01402	2.8
95.05028	8.4
97.02966	1.2
99.00906	1.3
101.02451	41.8
109.06601	2.1
111.00885	4.3
113.02456	17.2
119.03508	4.5
125.02412	1.2
127.07679	1.8
129.01950	7.9
131.03535	3.1
133.58949	1.0
134.03764	3.5
135.08180	2.4
137.09726	3.3
139.03943	1.4
141.01965	1.1
143.03532	3.1
147.02975	3.3
147.08244	1.6
149.04565	2.5
150.06885	20.2
151.07602	3.7
155.10811	1.8
157.06665	1.4
161.04579	8.0
163.07626	3.1
173.00914	1.1
174.06892	1.2
175.07660	7.8
179.07176	1.9
179.95944	1.0
191.01996	8.2
193.05150	3.2
193.12381	1.6
199.09789	2.9
200.53647	1.2
202.06435	2.4
203.10855	2.0
205.08723	1.7
205.12332	3.6
213.09134	1.6
216.07970	1.2
221.06789	1.6
231.10271	66.5
232.10690	2.0
235.09804	4.8
247.09567	1.3
249.11354	12.2
315.15735	2.0
325.12860	1.6
327.15985	9.0
345.17178	2.6
367.07220	1.1
373.11359	1.5
391.12289	3.5
468.20023	14.5
489.21423	6.1
507.22070	3.3
520.08948	1.3
549.23340	9.8
567.24127	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	568.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.2
59.01370	7.5
61.20673	1.5
61.98833	3.5
67.01913	2.9
69.03454	1.7
69.41421	3.1
69.41825	6.5
71.01382	5.4
72.04551	9.5
83.01389	2.1
85.02962	24.9
89.02439	3.9
93.03474	19.2
99.00906	1.7
111.00826	2.0
111.04522	5.4
121.02948	2.6
121.23729	2.0
127.03999	2.4
129.01952	8.5
134.03781	2.5
135.04544	49.0
137.02455	5.2
140.10806	2.3
142.12387	62.6
147.02997	3.2
153.05586	2.0
155.03479	6.1
161.02452	5.0
168.10327	28.3
170.11893	27.1
173.04562	78.5
176.74605	1.9
179.03517	55.6
180.03793	2.3
191.05634	73.6
197.04564	7.7
214.10866	100.0
215.11137	2.2
222.20100	1.8
265.07318	2.0
353.08795	72.7
354.09473	1.8
389.07681	1.9
478.62769	2.0
480.27917	1.8
503.63861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13888	1.1
61.98847	1.4
62.58696	1.3
67.38112	1.2
78.95908	23.5
84.30718	1.1
85.00460	1.5
111.78515	1.1
134.19286	1.3
138.39034	1.4
152.99577	3.2
168.04326	3.0
202.51935	1.1
224.06963	8.3
242.08022	1.9
281.24792	3.1
282.25439	1.5
293.24902	100.0
294.25134	4.7
339.41635	1.3
493.20105	1.2
518.32538	71.7
519.32745	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	569.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03179	0.8
57.03452	14.1
59.01380	2.5
61.05935	0.7
65.27594	0.6
67.01890	0.7
69.44205	2.1
69.44605	1.5
71.01394	1.1
75.00803	0.8
78.01068	0.7
83.01393	4.5
84.02163	1.2
85.02955	100.0
86.03302	1.2
89.00351	1.1
92.81559	0.7
101.02468	1.0
106.00613	1.3
111.00883	10.2
121.02965	19.2
123.00882	2.6
129.01952	52.0
138.03235	4.3
139.00404	1.5
139.04137	0.8
147.03015	10.1
153.05588	14.8
166.99928	1.9
173.00946	9.7
179.03545	1.0
182.02205	5.2
191.01984	6.9
197.04564	36.7
209.03139	1.6
211.06165	1.0
237.07748	1.3
265.07190	9.0
270.42010	0.7
327.07312	6.8
371.05981	4.3
389.07114	4.7
395.31625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62759	0.9
55.01878	2.5
57.03453	14.2
57.55100	0.7
59.01391	8.1
61.98819	0.7
70.31158	0.8
71.01394	4.4
71.37975	0.7
72.99287	1.2
73.02959	2.0
83.01400	5.8
84.02187	1.2
85.02958	100.0
86.03303	3.2
87.00898	2.0
87.03418	0.9
89.02450	2.1
96.96034	6.5
101.02464	2.0
110.75695	0.8
111.00894	8.3
113.02483	1.7
119.03452	0.9
121.02974	11.0
123.00883	2.7
129.01953	19.8
130.02293	1.0
131.02417	1.3
133.02963	5.0
134.03752	1.6
135.04546	2.4
137.02444	1.1
138.03238	2.8
139.00415	1.8
139.04002	1.2
147.03014	11.3
153.05595	8.5
161.02449	5.7
166.99971	1.3
171.10292	2.3
173.00923	6.8
179.03528	2.7
182.02229	3.1
191.02020	8.9
194.05516	0.9
197.04579	22.7
198.04927	0.8
209.03044	2.1
211.06206	1.2
237.07915	0.9
265.07135	7.0
327.07251	4.5
328.07315	0.8
340.65195	0.8
371.06433	1.3
389.07309	2.4
397.13617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
59.01389	11.1
61.98836	5.0
66.56065	1.5
69.03471	2.3
71.01389	7.0
71.38496	2.0
71.56660	1.5
74.99385	2.2
85.01475	3.1
85.02964	20.1
89.02464	2.2
92.94387	1.6
97.02959	9.4
98.99397	5.6
101.00974	5.5
101.02448	2.6
102.98886	3.7
111.00885	2.9
116.99765	1.5
117.00459	9.1
119.03570	1.8
121.03000	5.1
125.00970	12.2
125.02441	2.6
126.98877	8.4
127.02546	2.1
129.01970	6.5
137.06133	1.4
139.02565	3.7
141.00449	26.9
143.02080	3.2
147.04532	2.3
151.02571	3.0
153.00462	10.9
153.05527	2.1
155.02046	5.9
155.97787	1.5
156.98434	4.2
157.03578	1.8
165.00496	2.4
165.05501	1.6
167.01991	9.6
168.99899	3.6
173.00908	1.5
177.04111	2.0
179.00557	2.0
179.02011	2.3
179.05606	3.3
179.94507	1.6
180.98459	14.7
181.03598	3.7
183.00067	2.0
183.01462	8.2
195.01544	4.8
197.04623	5.2
198.99527	7.7
201.02629	3.0
205.03609	7.4
207.00021	4.6
208.97861	1.8
221.01418	2.9
222.99498	76.6
223.99626	3.7
225.01007	4.2
226.99077	3.2
237.01028	2.7
239.02742	2.7
241.00475	12.7
242.00543	2.0
243.03658	9.0
245.01630	2.9
246.99556	3.1
247.04936	2.3
249.01009	11.5
261.01022	2.9
263.02612	10.8
265.00577	7.6
267.02075	5.5
269.01822	3.2
273.00903	2.9
275.02673	2.6
279.02078	1.8
281.03680	2.0
283.01654	22.2
287.02585	11.5
291.02173	5.2
293.03680	2.5
295.01569	2.6
303.02206	3.4
305.03656	6.4
309.03293	2.1
317.03635	2.1
325.02658	2.6
329.03690	23.7
331.05249	3.4
341.03375	1.8
343.03687	5.3
347.04651	8.6
351.04230	5.2
365.05832	3.6
369.26834	1.6
385.04855	25.1
386.05127	1.6
389.06052	1.8
407.06866	4.8
425.08432	1.9
427.10907	3.9
449.07764	11.5
467.08972	65.4
468.09369	5.9
509.10040	53.9
510.10318	5.1
527.11139	100.0
528.11389	6.1
569.12250	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	569.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.8
57.03452	13.7
59.01381	7.3
61.98829	2.4
71.01392	2.5
72.99321	0.9
73.02976	2.1
75.00884	1.0
76.15297	0.8
76.64509	0.7
83.01383	3.2
84.02206	1.4
85.02956	100.0
86.03278	1.2
87.00876	2.0
87.69529	0.8
89.02441	1.4
96.96022	3.7
99.04519	7.0
101.02460	2.5
103.00416	0.8
111.00896	7.5
111.04562	1.1
113.02493	1.3
121.02969	3.1
121.06528	0.8
123.00918	0.9
128.03506	0.8
129.01953	19.6
133.02992	1.7
134.03777	6.8
135.04530	3.0
147.03009	6.5
149.06204	1.3
153.05663	2.0
159.02997	1.6
160.01762	1.6
161.02457	3.2
167.07149	1.6
173.00908	8.8
175.04001	2.9
178.02765	1.0
179.03519	2.7
183.10216	1.9
186.04785	0.8
191.02010	14.6
193.05072	9.0
197.04533	5.8
201.11325	5.9
209.03055	1.0
265.07333	1.1
306.07516	0.9
323.07874	1.7
327.07056	1.3
331.13898	2.7
367.06467	1.0
375.12946	2.9
385.11517	1.3
393.14096	8.0
458.48038	1.1
509.62280	1.0
569.22821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10612	1.1
59.01385	19.2
63.95823	1.0
65.00329	1.7
71.01386	9.7
73.02962	2.4
78.01113	1.4
81.03447	4.1
83.01381	3.0
83.05030	15.3
85.02956	13.8
87.00891	2.3
89.02461	1.5
93.03471	2.1
95.01392	2.8
96.96017	3.8
97.03011	2.0
99.00871	2.8
101.02433	7.0
108.02216	1.2
109.02968	5.4
111.00894	2.3
113.02458	7.2
115.00441	1.4
119.05045	1.8
121.02980	13.6
121.06641	6.1
122.00098	4.4
123.00896	11.0
123.04543	5.6
125.02460	1.3
125.99610	1.5
129.01950	2.2
133.01410	3.2
137.02449	42.9
138.03253	7.1
139.00381	4.2
149.06091	6.0
153.01955	2.2
153.05571	14.9
155.03506	9.0
161.02469	2.6
165.01949	2.4
166.99867	7.9
167.07137	2.5
168.00641	1.9
180.04266	1.3
181.01445	48.1
182.02217	16.6
183.03008	4.4
193.05132	2.0
196.03764	6.0
197.04565	45.2
198.04910	1.3
211.06062	2.0
224.03265	1.4
225.03952	1.6
239.05620	5.0
262.86957	1.2
284.55481	1.2
311.04086	9.5
326.06464	48.0
327.06921	1.7
341.08780	72.4
342.08875	2.3
379.91638	1.2
494.14600	2.1
509.16669	81.9
510.17087	5.6
523.34637	1.3
544.12427	1.2
569.18793	100.0
570.19336	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	569.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73749	4.6
59.01387	100.0
70.86243	4.6
70.86578	3.9
71.01389	49.3
85.02966	18.8
89.02456	84.3
101.02448	21.7
111.00875	5.3
113.02467	18.7
119.03506	14.8
129.01923	9.8
131.03511	7.0
143.03499	11.1
149.06081	8.7
150.12183	4.6
161.04497	9.7
179.05612	39.4
197.04591	5.4
216.43684	4.2
253.71523	4.1
384.03110	4.1
453.33008	4.2
509.18823	27.8
569.19354	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	569.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71128	1.0
69.12703	4.4
69.13108	1.8
73.87936	0.9
75.11097	1.1
80.91695	1.6
167.70076	1.0
374.92499	1.1
409.31180	2.4
448.33646	1.1
487.34317	100.0
488.34741	7.4
514.15161	1.2
569.34613	64.2
570.34991	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	570.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09253	0.5
57.03442	0.8
59.01387	2.1
61.98834	100.0
66.65477	0.6
79.91077	0.6
81.82038	0.7
85.02973	2.8
96.23363	0.6
98.21861	2.0
101.02472	0.7
109.03016	1.3
129.01938	0.9
134.03801	1.6
135.04597	0.8
140.17509	0.6
142.42706	0.6
143.04654	1.1
144.47150	0.8
147.04535	5.4
149.06119	3.4
162.03256	0.6
171.08276	0.7
176.04889	2.5
177.05562	3.5
200.08504	0.9
202.06468	0.9
213.09270	1.3
214.06538	0.9
226.06393	1.3
229.08766	0.8
241.08737	3.2
244.07436	1.4
259.09756	40.5
260.10117	1.6
271.43051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67957	0.5
53.96039	0.5
59.01377	1.7
60.83868	0.5
61.98835	100.0
70.10017	0.9
85.02958	3.5
96.96046	1.8
129.01947	1.1
137.06131	0.6
147.04507	3.7
149.06120	2.8
162.03273	0.6
171.00691	0.5
176.04834	2.2
177.05618	3.4
197.09750	0.7
213.09152	0.9
214.06557	0.7
226.06352	1.1
241.08730	3.5
242.09526	0.6
244.07416	1.2
259.09781	30.7
260.10205	1.1
320.36761	0.6
354.75333	0.6
516.29193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16669	6.0
54.09065	5.8
59.01365	17.1
61.98838	68.5
69.04849	17.8
69.05269	24.8
69.57030	5.7
72.38557	5.8
73.02961	6.9
99.54276	6.2
148.00352	5.9
153.47458	6.5
177.05663	8.6
206.49335	7.3
213.09248	14.7
220.81100	6.1
226.06328	10.3
231.10211	19.8
241.08711	100.0
259.09732	80.8
272.74802	6.9
334.09973	6.1
338.29260	7.7
346.16644	6.5
463.16049	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	570.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
59.59660	1.0
61.42657	1.0
61.98835	100.0
62.09208	1.3
69.32923	2.1
69.33309	3.2
71.01374	1.7
73.02945	1.5
98.21904	2.0
109.02988	4.4
109.69318	1.2
133.03012	1.3
134.03719	1.6
135.04533	2.5
147.04504	1.3
162.03201	1.5
175.04039	5.8
175.05386	1.1
176.04814	5.2
177.05608	3.0
184.08998	1.3
197.09741	1.9
199.07727	2.1
204.04295	1.6
212.08513	5.3
213.09167	4.1
223.07655	6.1
225.05328	1.2
226.06351	8.5
229.08693	1.7
231.10240	4.6
240.07864	6.3
241.08716	43.5
242.09125	1.6
257.11896	1.3
258.08957	23.3
259.09753	33.6
260.10104	1.6
279.05093	1.3
283.09637	1.2
463.16153	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	570.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01380	2.6
59.34800	0.3
61.98835	100.0
69.27239	0.4
70.75939	0.7
71.01397	1.5
85.02956	3.4
89.02472	1.4
90.02763	0.4
93.59618	0.3
101.02477	0.8
111.00908	0.4
113.02492	0.6
119.03548	0.4
121.02995	0.6
129.01973	1.7
135.04561	0.4
142.06650	0.4
147.02975	0.4
161.02519	0.6
179.03555	0.4
179.05647	0.6
197.04636	0.5
218.81190	0.4
570.18823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23841	0.4
59.01375	1.0
61.98836	100.0
65.65657	0.4
71.01380	0.6
85.02962	1.8
85.76081	0.4
96.96042	0.8
115.00411	0.6
129.01915	0.5
161.02493	0.5
207.84399	0.5
250.54939	0.5
275.32330	0.5
285.22043	0.4
290.24799	0.4
299.40482	0.4
551.41931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41700	2.0
59.01384	14.4
61.98819	4.3
69.03478	9.3
71.01383	10.2
81.03461	3.4
85.02952	15.4
86.61501	2.1
87.00869	3.8
89.02452	6.8
92.60894	1.9
93.03460	2.5
95.05003	2.7
96.95992	5.7
97.03014	2.7
101.02446	3.9
107.05094	2.0
108.02224	2.3
113.02431	7.6
119.03477	4.3
121.06604	6.2
123.04514	26.7
129.01913	3.5
137.06096	2.6
149.06081	16.3
164.29373	1.8
167.07137	29.1
193.04961	2.7
211.06131	44.6
245.64873	2.0
371.71814	2.4
373.11432	100.0
535.17169	3.0
535.58417	2.2
571.14612	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	571.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
59.01383	51.0
61.98835	0.7
65.99122	0.6
69.03459	1.6
71.01386	26.1
72.99313	4.1
73.02961	5.1
82.95438	1.0
83.01423	1.3
85.02964	4.6
87.00894	2.8
89.02466	2.8
96.96021	5.8
98.21816	1.2
99.00880	1.1
101.02457	2.4
112.44966	0.6
113.02454	3.1
115.00390	48.9
116.92873	1.6
128.03545	0.8
129.01968	1.1
133.01454	100.0
134.01801	1.6
135.04533	1.9
137.09769	0.8
143.03552	1.0
143.04672	0.7
148.30334	0.7
148.31604	0.7
157.01474	0.7
161.02454	2.1
161.04550	1.5
179.03531	1.3
185.13362	0.8
186.86871	0.7
192.11569	2.4
193.05058	1.4
203.05646	9.2
207.13918	19.1
411.20694	0.9
552.71948	0.7
571.24402	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	571.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
59.01384	100.0
61.98838	1.7
66.72384	0.6
69.29414	2.6
69.29813	1.4
69.99460	0.6
71.01389	21.6
73.02945	3.9
75.87083	0.5
83.01406	1.4
85.02975	5.1
87.00888	1.3
89.02452	22.5
95.01401	0.6
97.50188	0.5
98.22657	1.4
101.02455	13.6
113.02454	9.4
119.03509	11.7
131.03535	1.3
143.03552	3.0
149.04572	0.9
161.04553	7.1
179.03999	0.7
179.05632	7.1
209.01025	0.7
209.89989	0.7
261.11548	0.9
331.19260	3.9
367.24988	0.7
390.64066	0.8
412.21329	2.9
444.20221	1.0
464.20004	0.9
493.24564	15.5
494.25012	1.3
511.25958	1.9
571.28766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
69.81391	1.8
69.81720	1.1
78.95908	66.0
85.12628	0.8
96.96964	17.2
103.01524	1.4
152.99602	69.9
171.00508	1.1
202.15656	0.8
223.00160	2.0
241.01225	33.0
255.23309	75.2
256.23648	2.3
269.10416	1.0
277.21576	1.0
315.04916	9.8
352.95468	0.9
391.22501	8.7
409.23682	1.1
489.59448	0.8
571.28906	100.0
572.28973	5.6
575.48187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78238	0.6
70.74039	0.8
77.94280	0.5
78.95911	64.2
96.96967	14.1
150.97998	0.6
152.99602	55.1
169.03487	0.6
223.00114	2.6
241.01199	31.8
255.23308	73.6
256.23611	2.1
315.04901	9.7
366.18060	0.7
370.55582	0.7
391.22607	7.6
495.01312	0.6
571.28912	100.0
572.28943	5.4
593.28424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92336	1.5
69.05804	11.2
78.95916	12.7
87.40430	1.4
100.74572	1.6
124.30221	1.8
142.13550	1.6
152.99603	11.1
165.30888	1.4
180.75418	1.7
213.14973	1.4
247.17265	1.7
277.21765	100.0
278.22107	4.1
326.49564	1.6
392.71652	1.8
431.21948	2.3
508.31055	1.8
514.29498	26.3
571.31409	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	571.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07227	3.5
60.63083	3.5
78.95914	32.7
96.95988	4.5
118.91179	4.5
139.80278	3.9
150.10162	3.5
151.59322	3.6
152.99576	23.9
182.80682	4.3
218.55638	4.8
231.58847	3.6
236.06906	7.9
267.45700	4.4
277.21753	100.0
305.13528	4.7
328.26495	4.0
431.21997	5.4
514.29510	71.0
528.33923	4.6
571.31219	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	572.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08846	0.2
61.98835	100.0
62.15734	0.2
69.19102	1.1
93.15344	0.3
96.96023	0.4
116.92859	0.5
134.05037	0.2
209.07535	0.2
277.27350	0.2
327.43451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05444	5.9
59.01388	8.6
61.98828	13.0
69.08755	13.5
69.09180	23.9
71.01933	5.3
89.02434	5.7
162.83904	7.0
164.83626	6.5
190.69859	4.9
195.13950	8.6
242.44595	5.5
253.09190	31.3
275.66919	5.5
293.21234	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	572.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.3
63.22694	3.2
69.06679	7.7
69.07085	12.6
73.02933	4.4
85.89278	3.1
89.02418	3.2
101.02471	4.6
134.06512	3.5
152.75372	2.8
161.04628	4.4
180.11557	3.1
195.13901	3.4
223.13464	5.6
229.33926	3.2
253.09268	36.6
275.20148	6.5
293.21259	100.0
294.21506	4.5
294.40353	3.0
443.09915	3.6
543.85455	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	572.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43637	1.9
57.37809	1.9
59.01375	21.1
69.10922	12.8
71.01383	2.2
76.53259	1.9
78.95914	8.9
81.82162	1.8
82.98701	1.7
89.02484	2.7
101.02477	1.9
103.01504	16.4
110.98531	2.7
120.06115	1.9
123.80444	1.7
125.87381	4.1
128.45076	2.5
195.90242	2.4
200.88170	2.2
204.83179	4.8
219.85497	2.1
243.74564	2.0
253.09283	14.9
279.23386	21.3
293.24902	100.0
294.25232	4.4
295.73590	2.2
320.33005	1.8
380.08432	2.0
390.75412	2.2
393.59341	2.1
447.25311	4.2
572.11511	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	572.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19103	2.6
59.01381	28.7
69.10762	16.1
71.01392	3.3
78.95914	7.5
79.94611	2.4
85.00449	3.1
88.49660	3.1
94.70445	2.7
101.02467	2.8
103.01509	23.3
112.32186	2.6
125.87412	3.2
204.83223	3.4
253.09357	12.0
271.21475	2.8
279.23279	38.9
293.24902	100.0
294.25232	3.2
447.25336	6.9
539.93488	2.6
572.12134	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	573.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93365	0.9
57.03454	1.4
59.01384	57.6
61.98836	1.2
69.03457	1.3
69.51976	4.1
71.01384	27.7
72.99314	3.9
73.02943	3.7
77.28105	0.8
83.01379	1.0
85.02971	3.7
89.02471	7.5
96.96017	1.3
101.02438	4.9
109.72067	1.0
113.02480	4.3
115.00386	49.6
116.92870	3.1
119.03526	1.6
125.02419	0.8
131.03479	1.6
133.01447	100.0
135.03023	1.1
135.04581	1.4
143.03555	1.1
161.02502	1.9
161.04559	4.1
179.05656	4.2
203.05624	1.0
216.62715	1.1
221.06717	2.4
313.23599	0.9
346.60104	1.0
351.21756	2.1
375.20273	1.1
413.21753	3.3
473.08286	1.0
544.27649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
56.62774	1.2
57.03453	19.9
57.31707	1.1
58.93856	0.9
59.01384	100.0
61.98841	1.1
67.43822	1.2
69.03473	5.3
69.03820	1.1
70.01829	3.1
71.01389	92.9
72.01721	1.3
72.99321	2.7
73.02953	47.0
74.14307	1.1
75.00881	1.7
76.96867	1.0
78.98221	1.0
81.03458	1.8
83.01395	19.9
85.02960	46.4
86.00090	1.3
87.00888	10.1
87.40173	1.1
89.02454	21.0
90.71577	1.0
95.01382	8.7
96.75490	1.0
97.02961	6.7
98.22552	1.7
99.00888	14.4
101.02453	74.7
111.00895	2.7
113.02460	51.4
115.04028	1.7
115.92083	1.4
116.92873	6.2
119.03504	8.1
125.02453	10.7
127.04037	1.7
131.03481	5.8
133.02988	2.4
134.03630	1.2
135.04610	1.6
137.09769	4.5
140.07271	1.0
143.03506	17.6
149.04564	2.7
149.09679	1.2
151.04050	2.3
151.11223	1.4
159.03015	6.8
161.02446	2.6
161.04573	63.7
179.05614	16.5
189.12822	1.5
192.11581	7.7
196.98257	1.2
203.05595	10.5
207.13910	36.8
208.14413	1.8
221.06671	13.5
245.06779	5.2
249.05882	1.2
249.14995	1.7
263.07715	10.5
305.08667	2.6
323.09796	3.1
411.20132	2.4
435.20181	1.2
513.23450	10.4
531.24500	71.8
532.24792	6.5
573.12323	1.7
573.25598	30.6
574.25690	2.0
578.28247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11773	4.5
52.68614	4.1
56.06370	4.7
59.01384	12.7
71.40998	5.2
78.95908	34.0
79.04786	4.4
79.06361	5.6
104.50619	5.0
126.91634	4.4
132.37801	4.0
140.07918	3.9
142.76291	4.0
146.22861	4.4
152.99536	23.0
154.46477	4.3
236.06773	8.3
243.85921	5.0
277.21738	83.3
278.22266	5.5
279.23334	100.0
351.14389	4.5
358.88861	4.5
433.23608	8.9
486.44662	4.6
505.25760	11.0
516.31104	62.2
573.33008	17.2
575.17438	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	573.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28355	0.9
59.01377	1.4
62.31064	0.9
69.09023	2.2
69.09435	5.1
78.95916	10.0
90.66839	1.0
93.13580	0.9
94.08328	0.9
96.96024	1.0
98.22633	2.1
124.09951	1.3
151.70149	1.1
152.99611	11.7
244.15564	1.1
254.08168	1.4
277.21555	2.5
279.23328	100.0
280.23636	3.9
299.52423	1.2
433.23331	2.0
479.36990	1.1
516.31000	25.3
517.31201	2.2
556.66113	1.2
573.33234	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	573.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73643	0.9
59.01386	18.8
66.68935	1.0
69.14804	1.9
69.15220	5.4
71.01376	2.6
78.95918	2.0
84.31992	0.9
89.02441	2.6
101.02434	3.3
113.02454	1.1
124.46429	0.9
152.99626	1.7
158.72923	1.0
161.04407	1.0
163.67267	0.9
213.07889	0.9
231.34320	1.2
235.08241	1.9
247.71196	1.1
253.09319	17.1
277.21750	100.0
278.22086	5.9
279.23334	15.6
280.23734	1.2
302.89413	1.0
351.09604	1.2
353.22687	1.2
441.08182	1.0
516.30969	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	574.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54512	2.8
59.01382	38.5
61.98834	82.8
71.01387	13.7
71.86949	2.9
73.02946	16.1
73.08317	2.7
85.02956	7.1
87.00894	3.0
87.82747	2.6
89.02443	6.3
97.08135	2.6
99.04563	2.4
101.02451	11.0
107.05033	29.3
109.02961	9.0
113.02438	5.3
133.06587	4.1
135.04523	5.0
135.08186	10.4
135.38208	2.5
139.07660	2.9
151.07669	4.7
152.97479	2.6
161.02428	5.7
161.04715	4.4
161.06068	22.4
163.07625	3.5
179.03574	3.0
189.05591	6.5
193.42912	2.6
209.09689	6.2
211.07608	4.1
217.12378	20.0
227.10815	100.0
241.19836	2.5
245.09540	4.8
245.11855	31.1
249.70483	2.6
263.12930	12.5
264.09900	3.0
281.10611	7.7
282.10931	5.3
313.34137	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	574.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76168	0.2
52.80874	0.3
59.01377	3.5
59.64117	0.3
60.01719	0.5
61.01807	0.4
61.98834	100.0
69.45692	0.5
69.46097	0.9
71.01394	0.8
77.44406	0.2
79.52464	0.3
85.02991	0.5
85.72781	0.3
89.02448	0.4
101.02470	0.6
125.61262	0.3
141.01772	0.2
161.02475	0.3
190.18263	0.3
496.25549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.6
69.04207	1.4
69.04616	3.2
71.01392	4.3
72.99304	0.6
73.02959	6.5
78.95879	0.6
83.01386	1.6
83.32901	0.6
85.02964	2.9
89.02449	1.6
92.91816	0.6
101.02447	5.5
107.87201	0.6
113.02444	3.2
115.00407	1.1
119.05065	1.3
133.01453	1.3
133.02948	1.2
134.03752	0.7
135.04558	1.5
138.74802	0.7
145.02980	2.0
158.09242	0.6
159.03049	1.0
161.02586	1.5
161.04617	1.1
173.91170	0.7
179.03523	1.3
193.05084	0.8
195.08162	2.2
207.08203	3.9
208.08879	0.9
209.06111	0.9
222.06935	0.8
223.07756	3.1
233.06300	0.9
234.06839	1.9
235.07755	3.6
235.09741	0.7
247.07738	1.0
250.06334	1.4
251.07144	21.2
261.05447	1.9
262.06351	2.8
263.07138	11.4
264.07880	5.1
267.06635	1.7
277.08823	1.6
278.05908	1.9
278.09534	1.8
279.06647	27.5
280.07022	1.4
282.09006	1.8
293.08298	2.4
294.05582	1.1
294.08966	10.0
295.06158	11.7
295.09363	1.1
306.05377	1.2
307.06082	5.2
308.06866	1.4
309.07721	1.1
309.11230	1.1
310.08542	3.8
321.07703	2.3
322.08463	8.5
323.05649	31.2
323.09146	2.8
324.05942	0.9
327.12372	0.8
337.07175	2.4
338.07983	26.7
339.08398	1.6
349.23761	0.8
353.10315	100.0
353.23187	2.4
354.10461	5.7
355.97220	0.7
361.25381	0.8
371.11584	1.5
392.28894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25504	0.9
54.39145	0.8
55.01871	6.0
55.56697	0.9
57.03445	4.1
58.00578	1.5
59.01382	100.0
61.98835	19.8
69.29818	5.3
71.01385	75.2
72.99294	0.9
73.02951	25.0
79.84122	0.8
83.01392	14.8
85.02954	33.8
87.00889	3.8
87.11062	1.1
89.02448	19.2
90.25391	1.0
95.01389	6.1
96.95989	1.6
97.02969	2.9
98.21893	1.7
99.00890	10.3
101.02448	65.6
111.00926	1.0
113.02454	36.4
117.03500	1.0
119.03506	8.1
125.02454	5.8
131.03526	3.0
135.04503	0.9
143.03503	5.9
159.02992	6.3
161.03238	2.0
161.04564	33.5
179.05649	2.7
188.95329	0.9
219.66446	1.0
221.06621	2.9
353.19965	1.1
371.20770	9.1
409.94876	1.0
413.21841	3.9
439.68909	1.3
515.25018	2.1
531.28125	2.3
533.19763	0.9
533.26044	58.8
534.26526	4.7
575.27106	68.3
576.27618	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	575.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
69.09050	10.8
71.01403	2.8
78.95908	15.0
88.98805	2.9
114.71993	2.0
132.83032	2.1
152.99666	2.6
167.01152	5.4
177.96860	1.9
187.90779	2.2
190.71912	1.8
245.30730	2.0
253.09343	12.7
279.23331	100.0
280.23801	3.9
281.24915	14.6
293.24890	9.6
321.01004	1.9
518.32397	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	575.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30465	0.7
56.50984	0.8
61.96516	0.7
64.06914	0.7
69.18710	3.0
78.95918	5.7
98.21906	1.8
152.99623	3.4
168.04343	0.8
180.05357	0.6
190.62772	0.8
192.36069	0.7
195.01894	0.7
213.85751	0.7
242.08018	2.6
279.23175	0.8
293.24899	100.0
294.25174	3.4
518.32587	32.6
519.33148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.2
59.44556	2.8
61.98855	3.2
70.47247	5.9
71.39028	2.8
72.36441	3.3
78.95918	3.7
114.63583	3.1
118.26302	2.8
152.99623	3.9
153.41498	2.6
253.09245	11.8
279.23325	100.0
281.24744	7.3
380.93671	3.2
402.15192	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14805	0.6
61.98834	100.0
69.05932	1.9
69.06334	1.5
71.01380	0.6
71.18710	0.5
71.31774	0.5
75.02271	0.5
78.98580	1.0
79.95743	1.2
80.96528	8.4
80.96978	0.7
94.98100	2.0
97.64828	0.5
109.55169	0.5
127.82497	0.5
147.68253	0.5
148.99208	0.5
152.98590	0.8
159.26173	0.5
164.98714	1.3
177.65732	0.5
225.00769	2.2
278.22089	1.2
577.26898	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.59772	0.3
69.20820	1.0
69.21221	0.9
75.63634	0.3
78.95913	3.8
80.96592	0.3
137.21828	0.3
152.99565	0.9
192.15091	0.3
196.89600	0.5
199.46609	0.3
199.89522	0.4
236.06970	0.4
250.86786	0.3
279.23352	6.9
280.23523	0.4
313.01025	0.4
511.29761	0.4
516.30994	3.8
542.29517	0.4
576.20154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46746	0.2
59.01385	17.1
69.68537	0.7
71.01378	0.2
78.95911	6.9
96.96999	0.2
103.50389	0.2
152.99615	1.3
168.04330	1.7
183.91103	0.2
224.06985	1.0
233.22800	0.3
235.32864	0.2
242.08043	3.4
250.15913	0.2
255.04160	0.2
259.20703	0.4
261.57721	0.2
275.20215	0.4
277.21744	100.0
278.22092	3.6
502.29449	29.4
503.29581	1.5
534.72583	0.2
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
59.01385	24.2
61.98848	0.5
69.11813	2.3
78.95911	30.6
79.25311	0.3
96.96989	0.6
107.44838	0.4
152.99597	4.8
168.04337	4.4
182.25983	0.4
224.06943	10.5
224.09137	0.6
233.22736	0.7
242.07982	2.9
259.20612	0.7
275.20267	0.6
277.21741	100.0
278.22070	4.2
323.55139	0.5
378.80264	0.3
486.95242	0.4
495.23831	0.4
502.29437	70.1
503.29688	3.8
513.60645	0.4
515.29291	0.8
583.72290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74970	0.2
59.01395	1.5
63.02404	1.1
65.00330	0.5
69.69576	0.7
69.69935	0.6
71.01389	1.4
73.02934	0.3
74.93192	0.3
83.01405	0.3
85.02945	0.6
88.98817	0.6
89.02428	0.4
93.03464	0.3
98.21870	0.4
99.65024	0.3
101.02453	0.6
101.26772	0.3
107.01417	1.2
113.18451	0.3
115.00393	0.5
117.03477	8.4
119.03491	0.3
119.05053	1.7
133.01425	0.4
135.04524	0.6
145.02968	11.8
149.02469	1.1
151.00400	1.2
159.04527	1.2
161.02478	1.7
163.04062	0.7
167.10783	0.8
169.06657	0.3
179.05560	0.4
180.05560	0.3
183.04524	0.9
196.05286	0.3
201.05690	0.7
215.16331	0.3
221.06796	0.4
224.04872	0.4
225.05626	1.2
247.29915	0.3
268.03799	2.3
269.04565	100.0
270.04941	3.0
307.08224	1.0
311.05560	0.5
431.09857	0.4
577.13556	24.4
578.13776	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
63.02418	1.0
63.57486	0.3
65.00332	0.6
67.33900	0.3
69.23588	1.6
70.58585	0.3
71.01366	0.9
76.60824	0.3
85.02965	0.7
89.03957	0.4
91.02420	0.3
93.03471	0.7
93.67414	0.4
98.21821	0.6
101.02454	0.3
107.01395	1.4
117.03479	34.2
118.03801	0.4
119.05022	6.3
133.01422	0.5
135.04494	0.5
145.02966	74.7
146.03325	1.0
149.02452	0.9
151.00377	1.3
159.04527	1.0
161.02438	0.9
163.04015	2.1
163.89726	0.4
169.06596	0.6
171.10263	0.4
181.06654	0.5
183.04555	1.0
194.28195	0.3
197.06047	0.8
225.05612	1.4
227.03503	0.5
234.96332	0.3
240.04277	0.5
244.44206	0.3
267.02798	0.4
268.00879	0.5
268.03790	13.9
269.04562	100.0
270.04929	3.4
293.04559	0.6
307.08234	2.5
311.05588	0.6
323.05573	0.4
378.33600	0.4
413.08810	9.0
414.08618	0.4
431.09790	9.7
432.09824	0.5
554.89752	0.4
577.13562	34.6
578.13849	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69462	0.3
59.01372	0.7
63.02400	1.4
65.00328	0.7
68.72124	0.2
71.01362	0.3
73.07024	0.3
85.02969	0.4
88.59787	0.2
89.24887	0.3
107.01397	1.0
110.21572	0.2
117.03474	8.4
118.03802	0.3
119.05022	1.3
120.32602	0.2
121.02939	0.4
130.08743	0.5
133.02950	0.3
135.04517	0.4
145.02968	12.1
149.02440	0.9
151.00397	1.1
159.04552	1.3
161.02475	1.2
161.04492	0.3
161.05920	0.2
163.04050	0.6
166.06461	0.3
169.06616	0.7
181.06599	0.6
183.04532	0.7
191.01974	0.3
192.33569	0.3
197.06094	0.7
201.05606	0.7
225.05605	1.1
227.03677	0.5
240.04407	0.3
268.03860	2.0
269.04556	100.0
270.04858	3.1
307.08221	1.3
431.09674	0.5
442.89648	0.3
577.13580	18.6
578.13971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.04335	0.3
59.01371	1.2
61.29297	0.3
63.02124	0.4
63.02393	1.8
65.00337	0.9
69.16336	1.9
70.31003	0.3
71.01382	0.5
83.01392	0.5
85.02959	1.2
89.02477	0.3
98.21922	0.8
101.02457	0.3
104.41646	0.3
107.01421	2.0
117.03474	2.7
133.02917	0.3
134.03737	0.5
135.04549	1.3
137.38705	0.3
147.74716	0.3
149.02486	0.7
151.00372	1.3
159.04558	1.3
161.02448	2.1
169.06604	0.5
172.05357	0.4
179.03552	0.9
183.04555	0.7
193.05121	0.4
196.05269	0.5
197.06128	0.6
201.05594	0.5
211.04022	0.5
212.04869	0.4
224.04767	0.4
225.05545	0.9
239.03494	1.4
240.04219	1.5
241.04959	0.4
241.17700	0.3
268.03790	23.9
269.04556	100.0
270.04889	3.6
282.52054	0.4
311.05557	0.5
311.29926	0.3
413.08847	0.8
530.60431	0.4
563.33667	0.3
577.15649	51.6
578.16077	3.4
585.61591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55392	2.8
59.01381	34.1
71.01394	7.6
81.79249	2.9
85.02956	9.2
87.15347	2.9
88.98812	6.5
89.02445	3.9
103.95523	2.7
113.02448	8.0
132.02223	4.7
134.02855	3.8
134.03775	38.8
137.72188	3.1
143.48026	2.8
147.24623	2.4
149.06056	11.9
150.97989	3.4
160.01680	35.9
175.04021	86.6
176.04752	4.1
178.02759	9.2
191.01985	3.3
191.07123	6.0
193.05087	100.0
194.05328	2.9
194.45187	2.7
217.05115	6.8
221.86510	3.1
235.06105	15.6
260.92456	2.7
265.07043	3.5
295.08099	6.9
355.10388	63.0
356.10767	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.5
59.72591	0.2
63.02406	1.3
65.00040	0.3
65.00346	0.6
69.14322	1.8
71.01386	1.9
73.02970	0.3
85.02955	1.1
87.88187	0.3
88.98817	1.0
89.02448	0.6
93.03475	0.5
96.96026	0.3
98.21781	0.5
101.02465	1.5
107.01396	1.7
113.02444	1.0
115.00397	0.4
117.03476	9.0
119.05035	1.7
121.03132	0.3
133.01457	0.5
133.03000	0.4
135.04581	0.5
137.02438	0.6
145.02969	12.1
149.02470	0.6
149.47568	0.3
151.00381	1.0
159.04518	1.6
161.02451	1.9
161.04581	0.4
163.04057	0.7
167.10797	2.4
169.06549	0.6
179.03456	0.5
179.05629	1.3
181.06583	0.4
183.04509	0.8
196.00175	0.3
197.06087	0.5
201.05656	0.6
221.06721	0.7
225.05666	1.0
227.03435	0.5
268.03842	2.6
269.04565	100.0
270.04922	5.0
306.43433	0.2
307.08154	1.3
311.05588	0.6
314.38220	0.3
431.09970	0.6
520.35101	0.3
577.13586	24.0
578.13831	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	577.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73508	0.6
59.01388	35.4
63.81247	0.8
69.28711	3.7
71.01389	27.3
71.56882	0.8
73.02950	13.0
83.01401	2.9
83.41593	0.7
85.02966	5.6
87.00887	2.6
89.02460	7.2
91.95018	0.8
95.01397	2.0
101.02448	13.0
113.02445	6.2
113.73240	0.7
115.00388	12.9
119.03526	2.3
121.02972	0.9
132.02199	1.0
133.01451	1.5
133.02985	3.3
134.03603	1.0
135.04552	2.2
160.01672	2.0
161.02489	4.0
161.04500	0.9
177.01991	2.3
177.05681	1.0
178.40120	0.8
179.03493	2.7
183.13924	1.1
195.13913	9.3
197.15500	0.9
207.03015	7.3
210.35344	0.8
213.14989	6.2
217.39896	0.8
222.05322	7.3
237.07695	10.5
242.02232	0.9
270.01581	0.8
281.06805	0.9
340.07898	1.8
357.19260	6.3
375.20282	23.5
376.20694	1.0
383.07529	1.0
417.21326	100.0
418.21616	4.7
457.65356	0.9
577.15344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03460	3.0
59.01384	54.5
71.01389	44.0
72.99306	1.5
73.02952	3.9
81.03432	0.8
83.01391	2.4
85.02959	31.5
86.00120	0.8
86.15612	0.5
87.00880	6.3
89.02454	28.5
95.01394	10.8
99.00877	0.6
99.04512	1.5
101.02460	13.7
103.04023	0.7
113.02460	60.8
119.03582	5.7
119.05035	15.2
120.05402	0.7
127.04024	3.7
127.28722	0.5
131.03522	12.6
137.06104	2.5
143.03551	2.6
145.06252	0.6
149.04614	3.7
161.04555	8.0
179.05640	1.0
191.05621	7.1
216.76262	0.5
233.06693	1.2
243.08507	0.7
269.86011	0.5
299.11368	3.4
328.12985	0.6
445.17184	33.5
446.17648	1.8
452.48627	0.6
577.21417	100.0
578.21649	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	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03442	3.0
59.01382	90.1
67.37725	1.1
71.01385	42.8
72.10637	1.1
72.99313	1.5
73.02948	3.5
75.58537	1.0
76.94420	1.3
83.01420	2.6
85.02947	16.6
85.03410	1.5
87.00869	2.2
89.02450	43.1
95.01385	3.8
95.85749	1.2
98.21825	2.5
99.00912	1.2
99.04526	21.1
101.02450	21.9
105.30093	1.0
108.02196	7.0
109.02959	4.9
109.18109	1.0
113.02460	17.2
119.03515	19.4
121.02956	1.8
123.04531	3.4
129.01962	1.3
129.07164	1.9
131.03525	2.0
133.01425	1.1
133.02956	1.9
134.03702	1.4
135.04532	1.7
143.03522	3.9
143.54462	1.0
145.06595	2.2
148.05301	3.0
149.04575	1.8
152.01106	2.2
155.05020	1.8
159.04485	2.1
160.05298	6.9
161.02534	1.2
161.04550	3.6
163.07707	1.3
165.04030	2.4
172.05280	5.8
173.06082	14.3
173.13362	26.2
175.07748	1.1
179.05655	11.3
185.98537	1.1
191.01988	2.0
191.14426	1.8
200.99466	1.3
204.04330	2.8
207.06648	1.3
217.05083	11.2
217.12263	6.6
218.05643	1.4
219.06657	4.5
229.19055	1.0
229.38704	1.3
231.06697	7.0
231.08684	1.3
235.13411	16.2
237.07596	1.6
281.08255	3.0
296.10538	4.5
311.12866	5.1
327.78070	1.0
340.09430	3.6
355.07693	1.9
355.11853	21.1
356.12708	1.4
373.08112	2.3
373.12924	45.5
374.13535	2.0
397.18698	100.0
398.18848	5.6
420.17340	1.1
486.76505	1.3
577.12006	1.9
577.25128	31.3
578.13031	1.4
578.24957	3.2
591.20776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56827	0.7
59.01389	1.0
61.98834	20.2
63.96231	1.0
69.03426	0.8
70.49057	1.4
71.01385	7.7
73.02968	1.5
76.13295	0.6
78.98592	5.4
79.95744	9.8
80.96522	65.7
85.02956	2.8
87.00882	2.8
94.96935	0.6
94.98095	14.0
96.96049	1.5
97.02961	2.7
101.02480	1.8
106.98090	2.9
122.97630	3.0
125.02448	2.5
127.03960	0.6
134.97577	4.6
136.99190	1.1
148.99103	5.6
152.98619	4.9
164.98634	11.3
206.99687	1.8
225.00757	13.0
277.21741	1.4
299.04486	2.2
577.26929	100.0
578.27124	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98833	10.3
63.96231	1.1
69.21222	1.0
69.21623	2.4
71.01384	5.9
73.02941	1.8
78.98589	4.6
79.95299	0.7
79.95744	9.9
80.96522	61.9
81.03437	0.7
85.02941	2.2
87.00880	2.1
94.98099	14.6
95.01418	0.5
96.96005	1.3
97.02931	1.1
98.21854	0.7
99.04544	0.6
101.02427	2.2
106.77003	0.5
106.98095	3.0
119.82706	0.5
122.97578	5.3
125.02476	2.5
127.04003	0.8
134.97607	3.9
136.99121	1.0
148.99161	5.7
152.98645	6.5
155.87881	0.5
156.68269	0.4
164.16982	0.4
164.97308	0.7
164.98643	10.2
167.00291	0.6
182.98306	0.5
182.99620	2.8
206.99728	3.4
225.00763	15.0
243.01752	1.2
277.21732	2.5
289.08755	0.5
299.04529	2.4
445.48792	0.6
524.95123	0.6
577.26904	100.0
578.27332	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.89280	0.6
70.00726	2.1
78.95925	0.8
80.96526	4.2
98.21994	0.7
133.46950	0.6
145.02963	1.4
168.30334	0.6
181.42455	0.6
225.00679	0.8
250.44666	0.6
443.96161	0.8
579.28540	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	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77838	1.1
59.01381	2.7
59.55967	1.1
61.98833	100.0
70.45630	2.7
78.95505	1.5
78.95901	7.7
107.87544	1.2
152.99631	1.4
154.89851	1.8
245.27817	1.2
279.23428	6.1
281.24863	2.8
293.24750	2.0
504.31021	9.9
518.32806	3.2
579.28778	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	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12859	0.4
57.50933	0.4
59.01085	0.7
59.01383	14.0
59.61192	0.5
62.75859	0.4
69.44254	1.6
71.01385	0.6
78.95914	4.7
78.98631	0.7
79.95743	0.7
80.96526	8.0
81.96487	0.4
87.00917	0.5
94.98101	1.6
101.02455	0.4
106.98114	0.7
107.33543	0.4
109.55095	0.4
148.99294	0.6
152.98552	0.7
152.99632	1.1
162.65091	0.4
164.98631	0.7
168.04318	1.4
224.06915	0.9
225.00861	1.0
242.07942	2.6
279.23309	100.0
280.23697	4.0
445.29166	0.4
451.85147	0.4
504.30988	27.5
505.31088	1.5
519.64203	0.5
578.18042	0.7
578.27240	12.8
579.27252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.9
61.98833	0.7
62.83930	0.4
69.12148	2.0
69.12556	1.0
71.01395	0.9
78.95911	24.2
78.98584	0.6
79.95741	1.0
80.96520	7.1
83.71671	0.5
86.85034	0.4
94.98091	1.4
96.96994	0.8
122.98557	0.5
145.03334	0.4
152.99611	3.1
153.00618	0.5
156.34225	0.4
164.98598	1.4
165.17288	0.4
168.04312	3.3
224.06932	9.2
225.00781	1.7
242.08089	2.0
261.22107	0.5
261.93860	0.4
279.23322	100.0
280.23575	3.8
504.31018	62.2
505.00018	0.4
505.31445	3.9
532.14331	0.5
578.27252	10.7
579.27423	0.8
599.06665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81130	0.9
55.01878	2.4
56.76542	0.8
57.03456	8.4
59.01373	3.1
61.98820	2.3
64.81155	0.9
65.00320	1.2
67.01903	1.2
71.01392	2.4
72.94031	0.9
72.99284	1.3
82.07469	0.8
83.01393	12.2
84.02187	2.7
85.02960	55.2
87.04536	9.8
91.01905	7.8
93.87993	0.9
98.22656	1.9
101.02442	1.3
108.02173	14.7
109.02982	1.3
109.06609	2.6
111.00893	31.1
112.56954	0.9
123.00916	2.7
123.04538	31.7
124.01666	3.0
124.04905	0.9
127.07658	3.9
129.01955	29.3
136.01656	2.7
148.44490	0.8
152.01164	13.4
154.99860	0.9
155.07153	13.2
155.50316	0.8
161.02478	1.2
163.04051	0.8
164.04718	1.1
167.03513	100.0
168.03848	2.1
173.00981	1.4
174.03238	1.1
184.28024	0.9
190.02812	1.0
191.01964	1.0
192.04308	5.1
199.06105	3.3
207.06647	13.4
217.07233	2.8
220.03781	1.2
225.06042	1.8
235.06126	26.5
261.06213	2.0
279.05090	6.5
323.04123	1.9
341.04877	2.1
367.10391	2.0
429.10303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34898	0.9
55.01883	4.3
57.03457	15.0
59.01376	8.9
59.54561	1.0
67.01898	1.2
68.99816	1.0
69.30056	2.7
69.30460	2.3
71.01386	6.8
71.05621	0.9
72.99312	1.3
73.02936	1.0
74.02479	1.0
78.33651	0.8
83.01389	11.6
84.02170	2.0
85.02959	100.0
86.03307	1.2
87.00879	1.7
89.02498	1.1
101.02464	2.5
111.00890	12.7
115.00360	1.2
121.02968	17.0
123.00899	2.1
125.18986	0.9
127.00401	1.1
128.03540	1.1
129.01956	32.1
129.89323	0.9
132.02184	3.5
134.03757	20.8
135.04550	3.7
136.01776	1.1
137.02466	2.7
138.03268	2.3
143.03523	9.6
147.03020	15.5
149.06064	5.8
151.04007	1.7
152.04799	1.7
153.05588	15.0
160.01703	11.3
161.02399	1.7
162.03175	1.2
173.00934	9.8
175.04015	22.7
175.57535	0.9
178.02669	2.1
179.03465	3.1
182.02222	4.3
191.01994	20.5
193.05092	19.1
197.04565	21.7
211.06146	15.7
219.06610	3.6
221.08337	1.2
233.04544	2.1
261.07693	1.4
265.07245	2.3
272.08948	1.1
279.08795	1.6
283.11923	1.9
305.06647	3.0
309.07712	1.1
323.07816	2.6
337.09329	3.6
341.08524	1.7
347.17194	0.9
374.13202	1.1
375.13501	1.6
379.38916	1.0
385.07816	3.8
392.08881	1.1
403.08963	11.4
519.31708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.9
69.05511	5.7
71.01389	8.0
73.02570	1.6
73.02953	19.4
83.01411	4.0
85.02967	6.1
85.84993	0.8
87.00834	1.3
89.02441	2.1
91.28456	0.8
101.02467	10.3
108.02184	45.9
109.02972	27.2
113.02463	4.8
119.03461	0.8
121.02937	1.2
123.04480	0.9
129.01945	1.2
131.03539	0.8
133.02977	5.6
134.03740	2.4
135.04535	19.4
136.01682	3.8
137.02451	1.1
143.03528	1.2
151.04002	7.3
152.01166	100.0
153.01935	4.0
159.04507	0.9
160.05428	1.0
161.02469	12.0
161.04576	2.0
163.04019	4.4
171.04475	1.1
173.06087	1.1
175.03999	0.8
179.03531	6.8
187.04016	2.9
188.04787	1.0
188.80592	1.0
190.93121	0.8
191.01854	1.2
202.06337	2.8
203.07098	1.4
209.02989	1.0
212.16986	0.9
241.07124	5.5
251.07272	1.0
263.07135	1.5
279.06390	1.3
285.06186	1.3
308.06949	1.0
309.07849	1.7
309.11142	1.0
323.09274	1.9
324.10092	4.8
339.12393	48.0
340.12741	1.6
399.09152	2.0
417.10403	78.9
418.10797	2.9
535.14063	1.0
579.13586	72.0
580.13715	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	579.1361
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.01873	2.5
55.18112	0.9
57.03451	17.3
59.01375	3.2
62.97209	0.8
66.23866	0.8
67.01894	1.1
69.01712	0.8
69.07047	6.0
71.01384	2.8
72.99294	1.0
73.02960	0.9
83.01396	6.3
85.02954	100.0
86.03313	1.1
100.94406	1.0
101.02467	1.0
106.48412	0.8
109.02940	1.5
111.00883	14.4
117.03421	1.0
125.99670	1.1
129.01956	39.6
133.01457	1.0
134.03757	12.8
135.10612	0.8
137.02438	4.8
138.03140	0.8
147.03015	8.4
149.06073	2.3
152.01204	0.9
152.04811	3.2
153.02045	0.9
153.05586	10.3
160.01671	6.8
162.03236	0.9
173.00966	11.6
175.04036	8.6
178.02713	2.6
191.02010	4.7
193.05072	11.6
196.03714	1.0
197.04581	2.3
211.06122	21.9
227.03566	2.4
229.05067	1.5
255.03065	4.0
261.07703	3.3
271.02554	2.2
271.35089	0.8
279.08820	2.6
284.03339	2.4
285.04160	6.1
300.02792	3.5
323.07764	4.1
341.08780	3.4
385.07892	1.4
385.12476	0.9
403.08804	0.9
579.13458	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	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40395	0.7
52.92355	0.7
55.01870	2.3
55.07516	0.6
57.03456	15.9
59.01387	5.9
61.98826	1.0
66.91501	0.6
67.48955	0.6
68.99844	0.8
69.27797	2.3
69.28221	1.1
69.63861	0.6
71.01382	3.9
72.99317	1.4
73.02930	1.8
75.00891	1.1
83.01402	5.1
84.02160	1.3
85.02956	100.0
86.03316	0.9
87.00886	1.3
89.02467	1.0
101.02431	1.2
109.02989	0.8
111.00899	13.4
114.05395	0.6
117.03466	1.3
119.03433	0.7
121.02931	0.8
127.06788	0.6
129.01955	35.7
133.01486	0.9
134.03764	11.7
135.04512	1.1
137.02454	2.2
145.01489	0.6
147.03014	13.9
149.06110	1.1
152.04767	0.9
153.01929	1.1
153.05576	4.4
160.01625	3.1
161.02463	1.6
173.00917	9.2
175.04034	2.7
175.91560	0.6
176.40056	0.6
177.57570	0.7
178.02686	0.7
179.03514	1.1
183.13853	0.8
191.01999	22.7
193.05096	8.8
197.04581	0.9
211.06145	13.6
261.07672	0.9
279.08551	2.9
323.07788	1.7
341.08774	6.0
357.01324	0.7
360.14230	0.7
385.07782	2.3
403.08835	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	579.1512
Annotation	leufolin B
Peak:m/z	Relative Intensity
57.03449	0.5
59.01386	0.9
61.98852	0.4
63.02397	1.6
64.99979	0.5
65.00326	8.7
70.16682	0.6
71.01379	0.7
73.02960	0.3
83.01389	5.2
85.02964	0.7
91.01875	0.3
93.03465	5.0
97.02922	0.4
98.21871	0.3
107.01402	13.0
108.02196	0.4
117.03464	3.2
119.05036	32.1
120.05362	0.7
121.02962	0.6
125.02462	4.8
130.08780	0.2
131.01404	0.8
133.02959	3.4
133.06641	0.3
135.04553	0.9
137.02454	0.8
143.05013	0.7
145.02965	13.6
149.02429	0.4
151.00381	47.7
152.00732	1.0
161.02446	7.6
161.06081	2.3
163.04028	1.6
164.01176	0.3
165.01938	2.7
169.01434	1.0
175.00368	3.6
176.00780	0.3
177.01939	4.5
179.03484	0.8
185.06155	1.4
187.04010	2.8
190.99985	0.3
193.01405	1.3
199.07718	0.4
205.04997	0.9
217.01488	0.3
227.07198	2.1
229.05089	0.4
265.07162	1.7
271.06128	100.0
272.06393	3.6
285.08005	0.3
295.00864	0.3
295.06152	3.5
307.08237	11.6
308.08487	0.4
313.07153	2.1
337.07184	0.3
433.11240	0.4
459.09274	0.6
579.15125	5.3
579.28162	5.4
579.37109	0.3
580.15674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48356	0.6
55.01882	3.7
57.03445	5.4
58.00598	0.8
59.01382	67.0
63.02399	0.8
65.00328	4.8
69.03439	0.9
69.29374	1.4
69.29760	1.3
71.01385	51.0
72.99306	1.4
73.02950	12.9
75.00894	0.9
83.01397	10.0
84.02122	0.8
85.02958	36.8
87.00871	2.8
87.04530	0.7
89.02451	29.3
93.03467	1.8
95.01387	4.4
97.02954	1.5
99.00879	4.6
101.02449	31.6
107.01396	7.4
111.00895	3.3
113.02464	20.8
113.03271	1.0
119.03524	14.0
119.05017	13.3
121.02958	1.1
125.02460	2.7
128.03549	1.1
129.01944	8.2
131.03514	1.8
133.02945	1.5
134.03773	1.8
135.04523	2.3
137.02431	0.9
143.03519	3.4
143.04645	1.3
145.02957	1.1
147.03009	2.5
149.04564	1.0
151.00381	30.2
151.03975	1.0
153.05577	1.6
159.03015	2.3
160.01695	0.9
161.02525	4.0
161.04561	12.9
163.33653	0.6
165.01924	0.9
173.00932	1.4
175.03993	1.0
177.01950	1.7
178.40652	0.6
179.03560	1.7
179.05646	4.3
185.06067	1.1
187.03976	1.1
191.01978	5.0
193.01392	0.9
193.05057	1.6
197.04576	1.2
197.98389	0.6
209.54315	0.6
211.06113	2.4
227.07184	1.2
235.02406	1.0
269.04498	1.7
270.05005	1.4
271.06149	20.1
313.07275	1.2
327.11264	0.7
375.14026	0.7
389.18176	0.8
403.08652	1.6
417.24966	32.6
418.25443	0.9
459.11496	6.9
477.23474	0.9
495.24509	0.8
537.25677	0.8
579.17157	25.4
579.30219	100.0
580.17957	1.5
580.30518	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	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43491	0.8
57.03454	1.4
59.01388	8.0
61.98841	1.2
63.86035	0.9
69.03470	0.9
71.01391	4.4
73.02959	2.3
83.01415	1.2
85.02956	7.2
89.02483	1.7
101.02455	4.4
108.02180	1.3
109.02969	15.4
113.02406	1.9
119.03516	0.9
121.03001	1.3
122.03754	2.4
123.04544	2.8
125.19137	0.8
129.02031	1.1
135.04556	1.6
136.01672	18.4
136.02629	1.4
137.02385	0.9
145.03065	1.1
147.04552	3.9
148.05389	1.1
151.04034	27.6
158.03822	1.5
159.04585	1.4
160.05339	1.5
161.02463	1.6
171.10269	1.3
173.06100	0.8
175.04041	18.0
175.07674	2.6
176.04799	56.4
177.05267	1.7
179.03569	1.1
190.06340	5.3
191.02051	2.5
191.07161	100.0
192.07565	2.0
193.08728	1.6
209.08257	2.2
211.06154	1.4
221.08220	1.1
239.07143	3.7
239.09314	4.6
250.06514	1.2
267.06668	32.1
268.07257	1.6
282.09003	37.6
283.09506	0.9
297.11346	83.8
298.11719	3.8
309.11285	1.2
315.12366	8.4
327.12411	35.7
328.12622	2.0
339.12222	1.7
345.13452	49.3
357.13437	12.7
358.13983	1.0
366.57919	1.0
375.09830	1.4
375.14539	20.3
383.76501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55501	2.4
57.03445	11.3
59.01385	57.9
70.82542	2.6
71.01390	26.4
73.02958	12.2
83.01389	7.2
85.02956	100.0
88.98772	5.5
89.02460	19.7
101.02469	18.4
108.02151	5.2
109.02941	5.7
111.00901	9.4
113.02498	13.2
119.03504	7.1
121.02923	2.6
129.01955	23.1
134.03740	9.7
136.01648	8.4
137.02380	2.4
147.02968	13.3
151.04053	12.8
152.01149	7.6
153.05545	6.2
161.04509	3.3
173.00919	7.5
174.33698	2.5
175.03978	6.4
176.04778	4.6
179.05667	4.4
191.01994	24.1
191.07216	5.0
193.05106	5.2
209.03040	11.1
211.06149	9.8
327.12341	15.1
339.12350	11.1
345.13199	3.1
357.13480	6.4
369.09824	3.8
375.14456	3.6
387.10883	3.4
399.14377	9.4
417.10342	7.6
475.21875	7.9
493.22528	5.8
559.48389	2.8
579.13708	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	579.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03439	3.6
59.01094	2.4
59.01383	42.4
66.06912	1.1
69.07211	6.9
71.01385	23.3
72.99287	1.9
73.02950	18.9
75.00873	1.2
77.45176	1.1
83.01382	4.3
85.02959	27.0
87.00887	2.0
89.02449	12.2
95.01351	2.9
98.21816	2.2
99.00925	1.5
101.02449	14.7
108.02180	54.4
109.02967	25.8
111.00885	3.2
113.02472	9.8
115.00347	4.5
119.03515	5.1
129.01961	4.1
131.03529	2.1
133.01456	7.1
133.03004	7.3
134.03738	3.9
135.04549	19.0
136.01675	4.9
143.03558	2.5
147.02957	2.0
151.03987	6.7
152.01166	100.0
153.01842	4.4
159.04425	1.4
161.02472	12.3
161.04517	2.6
163.03995	3.0
168.55203	1.2
172.05270	1.4
175.04054	1.3
179.03569	6.6
187.04044	2.6
191.01933	5.5
202.06410	1.8
209.03062	13.9
241.07193	6.7
248.59172	1.4
263.07013	1.4
279.06644	1.7
285.06268	1.4
291.48221	1.4
293.08096	1.3
310.26599	1.2
323.08972	1.5
324.09946	4.9
339.12387	35.0
340.12482	1.8
399.09262	2.5
407.27249	1.2
417.10425	79.3
418.10608	4.6
475.21841	12.2
475.95236	1.4
493.22830	8.8
579.13593	67.6
580.13690	6.4
596.30933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.9
61.98838	1.3
71.01392	21.2
73.02941	2.8
83.01398	2.0
85.02963	7.4
87.00893	2.3
88.98808	3.1
89.02438	1.4
95.01411	1.4
97.91605	0.7
99.00855	0.8
101.02478	4.8
107.40483	0.7
111.00891	1.3
113.02433	3.1
115.00383	9.9
116.92865	3.5
125.02430	1.3
133.01459	0.8
143.03506	0.7
151.61691	0.8
161.02448	2.7
176.03030	0.8
179.03516	1.1
191.01826	0.8
194.05367	1.0
197.15526	1.0
215.16534	23.4
229.18195	1.5
313.42477	0.8
359.20746	11.3
377.21841	40.6
378.22171	1.6
419.22913	100.0
420.23257	5.4
493.23239	1.2
579.14856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08576	4.6
61.48588	5.1
71.40503	4.6
85.02957	13.8
96.95982	5.0
100.22257	4.7
135.04514	5.6
162.95734	5.1
191.05626	100.0
194.49118	5.3
213.58080	4.8
225.02164	5.4
249.40227	5.1
353.08731	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	579.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64872	82.0
54.60801	78.2
59.01389	92.4
68.43694	80.7
78.95912	79.3
86.39093	80.7
87.93040	79.1
94.08902	85.0
97.45814	79.5
120.93556	84.0
121.32265	88.9
168.95929	90.5
233.30164	80.6
289.18088	88.9
340.98611	78.1
411.41052	76.8
503.18909	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	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08847	1.0
55.01875	1.1
57.03436	3.2
59.01386	62.6
63.56533	0.9
65.29848	1.0
71.01389	35.7
72.99297	1.6
73.02944	3.9
73.58156	0.9
74.02466	1.3
75.00839	1.2
79.40033	0.9
83.01398	3.6
85.02963	25.4
86.02561	1.0
87.00878	1.5
89.02450	27.2
95.01382	1.8
97.06599	1.2
99.04531	2.8
101.02454	18.8
111.00883	3.4
111.08887	1.0
113.02460	11.5
115.00375	3.6
119.03519	10.1
125.02412	1.2
128.03540	1.3
129.01950	4.3
130.31740	1.0
133.01419	8.3
133.03009	1.4
134.03749	3.2
135.04459	1.3
141.05553	1.2
143.04608	1.4
147.02989	1.1
161.02426	2.8
179.03465	1.4
191.01941	2.1
193.05090	2.5
195.81348	1.0
209.02992	1.4
209.73630	1.0
255.02995	1.5
272.08627	2.0
283.11856	1.8
285.04166	3.0
307.88831	1.1
341.08847	1.7
381.70441	1.3
399.20270	100.0
400.20688	6.6
454.34714	1.1
463.18411	3.0
463.24649	1.1
485.62109	1.1
579.13269	2.3
579.26648	53.9
580.27026	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15458	0.7
59.01378	1.0
60.47857	0.7
63.96221	0.7
70.83527	1.1
71.01392	7.4
73.02946	1.2
77.86278	0.7
78.95878	1.8
78.98595	7.5
79.95737	10.5
80.96522	70.4
85.02965	2.2
87.00892	2.6
94.98093	16.1
96.96017	18.4
97.02967	2.3
101.02447	1.8
106.98113	3.6
122.97604	3.3
125.02441	2.3
133.84087	0.8
134.97588	5.1
136.99103	1.4
148.99149	7.0
152.98592	4.6
164.98634	12.2
192.80396	0.8
206.99687	2.0
225.00768	13.1
279.23212	2.4
299.04425	3.4
579.28473	100.0
580.28772	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	579.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.76543	0.7
60.47811	0.7
61.98832	9.5
62.87010	0.6
63.96228	1.7
65.42108	0.6
69.37103	2.8
71.01390	4.4
73.02941	2.5
77.18635	0.6
78.95905	1.4
78.98587	4.8
79.95740	10.0
80.96523	62.3
81.82419	0.6
85.02962	3.2
87.00875	2.3
94.92554	0.7
94.98086	13.9
95.63331	0.7
96.96014	8.4
97.02959	1.5
101.02448	2.6
106.98083	2.4
113.02486	0.6
117.03475	2.4
122.97619	4.8
125.02468	2.8
127.04003	0.9
134.97601	3.7
136.99165	0.8
145.02968	10.1
148.99170	5.0
152.98628	5.3
154.89824	0.9
163.04060	1.1
164.98656	10.2
169.27025	0.6
182.99675	1.5
195.00616	0.6
206.99718	2.6
225.00783	16.9
230.60623	0.7
243.01830	1.2
279.23306	3.4
281.24866	1.5
299.04401	2.5
425.95038	0.7
433.26392	0.8
579.28510	100.0
580.28815	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	579.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49939	0.5
55.01867	3.8
57.03455	4.2
58.00600	0.7
59.01384	64.4
61.55302	0.7
63.02379	0.7
65.00319	2.6
70.66563	1.1
71.01385	49.1
72.99323	1.8
73.02953	11.3
75.00864	1.0
81.03459	0.7
83.01389	7.4
85.02956	32.3
87.00866	2.9
89.02449	28.0
93.03477	1.3
95.01405	4.2
97.02969	0.6
99.00887	4.9
101.02451	31.9
107.01389	3.4
111.00886	3.6
113.02458	20.4
116.92848	0.7
117.03459	0.6
119.03516	12.3
119.05017	7.1
121.02958	0.9
125.02454	1.7
129.01945	6.8
131.03505	0.8
131.38278	0.7
133.02931	1.4
134.03714	1.0
135.04533	1.8
137.02458	0.8
143.03578	3.5
147.02988	2.2
151.00378	15.8
153.05641	1.3
159.03024	2.8
160.01736	0.7
161.02547	3.2
161.04550	11.5
161.05875	1.2
165.01962	0.8
171.69330	0.6
173.00966	1.2
175.03949	0.9
177.01929	1.4
179.03528	1.4
179.05597	4.2
182.02211	0.7
187.04047	0.9
191.01950	2.6
193.05096	1.4
211.06088	2.0
235.02463	0.6
255.19757	0.7
264.81552	0.7
269.04587	1.0
270.05066	0.7
271.06125	11.7
285.29861	0.7
325.10825	0.8
373.23782	0.6
399.20032	1.2
403.08560	0.9
417.24957	31.3
418.25061	0.9
459.11551	3.9
477.23181	0.8
579.17139	13.8
579.30280	100.0
580.17230	1.3
580.30762	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	579.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
60.24802	0.4
61.98836	100.0
69.21051	1.8
78.95920	1.7
142.46716	0.3
152.99652	0.5
168.89549	0.3
176.46790	0.4
219.92247	0.4
230.13091	0.4
277.21738	1.9
278.22180	1.1
279.22424	0.8
373.68683	0.4
400.31772	0.4
502.29733	0.9
504.29785	0.4
505.30325	1.3
563.32605	0.4
581.41882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76785	0.4
61.98835	100.0
69.18478	2.7
78.95911	0.5
93.24593	0.4
94.01495	0.5
109.40745	0.5
120.35744	0.6
126.92286	0.4
152.99609	0.9
177.88577	0.5
190.82126	0.5
270.63733	0.5
277.21832	2.4
278.22128	0.8
279.22632	0.8
314.40475	0.5
384.49542	0.5
502.29724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44827	2.9
71.39545	3.2
72.04535	13.1
82.02988	57.9
82.52737	2.4
85.02955	6.4
87.53674	2.3
98.02488	23.5
100.04065	22.8
104.59469	2.4
119.05057	30.9
123.57049	2.7
126.62635	2.3
131.16510	2.8
131.45461	3.2
192.10309	4.8
195.48218	2.5
208.25363	2.8
218.08269	3.6
220.09801	13.5
264.08783	100.0
338.93979	3.1
443.72855	3.0
577.60608	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	580.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52771	1.8
55.94628	1.9
63.10462	1.9
65.90556	2.0
71.01376	9.1
71.05018	11.3
71.39075	2.6
81.72964	1.9
85.02949	8.7
88.04051	74.9
89.34674	2.0
99.04540	2.4
100.69114	2.1
130.08713	2.1
133.02899	2.8
146.08244	41.3
185.88774	2.3
190.89357	2.0
218.10338	100.0
354.85971	2.1
485.46552	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05480	1.0
56.25174	1.2
69.18507	2.5
69.18915	3.9
76.32790	1.1
78.95919	9.1
80.96518	1.3
96.96018	6.6
98.22711	2.2
107.81814	1.3
121.02919	1.7
130.78749	1.2
152.99588	1.2
154.89838	1.5
180.04228	2.3
254.08081	1.4
277.21667	1.5
292.41141	1.1
293.24896	100.0
294.25171	10.7
519.32617	2.4
520.15247	1.4
530.32599	31.4
531.32709	1.8
568.45001	1.3
580.28754	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	580.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83437	0.9
70.88657	1.5
78.95911	26.2
80.96510	1.6
92.27680	0.9
93.26582	1.0
96.96014	2.5
145.52670	1.0
152.99561	6.1
154.89781	1.3
172.05244	1.0
180.04396	1.5
186.54564	1.0
198.67484	0.9
224.06859	1.2
236.06935	7.0
254.08023	2.7
277.21454	1.4
281.24899	2.8
293.24884	100.0
294.25235	11.8
295.25623	1.4
447.24756	1.2
519.32733	8.8
520.33398	1.5
530.32538	65.7
531.32715	4.2
580.28748	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	580.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.0
59.25057	1.1
61.98830	8.9
63.85274	1.0
70.34052	2.9
71.01378	3.1
78.95445	1.3
78.95913	29.0
78.98574	2.5
79.95724	4.3
80.96526	33.0
82.96095	1.7
87.00885	1.3
94.98109	6.7
95.31979	1.1
96.95995	7.6
97.02954	1.2
106.98058	1.6
116.92853	1.7
119.42282	1.0
122.97659	1.3
125.02435	1.8
134.97560	3.1
145.02916	2.4
148.99162	2.7
152.98497	1.9
152.99590	4.8
153.00664	1.1
164.98621	5.2
165.98846	1.1
168.04268	3.2
179.89174	1.3
188.10326	1.1
196.89561	3.1
224.06958	7.5
225.00793	5.3
226.00989	1.8
236.92664	1.2
242.07892	1.7
279.23312	2.2
281.24887	100.0
282.25226	2.7
299.53146	1.4
339.00082	1.2
343.99683	1.2
506.32532	53.4
507.32886	1.7
580.28809	50.0
581.17938	4.2
581.28583	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	580.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59107	0.4
57.86416	0.4
59.01382	11.6
61.98835	10.1
62.34095	0.4
63.99253	1.1
70.12513	0.9
70.12880	1.1
71.01385	0.6
78.95922	4.8
78.98569	0.5
79.95739	1.1
80.96525	6.9
82.25636	0.4
82.96094	0.5
85.00437	2.2
87.00854	0.6
94.98098	1.3
98.53570	0.5
122.97508	0.5
134.97600	0.5
145.02953	0.9
146.03305	0.6
148.99182	0.4
152.99623	0.8
168.04320	0.9
170.69305	0.5
224.06898	1.3
225.00584	1.0
242.08000	2.6
281.24875	100.0
282.25159	4.0
290.37869	0.5
408.78311	0.5
418.24551	0.4
506.32574	25.8
507.32901	1.5
580.28827	12.5
581.28369	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	581.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03452	13.2
59.01384	7.0
66.04411	0.5
66.07601	0.5
66.41271	0.4
67.35434	0.5
69.45689	2.1
71.01387	2.8
72.99313	1.0
75.00881	2.0
75.27590	0.5
83.01397	2.6
84.02152	1.2
84.53658	0.5
85.02957	100.0
86.03292	1.0
87.00854	0.7
101.02450	0.9
103.00379	1.4
105.71510	0.5
111.00901	4.5
115.00396	0.9
122.03754	0.7
129.01968	7.8
134.03772	1.1
147.03014	15.7
150.03252	1.5
157.21915	0.5
165.05583	1.5
173.00941	1.7
177.44084	0.5
191.01988	42.2
192.02467	0.6
193.05104	1.2
195.06715	0.6
278.46884	0.5
381.29062	0.5
389.12595	0.5
414.95013	0.7
581.15173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	0.3
55.01872	2.2
57.03454	13.9
59.01385	7.7
62.36354	0.4
71.01389	3.1
72.99312	1.3
73.02943	0.9
74.05663	0.3
75.00877	2.2
77.59941	0.4
83.01395	3.0
84.02161	1.3
85.02959	100.0
86.03309	0.7
87.00874	0.7
89.02472	0.9
98.21806	0.7
99.00857	0.5
101.02486	0.7
103.00407	1.0
106.36955	0.4
111.00904	3.8
129.01964	8.2
134.03732	0.8
138.52640	0.4
147.01828	0.8
147.03012	15.5
150.03247	1.2
160.20811	0.4
165.05550	1.5
173.00919	2.0
178.02905	0.4
191.01993	44.4
193.05119	1.1
195.06561	0.7
538.38904	0.5
581.15778	0.8
581.26282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01375	2.4
69.97946	3.3
78.95911	100.0
89.02413	1.0
96.96024	40.6
96.96937	5.2
98.95615	3.0
99.92599	10.5
100.93378	13.9
115.92083	23.9
116.92879	29.3
120.96938	2.0
142.94446	1.7
150.98047	4.4
152.99600	28.9
155.95245	1.3
163.89726	4.6
164.90567	7.2
171.00656	14.2
172.95450	7.1
178.88422	10.8
178.89845	1.2
178.90585	1.3
179.89233	35.4
180.90036	27.0
181.90823	6.9
187.14406	1.2
187.19659	1.1
196.89499	43.2
205.90805	11.2
206.91507	5.8
218.91440	1.8
219.92416	2.3
221.90294	3.7
234.91107	2.2
235.91847	10.9
236.92644	34.6
237.93314	1.1
239.26003	1.1
252.92157	3.1
253.92863	1.1
255.23326	6.4
270.93216	2.8
276.95694	2.9
278.93756	5.8
292.95245	3.4
308.94641	1.6
310.96341	7.2
331.16641	1.1
409.17084	1.7
445.27658	1.3
461.32785	1.3
473.13922	7.0
483.27356	2.3
490.14413	8.4
494.41647	1.3
515.14832	1.4
533.15906	4.5
545.16132	6.4
563.17261	8.9
575.69836	1.4
581.18286	70.5
582.18591	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01385	2.7
65.00314	0.6
71.01381	0.8
73.57981	0.4
77.03924	0.3
78.01112	0.8
81.03465	0.9
83.01396	0.7
85.02956	3.9
89.00326	1.6
91.01890	1.0
93.03465	0.4
95.42160	0.4
97.02945	0.6
106.00604	2.0
109.02949	1.6
111.00866	1.3
112.98808	0.6
116.92905	0.5
121.02967	22.5
122.00118	1.1
122.03253	0.4
122.06104	0.6
123.00897	1.3
134.03734	0.4
137.01456	0.7
137.02463	10.2
137.99640	0.6
138.03246	2.3
139.00443	0.5
139.04080	0.4
153.01964	0.5
153.05594	18.5
155.03551	2.0
164.04800	0.9
168.04308	0.4
179.07068	0.6
181.01437	1.4
182.02258	1.3
191.01981	1.6
196.03775	1.4
197.04565	100.0
198.04874	1.9
209.03059	1.0
223.04567	0.9
265.07529	0.4
303.08691	0.6
401.15820	0.8
419.83096	0.4
459.18100	0.8
581.24188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79844	4.6
57.02228	4.9
57.03445	5.8
59.01385	76.7
61.98829	12.5
70.57679	12.9
71.01387	44.1
73.02958	16.9
83.01419	6.1
83.05032	5.0
84.02180	4.7
85.02962	62.4
89.02454	24.5
93.03450	5.5
97.02969	6.5
101.02438	24.6
111.00988	5.9
113.02477	8.7
120.01270	5.2
121.03010	5.5
123.04560	8.1
125.02436	7.0
133.02995	12.5
134.03741	15.6
135.04492	27.3
147.02995	5.2
149.04556	5.8
149.06052	8.1
150.03261	24.7
151.04103	4.9
160.07243	6.0
161.02480	25.7
161.04601	6.3
165.05557	18.0
167.03426	8.1
167.07156	11.3
171.10295	22.2
178.02763	6.0
179.03473	35.7
180.04031	6.0
191.02016	16.7
191.05634	31.6
193.05081	21.2
195.06636	17.0
197.04672	7.0
267.06586	5.8
315.14505	16.1
317.12912	5.9
333.15503	100.0
375.16617	76.2
377.11841	15.0
397.27316	5.4
461.16666	6.1
566.51758	5.7
597.50024	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	581.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79844	4.6
57.02228	4.9
57.03445	5.8
59.01385	76.7
61.98829	12.5
70.57679	12.9
71.01387	44.1
73.02958	16.9
83.01419	6.1
83.05032	5.0
84.02180	4.7
85.02962	62.4
89.02454	24.5
93.03450	5.5
97.02969	6.5
101.02438	24.6
111.00988	5.9
113.02477	8.7
120.01270	5.2
121.03010	5.5
123.04560	8.1
125.02436	7.0
133.02995	12.5
134.03741	15.6
135.04492	27.3
147.02995	5.2
149.04556	5.8
149.06052	8.1
150.03261	24.7
151.04103	4.9
160.07243	6.0
161.02480	25.7
161.04601	6.3
165.05557	18.0
167.03426	8.1
167.07156	11.3
171.10295	22.2
178.02763	6.0
179.03473	35.7
180.04031	6.0
191.02016	16.7
191.05634	31.6
193.05081	21.2
195.06636	17.0
197.04672	7.0
267.06586	5.8
315.14505	16.1
317.12912	5.9
333.15503	100.0
375.16617	76.2
377.11841	15.0
397.27316	5.4
461.16666	6.1
566.51758	5.7
597.50024	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	581.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01384	21.5
65.05394	1.2
71.01392	14.5
71.39720	1.3
73.02948	3.1
82.94318	1.2
83.01385	2.3
85.02976	8.0
87.00851	1.9
88.95097	1.3
89.02462	2.5
90.89613	1.3
95.01449	1.4
101.02441	5.1
113.02461	4.8
119.03506	1.6
125.02486	2.2
125.09749	1.9
135.04549	1.8
161.02428	2.3
171.10272	17.8
179.03542	1.9
252.46701	1.4
289.42505	1.5
315.14417	7.3
333.15573	35.9
375.16617	6.8
448.80389	1.4
461.16205	1.5
477.19604	2.6
495.20831	10.0
503.17352	2.6
537.21948	100.0
538.22247	6.1
590.99127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	2.1
59.01382	27.9
60.38055	1.9
61.98815	2.3
68.05795	2.0
69.71249	7.6
71.01388	7.4
73.02946	3.9
78.21482	1.8
85.02969	9.5
85.07817	1.8
85.94862	1.7
89.02464	2.3
95.01450	1.9
98.22611	3.7
101.02451	7.2
103.11733	1.8
106.14426	1.6
113.02415	3.8
125.09727	4.2
171.10307	27.1
178.83444	2.4
191.02055	2.3
238.36482	1.7
315.14462	13.9
333.15567	56.9
375.16620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03175	0.8
57.03452	13.2
59.01387	4.1
59.80750	0.4
69.06594	0.8
69.07002	2.4
71.01394	2.4
72.99290	1.1
73.02951	1.4
73.87206	0.5
75.00872	1.5
83.01389	4.4
84.02179	1.7
85.02958	100.0
86.03236	0.6
87.00880	1.2
87.04531	1.1
96.51407	0.4
96.96031	0.7
101.02456	1.2
110.76344	0.4
111.00166	0.7
111.00893	7.7
117.03453	1.0
119.05035	0.6
124.01689	1.3
129.01955	21.2
134.03763	13.2
145.01434	0.6
147.02997	6.2
149.06081	1.7
149.99625	1.2
151.00359	0.7
160.01689	2.3
160.84299	0.8
161.02376	0.6
168.00652	3.3
173.00931	8.4
175.03966	2.5
178.02687	0.7
183.13953	1.5
191.01974	6.0
193.05069	10.9
195.13985	1.4
205.15926	0.7
213.14989	11.1
261.07693	1.4
263.67072	0.4
273.06857	0.6
281.17612	6.1
323.07846	2.9
343.17554	2.7
350.59985	0.5
367.06705	2.8
387.16467	2.1
395.78952	0.5
404.95132	0.5
405.17758	1.3
474.16803	0.5
539.27368	1.0
581.18945	3.7
581.27222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03173	1.1
57.03449	11.8
59.01374	4.6
61.98832	1.1
63.61287	0.6
68.42596	0.6
69.11659	2.6
69.12059	1.7
71.01384	2.8
72.99325	0.6
73.02962	0.6
74.26711	0.7
75.00877	1.6
83.01392	3.2
84.02157	1.4
85.02955	100.0
86.03259	0.8
87.00884	2.0
90.64811	0.7
93.22916	0.6
96.96020	9.9
98.21877	1.0
100.48637	0.8
101.02443	0.7
103.00381	0.8
111.00892	6.5
129.01956	13.9
134.03732	6.6
147.02979	7.6
160.01677	1.3
165.05453	0.7
173.00888	5.5
175.04019	1.8
191.01987	27.6
193.05067	5.5
195.13892	1.0
205.15730	0.7
213.14966	9.1
281.17627	5.5
284.77917	0.7
323.07813	1.2
343.17590	2.2
367.07028	1.5
387.16595	1.9
405.17654	9.5
581.26263	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95404	0.7
53.88815	0.8
55.01874	2.2
57.03453	13.9
58.88445	0.8
59.01392	5.6
70.45889	1.8
71.01363	2.0
73.02943	1.2
75.00898	1.1
83.01397	3.2
85.02956	100.0
87.46636	0.8
100.16010	0.8
111.00887	8.3
117.03475	1.2
117.39669	0.9
129.01953	18.4
134.03737	11.9
147.03017	5.0
149.06033	1.9
160.01686	1.8
162.66046	0.7
173.00923	8.3
175.04031	2.0
191.01984	5.6
193.05081	11.4
195.13953	1.5
213.14969	12.4
250.02197	0.8
261.07706	1.8
281.14761	1.1
281.17538	6.7
323.07742	2.8
343.17667	3.0
367.06705	2.4
387.16812	2.1
403.18088	0.8
405.17474	1.5
484.88782	1.1
521.02069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54476	2.5
57.03445	15.6
59.01384	98.4
64.28181	2.2
71.01026	3.5
71.01388	48.7
71.40446	2.1
72.99321	2.9
73.02964	11.6
79.20293	2.1
83.01394	12.7
85.02956	100.0
86.03274	12.7
87.00855	4.3
87.03384	2.7
88.62374	2.4
89.02464	30.4
89.09399	2.5
89.50713	2.1
95.01369	2.8
99.00869	2.9
101.02451	33.8
111.00891	10.2
112.01215	2.5
113.02453	24.5
115.00419	4.8
119.03500	11.0
125.02410	3.9
129.01962	30.7
130.02277	5.4
131.02426	4.7
133.01443	9.4
134.03720	6.6
137.02423	5.0
143.03514	4.0
147.03038	7.3
149.06111	2.7
153.05536	4.9
160.01749	2.1
161.02377	4.0
161.04578	6.2
173.00850	5.2
175.03937	4.7
176.04285	4.3
179.05621	4.6
185.50728	2.4
191.02039	7.6
193.05008	3.8
194.05318	3.5
197.04623	3.3
211.06094	8.5
212.06406	3.1
213.06667	3.8
220.46515	2.5
222.05400	4.0
228.03970	2.6
255.03053	2.3
285.03967	4.0
286.03940	2.7
287.04559	6.0
298.08441	2.6
333.19150	6.2
389.17892	4.4
465.27063	4.0
477.23499	79.4
495.24591	60.8
496.24954	3.2
537.25330	7.1
581.13934	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.7
59.65170	17.0
61.98816	54.8
69.50014	67.6
85.02961	100.0
129.01866	19.0
184.13155	20.6
197.11867	24.7
253.09276	70.6
309.20938	90.6
337.24057	28.2
419.24289	24.2
521.07452	19.6
525.36163	20.7
581.27625	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23927	0.3
55.01876	1.8
57.03452	3.1
57.55021	0.3
59.01384	42.2
60.01701	0.5
61.98819	0.4
68.99794	0.5
69.03460	1.6
69.13824	1.1
69.14230	0.7
71.01385	25.5
72.99303	1.0
73.02952	14.6
75.00873	0.8
81.03488	1.0
83.01394	9.0
84.02156	0.6
85.02956	25.4
86.03271	0.3
87.00892	2.8
87.04522	100.0
88.04868	0.7
89.02467	4.7
90.66389	0.4
93.03477	0.4
95.01398	3.1
97.02954	3.3
99.00899	4.9
99.04586	0.4
101.02454	19.1
109.02952	1.0
111.00891	3.1
113.02459	15.6
119.03498	1.8
121.02951	0.5
122.03745	0.5
125.02451	5.3
127.04041	0.6
129.01918	2.8
131.03529	0.9
133.02940	0.5
134.03732	0.9
137.02451	0.9
143.03520	6.8
145.12343	0.5
147.03006	1.4
149.02483	0.8
150.03239	2.3
150.04315	0.3
155.03502	1.0
159.02979	1.1
161.04558	5.6
165.05620	1.9
173.00969	0.6
175.03989	0.5
179.05637	0.6
185.04549	0.5
191.02008	4.0
193.05046	0.6
195.06660	1.0
201.85545	0.4
203.05632	0.5
213.15009	1.0
216.21262	0.3
221.06723	0.5
227.05702	0.7
245.06677	1.4
289.16370	0.6
307.17703	0.6
311.18701	1.2
321.07504	0.4
337.39441	0.4
340.09225	0.3
355.11871	0.7
367.11996	0.8
377.21811	7.2
384.11493	0.3
419.22925	2.7
443.22827	1.1
451.21661	0.7
521.26062	7.6
521.33893	0.4
522.26080	0.6
533.18079	0.4
539.27130	40.9
540.27417	2.0
581.20264	0.4
581.28210	8.9
582.28149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42307	0.9
55.01875	3.6
57.03455	6.2
59.01384	88.4
69.03466	2.0
71.01388	59.6
72.99304	1.5
73.02948	17.1
75.75499	0.8
81.03474	1.6
83.01398	14.6
85.02957	62.9
87.00893	4.0
87.04522	100.0
89.02453	12.6
95.01384	4.4
96.96037	1.8
97.02952	4.1
98.22614	2.5
99.00893	7.5
101.02454	41.5
111.00889	3.8
113.02457	30.9
116.92845	1.1
119.03525	4.4
125.02461	8.9
129.01961	7.3
131.03520	1.7
134.03703	1.9
143.03523	5.0
147.03015	3.1
155.03682	1.0
159.02998	4.6
160.01790	0.9
161.02513	1.7
161.04562	17.0
173.00931	2.3
175.04091	1.0
179.03532	1.2
179.05627	1.2
185.04588	1.0
191.01976	7.8
193.05104	1.8
209.03110	0.9
213.14963	3.5
214.64516	0.8
235.40521	0.8
245.06595	1.0
289.16553	2.3
300.71750	0.9
311.18619	1.9
371.11292	2.0
377.21777	9.3
383.11584	1.4
399.89264	0.9
419.22812	3.7
451.22079	1.6
521.26013	2.2
539.27124	60.7
540.27289	2.1
581.28223	26.8
582.29022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29613	0.5
59.01399	0.4
61.98835	100.0
73.23582	0.5
78.95924	1.1
80.91455	0.4
105.83273	0.5
146.01105	0.5
152.99628	0.9
203.84868	0.4
279.23383	3.1
280.23721	1.2
282.24289	0.8
338.67587	0.5
504.31439	0.9
509.33936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03932	0.2
59.01378	0.7
61.66157	0.3
61.98835	100.0
69.05594	1.0
69.06019	1.1
77.15800	0.2
78.95919	1.1
82.96120	0.2
98.22761	0.5
105.94308	0.3
152.34491	0.3
154.13684	0.3
169.12364	0.3
215.08478	0.3
277.21780	0.3
279.23355	2.1
280.23624	1.5
281.24109	0.9
282.24353	0.7
332.30179	0.3
365.01498	0.3
398.84763	0.3
481.94775	0.3
497.79413	0.3
504.31375	1.0
505.25659	0.4
506.32227	0.4
507.32285	1.0
581.28033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82840	0.5
59.01388	2.1
61.98835	100.0
69.27775	2.5
70.03086	0.5
71.01391	1.2
85.02959	3.5
101.02488	0.7
119.04899	0.5
123.76122	0.5
129.01949	0.6
135.04536	0.7
135.88530	0.5
161.02486	1.3
179.03633	0.5
179.10123	0.5
191.02057	0.7
199.81606	0.5
466.20975	0.8
466.27325	0.7
540.18396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
71.01392	13.5
71.05025	13.2
71.39184	2.2
85.02956	6.4
88.04048	81.1
89.02449	5.5
99.04542	4.3
101.02454	2.2
106.38406	1.2
113.02437	2.0
116.07166	1.5
146.08249	38.5
179.05672	3.4
181.05104	3.5
191.02118	2.1
192.52933	1.3
193.57544	1.2
205.76546	1.3
218.10342	100.0
219.10774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.81680	2.9
63.25071	3.1
66.74189	2.7
69.15629	20.1
71.01385	53.6
75.50365	2.9
76.83755	3.1
77.26550	2.8
83.01401	3.2
85.02946	18.2
89.02452	76.4
95.01383	5.3
101.00168	3.3
101.02452	22.4
113.02457	23.5
116.41419	3.0
119.03535	26.5
129.01952	3.5
131.03516	5.0
132.33910	3.0
137.02440	5.3
143.03499	6.0
151.04007	6.1
161.04538	8.9
179.05632	42.9
180.83946	3.1
181.05037	18.4
216.75914	3.4
267.28448	3.4
309.07166	2.9
343.10474	5.1
371.96750	3.2
605.15570	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	583.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75530	0.8
53.34601	0.8
62.96406	1.1
69.37496	3.5
70.77033	0.9
71.01341	1.1
78.95910	100.0
81.30791	0.9
96.96004	2.2
96.96963	5.5
98.95591	1.8
99.92592	11.1
100.93369	15.1
115.92085	23.6
116.92875	27.3
117.70542	0.9
117.92876	1.1
120.96933	1.2
129.26207	0.9
148.91026	1.1
150.98045	5.7
152.99597	30.3
154.94298	1.0
163.89731	3.4
164.90530	6.6
171.00653	4.5
171.10628	0.8
172.95486	7.0
177.83076	0.9
178.88435	9.5
179.89224	24.2
180.90036	20.7
181.90866	5.7
196.87656	1.5
196.89496	32.4
197.89531	1.1
204.90028	1.1
205.90793	7.6
206.91576	4.5
219.92239	1.8
221.90271	1.0
234.91093	2.4
235.91893	10.0
236.92628	24.0
237.93199	0.8
252.92102	4.1
255.23322	9.2
263.12015	0.8
270.93213	2.3
278.93649	2.3
291.94476	0.9
297.20734	1.0
309.95517	1.9
409.23541	1.6
435.12390	1.0
474.15350	1.1
475.15726	8.1
476.16299	0.9
492.15909	7.9
509.16489	1.0
535.17792	6.5
547.17676	7.3
583.19849	83.8
584.19952	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	583.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03459	2.0
59.01383	25.8
61.98843	2.2
64.94073	0.6
69.03464	2.9
69.51826	2.9
71.01384	21.2
71.05056	0.7
71.84515	0.7
72.99341	1.6
73.02962	2.1
83.01401	2.3
85.02956	7.1
87.00917	1.8
87.72877	0.6
89.02448	15.3
95.01407	1.0
96.96067	0.7
97.02981	0.6
99.00899	1.6
101.02455	11.4
108.02182	52.1
109.02970	19.1
113.02456	6.6
114.02734	0.7
119.03509	6.6
123.00928	0.7
123.04621	0.6
123.08093	0.7
125.02465	0.9
126.90423	1.1
131.03522	1.4
133.02986	1.0
134.03770	0.9
135.04552	1.6
139.11278	2.1
143.03517	2.5
151.03995	0.9
152.01163	99.6
153.01958	7.0
161.02441	1.3
161.04565	3.0
161.05730	0.6
163.04036	3.1
177.01906	0.8
179.03529	1.2
179.05646	3.5
183.10272	2.3
193.05095	0.8
196.89409	0.6
203.05630	1.1
233.06696	1.7
241.07224	0.8
267.04904	0.7
275.07840	1.1
285.06219	2.5
293.08685	1.8
399.09351	17.6
403.19800	0.8
417.10550	6.9
583.20032	100.0
584.20477	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	583.261
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
55.01886	5.9
57.03454	5.3
59.01385	91.5
61.98839	0.9
64.76175	0.5
66.30611	0.6
69.03458	3.3
69.26350	3.3
71.01388	100.0
72.01753	0.8
72.99320	3.0
73.02951	23.4
75.00893	1.2
81.03452	1.4
83.01390	13.4
85.02956	40.9
87.00878	6.0
89.02454	44.6
95.01403	7.1
96.96044	1.0
97.02965	5.8
99.00892	10.9
101.02452	70.4
111.00891	0.9
111.22617	0.6
113.02460	37.6
115.04010	0.6
119.03522	15.2
121.03013	0.5
125.01546	0.6
125.02466	11.1
126.14944	0.5
126.90425	0.7
127.11309	1.3
129.01962	2.4
131.03520	5.3
133.02934	0.7
135.04530	1.7
143.03510	5.8
149.04575	3.4
149.13112	0.5
159.02991	4.5
161.02428	2.6
161.04572	27.7
161.76933	0.6
162.04883	0.8
167.03450	0.7
179.03488	1.2
179.05647	7.0
191.05605	0.6
215.11934	0.6
233.06639	0.7
264.36319	0.6
275.07712	0.8
283.13510	1.0
289.16595	58.4
290.16937	2.3
293.08731	2.1
293.31494	0.5
403.18262	1.3
421.20831	56.7
422.21078	1.8
451.21866	33.2
452.22250	1.3
535.12170	0.6
583.26111	84.9
584.26440	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	583.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44604	1.3
50.98484	1.1
55.01867	4.9
57.03442	2.8
59.01385	61.2
69.19810	3.1
69.20219	6.2
71.01022	2.3
71.01391	28.9
71.49427	1.5
73.02956	10.4
80.50340	1.2
83.01405	7.9
85.02960	21.3
86.00111	2.1
87.00874	4.1
89.02464	3.3
95.01387	3.8
97.02958	2.8
98.21893	2.6
99.00895	4.9
101.02457	24.9
101.09110	1.1
107.96357	1.2
111.00900	6.2
112.01675	1.6
113.02473	15.3
124.01685	1.7
125.02441	5.0
129.01933	2.5
131.03510	1.3
143.03516	5.5
159.03011	3.2
161.04573	7.5
164.20761	1.2
173.15497	1.8
191.02010	1.9
317.19763	2.6
335.20764	10.5
479.24997	100.0
480.25235	5.8
497.26077	60.7
498.26004	2.3
539.27240	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	583.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69230	0.4
53.17868	0.4
53.50320	0.4
59.01368	0.9
61.98814	0.4
69.33960	1.5
70.36915	0.4
74.02474	2.5
82.02989	3.7
82.06621	0.6
84.04547	7.3
85.02950	1.5
86.02469	1.3
101.02447	0.4
127.05122	0.7
128.03557	5.7
128.10817	1.2
140.10815	0.5
141.10341	3.1
142.12386	0.7
154.12344	0.5
167.11893	2.0
169.13464	2.6
171.15027	3.5
195.11372	0.8
197.12959	30.7
198.13182	1.0
215.14011	100.0
216.14249	2.0
220.81577	0.5
244.92577	0.4
348.38821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62662	0.3
57.03457	0.5
59.01375	0.7
59.79000	0.3
61.98835	100.0
69.09853	1.3
69.10262	0.6
69.82674	0.4
71.01404	0.3
75.00889	0.3
83.78476	0.3
85.02962	3.7
85.19738	0.3
96.96052	0.4
103.07233	0.3
111.00902	0.5
129.01982	0.8
129.69998	0.3
131.78818	0.3
135.04478	0.4
147.03026	0.6
161.02414	0.5
179.03505	0.5
191.02025	0.5
197.08165	0.5
348.61636	0.3
359.13464	0.5
400.73410	0.3
447.96771	0.3
593.71368	0.4
610.73376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.0
65.01468	2.8
69.00944	7.8
71.01360	5.6
71.41724	3.2
72.48485	2.3
214.41257	2.4
230.85857	2.3
253.09282	16.1
277.21747	100.0
278.22162	4.9
423.76819	2.8
514.71246	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83647	1.0
59.01383	11.9
60.99312	14.1
61.98818	1.5
71.01389	3.6
71.41255	1.9
72.86088	1.0
73.02966	3.0
82.95423	1.1
84.95093	1.1
85.02972	2.4
88.98815	100.0
89.02463	2.3
89.72932	1.0
96.96044	1.7
101.02445	2.5
113.02486	2.6
121.55717	1.2
133.02922	1.5
179.80171	1.2
219.60825	0.9
250.96396	1.3
499.08374	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	585.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03633	0.9
59.01385	31.3
61.98831	1.8
69.23010	6.2
71.01389	12.6
73.02946	15.0
77.56121	1.0
83.01394	3.7
85.02956	3.6
89.02455	4.8
96.96021	5.2
101.02457	13.1
107.20495	1.2
109.86725	1.0
113.02451	4.6
116.92875	6.6
116.93579	1.1
119.03489	1.4
135.04550	1.6
161.02489	1.2
178.43480	1.0
179.03490	1.2
259.20724	1.6
261.23557	1.1
301.21744	3.0
319.22794	15.5
321.24326	3.0
337.23804	1.3
467.47543	1.0
481.28076	3.2
499.29190	13.3
500.29395	1.5
541.30219	100.0
542.30493	9.2
585.16779	1.5
595.63367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.7
71.01409	5.9
80.35018	3.7
85.02958	4.3
93.26106	3.5
98.22753	5.0
116.92885	11.1
219.72905	3.7
256.55524	3.8
283.11087	5.6
319.22766	37.1
320.23221	4.2
337.23883	9.2
353.39301	4.9
361.25284	4.2
403.38019	4.5
481.27963	6.4
499.29123	21.0
541.30206	100.0
542.30743	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	585.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
61.98808	0.7
69.96157	2.0
71.01390	1.3
73.02950	2.4
75.73177	0.6
98.22607	0.7
101.02444	1.0
116.92857	1.6
133.02956	0.7
135.04494	0.6
167.11154	0.6
183.77853	0.7
220.36037	0.7
245.97112	0.8
301.21661	1.1
307.22815	1.6
315.23416	1.4
319.22836	2.6
333.24356	1.7
337.23877	100.0
338.24219	4.4
351.25662	0.7
379.25031	5.0
568.35699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
57.30086	0.8
59.01375	4.3
61.98835	1.2
68.08453	0.7
69.62190	0.7
71.01385	2.7
85.02951	1.1
89.02463	1.0
96.95997	0.8
101.02474	1.6
113.02463	3.6
119.03539	2.1
161.04535	1.6
174.01772	1.4
183.13914	6.0
193.12340	1.3
211.13416	100.0
212.13762	1.8
253.14433	1.0
289.18311	1.4
307.19061	1.5
373.18860	1.5
405.26453	9.1
419.09906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16262	0.3
59.01384	1.2
61.43296	0.3
61.98834	100.0
66.23046	0.3
71.01385	0.8
71.35931	0.4
75.53224	0.3
83.96254	0.3
87.53421	0.3
89.02460	0.6
101.02499	0.4
101.81303	0.3
113.45791	0.3
169.22861	0.3
171.84474	0.3
304.09906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98834	100.0
62.23135	0.2
64.59279	0.2
66.35053	0.2
70.18591	0.7
71.01388	0.7
73.02949	0.4
85.02949	1.1
99.59474	0.2
101.02473	0.6
103.41280	0.2
106.08067	0.2
115.00385	1.1
121.02975	0.3
125.14281	0.2
133.01434	2.2
155.10820	0.2
161.02467	0.3
161.04625	0.3
164.79019	0.2
199.09784	0.6
295.97754	0.2
361.15433	0.4
402.38193	0.2
555.20691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
61.98836	100.0
70.06121	0.6
71.01389	0.7
71.04636	0.5
71.39190	0.7
85.02964	1.1
87.45135	0.5
87.69785	0.5
112.69295	0.5
115.00407	1.5
135.04550	0.6
139.70769	0.5
142.99913	1.7
161.02522	1.2
162.83971	0.6
175.02444	1.3
251.95374	0.5
268.41895	0.7
329.10345	0.5
360.90079	0.5
406.68790	0.5
408.28918	0.6
471.25708	0.6
523.21674	0.8
586.26135	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	586.31
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82264	0.9
58.02969	1.9
59.01374	2.5
68.36543	0.9
69.50787	1.6
69.51180	2.4
69.67249	0.9
71.01379	1.5
72.90272	0.8
73.04079	6.9
82.06625	2.0
84.04543	3.3
85.02949	2.1
87.05644	11.7
94.06615	1.0
97.04098	2.2
98.02457	3.5
99.05708	1.1
101.02471	1.1
102.05618	34.2
110.02496	1.7
115.00358	0.8
115.05139	18.5
124.91310	0.9
126.06734	13.6
127.05138	1.3
128.03551	100.0
129.03928	2.1
129.10352	3.2
130.07774	1.3
130.08746	24.3
135.04601	1.1
139.08755	1.4
140.06125	1.3
140.07143	5.9
144.07803	10.2
146.04607	33.0
153.10324	1.8
155.11884	4.7
157.13475	1.1
168.07793	22.8
169.06154	0.9
171.15063	5.1
182.12872	1.5
183.11403	3.0
186.08853	16.0
197.12872	2.4
199.18123	2.4
207.15005	2.0
208.13371	1.8
215.14020	4.5
224.17647	1.2
225.16113	3.6
230.11478	1.1
241.12030	1.7
242.18840	1.5
243.17070	1.3
252.20888	2.5
259.13031	2.1
270.21774	4.5
275.62598	0.9
284.23370	1.7
295.21414	1.1
303.86203	1.0
311.38785	0.8
313.22549	0.9
314.20868	2.4
327.24008	1.0
328.22256	1.9
339.24066	1.3
355.27081	2.1
395.22693	1.5
399.25974	5.1
413.24084	39.0
439.25317	1.5
457.26617	14.4
498.29468	2.4
542.28345	75.0
543.28766	4.6
568.29681	2.5
586.30963	90.3
587.31433	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	587.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03452	18.0
59.01390	10.4
61.98817	1.6
68.99809	1.7
70.74271	2.5
71.01096	1.4
71.01395	14.6
72.99302	3.1
73.02969	8.1
74.02444	1.6
75.00887	1.9
79.95752	1.6
80.53891	1.4
83.01391	17.8
84.02171	3.6
85.02957	100.0
87.00883	2.1
91.01958	1.3
96.96013	8.2
99.00867	3.4
101.02449	3.3
106.00592	1.7
108.02209	1.9
111.00886	34.5
115.00385	15.1
117.03468	2.7
120.51805	1.5
121.02967	33.7
123.00903	7.3
127.00397	1.5
129.01953	57.5
133.01428	22.8
133.02945	2.4
134.03757	27.1
135.04562	1.7
137.02446	5.2
138.03242	7.1
139.00333	2.5
140.81467	1.8
147.03026	9.8
147.04547	1.3
149.06094	6.3
151.00159	5.0
153.02028	1.5
153.05585	24.0
154.99771	1.5
160.01656	13.5
161.02460	3.6
162.03302	1.7
163.41403	1.4
163.91826	1.5
166.99800	4.8
173.00882	13.4
174.03227	2.5
175.04021	15.6
175.13632	1.4
178.02663	4.1
182.02261	23.8
189.05585	3.1
191.01945	9.3
191.03479	2.7
193.05063	23.5
194.99141	2.9
197.04559	64.8
200.00932	4.1
207.06630	2.1
213.00136	8.5
215.03264	8.1
219.02762	6.8
229.04787	2.4
235.99423	7.2
237.03946	2.9
251.01846	1.6
257.04285	5.1
261.07681	8.8
265.07260	6.8
281.02716	2.8
283.05850	5.8
287.05295	3.4
301.06973	3.2
305.06519	10.2
323.07999	1.5
327.07257	2.1
339.11908	2.0
345.05963	6.4
347.03790	4.6
349.05405	5.4
367.06531	1.9
389.04947	6.8
393.04416	30.4
394.05011	1.5
411.05481	7.4
413.08334	3.7
493.09903	1.7
603.37415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09735	0.6
56.69710	0.7
57.03436	1.3
59.01384	43.7
67.22714	0.8
67.70616	0.6
69.03452	1.0
71.01384	20.1
71.39995	0.8
72.99314	3.8
73.02965	4.2
75.00883	4.5
83.01393	1.8
85.02960	7.4
86.00099	2.9
87.00874	1.0
89.02450	3.8
91.01943	0.7
95.01379	0.8
96.96008	2.2
99.00929	0.8
101.02455	3.2
111.00884	1.1
111.04537	0.8
113.02463	3.8
115.00388	47.0
116.92886	1.9
121.02956	1.0
129.01944	2.1
133.01442	100.0
134.01791	0.9
135.04535	1.0
138.03232	0.8
141.01949	1.9
160.01660	1.7
161.04616	1.6
173.00912	0.9
175.04004	3.0
179.03427	0.9
191.02031	0.9
197.04547	3.0
213.00266	1.6
223.13431	3.1
232.25194	0.7
265.14551	1.3
267.16183	0.7
285.17133	4.3
295.15613	0.8
345.05988	0.8
393.04437	1.8
509.23941	1.3
527.25085	1.1
587.19580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79453	6.0
59.01386	100.0
61.98837	7.5
71.01385	66.2
73.02947	40.1
77.65623	6.3
77.70723	5.7
84.95113	11.3
85.02946	16.8
89.02457	78.1
99.00889	96.2
101.02452	14.2
113.02436	14.4
120.99710	7.0
125.02453	10.1
128.03580	14.8
131.03485	16.4
133.02943	11.0
149.04587	72.4
152.99571	5.8
155.03462	10.1
161.02420	9.4
191.05684	42.1
203.05603	20.8
233.06555	12.1
380.40106	6.4
397.70029	7.9
446.41104	7.5
587.24982	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	587.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01689	0.7
59.01369	3.5
61.98835	0.9
69.04583	3.1
69.05004	2.4
74.13045	0.7
78.95907	11.2
95.15943	0.8
96.96009	1.7
96.99335	0.9
103.01500	1.8
110.98583	1.3
152.99603	10.4
159.52161	0.8
162.22478	0.8
167.01144	3.1
180.04282	1.2
254.08115	1.8
277.21875	4.6
293.24884	100.0
294.25256	4.0
401.28995	0.8
445.23764	0.9
447.25330	2.1
527.22675	3.2
530.32587	27.1
531.32703	1.2
534.25916	0.9
555.13483	1.0
587.34613	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	587.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39897	1.0
59.01369	3.8
60.10478	1.1
69.04549	8.0
78.56568	1.1
78.95903	28.7
89.87842	1.1
96.96027	2.5
97.78084	1.1
98.22659	1.8
103.01489	2.3
129.24181	1.2
152.99605	15.0
167.01155	1.9
171.00624	1.2
180.04260	1.9
229.34224	1.2
236.06920	5.8
277.21680	3.2
293.24896	100.0
294.25220	2.6
445.23376	2.2
447.25226	4.1
530.32538	54.3
531.32764	3.6
587.34619	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	588.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.6
61.98820	21.2
70.83471	4.5
71.01382	14.5
72.04567	10.5
72.31011	4.6
75.36396	4.2
82.02997	56.8
89.02455	20.8
98.02494	16.1
100.04064	24.4
101.02441	15.2
113.02473	6.4
119.03532	6.7
119.05016	30.1
218.08258	4.8
220.09726	10.0
264.08789	80.2
323.13455	100.0
477.85358	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	588.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	81.1
73.61277	2.8
78.95914	26.4
89.97074	2.1
96.29334	2.3
107.72983	2.1
132.64507	2.6
146.14272	2.3
152.83537	2.7
152.99599	9.3
231.13228	2.5
236.06927	6.5
254.08218	3.0
277.21744	100.0
278.21985	3.0
514.29370	51.6
515.29248	2.5
588.33051	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	588.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06139	0.7
52.49634	0.7
53.23925	0.7
59.01382	34.5
61.98837	0.9
66.54442	0.6
68.73210	0.6
71.39712	1.1
77.31042	0.6
78.95917	6.8
79.54211	0.7
87.89909	0.6
92.98976	0.7
94.99139	0.6
98.99817	0.7
115.16172	0.6
152.99574	3.0
180.04263	1.4
205.29572	0.7
236.06863	1.0
254.07953	2.3
277.21732	100.0
278.22095	4.5
335.51620	0.7
514.29480	19.8
515.29730	1.3
588.33051	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	589.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16800	0.8
59.01384	57.6
61.98839	1.6
69.03461	2.6
70.13639	0.7
70.75963	1.1
71.01387	27.7
71.05047	0.7
72.99313	4.5
73.02953	5.9
75.00896	1.1
83.01385	1.4
85.02962	3.3
85.30695	0.8
87.00900	1.3
89.02458	3.9
93.02300	0.8
96.95999	1.3
99.00903	0.8
101.02453	5.5
113.02472	4.8
115.00387	48.6
116.00689	0.8
116.92878	4.4
121.06567	0.7
133.01447	100.0
134.01775	1.3
135.02051	0.9
135.03041	3.3
137.09734	1.0
146.70242	0.8
161.02472	2.4
161.04544	3.7
185.00867	0.9
189.12862	2.3
203.05681	2.7
207.13939	3.0
225.14999	1.1
378.12195	0.9
387.20306	2.9
429.21429	4.7
445.55814	0.8
589.21301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82342	12.4
57.02198	11.2
59.01392	51.4
61.98835	22.8
69.05698	71.8
71.01379	31.9
72.99245	9.4
77.42266	9.9
85.02950	29.9
91.39135	9.8
99.00909	13.7
101.02444	15.5
109.33371	11.4
113.02508	12.6
115.00375	14.4
133.03055	13.8
171.10350	16.6
185.11853	11.1
199.09724	11.9
210.32242	11.3
223.11337	11.4
242.83392	10.7
293.21198	14.4
473.27499	100.0
490.43466	12.8
534.10687	13.6
589.24622	23.3
611.11755	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	589.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92986	2.9
59.01384	100.0
61.98813	3.2
68.44813	3.0
71.01389	49.3
71.42412	4.3
73.02954	24.5
83.01397	5.7
85.02958	20.5
89.02454	33.9
99.00890	71.4
101.02463	23.3
113.02451	20.2
115.00384	11.5
119.03507	3.9
125.02451	7.3
129.39058	3.0
131.03510	12.0
133.01451	23.5
133.03011	3.4
135.04535	4.7
143.03520	6.1
149.04562	33.2
155.03516	3.1
161.02429	13.4
161.04590	7.8
179.03546	8.0
191.05603	41.5
203.05634	16.0
233.06689	7.8
403.11118	3.5
503.25320	10.0
545.26160	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87131	0.3
72.99306	2.2
75.00879	100.0
78.95911	0.6
86.25539	0.3
113.43641	0.3
219.60246	0.3
229.85983	0.3
277.21921	1.1
279.23364	0.4
454.73096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36624	0.2
63.14349	0.2
67.27670	0.2
72.99309	2.3
75.00879	100.0
76.01217	0.5
90.60502	0.2
98.22711	0.4
111.35825	0.2
118.70085	0.3
119.58107	0.2
121.16682	0.3
141.72757	0.3
160.59938	0.3
211.09351	0.2
211.11589	0.3
260.47366	0.3
277.21771	0.5
278.22055	0.4
279.23398	0.6
378.43726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16826	0.4
51.58189	0.5
57.04609	0.6
59.01385	31.8
61.98836	0.7
63.81490	0.5
70.28691	0.5
70.29012	0.9
71.01380	0.6
78.95914	6.5
81.41948	0.4
82.74886	0.5
92.34080	0.5
96.96939	0.7
98.22555	0.6
104.22938	0.5
143.65698	0.5
152.99561	3.9
180.04343	0.7
236.06964	1.1
254.07974	3.0
277.21759	2.1
279.23322	100.0
280.23669	3.3
418.85544	0.7
505.25873	1.8
516.31018	24.6
517.31104	1.1
590.25159	0.6
590.34296	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	590.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	60.2
60.01693	0.5
69.13369	3.0
74.54558	0.4
78.95913	20.6
80.78764	0.4
83.54025	0.4
87.75795	0.5
90.73777	0.5
96.96949	0.8
117.47026	0.5
122.99451	0.5
139.00023	0.5
143.07396	0.5
152.99600	9.5
156.64886	0.4
180.04341	1.7
189.61519	0.4
194.05875	2.0
235.31975	0.5
236.06929	6.8
254.07973	1.5
277.21869	0.8
279.23322	100.0
280.23691	3.9
305.56168	0.5
433.23700	1.2
505.25891	0.6
516.30988	56.3
517.31256	3.0
590.34540	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	591.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80526	0.8
57.03463	2.4
58.92170	0.9
59.01383	14.7
66.82671	0.7
69.40321	3.2
69.40732	1.5
71.01387	16.0
72.99305	2.7
73.02951	2.3
83.01390	1.1
85.02952	11.6
87.00896	1.0
89.02453	5.2
96.96024	3.1
101.02480	4.5
111.00844	1.4
113.02473	2.8
114.99567	1.5
115.00384	27.9
119.03510	1.8
121.03044	1.3
129.01950	3.2
133.01443	100.0
134.03758	2.6
135.04538	22.4
147.02991	1.7
149.02310	0.9
161.02470	1.6
161.04593	2.3
164.04652	0.8
179.03511	26.2
179.05664	1.6
193.05231	1.9
196.19595	0.9
221.06754	1.2
223.00703	0.9
223.22261	0.8
295.04660	3.4
298.51227	0.9
301.10782	1.4
359.07684	0.9
531.24554	2.0
549.25513	3.4
591.19641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03213	1.2
57.03453	13.8
59.01382	18.8
60.33737	0.8
67.81199	1.0
69.59015	3.9
71.01386	8.6
75.24866	0.9
82.95411	1.0
83.01394	3.2
84.02188	1.3
85.02957	100.0
86.03261	1.1
89.02451	9.0
89.72439	0.9
98.22636	1.1
101.02450	3.9
111.00892	9.6
113.02474	3.3
117.03518	1.3
119.03513	3.5
120.05839	1.1
121.02986	2.1
123.04551	1.7
129.01955	21.2
132.02179	1.5
133.02959	3.2
134.03754	18.5
135.04518	2.0
147.03009	13.5
149.02437	8.3
149.06102	1.9
153.10901	0.9
160.01669	1.5
161.02495	1.5
161.13354	3.9
164.04842	7.9
173.00940	8.5
175.04001	3.5
178.02652	1.1
179.05624	4.0
179.07114	1.6
187.11293	4.2
190.02751	2.4
191.01979	8.6
193.05078	15.8
195.51770	1.0
205.05074	3.4
205.12378	8.1
208.03709	1.2
209.02837	1.3
223.06131	9.3
229.12395	1.5
249.11308	12.9
257.24347	1.1
261.07684	1.7
291.08759	2.0
323.07828	2.7
367.06766	2.2
411.16513	2.9
429.17694	18.1
591.24121	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	591.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
56.54636	0.5
57.03455	12.4
58.79525	0.6
59.01383	8.5
65.43151	0.6
67.60786	0.6
71.01400	3.8
73.02944	0.9
75.00861	0.6
83.01391	2.2
84.02173	1.4
85.02958	100.0
86.03303	0.7
87.00889	1.1
89.02454	1.1
97.02979	0.6
98.22803	1.0
99.00889	1.0
101.02473	1.3
103.00385	0.5
111.00882	7.3
113.02460	2.8
115.00369	1.0
121.02995	1.3
125.02480	0.7
129.01955	15.3
132.02249	0.5
133.01436	1.1
133.02975	0.7
134.03758	6.3
135.01828	0.5
135.04514	0.7
143.04617	0.5
147.03008	15.7
149.02457	5.2
149.06107	0.8
160.01733	1.3
161.02475	2.6
161.04539	0.8
164.04802	3.8
173.00932	5.9
175.04039	1.6
179.03552	1.1
179.05565	0.6
179.07167	0.8
190.02783	2.3
190.65866	0.5
191.01984	37.5
193.05093	5.0
205.05049	2.3
208.03622	0.6
209.03032	9.0
221.06665	0.6
223.06131	6.5
233.04515	0.6
249.11382	1.7
270.61478	0.5
291.08798	2.1
306.32901	0.6
323.07809	1.2
367.06516	0.7
383.61517	0.6
385.07773	2.5
397.07715	0.6
415.08871	2.3
429.17953	0.9
547.28241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17471	0.5
55.01880	2.4
56.74643	0.5
57.03453	12.8
59.01384	4.8
60.01417	0.5
71.01395	3.1
72.99326	0.8
73.02950	1.4
75.00920	0.7
83.01391	4.3
84.02169	1.1
85.02958	100.0
86.03301	1.0
87.00877	1.1
88.29734	0.5
89.02450	0.6
98.42706	0.6
101.02445	1.2
102.88847	0.5
106.03484	0.6
111.00898	11.8
113.02450	1.0
117.03464	2.1
121.02969	2.4
122.03738	0.7
125.02497	0.9
129.01956	21.1
134.03754	20.6
135.04552	1.3
136.01678	5.0
137.02452	1.5
144.53445	0.6
147.03012	13.4
148.96576	0.5
149.02460	8.7
149.06082	2.0
151.00377	1.7
151.04054	4.8
160.01675	2.1
161.02478	1.9
164.04828	5.6
165.05553	0.6
166.02736	4.6
173.00932	8.1
175.00441	1.1
175.04013	3.7
177.05382	0.6
178.02660	0.7
179.07146	1.2
181.05081	4.3
190.02713	4.1
191.01974	8.2
191.03569	0.9
193.01378	1.1
193.05070	17.1
205.05078	3.3
208.03839	1.3
209.03018	0.7
223.06117	7.9
233.04512	0.9
236.84756	0.6
248.07069	0.7
261.07687	2.0
291.08832	2.8
323.07800	2.8
334.70523	0.8
341.14511	0.6
357.10068	1.2
367.06735	2.2
385.07809	0.8
387.14566	10.1
598.98242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.34544	0.5
59.01386	8.5
61.73915	0.5
61.98841	0.9
69.81852	0.4
71.01390	13.2
72.50859	0.5
73.02937	2.5
83.04991	0.6
85.02930	2.3
88.98807	0.8
89.02462	1.7
96.95972	0.5
98.21825	1.2
99.00903	0.5
101.02453	3.1
107.89968	0.4
111.08159	1.1
113.02457	1.3
114.14423	0.5
115.00391	9.6
119.03470	0.9
125.02489	0.7
125.55085	0.4
133.01411	1.4
133.02988	4.0
134.03734	0.6
135.04558	3.9
143.03511	0.6
145.03027	0.9
161.02463	13.7
165.12856	18.9
177.05620	1.2
179.03510	5.0
179.05054	0.6
183.13918	61.4
184.14281	1.1
197.15538	0.8
203.05597	0.5
205.12320	1.4
207.13872	1.7
209.11833	1.4
221.04570	1.9
227.12914	100.0
228.13251	2.9
249.11327	1.0
251.05611	2.2
251.12953	4.0
269.13950	1.8
281.06644	3.6
341.08902	1.0
365.68640	0.5
385.23721	0.7
387.14734	0.6
429.17694	2.1
429.23074	0.7
431.19296	9.4
547.21918	0.8
591.20398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.0
69.58389	6.0
71.01026	2.6
71.01391	28.7
73.02943	4.2
81.26435	1.6
83.01427	1.5
85.02958	27.5
87.00893	2.2
89.02457	10.8
93.76035	1.7
95.01389	9.6
101.02425	5.6
113.02464	57.5
120.89559	1.4
123.04525	7.0
129.01912	1.8
135.04546	33.6
150.03233	3.4
151.04019	10.2
153.05545	2.2
154.10634	1.6
161.04550	5.8
167.03557	2.4
173.88747	1.7
179.05617	1.7
191.05672	2.5
234.75133	1.5
237.02272	7.3
315.10721	3.4
461.16708	100.0
462.16986	7.0
463.17001	2.2
526.76019	1.7
591.19379	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	591.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17486	1.7
57.03448	2.0
59.01386	19.2
61.31262	1.5
68.15371	1.4
70.75945	2.4
71.01391	23.1
73.02945	2.4
82.95425	5.1
83.47315	1.7
85.02957	28.9
85.03416	2.6
89.02455	6.7
89.17960	1.6
95.01396	11.4
98.21951	2.1
99.81290	1.7
101.02454	4.7
113.02461	51.7
118.64944	2.0
123.04536	6.2
129.19070	1.8
135.04535	32.8
161.04573	4.4
167.03493	3.3
205.71628	1.7
315.10889	3.3
461.16699	100.0
462.17093	7.9
591.19409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25967	1.3
53.63213	1.3
57.03442	1.9
59.01385	100.0
70.67075	2.9
71.01383	42.4
72.99330	1.9
73.02940	1.9
83.01396	2.4
85.02947	20.3
86.18583	1.4
87.00886	1.9
89.02451	50.8
95.01386	4.0
99.04523	5.8
101.02448	23.1
107.04990	2.0
111.00879	1.6
113.02442	24.8
113.19348	1.4
116.80208	1.3
119.03519	24.6
120.05781	2.0
129.01909	2.3
131.03543	2.7
134.03752	1.6
143.03499	4.2
159.08174	2.1
161.04544	8.1
161.13359	20.5
171.88350	1.3
172.09048	1.6
179.05602	21.4
185.13367	3.9
187.11302	40.9
188.11604	1.9
191.02106	1.7
205.12340	46.0
219.13977	1.5
229.12343	12.4
231.10197	2.8
233.31183	1.4
247.13391	5.3
249.11319	51.2
291.12445	5.1
351.14386	4.6
385.18607	13.0
411.16718	13.1
429.12122	3.1
429.17676	44.3
430.17932	3.0
591.23102	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	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15242	1.6
54.03813	1.6
55.01885	4.3
57.03449	13.8
57.08440	1.8
59.01387	73.2
63.01155	1.7
69.04072	12.9
69.60496	1.6
71.01389	34.8
71.97141	1.5
73.02936	2.2
82.81434	1.7
83.01408	5.8
83.22830	1.5
85.02959	100.0
87.00896	4.0
89.02454	34.5
93.86460	1.8
95.01407	2.9
99.04522	4.2
101.02444	17.9
111.00877	9.3
111.04480	1.8
113.02476	16.3
119.03488	14.0
121.02954	2.5
125.02415	1.6
129.01944	20.1
133.02933	3.5
134.03729	15.1
143.03549	3.7
147.02991	14.7
149.02412	11.0
161.02420	1.9
161.04582	5.3
161.13351	14.1
164.04805	6.7
173.00961	4.7
175.04019	2.4
179.05664	12.7
185.13434	2.4
187.11308	21.8
190.02806	2.0
191.02028	7.0
193.05057	11.3
205.05199	2.9
205.12349	34.0
223.06122	7.6
229.12294	4.9
247.13281	2.3
249.11324	56.7
249.96561	2.1
255.16022	1.9
261.07590	2.2
291.08905	2.2
291.12375	3.8
323.07944	2.1
351.14572	2.5
374.12747	1.6
385.18768	5.7
411.16620	12.4
429.17679	87.9
430.18170	5.5
591.23871	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	591.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60225	1.7
55.01858	1.6
57.03454	3.9
58.00578	1.9
59.01385	100.0
69.07926	3.5
69.08329	7.7
71.01385	51.0
72.99299	1.4
73.02959	5.1
80.91687	13.1
83.01397	5.2
85.02956	47.1
86.69294	1.6
87.00884	2.8
89.02454	48.1
95.01405	4.5
95.05041	1.8
98.21906	3.8
99.04528	4.3
101.02446	28.1
104.55275	1.3
105.07090	1.6
111.00904	6.0
113.02460	33.8
119.03516	21.5
125.02494	2.2
129.01926	7.0
134.03770	6.4
135.04558	2.3
142.55582	1.6
143.03505	6.7
147.02989	3.9
149.02524	1.9
159.11787	2.3
161.04556	12.5
161.13400	14.5
173.00949	4.2
173.21021	1.6
179.05635	20.1
185.09709	1.7
185.13354	3.4
187.11308	33.6
191.01996	4.8
193.05069	4.9
205.12369	40.3
223.06197	3.3
229.12329	15.5
241.12526	2.0
247.13531	4.3
249.11348	46.8
288.85977	1.6
291.09189	1.9
291.12448	6.2
311.09085	1.9
351.14319	5.3
369.14694	3.0
385.18726	9.2
390.37976	1.7
411.16666	15.3
429.17636	34.9
549.25623	3.6
591.24249	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	591.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81644	0.3
59.01364	0.4
61.98839	3.2
69.05192	0.6
69.05590	2.6
70.80087	0.4
80.96511	1.4
85.63111	0.4
95.73680	0.3
98.21803	0.6
99.00885	0.4
99.86866	0.4
115.53074	0.3
131.23119	0.4
139.16507	0.4
156.78688	0.3
175.04022	0.4
188.04773	0.5
236.94279	0.3
246.31165	0.4
255.10291	1.2
257.15482	0.6
267.10229	0.8
269.11816	1.1
270.12704	0.7
281.12067	0.5
283.13412	0.6
285.14999	19.5
286.15277	0.9
299.12521	0.3
311.13214	0.7
311.16547	5.6
313.14536	0.7
327.15994	1.6
328.16806	0.7
329.17606	100.0
330.17914	4.1
460.16464	0.4
463.23575	0.4
473.22055	0.4
491.22931	15.3
492.23172	0.6
591.24567	4.0
597.38696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2617
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
70.16607	0.9
70.16933	0.5
98.21935	0.9
98.93881	0.5
106.06590	0.6
124.76080	0.5
175.82077	0.5
219.08931	0.5
320.87802	0.5
324.47357	0.6
383.13977	0.5
443.22430	1.6
445.19745	0.7
455.22345	0.8
456.23083	1.0
459.21997	1.5
462.19876	0.6
471.21051	0.9
471.25497	2.1
472.22906	1.0
473.23489	1.4
473.31091	0.6
482.21140	1.5
485.19717	1.3
487.25897	2.2
497.23560	3.5
499.21576	3.4
500.22296	9.3
501.23187	0.7
514.23560	0.7
515.24542	100.0
516.24823	7.1
518.23407	0.7
519.24750	0.6
559.23248	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	591.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40831	0.9
53.15709	0.9
69.33312	5.5
74.02600	1.0
116.36860	1.0
124.06189	0.9
133.21660	1.0
133.22725	0.9
145.64864	1.0
255.97861	1.0
283.24506	1.0
298.00455	1.1
396.17075	1.1
443.22672	1.9
459.21649	2.2
471.21854	3.6
472.22916	1.5
473.23029	1.2
482.20926	1.8
485.19882	2.3
487.24988	3.7
497.23489	4.1
499.21326	3.0
500.22031	12.9
515.24542	100.0
516.24774	6.4
559.23560	2.8
560.64026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.7
57.03468	4.8
58.05029	0.9
59.01384	100.0
62.12780	0.9
62.49594	0.9
64.79739	0.8
69.03468	2.3
69.19958	5.0
71.01388	72.2
72.99321	1.3
73.02952	19.7
75.00862	1.8
83.01401	11.7
83.04999	1.1
85.02959	30.2
87.00859	4.7
89.02457	23.1
95.01385	5.1
97.02946	3.0
98.22717	1.5
99.00888	6.5
101.02453	54.3
111.00916	1.6
113.02461	39.8
113.70025	0.8
117.78645	0.8
119.03513	7.2
120.02180	1.9
121.02960	17.1
123.04532	1.0
125.02449	6.9
129.01924	1.8
131.03525	4.2
143.03552	5.1
151.45198	0.9
159.02991	4.1
161.04572	27.4
179.05658	4.9
209.04596	12.4
217.24738	1.1
221.06703	6.7
263.07736	1.5
369.19141	2.5
387.20343	10.9
414.64566	1.1
429.21341	9.0
500.09760	1.1
531.24683	2.9
538.84222	0.9
549.25507	42.0
550.26093	3.7
590.07056	1.3
591.26630	47.9
592.26825	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	591.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93498	0.7
55.01870	2.0
57.03457	2.8
58.00604	0.7
59.01384	100.0
65.38796	0.6
69.03457	0.8
71.01387	49.4
71.41316	0.6
72.01712	0.6
72.20015	0.6
72.99313	1.5
73.02946	10.8
73.03319	0.9
75.00900	0.6
79.78304	0.6
83.01397	5.0
85.02965	21.6
87.00885	3.5
89.02450	33.2
95.01396	5.3
97.02965	1.4
99.00918	2.0
101.02448	28.4
111.00899	0.9
113.02459	35.7
119.03506	13.2
119.04317	0.7
125.02467	0.9
129.02003	1.8
129.28336	0.6
131.03529	3.6
134.03783	0.7
137.09773	1.3
143.03510	4.3
147.02997	1.0
147.70998	0.6
149.02582	0.9
149.04585	1.0
155.03375	0.7
159.03024	1.5
161.04575	12.4
175.33226	0.6
179.05624	10.5
179.06985	1.1
189.13033	0.8
191.02032	1.6
193.05191	0.9
207.14026	1.2
221.06752	1.2
225.15150	1.2
301.10825	1.2
341.12781	0.6
351.18173	0.7
369.19153	5.8
374.29166	0.7
387.20221	5.0
531.24506	27.3
532.24854	1.3
549.25568	21.3
550.26239	0.9
591.27289	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	591.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14612	1.4
51.69399	1.7
55.01886	4.0
55.31299	1.9
57.03444	3.7
59.01384	100.0
69.03460	2.8
70.26697	1.7
70.74261	1.7
71.01389	67.0
73.02961	22.3
73.42802	1.6
83.01379	13.1
85.02956	26.4
87.00901	4.6
87.05830	1.6
89.02459	26.0
95.01408	5.0
97.02951	4.5
99.00896	6.0
101.02452	52.9
102.91375	1.7
113.02454	39.2
119.03481	9.1
121.02965	38.4
125.02454	7.5
131.03532	2.7
131.99638	1.6
143.03534	8.0
151.04045	1.7
159.03004	4.8
161.02501	2.5
161.04578	24.1
179.03575	1.6
179.05621	6.1
205.12457	1.8
209.04573	26.5
221.06726	5.1
225.15016	2.3
239.68486	1.7
249.11507	2.0
306.27740	1.6
349.65631	1.6
369.19174	2.2
387.20184	11.2
428.86819	1.7
429.21484	10.0
531.24463	7.1
549.25586	50.4
550.26123	3.3
591.26581	49.0
591.35425	3.5
592.26886	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	592.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.39264	0.3
71.62008	0.2
79.67959	0.3
80.96524	0.3
108.73709	0.2
119.64108	0.3
146.58434	0.3
190.43178	0.3
195.48747	0.3
217.32573	0.3
494.76123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
61.18676	0.5
61.98835	100.0
79.95756	2.0
80.96530	6.0
86.03402	0.5
93.93818	0.5
94.33899	0.5
94.98118	1.5
96.33981	0.5
98.57433	0.5
121.03002	1.3
152.98688	0.6
164.98627	0.7
165.01843	0.6
199.06299	0.6
225.00868	1.3
255.03079	0.9
276.77097	0.5
285.04059	0.8
375.04919	0.6
395.27777	1.2
592.25305	1.8
593.16235	0.9
593.26312	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	592.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
64.79060	1.2
69.07600	6.8
69.21413	1.3
69.66766	1.2
75.55492	1.2
80.96533	3.4
85.73357	1.2
104.54364	1.4
121.94397	1.9
181.11722	1.3
203.67992	1.8
285.76431	1.4
390.76297	1.3
593.30035	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	592.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.1
78.95906	5.4
99.24691	0.5
128.48822	0.6
152.99612	1.0
165.61044	0.6
168.04347	1.8
224.07004	1.0
242.08098	3.1
248.99802	0.6
277.21866	0.8
279.23279	1.0
293.24899	100.0
294.25208	4.5
327.72882	0.6
510.21799	0.7
518.32581	30.3
519.32831	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	592.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.7
69.15114	3.5
76.17120	0.6
78.95909	20.9
96.96008	1.5
98.21924	1.3
103.45058	0.5
120.98933	0.6
126.69897	0.6
136.05652	0.5
152.99591	4.4
168.04312	3.2
206.89597	0.6
224.06952	6.7
229.99423	0.7
233.46414	0.6
242.08034	2.2
277.21716	0.9
279.23227	3.0
281.24881	15.8
282.25403	0.7
293.24893	100.0
294.25229	4.7
319.26605	0.6
373.62711	0.6
422.19397	0.6
465.59006	0.5
507.27374	1.2
518.32556	67.2
519.32977	4.1
531.33344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84272	0.5
58.64992	0.5
59.01391	0.9
59.16187	0.5
63.02398	1.0
65.00329	1.0
83.01390	0.7
85.02961	0.5
85.29733	0.6
93.03463	1.3
98.21829	1.4
107.01392	2.8
117.03484	3.1
119.05041	2.7
123.04494	0.7
132.02196	1.1
133.02971	0.7
135.00893	1.9
143.05023	1.0
145.02975	13.2
151.00389	6.3
157.06607	0.9
159.04478	1.3
163.00410	2.3
163.04024	2.4
164.01268	0.7
165.01936	0.6
167.03500	1.9
169.06618	1.3
171.04439	1.0
183.04459	1.5
184.05263	0.6
185.02504	0.5
185.06088	2.5
187.03987	2.8
189.05615	1.2
195.04620	0.9
197.06070	0.9
199.04047	1.3
210.89310	0.6
211.03967	2.8
212.04649	1.0
213.05571	2.4
227.03516	40.8
228.03935	2.2
229.05078	9.8
239.03508	2.4
240.04274	1.2
241.05058	1.6
255.03004	67.9
256.03720	7.2
257.04605	7.4
267.03015	0.7
284.03284	81.4
285.04062	100.0
286.04431	2.6
307.08276	4.9
447.09348	4.4
488.84940	0.7
529.99701	0.6
593.13025	84.0
594.13434	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	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44450	0.4
56.97853	0.4
59.01380	1.2
63.02409	1.0
65.00332	1.1
69.14283	3.1
80.67352	0.5
81.67577	0.4
83.01402	1.3
84.72932	0.5
85.02956	1.6
93.03487	1.9
107.01395	2.9
108.02172	0.7
115.00394	1.1
117.03486	3.9
119.05033	3.2
131.05052	0.7
132.02170	0.8
133.01404	2.4
133.02963	0.9
135.00885	1.5
135.04507	0.8
143.05000	0.7
145.02963	12.8
151.00409	5.8
157.06592	0.7
159.04523	1.2
161.02478	1.6
161.06070	0.5
162.47122	0.5
163.00383	2.2
163.04004	2.4
164.01059	0.7
169.01488	0.6
169.06636	0.5
171.04492	0.5
178.28844	0.6
183.04631	1.3
185.06061	2.5
187.04027	2.7
189.05568	1.7
195.04582	1.3
197.06155	1.2
199.04054	1.4
200.04849	0.7
201.05592	0.5
209.03093	0.6
211.04079	3.0
212.04892	0.7
213.05615	1.7
227.03522	41.4
228.03996	1.2
229.03009	0.8
229.05089	9.7
239.03519	1.8
241.05145	1.0
248.90860	0.6
255.03009	71.3
256.03714	8.3
257.04590	8.5
267.03030	0.8
283.02567	0.8
284.03293	75.9
285.04068	100.0
286.04388	3.3
307.08221	5.0
447.09357	4.2
448.02307	0.5
488.88177	0.6
496.89944	0.5
502.89343	0.6
593.13031	79.3
594.13605	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	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49949	0.2
67.78902	0.2
70.29918	0.4
77.03970	0.3
89.96825	0.2
120.02178	3.3
121.02968	100.0
122.03316	1.6
131.99208	0.2
135.68137	0.2
136.01707	0.2
149.37177	0.2
150.55070	0.2
165.00555	0.3
165.01936	4.2
180.05820	0.2
181.06610	2.1
191.03482	0.2
197.06105	2.0
207.04533	0.8
207.08154	0.3
209.04561	56.4
210.04968	1.0
225.05609	1.5
234.15924	0.2
257.09760	0.6
301.08755	0.2
313.07224	1.9
357.06171	1.1
381.57764	0.2
383.07724	1.5
401.08755	0.3
417.09784	1.0
431.11618	0.2
461.08786	0.2
505.11523	2.9
549.02051	0.4
549.10474	6.2
550.10968	0.7
593.13049	10.1
594.13043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Datiscin
Peak:m/z	Relative Intensity
56.80699	0.6
58.87814	0.5
66.88379	0.6
69.11895	1.4
69.12293	3.1
73.00776	0.6
73.41837	0.6
74.09355	0.5
85.02955	1.3
93.03475	0.7
106.60551	0.6
107.01382	1.7
119.81346	0.7
125.02439	0.7
127.51040	0.6
132.02165	1.2
135.00905	1.4
151.00337	3.8
163.00429	1.3
183.04509	1.0
185.06058	0.9
187.03966	1.5
211.03996	1.7
213.05653	0.8
213.87430	0.6
227.03506	31.4
228.03987	1.3
229.05035	4.2
239.03619	1.4
255.02998	63.0
256.03696	5.4
257.04510	3.2
284.03281	92.0
285.04031	37.4
286.04401	1.5
327.05139	1.5
433.89569	0.6
544.43909	0.7
593.15155	100.0
594.15594	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.0
69.06792	7.4
69.42566	0.9
71.01389	2.3
72.14608	1.0
85.02973	2.8
87.18689	1.1
89.02431	1.2
101.02424	1.3
108.02185	53.1
109.02975	19.8
113.02428	1.9
117.03448	2.5
121.02908	1.0
133.02977	2.2
134.03752	23.7
135.04573	8.7
149.06041	2.5
151.03973	2.3
152.01164	100.0
153.01807	3.2
160.01569	1.6
161.02435	4.8
163.03972	2.2
175.04039	2.5
178.02737	1.3
179.03502	8.0
193.05069	8.7
193.56461	1.2
215.86319	1.0
241.07196	2.4
255.02997	2.5
284.03253	2.6
285.03909	2.4
310.21832	1.0
347.99908	1.3
366.20471	1.1
399.09326	13.3
417.10452	39.0
418.10913	2.0
433.20547	1.6
593.14996	65.9
594.15582	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73214	0.5
53.11959	0.5
57.03453	1.3
59.01381	1.6
63.02396	0.7
65.00338	0.6
70.95619	0.5
83.01424	0.6
85.02962	8.3
85.20506	0.5
93.03475	1.8
93.45016	0.5
95.01441	0.5
107.01353	2.5
109.02926	1.0
113.02439	1.4
117.03547	0.7
117.61593	0.5
129.01935	0.7
132.02162	0.7
135.00917	1.4
135.04567	1.1
143.05103	1.1
147.03001	1.1
151.00346	2.7
157.06734	0.6
159.04568	1.6
163.00392	2.3
167.05052	0.9
169.06572	1.3
171.04544	0.9
174.03287	0.6
181.43605	0.5
183.04515	0.9
185.02440	0.6
185.06076	2.7
187.04091	2.8
189.05615	0.8
191.00281	0.7
191.01884	2.8
195.04498	0.9
197.06122	0.9
199.04034	0.9
200.96788	0.6
201.05737	0.7
211.03986	3.4
213.05655	2.2
227.03516	37.5
228.04155	0.7
229.05069	14.6
239.03513	2.1
241.05016	1.4
243.03084	0.7
255.02997	65.1
256.03647	6.3
257.04578	9.0
267.02899	1.1
284.03287	77.8
285.04062	100.0
286.04514	3.1
291.49576	0.6
305.98657	0.6
327.05096	0.6
342.11145	0.6
460.30090	0.7
464.76276	0.5
593.15131	99.7
594.15436	5.0
620.91919	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	593.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
60.99312	15.3
70.81137	0.4
71.01378	1.0
85.02956	0.8
88.98812	100.0
89.02444	2.0
101.02431	0.6
113.02449	1.1
119.42897	0.3
135.04535	0.7
146.86302	0.3
179.05606	0.5
310.84650	0.3
379.10303	0.4
471.97040	0.4
503.16235	1.3
593.20844	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	593.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
60.99312	15.3
70.81137	0.4
71.01378	1.0
85.02956	0.8
88.98812	100.0
89.02444	2.0
101.02431	0.6
113.02449	1.1
119.42897	0.3
135.04535	0.7
146.86302	0.3
179.05606	0.5
310.84650	0.3
379.10303	0.4
471.97040	0.4
503.16235	1.3
593.20844	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	593.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55812	2.8
57.02641	2.3
57.06553	2.6
59.01385	100.0
71.01395	32.1
71.22886	3.1
73.02956	34.3
83.01387	6.7
85.02955	22.0
88.98802	5.3
89.02463	18.7
93.47665	2.4
101.02459	27.8
113.02468	19.8
118.21674	2.3
119.03524	9.4
121.02959	5.3
137.06085	5.5
138.03246	2.6
139.03992	10.4
143.03499	3.1
143.11853	2.7
149.04556	3.6
155.03513	2.4
159.17233	2.3
161.04610	11.9
165.05623	15.2
172.21976	2.5
179.05586	5.9
210.31320	2.3
231.13554	4.3
280.86990	2.5
289.09143	3.1
296.38278	2.4
325.80850	2.3
327.10895	5.2
366.99268	2.5
387.13388	2.7
447.08936	2.7
452.99130	2.7
489.16034	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	593.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65929	0.6
55.01880	1.8
55.52081	0.7
56.37901	0.6
57.03440	2.9
59.01383	20.8
64.48776	0.7
64.97433	0.6
70.75196	1.2
71.01382	22.2
71.93673	0.8
72.99304	0.7
73.02946	1.5
79.03033	0.7
83.01381	1.0
85.02957	23.2
87.00886	2.1
89.02452	9.2
89.23000	0.7
95.01395	9.2
101.02445	4.9
113.02460	43.2
114.14308	0.7
119.03509	2.1
123.04531	3.2
131.03490	3.2
135.04535	32.8
142.07944	0.7
143.03485	0.8
149.04614	0.9
153.05571	2.1
155.04475	0.8
161.04584	3.0
186.05324	0.8
191.05637	1.7
297.09891	1.5
301.34698	0.7
315.10855	3.4
461.16696	12.5
470.04092	0.7
558.33209	0.7
578.74457	0.8
593.20886	100.0
594.21155	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49574	0.3
55.17350	0.4
57.03452	2.2
59.01384	20.1
69.03458	0.4
69.46444	1.5
71.01387	22.6
73.02953	1.5
83.01391	1.3
84.02158	0.5
85.02959	22.5
87.00879	2.4
89.02451	11.0
95.01392	9.7
97.02961	0.5
101.02467	5.4
113.02461	41.6
114.02796	0.5
119.03514	1.8
123.04528	2.8
131.03513	3.5
133.76030	0.4
134.03757	0.7
135.04541	33.4
143.03543	0.8
149.04541	1.1
153.05560	2.2
161.04590	2.2
174.10820	0.3
191.05605	1.5
236.44226	0.4
281.73938	0.4
297.09799	2.1
315.10870	4.0
425.18619	0.4
461.16638	12.7
462.17050	0.5
503.16724	0.6
512.88477	0.4
576.62225	0.5
593.20905	100.0
594.21313	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	593.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
58.48249	1.8
58.56454	1.7
59.01383	62.7
62.36692	2.1
62.70104	1.7
69.74947	2.2
69.75282	8.5
71.01389	24.5
73.02950	17.3
73.32369	2.0
75.00852	2.2
80.22527	2.1
83.01394	4.1
85.02952	16.7
89.02444	12.6
98.21931	2.3
99.00868	2.6
101.02453	23.7
109.03002	3.2
113.02462	12.5
119.03520	5.9
121.10279	3.5
134.03719	4.2
140.32529	2.0
150.03232	4.6
161.04620	3.7
165.05603	2.9
165.09296	4.7
168.00711	3.0
175.03976	2.0
191.01981	3.7
193.05092	7.5
195.06714	3.4
231.53792	2.1
301.16406	2.8
318.45697	2.2
327.14539	2.3
341.10452	2.7
345.15573	58.5
387.16644	100.0
387.21692	5.1
388.17221	2.6
593.11572	3.8
606.21973	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03743	1.0
54.57794	1.1
54.82868	1.2
55.01891	1.8
57.03451	5.6
59.01383	26.6
63.02392	1.2
71.01389	20.5
72.99308	1.6
73.02952	5.0
75.00872	1.5
83.01404	4.7
85.02956	45.6
85.70684	1.0
87.00858	2.6
89.02446	11.4
91.17060	1.1
95.01403	3.9
99.00912	1.1
101.02441	11.2
107.01434	1.6
108.02184	1.0
109.02948	1.8
111.00877	1.4
113.02451	21.0
115.00394	2.3
116.07878	1.0
119.03524	4.9
123.04492	2.1
129.01964	5.3
131.03510	3.1
132.02217	1.1
133.01422	3.4
133.02988	2.4
134.03804	1.7
135.00880	1.4
135.04524	12.4
136.65892	1.1
138.29976	1.3
143.03535	2.2
143.04654	1.4
145.79622	1.2
147.03040	6.7
151.00348	2.2
161.02472	5.4
161.04552	6.0
173.02438	1.0
174.03238	1.3
179.03452	1.3
179.05635	9.6
183.04535	1.5
183.10313	13.0
186.33032	1.1
191.01987	13.9
193.04947	1.6
207.10307	2.2
209.03079	3.3
211.04085	2.5
221.06705	6.6
225.04141	1.4
227.03511	38.7
228.03990	1.1
237.11528	1.3
238.85146	1.3
255.02992	77.1
256.03577	6.3
257.04535	2.4
263.07733	3.2
282.05383	1.3
284.03293	100.0
285.03903	16.3
383.07645	1.3
387.16495	3.2
404.81955	1.3
429.08228	1.8
461.16599	3.9
593.13916	56.3
593.22687	9.8
594.14423	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	593.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
69.16051	1.2
69.16460	2.9
71.22163	0.6
74.73490	0.6
78.95911	66.5
83.54910	0.6
86.63653	0.6
91.37551	0.6
95.84005	0.6
96.96970	13.7
99.77027	0.6
103.88798	0.6
104.18028	0.6
150.98012	1.1
152.99597	54.4
155.60558	0.6
223.00217	1.6
241.01202	31.5
242.01640	0.9
259.02200	0.8
277.21735	47.4
278.22034	1.5
294.10764	0.7
315.04916	10.3
333.05847	0.7
356.82147	0.7
413.21091	7.5
593.27368	100.0
594.27606	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
69.24458	4.2
78.95910	69.1
83.17437	0.7
89.75819	0.7
96.96962	14.7
96.97970	0.9
98.21858	1.8
152.99606	100.0
171.00632	3.0
223.00143	10.5
241.01207	24.3
259.02112	1.3
277.21759	49.2
278.22107	2.8
315.04892	16.9
333.05933	1.3
593.27386	88.5
594.27692	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	593.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.3
60.71884	1.6
61.98816	2.3
71.01390	14.5
73.02934	5.6
83.01369	2.0
85.02950	11.8
89.02464	3.6
91.95563	1.6
95.01434	1.7
96.96007	8.0
99.00887	5.4
101.02441	8.9
113.02441	6.7
127.11306	2.5
135.04504	6.3
156.00606	2.9
161.02475	4.2
161.04526	4.2
171.10286	100.0
172.10449	1.7
179.03516	3.3
235.04343	4.6
236.04628	2.1
289.16571	23.2
421.20862	18.9
464.28339	2.0
540.12469	1.8
593.20941	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97984	4.7
59.01382	100.0
60.71525	5.7
62.68354	4.8
71.01386	32.0
73.02959	13.1
82.95403	12.6
83.01404	8.3
84.72515	4.6
85.02963	30.3
101.02437	14.1
101.85619	5.7
109.91174	4.9
110.56786	5.3
113.02484	13.7
133.03043	5.6
135.04558	6.7
153.81746	5.4
161.02452	14.6
227.03516	9.8
250.10579	5.2
255.02808	6.1
284.03238	12.1
284.59677	5.8
285.04025	24.1
299.95694	5.6
345.29929	9.0
420.90228	6.3
489.34381	59.9
497.37476	7.7
507.35306	14.7
593.14142	12.1
593.28027	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	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77742	6.7
56.54350	5.5
59.01385	100.0
61.98844	8.3
69.65442	7.3
69.65781	20.7
71.01386	14.4
74.21016	5.8
85.02964	20.1
89.02468	6.3
103.07542	5.7
113.02449	10.7
116.94730	5.5
155.76025	5.8
158.89146	5.8
214.50841	6.1
227.03534	8.6
248.59311	5.8
255.03026	16.9
284.03271	27.3
285.04126	32.2
291.13132	6.0
334.48770	5.6
345.30057	13.9
489.34216	49.6
507.35080	10.3
593.13403	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	594.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
86.68724	1.1
91.37476	1.2
98.02489	13.6
99.92592	36.7
100.93403	2.3
106.04269	1.3
109.93333	1.4
113.02409	2.0
115.92085	5.0
116.92888	4.5
119.05025	4.8
123.97714	1.3
125.92903	3.9
135.04552	1.8
142.93214	1.5
166.96809	1.2
203.98798	1.9
218.08107	1.4
241.01976	13.1
257.01569	2.9
259.03091	8.7
261.99399	1.6
264.08710	2.0
269.01498	3.9
277.04059	2.4
285.01233	1.6
287.02539	3.4
321.03098	1.9
331.01550	100.0
332.01587	5.1
520.09540	1.5
532.09650	3.1
594.20886	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	594.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12081	0.9
59.01392	2.4
60.48114	0.8
61.98835	100.0
71.01395	1.4
82.95461	1.0
83.82771	0.8
84.95126	1.3
87.04523	5.3
87.58485	1.0
94.78367	0.9
96.96019	1.1
99.92628	1.2
116.92883	5.6
117.92877	2.8
204.43117	1.1
247.32854	1.2
266.40097	1.0
269.04504	1.2
339.30753	1.1
432.88516	1.1
469.29501	1.5
531.29736	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	595.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66327	0.3
59.01380	2.4
61.98815	0.8
64.97080	0.3
68.94434	0.3
71.01388	0.8
78.95898	0.4
82.95427	0.5
83.01400	0.5
84.93890	1.5
85.02967	0.5
86.21743	0.3
96.96017	3.5
98.95588	1.5
99.00879	0.6
99.62006	0.3
99.92593	16.4
100.90446	0.4
100.92676	0.5
100.93370	9.6
101.02492	0.5
103.00366	0.5
112.98401	0.3
113.02480	0.4
114.93431	0.6
115.92092	16.4
116.92872	100.0
117.92884	2.4
117.93607	0.5
121.49235	0.3
128.03543	0.3
128.92882	0.4
132.92355	0.4
140.92845	0.8
141.93697	1.5
142.94426	1.9
144.78210	0.3
155.10812	0.7
156.92346	0.8
158.93968	0.7
161.02441	0.4
167.95213	0.3
169.93143	0.7
170.93916	0.3
173.92612	0.4
174.93373	0.4
183.94771	0.5
184.91859	2.2
184.95396	0.3
185.92693	0.6
186.93442	0.5
196.95448	0.6
201.42575	0.3
212.95000	0.4
226.96510	0.4
241.95245	0.4
242.96056	1.3
259.96347	0.4
283.65182	0.3
333.07864	0.4
338.56079	0.3
345.96390	0.6
408.32657	0.3
450.06329	1.0
473.09134	1.3
491.10190	4.8
492.10181	0.3
509.11227	3.6
515.09894	0.5
521.11121	1.1
533.11316	2.0
551.12305	4.2
552.12842	0.3
559.09076	1.5
595.11298	11.7
596.11920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08614	1.1
52.40090	1.1
57.03423	1.3
58.79253	1.0
59.01375	3.0
59.12621	1.2
62.46611	1.1
69.17953	7.0
71.01382	1.4
72.17730	1.2
73.02919	1.7
81.46677	1.1
82.95424	1.2
83.01402	1.6
84.95124	2.1
85.02958	12.3
95.01411	1.2
101.02433	1.4
103.35886	1.0
107.01379	1.8
115.08650	1.1
117.82644	1.1
121.02973	4.2
123.00891	3.9
124.01675	14.2
125.02464	8.1
129.01955	3.6
133.02936	1.4
134.03703	1.7
135.04544	11.2
149.02374	2.0
149.99609	18.3
151.00401	10.4
161.02440	3.5
163.00339	1.6
168.00650	46.2
169.01442	5.7
178.99922	3.7
179.03487	4.8
191.01923	1.7
197.04590	2.3
227.03529	1.9
243.03017	6.8
255.03036	16.3
271.02505	34.6
272.03455	1.1
300.02765	56.1
301.03473	22.4
389.18158	1.5
433.09891	11.8
595.13062	100.0
596.13757	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77876	1.9
50.78923	2.0
57.03442	7.6
57.82118	2.6
59.01379	19.4
60.58340	1.8
60.79554	1.9
69.15479	8.4
71.01381	8.4
73.02949	4.2
79.91833	2.0
83.01375	3.2
85.02955	58.6
85.03462	2.9
86.03287	2.1
89.02451	5.5
98.21902	4.6
101.02457	6.4
109.02953	2.8
111.00903	6.6
119.03528	2.5
121.02962	6.2
129.01959	13.5
133.91563	2.3
147.02977	7.3
148.01649	2.1
149.02461	4.2
149.99524	2.3
151.00389	11.5
153.05545	3.3
163.00352	2.2
164.04791	3.4
167.10797	3.8
168.00685	8.4
173.00940	3.4
178.68005	1.8
178.99847	5.4
182.49316	1.9
191.02011	13.9
197.04552	11.9
205.05058	2.2
213.15083	2.3
220.18639	2.0
222.15169	2.1
223.06096	5.4
227.03412	2.4
229.04819	2.3
241.14441	2.1
243.02968	9.3
255.02969	21.7
271.02499	42.0
272.03207	2.3
300.02774	69.9
301.03519	29.6
327.07230	3.4
347.17136	24.3
366.99615	2.4
371.06567	2.3
371.92593	2.0
389.18091	7.2
595.13110	100.0
596.13544	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	595.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
57.03452	13.5
59.01381	15.0
65.00328	0.8
71.01379	7.6
73.02956	2.6
75.00900	1.1
83.01403	6.1
84.02174	1.4
85.02959	100.0
86.03303	1.0
87.00884	2.7
89.02445	2.1
91.45042	0.7
96.96014	6.6
96.96950	1.5
97.03017	0.9
98.22619	2.3
99.00891	0.8
101.02458	6.5
111.00880	10.4
113.02467	2.7
115.00378	0.9
119.03557	0.9
121.02964	13.1
123.00900	1.5
123.49514	0.9
129.01953	23.7
135.04518	1.8
138.03246	3.0
147.03018	14.7
147.82448	0.8
149.02455	7.1
153.05589	9.5
161.02455	0.9
161.04541	1.0
164.04794	5.8
173.00934	8.6
179.03352	0.9
179.07076	0.9
182.02240	1.7
185.11824	2.1
190.02773	3.3
191.01982	10.3
197.04562	24.7
205.05077	3.8
208.03806	1.6
209.02994	1.1
223.06105	5.5
233.04614	0.8
237.07561	1.0
255.02866	1.7
256.03308	1.4
265.07190	5.0
285.03873	1.9
286.04312	1.4
291.08710	2.7
300.02905	1.1
327.07199	5.8
329.15933	2.2
347.17148	3.4
371.06207	2.9
371.17050	2.3
373.18787	1.1
389.07248	2.8
389.18201	18.3
431.18985	1.5
595.15088	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	595.1672
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
57.03455	10.8
57.25298	1.7
59.01387	8.0
68.15945	1.4
69.18364	8.3
69.18768	3.3
71.01375	6.2
73.02942	1.9
77.47179	1.5
79.01891	2.9
81.03473	3.7
83.01394	6.4
85.02959	60.5
93.03472	7.4
95.01360	2.3
97.02977	4.1
98.22630	3.1
101.02441	2.1
107.01389	6.8
109.02981	1.9
111.00886	6.5
119.05054	38.3
121.02993	7.6
123.00861	2.6
123.04520	3.1
125.02473	11.6
129.01942	13.0
133.02953	2.1
135.04539	4.4
137.02457	6.3
139.04051	6.6
143.05017	6.4
145.02916	7.9
147.03024	6.9
147.04565	2.2
148.01480	1.8
149.02470	7.9
150.03235	3.2
151.00354	3.9
151.04062	3.2
155.03557	1.9
159.45459	1.6
161.02412	2.0
161.06049	2.4
163.00349	3.3
163.04054	3.7
164.04790	2.8
165.01956	7.4
167.03537	11.1
171.04489	1.7
173.00874	4.4
175.04013	1.6
177.01915	6.4
179.03490	4.5
181.05101	2.7
187.04073	7.5
191.01965	19.1
191.03535	3.7
193.01411	11.4
197.04614	7.9
199.07817	2.3
205.01477	9.6
205.05043	3.1
207.02910	4.7
209.04593	4.8
219.03038	4.0
223.02580	1.9
223.06224	3.3
223.09627	1.8
227.07175	3.2
235.02522	15.0
239.05463	2.2
249.04033	1.8
265.03552	6.3
271.06125	7.0
283.05829	2.9
313.07211	20.0
325.07083	8.7
339.08682	3.0
343.08319	6.7
355.08261	100.0
356.08569	4.2
367.08347	4.8
385.09314	83.3
386.09741	3.5
397.09192	4.7
398.13129	1.7
415.10379	24.2
418.28555	1.6
457.11554	9.8
475.12558	38.3
487.12408	7.3
505.13788	10.1
577.15582	4.3
595.16803	76.2
596.17230	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38442	1.3
56.86040	1.4
59.01386	16.2
69.03456	11.4
69.17277	2.3
69.17675	5.2
70.96125	1.2
71.01385	7.9
72.30368	1.2
77.98289	1.4
81.03455	3.1
85.02958	4.2
87.00893	4.0
88.98804	1.5
89.02470	6.5
93.03434	2.3
95.05025	3.0
97.02961	1.8
98.22643	2.0
101.02441	2.8
106.04311	1.7
108.02219	1.4
113.02483	8.0
116.65403	1.2
119.03461	1.3
119.05070	1.4
121.03046	1.4
121.06611	6.0
123.04538	28.6
134.04727	3.2
137.06088	1.8
149.06085	17.3
165.05661	1.3
167.03438	1.9
167.07140	26.3
191.01935	1.8
193.05057	1.3
211.06134	28.7
253.07320	2.7
373.11404	100.0
374.11722	4.8
476.80225	1.9
593.94019	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	595.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25291	0.4
55.01876	2.4
55.75191	0.5
56.01548	0.5
57.03175	0.9
57.03447	13.7
59.01385	7.9
60.13621	0.5
71.01382	5.5
72.99325	1.4
73.02934	0.9
73.77225	0.6
75.00887	3.2
83.01390	3.6
84.02181	1.3
85.02956	100.0
87.00862	1.3
89.02478	2.7
96.95978	0.6
99.00864	1.2
101.02451	1.3
103.00378	1.0
111.00888	7.1
113.02500	0.8
115.00372	1.3
121.02989	3.1
129.01956	16.0
133.01440	0.5
147.03014	15.9
149.02443	2.3
153.05591	2.1
164.04753	1.6
168.00662	1.5
173.00960	5.7
179.10791	0.7
191.01991	41.7
197.04565	4.5
205.05130	1.3
209.03104	4.1
223.06194	2.2
223.09830	1.6
265.07053	0.9
291.08636	0.8
307.93372	0.6
327.07101	0.6
369.73288	0.6
371.06354	0.8
385.09314	0.7
403.16190	1.7
426.05826	0.6
577.17908	1.5
595.19006	16.7
596.19043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21365	0.5
53.97054	0.5
55.01881	2.4
57.03453	11.3
59.01387	11.0
61.98816	0.6
69.20425	1.7
69.20828	1.4
71.01375	4.0
72.99300	0.8
73.02950	2.1
75.00877	2.0
83.01398	3.0
84.02183	1.1
85.02957	100.0
86.03278	0.5
87.00890	1.4
89.02447	1.1
98.21874	1.2
101.02476	1.0
103.00412	0.6
111.00896	9.2
113.02482	1.2
117.03468	9.6
119.05036	3.6
129.01956	16.6
133.02950	0.7
134.03757	9.8
143.05064	0.6
145.02965	34.4
146.03362	0.7
147.03027	5.6
149.06104	1.1
160.01695	1.8
161.02379	0.7
163.04054	1.8
165.12836	8.0
166.22911	0.6
173.00952	8.0
175.04021	2.5
183.13889	6.2
187.04044	0.6
191.01985	10.9
193.05067	9.5
205.05020	0.9
208.09561	0.5
209.11897	0.9
222.90065	0.5
223.06181	2.0
227.12894	8.8
227.40164	0.5
261.07703	1.5
295.15393	0.7
323.07864	2.7
357.15591	2.8
367.06830	2.7
401.14404	3.5
419.15692	7.0
553.22516	0.6
595.24249	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	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21111	0.6
55.01877	1.7
57.03448	11.0
59.01384	6.5
61.98839	1.0
70.76897	1.0
70.77258	0.7
71.01382	2.2
72.99306	0.5
75.00874	1.2
83.01399	2.7
84.02174	1.5
85.02958	100.0
86.03310	1.0
87.00898	1.3
101.02451	0.7
111.00901	5.7
120.21387	0.6
126.02274	0.6
127.09937	0.6
129.01956	15.3
134.03764	4.3
147.03004	6.3
149.06035	0.7
154.99835	0.6
160.01756	0.8
165.12868	7.9
173.00958	4.7
175.04086	1.1
183.13902	5.4
187.38628	0.5
191.01991	23.2
193.05081	5.0
209.03079	0.9
209.11867	1.2
227.12901	7.6
295.15414	1.1
301.30667	0.7
323.07831	1.7
354.92947	0.7
357.15585	3.2
367.06680	1.0
401.14801	3.0
419.15659	7.0
517.36945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03456	2.8
59.01385	45.6
59.09090	1.5
69.22685	7.6
69.23087	3.5
71.01386	18.7
73.02966	13.8
83.01393	5.2
85.02960	20.8
87.00893	2.1
89.02466	2.8
95.01405	2.3
99.00889	4.0
101.02450	25.8
113.02461	11.9
119.03473	1.5
135.04538	3.0
145.58594	1.6
147.37708	1.5
151.00423	2.4
161.04588	3.4
185.11874	1.7
187.58932	1.5
303.18225	5.0
329.16083	4.7
347.17136	62.5
389.18213	100.0
542.78326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.5
57.03456	15.5
57.43970	2.2
59.01387	29.1
61.78234	2.0
67.33003	2.3
69.82336	4.1
69.82697	4.9
71.01385	24.2
73.02957	10.2
83.01397	10.4
85.02957	100.0
85.03481	4.7
87.00897	3.2
98.22727	2.1
99.00892	3.3
101.02466	8.0
111.00890	9.8
113.02457	6.5
115.00404	4.6
121.02973	9.1
123.00964	2.3
125.02426	3.6
129.01959	21.9
135.04550	13.0
142.96700	2.1
147.03073	12.8
149.02408	5.5
151.00362	8.7
153.05606	7.2
156.30235	2.3
161.04530	3.9
173.00940	6.3
179.03503	3.0
185.11838	2.3
191.01961	15.0
197.04561	18.3
205.05098	2.4
223.06068	2.7
255.03137	4.6
284.03238	3.6
285.03775	5.4
286.03952	3.8
327.07196	2.9
347.17142	26.8
371.05759	2.5
389.18283	30.8
416.56302	2.3
435.22116	4.9
459.11185	3.5
479.21497	8.3
595.15784	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	595.2765
Annotation	7-Deacetyltaxuspine L
Peak:m/z	Relative Intensity
54.66277	0.2
54.83329	0.2
57.02089	0.3
57.03460	0.4
59.01383	100.0
60.01719	0.3
61.98859	0.2
63.44914	0.2
69.03449	0.2
71.01389	2.7
73.02962	1.5
83.01405	0.8
85.02955	3.1
87.00901	0.5
89.02459	0.5
90.86350	0.2
92.47402	0.2
95.01445	0.3
95.05069	0.4
97.02946	0.3
99.00903	0.3
99.04540	0.2
101.02451	1.8
113.02439	1.2
119.62596	0.2
129.01929	0.2
134.80855	0.2
141.09242	0.3
142.36302	0.2
143.03516	0.4
151.07677	1.0
161.04604	0.9
167.10706	0.3
183.13956	0.2
188.13087	0.2
191.02075	0.4
254.90355	0.2
263.67435	0.2
280.32391	0.2
331.19424	0.7
349.20486	0.3
456.17603	0.3
475.23657	0.6
493.24457	3.4
511.25937	0.7
517.24725	0.4
535.25555	1.4
553.26697	1.4
595.27997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24375	0.5
59.01384	100.0
61.98841	1.1
66.01411	0.7
69.21934	2.6
69.22361	1.3
71.01385	3.2
73.02947	5.2
85.02962	0.7
89.02475	0.9
96.13225	0.7
99.00902	1.2
101.02438	3.7
113.02486	1.5
119.03452	0.7
146.89590	0.6
158.40225	0.6
161.04590	1.0
269.04590	0.8
303.16324	1.1
303.19568	5.6
315.19818	2.5
331.19150	1.2
333.20740	24.5
334.21201	1.2
346.98782	0.6
454.22464	1.8
486.21100	0.8
495.26074	10.4
535.25818	5.0
572.96545	0.7
595.28180	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	595.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.1
56.22553	0.1
57.03439	0.2
59.01384	100.0
60.01721	0.5
60.84588	0.1
61.98815	0.2
69.03471	0.2
69.50679	0.4
71.01390	3.6
71.05032	0.1
72.99294	0.1
73.02953	7.5
75.00889	0.1
81.03479	0.1
81.05200	0.1
83.01395	1.8
85.02962	0.9
87.00916	0.1
89.02454	0.9
95.01436	0.1
97.02997	0.3
99.00918	0.2
101.02457	5.1
106.37368	0.1
113.02455	1.7
119.03526	0.5
121.29331	0.1
125.02496	0.3
131.03560	0.5
136.03973	0.1
139.04109	0.2
143.03564	0.5
149.04587	0.4
155.03580	0.2
161.02545	0.2
161.04570	1.2
203.05605	0.3
298.10266	0.1
301.14569	0.3
303.31525	0.1
305.18558	0.1
313.18277	0.2
331.19116	0.2
412.21115	0.1
448.15518	0.4
454.22095	1.3
457.22485	0.1
462.98206	0.1
463.20038	0.3
475.23477	0.9
486.21210	0.6
493.24649	0.6
496.23309	0.3
501.02768	0.1
505.21384	0.4
506.21973	0.5
513.66406	0.2
517.24866	0.4
523.21838	3.0
524.22308	0.2
535.25549	4.0
535.33032	0.3
536.25446	0.3
595.28357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
62.96412	0.8
68.00246	0.7
69.12728	5.2
78.95910	66.4
80.91701	4.1
96.96964	12.4
98.22038	3.0
128.52348	0.8
152.99599	97.9
171.00664	3.1
223.00140	9.7
241.01193	26.7
269.45749	0.7
279.23309	61.8
280.23679	2.8
315.04898	18.8
316.04959	0.9
333.05847	1.8
411.56995	0.8
415.22638	1.7
478.40320	1.0
575.26117	1.0
595.28912	100.0
596.29297	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	595.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30638	0.6
59.01370	1.0
61.37738	0.6
62.96377	1.0
69.36536	3.2
78.95912	66.9
96.96967	11.7
152.99600	57.8
171.00612	0.9
215.77097	0.7
222.60710	0.6
223.00111	1.5
227.51218	0.6
241.01208	30.0
259.02429	0.8
277.21866	1.3
279.23315	62.8
280.23679	2.0
315.04895	10.5
397.10281	0.7
415.22513	6.9
433.23151	0.8
445.23605	0.9
595.28925	100.0
596.29083	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	596.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37883	9.6
57.03445	13.4
59.01388	83.1
61.98840	44.2
66.62438	8.7
69.66698	39.7
70.89745	8.2
71.01388	34.5
73.02959	11.2
85.02961	100.0
96.96026	9.9
98.22009	14.3
101.02447	16.5
111.00924	9.8
113.02525	19.2
119.03457	10.9
129.01985	15.6
159.02956	9.2
161.04498	12.5
175.93950	7.8
181.81441	8.6
191.01926	13.9
193.05164	13.8
272.16739	9.4
303.55557	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	597.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68559	0.4
52.19242	0.4
55.73313	0.5
59.01387	3.0
60.99311	15.1
61.98837	0.5
64.06070	0.5
65.91341	0.5
71.01398	1.7
84.13152	0.5
85.02972	3.9
88.98814	100.0
89.02460	4.9
101.02450	1.7
108.02216	1.0
113.02495	0.7
115.14641	0.5
121.02919	0.5
121.50252	0.6
129.01944	1.2
132.68036	0.5
152.01161	1.8
189.86539	0.5
191.01915	0.7
205.91475	0.5
345.15567	2.1
493.22690	0.6
597.13800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03453	0.9
59.01387	15.5
61.98817	0.7
71.01389	7.4
71.40494	0.6
73.02956	2.8
80.44891	0.7
83.01402	1.8
85.02957	5.7
89.02461	2.3
91.07076	0.5
99.00887	1.2
101.02442	5.3
111.00884	0.7
113.02456	2.0
129.01958	0.9
161.02477	0.7
169.12367	1.2
187.13408	21.8
191.01944	0.8
286.04117	0.8
288.04901	0.8
331.17575	3.4
334.90472	0.7
349.18686	100.0
350.19046	5.0
367.79312	0.6
389.18140	0.8
391.19681	3.8
495.24652	0.9
597.16492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.2
69.84026	3.0
69.84375	1.2
71.01389	9.9
73.02959	2.3
83.01375	1.2
85.02975	5.0
87.00927	1.8
87.04520	1.7
89.02462	3.1
92.76625	1.0
99.00905	1.4
99.45097	1.0
101.02451	4.3
113.02473	4.0
125.02484	1.1
135.04536	1.6
141.12885	2.4
151.28795	1.1
161.02478	1.4
187.13414	25.0
201.15031	1.8
331.17618	12.9
333.29037	1.0
349.14395	2.2
349.18689	45.6
350.19073	2.8
391.19775	100.0
392.20120	3.9
406.51028	1.2
552.90436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32774	0.8
55.01878	1.2
57.03438	1.2
59.01383	100.0
61.98814	1.0
69.03465	2.2
71.01386	25.1
73.02953	63.1
75.00879	1.1
80.52055	0.8
83.00928	1.4
83.01399	14.9
83.92383	0.8
85.02944	6.0
89.02439	8.2
95.01400	1.4
97.02950	1.2
98.22699	1.7
99.00936	0.8
101.02451	44.0
113.02457	12.5
119.03500	3.7
125.02451	2.2
131.03493	3.1
141.09218	1.1
143.03477	3.8
149.04576	4.0
155.03465	1.2
161.04578	11.7
170.15106	0.8
179.05688	1.0
203.05681	1.6
218.83940	0.8
218.97345	0.8
256.60184	0.8
313.18317	1.5
331.19171	2.9
454.22037	6.4
475.23441	4.9
486.20773	1.8
493.24252	4.3
506.21860	1.8
535.25574	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	597.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.03436	3.6
58.28164	2.4
59.01086	5.3
59.01382	100.0
61.98817	6.5
68.99803	4.2
69.12976	11.9
69.13377	4.8
71.01392	33.9
71.89079	2.5
73.02937	14.2
83.01379	7.0
85.02952	38.2
87.04556	3.0
89.02441	8.6
95.01372	3.8
96.96033	13.5
99.00883	11.0
101.02452	29.4
111.00872	5.0
113.02444	13.0
113.17425	2.6
116.92893	3.0
119.03506	4.1
119.05013	3.1
122.03775	5.3
123.04492	5.6
129.01981	3.4
133.01430	2.7
133.02956	4.4
134.03711	2.7
146.03696	3.4
148.05275	2.7
149.02403	7.1
149.06000	3.3
150.03223	36.4
151.04007	19.3
158.33833	2.5
161.02431	10.0
161.04568	11.3
164.04843	5.0
165.05580	30.6
173.00929	2.4
179.03485	4.8
179.05652	3.8
179.07094	21.2
180.04268	3.1
181.05064	11.0
183.10181	4.8
191.01886	3.2
191.03586	3.4
193.05093	4.0
195.06581	14.7
244.03682	2.4
267.03030	3.3
281.04575	2.9
297.07596	3.6
339.08749	6.0
353.06635	5.7
355.08258	3.6
355.20325	2.5
368.08929	6.2
369.09851	6.8
370.10303	10.7
371.11215	10.2
383.11581	13.3
431.15353	5.2
467.26352	6.4
497.25961	39.3
519.16803	4.9
549.17401	6.9
553.26563	20.0
567.18689	3.5
597.19208	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	597.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37304	0.4
59.01383	2.6
61.98821	1.6
66.15391	0.5
69.09582	1.9
69.09989	0.9
69.51735	0.4
71.01386	0.9
81.03462	13.5
83.05031	42.1
85.02954	1.5
98.22637	0.8
100.07697	6.4
101.02501	0.5
107.98457	0.4
126.05613	1.4
199.13425	0.6
199.18190	7.9
224.17651	0.9
225.16107	9.6
243.17152	22.1
269.15045	1.3
279.00226	0.5
292.41864	0.5
309.21735	1.0
353.20819	5.9
354.20905	0.5
433.31775	0.6
451.32980	2.5
469.33990	15.7
470.34396	0.7
553.39996	0.5
579.37671	2.7
597.38708	100.0
598.39105	8.4
607.16107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.64674	0.6
65.99850	10.2
70.47390	0.8
71.01383	7.9
81.02229	1.8
81.15276	0.7
82.02989	23.5
83.01394	3.5
83.90082	0.6
94.02990	0.8
97.01664	1.0
106.02974	0.8
109.01716	3.3
115.00379	10.6
118.44975	0.5
120.08185	0.7
122.06149	7.7
133.01431	5.7
136.04031	3.5
152.03607	0.7
155.82857	0.5
161.35547	0.6
164.03549	2.0
164.16179	0.5
172.07710	1.3
174.09268	0.6
194.04584	10.3
198.09274	0.9
199.08783	2.2
224.07207	0.9
226.07361	0.7
227.08223	0.8
238.08720	1.4
239.09573	0.9
240.08812	2.7
241.06294	0.6
241.09850	5.4
245.19868	0.6
253.06271	0.7
254.10649	0.8
255.07828	1.3
255.11363	2.1
256.08514	1.1
256.12149	1.1
257.10596	0.9
266.08145	1.2
267.08911	2.6
268.08466	6.6
269.09222	1.9
270.10126	1.0
282.10141	4.4
283.10904	21.9
284.11676	26.7
285.08957	1.1
285.12122	1.4
309.08774	1.1
310.09741	4.9
315.13498	9.5
327.09845	7.7
328.10648	37.3
329.10995	1.7
359.12497	20.1
360.12927	0.7
389.15198	2.2
406.17737	5.0
424.43683	0.6
432.15726	1.4
450.16714	100.0
451.16953	5.9
464.18210	0.7
482.19403	10.9
483.19894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89217	2.5
58.02979	14.6
61.98845	5.4
71.40901	2.1
74.02469	25.5
82.02964	3.3
86.02492	14.7
87.05638	2.5
93.93382	2.3
97.04081	4.0
99.05638	24.4
99.06991	2.8
101.07240	4.0
102.05622	3.7
103.36368	3.1
109.04070	4.8
123.05697	5.3
127.05116	3.0
128.03551	70.6
128.43642	3.3
135.05672	9.7
137.07217	2.6
143.04626	90.8
146.04605	9.9
167.04623	3.1
167.08269	7.1
169.06210	2.4
175.52867	2.6
179.04674	20.4
210.08813	20.2
254.07803	53.6
272.08914	100.0
272.11871	5.4
325.18365	3.2
421.23926	2.8
466.07132	4.7
469.23676	4.6
580.27289	3.4
598.27985	28.9
599.27545	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	598.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43211	0.8
54.34412	0.9
58.02984	7.5
59.01399	2.5
61.98825	5.1
66.50408	0.8
71.12531	1.0
72.00932	1.2
74.02483	14.1
75.28175	0.9
80.88962	0.9
81.04579	1.1
82.02969	1.2
86.02489	6.3
86.06113	1.3
86.99119	1.2
87.05658	3.1
90.00195	1.4
97.04084	1.3
99.05656	12.8
101.07214	3.0
102.05624	2.3
109.04099	2.2
109.07716	1.6
111.05659	1.9
115.00384	1.0
115.92165	1.1
123.05663	1.0
124.04082	1.3
125.03575	1.4
127.05183	2.3
128.03560	39.8
135.04727	1.3
135.05624	4.6
141.06714	3.4
143.04639	53.3
145.06201	2.4
146.04604	4.8
153.06706	4.1
157.93811	0.8
160.00755	15.5
160.02063	1.1
166.09898	2.2
167.04662	2.6
167.08247	2.2
177.03429	5.7
179.04648	12.0
185.05734	1.8
197.05666	2.1
198.08946	0.9
203.11771	1.2
210.08846	12.0
242.07845	1.1
254.07816	19.3
272.08896	30.3
272.11877	1.7
288.06607	13.4
306.07675	100.0
307.08017	2.4
310.25952	1.0
332.05475	1.0
371.32779	1.0
598.28394	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	599.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
60.99316	16.1
61.98814	0.6
62.57777	0.5
65.55814	0.5
71.01385	1.4
73.02946	1.2
83.05024	1.0
85.02945	1.5
87.00922	0.7
88.98814	100.0
89.02425	2.4
92.97921	0.5
95.72533	0.4
101.02438	0.7
113.02448	0.8
126.90479	0.6
128.12309	0.4
145.28526	0.5
145.79178	0.4
172.05360	0.7
172.86273	0.5
187.07712	1.7
257.08218	1.9
275.09302	0.5
347.17169	2.4
466.50876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68996	0.4
52.64098	0.6
52.79800	0.5
59.01370	1.6
59.67081	0.6
69.90813	0.8
69.91174	1.5
71.01382	1.1
85.02953	7.3
87.00868	1.5
92.72664	0.5
93.03462	2.3
109.02943	0.6
111.04543	1.4
127.04028	1.6
133.02959	1.4
134.03764	0.9
135.03513	0.7
135.04532	11.1
161.02461	3.7
170.26205	0.7
173.04498	1.1
179.03522	15.5
191.05624	100.0
192.05934	1.7
250.75627	0.6
353.08771	10.8
487.14853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03448	2.4
59.01386	39.5
71.01391	26.2
73.02940	10.9
79.95744	4.7
81.03458	5.3
83.01399	4.4
85.02955	12.6
87.00885	7.0
89.02454	11.7
95.01383	2.4
95.05025	1.8
96.96020	100.0
98.03747	25.0
99.04542	11.2
101.02455	18.1
107.05032	5.0
111.48899	1.5
113.02476	8.5
114.93423	5.4
118.96589	1.6
119.03501	3.9
125.02440	1.5
131.03490	6.1
133.06589	5.5
135.08170	12.7
143.03511	1.7
149.99858	1.6
159.03029	2.2
161.04578	10.4
161.06090	16.8
176.57019	1.9
179.05600	4.4
187.11235	4.8
189.12900	10.6
200.08151	1.5
215.10800	6.7
221.06665	10.6
229.15204	1.9
231.10258	1.8
233.11842	87.8
234.12163	3.3
314.72372	1.6
331.91833	1.8
338.71573	1.9
377.15872	6.2
395.16986	9.0
419.16922	3.1
437.18161	23.3
498.58957	1.7
539.21057	9.2
557.22339	30.4
558.22394	2.5
599.23492	90.7
600.23932	3.1
607.09039	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	600.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02938	0.9
59.01312	2.4
61.04884	0.7
61.98769	1.0
69.16521	4.2
71.01309	2.0
73.03989	3.4
82.02975	3.5
84.00845	1.0
84.79626	0.6
85.02861	3.2
87.05544	3.3
96.08131	0.8
96.96019	8.8
97.01058	0.7
97.04002	0.9
98.02389	2.0
98.21868	1.1
101.02371	0.8
108.02045	0.9
110.02411	1.6
115.05127	5.4
125.05882	1.1
125.07123	1.2
126.06752	7.3
128.03555	75.8
128.04436	3.1
128.04897	2.2
129.03781	0.8
129.10240	3.1
130.08636	2.3
133.02878	1.5
135.04485	1.6
140.07188	3.8
142.04979	0.7
142.65800	0.6
144.07793	8.6
152.01077	1.4
153.10255	1.1
155.11795	1.8
160.06122	1.2
161.02487	3.7
165.10368	3.4
167.11816	0.9
168.07803	18.5
169.06079	0.9
169.09727	2.4
169.13423	1.0
179.03508	1.2
179.54668	0.7
180.10239	1.4
180.27345	0.7
181.09738	1.1
182.12984	7.8
183.11229	1.0
186.08859	16.5
195.09091	0.7
197.12845	2.0
197.16504	0.8
200.14113	4.2
239.15036	2.3
241.11844	1.5
250.69073	0.7
251.12540	0.7
252.20714	0.9
281.16068	2.9
299.17343	0.9
353.23499	0.8
457.26785	3.4
473.16693	1.0
484.27487	0.8
556.29907	100.0
557.30316	7.0
582.30981	1.4
600.22583	1.2
600.32587	27.0
601.32996	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	601.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85503	0.9
57.35700	0.9
59.01384	100.0
71.61833	0.8
89.30820	1.0
98.22724	1.6
101.69621	1.0
115.02527	8.3
117.00435	6.6
132.98189	1.3
132.99117	1.4
134.97011	1.1
150.59688	1.0
156.99699	1.4
157.03568	2.5
159.01509	71.5
160.01685	1.4
170.97821	1.2
172.97560	1.3
174.89246	1.0
174.99252	17.7
176.98122	31.2
177.98167	1.2
201.02567	23.2
215.52176	1.1
217.00328	43.5
259.01563	2.4
274.99432	3.5
290.97144	1.0
299.71463	1.0
301.02664	48.0
302.02829	2.3
303.02460	1.5
315.03647	1.3
317.00430	31.5
318.00409	1.5
332.98654	1.5
345.40543	1.0
359.01550	17.3
374.99405	3.0
417.00922	1.2
459.01529	8.9
541.00592	31.4
542.01105	2.9
549.31805	1.1
575.14838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.1
68.04136	0.6
70.41694	1.3
71.01392	5.5
72.99313	0.7
73.02954	2.9
74.99092	1.0
83.01396	1.0
85.02959	3.1
87.00892	1.6
89.02470	3.7
96.96015	4.5
98.22620	0.7
98.95608	2.3
99.00890	0.9
99.92593	16.4
100.92707	0.7
100.93371	12.9
100.94047	0.6
101.02448	4.2
101.92403	0.8
103.00392	0.6
113.02471	4.2
114.41550	0.6
115.91483	0.4
115.92085	20.4
116.92870	100.0
117.91855	0.6
117.92875	4.0
117.93639	0.8
118.92663	1.4
118.98079	2.6
119.03535	0.8
125.02429	0.8
126.94946	0.8
128.92882	0.7
131.03593	0.9
133.02963	3.4
135.04498	3.2
141.93629	1.3
142.94417	1.4
143.03499	0.9
145.22905	0.5
156.92380	1.0
158.93910	1.0
161.02475	11.6
161.04524	1.5
162.02628	0.6
179.03496	2.5
179.05687	0.9
184.91888	1.8
191.53799	0.6
196.48204	0.6
221.06741	0.8
274.77460	0.6
319.10040	1.4
353.23352	7.8
395.24448	0.9
397.22513	0.8
439.10934	1.2
439.23526	0.7
458.13153	0.8
479.13693	5.2
497.14859	1.3
507.10110	1.1
515.15936	3.9
521.14905	2.3
541.26563	0.7
557.17157	5.9
559.27826	1.0
570.69739	0.7
601.16296	14.2
601.25867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16770	1.5
53.91254	1.3
55.56380	1.3
59.01386	62.6
61.98845	2.8
66.55186	1.8
68.17863	1.6
69.65293	3.7
69.65635	3.2
71.01392	28.4
72.99317	4.1
73.02965	7.5
83.01396	3.8
85.02969	4.8
86.51338	1.5
87.00938	1.7
89.02453	5.5
96.96019	3.3
99.00886	1.7
101.02462	8.6
113.02470	5.1
115.00386	52.7
116.92849	2.1
119.03453	1.9
125.02534	1.9
133.01450	100.0
135.04532	5.9
160.82692	1.6
161.02554	2.9
161.04568	1.9
179.03554	2.8
193.93071	1.5
197.04634	3.4
211.13390	2.5
243.58955	1.5
353.54581	2.1
376.55396	1.6
441.25519	2.4
552.27216	1.8
556.62415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01384	4.0
59.15189	0.3
65.00322	0.6
67.01904	0.4
69.03478	0.3
69.45097	0.2
69.63856	0.3
69.64196	0.8
69.75363	0.2
71.01388	4.3
71.01769	0.2
72.99336	0.4
73.02952	0.7
76.32741	0.2
78.01122	0.8
80.25048	0.2
81.03461	0.9
83.01383	0.8
85.02953	2.2
85.76451	0.2
87.00896	0.2
89.00336	1.7
89.02455	1.3
91.01912	0.8
93.03472	0.6
95.01383	0.9
96.96011	0.3
97.02970	0.4
99.00889	0.6
101.02457	1.4
106.00576	1.9
109.02938	1.5
111.00879	0.8
113.02464	1.0
115.00372	0.5
121.02967	28.7
122.00083	1.5
122.03230	0.3
123.00894	4.4
124.01657	0.5
125.02472	0.4
125.99573	0.4
127.00392	0.9
131.03519	0.4
133.01443	0.9
136.98827	0.8
137.02455	10.1
137.99559	0.4
138.03261	3.7
139.00345	1.4
139.03996	0.8
141.01959	0.5
149.04659	0.2
153.01936	0.7
153.05589	27.6
153.99022	0.3
154.02821	0.4
154.05914	0.6
155.03534	2.5
166.99844	1.5
168.00652	0.6
171.10310	0.6
181.01431	2.4
182.02242	3.5
183.02928	1.4
196.03772	0.7
197.04567	100.0
198.04942	1.9
389.99341	0.3
485.15738	0.8
538.22662	0.3
586.23303	0.2
592.69824	0.3
601.25061	26.6
602.25507	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	601.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52985	0.2
57.03460	0.3
59.01385	2.3
61.36262	0.2
65.00351	0.4
69.26814	1.4
71.01380	3.5
71.75826	0.2
73.02961	1.3
78.01116	1.2
81.03484	0.4
83.01396	0.7
85.02946	2.2
87.00878	0.6
88.98816	0.8
89.00349	2.4
89.02467	0.6
91.01897	1.5
93.03432	0.4
95.01410	1.3
97.02932	0.4
99.00930	0.5
101.02455	1.5
106.00614	2.5
109.02954	0.4
111.00890	0.7
113.02487	1.2
116.10840	0.3
116.92873	1.0
121.02966	36.6
122.00079	0.7
122.03289	0.6
123.00888	2.4
125.02467	0.3
125.99649	0.3
127.00410	0.7
130.46358	0.2
135.04491	0.4
136.31764	0.3
136.98840	0.4
137.02458	4.6
138.03236	4.8
139.00421	0.7
139.04036	0.5
141.01974	0.5
153.05588	32.1
154.05933	0.4
155.03490	1.1
161.02486	0.6
161.04567	0.4
166.99902	0.5
179.65524	0.3
181.01437	1.4
182.02255	2.7
183.02950	0.4
197.04562	100.0
198.04930	1.8
289.16635	0.3
311.07904	0.3
601.25049	19.2
602.25604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92010	1.0
55.01894	1.5
56.23840	1.2
57.03450	1.4
59.01384	100.0
69.44685	1.8
69.45063	4.3
70.03125	0.9
71.01385	16.0
72.99351	1.7
73.02955	7.6
83.01389	3.9
85.02953	12.7
89.02444	2.1
95.01395	2.5
97.02973	1.1
98.22595	2.3
99.00892	2.4
101.02453	10.8
113.02451	8.5
125.09741	5.0
161.02419	1.4
161.04579	3.7
198.87494	1.2
273.18616	1.3
287.20105	2.2
300.81015	1.1
317.21387	2.3
335.22223	4.0
422.21774	1.3
434.65323	1.2
461.25430	3.7
479.26523	32.8
483.42856	1.3
497.27576	30.6
539.28668	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
57.76245	0.8
59.01387	23.8
61.98827	3.6
65.36442	0.8
65.57957	1.0
71.01395	4.6
71.38667	1.4
73.02950	1.9
82.95429	1.0
83.01363	0.9
85.02955	3.2
89.02429	1.3
95.04951	0.9
96.96008	6.9
99.00912	1.0
101.02435	2.3
113.02460	2.9
115.00394	1.1
116.92860	1.9
121.03027	0.9
128.03561	0.9
133.01459	1.4
133.02995	2.4
135.04539	3.3
161.02498	5.2
162.02739	1.3
179.03558	1.9
191.01785	1.1
193.05083	1.2
219.21350	0.9
253.18149	7.2
320.42816	0.9
323.22366	0.9
335.22287	3.6
353.23352	100.0
354.23810	5.0
367.24707	1.8
395.24451	6.2
446.68585	1.0
452.79062	0.9
554.70514	1.0
601.33893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10169	0.7
57.03446	3.1
59.01385	12.9
59.97682	0.8
61.98830	2.0
62.86863	0.8
69.30652	4.3
71.01385	4.8
73.02949	1.5
83.01359	1.0
85.02948	4.6
89.02449	2.7
90.44579	0.9
96.96030	2.0
101.02458	2.6
107.08093	0.8
108.02190	0.9
113.02461	2.4
115.00388	1.8
116.92870	3.8
119.05049	0.9
132.02153	1.2
133.01411	2.2
133.02950	4.9
134.03720	1.2
135.04553	5.7
151.69611	0.9
153.05739	1.0
161.02446	13.2
161.04575	1.5
170.61726	0.9
179.03473	4.6
211.06139	1.9
257.19089	1.5
287.20132	3.4
299.20166	4.6
305.21313	1.3
317.21271	7.5
321.29474	1.2
335.22220	6.9
353.23352	100.0
354.23737	4.1
395.24332	12.0
466.64777	1.1
600.72894	0.9
601.17523	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02416	0.4
55.02946	0.4
59.01383	1.6
61.98819	0.7
69.63539	1.0
69.63911	1.0
71.01394	0.5
77.03975	0.6
78.95881	0.5
96.96025	0.5
105.03484	0.8
132.02176	1.5
133.02971	32.9
134.03619	0.5
135.04538	6.8
152.99606	0.7
161.02460	100.0
162.02850	2.2
177.05544	1.1
179.03522	6.5
180.41473	0.6
203.03520	0.6
221.04611	1.3
251.05510	0.7
270.07864	0.5
277.21826	1.6
281.06760	1.7
323.07721	3.8
574.14758	0.5
601.30121	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	601.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12056	0.7
59.46252	0.6
64.89539	0.6
76.68523	0.5
96.96019	2.5
105.03491	1.0
116.92867	0.8
117.03469	0.7
132.02182	2.4
133.02969	33.9
134.03758	0.6
135.04530	12.4
152.99608	0.8
161.02461	100.0
162.02840	1.9
175.04001	0.6
177.05672	1.1
179.03510	16.7
203.03491	3.1
221.04504	1.5
245.04259	0.8
277.21729	1.4
601.30225	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	603.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09322	0.8
59.01379	7.7
65.98627	0.7
71.01385	11.5
85.02950	1.5
96.96043	1.2
111.00900	6.2
112.07832	0.9
115.00388	11.9
119.05042	52.0
133.01437	1.9
133.02966	21.8
133.61528	1.2
135.04533	20.6
149.06064	1.7
161.02463	81.4
162.02747	1.1
163.04025	28.2
164.04443	0.8
175.03955	1.0
177.05569	3.2
179.03526	17.5
203.03499	1.9
221.04578	3.8
269.69266	1.0
280.05850	1.2
323.07742	43.8
324.07645	1.5
443.13708	1.1
487.12494	100.0
488.12924	5.1
583.99493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.6
61.98833	0.6
69.03451	1.1
71.01385	7.6
72.99335	0.6
73.02950	1.9
78.95891	1.1
82.95400	0.7
83.01385	0.9
84.93884	1.7
85.02979	2.4
87.00914	0.5
89.02463	3.0
95.01376	0.9
96.96014	4.1
98.22615	1.6
98.95608	2.9
99.00864	0.7
99.92596	15.1
100.93369	12.1
101.02461	3.1
111.00890	0.6
113.02482	3.7
115.92087	18.5
116.92872	100.0
117.92865	2.4
117.93655	1.0
119.03513	1.3
126.94982	0.8
127.54472	0.5
129.25562	0.5
139.76802	0.6
140.92885	1.0
141.93645	1.0
142.94446	1.5
143.03506	0.9
152.99619	1.0
158.51093	0.6
158.93988	0.9
161.02496	1.4
161.04579	1.0
184.91858	2.2
241.01308	0.7
244.97548	0.6
253.05316	1.0
259.96411	0.8
273.77081	0.7
287.22302	1.8
310.22861	0.5
321.11664	1.6
389.80383	0.6
413.09302	0.7
481.15430	4.3
487.25204	0.9
499.16232	1.0
517.17474	3.5
523.16931	2.7
541.17767	1.0
543.28284	3.6
559.18372	5.5
560.18579	0.7
561.29187	4.1
603.17719	20.0
603.27997	2.8
604.17810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90081	0.4
59.01387	11.2
69.08812	2.9
71.01384	5.6
72.99333	0.5
73.02940	2.5
76.14749	0.4
83.01387	1.3
85.02967	3.7
87.00890	0.8
89.02441	2.0
89.03957	0.5
93.03450	0.5
96.96042	0.7
99.00882	0.6
99.92602	0.9
100.10368	0.4
100.93344	0.6
101.02455	3.5
113.02479	2.9
115.92088	0.7
116.92870	4.4
117.03477	25.2
119.03485	0.6
119.05036	10.4
127.04109	0.5
128.73459	0.5
133.02936	0.5
133.78740	0.4
135.04575	0.6
143.05043	1.9
145.02966	100.0
146.03305	1.4
161.02515	0.7
161.04543	2.2
161.06073	1.2
163.04013	6.1
172.32771	0.5
179.05609	0.6
187.04027	1.4
193.23833	0.5
205.05057	2.3
221.06683	0.9
269.10315	1.6
274.53555	0.5
370.26474	0.6
415.16321	2.3
457.16766	0.8
523.67834	0.5
543.27942	0.7
561.19617	1.9
561.28479	0.8
603.20703	9.0
603.28979	0.7
604.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80508	3.1
55.28942	3.3
56.78419	3.2
60.99308	4.4
62.09663	3.4
62.96424	4.3
63.03675	3.8
71.38210	3.9
78.95911	100.0
78.96346	6.9
88.98813	40.9
89.02451	54.3
96.96012	48.2
104.97489	7.2
106.91498	3.4
110.98538	24.9
116.92844	5.6
136.70337	3.9
137.00078	3.7
137.40767	3.7
144.35379	4.3
152.99617	4.1
163.08470	4.1
167.01189	39.7
178.94252	22.1
193.95370	3.6
208.95369	6.1
212.62540	3.4
264.98114	6.2
277.21753	10.3
282.99002	30.1
355.10696	3.6
397.14734	8.0
411.91046	4.0
431.20667	4.2
455.15033	6.0
543.20538	57.9
544.20795	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	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10382	6.1
72.99276	6.8
78.95923	55.9
88.98831	18.5
89.02451	57.8
96.96017	100.0
103.92043	8.3
108.08293	6.2
110.98552	13.8
134.02701	5.4
148.91083	9.7
167.01152	18.6
178.94327	20.0
184.29459	6.1
277.21832	9.7
282.99063	13.2
543.20618	27.4
603.19360	16.7
604.19604	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	604.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98835	100.0
71.01382	0.5
71.39976	0.3
85.02978	0.6
106.01807	0.3
111.00912	0.4
115.00401	0.5
133.01445	0.7
134.03596	0.3
191.01912	0.2
192.77852	0.2
197.04541	0.4
204.04683	0.3
322.83447	0.3
345.74612	0.3
541.15405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43747	0.4
59.01382	32.3
61.98811	0.5
70.31232	0.8
70.40292	0.4
78.95906	8.3
81.02659	0.4
93.91478	0.4
96.96033	0.5
110.98529	0.7
152.11166	0.5
152.99596	3.3
167.01146	1.3
172.75471	0.5
180.04350	0.8
206.11917	0.5
236.07108	0.6
254.08005	1.9
293.24881	100.0
294.25134	4.2
305.24857	0.5
333.27209	0.5
530.32495	19.0
531.32922	1.2
544.20807	2.1
584.14014	0.5
604.36273	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	604.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	57.8
61.98840	0.6
67.28283	0.5
69.07529	1.7
69.07950	1.8
73.58978	0.5
78.95909	23.1
96.96016	1.8
96.96964	0.7
104.72210	0.5
107.98184	0.5
125.84776	0.5
127.61998	0.5
131.61046	0.6
133.36415	0.6
152.99602	8.3
167.01196	1.2
178.94321	0.8
180.04321	1.5
194.05931	1.3
236.06975	7.4
254.08035	2.0
282.99030	0.8
293.24887	100.0
294.25186	4.7
447.25244	0.9
530.32556	53.9
531.32599	3.1
544.21027	1.8
604.35962	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03455	11.2
59.01385	10.8
61.98819	1.2
68.77579	0.8
71.01395	5.6
71.39328	0.9
72.99305	2.0
75.00870	1.5
83.01384	2.9
84.02173	1.8
85.02959	100.0
86.03267	1.2
89.02451	1.2
89.26988	0.8
90.48744	0.8
96.96021	30.0
99.00899	1.0
101.02447	1.5
102.68790	1.0
103.00381	0.9
103.94569	0.9
111.00894	4.3
113.02405	1.1
114.93392	1.8
123.47282	1.1
126.05550	0.9
129.01953	9.4
129.04974	1.0
135.04489	1.0
135.98367	1.7
140.98488	0.9
141.46960	0.9
147.03003	13.6
161.02483	1.4
176.97215	1.1
191.00258	1.7
191.01985	35.8
241.08685	1.8
279.06577	1.2
282.16718	0.9
318.54898	0.9
353.10254	2.3
519.11603	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	605.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13815	4.7
54.36640	4.8
54.96157	5.9
57.03419	6.3
59.01385	41.6
61.11499	5.3
71.01396	30.9
71.40466	8.7
73.02955	14.5
80.58508	6.0
85.02959	16.4
89.02437	6.7
101.02452	12.8
113.02464	9.9
115.00380	12.1
121.02950	18.8
129.04257	8.1
133.01424	6.9
133.02950	12.8
134.03722	6.1
135.04546	17.4
136.01685	64.8
147.03009	7.0
151.04025	100.0
155.10808	6.7
161.02420	14.0
179.03493	15.7
196.75829	6.5
203.39786	6.4
249.21510	6.8
299.12497	6.7
338.08597	6.2
357.13486	81.7
358.13712	11.1
359.05676	5.6
366.35275	5.6
489.27069	25.0
561.41345	6.8
574.38562	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	605.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03457	0.4
58.19828	0.3
59.01385	12.4
69.26114	1.5
71.01393	6.3
73.02958	2.4
83.01403	0.9
85.02959	3.2
87.00941	0.3
88.98872	0.3
89.02449	2.1
89.03983	0.3
91.05540	0.5
93.03442	0.3
94.31722	0.2
95.01434	0.4
97.02981	0.2
99.00896	1.0
101.02439	4.2
106.04248	0.4
107.05038	2.6
113.02462	2.8
115.00396	1.6
117.03461	1.5
123.46825	0.2
129.01930	0.4
132.02213	0.9
133.02974	17.0
134.03769	7.1
135.04543	100.0
136.04866	1.8
143.03499	0.5
148.49754	0.3
159.03024	0.6
161.02464	51.1
161.04369	2.4
162.02803	1.0
171.10313	0.5
175.03917	0.5
176.50961	0.2
179.03516	77.1
180.03844	1.6
191.02034	0.3
198.66913	0.2
202.13980	0.3
211.13397	0.4
229.14394	0.4
269.10388	2.2
291.19672	1.3
309.20776	0.7
318.53690	0.3
327.21710	0.4
383.13379	0.3
401.14413	1.2
416.77579	0.3
443.15753	2.7
489.27097	15.2
490.27371	0.6
545.29584	1.2
563.17804	1.6
563.30743	0.9
593.21808	0.3
605.18793	33.6
606.19220	1.9
614.33899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2412
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.90294	0.5
56.11140	0.4
70.90692	0.5
116.13444	0.4
148.42166	0.5
160.32404	0.5
161.25513	0.4
195.48981	0.5
224.01268	0.5
254.02776	0.6
428.16370	0.7
430.18011	0.8
457.20416	1.7
459.18439	2.1
471.18365	2.1
473.19699	3.6
474.20563	0.6
485.19113	2.4
486.20804	3.5
487.21240	0.8
496.19110	0.7
499.17749	2.1
501.23920	2.4
511.21442	2.5
513.19324	2.6
514.20074	6.4
518.19653	1.1
529.22485	100.0
530.22913	7.1
532.21222	2.0
533.21924	1.7
552.80902	0.6
561.25061	1.1
573.21521	1.4
605.23956	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	605.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91991	0.8
110.59644	0.6
141.73967	0.6
142.94254	0.7
177.76627	0.8
248.40703	0.6
416.15930	1.1
429.17209	1.2
430.17932	1.5
457.20432	2.2
459.17828	3.2
461.23688	0.8
471.18167	2.2
473.19711	5.0
475.21347	1.0
485.19214	3.8
486.20850	4.0
487.21341	1.4
496.19266	1.2
499.17770	2.0
501.23853	3.6
511.21078	3.1
513.19434	2.3
514.20038	9.0
518.19446	1.0
528.21429	1.0
529.22504	100.0
530.22797	7.8
532.21094	1.3
533.21832	1.9
545.21307	0.8
573.21881	0.9
605.24542	3.0
615.39435	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	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	89.8
61.98837	100.0
66.71867	3.8
68.17242	3.5
71.01391	31.3
73.02968	12.8
75.00845	4.0
83.01379	5.9
85.02956	12.6
89.02460	11.2
93.09527	5.4
96.96037	10.0
98.21897	10.3
99.00881	11.8
101.02441	14.6
107.05050	7.1
113.02456	16.0
115.00423	22.7
123.08192	7.4
133.01454	54.0
147.81572	4.0
152.91171	4.5
161.02460	4.6
161.04568	6.7
162.47560	4.6
163.11334	7.1
189.12839	14.0
191.22675	4.3
207.13898	12.5
210.17332	4.3
237.07733	5.8
250.22198	6.2
295.28693	4.1
399.12646	5.5
519.24292	25.3
561.25665	85.5
562.25964	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2605
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
55.01875	1.1
59.01381	27.6
61.98830	2.4
67.01903	12.8
68.59609	1.2
69.03438	2.0
69.54125	5.4
71.01388	11.2
73.02953	24.9
79.01911	2.1
81.03463	13.7
83.01394	6.8
85.02954	2.8
89.02449	2.7
91.01900	9.5
95.01385	11.6
96.96008	1.3
97.02937	2.1
101.02455	15.0
107.01395	23.0
108.02190	11.8
109.02985	3.4
111.00906	8.9
113.02451	4.7
119.03485	1.7
122.03769	3.1
123.00889	8.4
123.04536	36.4
125.02439	13.1
138.03233	2.3
151.00349	3.7
152.01175	14.1
161.02463	1.6
161.04575	2.5
166.02716	24.2
167.03508	100.0
168.03831	2.0
335.64420	1.6
339.19467	1.4
361.34363	1.3
378.66049	1.4
383.18713	17.1
383.23346	2.7
527.44861	1.4
531.24500	1.5
545.23615	3.1
563.24994	4.5
605.26093	71.9
606.26483	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	605.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00594	0.5
59.01384	26.9
59.20349	0.4
61.98832	0.4
68.25476	0.4
71.01387	19.5
72.99305	1.0
73.02931	0.8
85.02949	3.3
89.02445	8.9
95.01365	0.9
97.06660	0.4
99.00842	0.4
101.02436	6.2
105.93492	0.4
113.01016	0.4
113.02459	3.8
115.00375	8.7
119.03501	3.0
125.98457	0.4
133.01436	1.4
133.02948	1.3
134.07408	0.4
135.04547	2.8
136.87486	0.5
161.02457	2.6
163.11351	0.8
165.12865	1.6
171.10284	1.1
179.03516	2.0
179.05630	0.5
179.14337	0.5
181.12395	0.5
183.13924	0.7
193.16022	0.4
209.11774	0.6
211.13454	1.0
223.13374	0.5
227.12984	0.5
229.14420	0.7
247.20694	2.0
273.18655	0.4
283.77127	0.4
291.19687	10.9
296.44415	0.5
309.20743	5.2
327.21701	2.2
434.37186	0.5
440.04578	0.4
489.27078	100.0
490.27496	5.6
563.30255	0.6
605.28229	0.7
613.63489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97173	2.1
62.11390	2.1
65.38548	1.9
68.23918	2.0
70.32286	5.2
78.95908	100.0
96.96011	7.7
96.96962	6.0
98.95605	4.2
99.92584	12.3
100.93358	11.1
115.92095	25.2
116.92879	24.2
121.32874	2.1
123.92479	2.4
135.68129	2.3
150.98038	3.6
152.99603	33.1
163.89743	4.7
164.90562	7.2
168.12827	2.3
171.00690	3.8
172.95506	7.5
178.88443	8.5
179.89243	26.5
180.90009	25.4
181.90747	7.8
196.89528	39.9
205.90813	8.2
219.92325	2.3
235.91873	8.9
236.92639	26.7
241.01559	3.2
245.04301	4.2
252.92206	2.6
270.01666	3.3
270.93234	2.6
279.23340	11.2
299.02130	3.8
333.08649	2.7
481.25876	2.7
498.15268	3.2
499.15842	8.5
516.15973	7.5
559.17535	3.3
571.18097	12.4
589.19135	4.3
607.19922	77.9
608.20435	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	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01387	10.3
65.47824	0.4
69.15857	2.3
69.36868	0.3
71.01388	8.2
73.02954	0.9
83.01395	0.6
85.02958	6.4
86.29509	0.4
87.00900	0.5
89.02456	4.2
95.01389	2.0
96.96027	0.7
97.02950	0.4
98.22643	0.6
101.02443	2.8
105.03494	0.4
113.02465	12.3
116.92885	1.1
117.03487	3.6
119.03535	1.3
119.05023	2.8
123.04538	0.4
131.03487	0.9
132.02194	1.6
133.02972	30.6
134.03661	0.7
135.04550	6.0
137.06108	0.5
143.57318	0.4
145.02982	6.2
161.02461	100.0
162.02789	2.2
168.86417	0.4
179.03453	2.0
191.05635	0.7
299.11780	0.5
327.06970	0.5
445.17197	2.2
461.16357	1.1
475.18085	0.9
556.89459	0.4
563.23199	2.3
607.20477	42.2
608.20825	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25547	0.5
57.03447	1.2
59.01386	11.8
69.05424	3.2
69.05834	1.4
71.01385	10.5
73.02949	1.1
83.01391	1.2
85.02960	14.5
89.02450	5.5
92.63602	0.6
95.01396	2.9
101.02458	3.3
105.97878	0.6
113.02460	19.9
117.03478	29.7
119.03545	1.0
119.05048	8.3
119.59243	0.6
121.02960	0.7
123.04559	4.1
129.01935	0.6
131.03545	0.6
132.02193	1.5
133.02968	15.5
134.03720	1.8
135.04535	12.4
143.03508	0.7
145.02966	100.0
146.03305	2.4
153.05577	5.2
160.01602	1.1
161.02458	57.5
161.04614	1.9
163.04033	9.9
175.03992	1.4
179.03500	2.1
191.01981	2.1
193.05042	1.3
207.06612	0.7
214.02702	1.0
241.01447	5.0
242.02219	4.4
243.03033	1.1
245.00916	1.2
255.03093	1.0
269.00970	0.7
269.05853	0.7
270.01797	4.9
271.02441	4.5
292.14429	0.7
297.10056	0.8
298.01126	1.8
299.02011	8.5
300.02734	0.7
301.03592	0.8
315.10974	1.6
360.91388	0.7
461.16696	25.2
462.16989	1.0
475.18350	0.8
512.58459	0.7
607.13330	4.1
607.20636	50.6
608.21222	4.3
633.33936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03449	3.8
58.00571	1.1
59.01383	55.0
69.13038	1.8
69.13442	4.2
71.01389	47.6
73.02950	4.2
83.01392	1.5
84.02170	0.7
85.02958	36.5
87.00880	5.6
89.02454	29.4
90.10358	0.7
90.59318	0.8
95.01398	14.7
101.02448	12.2
113.02461	79.2
119.03508	5.2
125.02450	0.8
127.04044	1.9
131.03505	10.4
134.03758	8.8
143.03497	2.0
147.43777	0.9
148.38269	0.9
149.04587	4.6
149.06020	5.0
152.04832	1.2
161.04573	8.7
167.07101	2.0
168.30997	0.9
191.05620	6.1
233.06648	1.8
329.12378	3.4
342.09460	1.0
399.44672	0.8
475.18213	21.3
607.22461	100.0
608.22803	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	607.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86610	5.0
70.57066	5.2
109.80438	5.6
116.05869	5.2
151.26631	4.7
174.85181	5.8
211.17747	5.0
383.79053	6.4
383.84549	5.3
385.61322	5.9
431.22467	9.5
432.23187	7.6
460.23340	10.6
472.22614	24.6
474.20386	13.8
475.20712	18.1
475.25720	15.7
487.25021	72.4
502.20175	16.7
513.23138	11.0
519.27460	16.8
531.24109	100.0
532.24091	8.2
534.22827	10.0
548.24127	16.0
563.26440	19.5
607.25488	57.6
608.25153	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	607.257
Annotation	Unknow
Peak:m/z	Relative Intensity
75.63976	8.7
142.52049	8.3
153.47615	9.2
178.92482	7.3
236.69513	8.1
431.22562	19.8
432.23050	10.9
443.22443	8.8
447.25714	11.3
460.22519	28.8
471.21771	17.8
472.22736	37.0
474.20657	13.4
475.25125	28.4
487.25150	100.0
502.20175	27.2
519.28168	9.5
531.24097	92.2
532.24384	17.5
548.23712	10.3
563.25964	17.7
607.25824	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	607.2744
Annotation	Sylviside
Peak:m/z	Relative Intensity
59.01388	14.4
61.98828	9.0
69.24668	14.3
71.01386	17.9
73.02959	3.2
84.76138	2.7
85.02946	11.3
86.00117	3.2
87.00879	6.5
89.02481	5.5
98.21816	3.1
101.02472	9.6
103.79898	2.8
113.02464	19.3
115.00366	2.6
143.03493	2.8
151.25081	3.0
189.57788	2.8
209.11841	12.5
241.01466	6.3
242.02168	4.0
269.10040	3.2
271.02237	4.0
299.02008	11.7
301.22131	3.3
319.22849	37.4
337.23868	11.9
341.20984	44.3
397.13409	5.6
452.52521	3.0
481.21164	5.0
481.28091	100.0
482.28851	4.1
503.26447	35.0
521.27344	65.3
522.27911	3.8
563.28479	67.1
564.29126	6.1
607.12769	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	607.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72721	1.6
56.50160	1.6
57.90574	1.7
61.35404	1.6
72.35480	1.7
92.97494	100.0
93.07620	1.6
110.29737	1.5
132.39102	1.5
172.41689	1.7
318.17703	1.7
348.79645	1.9
401.93051	1.9
449.15277	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	608.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59088	2.8
59.01380	3.7
61.98838	9.1
71.01360	2.6
81.03426	2.7
85.02921	3.3
96.04559	14.4
96.96035	5.2
98.02505	3.5
98.06141	5.9
113.02446	2.7
126.05626	85.5
133.03043	2.9
135.04567	3.1
147.04468	2.9
161.02458	3.4
170.04625	5.5
179.03549	3.9
204.03363	100.0
241.08719	5.8
254.21359	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	609.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46263	0.8
56.21377	0.8
59.01386	7.9
63.02387	1.2
65.00308	0.9
70.61850	1.1
70.62177	1.7
71.01379	7.4
72.99292	1.2
73.02924	1.9
79.92514	0.7
83.01395	1.3
85.02969	4.1
85.38179	0.9
86.75210	0.8
87.64936	0.9
89.02433	3.6
96.96024	1.6
101.02437	2.7
105.54053	0.9
107.01377	3.9
108.02159	4.7
109.02930	2.3
113.02450	2.6
115.00374	3.8
119.03544	2.0
120.47026	0.8
121.02958	7.4
129.01936	1.1
133.01445	11.8
133.02882	1.3
135.00897	1.2
135.04524	3.3
148.01666	2.0
151.00386	13.7
152.01216	4.7
152.02238	0.8
153.05565	4.0
161.02371	1.8
163.00366	3.1
163.03926	1.0
169.01465	1.2
171.04558	1.3
178.99879	8.0
179.03520	3.3
179.05455	0.9
191.01921	1.2
197.04556	18.0
199.03926	1.4
209.03033	1.1
211.03941	2.0
215.03531	1.8
226.02585	1.2
227.03447	3.5
243.02962	11.6
245.04559	1.6
254.02246	2.4
255.02985	32.5
271.02496	67.3
272.02960	3.1
283.02246	1.7
285.03928	1.5
299.01956	2.2
300.02759	100.0
301.03510	47.7
301.06131	0.7
302.03973	1.1
313.05783	1.4
447.11252	3.7
460.06830	0.8
496.26059	0.9
498.22400	0.8
549.25409	2.3
609.14587	84.6
610.14880	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07957	0.4
65.00327	1.3
69.10549	1.6
69.10955	1.5
83.01411	1.2
107.01402	2.9
108.02186	2.2
109.02962	1.5
121.02987	1.3
123.42713	0.5
133.30139	0.5
135.00897	1.2
136.01665	0.5
148.01730	1.7
149.02509	0.5
151.00375	10.9
163.00369	2.4
164.01170	1.1
178.99850	5.6
198.03189	0.8
199.03989	1.3
203.03514	0.5
211.03990	1.3
215.03545	0.6
216.04369	0.5
226.02725	1.8
227.03540	3.7
243.02975	13.7
244.03708	0.9
245.04530	0.9
254.02151	2.8
255.02988	33.6
256.03452	0.9
271.02493	71.1
272.03052	3.8
273.03909	0.8
283.02579	0.9
299.02008	1.6
300.02762	100.0
301.03525	27.3
343.04510	0.9
444.66656	0.5
609.14618	95.6
610.14935	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04905	0.8
64.29823	0.8
69.60262	2.3
69.60580	1.0
71.64265	0.9
72.07921	0.8
108.02164	1.9
148.01724	1.7
151.00349	4.0
157.31487	0.8
178.99873	2.7
215.03526	1.0
226.02556	1.1
227.03491	2.1
243.03001	9.9
254.02216	2.3
255.03020	22.7
256.03317	1.0
271.02509	53.6
272.03073	3.0
299.01917	2.5
300.02768	100.0
301.03476	8.0
411.37360	1.0
577.16687	1.1
609.14630	64.4
610.14709	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52010	1.0
54.11655	0.9
63.02401	1.5
65.00323	2.4
69.13662	6.4
84.62740	0.9
93.03471	1.0
98.22750	2.0
102.09501	0.9
107.01389	2.8
108.02172	2.8
108.87437	0.9
109.02998	2.0
121.02966	1.8
122.21477	1.0
123.00921	1.0
142.32266	0.9
148.01619	1.2
151.00388	13.7
163.00400	2.7
163.03955	1.1
164.01216	1.1
178.99844	9.3
199.03917	1.2
226.02603	2.1
227.03526	4.5
243.02986	10.6
245.04607	1.7
254.02206	3.3
255.02992	30.3
271.02490	60.5
272.03168	2.8
300.02768	100.0
301.03525	31.4
316.95380	1.0
457.51276	1.1
503.66025	1.2
609.14618	47.8
610.15167	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	609.1466
Annotation	Cyanin
Peak:m/z	Relative Intensity
57.03453	0.9
59.01382	6.0
67.82773	0.7
70.88309	0.8
71.01392	4.0
73.02964	0.8
77.37415	0.8
85.02953	5.7
89.02452	2.1
93.03526	0.9
101.02465	2.3
107.01383	1.4
108.02167	2.0
109.03030	1.1
113.02469	6.0
117.03476	0.8
119.03490	1.1
121.02984	1.6
123.89162	0.8
131.03535	1.0
134.03767	0.9
135.04492	1.5
151.00414	3.9
152.01164	4.6
153.05580	1.1
159.04706	1.1
161.02457	1.0
161.04480	1.3
169.66423	0.8
171.04585	1.5
179.05579	0.8
183.04509	2.8
185.06035	0.8
191.01991	1.5
197.04579	2.1
209.03059	2.3
211.04056	2.6
227.03461	7.2
229.04898	0.9
255.03008	48.9
256.03549	2.2
257.04507	1.0
269.04575	1.4
271.02625	1.1
283.02505	100.0
284.03247	13.7
285.04068	74.8
286.04462	2.7
297.03986	2.0
299.05365	1.0
300.02713	2.3
327.05048	3.8
432.50333	0.8
446.08536	19.1
447.09338	57.1
448.09671	3.1
489.10614	4.3
608.22723	1.6
609.14587	41.8
609.23029	3.4
610.15033	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	609.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25869	4.1
59.01384	51.2
61.98827	14.7
66.35107	4.8
71.01393	17.0
71.05958	7.1
71.71626	4.1
72.85828	4.4
73.02956	17.1
79.89724	4.6
83.01394	6.0
85.02952	9.3
89.02461	8.5
94.30182	4.8
95.32268	4.7
101.02473	19.8
113.02480	9.8
135.04521	5.8
151.00394	16.2
161.02483	5.5
183.10126	6.1
193.75905	4.9
208.60898	4.5
211.13405	21.5
214.62790	4.8
243.02998	12.7
255.02975	28.5
271.02493	58.3
299.02094	5.2
300.02747	96.6
301.03564	47.5
315.15945	11.8
397.13611	11.7
467.99152	4.6
489.21310	7.7
549.23389	10.5
609.14600	100.0
609.23645	4.9
610.15417	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	609.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99424	0.4
55.01870	1.1
57.03451	0.8
59.01382	29.8
61.98831	0.7
66.33737	0.4
68.99804	0.5
69.03455	1.1
69.43089	1.6
71.01386	17.7
72.99315	0.7
73.02952	3.3
75.00869	0.5
81.03442	0.7
83.01395	2.8
83.05020	0.5
84.89244	0.4
85.02954	6.6
87.00879	4.5
89.02453	17.3
95.01392	1.3
97.02946	3.5
98.22670	0.8
99.00896	0.9
99.04528	0.5
101.02444	13.7
111.00922	0.5
111.04524	0.9
113.02458	7.8
115.00379	0.5
119.03498	5.4
121.02913	0.4
125.02447	5.8
129.01947	0.6
131.03500	0.9
133.05063	0.5
135.04543	1.1
139.04089	0.6
141.01968	0.7
143.03502	3.6
151.00302	0.5
155.10825	0.5
161.02428	1.5
161.04553	4.3
165.05592	0.6
167.14447	0.9
179.03481	1.0
179.05632	3.2
183.13918	8.4
184.14226	0.5
193.12335	1.8
207.43364	0.4
211.13405	100.0
212.13753	2.2
217.07144	0.5
221.06635	1.6
235.08240	7.0
245.06630	0.6
253.09235	2.9
255.03041	2.3
271.02481	4.1
274.13507	0.5
277.09082	0.7
287.07770	2.3
300.02814	5.5
301.03574	2.5
305.08856	2.3
323.09995	0.9
379.12201	0.8
397.13525	53.8
398.13919	1.7
415.14600	26.5
416.15094	0.7
505.34155	0.7
609.14606	6.7
609.27118	2.3
610.15918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52959	2.1
61.79723	2.4
70.22388	2.3
78.95909	62.5
87.21710	3.0
96.96967	11.3
97.67677	2.6
120.75173	2.2
122.89203	3.0
128.39983	2.6
152.99599	52.5
172.09000	2.7
241.01213	23.5
248.48177	2.5
279.23392	4.8
293.24887	50.3
311.23373	3.3
315.04886	5.3
326.10892	3.2
329.99045	2.9
429.24109	5.2
556.46106	2.6
573.11932	4.7
574.10907	2.9
602.65887	2.6
609.30450	100.0
610.30914	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	609.3045
Annotation	BQ 123
Peak:m/z	Relative Intensity
78.95913	86.1
96.96968	17.0
96.97549	2.2
101.10651	1.4
119.18983	1.6
138.15434	1.3
152.99606	77.7
177.36029	1.4
237.84746	1.5
241.01215	34.5
279.23450	1.9
293.24908	85.5
294.25195	3.4
315.04968	11.9
429.24060	6.7
573.11987	1.7
574.11316	1.9
609.30505	100.0
610.31116	7.7
610.83258	1.6
621.26379	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	609.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21911	1.2
59.01370	5.0
62.69254	1.3
69.08378	4.7
69.08784	2.8
93.81827	1.5
95.05026	3.4
121.10251	30.4
135.07196	1.2
171.10289	78.4
183.13841	2.0
185.11852	2.1
207.10007	4.2
209.07944	1.3
211.13326	1.6
231.21103	5.2
246.12372	1.7
271.02454	3.5
275.20178	97.4
276.20505	3.1
278.11411	10.6
293.21249	100.0
294.21506	2.8
297.18350	2.9
300.02847	4.3
315.19434	65.2
359.18369	4.1
437.59702	1.4
474.91895	1.5
609.14606	4.0
609.41327	85.6
610.41705	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	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80279	2.5
57.03624	2.9
60.12142	2.5
63.81119	2.7
69.61497	8.1
71.01344	2.7
78.95876	2.5
95.05025	33.4
97.78214	2.6
108.55888	2.7
119.21871	2.5
141.73804	2.5
170.32822	2.7
195.13930	8.8
209.73570	2.4
216.04170	2.5
223.13350	7.3
246.12369	26.8
271.02463	6.5
275.20166	6.5
278.11353	54.3
293.21249	100.0
294.21558	4.0
300.02789	9.2
301.03448	3.9
315.19296	23.9
377.06262	2.5
408.36609	2.6
440.45996	2.6
460.98459	3.1
463.45505	3.1
549.04199	2.7
609.14490	11.3
609.41028	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	610.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	19.9
61.22818	10.5
67.05427	8.6
71.01391	11.0
82.02984	51.1
98.02490	27.6
100.04054	15.8
119.05019	30.7
161.52914	10.5
181.88422	8.7
220.09842	12.5
252.74345	10.3
264.08786	100.0
286.07043	20.7
323.13547	26.3
478.89743	12.1
610.20996	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	611.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73402	1.5
57.03457	4.0
58.19323	1.4
59.01384	6.8
65.39906	1.5
70.95618	2.1
71.01382	3.6
73.02971	4.0
81.03450	2.2
85.02964	6.6
87.00894	2.3
89.02457	1.9
101.02456	5.1
103.04081	1.4
105.03503	1.7
109.02977	2.5
115.04003	1.5
117.53712	1.3
121.02959	5.5
125.02456	14.8
137.02486	10.3
138.03299	1.8
143.03584	2.3
143.04892	2.0
147.02988	1.8
149.02454	31.2
150.02802	1.8
161.02454	4.4
163.06163	5.4
164.01184	9.0
165.01988	3.8
166.02719	14.2
167.03493	10.0
171.04446	2.0
174.03188	2.1
175.04041	13.2
176.01172	3.2
177.01939	2.6
179.03511	2.0
191.02017	2.0
192.00706	5.5
193.01396	2.1
197.06009	1.8
198.03267	3.2
199.04016	13.4
201.01968	4.1
209.18990	1.5
213.05632	3.6
217.05048	15.9
223.04068	2.5
241.05078	33.2
243.02998	5.7
257.04559	1.8
272.20483	1.5
285.04074	100.0
286.04437	5.2
399.33969	1.7
459.23572	1.5
475.14612	30.5
485.12979	4.6
501.12537	7.7
535.63092	1.6
611.16138	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	611.2143
Annotation	C11830
Peak:m/z	Relative Intensity
59.01381	13.4
67.97519	1.3
69.80228	1.4
71.01374	2.6
73.02967	8.9
80.48559	1.5
83.01421	1.6
85.02918	1.2
91.77801	1.3
101.02443	3.7
107.05033	7.3
109.11616	1.5
116.25246	1.3
125.02453	13.3
164.67746	1.3
173.06097	56.0
209.09790	1.8
238.06467	1.9
239.87608	1.6
245.09827	2.7
248.08386	2.2
253.08676	6.9
261.09262	5.2
263.10788	20.5
266.09467	1.6
277.08636	2.4
278.09546	1.8
279.10275	28.6
281.11859	100.0
282.12186	3.8
329.08704	3.1
345.14874	2.1
361.14420	1.8
371.12860	13.8
389.13947	14.6
393.04410	1.6
523.23657	1.4
533.14429	1.4
545.02228	1.6
597.15723	1.7
611.21405	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	611.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.5
57.03452	15.2
59.01377	28.5
69.24770	18.2
71.01369	13.7
73.02937	5.8
83.01389	6.5
83.04435	2.8
85.02959	100.0
85.03477	5.2
85.28481	2.9
89.02448	10.3
91.26262	3.6
101.02460	9.9
106.65228	2.9
111.00890	4.7
113.02464	19.2
119.03492	3.3
121.06651	5.0
123.04556	4.8
129.01903	8.2
133.02962	5.0
134.02252	2.8
135.04544	7.7
147.03032	15.0
149.02470	3.3
154.47647	3.4
161.02477	5.7
161.04538	10.3
167.07147	20.5
179.03342	5.1
179.05655	3.2
189.47862	3.3
191.01981	38.9
241.05124	4.0
246.08830	3.4
308.57019	3.4
309.00391	3.1
314.51120	3.2
491.17770	9.3
509.18970	4.0
545.99237	3.6
551.19989	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	611.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61826	7.8
58.51561	8.8
59.01380	100.0
66.08906	7.1
69.13618	44.8
71.01398	48.0
73.02945	53.1
83.01415	13.9
85.02966	30.1
89.02428	8.6
95.06168	8.1
99.00903	10.6
101.02451	39.0
113.02454	12.4
115.00449	8.1
125.82466	7.6
130.54279	7.1
133.01384	9.1
135.04539	42.2
150.06866	13.5
161.02498	19.1
161.04607	9.0
179.03481	13.8
181.17993	8.9
231.10258	45.3
249.11293	10.4
468.19897	26.9
611.14587	12.6
612.24268	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	611.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98067	1.6
56.77631	1.6
57.01782	2.1
59.01380	12.4
61.98836	2.4
64.65328	1.5
69.65318	2.8
69.65709	3.6
120.08230	1.8
121.05340	4.1
122.06135	10.6
134.06140	5.2
134.91841	1.7
139.32417	1.6
160.06497	8.5
175.71162	1.9
211.08850	2.2
213.10361	36.7
214.10780	2.0
215.11870	15.2
223.08737	2.6
225.10269	2.2
226.11380	2.1
239.11880	21.1
241.13478	19.9
267.11346	4.2
283.10928	2.9
285.12469	100.0
286.12906	4.5
293.12997	3.2
296.11887	2.6
325.11899	6.5
333.00760	1.9
449.16269	6.6
463.17508	8.6
464.18359	4.8
465.19040	2.8
467.24460	3.4
477.19650	3.1
478.19952	6.0
479.20837	12.7
491.24597	8.0
493.22537	30.7
494.23083	6.8
535.23560	66.3
536.23920	6.7
538.22198	16.7
579.22644	19.5
580.22443	1.9
611.24890	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	611.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03451	3.3
59.01384	100.0
71.01387	44.6
72.88342	1.6
72.99290	2.2
83.01405	2.0
85.02953	14.6
89.02455	39.4
95.01400	3.3
95.89986	1.6
99.04526	18.2
101.02452	19.7
113.02440	13.0
119.03501	14.3
135.04536	3.1
165.01953	2.3
179.03534	2.7
179.05576	2.8
180.04236	2.4
189.12857	5.9
191.01952	1.9
195.06624	2.6
207.13919	37.7
208.03842	1.8
223.06117	3.4
225.07681	2.6
251.12915	88.7
252.13164	3.0
269.13879	2.7
279.15717	1.6
283.91104	2.1
431.19247	98.2
432.19495	4.5
449.20386	4.1
611.25598	72.9
612.25897	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	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60115	1.8
52.74273	1.8
62.14874	2.1
66.30508	1.8
70.47036	4.4
71.01393	2.7
75.15282	1.9
78.95906	38.4
79.95742	3.3
82.84850	1.9
94.97168	2.5
96.96011	100.0
96.96967	63.4
96.97615	3.0
160.97705	2.2
189.00735	3.6
253.09326	4.5
267.69260	2.1
277.21692	17.1
291.03922	4.4
327.74142	2.0
351.05884	10.1
353.27234	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	612.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51760	16.4
72.04552	12.2
73.85692	4.0
82.02988	37.4
98.02484	14.4
98.21947	8.3
100.04045	24.4
101.11723	4.0
119.05032	22.1
167.45206	3.6
192.10385	4.9
218.08293	8.0
220.09819	6.8
237.82764	4.1
264.08774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06511	1.3
55.01873	4.7
57.03455	7.2
58.17119	1.4
58.48968	1.5
59.01389	19.1
61.98830	6.0
62.42281	1.5
69.10211	9.6
71.01384	7.5
72.99326	1.6
73.02958	4.4
83.01387	16.1
85.02962	41.5
89.02475	1.5
91.01902	9.3
93.03471	1.4
96.95994	2.0
99.00854	1.6
101.02477	5.2
108.02180	16.8
111.00888	27.4
113.02468	3.8
115.05476	1.7
116.92876	4.6
120.99725	1.5
121.02973	38.1
123.04537	32.7
124.01659	2.1
126.05617	3.8
129.01981	7.8
131.05009	5.8
133.02997	2.8
133.06606	19.0
143.05060	3.5
151.04053	1.8
152.01160	27.7
159.04576	3.2
161.02440	1.9
161.04684	1.4
161.06084	26.1
166.02795	2.0
167.03511	100.0
173.00891	2.0
177.55534	1.3
179.03539	2.0
179.05573	1.6
189.05589	23.5
192.04330	2.9
204.03325	4.1
207.06627	6.8
231.58565	1.3
233.04503	6.9
235.06168	16.0
236.47209	1.7
259.02466	1.6
277.03674	3.0
323.04172	1.6
337.59592	1.3
453.21204	4.1
469.29352	2.2
531.29254	1.9
551.17511	1.9
553.28015	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	613.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55230	5.6
59.01391	41.2
61.98819	10.5
62.36042	6.4
64.32954	5.1
71.01395	29.7
71.37022	4.9
72.99274	9.3
73.02958	16.8
74.99104	15.5
75.00867	6.6
83.01400	17.6
85.02938	37.9
87.00868	11.5
88.98801	17.9
89.00681	8.6
89.02425	9.4
96.95992	9.6
99.00854	7.2
99.92594	7.6
101.02448	21.6
107.05003	15.1
111.00874	15.2
113.02459	17.6
116.92825	32.7
117.03455	25.4
117.28129	5.5
118.98101	60.4
121.02969	16.9
121.97919	5.3
123.04528	21.0
126.05609	10.9
129.01949	24.2
133.02953	6.2
133.06618	10.8
135.04558	6.1
135.08177	8.0
140.40303	5.7
145.02980	100.0
152.01184	11.5
160.01712	6.2
161.02357	5.9
161.04575	13.2
161.06073	17.6
163.03981	10.8
164.91200	5.6
167.03532	51.1
167.49251	7.9
179.03462	11.5
187.07593	11.7
189.05685	7.0
193.33569	5.4
204.03342	17.0
225.12692	6.4
227.10760	7.6
229.12451	9.5
235.06053	14.7
245.11836	13.0
259.13528	8.3
269.11743	7.6
287.13062	6.7
365.10660	78.3
483.68515	7.3
531.29565	20.1
553.27838	17.3
569.22424	18.9
571.23596	8.2
613.12073	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	613.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08209	0.4
54.42484	0.4
59.01386	11.9
71.01388	3.0
71.03020	0.8
72.97546	2.2
73.02954	8.8
73.98317	4.6
83.01398	2.1
85.02962	1.4
89.02457	0.9
98.59420	0.5
101.02457	4.8
113.02458	1.3
119.03468	0.5
129.03819	14.0
131.03554	0.7
134.55228	0.4
149.06209	0.5
154.23621	0.4
161.04498	1.0
173.06018	0.7
183.08119	1.6
193.05080	0.8
197.06087	0.9
211.07677	4.1
213.03804	0.8
214.04547	1.0
223.11435	0.5
229.03256	0.6
230.04062	3.3
236.08449	0.5
241.03285	0.8
242.03999	0.6
244.40512	0.5
251.10823	6.0
252.11417	0.9
257.10077	3.6
267.08469	5.6
268.08972	0.5
269.06393	0.8
285.09573	100.0
286.09906	4.8
294.72107	0.4
303.10632	27.0
304.10986	1.2
462.84128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.0
59.11949	0.8
59.55435	0.8
61.98813	1.1
69.23950	4.8
70.42931	0.9
71.01384	6.2
72.97520	0.8
73.02940	4.8
73.98312	2.7
74.99100	9.8
83.01384	1.8
85.02954	3.8
89.02422	2.3
95.01363	0.9
96.95971	1.0
99.92572	1.4
101.02450	6.3
113.02438	4.6
113.61555	0.8
116.92875	1.9
118.98096	100.0
125.02451	1.2
126.05592	2.3
129.03822	6.5
133.02950	2.4
133.06601	1.0
135.04527	1.1
135.08136	1.0
135.87337	0.8
161.02441	5.3
161.04541	3.1
161.05904	1.2
195.97575	1.0
204.03339	3.7
205.03542	1.4
211.07707	2.4
214.04564	1.1
227.10764	2.1
229.03159	1.1
230.04164	2.0
245.11777	2.1
247.13280	1.5
251.10750	2.1
257.10083	1.2
267.08411	3.8
285.09564	52.9
286.09784	2.1
303.10645	14.6
319.09647	1.1
390.57330	1.0
527.16302	1.9
571.23981	2.9
577.19250	2.5
609.46564	1.0
613.16217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01395	2.4
61.98838	0.9
69.03464	2.0
69.13569	1.0
69.13978	1.9
71.01397	2.1
72.99328	1.4
73.02938	1.0
76.16196	0.5
78.07674	0.5
81.03455	0.6
85.02960	3.5
87.00861	0.5
89.02461	0.8
95.01361	0.6
101.02466	1.6
108.02184	46.5
109.02251	0.5
109.02977	10.2
113.02472	1.4
113.03191	0.5
133.01439	0.7
133.02983	0.7
134.03729	0.7
135.04541	1.2
136.32953	0.5
139.11308	1.5
151.04085	0.8
152.01167	91.1
153.01944	5.3
161.02411	0.6
161.04555	1.0
163.04042	3.5
177.01898	1.1
179.03516	1.4
183.10269	1.6
191.02026	0.8
193.05191	0.6
207.02998	0.7
209.02977	0.6
211.61444	0.5
215.79684	0.5
297.06174	0.6
315.07144	0.9
429.10382	13.7
447.11459	6.9
497.20691	1.9
541.36047	0.6
613.21411	100.0
614.21967	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	2.9
69.62405	9.3
82.02992	3.6
98.21970	4.4
101.07214	4.1
109.04096	3.7
119.05054	5.4
127.05138	37.5
128.03543	5.1
197.93350	2.9
221.13014	3.4
242.33847	3.0
247.10966	10.3
264.08508	3.2
265.09302	4.9
265.11942	100.0
266.12357	4.8
353.87482	2.9
362.24649	3.0
409.99197	2.8
546.94849	2.8
635.61615	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	613.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61779	0.4
57.03434	0.7
59.01384	100.0
60.01706	0.9
61.98832	1.0
69.69704	1.8
71.01383	8.7
73.02960	1.5
85.02953	4.0
88.14423	0.4
89.02454	4.9
89.02946	0.5
95.01443	1.1
98.21954	0.6
99.00895	0.5
101.02447	6.5
113.02456	3.7
119.03506	3.3
133.01462	0.4
139.03952	0.4
143.03548	0.8
159.02994	0.8
161.02513	0.7
161.04575	4.7
161.05914	0.5
179.05699	1.3
304.16788	0.4
318.53055	0.5
331.19205	0.9
373.20950	0.4
412.21173	1.7
464.20764	0.9
475.23642	1.3
481.20645	2.3
493.24466	10.1
493.31140	0.7
494.25220	0.8
535.26007	1.1
553.27008	0.7
575.53333	0.5
613.28198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71023	1.1
60.70352	1.1
63.32706	1.0
78.87837	1.0
95.05081	1.4
98.21848	3.2
99.08206	1.2
152.15555	1.2
171.08774	2.2
171.10272	38.5
178.62958	1.3
191.06911	2.1
195.13774	1.1
249.22165	2.3
273.22000	1.3
277.21735	42.8
278.22195	2.5
295.22806	100.0
296.23209	2.7
297.66989	1.1
299.19742	1.3
317.20996	42.7
318.20953	1.1
337.08133	1.3
355.67255	1.1
361.20087	3.9
391.38596	1.1
397.85339	1.2
400.15793	1.2
423.41870	1.3
446.19861	1.3
481.28668	1.1
613.44482	67.7
614.44733	3.4
640.49365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81314	0.8
54.64947	0.7
55.01879	3.9
57.09119	0.7
59.01384	14.3
67.01879	0.7
67.35945	0.6
69.03460	100.0
71.01387	7.5
72.59982	0.7
72.99308	2.7
73.02954	1.6
79.01894	4.3
85.02960	3.2
88.98808	2.4
89.02457	8.8
95.01418	2.5
96.96015	1.3
97.02958	21.2
99.00888	27.7
101.02449	5.8
102.01531	0.8
112.38498	0.7
113.02457	4.0
118.05839	0.6
119.03529	4.7
123.00892	0.7
131.03534	0.8
133.01366	1.2
133.02962	0.9
134.03746	2.7
135.04562	0.9
137.02501	0.9
141.01952	11.1
143.03519	1.2
152.01230	0.9
161.04562	1.0
161.13423	2.5
175.03911	1.2
178.02765	1.0
178.10645	0.7
179.05647	3.8
185.00931	81.1
186.01384	0.9
190.40433	0.7
191.02003	0.9
193.05099	2.5
194.86951	0.7
201.01749	2.5
203.02016	5.5
205.12393	5.7
222.00702	0.7
249.11363	7.7
385.18549	1.3
410.95889	0.7
419.22812	0.8
429.17673	16.6
509.09140	0.7
553.25110	0.8
615.19275	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	615.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04666	0.5
55.01880	0.7
56.26428	0.5
57.03445	1.1
59.01385	31.7
61.98819	2.1
69.03452	0.9
71.01389	29.4
72.99319	0.7
73.02958	6.4
83.01381	2.1
85.02961	7.7
87.00901	1.3
89.02447	2.5
95.01360	1.3
98.03792	0.8
99.00883	1.5
99.04511	1.5
101.02448	8.0
109.02903	0.7
113.02453	6.0
114.99577	0.8
115.00379	15.2
116.62843	0.5
119.03542	0.7
129.01901	0.7
133.01451	1.3
135.04497	0.6
143.03535	0.7
159.03009	0.6
161.02469	1.5
161.04546	1.6
171.10294	1.3
225.11282	1.0
229.37912	0.6
235.17026	10.1
251.16537	2.3
257.12808	0.8
301.11960	1.0
395.20703	2.9
413.21848	11.8
414.22131	1.0
435.16055	0.6
453.16565	1.0
455.22882	100.0
456.23145	4.7
499.32990	0.9
546.77631	0.6
615.27234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12106	0.7
55.01882	2.6
57.03460	1.9
58.00618	0.9
59.01384	100.0
60.01711	1.1
61.98854	0.8
63.83048	0.7
69.03477	1.9
71.01388	44.9
72.99326	2.3
73.02953	26.7
75.00900	0.7
80.96535	0.8
81.03461	1.1
83.01396	11.3
85.02956	18.9
86.00111	1.2
87.00888	7.8
89.02451	26.2
93.84533	0.7
95.01404	4.5
97.02959	3.0
99.00895	4.3
101.02451	46.6
101.06142	1.3
107.05032	7.8
111.00895	1.3
113.02462	31.4
119.03519	12.4
125.02471	4.0
127.04043	0.9
131.03502	9.5
135.04570	0.9
135.08194	3.2
135.55736	0.8
141.09233	10.2
141.10201	1.2
143.03508	7.7
147.08136	0.8
149.04588	6.2
159.03053	1.9
160.01694	1.4
161.02538	1.5
161.04572	24.5
161.05862	1.5
175.03978	0.9
179.05627	15.3
193.05113	1.2
203.05640	13.9
203.07434	1.0
219.68129	0.8
221.04507	1.3
221.06671	22.7
231.13918	25.7
232.14381	0.9
245.06773	2.7
249.14983	4.9
263.07721	20.1
263.10251	1.3
275.53046	0.7
305.08801	4.9
318.73322	0.8
320.24918	0.9
323.10480	0.7
345.17062	1.1
411.20224	1.8
413.05389	0.8
431.15933	1.4
488.88434	0.8
555.24799	2.4
573.25574	20.3
573.33801	1.1
574.26343	1.5
615.26746	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	615.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03453	9.0
59.01384	100.0
65.44505	0.4
68.99832	0.6
69.03468	2.2
70.69365	0.7
71.01388	34.5
72.99310	0.8
73.02954	17.8
75.00855	1.0
78.21963	0.4
81.03474	1.3
83.01398	8.5
85.02959	14.8
87.00883	3.8
89.02457	8.9
92.34318	0.4
93.03430	0.6
93.19096	0.5
95.01393	2.2
96.96029	0.8
97.02972	3.0
98.28268	0.4
99.00880	5.2
101.02451	26.1
102.98641	0.9
109.02947	0.9
109.06589	1.0
111.00893	0.6
111.04512	0.5
113.02458	20.5
115.04036	0.6
119.03506	3.7
120.99670	1.7
121.06641	0.6
124.09687	0.5
125.02472	7.1
127.04023	0.7
129.02000	0.5
131.02676	0.5
131.03488	2.6
134.03770	0.5
135.04543	1.3
137.02379	0.5
137.09731	2.2
139.07631	0.5
143.03506	7.2
149.04579	1.1
151.04057	0.9
151.11336	0.6
155.03537	0.9
159.03027	1.9
160.01782	0.6
161.02463	1.1
161.04582	14.0
167.03630	0.5
175.04037	0.8
179.03688	0.8
179.05647	10.6
185.04671	0.5
189.12971	0.6
192.11594	4.5
194.11122	0.5
203.05641	11.7
203.07451	0.7
206.13115	0.7
207.13922	28.1
208.14328	0.7
221.02884	1.2
221.06662	6.2
245.06827	1.8
249.14903	2.9
263.07706	5.8
275.86835	0.4
287.07532	0.6
305.08936	1.9
340.00986	0.5
411.20444	1.6
453.21481	0.9
513.23486	6.2
531.24469	13.0
532.25110	0.7
555.24261	2.1
573.25555	25.9
574.25934	2.1
615.26520	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	616.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93682	1.3
57.03459	1.5
59.01385	2.2
61.98835	100.0
65.07384	1.0
65.47991	1.1
68.99815	1.3
71.01395	7.5
73.02942	1.6
75.00901	1.2
83.01391	3.8
85.02956	3.7
95.09403	1.1
98.22684	2.7
99.00890	10.5
111.00880	5.3
112.98812	18.2
115.00410	1.8
129.01952	3.5
135.22798	1.2
141.48991	1.2
145.01460	2.1
167.04276	1.2
171.10298	2.1
173.00932	7.9
175.02524	1.5
205.03551	1.5
272.86096	1.4
314.35837	1.3
329.17545	3.4
399.33072	1.2
453.20129	1.3
489.68747	1.3
568.23138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37654	0.3
52.72495	0.3
54.44301	0.3
59.01383	2.0
61.01820	0.3
61.98835	100.0
69.19023	1.7
71.01405	0.7
85.02971	0.5
94.53575	0.3
126.39453	0.4
157.79663	0.3
161.02451	0.3
171.10266	0.5
183.56299	0.3
200.95927	0.3
214.97360	0.3
386.20370	0.3
434.32120	0.5
482.32455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03453	1.2
59.01389	12.9
61.98835	6.2
65.00314	0.9
69.05709	3.5
69.06120	2.2
71.01389	9.4
73.02941	2.7
83.01389	2.4
84.24883	0.9
85.02958	8.4
85.73402	0.9
87.00892	0.9
89.02468	3.4
90.52917	0.9
95.01390	7.3
97.02961	1.2
99.00906	1.3
101.02455	3.7
109.02968	2.1
111.00922	1.8
113.02467	3.0
115.00362	2.7
115.40257	0.9
117.20641	0.8
121.02164	1.2
121.02975	15.0
122.00148	1.4
123.00911	7.2
125.02466	1.5
127.00428	1.4
133.01443	6.0
133.02956	1.9
135.04500	2.3
136.98842	1.9
137.02449	9.2
138.03226	3.2
139.00397	6.8
153.05588	14.7
155.03558	1.9
161.02435	2.5
166.02762	1.1
166.99860	2.8
168.00583	1.2
171.10217	1.7
179.03525	1.8
181.01450	3.4
182.02208	3.4
183.03032	1.5
191.02010	1.1
197.04579	25.8
209.04576	2.0
209.11768	1.3
255.15811	1.0
277.10797	2.0
292.13165	3.7
293.10364	1.8
294.11041	2.4
295.11942	1.3
307.15396	1.6
308.12625	3.3
309.13428	6.4
309.20676	1.5
314.48611	1.0
323.14853	2.1
369.23184	1.8
471.19067	2.4
485.20264	6.7
559.34570	0.9
573.29346	1.2
602.21820	1.3
617.24579	100.0
618.24750	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	617.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31275	2.1
56.79909	2.0
59.01083	4.9
59.01383	100.0
61.21889	2.0
61.98822	5.2
69.03457	3.7
69.74314	7.9
71.01386	30.3
73.02947	50.0
81.85542	2.2
83.01407	13.4
85.02955	9.3
86.14483	2.0
89.02450	9.6
95.01393	3.7
96.25233	2.1
97.02928	2.9
101.02448	39.2
111.00898	3.9
113.02448	13.5
119.03512	4.9
125.02425	4.7
131.03473	3.7
139.00380	3.2
143.03543	5.3
161.04607	11.0
161.61496	1.9
166.00121	2.3
175.08998	1.9
179.03381	2.4
252.16522	2.3
270.15854	2.1
275.18796	2.5
344.48022	2.4
378.16602	2.6
393.19244	17.6
411.20255	9.8
447.23880	3.3
454.22104	33.6
465.24539	3.3
486.21161	37.9
495.26456	2.9
497.19998	3.4
507.25961	14.1
527.21881	3.8
555.28210	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	617.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60852	10.1
58.98156	9.4
59.01383	100.0
69.03779	26.6
69.04183	52.4
78.95914	45.1
85.00433	17.1
96.96027	68.9
101.14215	10.9
103.01492	75.4
112.62609	10.6
114.26900	11.5
126.22324	12.1
152.99597	19.5
164.76682	12.4
167.65257	11.7
170.88344	12.1
197.28192	12.9
208.01250	10.9
232.88409	17.8
248.55234	11.1
248.57898	10.9
262.56030	12.4
277.21570	14.6
550.81586	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	617.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98831	24.5
67.13100	9.5
71.39625	13.7
78.95924	53.4
84.26521	9.9
85.00433	25.3
96.96018	50.9
100.27033	9.9
103.01515	68.5
107.56493	11.8
120.87888	9.5
128.34344	10.2
151.39923	10.9
151.65672	10.4
152.99594	45.7
174.57343	11.7
192.55725	11.4
225.36198	11.3
227.03192	13.4
267.02469	26.1
314.02402	11.3
365.27005	20.8
444.27634	11.8
494.91861	12.7
505.25537	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74709	0.2
56.10244	0.2
59.01391	1.8
71.01386	1.6
71.39354	0.3
78.95912	4.6
79.95741	3.3
89.02441	0.8
93.25119	0.2
96.96021	100.0
96.96912	5.4
106.14859	0.2
113.02442	0.3
114.79098	0.3
118.96620	1.5
123.00903	0.3
132.98225	0.9
135.04492	0.5
138.03229	0.3
146.08305	0.3
156.98232	0.9
160.97697	0.7
166.99863	0.7
179.03519	0.6
179.05656	0.6
182.02223	3.2
186.99193	0.5
197.04572	5.5
217.00336	0.7
229.00323	1.2
241.00458	0.3
269.03705	0.4
269.06650	5.4
277.12238	0.3
299.74054	0.3
337.02399	0.6
348.05286	0.3
367.03522	0.5
385.04535	0.4
427.05640	2.0
439.05444	1.6
521.15466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05900	2.5
59.01385	22.1
68.53522	2.4
69.25935	5.2
69.26331	10.8
71.01389	10.5
71.32986	3.0
71.90255	2.5
73.02937	7.5
74.39314	2.9
78.49992	2.5
83.01421	3.0
85.02947	11.6
87.00874	4.2
89.02425	4.3
90.65259	2.7
96.95978	4.0
98.21931	6.6
101.02433	6.1
104.75912	2.6
113.02486	5.5
133.02954	3.8
135.04549	16.9
161.02464	6.6
176.81631	2.8
179.03473	25.9
193.05147	3.6
213.15077	2.8
251.07144	13.8
260.02652	3.3
261.05457	3.3
263.07159	9.1
264.07703	3.1
278.05801	3.0
279.06558	25.7
294.08817	5.1
295.06113	11.5
307.06076	4.0
310.08417	3.6
322.08322	4.1
323.05740	20.6
338.08008	23.2
353.10342	100.0
354.10489	4.8
459.22556	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	619.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
69.48704	1.2
71.01396	0.8
73.02919	0.3
78.56702	0.3
85.02966	1.6
91.05553	0.4
95.01403	0.8
107.05045	1.1
109.03011	0.5
113.02435	2.0
117.03436	0.5
124.97679	0.3
131.03534	0.6
133.02969	4.5
134.03766	3.4
135.04538	61.8
135.13219	0.4
136.04863	1.6
161.02458	9.8
179.03513	100.0
180.03894	2.3
191.05653	0.8
233.04556	0.5
245.04642	0.7
296.30045	0.3
391.91544	0.3
619.18707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
59.01387	6.9
67.01907	0.7
68.54164	0.4
69.03461	100.0
69.37733	2.2
70.03802	1.2
71.01384	4.2
72.99313	1.8
73.02956	2.0
74.45594	0.4
79.01894	4.3
82.29308	0.4
83.01425	0.7
85.02943	3.5
89.02463	1.1
93.03503	0.6
95.01396	1.6
96.95992	0.9
97.02960	19.3
99.00887	26.3
100.01151	0.5
101.02443	3.2
111.00952	0.4
113.02459	2.0
123.00887	0.6
129.18317	0.5
131.04697	0.5
133.02992	0.7
135.04527	4.7
141.01959	11.1
161.02402	1.6
161.04617	0.6
173.88197	0.5
179.03491	6.6
185.00926	82.6
186.01218	1.0
203.01979	1.1
329.16006	0.9
347.16946	2.3
389.18179	15.4
390.18219	0.7
533.18542	2.0
575.19824	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	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.05914	2.8
69.06313	6.0
86.72928	1.0
98.21883	2.7
161.33676	1.2
401.14133	1.5
415.15704	2.6
416.16467	11.1
430.18298	2.5
444.16193	1.3
459.18323	49.8
460.18781	4.0
473.19797	9.4
474.20508	3.5
501.19879	1.5
503.17371	1.7
517.18610	1.8
518.19647	37.1
519.20209	1.9
532.21265	7.4
533.21954	100.0
534.22552	7.6
587.23029	5.4
619.25653	73.2
620.25861	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	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03448	5.9
69.07426	16.4
71.01387	42.4
73.02942	14.7
75.00917	2.0
83.01384	4.2
85.02976	13.5
87.00867	3.4
89.02451	33.5
91.58209	2.0
95.01391	6.1
96.96017	8.2
97.02952	5.1
98.89906	2.5
98.95621	5.0
101.02437	26.5
113.02469	26.1
115.00404	2.8
119.03548	15.2
131.03513	4.5
135.04539	26.2
141.02013	4.9
143.03549	3.6
157.09615	2.2
161.02507	10.4
161.04564	12.2
161.05734	2.4
179.03493	23.0
179.05606	11.2
185.00978	5.3
257.03848	2.3
323.07706	9.5
361.91290	2.5
389.18011	4.2
503.11932	9.5
515.24860	13.7
533.26013	7.8
535.07678	2.4
575.19629	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	619.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23433	0.5
55.72050	0.5
59.01383	47.3
69.03466	0.9
70.04030	0.4
71.01385	22.0
72.01759	0.6
72.99319	3.2
73.02953	1.4
83.01383	0.9
85.02966	2.7
87.00892	1.1
87.04537	0.8
89.02454	4.3
95.01396	0.5
101.02467	1.9
113.02466	4.8
115.00381	42.5
119.03514	0.5
133.01440	100.0
134.01772	0.9
135.04562	2.1
157.01451	0.6
161.04584	2.0
175.93942	0.5
179.03445	2.8
227.31082	0.5
251.07306	0.5
268.69510	0.5
279.06754	1.3
292.43518	0.5
319.22034	0.6
322.08572	0.5
323.05530	0.6
338.07971	1.2
340.38803	0.5
351.16110	0.5
353.10355	4.4
399.23883	17.8
400.02753	0.6
400.24225	1.3
417.24850	4.2
459.26151	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	619.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30707	1.0
55.01862	1.1
57.03458	1.8
59.01385	100.0
71.01392	45.6
73.02953	31.5
83.01398	7.9
85.02960	11.2
87.00887	2.9
89.02451	45.4
95.01396	3.0
96.96017	1.5
97.02959	1.5
101.02452	31.8
110.63646	1.1
113.02460	18.7
118.28574	1.0
119.03510	17.1
119.30854	1.0
123.04501	1.7
125.02417	1.6
127.07659	1.7
131.03506	4.4
133.02963	1.7
135.04533	8.4
140.93562	1.1
143.03505	4.3
149.04555	4.3
153.05637	7.6
161.02434	3.3
161.04572	10.9
179.03523	10.3
179.05655	7.0
261.83469	1.1
278.30154	1.0
347.17017	3.2
425.21811	0.9
439.16058	4.0
619.14307	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	619.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	42.6
69.03458	1.5
69.07697	2.9
71.01389	24.8
72.99319	3.6
73.02943	3.3
78.16307	0.5
79.00821	0.4
83.01393	1.3
85.02946	2.8
87.00876	1.3
89.02464	4.3
98.21923	1.2
99.00909	0.8
101.02464	4.8
109.35888	0.5
111.00878	1.0
113.02477	3.0
115.00385	52.8
116.00747	0.6
119.03539	0.8
123.04641	0.5
125.02413	0.6
133.01445	100.0
134.01811	1.0
135.04535	3.5
143.03473	0.6
157.01445	1.1
161.02432	1.6
161.04575	1.6
175.35876	0.5
177.02240	0.6
179.03510	3.6
194.70155	0.4
205.69353	0.4
329.19711	0.6
399.23895	24.5
400.24353	1.1
417.24939	11.5
418.25711	0.6
439.18668	0.5
459.26025	4.1
474.09894	0.5
550.21509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69310	0.9
59.01385	100.0
59.64424	1.1
75.00863	1.2
101.12659	0.9
102.95679	1.9
103.00393	2.1
103.01505	81.6
119.72410	0.9
127.87301	0.9
270.07727	4.4
277.21774	2.0
365.76639	1.4
621.15338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49211	0.3
52.73616	0.4
54.55334	0.3
59.01384	2.8
71.01383	2.3
71.39125	0.4
78.95911	31.3
79.95730	2.5
89.02462	2.2
96.96027	100.0
96.96975	54.0
101.02416	0.6
113.02444	1.1
118.96671	1.3
119.03538	1.1
122.01264	0.4
132.98206	0.5
135.04475	0.4
144.11017	0.4
156.98099	0.5
156.99213	0.5
160.97791	0.5
163.04097	0.5
179.05579	1.5
181.05113	1.4
217.00383	1.2
218.99789	0.7
261.00845	2.3
279.01974	1.2
321.03030	0.7
381.05109	1.2
402.28525	0.4
441.07040	0.5
591.06348	0.4
621.14569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
55.57940	0.7
57.03453	14.2
59.01383	14.8
68.99822	0.9
71.01389	8.8
72.99307	2.1
73.02942	1.2
75.00871	4.2
83.01385	3.8
84.02177	2.1
85.02957	100.0
86.03306	1.1
87.00901	1.1
89.02442	4.4
98.22707	1.6
101.02448	3.4
101.86920	0.8
103.00404	1.2
111.00900	6.2
113.02470	1.6
115.00370	2.3
119.03478	1.7
122.97913	0.7
129.01952	11.5
133.01501	1.1
133.02980	2.2
135.04568	7.2
136.04890	1.6
137.05037	0.9
147.03009	14.4
161.02487	5.8
161.13383	1.6
162.02820	1.0
169.16869	0.7
173.00952	2.8
179.03514	5.3
179.05542	0.8
180.03914	1.0
181.04080	1.0
191.02000	60.7
192.02344	1.3
205.12338	3.4
209.03000	10.0
226.63051	0.8
249.11334	2.4
399.00073	0.9
429.17590	5.9
460.13187	0.8
461.13589	1.0
505.13608	1.2
505.26825	1.5
596.50787	0.9
603.19458	2.6
611.56616	0.8
621.20410	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	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03456	13.0
59.01382	14.1
69.40054	3.2
69.40441	1.9
71.01376	7.8
72.99306	1.8
73.02940	1.0
75.00871	3.7
75.68251	0.9
78.91879	1.2
83.01394	3.0
84.02169	1.9
84.56748	1.0
85.02959	100.0
87.00858	1.6
89.02442	4.0
96.96006	2.1
101.02460	2.9
103.00378	1.9
111.00870	5.7
113.02449	1.8
115.00365	2.4
119.03480	1.7
122.52656	0.9
129.01959	12.4
133.01421	1.7
135.04503	1.4
147.03024	18.5
161.02458	1.0
161.13330	1.0
173.00987	4.7
179.05627	1.7
187.11322	1.2
188.25298	1.0
191.01994	68.7
205.12408	2.6
206.64384	1.0
209.03008	2.6
249.11255	2.5
252.05910	1.0
262.21231	1.0
402.95737	1.0
429.17618	7.8
559.19482	1.4
603.19208	2.3
621.20331	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	621.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
55.09113	0.4
57.03181	0.7
57.03455	13.2
59.01379	9.2
60.32715	0.4
68.99800	0.5
70.73459	0.8
71.01389	5.0
72.99319	1.5
73.02931	0.4
75.00874	2.5
83.01385	2.2
84.02180	1.4
85.02958	100.0
86.03291	1.3
87.00874	0.7
89.02477	2.3
99.00903	0.5
101.02444	1.4
103.00379	2.0
111.00887	4.7
115.00381	1.1
121.59948	0.5
129.01958	8.4
133.01460	0.6
133.02960	0.5
142.66060	0.5
147.03008	15.4
161.02405	0.4
163.02512	0.5
165.04106	0.5
171.30373	0.5
173.00966	2.5
191.01993	57.0
192.02341	1.0
205.12346	0.7
209.03041	11.2
230.61867	0.4
306.40427	0.4
343.24292	0.5
429.17618	0.7
516.83624	0.6
525.42633	0.6
603.19141	0.8
621.20306	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	621.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59205	3.8
52.69175	4.6
70.09881	11.0
91.60569	4.4
92.27914	4.0
114.93505	4.4
116.92828	5.0
242.08267	4.4
242.87355	4.6
270.07800	15.1
435.59482	4.9
443.18521	6.4
445.20242	8.5
446.21555	6.2
457.19986	4.8
459.22089	12.3
461.23697	6.6
471.18347	10.2
473.23572	7.4
474.20923	22.8
475.21118	4.8
485.19531	13.9
486.20752	20.5
488.18362	6.4
489.23035	22.1
501.22980	100.0
502.23230	8.1
503.20529	6.0
516.18024	15.0
518.23065	12.9
527.20721	10.2
533.26245	25.8
544.21124	7.0
545.22052	60.6
548.20526	19.1
559.23273	17.0
562.22156	7.1
577.24463	20.9
621.23199	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17422	15.0
69.17815	29.1
78.95900	14.2
108.34834	7.2
109.02950	10.2
116.92865	84.1
152.99579	14.1
161.50804	6.5
161.95480	7.2
177.02010	9.5
194.04636	8.3
242.08247	13.6
245.04271	15.1
270.07669	31.8
350.77496	7.6
445.15784	8.5
458.20889	12.2
459.22070	13.6
474.20947	10.3
475.20618	8.6
481.25464	10.5
486.20782	26.3
488.18558	20.9
489.18958	77.4
501.22961	100.0
516.17969	11.0
518.22852	35.6
527.20856	7.4
533.25671	57.3
545.22040	65.9
548.20605	87.2
549.20905	10.1
552.97552	7.9
559.23785	20.4
561.20819	14.3
562.22217	21.1
577.24847	17.1
621.23419	83.8
622.23669	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	621.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26584	0.5
55.01884	1.3
57.03453	2.5
58.00615	0.9
59.01387	92.0
69.52333	1.4
69.52720	1.7
71.01391	39.8
71.05019	1.1
72.99320	1.3
73.02963	2.4
75.21017	0.6
83.01402	2.2
83.33496	0.6
85.02959	9.4
85.69402	0.6
87.00905	1.7
87.04504	0.7
89.02456	39.9
91.08994	0.6
95.00824	0.6
95.01369	3.1
98.22572	0.9
99.00887	1.2
99.04527	4.7
101.02457	24.0
113.02465	15.3
118.11808	0.6
119.03511	14.5
123.04545	1.8
129.02022	0.7
131.03537	1.2
133.02975	6.4
135.04541	3.2
143.03546	1.2
145.05077	0.8
149.04564	1.2
150.03258	1.4
151.04027	3.4
161.02464	18.4
161.04485	3.3
161.13394	1.7
162.02927	0.8
173.13368	2.1
179.03523	5.5
179.05632	5.1
180.03735	0.7
199.14948	4.4
217.16031	7.2
218.73666	0.6
235.08296	0.6
261.14938	4.9
279.16068	1.1
296.26102	0.6
423.20291	0.9
441.21344	100.0
442.21811	5.8
459.14969	0.9
621.18518	5.4
621.27673	65.0
622.28058	3.2
639.50861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.8
57.03448	3.4
58.00604	0.8
59.01383	100.0
60.01711	0.7
69.03459	1.3
69.24342	2.5
71.01385	58.2
72.99321	1.4
73.02950	14.8
75.00858	0.8
83.01387	6.2
84.02170	0.6
85.02956	25.2
86.00105	0.7
87.00883	4.0
87.04527	1.6
89.02451	25.7
91.79559	0.5
94.86950	0.4
95.01397	5.7
97.02962	2.2
99.00880	5.1
101.02451	31.3
111.00897	1.8
112.01672	0.7
113.02460	28.5
119.03514	10.2
124.01665	1.4
125.02468	4.3
129.01936	2.0
131.03496	1.5
133.02983	0.9
135.04509	0.9
141.01904	0.6
142.02795	0.4
143.03516	5.4
143.33083	0.5
149.00380	0.4
149.04649	1.0
159.03000	2.6
161.02464	1.0
161.04575	12.7
170.18309	0.5
179.05659	2.8
238.15547	0.5
255.19670	0.7
306.99426	0.4
399.23904	15.1
400.23965	0.8
417.24930	14.5
459.25961	0.8
487.25412	0.6
525.27203	0.8
531.28638	0.6
561.29187	80.6
562.29541	4.2
579.30249	70.2
580.30426	4.0
621.31262	8.6
622.31256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64167	0.7
59.01384	100.0
61.98830	0.7
69.45359	2.8
75.00893	1.2
90.07874	0.8
102.95705	1.2
103.01505	95.7
108.09008	0.7
126.93496	0.6
152.99533	1.3
277.52014	0.7
279.23267	2.6
307.60196	1.0
547.56665	0.7
623.33807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68524	1.0
58.11143	1.1
59.01385	100.0
68.30234	1.3
75.00892	3.0
78.95922	2.3
102.95728	1.6
103.00401	2.4
103.01505	84.5
106.06625	2.1
138.73122	1.3
141.44075	1.3
144.96317	1.3
152.99557	1.5
165.49390	1.1
250.15511	1.1
258.21106	1.2
319.25595	1.2
459.21518	3.0
473.23154	3.1
474.23801	3.3
502.23499	6.2
518.23016	2.8
519.23126	1.5
534.25854	4.3
546.22406	1.9
547.23779	1.6
578.24945	3.1
605.24664	1.5
622.23712	10.4
623.24872	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01382	5.5
69.10001	5.7
71.01379	4.0
73.02954	0.9
85.02954	10.8
89.02457	2.2
93.03464	30.8
96.95997	0.9
98.95606	1.1
99.00921	0.9
101.02434	2.3
109.02980	0.8
113.02462	1.5
115.00385	0.9
129.01939	1.3
133.02966	21.3
134.03740	1.8
135.04538	23.6
137.02457	29.0
137.03525	1.5
147.03015	1.5
149.06010	0.8
155.41451	0.8
159.04451	1.1
161.02458	80.7
162.02826	1.6
168.00713	0.9
174.01668	0.8
175.03929	1.0
177.01830	0.9
177.05600	4.2
178.02731	1.1
179.03516	23.1
191.01968	3.8
203.03477	1.3
204.03926	0.8
221.04584	6.6
225.11354	1.0
241.01543	1.3
251.05605	1.0
263.05640	1.2
280.05957	1.4
299.01959	2.6
299.07706	1.4
323.07739	43.6
324.08115	2.0
461.10925	100.0
462.11240	6.5
485.13187	1.1
507.20911	2.7
556.66089	0.8
623.12854	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01376	10.8
62.99291	1.9
67.50163	1.7
69.37911	4.6
69.38290	5.1
71.01398	5.1
74.44954	2.1
74.90510	1.7
75.00876	18.0
79.58966	2.3
80.47812	1.7
85.02961	6.7
87.00894	2.9
89.02450	6.8
96.96057	2.1
101.02454	2.7
104.95329	1.8
113.02491	4.1
117.01966	2.3
119.05019	19.4
133.02983	24.4
135.03020	71.5
135.04498	10.9
161.02467	100.0
163.04030	33.0
173.56633	2.1
179.03542	21.7
197.04549	2.2
229.98866	2.1
275.90872	2.6
281.06549	9.5
341.08817	41.3
342.09277	2.4
345.10934	3.3
507.21289	3.0
524.29260	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36542	0.8
53.43345	0.8
56.46176	0.8
59.01384	7.3
71.01398	8.8
78.01125	0.8
85.02964	8.5
89.02415	3.9
93.03441	1.6
95.01336	1.8
99.00872	1.9
101.02407	2.2
107.05025	1.1
108.02182	50.4
109.02993	10.7
113.02454	11.2
117.03438	3.3
123.04457	1.8
128.03473	1.1
132.02112	3.0
133.02966	33.8
134.03767	23.0
135.04546	18.0
135.95613	0.9
136.04938	1.1
137.02409	1.9
151.04027	1.4
152.01172	85.1
153.01791	2.8
153.05428	1.2
160.01617	2.1
161.02458	100.0
161.04514	3.5
162.02721	2.3
163.03967	3.1
175.03949	1.7
179.03502	9.3
193.05060	7.5
207.02931	1.1
223.06078	2.0
225.11317	1.2
313.29892	0.9
429.05502	1.1
429.10330	13.7
443.22595	1.5
447.11429	30.3
448.11060	1.2
461.10965	1.6
461.16412	6.5
623.16907	70.8
624.16748	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75856	0.6
56.06574	0.7
59.01390	3.9
60.54527	0.6
65.45266	0.6
71.01390	4.9
72.99322	1.5
73.02958	1.0
84.73242	0.6
85.02979	2.3
89.02455	1.8
89.02972	0.5
89.54414	0.6
91.23963	0.6
99.00883	1.5
101.02464	1.5
108.02182	59.5
109.02972	18.0
113.02471	3.8
115.00385	2.1
117.03456	0.9
121.02971	4.3
123.04548	1.4
132.02234	0.9
133.01454	3.6
133.02956	8.6
134.03670	1.0
135.04547	4.9
147.04530	2.6
149.02454	19.5
150.03256	6.6
151.04008	2.1
152.01167	100.0
153.01955	4.3
153.05565	0.6
161.02466	23.7
162.02789	0.9
163.04022	2.5
163.11314	0.7
164.04820	12.7
165.05563	2.2
167.03491	0.8
175.00388	0.9
176.01144	1.7
178.93561	0.7
179.03442	1.5
179.07137	0.9
190.02701	3.1
191.03543	4.1
194.02173	2.1
205.05066	2.3
207.10237	2.5
209.02682	1.0
209.04565	10.0
223.06125	5.9
225.11263	3.8
241.07173	1.8
243.12306	1.3
259.09744	2.6
285.06201	1.3
399.04550	1.0
399.09329	15.2
400.09744	0.8
417.10406	41.0
418.10742	1.3
461.16360	2.2
507.27908	1.0
558.95770	0.8
623.16107	62.9
624.16595	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89407	0.3
55.01860	0.4
57.03424	1.1
59.01383	5.3
63.54184	0.3
65.33031	0.3
65.55920	0.3
70.46389	0.6
71.01391	5.3
73.02921	0.3
77.50684	0.3
78.26167	0.3
83.01383	0.7
85.02959	11.8
87.00848	0.3
89.02458	2.5
89.03915	0.3
91.78865	0.3
95.01414	2.7
101.02428	1.0
101.34801	0.3
105.03483	0.5
113.02461	12.5
115.01884	0.4
117.03455	0.7
119.03488	0.5
123.04539	1.7
129.01941	0.6
132.02174	2.4
133.02969	31.5
134.03661	0.6
135.04535	12.8
136.04829	0.5
147.02985	1.1
150.03191	0.3
151.00389	0.5
153.05580	0.9
161.02457	100.0
162.02788	2.1
179.03484	2.7
187.03899	0.4
191.01988	2.7
199.03969	0.8
215.03647	0.4
227.03528	1.0
242.02345	0.4
243.03006	4.8
244.09125	0.3
255.03012	3.1
257.04596	0.7
270.01749	0.6
271.02502	9.2
271.05298	0.6
272.03119	0.6
285.04077	1.2
286.04803	0.6
287.05612	0.3
299.01971	7.4
300.02759	7.4
300.05914	0.5
312.82031	0.3
314.04358	7.0
315.05121	19.0
315.11078	0.8
316.05426	0.8
374.65967	0.3
461.16666	10.3
462.16806	0.5
481.25235	0.4
517.58380	0.3
623.19928	49.2
624.19910	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	623.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53543	1.8
57.03437	2.8
57.96189	1.5
59.01383	10.5
67.57113	1.4
71.01387	8.3
71.40910	1.5
85.02970	9.3
89.02452	3.2
95.01365	2.3
96.38165	1.5
96.96015	2.7
101.02454	2.2
108.02194	2.2
109.02957	17.9
113.02454	13.0
123.04520	3.7
132.02188	3.1
133.02060	2.4
133.02979	32.6
134.03748	2.4
135.04539	16.3
136.01682	19.7
143.04810	1.6
149.06068	2.0
151.04028	21.8
160.05276	1.8
161.02460	100.0
162.02895	1.7
175.04053	4.9
176.04829	13.1
179.03494	4.1
189.05859	1.7
191.05620	2.4
191.07175	16.5
207.01253	4.3
239.07132	4.2
250.06204	2.0
267.06653	38.7
282.09021	38.3
297.11334	90.4
298.11926	2.0
315.12195	5.1
327.12299	5.6
345.13440	61.2
357.13498	11.5
375.14328	13.9
461.16882	10.0
468.08798	1.8
537.73810	1.7
623.19940	54.7
624.19678	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	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01382	5.7
59.62668	0.4
71.01388	5.9
73.02982	0.4
77.03986	0.6
85.02957	6.5
89.02455	2.4
95.01400	2.5
101.02449	0.9
105.03429	0.8
107.05206	0.3
113.02462	13.8
115.01881	0.4
116.09313	0.3
116.81073	0.4
117.03439	0.5
119.03459	0.5
123.04543	1.5
132.02173	2.3
133.02969	37.7
135.04536	12.9
140.32671	0.4
153.05548	1.1
161.02460	100.0
162.02820	1.5
179.03523	2.5
254.21843	0.4
291.10663	0.3
297.09778	0.5
315.10748	1.0
382.30121	0.4
461.16736	5.9
462.16205	0.5
623.19849	26.3
624.20184	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	623.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43274	0.6
59.01383	6.7
71.01392	8.9
73.02942	0.9
73.11863	0.7
82.97273	0.7
85.02957	7.5
89.02463	3.3
93.30405	0.6
95.01406	2.5
98.22621	2.0
99.00877	1.0
101.02508	1.2
108.02181	40.2
109.02968	12.3
113.02458	10.4
115.00378	1.8
121.02987	3.4
123.04514	1.7
132.02191	2.3
133.01421	2.8
133.02962	36.5
134.03790	1.1
135.04529	14.4
147.04541	1.5
149.02457	13.9
150.03256	4.9
151.04030	1.4
152.01163	66.8
153.01904	2.7
161.02455	100.0
162.02821	2.2
163.04106	1.5
164.04785	8.2
165.05592	1.8
175.00443	0.9
176.01158	1.9
179.03551	3.8
179.07275	0.7
190.02765	1.9
191.03555	3.2
194.02312	0.7
205.05116	1.6
209.04582	7.9
223.06245	3.8
241.07243	1.7
259.09833	2.0
285.06207	1.0
299.01920	1.0
300.02924	0.8
315.05051	1.3
315.11063	1.2
399.09363	10.8
417.10416	28.8
418.10794	1.1
461.16711	9.4
623.18561	57.8
624.16772	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	623.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.9
59.01382	35.9
65.67577	4.8
69.64286	3.5
71.01377	15.0
73.02964	21.9
83.01440	5.4
85.02953	100.0
87.00865	6.0
89.02457	9.3
93.20831	3.9
96.76564	4.1
101.02468	19.4
108.58877	4.4
111.00902	4.4
113.02444	14.8
119.17799	3.8
121.49520	3.9
129.01947	11.2
131.03496	5.6
133.03011	6.5
135.04536	8.0
137.02461	6.1
145.02960	5.2
147.02985	13.4
151.04047	4.4
153.05580	4.9
155.61513	4.1
161.02467	21.8
161.04570	8.7
173.00945	4.2
191.02026	36.4
209.03032	10.9
339.12302	43.0
343.18338	4.7
416.50510	4.5
433.50287	4.4
623.19733	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	623.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25753	0.4
58.69863	0.5
59.01379	10.0
59.45518	0.4
61.98843	1.0
69.21320	2.8
70.23976	0.5
71.01385	12.5
72.99308	0.6
73.02932	0.5
83.01392	0.6
85.02958	1.9
85.06842	0.6
87.00859	0.5
89.02451	4.4
92.21840	0.5
96.96050	0.7
101.02454	4.2
105.03503	0.9
109.06634	0.4
113.02458	2.7
115.00383	11.6
117.03465	1.0
119.03487	1.7
121.10204	1.4
122.85129	0.5
132.02234	1.3
133.01445	0.8
133.02968	27.4
134.03802	1.0
135.04529	7.3
161.02455	100.0
162.02856	1.2
177.05528	0.8
179.03488	4.0
207.10185	0.6
221.04536	1.8
225.11391	0.5
251.05624	1.0
281.06717	1.2
328.40921	0.5
345.15567	12.9
463.19757	2.1
489.18176	0.5
507.18719	65.8
508.19086	3.0
582.07599	0.6
596.71503	0.6
623.19684	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	623.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20967	0.4
59.01384	13.7
61.98823	1.9
65.59155	0.4
71.01385	14.4
73.02962	0.8
82.38284	0.5
83.01389	0.7
83.15764	0.4
85.02949	3.9
85.27364	0.5
86.70326	0.4
87.00870	0.6
89.02451	5.0
95.01405	0.6
101.02447	5.3
105.03493	0.5
111.00941	0.4
113.02457	3.4
115.00376	11.8
115.01168	1.0
117.03436	0.6
119.03503	1.8
132.02187	1.9
133.01445	1.1
133.02968	27.7
134.03749	1.2
135.04529	7.9
161.02454	100.0
162.02791	2.3
165.09235	1.8
177.05586	1.1
179.03503	4.7
195.13940	0.6
198.73537	0.4
213.14932	0.8
221.04459	1.0
251.05460	0.6
273.82214	0.4
281.06555	0.8
345.11429	0.9
345.15576	15.2
346.15393	0.7
375.20309	4.9
417.21191	1.6
463.19803	0.8
507.18716	73.8
508.19019	3.3
623.20154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08253	1.1
57.03447	3.6
59.01383	35.6
70.71612	1.0
71.01387	42.2
71.40584	1.3
72.99303	6.7
73.02951	2.0
81.03463	2.0
83.01383	2.5
85.02957	43.0
87.00872	3.8
89.02446	22.2
93.03475	1.2
95.01395	20.1
99.00884	2.7
101.02463	8.3
104.02763	1.1
105.03452	2.7
108.02149	2.6
109.02946	3.6
113.02455	98.4
114.02821	1.5
119.03493	2.4
121.02941	2.3
122.03743	3.9
123.04531	44.1
124.04858	1.2
131.03528	11.7
133.02951	2.0
134.03754	1.3
135.04529	17.8
136.04968	1.2
137.02454	2.0
143.03526	4.3
149.02472	2.3
149.04558	11.1
150.03241	24.6
151.04016	83.0
152.04364	2.7
153.05589	2.1
161.00908	2.2
161.04567	25.8
163.04007	2.2
167.95363	1.1
177.05560	1.8
187.04024	1.4
191.05606	4.9
205.05054	3.9
233.06691	5.5
239.70450	1.2
277.09384	2.4
307.10394	2.4
315.10834	2.8
415.69394	1.2
429.59131	1.1
439.14786	2.5
459.15201	4.3
461.16553	5.0
543.16699	1.7
591.19324	100.0
592.19556	9.7
623.21960	51.7
624.21918	5.3
637.73456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01385	47.6
66.35600	1.9
69.42191	3.9
69.42613	4.2
71.01390	49.3
72.99326	1.9
73.02948	5.4
81.06200	1.6
83.01372	1.7
85.02471	3.1
85.02959	44.9
87.00887	7.2
89.02449	26.0
90.54053	1.4
90.55546	1.4
95.01408	17.1
97.02992	1.5
99.00848	3.6
101.02432	12.5
109.03005	1.5
113.02460	94.9
113.33226	1.4
114.02785	2.0
119.03562	2.2
120.35656	1.8
121.02984	2.0
122.03729	2.1
123.04545	37.7
124.04732	1.7
125.02449	2.5
131.03510	8.3
133.02914	1.6
135.03622	2.9
135.04541	27.6
137.02342	2.1
149.04526	6.5
150.03239	20.6
151.04025	66.8
153.05574	2.4
161.04550	19.6
163.04053	2.0
179.05669	3.9
191.05646	3.8
205.04906	1.6
221.06702	2.6
233.06725	3.9
307.10150	2.7
315.11179	2.6
459.14877	2.6
461.16690	9.0
591.19342	77.6
592.19800	6.9
623.22009	100.0
624.22113	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	623.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
69.91568	2.6
74.53400	0.8
78.95881	0.9
80.05054	1.9
103.01492	2.4
104.05038	3.7
106.06640	19.1
108.08217	10.2
118.06647	2.3
120.08164	1.6
130.06644	2.2
131.53737	1.0
132.04532	2.4
134.06145	2.6
148.03979	1.3
154.00043	0.7
158.02481	1.5
160.07654	1.0
174.05559	1.3
190.05098	5.4
207.09271	1.0
210.07863	0.8
211.08817	1.0
221.10980	4.4
223.08788	2.1
223.12390	2.5
224.09492	0.9
225.10387	3.9
227.11967	0.9
234.07961	1.0
235.08691	2.1
237.06763	2.0
237.10341	3.3
239.11928	2.3
247.08876	1.1
249.10393	6.9
250.07524	4.8
251.08372	6.0
251.11963	3.8
253.13280	1.7
255.15155	1.5
263.11728	1.0
264.09097	1.1
265.09866	19.0
267.11398	4.0
277.13654	1.7
293.09402	4.3
295.10953	4.4
299.36609	0.8
320.11545	1.0
360.17017	1.2
368.17712	2.8
370.19229	3.4
396.17426	1.1
412.16583	1.5
414.18320	2.0
479.24341	1.9
491.20871	1.8
503.24567	9.0
504.24524	1.0
529.22699	4.8
547.23553	100.0
548.23895	7.7
579.26270	1.0
591.22443	10.4
592.22864	1.4
623.25189	55.7
624.25403	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	623.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.36386	0.3
57.03458	1.7
59.01384	100.0
60.01718	0.5
67.01893	0.7
68.99812	0.4
69.03455	2.2
70.97215	0.5
71.01387	25.7
72.99312	0.8
73.02953	14.6
75.00896	0.8
81.03472	1.0
83.01398	9.4
85.02956	14.0
86.00098	0.4
87.00890	2.9
87.04522	79.6
88.04861	1.2
89.02457	4.9
93.03448	0.4
95.01395	3.6
96.96013	0.6
97.02959	4.6
99.00885	4.9
99.04538	0.6
101.02452	19.6
103.50481	0.3
109.02958	0.7
111.00893	2.1
112.01667	0.4
113.02458	16.6
115.04013	0.4
119.03508	1.8
124.01687	0.4
125.02458	8.8
127.04028	0.7
129.01978	0.3
131.03525	1.0
133.03021	0.3
135.04536	0.6
137.02478	0.8
139.04042	0.6
142.02817	0.3
143.03514	6.8
145.12395	1.3
149.04538	0.3
151.04030	0.3
153.09184	0.4
155.03497	1.3
159.03004	1.2
161.02507	0.6
161.04561	7.2
167.03554	0.4
179.03621	0.4
179.05574	0.6
185.04561	0.8
197.04631	0.3
203.05605	1.4
221.06714	1.0
227.05673	0.6
235.13387	0.5
245.06697	1.1
287.07596	0.6
289.16525	1.6
305.08939	0.4
307.17645	0.4
311.18716	1.0
341.19879	0.4
359.20953	0.7
377.21783	4.7
419.22964	4.3
433.20990	0.3
443.22903	0.7
451.21451	0.4
461.23886	0.7
485.24023	0.6
493.22983	0.6
503.24820	0.3
508.20709	0.4
515.25421	0.4
521.26062	15.0
522.26361	1.0
539.27130	20.5
540.27557	1.1
563.27234	2.7
581.28180	39.1
582.28558	3.5
623.29144	5.3
624.29810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3442
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01873	1.8
57.03445	1.8
59.01385	31.4
59.50827	0.8
69.03456	3.3
69.09689	2.9
69.10120	3.1
71.01390	25.4
71.05009	0.9
72.99316	0.8
73.02944	7.5
73.54213	0.9
77.63894	0.8
81.03455	2.6
81.90488	0.8
83.01405	3.7
83.05022	3.7
85.02960	9.7
86.00097	1.0
87.00883	10.6
89.02450	10.9
94.03907	0.7
95.01379	2.5
95.05038	2.1
97.02950	1.7
97.06579	1.4
101.02446	15.0
103.04005	0.9
109.06586	3.2
111.04559	0.9
111.08161	3.4
113.02458	9.6
115.04017	1.0
119.03476	2.4
119.26340	0.9
125.02448	3.4
129.01912	1.0
133.05086	1.7
133.06630	0.9
135.08168	3.3
137.09705	2.5
143.03503	2.0
145.05107	6.7
151.95110	0.8
161.04550	5.7
165.12880	1.0
172.11189	0.9
179.05663	2.0
187.06209	1.0
195.13945	1.0
203.14381	2.1
211.13400	0.9
213.14938	2.8
231.17522	2.6
235.08263	15.4
237.14914	1.7
239.16635	2.6
241.18027	1.9
245.19205	1.0
247.13289	1.8
251.16510	1.2
253.09364	1.2
253.18372	1.1
265.18042	1.9
267.19733	1.3
275.16589	3.4
277.18085	1.8
297.25958	1.2
315.26904	4.8
325.25357	7.7
333.28253	1.5
341.24908	4.1
343.26511	10.4
351.23441	5.0
359.25934	13.5
360.26434	1.2
361.27493	2.8
369.24347	21.9
370.24506	1.2
377.27026	1.7
387.25427	72.3
388.25653	4.5
405.26474	64.4
405.32056	1.5
406.26718	4.1
479.30167	3.9
547.23669	1.0
550.32269	1.1
595.35046	2.1
605.33423	1.1
623.34406	100.0
624.34741	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	623.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84280	1.1
57.03438	2.3
59.01383	33.4
61.98819	1.6
69.03448	1.5
71.01027	1.6
71.01386	26.1
72.99304	1.3
73.02937	7.3
73.80343	1.1
80.02680	1.2
81.03436	2.2
83.01382	3.9
83.04997	3.2
85.02960	6.4
86.00098	1.3
87.00880	10.0
87.04477	2.1
89.02460	10.4
95.01384	3.3
96.95997	1.2
97.02944	1.9
99.00861	1.7
101.01910	1.5
101.02461	17.1
109.06567	3.7
110.87719	1.1
111.04608	1.4
111.08121	4.3
113.02452	10.4
119.03472	3.3
125.02443	2.1
133.05035	1.9
135.08153	2.7
137.09685	3.3
145.05028	5.6
161.04526	5.0
177.95819	1.5
178.82072	1.3
179.05608	3.2
181.61423	1.2
181.62967	1.4
203.14365	2.4
231.17525	3.1
235.08276	15.9
237.14960	2.3
239.16574	2.6
241.17992	1.9
249.14908	1.5
251.16602	1.7
251.80614	1.3
263.16577	1.5
264.41724	1.4
265.18008	2.3
275.16461	3.2
277.18179	1.3
279.31308	1.4
315.26895	4.7
325.25452	6.7
341.24805	6.2
343.26495	8.7
351.23132	4.0
359.25882	14.6
361.27448	4.1
369.24323	20.1
377.26880	3.7
387.25436	76.1
388.25623	5.9
405.26492	65.1
406.26700	4.9
435.21692	1.5
479.29681	3.7
501.23276	1.3
520.72418	1.3
547.23456	6.8
548.23352	1.6
591.21637	1.6
595.34729	1.9
618.31891	1.3
623.24841	22.8
623.34235	100.0
624.25250	4.3
624.34552	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	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
65.00347	1.5
65.77525	0.7
70.99640	1.1
71.01400	2.3
74.16670	0.6
83.86726	0.7
84.41375	0.6
85.02974	2.4
86.59245	0.6
101.02466	0.8
107.01417	2.7
109.03006	1.7
115.00350	0.8
121.02975	1.5
133.03053	1.2
147.02957	0.7
149.02499	1.0
151.00360	7.9
161.02470	0.9
167.03438	1.6
171.04567	1.2
175.00359	1.0
175.03967	1.2
178.99875	1.8
183.04587	0.8
187.03929	0.7
197.04648	1.0
199.03992	3.9
201.02037	1.4
203.03500	1.2
209.11790	0.8
215.03487	1.6
226.02777	1.6
227.03551	3.1
229.04955	0.9
243.02930	5.5
254.02312	0.9
255.03006	1.6
271.02490	61.6
272.02878	2.4
277.85757	0.7
299.01987	100.0
300.02612	16.7
301.03561	45.9
302.03952	1.3
313.03397	1.0
319.00473	0.7
343.04532	1.7
462.01440	1.0
462.08060	25.3
463.08847	40.1
464.09134	1.9
505.10037	1.0
509.22562	3.8
625.14111	69.9
626.14410	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94161	0.7
52.86101	0.5
55.36468	0.5
59.01377	1.2
65.00349	0.8
69.41181	2.8
81.78242	0.6
83.01406	0.8
85.02965	1.8
88.45802	0.5
88.70156	0.5
96.96020	0.6
107.01414	2.1
109.02968	1.0
121.02979	1.9
133.02948	0.8
135.00900	0.7
137.02376	0.7
149.02501	0.7
151.00349	7.5
155.05115	0.8
171.04462	0.6
175.03975	0.8
176.51089	0.6
178.99863	1.6
197.04568	0.8
199.03967	4.0
201.01997	0.8
209.11841	0.8
215.03499	2.1
226.02759	0.8
227.03506	3.5
242.02196	0.7
243.03003	5.8
254.02124	0.7
255.02933	3.2
271.02502	59.9
272.02982	1.5
299.01990	100.0
300.02658	14.0
301.03552	45.3
301.07135	0.9
302.03799	1.7
325.99313	0.6
343.04544	1.5
462.08072	21.7
463.08859	35.1
464.09113	1.2
505.09708	1.0
625.14124	65.1
626.14368	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	625.1414
Annotation	Quercetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.78125	0.8
59.01365	2.2
63.07800	0.8
65.00332	1.9
69.62172	2.8
71.01382	3.1
73.02949	1.1
77.74768	0.9
85.02969	2.2
89.02454	1.8
97.67838	0.8
101.02486	1.1
107.01407	4.0
108.02207	1.9
109.02963	1.1
113.02480	0.9
121.02983	2.5
121.97656	0.9
123.00870	1.3
124.01659	3.4
125.02458	3.1
126.33014	1.0
148.01671	1.5
149.99635	4.3
151.00392	15.2
157.11888	1.0
158.12807	0.9
163.00380	2.5
168.00645	7.0
169.01407	1.3
178.99936	5.3
211.03899	1.4
226.02791	1.7
227.03558	2.5
243.02963	12.0
245.04497	1.6
254.02196	2.3
255.00410	1.8
255.02995	23.7
271.02505	56.7
272.03024	3.1
273.04013	1.6
283.02469	1.8
299.01956	1.6
300.02765	81.9
301.03516	43.2
302.03867	1.6
331.06537	1.1
343.04434	1.6
345.27304	1.0
379.08810	1.0
463.10669	2.8
509.22351	4.9
625.14136	100.0
626.14374	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	625.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
56.92326	0.5
57.03451	13.8
59.01383	13.0
71.01392	9.2
72.99310	2.2
73.02951	1.4
75.00874	3.2
83.01392	4.7
84.02184	1.9
85.02957	100.0
86.03277	1.5
87.00870	1.8
89.02449	3.0
99.00919	0.9
101.02440	4.5
101.46507	0.7
103.00374	2.0
111.00893	6.5
113.02433	1.3
114.05591	2.0
115.00397	1.8
119.03519	1.2
125.02448	0.9
129.01962	10.3
131.86868	0.6
133.01427	0.9
141.06656	0.7
145.01355	0.7
147.03001	15.2
151.00363	2.2
161.02475	0.7
161.04572	0.9
173.00925	2.6
178.99893	1.3
189.10110	0.6
191.01987	41.6
192.02516	0.7
209.03001	1.3
209.11790	10.5
227.12865	2.2
242.02385	0.7
243.02979	0.9
255.03072	1.4
270.01706	1.0
271.02570	4.1
272.03293	1.6
277.98590	0.8
299.01999	5.0
300.02771	2.4
301.03592	2.1
316.02026	1.2
317.03131	0.7
324.82294	0.7
347.16843	0.9
389.18274	3.6
397.13644	3.5
415.14664	1.6
509.22449	2.0
538.51941	0.6
539.19928	1.9
563.19611	1.3
581.21521	5.7
582.21454	0.8
607.13025	1.4
625.13916	4.5
625.31970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	0.4
59.01091	0.2
59.01385	3.6
61.10633	0.2
69.28229	0.5
69.28619	0.4
71.01385	11.7
73.02951	2.2
75.77328	0.2
78.84613	0.2
83.01383	1.3
85.02951	2.5
87.00889	0.3
89.02456	0.5
95.01359	0.4
98.21829	0.2
99.00893	0.7
101.02454	5.2
105.03482	0.6
113.02469	1.7
115.00385	11.4
117.03445	0.7
123.04521	0.2
132.02176	1.3
132.37320	0.2
133.01369	0.8
133.02965	27.6
134.03743	0.6
135.04541	4.5
159.02971	0.3
161.02454	100.0
162.02789	2.6
179.03513	1.8
185.11874	0.3
347.17123	11.9
348.17307	0.6
378.32208	0.2
463.17911	0.4
465.21649	0.6
491.19278	0.5
509.20303	67.2
510.13129	0.3
510.20636	4.5
625.21759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44693	0.1
55.01880	0.6
57.03456	0.4
59.01086	0.2
59.01382	3.6
71.01388	12.3
72.99294	0.2
73.02957	2.0
83.01385	1.3
85.02954	2.7
86.00120	0.3
87.00880	0.2
88.54000	0.2
89.02450	0.7
89.73713	0.2
95.01395	0.2
99.00887	0.7
101.02453	5.0
105.03426	0.4
111.00879	0.2
113.02460	1.8
115.00384	11.2
117.03492	0.8
119.03529	0.2
123.04591	0.3
125.02405	0.2
132.02164	1.5
133.02969	27.3
134.03680	0.9
135.04538	4.7
147.72340	0.1
150.04079	0.2
159.02904	0.2
161.02460	100.0
162.02806	2.1
179.03494	2.2
185.11871	0.4
303.18005	0.2
347.17114	12.3
348.17447	0.5
350.37787	0.2
394.47989	0.2
463.18396	0.2
465.21304	0.7
491.19345	0.6
506.53006	0.2
509.20313	69.6
510.20682	5.1
625.21307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01384	8.3
61.98851	1.2
63.37688	0.6
69.17808	4.8
71.01393	14.3
72.00566	0.8
73.02976	1.4
83.01404	2.4
85.02958	5.0
89.02456	0.9
101.02463	5.7
109.02944	1.0
113.02455	2.6
115.00384	14.8
116.92845	0.9
117.03529	1.4
123.04492	0.7
132.02199	2.8
133.01443	2.1
133.02971	33.3
134.03772	1.8
135.04553	6.2
145.03008	0.8
160.91945	0.8
161.02461	100.0
162.02792	2.2
177.01952	1.5
179.03511	3.9
185.15479	0.9
187.69991	0.8
191.01865	0.8
274.35165	0.8
329.19623	3.3
347.17114	12.5
351.84171	0.8
370.67685	0.9
371.93253	0.8
373.18579	5.6
465.21231	1.1
509.20319	73.4
510.20346	4.4
625.25055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03451	2.0
59.01384	31.1
71.01388	31.0
72.99325	1.3
73.02953	6.0
74.85519	0.9
81.03493	1.1
83.01403	6.9
83.05032	4.1
84.02216	1.2
85.02956	15.1
86.00106	0.9
87.00864	1.8
87.46846	0.9
89.02460	12.8
95.01399	3.1
97.02966	1.9
99.00887	2.3
101.02447	22.6
113.02449	14.2
114.16358	0.9
115.00383	13.6
117.85582	1.0
119.03526	3.1
125.02441	4.2
128.03545	3.1
129.01938	1.2
131.82816	0.9
132.02170	1.0
133.02979	10.6
134.03320	4.2
135.03593	1.2
135.04530	3.6
143.03546	1.4
161.02460	28.3
161.04567	2.8
162.02811	11.0
163.03000	6.1
163.11307	2.7
165.12860	1.5
171.07744	1.7
179.05684	1.8
185.11871	2.4
191.01959	1.7
209.11841	55.8
227.12883	9.2
235.08250	1.4
247.13736	2.8
253.09244	1.5
303.17932	1.2
347.17047	9.9
397.13568	19.9
415.14603	10.0
462.17111	1.3
463.16641	1.4
509.22433	100.0
510.22858	5.5
527.90582	1.0
625.20154	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	625.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
58.98373	1.9
59.01385	100.0
61.74739	1.9
69.39458	2.2
71.01392	35.2
73.02953	18.2
83.01396	10.6
85.02969	19.0
89.02457	5.9
95.01363	3.8
97.02955	3.3
99.00890	8.4
101.02459	30.4
112.01686	2.3
113.02457	18.3
116.12635	1.9
116.92909	2.1
119.03524	2.8
125.02423	6.3
133.03021	3.3
143.03506	7.4
147.94217	2.0
148.91083	2.1
156.58040	1.9
159.02991	2.9
161.02463	8.0
161.04556	9.8
291.18152	16.3
333.19174	5.7
435.22250	19.8
453.23499	19.4
477.23459	5.2
495.24536	61.8
537.25470	10.8
625.20142	3.8
648.13953	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
56.07320	1.1
57.03451	3.2
58.57085	1.1
59.01385	38.7
63.63068	1.0
69.03468	2.1
69.06802	6.4
70.28269	1.0
71.01390	41.2
72.99377	1.0
73.02951	7.2
75.00882	1.1
76.08752	1.0
78.25601	1.0
81.03468	1.4
83.01400	5.8
85.02952	25.2
87.00883	5.5
89.02457	14.3
95.01393	2.1
97.02998	1.5
99.00908	5.1
101.02453	24.3
107.01366	1.4
111.00922	1.3
111.34850	1.1
113.02476	9.3
115.00391	15.9
119.03524	5.1
125.02438	2.9
129.01926	3.5
133.32494	1.0
143.03531	1.5
147.03047	1.5
151.00337	2.5
157.26309	1.4
161.04596	4.4
166.63097	1.1
179.05695	7.1
185.11919	1.5
186.98035	1.0
191.02072	5.5
209.11850	1.6
243.02905	1.6
255.02985	5.0
271.02502	8.7
277.05643	1.6
300.02744	15.4
301.03513	7.9
303.18091	2.5
347.17108	42.2
463.09113	1.7
477.44653	1.2
509.22440	100.0
510.22772	5.2
625.14130	15.2
625.23865	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	625.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11696	0.4
59.01376	2.4
59.60109	0.4
61.98832	1.2
71.01366	1.0
77.77367	0.5
79.95749	3.8
85.02949	0.7
96.96017	100.0
135.04535	1.9
153.08794	0.4
161.02448	1.2
161.08250	0.4
179.03558	1.2
229.43159	0.4
230.73773	0.5
325.37231	0.5
468.11502	0.5
504.18207	0.5
539.25372	13.2
581.26404	26.6
582.26733	2.4
607.24670	1.1
625.25378	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	625.2678
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
63.95159	1.1
67.97652	1.2
69.92072	2.4
69.92448	2.0
80.50333	1.1
82.19061	1.1
112.60120	1.2
156.44505	1.2
161.72176	1.2
162.97922	1.2
454.61749	1.3
459.22052	2.1
473.19778	2.2
475.21170	2.3
487.20840	6.6
488.22260	4.7
502.23676	7.4
503.24307	4.4
505.21997	1.7
506.50989	1.4
513.22870	1.7
515.21307	1.7
516.21710	7.3
519.24432	5.7
531.24072	20.3
532.24103	2.2
534.22675	4.0
549.25134	100.0
550.25348	8.9
563.22784	3.7
593.24530	6.2
594.23541	1.5
595.24847	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.8
57.03431	1.6
59.01086	1.5
59.01384	29.5
61.98817	3.2
69.03461	1.7
70.34109	1.9
71.01025	1.2
71.01388	17.3
72.99310	1.4
73.02940	3.1
77.65199	0.8
78.95904	0.8
82.34428	0.9
83.01385	3.2
83.05023	0.9
84.66325	0.9
85.02946	8.4
87.00880	2.7
89.02454	14.7
91.35329	0.7
95.01385	1.7
97.02947	1.9
99.00882	1.9
101.02453	10.9
105.50329	0.8
111.08189	1.1
113.02473	5.1
115.00370	0.9
119.03516	3.0
125.02473	4.5
128.03571	1.1
129.01929	1.5
133.01439	1.3
133.02971	1.9
135.04518	2.4
143.03525	1.7
143.04628	1.8
154.95294	0.8
161.02461	3.8
161.04570	2.9
165.12857	8.8
179.03471	4.5
179.05643	1.5
183.13922	63.1
184.14236	1.4
191.01953	1.0
221.06619	1.2
227.12869	9.1
235.08353	1.3
272.08994	0.8
283.13370	4.0
300.02856	2.9
301.03522	3.2
301.14505	1.4
327.16229	0.9
359.32797	0.9
397.13458	5.2
415.14502	4.9
463.08966	1.5
593.13239	0.9
625.27142	100.0
626.27551	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82140	10.7
53.09610	7.8
59.01387	75.9
61.98842	17.5
62.54056	8.7
69.37623	8.4
71.01392	47.1
71.40540	7.8
71.56728	7.9
73.02965	31.1
78.85574	7.6
85.02963	33.8
85.43568	7.5
87.04514	100.0
87.68390	7.6
99.00887	12.1
101.02467	37.5
113.02475	15.7
133.01456	11.3
133.02943	17.8
135.04437	12.1
137.02391	8.4
137.06107	9.8
155.10869	9.4
161.02495	22.4
161.04539	9.9
170.08394	7.8
172.56505	7.7
179.03462	10.9
204.65675	7.9
337.64243	9.0
521.26532	15.2
539.27142	53.7
568.53613	10.7
581.28082	23.1
625.27704	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	625.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.5
59.01368	0.6
62.33962	0.3
69.21420	2.2
72.00932	0.7
74.02474	3.5
82.02982	3.1
82.06634	0.8
84.04549	8.1
84.76011	0.4
85.02945	0.7
86.02487	0.8
112.24383	0.4
116.03532	0.4
121.02907	0.4
127.05139	1.1
128.03537	5.5
128.10817	1.3
131.67905	0.3
141.10355	2.8
142.12378	0.5
149.02432	0.5
153.44164	0.4
154.12401	0.4
159.40515	0.4
167.11966	2.1
168.08925	0.5
168.10353	0.5
169.13481	3.4
171.15024	4.6
176.87733	0.4
181.05005	0.4
195.11467	0.9
197.12959	32.1
198.13370	0.5
207.92442	0.3
215.14008	100.0
216.14339	2.6
249.31592	0.4
258.09116	1.0
259.09763	0.7
284.03195	0.9
299.05627	0.9
309.52460	0.4
317.06769	0.5
322.18304	0.5
625.18298	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	627.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15250	1.2
55.51504	1.3
57.03447	1.5
59.01388	13.0
68.78621	1.3
69.81330	2.7
69.81718	4.1
71.01393	20.4
73.02970	1.4
85.02954	20.5
87.00898	1.7
89.02466	8.6
95.01397	9.2
101.02453	2.4
104.86384	1.2
113.02465	45.3
123.04534	2.4
135.04546	31.0
135.23723	1.3
151.03990	3.1
153.05589	2.6
161.04523	4.1
246.62126	1.4
262.40259	1.4
267.44821	1.5
296.41165	1.4
297.09845	1.9
298.32785	1.4
315.10751	2.6
351.18872	1.5
459.15085	3.8
461.16675	100.0
462.16876	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.67218	0.6
60.03415	0.6
66.76251	0.7
69.10789	2.3
69.11214	2.3
72.51453	0.6
72.52567	0.6
72.53297	0.7
73.02939	1.3
78.95902	0.9
81.03432	0.7
96.95988	1.1
134.79695	0.6
336.12827	0.8
368.56253	0.7
437.12589	1.3
438.13391	2.5
451.14001	1.8
452.14838	6.6
453.15207	1.2
465.15750	1.1
478.12964	0.8
480.14511	2.1
481.15018	11.0
482.15222	1.3
493.15317	1.1
494.15836	1.2
495.16745	19.3
496.17218	3.4
498.15634	0.9
507.27609	0.9
508.17874	4.0
509.18512	1.0
521.14728	1.0
523.19989	1.0
533.18781	0.9
535.16309	2.9
536.16724	3.4
539.15326	0.9
540.16895	4.3
551.19452	42.7
552.19696	5.1
554.17896	2.8
555.18457	1.2
572.15515	1.8
586.17413	1.6
595.18451	7.4
596.18689	0.9
627.21063	100.0
628.21234	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	627.2104
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.22388	0.2
55.40261	0.2
69.70872	0.9
73.02908	0.9
73.03291	0.2
80.45629	0.2
98.22701	0.2
126.60217	0.2
139.23238	0.2
149.64384	0.3
275.33142	0.2
437.12357	1.1
438.07568	0.2
438.13159	1.7
449.15530	0.3
450.13290	0.7
451.14154	1.6
452.14932	4.4
465.10999	0.4
465.16397	0.6
466.16470	0.7
467.17618	0.4
479.17230	0.9
480.14008	2.1
481.14981	8.7
482.15494	1.0
484.14026	0.3
492.18213	0.3
493.15604	1.7
494.15860	1.3
495.16776	18.6
496.17175	1.9
498.15576	0.5
507.15967	1.1
508.18304	3.7
509.18359	1.7
512.17255	0.3
521.14648	1.0
522.15448	1.0
523.19623	1.2
524.19604	0.3
525.17816	0.3
526.14697	0.5
533.18195	0.8
535.16290	2.6
536.16986	3.7
537.17346	0.5
539.15179	0.4
540.16846	4.4
541.16870	0.4
551.19403	46.4
552.19757	4.7
553.17322	0.7
554.18323	2.3
555.18793	1.6
567.18793	0.7
568.16888	0.4
572.15637	1.7
583.21582	0.4
586.17120	1.2
595.18414	10.0
596.18542	1.2
627.21014	100.0
628.21338	11.7
628.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74588	7.3
59.01385	100.0
63.56378	7.6
69.20805	40.9
71.01394	51.5
73.02961	8.8
83.16566	7.5
84.04565	9.0
84.05087	6.9
85.02962	14.1
89.02450	84.4
95.01417	9.2
96.96021	24.1
99.00880	11.4
101.02454	55.4
113.02463	32.6
119.03516	10.4
121.02975	13.8
122.03689	8.0
125.02467	13.1
128.03497	11.2
139.04016	19.3
160.25153	7.8
161.04575	13.0
165.05560	40.1
171.57864	9.3
179.05603	74.2
183.06644	17.0
197.12964	28.2
198.13326	14.8
215.14043	79.3
216.14336	32.5
221.06685	38.0
323.09937	9.0
362.27081	8.7
385.78604	8.1
507.17267	16.5
525.18335	13.4
567.18256	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89211	1.1
67.73114	1.0
98.21813	2.1
114.24923	1.1
117.08910	1.0
128.02538	1.1
222.60803	1.1
243.72231	1.1
393.51004	1.1
429.17319	2.1
430.18274	2.5
451.15167	1.3
473.19839	11.2
490.19958	3.1
493.17096	1.6
495.17795	1.1
500.18555	4.7
507.17810	1.5
508.18817	3.5
513.19482	3.7
523.21179	2.6
527.21466	3.0
528.21490	9.9
532.21283	3.8
533.19604	2.1
535.17322	1.4
536.18402	2.3
551.20660	100.0
552.21130	9.4
595.19659	55.8
596.20166	4.0
627.22174	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85220	0.4
55.07239	0.4
59.01384	3.1
69.73080	1.3
71.01388	11.1
73.02947	0.9
83.01390	0.5
85.02947	1.0
87.00903	0.4
89.02438	0.9
91.21828	0.4
98.22635	0.4
101.02444	1.4
105.03432	0.4
113.02486	0.5
115.00378	11.4
117.03465	0.7
132.02173	1.1
133.02971	25.4
134.03717	0.4
135.04530	3.0
136.99319	0.4
161.02458	100.0
162.02878	1.8
179.03497	1.0
187.13405	10.5
349.18704	30.9
350.18945	1.3
511.21869	72.4
512.22107	4.0
627.23230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41653	0.5
55.53697	0.4
55.68518	0.4
56.78851	0.5
59.01378	2.8
61.98825	0.6
69.20116	2.8
71.01389	9.1
72.10093	0.5
73.02925	0.7
76.57619	0.5
80.96554	0.5
83.01393	0.7
85.02990	1.3
101.02452	1.7
105.03483	0.4
110.87597	0.5
113.02464	0.9
115.00384	10.3
117.03509	0.7
129.74928	0.5
132.02214	1.0
133.01422	1.5
133.02971	25.4
135.04552	3.2
141.12878	1.0
144.97528	0.5
161.02458	100.0
162.02808	1.4
179.03496	1.3
187.13409	7.9
331.17477	0.9
347.50275	0.5
349.18710	23.7
511.21875	70.0
512.22198	2.8
521.06165	0.5
627.22589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
57.09548	0.6
58.00585	2.8
59.01384	5.6
60.99274	0.7
69.14189	1.7
69.14599	2.7
69.40757	0.7
71.01385	27.2
72.99310	1.7
73.02937	1.1
78.02436	0.6
85.02960	2.8
86.17453	0.6
88.98800	1.6
89.02425	1.8
101.02451	2.2
113.02454	3.0
115.00375	11.6
133.01451	3.3
133.03000	1.2
135.04533	2.6
143.04622	1.1
151.11281	6.8
161.02463	3.0
161.04579	2.3
179.03419	1.3
191.14444	5.5
219.13745	0.7
259.20721	2.1
263.13116	1.1
287.20175	3.5
305.21262	12.5
319.22763	2.3
349.20215	100.0
350.20554	4.8
391.21307	15.7
421.22025	1.2
465.21277	1.0
511.18008	1.6
511.25311	8.0
585.26868	1.8
609.25824	1.2
627.26459	7.5
627.34863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21465	3.0
57.28350	3.6
59.01383	20.3
61.98840	29.1
71.01389	8.1
73.02952	10.0
85.02981	14.3
89.02437	5.3
93.03471	3.1
101.02460	14.3
111.00908	4.4
113.02490	13.7
116.92829	4.3
119.03511	3.3
133.02963	6.0
135.04570	5.2
137.02467	7.4
154.20140	3.5
155.10797	100.0
160.01610	3.9
161.02400	10.1
161.04582	4.8
167.03517	10.3
196.64986	4.2
201.82706	3.2
290.79285	3.7
359.17099	8.2
400.98770	3.6
419.15436	3.9
482.16205	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	628.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
61.90378	1.6
61.98845	2.6
71.01387	12.8
71.42046	1.7
72.38440	1.6
82.02987	17.1
83.01383	2.4
85.02958	5.0
88.63960	1.5
89.02464	2.7
96.96011	1.5
99.00899	2.6
101.02451	2.3
113.02464	2.0
115.00377	7.0
122.06127	8.9
124.04044	2.2
133.01433	3.7
133.02953	3.5
135.04539	5.6
136.04041	5.1
161.02461	8.0
162.02798	2.6
173.33008	1.9
179.03560	2.2
188.07074	1.8
194.04572	4.3
197.04469	1.8
198.78607	1.5
239.08339	2.1
239.12077	3.4
241.06432	2.2
253.09874	2.3
255.07623	3.0
257.09412	3.0
267.07700	2.3
269.09436	3.3
270.10223	2.7
281.09311	3.2
282.07669	5.1
283.07254	10.1
283.10629	3.1
285.12415	2.4
291.11429	3.8
293.12866	4.2
297.08762	7.0
298.09631	23.5
299.10333	24.6
301.07227	1.7
313.12009	4.5
325.08105	4.5
342.08530	7.0
343.09338	42.7
357.11026	7.4
361.15137	4.6
362.15045	2.8
387.13449	2.1
388.13071	1.9
389.13635	23.7
402.14359	2.2
404.16168	18.3
430.14224	1.7
436.18762	6.6
448.15094	26.9
480.17795	100.0
481.18146	8.6
512.20416	21.2
597.23560	3.5
629.22510	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	628.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00803	0.5
59.01385	0.5
62.13659	0.5
67.24574	0.6
68.79326	0.6
69.10752	3.6
70.19931	0.6
70.34876	0.6
71.01386	1.8
75.24884	0.5
76.64629	0.5
85.02969	1.7
98.22633	1.1
109.62288	0.6
110.06127	1.7
115.00383	1.5
121.05347	1.3
122.06096	3.2
133.01434	1.3
144.04539	3.3
146.06136	0.7
154.28450	0.6
160.04102	1.1
161.04813	1.0
172.04077	1.6
173.04813	1.0
174.05568	1.0
188.03709	0.6
191.02003	1.2
203.05916	2.2
204.06641	5.8
212.05894	3.4
224.40730	0.6
227.11977	0.6
228.12616	0.7
233.44785	0.6
237.10283	3.2
239.08289	2.1
240.08929	0.8
251.11829	1.7
252.12683	2.7
253.06223	2.9
253.09706	2.8
255.11467	1.3
266.06995	0.6
267.07748	3.7
267.11340	1.5
268.08527	2.4
268.12186	2.9
269.12836	0.8
279.07709	1.0
280.08527	1.8
281.09317	6.9
285.08789	1.1
295.10907	5.4
296.11633	15.0
297.12137	1.0
299.10287	1.9
300.11017	1.3
311.10379	1.1
312.11359	1.1
313.11908	1.3
318.17105	0.6
325.12012	1.3
327.13474	1.0
328.10587	2.2
328.14252	1.5
329.11533	0.8
340.10626	1.7
343.13113	1.0
360.13028	0.7
372.13751	0.6
374.18866	1.2
392.19366	0.6
393.18106	0.6
406.17685	1.9
418.17749	7.2
436.18765	5.5
450.20340	0.9
462.16553	1.2
480.17810	5.5
494.19391	1.7
512.20410	100.0
513.20642	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	628.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.6
69.15245	2.1
69.15642	4.8
71.01396	9.8
75.99650	0.9
83.00493	1.1
85.02948	2.1
101.02472	1.2
108.19887	1.0
110.06106	3.2
115.00371	9.7
121.05370	1.0
122.06119	7.9
133.01431	3.4
133.02943	2.5
135.04570	6.9
144.04552	3.6
146.06133	2.5
160.04037	2.4
161.02440	5.0
162.05591	1.3
168.06557	1.5
172.04164	2.2
173.04810	3.3
174.05623	1.5
179.03473	4.0
200.91689	1.1
204.06688	2.4
212.05882	1.0
222.07907	1.2
225.06674	2.8
228.41309	1.0
237.10405	2.7
239.08266	3.9
240.09058	2.7
241.09720	3.0
251.11826	3.5
252.10306	1.1
252.12701	2.6
253.06236	5.7
253.09720	5.5
254.10593	1.2
255.11403	1.3
266.07043	2.0
267.07733	9.3
267.11349	3.0
268.08551	3.4
268.12006	4.7
269.12909	2.2
279.07761	2.6
279.11182	1.4
280.08466	3.7
281.09305	13.1
283.10706	1.4
285.03979	1.2
294.09732	1.0
295.10886	19.1
296.11661	39.6
297.12183	2.2
299.10266	1.4
300.11136	1.2
307.39862	1.0
311.10355	1.7
328.10742	11.9
328.14468	1.7
340.10553	1.8
374.18533	2.5
392.20032	1.4
406.17969	1.8
418.17770	15.9
436.18823	14.3
454.19876	7.3
462.16666	6.2
480.17786	100.0
481.17908	4.9
494.19199	2.0
512.20172	35.5
513.20691	1.3
593.18970	4.8
596.18884	20.8
596.28064	1.8
597.19415	1.6
628.21442	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	628.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07487	11.1
72.04553	11.6
82.02988	44.1
97.90941	1.6
98.02489	17.3
100.04060	23.6
106.04253	2.1
119.05058	24.4
127.05159	9.9
128.03543	1.7
192.10301	4.6
218.08260	3.5
220.09813	11.7
247.10951	1.6
264.08780	100.0
265.09171	3.9
265.11908	28.1
276.77182	1.5
459.58160	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	629.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44650	0.9
52.10248	1.1
55.01876	5.1
57.03451	17.2
66.68134	1.1
69.22867	2.3
69.23274	4.9
70.39827	1.3
75.20468	1.1
75.89783	1.1
83.01407	10.8
85.02961	100.0
86.03276	1.1
91.01907	4.1
93.03465	33.5
108.02186	16.1
111.00889	27.8
121.03020	2.7
123.00851	1.1
123.03746	1.7
123.04548	17.0
124.01653	1.2
129.01956	63.1
136.01666	4.3
137.02458	23.9
147.02975	3.8
147.04469	2.4
149.06122	2.3
151.04147	1.3
152.01164	18.4
154.99843	2.3
166.02705	1.9
167.03516	60.5
168.03711	1.6
173.00931	7.8
175.03943	1.2
177.05576	21.7
177.85571	1.2
185.59277	1.3
191.01971	1.6
192.04285	3.7
205.05093	14.7
207.06651	4.5
231.02953	1.7
231.95273	1.1
235.06131	16.6
237.62923	1.1
249.04083	8.5
270.99084	1.1
279.05188	2.6
293.03088	4.0
293.59662	1.2
297.06104	6.4
323.04062	2.3
341.05252	9.7
359.06186	4.6
389.40897	1.2
494.95111	1.4
495.02182	1.3
509.09222	2.5
512.92792	1.5
658.80322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03453	13.1
59.01371	1.9
67.01896	1.2
71.01393	1.8
71.39261	0.9
74.99097	1.8
77.02341	0.7
79.62636	0.6
83.01398	7.3
84.02161	0.6
85.02958	100.0
86.03292	1.3
91.01898	3.2
92.02699	0.7
93.03474	17.0
95.01374	0.9
97.02956	0.6
106.38634	0.6
108.02185	9.1
109.02995	1.2
111.00895	18.9
118.98088	12.6
121.02988	1.1
123.00898	1.9
123.04543	14.6
124.01685	1.2
126.05617	2.4
129.01959	43.5
136.01675	4.1
136.99159	0.7
137.02457	14.5
145.03020	1.0
147.03023	4.3
147.04529	0.8
149.06070	0.9
152.01193	7.0
154.99863	1.6
159.04565	1.8
161.06131	0.7
166.02725	2.9
167.03514	35.8
168.03841	0.9
173.00928	5.4
174.03166	1.0
177.05612	11.2
181.05069	0.9
189.05583	0.9
191.02040	2.4
192.04298	3.3
200.81036	0.8
204.03313	2.2
205.03291	0.8
205.05101	12.4
206.05412	0.7
207.06613	4.7
220.03798	1.1
235.06129	19.1
249.04108	6.0
279.05176	2.8
287.05719	1.0
293.03204	2.0
297.06100	6.7
311.04178	1.4
323.04224	0.8
341.05167	7.3
359.06168	3.2
509.09326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68718	0.4
55.01886	0.7
57.03449	3.4
59.01376	1.6
71.01370	1.0
71.05026	0.7
74.99104	14.2
81.03472	2.0
83.01395	2.4
83.05019	0.4
85.02958	29.1
86.03301	0.5
89.20527	0.5
91.01914	1.0
93.03465	6.3
96.04549	0.5
96.95996	1.0
99.04527	1.9
107.05048	0.6
108.02193	3.2
108.02810	0.6
109.02960	1.5
111.00888	6.5
113.02423	0.6
118.98099	100.0
120.99670	0.5
122.03807	0.5
123.04539	3.6
126.05623	3.7
127.04042	0.6
127.05945	0.9
129.01956	10.9
133.03029	0.5
133.06592	0.7
134.74266	0.5
135.04552	1.1
135.08211	0.4
136.01694	0.7
137.02457	5.7
137.35707	0.5
145.02972	1.8
147.03050	1.4
147.04465	0.5
149.06082	0.6
150.06912	0.5
152.01222	2.9
160.99190	0.5
161.02510	0.9
161.06093	3.9
163.04120	0.6
163.07648	0.4
166.02679	0.7
167.03514	10.9
169.44554	0.4
173.00987	2.2
177.05574	3.3
179.03532	1.0
179.61111	0.6
191.01968	0.7
192.04303	0.9
197.04585	0.5
204.03430	5.1
205.03537	0.7
205.05127	3.9
207.06651	1.2
233.11873	1.6
235.06186	5.2
243.10315	1.4
249.04033	1.7
261.11322	9.9
262.11725	0.6
279.05185	1.0
285.11404	1.0
291.55011	0.4
297.06204	1.3
301.09317	0.6
319.10178	0.8
341.05099	2.2
344.14218	0.5
359.06406	0.9
399.20435	0.5
423.16034	0.9
424.16425	1.1
465.17807	1.4
509.09134	0.9
541.17969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01382	17.8
69.39591	3.3
71.01390	21.5
80.19940	0.8
83.01347	1.0
85.02468	1.4
85.02960	18.2
87.00888	1.5
89.02457	9.5
95.01389	8.2
98.22711	1.4
101.02461	3.2
113.02463	41.5
114.02810	1.2
118.45344	0.9
119.03495	1.8
123.04531	3.1
131.03516	3.5
132.91519	0.9
135.04547	26.8
137.59842	0.9
149.04607	2.2
151.03969	4.0
153.05571	1.2
161.04561	4.8
191.05626	2.4
192.49406	0.8
297.09668	1.2
315.10913	3.9
355.57846	0.8
422.45483	0.9
428.85168	0.9
461.16745	9.1
463.17789	0.9
591.19080	5.1
593.20905	100.0
594.21234	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	629.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99708	0.9
57.03458	2.6
59.01123	1.5
59.01383	15.5
61.72583	1.0
71.01383	17.2
78.40039	1.2
82.02985	1.0
85.02956	17.8
87.00845	2.2
89.02452	11.1
95.01395	7.2
101.02438	4.6
111.11926	1.1
113.02456	40.5
114.82849	0.9
115.63271	1.1
119.03476	1.1
123.04517	4.0
131.03500	2.4
135.04532	24.5
137.33261	1.0
151.04053	2.6
153.05556	1.3
161.04605	2.7
191.05629	2.5
264.08774	2.7
265.09119	1.8
297.09650	1.4
315.10886	3.3
461.16736	9.6
591.19641	4.9
593.20880	100.0
594.21021	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	629.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
57.03460	0.4
57.67378	0.4
59.01386	10.0
61.98819	0.4
63.83190	0.5
70.74830	0.5
70.75176	0.7
71.01387	4.2
73.02940	2.3
74.99092	1.1
78.39697	0.4
83.01401	0.7
85.02960	3.0
87.00935	0.5
89.02451	1.3
93.03485	0.7
99.00908	0.6
101.02463	3.3
103.04687	0.5
105.03449	0.9
113.02449	2.2
117.03468	1.3
118.94635	0.4
118.98100	1.2
119.03545	0.9
123.04611	0.8
125.02451	0.5
126.05669	0.4
128.90143	0.5
132.02188	1.6
133.02969	32.8
134.03461	0.6
135.04556	5.1
136.99168	1.3
155.72574	0.4
159.04541	0.5
159.63402	0.4
161.02458	100.0
162.02789	2.2
176.33623	0.4
179.03471	1.9
179.05643	0.7
204.03314	0.4
219.13852	0.8
222.20502	0.4
235.11877	4.8
274.43317	0.5
381.17624	1.1
423.19119	0.9
485.53259	0.5
540.63678	0.6
543.21063	1.4
585.21918	41.8
586.22156	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	629.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03838	0.4
53.81542	0.4
58.02962	1.2
69.45089	1.8
70.02959	0.8
71.57777	0.5
72.04545	1.0
74.02476	2.2
82.02987	6.5
83.03275	0.6
84.04559	3.4
86.02462	1.3
98.02470	2.0
98.21938	0.9
99.05661	0.7
100.04060	1.6
101.07215	4.8
109.04078	5.8
113.55682	0.6
119.05031	6.6
120.05368	1.0
127.05147	33.3
128.03561	4.1
136.07654	0.7
145.06227	0.7
169.15598	0.4
190.08739	0.6
219.11366	1.2
220.09810	0.7
221.13013	2.8
229.86577	0.6
236.47276	0.6
247.10913	8.8
248.11255	0.7
254.04440	0.5
264.08804	5.6
265.09296	5.6
265.11945	100.0
266.12210	3.6
445.33853	0.6
469.48926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.8
61.98819	1.7
67.52798	0.9
71.01385	1.8
73.02979	1.0
82.95428	1.6
85.02985	1.2
92.05073	1.4
94.06649	1.2
94.79237	1.0
95.05029	1.5
96.96053	2.0
106.06660	1.4
107.03782	1.3
110.06134	8.5
120.08200	2.1
121.05357	3.4
122.06140	23.9
130.06563	1.0
134.06155	6.7
135.04506	0.9
144.04579	4.2
145.02914	1.2
159.05688	1.3
160.06459	8.8
161.04877	3.9
162.05603	1.1
174.05565	9.5
188.03563	1.4
197.07220	1.1
203.05885	2.7
203.11989	1.7
213.10361	43.2
214.10600	1.3
215.11983	3.2
223.08873	1.8
225.10353	3.0
226.11185	3.8
237.10277	1.3
239.11940	15.4
241.13493	20.3
251.11952	4.5
260.54092	1.0
267.11563	1.4
277.09753	1.5
281.09296	1.3
283.10919	4.5
285.12482	100.0
286.12729	2.9
291.11423	2.1
293.12991	9.1
301.11963	5.8
311.10400	1.4
313.12103	1.4
328.10782	3.5
328.14426	1.9
330.16080	2.1
338.13824	1.1
340.10971	2.5
341.11725	2.3
342.12415	1.7
343.13162	6.5
344.17709	3.3
345.18390	1.6
346.19672	1.2
354.12265	1.6
354.16040	2.9
354.72665	1.1
355.13187	1.8
356.14059	9.5
357.14743	2.2
368.17822	2.8
369.14502	2.8
369.18576	1.4
370.15643	18.5
371.16455	6.1
372.17279	6.0
382.12085	2.5
383.12372	1.2
384.13602	3.1
385.17972	1.3
396.13391	1.8
397.14148	2.8
398.15152	15.0
403.15402	5.1
412.16693	12.1
413.17392	10.4
416.16559	1.4
423.33472	1.1
427.15112	1.2
457.16174	1.4
481.22394	2.4
485.25800	2.8
493.22562	5.6
509.26038	1.3
511.23447	16.4
512.24072	1.1
523.23883	5.2
535.23566	29.1
536.23950	2.5
538.22333	1.1
553.24603	74.7
554.24994	6.6
556.23090	3.7
567.22845	1.7
579.22754	8.9
585.28156	1.5
597.23584	86.7
598.24054	7.1
603.65790	1.2
611.25073	4.5
629.26105	28.1
630.26532	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	22.8
73.02929	5.7
75.00877	80.0
85.55954	3.5
99.00876	19.8
99.92597	12.3
116.03542	4.0
116.92865	100.0
116.97289	6.5
117.01951	38.7
117.05585	9.0
137.61304	3.1
261.66599	3.0
505.25531	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	631.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.2
61.98825	7.4
71.01369	5.2
71.38671	1.9
85.02940	6.1
86.74022	2.7
94.06616	2.2
101.02453	4.3
107.03783	4.2
118.44347	2.1
120.08231	27.0
121.64357	2.3
122.06134	47.6
133.02965	2.7
135.04565	2.9
156.04497	2.1
156.48392	2.4
161.02452	4.7
171.10265	2.9
174.05585	4.4
214.62390	2.3
221.88876	2.5
236.09599	4.9
237.10510	4.8
239.08174	2.2
249.10300	2.4
250.11093	3.4
251.11943	28.6
251.16458	3.9
263.08237	4.1
264.09131	5.0
265.09711	3.5
265.13364	7.9
266.10394	2.8
277.09741	15.2
278.10587	28.7
279.11349	5.3
285.12521	2.9
291.11417	13.5
292.12216	18.2
293.12976	37.2
319.10764	2.8
324.11075	3.7
335.10291	5.9
336.11276	5.9
337.12021	10.4
360.17172	4.9
369.14941	4.1
372.17117	9.8
373.17764	3.8
374.18903	4.5
383.85059	2.4
386.14935	2.9
390.18185	8.0
402.18353	2.5
406.17093	2.8
414.18225	8.8
418.17770	10.0
428.41025	2.7
432.19342	7.9
436.18692	9.3
459.18143	3.8
460.18527	3.6
476.18234	14.5
477.19040	8.7
478.19492	4.4
490.20084	2.5
508.21066	27.8
509.21631	12.0
513.25470	3.5
525.25092	3.5
537.25549	10.4
555.26031	11.1
581.23712	7.3
599.16602	1.9
599.25159	41.5
613.27142	4.1
631.27802	100.0
632.27954	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	631.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69809	0.8
58.73280	0.8
59.01377	3.9
69.19756	5.2
71.01392	1.8
85.02967	2.6
87.04525	2.1
94.06626	1.4
95.05005	2.1
101.02444	2.0
107.03792	4.5
110.06133	10.6
115.00365	2.1
120.08203	26.0
121.05336	2.4
122.06135	78.9
123.06512	1.1
133.01396	1.1
134.06104	2.7
136.07678	2.6
137.04922	0.9
144.04553	3.2
146.06075	1.5
160.04019	2.9
161.02443	1.9
161.04797	1.6
162.05646	1.2
164.07167	3.0
173.04897	1.1
174.05612	8.7
179.03497	1.6
197.04631	1.1
200.07214	1.6
203.05887	3.8
203.11922	1.0
209.10942	0.9
210.11937	0.8
215.11911	1.1
222.08041	1.5
223.08804	3.5
224.09457	0.9
225.13945	1.5
232.94382	0.9
233.10904	0.9
236.09578	10.7
237.10399	9.7
238.11032	2.0
239.08183	1.2
239.11949	3.2
241.13464	2.9
243.15181	1.0
247.12361	0.9
249.10382	3.7
249.13972	2.9
250.07426	1.5
250.11086	8.2
251.08223	1.6
251.11908	47.5
252.12595	6.3
253.09821	1.9
253.13385	2.0
262.11194	1.3
263.08289	5.7
263.11813	4.7
264.09021	6.2
265.09836	3.7
265.13425	7.6
266.10614	5.2
267.07553	1.4
267.11288	1.2
268.08551	1.4
269.17581	2.4
275.11685	1.3
276.09052	3.5
277.09836	18.2
278.10629	21.7
279.11340	6.7
280.12006	1.3
281.09192	2.1
282.10226	3.0
282.80685	1.0
283.10831	3.1
284.11624	1.9
285.12592	1.4
287.14087	2.3
291.11438	20.3
292.12198	27.4
293.12970	35.7
294.13632	2.5
295.10944	2.7
295.14334	1.2
296.11679	3.9
301.11966	1.8
306.53043	0.9
309.12302	1.1
311.10370	1.3
312.11176	1.4
313.11884	1.9
319.10925	1.8
324.11200	5.5
325.12000	1.7
325.15610	3.5
332.14075	1.2
335.10370	5.5
336.11118	6.4
337.11981	12.1
341.10229	1.2
343.13184	2.3
344.14038	2.6
345.15005	2.1
346.15366	1.8
353.10281	2.0
358.15631	2.0
359.16327	1.6
360.17178	8.5
361.17816	1.3
362.18726	2.0
369.14581	2.8
370.19595	2.1
371.16333	1.2
372.12646	1.4
372.17197	19.6
373.17862	5.0
374.18744	9.9
386.15021	2.0
388.20624	1.6
390.18234	16.2
391.18839	2.4
392.19626	2.3
400.16574	4.6
401.17331	1.3
402.18341	5.6
403.19257	1.1
404.16138	2.3
405.16949	1.8
406.17703	5.1
414.18289	15.4
415.19122	4.6
418.17773	16.9
419.18497	1.3
432.19293	16.9
433.19864	2.5
434.17200	1.0
436.18790	18.9
447.17941	1.6
457.26581	0.9
458.17377	5.4
459.18030	4.1
464.22235	1.7
476.18314	18.9
477.18970	11.0
478.19855	6.4
481.25449	1.2
483.24176	1.9
490.19839	6.4
493.25839	1.4
495.24402	6.6
496.20898	1.3
508.20926	39.6
509.21649	9.6
510.21414	1.1
511.27332	1.7
513.25146	8.7
515.28674	2.8
525.25232	2.0
537.25055	12.3
555.26129	18.9
557.23883	1.8
558.24719	3.9
569.25024	2.7
581.24030	12.0
599.25171	54.8
600.25739	3.0
601.26300	4.3
613.26727	16.8
614.27704	1.2
631.27771	100.0
632.27905	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	631.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.2
61.98825	7.4
71.01369	5.2
71.38671	1.9
85.02940	6.1
86.74022	2.7
94.06616	2.2
101.02453	4.3
107.03783	4.2
118.44347	2.1
120.08231	27.0
121.64357	2.3
122.06134	47.6
133.02965	2.7
135.04565	2.9
156.04497	2.1
156.48392	2.4
161.02452	4.7
171.10265	2.9
174.05585	4.4
214.62390	2.3
221.88876	2.5
236.09599	4.9
237.10510	4.8
239.08174	2.2
249.10300	2.4
250.11093	3.4
251.11943	28.6
251.16458	3.9
263.08237	4.1
264.09131	5.0
265.09711	3.5
265.13364	7.9
266.10394	2.8
277.09741	15.2
278.10587	28.7
279.11349	5.3
285.12521	2.9
291.11417	13.5
292.12216	18.2
293.12976	37.2
319.10764	2.8
324.11075	3.7
335.10291	5.9
336.11276	5.9
337.12021	10.4
360.17172	4.9
369.14941	4.1
372.17117	9.8
373.17764	3.8
374.18903	4.5
383.85059	2.4
386.14935	2.9
390.18185	8.0
402.18353	2.5
406.17093	2.8
414.18225	8.8
418.17770	10.0
428.41025	2.7
432.19342	7.9
436.18692	9.3
459.18143	3.8
460.18527	3.6
476.18234	14.5
477.19040	8.7
478.19492	4.4
490.20084	2.5
508.21066	27.8
509.21631	12.0
513.25470	3.5
525.25092	3.5
537.25549	10.4
555.26031	11.1
581.23712	7.3
599.16602	1.9
599.25159	41.5
613.27142	4.1
631.27802	100.0
632.27954	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	631.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.7
59.39867	1.4
61.62561	1.2
65.21936	1.3
67.03018	4.6
69.66495	4.9
71.01373	4.3
73.02962	1.7
73.04065	4.5
75.40010	1.3
80.96237	1.4
84.00917	5.5
85.02986	3.5
85.60685	1.2
87.05611	2.1
89.02442	4.4
91.05551	3.2
93.03448	4.5
95.02505	1.5
96.96027	2.5
98.22643	1.7
99.02016	9.9
101.02437	2.9
109.02828	1.3
109.04098	3.2
110.02473	8.2
113.02465	2.6
113.03592	8.3
113.07221	66.0
114.05586	3.0
116.05080	12.1
118.06616	2.2
118.98115	2.7
119.05024	11.0
120.99653	2.0
121.02865	1.5
123.05685	1.3
125.03537	2.3
125.07178	2.9
126.06776	1.3
127.05173	5.5
133.02948	2.3
133.66844	1.5
134.06204	1.5
135.04564	2.8
135.05655	6.3
139.05170	3.0
139.08795	1.6
142.06631	3.1
145.02930	2.2
146.06134	5.4
151.05142	4.5
152.08333	12.8
153.06720	26.6
161.02481	2.7
162.05692	2.1
163.03990	1.7
167.04640	1.8
167.08318	7.7
170.09372	71.1
172.07632	4.1
180.11452	13.1
184.10919	17.6
185.07182	1.8
186.05652	13.3
190.04985	2.3
193.05048	1.3
200.10832	1.6
203.08368	1.5
206.09300	1.7
209.08147	1.6
209.10448	3.4
216.06781	2.6
223.12083	3.9
224.10446	10.0
225.09154	3.3
227.11606	2.6
233.11496	1.9
241.12973	2.0
243.11574	7.1
256.14584	12.6
259.10843	4.1
260.14081	3.6
264.87375	1.3
281.12567	2.8
295.17743	2.3
299.15137	1.4
300.13550	6.3
305.70328	1.3
320.17294	22.5
324.16724	1.9
338.18381	23.6
371.17206	2.4
396.20486	3.9
399.46021	1.4
414.21494	48.6
415.21780	3.1
444.22559	30.2
445.22748	2.0
480.22290	2.3
481.25830	1.9
525.24738	89.2
526.25116	5.8
558.97101	1.4
587.30225	3.8
631.28882	100.0
632.29260	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	633.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01550	0.4
59.01384	13.0
65.31692	0.4
69.78924	1.0
69.79274	0.8
71.01386	5.8
73.02943	3.0
83.01398	1.1
85.02957	3.7
87.00883	1.9
88.42572	0.4
89.02454	3.2
96.96017	0.8
97.02961	0.6
98.22672	0.7
99.00893	1.0
99.04475	0.6
101.02453	4.7
103.04030	0.6
107.05028	0.5
109.02920	0.6
113.02475	1.5
117.03496	1.2
119.03521	0.6
119.18798	0.4
125.02388	0.5
127.04039	0.6
131.03519	3.5
132.02202	1.9
133.02969	33.4
134.03815	3.0
135.04538	10.8
135.05521	0.8
135.24365	0.4
143.03517	1.0
149.04541	0.7
161.02457	100.0
162.02814	2.4
178.02736	0.8
179.03532	4.3
191.05627	1.8
193.05124	2.9
193.07198	7.4
207.98682	0.4
221.06602	0.5
339.12958	2.1
401.75623	0.5
443.51566	0.4
471.17157	1.3
501.16229	1.1
503.17416	0.9
531.24567	0.8
549.25549	0.8
591.26556	1.3
633.20361	64.9
634.20569	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	633.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
69.08214	2.3
71.01389	5.0
73.02944	0.7
80.91712	0.4
85.02952	3.8
87.00885	1.0
89.02453	5.5
89.03987	1.9
95.01402	0.6
97.03000	0.4
98.22710	0.8
101.02444	1.8
106.04255	0.4
113.02470	3.2
117.03493	4.0
125.02439	0.6
131.03505	3.3
132.02174	1.2
133.02971	0.9
134.03754	71.8
135.04082	1.6
137.02489	0.9
141.00453	0.5
141.01688	0.5
143.03531	1.8
149.03389	0.3
149.04575	8.1
149.06088	7.7
160.01663	4.0
161.02454	0.8
175.04053	3.0
178.02727	9.0
179.03317	0.4
191.05603	3.4
193.05072	100.0
194.05426	2.4
223.80920	0.3
233.06680	4.3
259.06113	2.8
265.07169	1.0
277.09326	0.4
297.34210	0.3
398.06528	0.3
405.24683	0.3
455.53488	0.3
534.41803	0.4
634.06897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
56.21515	3.8
59.01388	100.0
68.99874	4.5
70.47525	10.3
71.01391	69.4
73.02943	22.4
79.65788	4.0
79.88097	4.0
83.01397	11.8
85.02951	30.5
89.02451	27.2
99.00866	8.1
101.02451	41.2
112.64866	4.2
113.02453	33.6
119.03530	6.5
133.02988	6.1
143.03522	5.5
145.26103	4.4
161.04529	25.9
179.05728	4.8
221.06644	5.4
223.66269	4.4
250.92625	5.7
288.79880	4.3
305.08572	4.1
371.41705	4.5
429.21155	8.2
549.25354	40.1
591.26630	87.5
592.27057	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	635.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.7
57.03443	4.7
59.01382	100.0
60.52443	3.4
69.03474	7.8
71.01386	65.9
71.06020	3.6
72.99291	4.8
73.02959	22.5
76.00513	4.0
83.01405	16.1
85.02946	38.0
89.02440	20.8
94.63118	4.5
95.01422	8.6
97.02995	3.8
98.22733	7.2
99.00906	11.8
101.02451	60.3
113.02460	42.3
119.03513	9.5
121.58895	3.6
125.02481	4.8
126.90400	16.3
129.02025	4.6
130.95888	3.9
135.04594	4.7
142.60448	3.8
143.03519	7.2
155.29175	3.6
159.03008	8.4
161.02457	6.9
161.04579	34.8
179.03641	3.7
179.05609	10.3
185.00920	4.4
191.43011	3.8
194.86642	3.8
221.06699	7.7
268.19266	4.5
429.21423	6.9
549.25781	25.5
586.26941	4.7
591.26630	98.1
592.27148	10.5
635.22113	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	635.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97268	2.6
55.01885	3.4
59.01087	5.4
59.01383	100.0
69.58609	2.5
69.78502	7.9
71.01025	3.8
71.01391	47.2
71.30329	2.7
73.02960	23.0
76.49835	2.6
83.01385	10.3
84.13208	2.6
85.02451	3.9
85.02948	24.6
87.00911	4.0
89.02469	22.5
91.43983	2.9
95.01378	4.7
96.95982	3.9
97.02955	5.5
99.00858	7.2
101.02462	40.1
107.08898	2.6
111.00912	4.2
113.02468	30.2
119.03520	13.6
125.02425	10.2
126.05521	2.7
128.44977	2.5
131.03571	4.1
133.02954	9.1
135.04514	11.0
143.03494	12.5
159.03032	3.4
161.02467	22.4
161.04515	13.4
162.02782	4.9
179.03529	20.7
179.05591	9.6
203.05669	5.4
221.06699	6.2
288.30273	2.9
387.20306	13.0
429.21176	5.6
473.77686	2.8
531.24512	46.5
532.24872	6.9
549.25616	68.8
550.26013	6.9
552.90948	3.1
591.26764	20.0
634.83759	3.5
635.21265	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	637.142
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	0.8
71.01390	11.4
71.39909	0.7
85.02964	1.3
91.01910	5.3
93.03481	0.9
96.96010	3.2
108.02205	4.5
115.00381	6.7
123.04537	20.9
126.76452	0.7
152.01138	5.2
167.03511	100.0
168.03831	1.8
179.03506	1.5
191.05612	15.7
264.57434	0.8
283.04678	7.5
298.15662	0.8
298.90845	0.9
348.23611	0.7
353.08649	1.7
385.63889	0.9
406.90018	0.8
652.14478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1782
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
55.01856	0.9
57.03458	0.8
59.01388	7.3
59.07954	0.7
69.20664	4.4
71.01388	7.2
73.02966	1.1
75.00854	0.7
81.03474	0.7
85.02955	6.7
85.62563	0.8
86.74282	0.8
87.00877	0.9
89.02441	1.7
93.03473	1.7
95.01392	1.4
95.05029	0.9
99.00877	1.3
101.02453	2.3
108.02163	1.5
109.02965	36.2
111.56351	0.7
113.02472	5.8
121.02944	6.3
123.04539	9.8
129.01950	2.4
132.02196	1.6
133.02969	37.0
133.11047	0.8
134.03645	1.2
135.04568	6.6
137.02448	2.2
137.99591	0.7
139.04036	3.7
149.02455	7.1
150.03275	1.7
151.04041	6.2
161.02466	82.7
162.02831	2.0
165.01921	3.1
166.02733	3.5
166.64900	0.8
167.03513	22.9
175.04044	1.0
179.03513	4.9
191.01947	1.5
193.05148	1.6
207.01241	2.7
296.38281	1.0
311.07797	2.2
329.08771	10.3
460.86221	0.9
475.14606	46.9
476.15042	3.9
512.70416	1.0
521.22742	1.0
637.17792	100.0
638.18097	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	637.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19635	0.4
57.88990	0.4
59.01377	1.5
64.53419	0.4
67.20171	0.4
71.01389	15.5
72.99322	3.0
87.00887	1.2
89.02459	3.8
95.86749	0.4
101.02446	0.7
104.17974	0.4
108.77430	0.4
113.02481	0.9
115.00385	42.6
116.00719	0.6
132.03026	2.2
133.01445	100.0
134.01772	0.8
155.45276	0.4
179.05623	1.2
221.06708	1.1
491.06253	0.5
503.16223	4.9
504.16403	0.6
539.13678	2.5
577.09882	0.6
581.83234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16617	0.2
57.03453	1.4
59.01385	9.4
69.51686	0.4
69.52088	0.9
71.01389	12.4
72.99305	0.3
73.02945	0.9
83.01376	0.6
84.99405	0.2
85.02956	12.3
87.00889	0.5
89.02451	4.8
89.03948	0.5
95.01397	5.3
97.02956	0.3
99.00890	0.4
101.02453	2.7
103.04003	0.3
105.12105	0.2
107.05095	0.4
113.02462	26.9
114.02834	0.3
117.03488	1.3
119.03515	0.9
123.04539	8.2
132.02184	17.0
133.02991	2.5
134.03760	19.1
135.04544	21.5
136.04852	0.3
137.21547	0.3
143.03534	1.0
149.06097	2.7
153.05589	9.7
160.01672	80.5
161.02469	15.8
161.04597	1.1
162.02759	0.4
175.04018	100.0
176.04355	2.8
178.02765	1.6
179.03502	0.8
193.05074	18.3
194.05420	0.6
211.06125	0.8
265.07169	0.9
293.10095	0.3
297.09833	0.8
315.10910	3.1
337.09302	0.5
382.49377	0.3
443.15564	2.5
461.16687	44.7
462.17160	2.6
475.18347	0.4
491.15427	0.8
637.21429	67.4
638.21759	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	637.2144
Annotation	Leucosceptoside A
Peak:m/z	Relative Intensity
57.03445	2.0
59.01385	13.7
62.25434	0.6
71.01390	16.4
73.02950	1.4
82.77726	0.6
84.03645	0.6
85.02955	16.3
89.02444	6.2
95.01399	5.1
101.02450	2.8
113.02459	28.4
117.03469	1.8
119.03550	1.6
123.04546	8.8
132.02182	24.7
133.02979	13.2
134.03757	24.0
135.04543	23.7
143.03510	1.1
149.06105	2.8
153.05595	10.3
160.01674	92.4
161.02469	45.2
161.04570	1.6
162.02887	0.8
175.04016	100.0
176.04361	3.7
178.02707	1.4
179.03505	1.1
193.05081	20.0
194.05432	1.1
211.06178	1.2
252.17322	0.7
261.92999	0.7
265.06958	0.8
315.10812	2.6
443.15601	2.7
461.16681	46.3
462.16965	2.9
475.17725	0.7
491.15637	1.1
637.21423	75.4
638.21765	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	637.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06501	0.3
55.01863	0.4
57.03447	1.4
59.01082	0.8
59.01383	12.8
62.50170	0.4
65.00291	0.3
71.01390	14.5
73.02934	1.3
75.19559	0.3
83.01369	0.8
85.02957	14.0
87.00896	0.5
89.01934	0.6
89.02450	5.6
89.03957	0.5
89.38987	0.3
95.01401	5.5
98.22700	0.8
101.02446	2.8
103.04033	0.7
107.05090	0.6
113.02459	30.0
117.03464	1.8
119.03497	1.5
119.05088	0.4
123.04539	8.9
125.02457	0.5
132.02182	24.3
133.02974	13.0
134.03754	21.7
135.04546	23.2
135.05367	0.3
139.04015	0.4
143.03503	1.5
149.06128	2.4
153.05591	10.1
155.48770	0.3
160.01671	90.7
161.02460	43.3
161.04604	1.6
162.02829	0.7
175.04015	100.0
176.04317	1.9
178.02676	2.1
179.03534	1.5
193.05074	18.1
211.06134	0.9
265.07089	0.8
296.28357	0.4
297.09720	0.9
303.64603	0.3
315.10843	3.6
347.80347	0.3
443.15567	2.8
461.16693	47.3
462.17221	2.0
475.18201	1.0
491.15582	1.4
637.21417	77.5
638.21570	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	637.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69773	0.8
56.30134	0.8
57.03447	1.4
59.01385	56.3
67.01878	0.7
69.03445	1.6
71.01392	39.7
72.99290	1.4
73.02960	4.2
81.03457	2.0
83.01379	2.7
85.02959	11.5
87.00872	3.4
89.02454	35.0
94.01826	0.7
95.01378	3.2
97.02968	4.5
99.00845	0.9
100.23297	0.7
101.02449	20.0
109.02963	0.9
113.02459	22.7
114.93363	0.7
119.03525	12.6
124.01679	0.9
125.02461	13.4
127.03985	0.9
131.03506	3.0
134.03764	4.1
137.06084	1.3
139.04062	1.3
143.03491	2.7
149.06064	1.6
152.04762	1.2
161.02533	1.2
161.04578	5.1
167.07127	1.1
168.44093	0.9
179.05630	14.7
221.06627	2.5
241.07736	0.8
274.41208	0.8
332.96881	0.9
455.85016	0.9
473.16702	3.8
475.18454	5.0
491.17902	7.4
637.23541	100.0
638.23969	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	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41111	0.8
57.03425	1.2
59.01374	3.2
63.81530	0.9
67.26788	1.0
69.19410	5.0
73.02959	1.4
85.02949	3.8
89.02472	1.2
95.01385	2.3
98.22643	2.0
101.02443	1.8
105.40540	0.9
116.92873	3.4
116.98776	0.9
121.02982	3.0
123.00896	13.2
124.01674	35.4
125.02448	16.6
135.04521	1.0
135.92453	0.9
149.02441	12.8
149.99594	51.0
151.00151	0.9
161.02448	1.3
163.04002	1.0
164.04813	6.3
168.00650	96.3
169.01425	5.0
179.03552	2.1
190.02762	1.4
191.01892	1.0
191.67218	1.0
194.88429	0.9
208.03746	1.3
223.06065	3.6
239.05498	1.6
283.04675	1.0
301.05698	2.6
415.08926	3.2
418.29266	1.0
433.09732	4.4
607.12659	1.5
639.15686	100.0
640.16431	5.5
658.86462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20679	1.0
59.01384	15.8
61.98829	4.9
67.01945	1.2
69.03465	1.4
69.42088	3.5
71.01385	23.8
73.02962	2.9
83.01315	1.5
85.02950	10.7
89.02442	6.7
96.96017	33.0
97.02928	1.4
98.22659	2.5
99.00876	1.8
99.04479	2.0
101.02438	5.1
109.02924	1.7
109.83640	1.2
113.02452	3.1
114.09351	1.2
115.00378	22.1
117.03526	1.5
119.03576	2.0
121.03005	1.5
132.02104	1.3
133.01462	2.8
133.02965	18.9
134.03725	4.3
135.04543	51.8
137.09734	5.8
147.03011	1.5
149.02493	2.3
149.06068	6.9
155.10785	21.4
161.02461	100.0
162.02811	1.7
163.12949	1.2
164.04709	1.5
169.22432	1.4
176.43030	1.4
177.05602	13.3
178.02672	1.4
179.03520	59.2
179.05159	2.8
186.70964	1.2
191.01982	1.4
193.05008	1.4
198.81554	1.2
199.09789	20.9
203.03636	2.5
221.04575	18.5
223.06151	1.9
233.04567	1.7
235.13338	1.6
251.05600	15.5
251.07964	2.0
263.05582	1.6
281.06653	23.0
311.13574	1.3
323.07748	53.3
324.07953	3.0
341.08780	31.6
342.09048	1.9
348.78201	1.4
361.15155	8.7
459.27481	3.5
492.17703	3.5
494.86685	1.3
523.18225	80.9
524.19244	9.8
553.23053	3.4
595.24353	7.4
639.21899	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.194
Annotation	Suspensaside
Peak:m/z	Relative Intensity
57.03457	0.7
59.01394	3.1
62.09959	0.4
71.01390	4.2
73.02931	0.8
77.04005	0.4
85.02964	6.0
89.02460	1.0
93.03475	0.5
95.01393	1.9
95.05042	0.6
101.02426	0.6
105.03487	1.2
108.02168	0.8
109.02963	2.9
113.02458	9.3
117.03468	1.2
118.05800	0.4
122.03764	1.2
123.04539	11.7
132.02191	2.6
133.02968	40.3
134.03694	1.4
135.04539	23.3
136.04875	0.6
149.02446	0.7
150.03236	6.4
151.03036	0.6
151.04021	21.3
161.02460	100.0
162.02782	2.9
179.03514	36.8
180.03847	0.6
203.03537	0.7
251.05647	0.6
275.88416	0.5
325.09229	0.6
336.33627	0.5
407.08344	0.4
453.19083	0.5
459.15173	5.2
477.16113	3.0
487.14777	3.3
529.15692	4.8
621.18225	24.5
622.18665	1.8
639.19354	33.4
640.19830	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	639.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55749	0.5
54.32553	0.6
57.03446	1.0
59.01389	5.6
61.98837	4.8
69.13636	3.4
71.01385	18.4
73.02959	3.4
83.01397	1.3
85.02969	4.5
89.02454	1.2
95.01351	0.7
96.96052	0.9
101.02458	6.1
113.02461	2.1
114.08038	0.5
115.00388	15.6
117.03484	1.7
129.01945	0.6
132.02182	8.5
132.24825	0.5
133.02988	4.7
134.03761	16.0
135.04527	2.3
145.02992	1.1
149.06107	1.6
157.89841	0.5
160.01678	52.8
161.02467	16.0
161.11293	0.5
169.54454	0.5
175.04022	73.4
176.04391	1.9
178.02779	1.2
179.03481	1.0
185.11865	0.6
192.32460	0.5
193.05072	8.5
197.21928	0.5
203.28075	0.5
260.57590	0.6
269.04590	6.0
309.13831	0.5
329.16028	0.7
347.12958	1.2
347.17136	22.1
459.27570	0.7
479.23184	0.7
491.19876	0.6
523.21875	100.0
524.22211	7.4
577.13763	3.3
639.22955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16444	1.4
58.84724	1.4
61.98836	14.8
70.97184	3.3
78.95932	4.2
95.23837	1.6
102.37968	1.5
102.43368	1.7
106.06645	6.7
108.04557	2.5
113.55237	1.7
118.96971	3.5
119.94725	9.8
126.48859	1.6
134.06145	2.5
160.04044	14.3
170.89401	4.2
188.03566	1.8
189.04398	3.9
202.04999	1.8
218.04608	2.7
226.11107	7.3
238.07552	1.8
239.08359	3.5
241.13463	12.7
241.23624	1.7
244.29698	1.8
249.10378	3.5
250.07477	2.5
251.08098	8.0
251.11938	3.7
252.09058	20.1
253.09808	15.1
263.08252	5.2
265.09811	6.5
267.11383	8.9
277.09885	7.2
278.07007	6.9
279.07748	25.6
279.23318	1.7
280.08310	3.3
293.09326	13.6
295.10886	35.4
318.96765	5.5
321.08823	78.3
322.09348	2.2
339.09872	100.0
340.10242	5.9
371.12634	4.9
420.19324	2.2
589.20941	4.3
607.21991	95.8
608.22754	7.5
639.25598	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	639.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03458	2.2
59.01384	100.0
61.98815	1.2
69.03448	1.7
70.63840	1.9
71.01385	30.5
73.02953	17.1
74.63171	0.8
80.42249	0.9
81.03468	1.0
83.01390	8.6
85.02954	18.0
87.00899	2.7
89.02450	4.0
95.01390	3.3
95.18243	0.8
97.02959	4.3
98.42291	1.0
99.00889	6.2
101.02442	26.6
111.00908	1.6
113.02462	16.2
125.02443	6.4
135.04448	1.1
143.03526	4.4
155.03502	1.2
159.03003	2.9
161.04565	11.4
175.38724	0.9
203.05719	1.5
243.79593	1.1
305.19656	10.7
347.20749	3.8
449.23947	19.8
467.24948	16.8
468.25021	0.9
491.25250	6.2
509.26047	57.2
510.26346	4.1
543.94739	1.1
551.27161	10.8
595.36310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01383	100.0
60.83876	0.6
61.98841	1.6
69.05533	3.6
71.01392	6.0
73.02963	2.2
83.01395	0.7
85.02954	2.8
89.02454	1.2
95.01337	0.6
95.05064	0.6
96.96012	3.8
98.21874	1.3
99.04543	0.8
101.02448	3.1
113.02488	2.1
119.03572	0.8
133.01520	0.7
136.05238	0.8
151.07726	1.6
153.79391	0.5
161.04630	1.0
192.38095	0.6
209.11964	0.8
241.60800	0.6
278.69058	0.6
292.62082	0.6
331.19312	1.0
341.10345	2.0
349.20557	0.6
475.23495	0.8
493.24292	6.2
503.15695	0.9
511.25818	1.0
517.24634	1.3
524.20660	0.9
535.25458	2.7
553.26624	8.6
556.29608	0.7
611.66278	0.7
639.34937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70594	0.7
57.84206	0.7
59.01383	100.0
61.98846	0.9
69.03473	1.2
69.21130	3.8
71.01385	7.5
73.02954	14.5
83.01401	3.4
83.37605	0.7
84.51922	0.7
85.02966	0.8
89.02483	1.6
96.96014	0.7
101.02457	11.5
113.02489	3.0
119.03519	0.9
122.86028	0.9
125.02417	1.1
131.03523	1.2
143.03580	0.9
161.02489	0.9
161.04683	2.8
278.16489	0.7
313.18295	0.9
424.25848	1.2
440.20282	0.9
454.22470	2.0
475.23865	1.0
486.21365	0.8
493.24719	1.5
506.22116	1.6
517.24481	0.9
523.22028	3.5
535.25397	7.1
595.35095	1.2
639.37421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64303	1.0
52.54865	1.1
55.01878	2.6
57.03448	2.6
59.01385	31.8
62.48775	1.2
65.03978	1.2
69.35075	4.0
69.35477	2.3
71.01387	24.9
72.30129	1.2
72.99287	1.8
73.02944	6.1
75.59769	1.0
80.62463	1.2
81.03423	1.3
83.01382	3.0
83.05037	7.2
85.02954	7.3
85.06599	1.8
87.00874	7.7
89.01939	1.7
89.02442	14.5
91.04003	1.2
92.63762	1.1
95.01387	2.4
95.05025	1.7
97.02939	2.7
97.06583	5.1
99.74213	1.2
101.02454	16.3
107.05016	1.3
109.06588	3.4
111.04549	2.0
111.08154	7.5
113.02472	9.8
119.03485	3.4
119.05022	2.0
119.08658	1.3
121.06679	1.5
123.08199	2.5
125.02435	1.3
125.09744	10.6
125.67917	1.1
127.11270	1.8
129.34784	1.1
135.08157	1.8
137.09711	3.1
143.03506	1.4
145.05038	4.5
151.11313	1.7
161.04535	4.7
171.10280	72.1
179.05728	2.3
187.14972	3.0
201.12926	1.5
205.15968	5.2
209.11827	10.8
211.13385	16.8
213.14915	1.4
215.14455	7.8
221.15485	4.2
231.13866	6.8
233.15498	40.9
235.08266	10.5
235.13445	2.3
237.15039	1.6
249.14978	51.7
250.15398	2.9
251.16493	2.0
253.09248	6.3
313.25333	2.3
331.26416	3.5
341.24908	7.8
357.24353	1.4
359.25952	2.6
367.22791	3.8
375.25397	4.3
377.27057	1.9
385.23920	32.1
386.24109	2.3
393.26514	2.1
397.68610	1.2
403.24905	57.4
404.25058	2.8
407.19110	2.3
421.25995	18.0
485.23788	6.7
495.29684	2.3
611.34576	4.8
621.32849	100.0
622.33130	5.6
639.33893	72.0
640.33960	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03437	4.1
59.01382	32.1
65.03957	1.4
71.01387	25.2
72.18968	1.0
72.85545	1.0
72.99321	1.2
73.02943	5.7
76.91485	1.0
81.03460	2.8
83.01389	4.0
83.05037	9.7
85.02961	7.6
85.06580	1.9
86.00128	1.3
87.00880	7.2
89.02453	12.4
91.04015	1.0
91.05517	2.7
93.03451	1.2
95.01413	2.1
95.04994	1.4
97.02979	1.3
97.06598	3.8
99.00883	1.8
101.02452	16.3
105.07104	1.6
109.06592	2.8
111.04562	2.1
111.08141	6.2
113.02441	9.6
119.03529	1.4
119.93018	1.2
121.02927	1.3
123.08173	2.2
125.09721	16.2
133.05180	1.5
134.39240	1.0
135.08144	2.3
137.09740	3.0
145.05086	6.1
151.11290	1.3
161.04544	5.5
171.10280	79.2
179.05580	1.9
183.13861	2.0
185.11722	2.1
187.14966	2.4
197.13333	1.1
205.15923	5.6
207.13843	2.7
209.11852	12.8
211.13420	14.8
213.15051	1.2
215.14429	12.2
221.15497	4.5
231.13985	6.6
233.15468	35.8
235.08237	13.6
235.13318	2.0
239.16643	2.0
247.13332	1.8
247.17085	1.5
249.14961	41.8
250.15266	1.3
251.16524	2.7
251.74149	0.9
253.09326	5.4
263.16495	1.0
265.18033	1.2
273.15140	1.2
296.62979	1.0
313.25385	1.3
323.23785	1.5
331.26285	3.0
341.24829	6.7
357.24319	1.4
359.25873	4.1
367.22580	7.1
375.25482	7.2
377.27063	1.4
385.23828	30.0
386.24255	2.0
393.26242	1.9
403.24884	59.1
404.25171	3.2
407.19086	2.2
421.25891	20.2
446.75308	1.5
459.27524	2.0
467.22757	1.2
477.28702	1.9
485.23889	5.5
611.34680	4.1
621.32806	100.0
622.33179	8.6
639.33875	73.9
640.34509	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	641.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67415	0.7
52.90589	0.6
59.01385	2.7
61.98838	4.5
68.84129	0.6
70.70593	1.1
71.01393	2.0
78.01116	1.5
81.98434	0.7
85.02943	1.1
89.00337	3.4
91.01926	0.9
95.01389	1.2
96.96046	0.9
97.02967	0.7
99.00878	1.2
106.00643	3.3
113.02473	1.8
116.92878	1.0
117.03480	22.9
119.05063	0.8
121.02969	45.9
122.03307	0.9
123.00904	6.6
126.24795	0.9
127.00407	1.2
138.03252	5.2
139.03964	0.8
145.02968	100.0
146.03305	2.5
149.02448	2.5
153.05586	33.7
154.06006	0.7
159.16888	0.7
161.02414	0.8
163.03938	0.9
164.04787	2.4
166.99825	5.6
182.02220	15.9
192.03496	0.7
197.04559	96.4
198.04884	2.2
206.92014	0.7
223.06078	4.5
225.11438	0.7
234.09149	0.7
297.06180	11.8
315.07306	4.4
360.79105	0.7
361.73926	0.9
479.33698	1.5
493.18140	1.5
495.11087	2.3
525.20953	1.1
648.88922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	2.3
59.01383	35.9
71.01386	16.5
71.05022	2.2
80.63281	1.4
85.02962	4.6
85.51279	1.1
89.02446	17.4
99.04532	10.1
101.02454	11.1
113.02446	6.4
115.07636	1.4
116.07198	2.2
116.92854	2.0
117.05595	14.1
119.03500	8.2
124.51668	1.4
146.08281	1.3
179.05661	1.6
279.10870	100.0
279.13510	7.0
280.11243	3.0
379.52530	1.3
484.30283	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	641.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19825	0.7
55.48338	0.9
59.01383	17.8
68.31909	0.9
69.29652	5.0
69.64436	0.8
71.01388	7.4
71.05009	1.6
73.02962	2.1
76.26539	0.8
85.02949	5.6
87.00865	1.6
88.24729	0.9
89.02448	5.5
91.17946	0.8
95.01380	1.1
97.02950	3.7
97.06590	1.4
98.21893	1.7
99.00886	15.1
101.02464	5.7
103.01506	1.3
109.06599	1.0
113.02439	3.5
115.00351	1.0
119.03526	0.9
122.06153	1.0
125.09743	3.5
137.19684	0.9
139.11314	2.1
139.18428	0.8
141.01794	0.8
152.01181	1.9
155.14493	0.9
161.04503	1.2
163.11269	6.0
167.03595	1.5
171.10277	1.1
179.05586	1.3
181.12363	14.6
181.46883	0.9
191.02029	1.5
197.04568	2.5
199.13409	9.1
201.11380	4.9
207.10275	23.4
225.11336	41.1
226.11624	1.6
243.12405	22.7
297.05975	1.0
415.14587	2.3
479.11996	3.7
641.26678	100.0
642.27014	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	641.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28949	0.9
57.03437	2.0
59.01122	1.3
59.01384	14.9
71.01379	9.4
71.05031	1.2
71.39940	1.0
73.02938	2.1
83.01391	2.0
85.02946	8.6
87.00868	1.0
88.98803	1.1
89.02438	5.5
93.03453	1.1
95.01360	1.2
96.95995	1.8
97.02958	3.8
97.06625	1.4
99.00890	14.5
101.02447	7.0
105.72131	0.9
106.15545	0.9
113.02488	4.9
119.03493	1.8
123.08157	1.0
125.02470	1.2
125.09710	4.0
128.03543	1.1
129.72365	1.0
131.03529	1.1
137.02423	1.1
147.03081	1.3
149.04552	1.0
161.02434	1.9
163.11307	5.4
181.12340	12.3
191.01941	3.4
199.13409	9.0
207.10268	22.7
225.11331	37.8
243.12375	24.7
257.13467	1.1
347.17276	1.5
397.13815	1.0
415.14410	1.4
555.23132	2.4
641.26648	100.0
642.26520	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	641.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24873	0.5
59.01387	4.2
61.98828	1.4
69.03448	0.6
69.91315	0.5
70.83990	0.8
70.84336	0.8
71.01409	2.8
83.01393	0.8
89.02461	1.8
97.06601	0.7
101.02443	1.7
107.88567	0.6
113.02483	1.1
121.05450	0.6
122.74789	0.5
136.07671	1.7
153.49487	0.6
161.04607	0.9
167.14357	0.7
183.13914	5.9
193.12465	1.7
211.13408	100.0
212.13751	3.4
231.17830	0.7
235.08249	2.0
253.09329	4.4
321.83203	0.6
325.25302	2.0
343.26367	0.9
369.24216	1.5
387.25378	2.7
387.30933	0.6
388.26376	0.8
405.22214	0.8
405.26553	6.5
406.26773	0.7
447.22479	4.7
519.23853	0.6
545.15466	0.8
547.23474	1.7
554.78021	0.6
569.56665	0.7
579.61121	0.7
591.22571	1.1
609.23383	1.4
623.24725	0.8
623.34583	1.1
641.25183	1.5
641.35449	21.8
642.35773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98842	0.3
69.03442	0.4
69.05202	0.6
69.05601	1.4
70.30779	0.3
71.01392	1.1
73.02946	0.4
81.19561	0.2
82.77079	0.2
85.02962	0.5
89.02448	1.4
96.96011	0.4
98.22652	0.5
101.02469	1.2
113.02468	0.9
132.97235	0.2
145.05138	0.3
155.10732	0.4
161.04582	0.5
162.45436	0.2
162.65627	0.2
165.12869	0.3
167.10759	0.3
167.14417	0.5
183.13908	6.3
184.14304	0.3
193.12360	1.7
195.15341	0.2
211.13405	100.0
212.13762	3.6
221.15607	0.3
235.08331	1.2
248.17091	0.3
253.09297	4.4
321.93784	0.2
343.35794	0.3
386.50122	0.3
387.25281	0.6
429.21347	0.4
447.22403	4.8
448.23236	0.3
565.23962	0.4
623.34204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
61.98835	0.5
69.03462	0.6
70.96645	0.4
71.01386	1.7
73.02946	0.4
74.85353	0.2
83.01381	0.3
83.05050	0.5
85.02957	0.3
87.00871	0.5
89.02431	1.0
97.02971	0.3
101.02452	1.6
113.02448	0.9
118.28683	0.2
119.03509	0.4
137.09760	0.2
138.97270	0.2
161.04555	0.4
165.12912	0.2
167.14398	0.6
179.05608	0.2
183.13911	6.3
193.12369	1.8
210.84377	0.2
211.13416	100.0
212.13742	3.2
235.08287	1.7
253.09322	4.1
268.36682	0.2
309.20599	0.6
331.15192	0.4
387.25394	0.5
396.13632	0.7
404.39502	0.3
405.26614	0.4
429.21146	0.7
447.22302	5.6
623.25452	0.4
623.34491	0.9
641.26117	1.0
641.35364	0.4
643.20850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07550	31.6
70.13099	100.0
77.78402	38.4
98.21963	39.0
109.35322	33.3
112.19558	31.0
118.75570	32.4
156.22630	36.7
353.17484	38.3
435.33340	38.0
644.08521	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.8
57.03445	6.8
59.01387	46.7
60.43578	2.1
61.98819	6.2
65.00311	2.2
65.56484	2.1
67.01873	2.5
71.01393	22.3
72.99300	8.2
73.02946	9.0
74.26975	1.9
75.43728	2.3
83.01400	23.5
85.02962	78.8
87.00903	2.5
88.98810	5.5
89.02460	10.4
91.01907	12.6
95.01382	3.9
96.96004	6.2
101.02438	11.4
106.00595	3.6
108.02197	23.7
111.00896	41.3
113.02438	14.2
115.05620	3.0
119.03555	3.8
121.02975	97.7
123.00880	9.7
123.04536	38.3
124.01569	2.4
125.02472	3.6
129.01982	15.7
131.05026	8.2
133.02971	6.5
133.06616	35.5
133.07562	4.1
134.03789	4.4
135.04523	4.8
136.01689	3.5
138.03287	2.5
143.04999	6.3
152.01163	33.9
153.05618	14.6
158.03755	3.1
159.04533	7.6
161.02478	5.4
161.04727	4.0
161.06071	45.9
166.99886	3.7
167.03519	100.0
173.00807	2.8
175.04027	3.2
179.03456	2.4
182.02243	15.5
189.05594	32.3
192.04311	4.1
193.04924	3.3
197.04576	66.7
202.02666	2.7
207.06618	7.3
221.06454	2.8
233.04535	12.7
235.06160	25.3
251.05782	2.7
277.03519	5.9
279.05121	2.3
334.15897	2.5
465.19379	2.7
466.19916	4.1
467.20724	3.0
541.26428	8.8
601.28253	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	643.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55083	0.4
67.41904	0.5
69.79910	1.5
72.94485	0.5
73.02943	0.8
75.00864	0.6
89.32198	0.4
115.13806	0.5
437.16397	0.7
451.13980	0.5
452.11203	1.8
453.12018	1.6
455.17487	0.9
459.16821	0.9
465.15680	0.9
466.16559	0.8
467.13028	0.7
473.18503	0.6
479.17450	0.8
480.18198	1.1
481.11923	1.5
481.19388	0.8
488.17725	0.5
493.14594	0.6
495.16730	1.0
496.13522	5.6
497.14639	1.7
507.16766	1.8
508.17520	5.0
510.15649	5.1
511.16046	9.1
512.16351	3.3
513.17682	1.4
519.17273	0.5
523.19751	3.1
528.16449	0.8
538.15045	2.5
540.17346	0.5
544.16467	3.8
549.17340	0.7
553.17218	1.3
567.19086	1.8
570.17383	2.5
571.18402	7.2
572.18701	1.1
583.18597	1.7
584.19214	1.0
599.21466	0.7
600.47931	0.5
616.18591	0.6
643.20514	100.0
644.20801	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	643.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06897	1.9
73.02924	1.3
90.91960	0.8
98.22005	0.8
211.13457	0.9
235.76466	0.7
269.19812	0.7
282.70239	0.8
365.11768	0.8
416.25488	0.8
452.10861	1.6
453.11325	1.0
455.17078	1.0
467.13483	2.0
473.18628	1.0
480.17587	1.0
481.11502	2.0
488.17361	0.9
495.13095	1.1
496.13431	6.5
497.14493	1.6
507.17010	1.4
508.17502	2.7
510.15378	7.9
511.16135	13.7
512.16968	2.8
513.17554	1.0
523.20209	1.4
524.18048	0.8
538.14948	5.5
539.15332	1.1
544.18726	2.2
567.18854	3.0
570.17603	1.4
571.18256	2.2
583.18280	3.1
584.19556	0.9
616.17706	1.3
643.20538	100.0
644.20782	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	643.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	20.3
61.98848	3.2
69.60777	1.8
71.01384	11.6
73.02959	5.2
79.95766	4.1
84.08593	1.9
85.02966	8.6
89.02482	5.8
96.96018	100.0
98.03764	5.7
98.21790	4.1
99.04533	3.9
101.02458	7.6
105.94576	2.0
113.02464	8.9
115.23562	1.8
135.08189	3.7
161.02443	3.2
161.04640	3.2
161.06116	4.7
179.05685	2.3
189.12918	2.9
207.12817	2.2
221.06671	2.8
233.11855	20.2
238.99564	2.1
241.53671	1.9
245.79604	2.1
262.97366	2.2
289.70987	2.3
325.94058	2.2
377.15927	3.3
436.89136	2.2
437.18277	10.0
539.21454	2.9
557.22778	5.8
557.27045	4.6
599.24445	33.5
600.26184	2.1
643.26636	14.8
669.12250	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	643.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46418	1.1
59.01384	100.0
60.01695	1.2
65.37099	1.1
67.68068	1.1
71.01385	9.8
71.40199	1.3
73.02951	4.6
79.54431	1.0
80.51064	1.0
83.01386	3.0
85.02961	8.2
89.02445	1.9
91.79939	1.0
99.00837	1.4
101.02439	10.5
106.11926	1.1
111.83835	1.1
113.02474	5.4
122.03750	4.7
123.04404	1.3
125.02449	1.4
128.03543	4.2
129.01889	1.2
147.55212	1.1
161.02472	1.9
161.04559	4.0
173.45436	1.2
177.05692	1.5
179.03505	1.5
191.02075	1.3
218.09547	1.4
232.10954	3.0
233.11830	10.6
235.11856	20.3
249.05563	3.7
257.08426	1.5
277.13007	7.0
284.60217	1.2
288.42694	1.1
395.17358	1.3
437.18546	1.3
583.25806	1.3
643.25848	3.3
645.57990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46303	0.5
55.01879	0.5
55.34721	0.5
57.03437	0.9
59.01381	7.2
59.03317	0.5
61.98811	1.0
65.00321	1.5
69.03456	0.9
71.01389	7.5
73.02954	1.9
75.00880	0.8
78.01102	1.5
81.03461	2.6
82.00597	0.6
82.89677	0.5
83.01399	1.9
85.02955	6.5
89.00328	3.4
89.02458	2.7
91.01909	1.5
93.03456	2.1
95.01404	1.0
96.96003	1.5
97.02960	1.8
98.95606	0.6
99.00900	0.7
101.02444	2.1
106.00591	2.8
109.02950	5.6
110.00146	0.8
111.00896	1.8
112.98806	1.2
113.02405	1.2
113.78864	0.5
115.00341	0.9
120.99326	0.7
121.02968	45.6
122.00107	3.2
122.03292	1.1
123.00922	5.0
124.01599	0.8
125.02439	1.7
125.99608	1.4
127.00383	1.6
129.01944	0.8
131.03468	1.6
133.01410	0.7
133.02922	1.1
134.03720	0.7
135.04518	1.6
136.98793	1.1
137.02460	31.8
137.99586	1.7
138.03261	4.6
139.00380	2.0
139.03990	1.2
141.01941	1.1
145.02940	0.7
149.99440	0.6
153.01958	2.1
153.05589	38.7
153.99167	0.7
155.03505	8.1
156.02647	0.5
159.03021	0.6
161.02473	2.9
161.04527	0.6
168.00606	0.8
179.03557	1.5
181.01454	8.6
182.02216	3.2
191.02023	0.9
191.05595	0.7
193.05096	0.9
196.03783	5.5
197.04564	66.8
198.04816	1.2
271.69931	0.6
290.15457	0.6
318.14774	1.9
319.15469	1.0
333.17081	9.7
345.64069	0.5
349.16238	0.7
423.95090	0.6
450.57669	0.6
467.22678	1.4
511.22122	2.9
527.24847	0.8
599.27441	1.3
628.23877	1.0
643.26093	100.0
644.26361	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	643.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35567	0.5
59.01388	5.4
61.98809	0.7
71.01395	1.9
71.35149	0.5
73.02953	1.2
77.49009	0.4
79.95740	3.2
83.01376	0.8
84.28864	0.5
85.02948	1.9
89.02477	0.7
92.64439	0.4
96.96021	100.0
98.21883	1.2
101.02457	1.5
111.00878	0.5
113.02464	0.7
129.01880	0.5
161.02438	1.1
161.64565	0.5
179.03543	0.5
211.14946	0.5
229.19148	0.5
266.21515	0.5
267.35568	0.5
465.96411	0.5
503.90292	0.5
539.24530	0.7
557.26373	13.5
558.26752	1.2
599.27502	21.7
600.27612	1.6
601.28821	0.6
625.25531	2.0
643.26465	13.4
644.26929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00549	2.0
59.01363	2.0
63.02248	2.0
69.10824	13.3
73.02949	23.7
77.29327	2.0
94.06624	8.0
95.05077	2.4
96.89671	1.7
107.24081	1.9
110.06118	4.1
111.01139	1.9
111.10136	1.9
122.06113	6.0
134.06146	3.3
144.04535	7.2
161.04782	4.0
162.05565	2.9
174.05568	8.9
178.08667	2.3
197.11832	4.3
198.09254	4.0
201.10344	10.1
203.05902	8.6
209.11838	5.5
213.10268	11.7
225.10477	3.6
229.09824	2.3
235.08592	2.2
237.10381	2.4
241.09848	20.4
251.11868	5.3
262.07541	3.6
263.08179	3.3
265.09863	2.5
267.11475	2.0
277.09781	6.6
278.10474	13.4
279.11340	7.2
291.11316	3.7
297.12527	12.2
299.14026	100.0
300.14346	5.9
302.12964	2.9
307.14578	6.1
314.12927	8.7
315.13519	42.9
316.14270	2.5
318.16016	2.8
319.11032	4.2
325.12009	3.4
327.13629	2.4
328.10922	2.8
328.14459	2.7
329.15430	9.4
330.16061	8.5
339.07047	2.2
340.10867	3.8
341.11469	4.7
342.12415	4.5
342.16168	3.1
343.13089	11.4
344.14063	2.8
344.17670	14.3
351.13553	13.2
352.14410	2.4
354.12579	2.7
356.14081	14.6
357.14914	3.0
368.13995	2.6
382.11932	6.2
383.16296	36.4
384.13403	6.3
388.16443	10.0
396.13702	2.9
397.14227	3.7
398.15027	18.3
403.19049	28.5
404.19748	48.3
405.19977	2.9
411.16068	3.0
412.16498	4.9
414.14526	7.3
429.16833	2.2
430.17679	12.5
442.17636	7.0
470.17313	14.3
471.18170	11.2
502.19827	2.8
503.20288	3.8
511.23758	2.7
513.24939	10.4
525.25128	25.3
539.23096	3.8
543.26172	54.5
544.26276	3.7
551.23010	4.5
567.26190	7.0
569.24182	2.8
581.23950	19.3
593.24060	51.8
594.24573	4.7
611.25128	89.8
612.25293	9.1
613.26947	11.7
625.26593	38.0
626.26904	2.3
643.27710	83.1
644.27838	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	644.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58590	0.6
59.01380	10.5
64.01921	0.7
65.99865	3.2
67.23003	0.6
69.71326	1.9
71.01375	5.1
77.67916	0.5
82.02988	33.1
83.01382	1.9
85.02943	1.9
89.02436	3.7
96.96021	7.4
98.21950	1.2
101.02449	2.4
106.03008	3.0
113.02431	1.0
119.03481	1.1
120.00922	0.6
122.06123	5.6
123.29137	0.5
135.04604	1.1
136.04053	2.3
142.07492	0.5
146.06104	0.7
148.04028	1.3
150.01942	4.1
161.02489	1.1
164.03557	1.8
168.31003	0.6
174.09216	0.9
191.01910	0.8
194.04572	2.5
196.06255	0.7
198.05563	1.6
198.09221	0.7
199.08766	0.6
200.07144	1.0
202.08731	0.8
227.08292	1.9
228.08977	1.3
241.09816	1.9
241.13373	0.5
255.07695	2.1
255.11497	1.0
256.08481	1.4
257.09131	0.8
258.07785	1.0
265.09805	0.7
266.08203	0.9
267.07898	1.7
268.08423	3.3
269.09351	1.7
281.09476	0.6
281.12781	0.6
282.10114	2.0
283.10870	6.8
284.11679	4.4
285.12567	0.9
287.10352	1.7
293.13031	0.9
295.07162	1.6
296.08066	1.0
309.08807	1.3
310.09650	2.4
311.10382	9.9
321.12524	2.9
327.09915	1.5
328.10587	2.4
329.11475	0.8
334.12231	1.3
341.11304	2.2
342.12161	5.0
343.12997	54.9
344.13284	1.9
348.13583	0.8
349.11890	2.4
350.15121	1.3
359.12570	1.5
361.15308	0.8
362.15158	0.7
377.13931	1.0
378.14514	0.8
381.14578	8.1
389.14758	2.2
390.14536	1.2
404.16257	1.5
409.16617	0.9
417.13568	0.8
432.15628	10.8
432.21106	1.0
449.15897	1.3
450.16672	6.9
464.18268	100.0
465.18622	4.8
482.19254	1.6
558.26715	0.9
600.27936	1.3
644.25421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.7
85.02975	16.1
90.50646	9.7
94.32445	10.0
96.96024	100.0
105.69238	9.0
111.04550	11.0
191.01932	13.3
243.10504	10.1
271.02631	28.3
272.99887	10.6
300.02811	31.2
301.03650	13.4
378.13077	11.2
433.94876	10.2
609.14435	52.0
644.87634	11.7
658.23438	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	645.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06812	1.2
59.01381	10.0
70.95474	1.3
71.01382	17.6
73.02966	1.2
75.37074	1.1
85.02959	16.2
89.02449	7.6
90.84527	1.1
95.01407	7.4
101.02449	1.7
112.13770	1.3
112.89967	1.2
113.02456	38.5
119.02666	1.2
135.04538	24.8
151.04062	2.9
161.04561	3.7
228.29831	1.1
297.09741	1.5
315.10901	3.5
390.57077	1.2
459.15039	3.1
461.16684	100.0
462.16919	4.8
515.08728	1.6
591.19293	4.0
645.12677	1.4
646.11987	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	645.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75834	3.7
56.79949	3.5
69.14774	18.8
75.00878	79.4
78.95926	3.9
91.31113	3.3
98.21879	6.4
102.99742	3.4
103.00377	94.7
108.60686	3.6
132.07661	3.4
140.23647	3.6
152.99629	5.5
366.21384	4.3
441.19254	12.1
469.22531	62.2
474.19089	5.2
479.21127	7.1
482.19543	15.4
486.19165	27.1
496.17633	8.8
497.15152	5.7
497.22064	100.0
498.15411	12.6
498.22458	14.0
499.15479	5.5
499.23401	5.8
510.19257	7.2
512.16998	33.3
513.17664	14.8
514.18787	19.0
525.21466	9.4
541.20941	26.7
557.23608	5.2
569.20557	31.5
573.23206	28.5
585.20087	52.8
586.20728	32.0
601.23181	78.5
602.23230	9.6
613.19513	21.5
645.22040	88.5
646.21863	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	645.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
67.01875	0.7
69.41680	1.5
71.01369	0.7
73.02933	0.4
79.05567	0.6
84.13890	0.3
85.02943	1.2
89.02441	0.4
95.05016	0.7
101.02434	0.5
106.06663	0.3
108.04565	0.6
110.06161	0.4
111.79841	0.3
113.42105	0.3
120.04569	2.6
121.05359	2.0
122.05326	0.5
122.06134	6.1
129.01990	0.4
129.35846	0.3
133.01428	0.4
134.06183	1.8
135.04489	0.7
135.06914	0.9
136.07697	10.7
137.08095	0.3
137.46677	0.3
144.04593	1.5
149.02460	0.5
161.02443	0.8
161.07164	0.9
162.05595	0.9
166.42883	0.3
171.11818	2.4
172.07745	0.5
186.09317	0.5
189.10390	0.4
191.02094	0.3
198.09244	1.2
199.10104	1.9
203.05931	2.6
204.06845	0.5
213.06630	0.5
214.07469	0.4
214.12392	11.6
223.06129	1.4
225.06660	0.4
226.07477	0.6
227.08266	2.5
228.09033	1.1
229.09807	5.5
230.11885	3.8
239.11940	0.3
241.09816	6.9
241.12279	0.4
242.10626	17.5
243.10895	0.9
256.12048	1.0
257.12976	83.0
258.13287	3.9
283.10922	0.4
300.11087	0.5
301.11951	100.0
302.12323	3.8
313.11853	0.4
325.11890	0.7
343.12973	4.1
403.85483	0.4
485.23837	0.9
541.21271	0.4
573.24036	0.4
626.14380	0.3
645.26007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89188	1.3
54.42713	1.4
54.48233	1.4
57.95088	1.3
59.01382	3.0
61.98819	1.9
68.60428	1.5
69.27869	8.5
71.01429	1.9
73.02959	2.4
74.07237	1.3
75.13548	1.3
81.98872	1.3
85.02969	1.8
98.21842	2.5
98.43167	1.4
99.06459	1.5
100.79189	1.3
109.82839	1.3
110.06116	6.7
122.06116	7.9
134.06134	4.8
135.04472	2.1
161.02475	2.9
212.05952	2.0
213.06670	3.2
213.10312	1.8
222.08000	4.5
223.08797	4.5
224.09525	2.1
225.06714	1.7
225.10188	1.9
236.09605	3.3
237.10350	9.4
238.10992	2.2
239.12003	7.0
249.06693	3.0
250.07460	6.6
251.08194	6.1
251.12138	2.5
263.08292	9.4
264.09021	22.1
265.09781	13.6
266.10199	1.8
270.66537	1.4
277.09781	5.7
278.10611	1.9
279.11160	2.0
283.10974	1.5
293.12848	2.1
296.11655	4.9
297.12418	3.4
319.10889	4.1
328.10828	4.7
330.12589	2.5
342.12561	5.7
343.13397	4.3
344.14014	8.3
351.13672	8.1
356.10306	3.4
356.14221	2.0
357.14764	2.7
358.15720	8.3
359.16351	2.6
360.17404	2.4
370.11948	4.3
371.12518	4.6
372.13467	16.0
383.16248	1.9
384.13382	3.8
385.14166	8.4
386.15085	31.4
387.15546	4.9
398.15054	2.8
399.15872	2.4
400.16522	4.1
404.16199	3.0
414.18219	3.2
416.15756	3.7
418.17746	34.5
419.18344	3.1
426.14728	3.2
458.17297	1.8
472.18738	4.4
473.19351	2.4
494.22821	5.4
504.21423	18.0
505.22186	29.1
506.22876	14.3
523.23175	4.5
524.23907	7.3
537.21112	14.2
538.20966	1.9
540.23926	2.1
541.24127	1.8
558.24823	5.1
559.26062	2.3
595.25702	6.1
613.27032	7.7
615.28278	8.4
627.28265	32.9
628.28766	5.1
645.29321	100.0
646.29590	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	645.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15736	0.7
122.06154	2.3
128.06802	0.7
194.08534	1.0
209.10741	1.3
214.55818	0.6
219.09265	1.3
222.07990	26.7
223.08640	1.5
224.09561	1.1
225.06783	0.7
236.09534	1.7
237.10376	13.0
238.10947	1.1
239.11925	2.2
249.04120	1.3
249.06705	25.7
250.07500	20.7
251.08057	1.1
251.11986	1.7
254.07033	2.1
262.07520	3.5
263.08365	4.5
263.11838	4.9
263.96030	0.7
264.09052	11.5
265.09845	72.1
266.10278	2.5
270.68234	0.7
276.09030	6.2
277.09814	10.9
278.10706	4.2
282.06390	0.9
290.10760	0.9
291.11499	5.9
292.12122	2.8
293.13019	1.3
297.12439	6.7
301.09692	1.6
301.40753	0.9
303.07898	0.8
304.08603	6.7
307.14633	0.9
309.12756	0.6
310.09634	0.8
319.10883	40.8
320.11221	2.0
324.14832	0.8
346.15366	0.8
351.13516	100.0
352.13959	4.0
360.13318	1.1
372.13162	1.0
372.17371	0.9
383.16156	57.9
384.16519	2.8
386.15015	1.1
388.16751	0.9
400.16705	1.7
414.18521	0.9
418.17712	2.0
437.19952	1.1
458.17264	1.3
490.19879	1.1
491.21140	0.8
493.22040	4.5
505.22357	14.9
506.22498	1.3
509.18564	2.1
523.23279	67.1
524.23798	4.9
537.25232	1.1
569.20544	2.7
581.24274	1.6
595.25818	1.0
613.26691	0.9
615.28394	5.4
627.28333	24.6
628.28882	1.2
645.29364	55.6
646.29700	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	645.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.6
62.52255	1.6
70.28553	2.0
85.02937	3.8
110.06133	5.0
122.06116	10.1
131.71008	2.3
134.06126	2.1
164.95657	1.9
171.63129	2.0
185.14307	2.4
222.08008	3.3
223.08788	3.7
224.09555	2.7
236.09560	2.3
237.10280	10.1
239.11868	8.2
249.06696	2.3
251.08228	3.4
263.08261	4.5
264.09033	15.7
265.09875	12.8
277.09933	2.5
278.10541	2.2
279.11304	2.1
291.11307	2.1
296.11774	3.9
319.10818	2.8
328.10855	2.9
342.12537	4.9
343.13333	2.4
344.13922	5.2
345.14792	2.1
351.13489	9.2
355.58331	2.0
358.15549	7.4
359.16367	2.4
360.17078	3.4
370.11679	3.6
371.12894	4.7
372.13538	15.0
372.47668	2.1
373.48712	2.6
383.16266	4.5
384.12894	3.3
384.17242	4.4
385.14313	7.1
386.15082	29.1
387.15604	3.7
398.14926	4.0
399.15878	2.7
400.16669	6.9
404.15887	3.4
418.17758	32.3
419.18100	3.3
426.14957	2.1
436.18546	3.0
472.18826	3.6
473.19058	4.3
494.22922	6.1
504.21423	11.5
505.22177	37.4
506.23041	17.4
523.23242	3.2
524.23737	10.0
525.23920	2.4
537.21423	11.5
541.24799	2.8
558.24969	6.6
559.25067	2.5
595.25610	5.7
613.26782	7.1
615.28406	4.5
627.28284	33.3
628.28876	3.3
645.29407	100.0
646.29675	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	645.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25315	0.3
53.94684	0.4
55.13528	0.4
59.01369	0.4
69.05758	2.0
69.06165	0.8
69.42800	0.4
72.89484	0.4
83.05056	0.9
89.03979	3.4
96.96215	0.4
98.22626	0.8
106.04243	0.5
117.03475	10.5
121.03076	0.5
134.03758	99.7
135.04027	2.6
149.06107	6.9
155.28978	0.4
162.13673	0.4
178.02748	1.6
193.05083	100.0
194.05421	3.4
225.16136	0.6
311.39096	0.4
451.32922	16.0
452.33521	1.4
479.86636	0.5
486.62912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45943	0.4
55.01865	0.6
57.03452	1.1
59.01352	0.7
61.26971	0.5
61.98822	0.5
69.17474	0.9
69.17885	2.5
72.04551	8.4
82.06621	0.7
83.01404	1.0
84.61108	0.4
87.23852	0.5
96.82898	0.5
96.96001	2.4
112.94891	0.4
113.02448	0.6
121.02932	0.6
140.10835	2.9
142.12384	51.9
142.81474	0.4
143.12720	1.2
168.10310	26.1
169.10582	1.0
170.11880	24.8
186.11423	0.5
209.04619	0.7
214.10860	100.0
215.11098	2.4
215.13980	1.4
294.61432	0.5
346.43469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69346	0.8
57.03439	2.1
59.01385	18.1
61.98833	1.2
71.01392	7.9
72.99302	0.7
73.02963	3.1
73.70684	0.8
75.44543	0.8
83.01398	1.0
85.02959	18.7
87.00900	0.9
89.02458	2.7
95.01395	1.0
96.96023	0.8
97.18119	0.8
98.21872	1.7
99.00878	1.0
101.02442	4.9
111.00890	2.2
113.02471	2.9
115.00375	1.2
117.03474	24.2
119.05026	8.2
119.53071	0.8
121.02950	2.4
124.01703	0.8
129.01982	4.6
133.01440	1.2
133.02977	1.4
134.03775	1.1
135.04520	1.8
143.05060	4.0
145.02965	100.0
146.03310	1.7
153.05606	1.2
161.02454	1.4
161.04549	2.1
163.04034	6.4
173.00926	2.4
187.03931	2.2
191.02045	1.1
193.05067	0.9
197.04633	4.4
201.11301	1.3
205.05107	2.6
209.11888	1.4
220.06636	0.8
223.06116	1.3
269.10406	1.8
283.91489	0.8
327.07120	1.0
349.66254	0.9
415.16089	1.7
457.15973	1.3
469.47073	1.0
487.25607	4.1
543.28198	1.8
561.19922	2.0
561.28809	1.8
603.20850	15.3
610.47675	0.8
615.24561	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	647.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	70.9
69.11414	8.2
69.11829	5.1
71.01382	7.8
73.02953	2.3
78.95905	3.5
85.02959	2.4
89.02440	4.3
93.88152	2.1
101.02451	5.7
113.02482	2.2
115.70722	2.2
116.92876	3.4
131.30560	2.0
152.99588	4.9
159.15695	2.0
163.11337	5.4
207.10265	11.0
255.23254	10.0
277.21735	30.6
291.23438	2.7
369.15591	5.8
387.16620	11.9
447.54709	2.1
483.27588	6.4
638.35394	3.0
647.38068	100.0
648.38446	9.2
653.31989	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	648.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35286	0.5
57.03440	0.7
59.01379	4.1
59.60361	0.5
61.98834	20.4
69.30925	0.8
69.31261	2.2
71.01365	1.6
73.02949	2.4
85.02950	3.2
97.94614	0.4
101.02442	1.2
102.01077	0.5
113.02402	0.5
144.31224	0.5
160.01494	0.7
161.02446	1.0
179.45949	0.5
203.05789	0.7
214.16667	0.6
301.21814	0.7
303.23380	1.4
307.23035	0.8
315.23505	0.6
319.22772	2.4
333.24451	2.0
337.23883	100.0
338.24261	4.9
351.25415	1.0
379.24881	6.6
455.13831	0.5
541.30536	1.0
548.19031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33437	0.3
59.01380	3.3
63.57883	0.3
69.29791	0.3
71.01384	9.6
71.05499	0.3
85.02960	1.2
85.16914	0.4
89.02455	2.5
101.02448	1.1
113.02482	1.0
115.00378	7.4
116.40710	0.3
119.03510	1.3
119.05041	0.7
133.03003	0.4
134.03763	0.6
135.04506	0.7
143.03526	0.4
145.02928	1.3
149.72217	0.3
150.59377	0.3
161.02431	0.9
161.04533	0.3
163.99672	0.3
179.03482	0.5
179.05635	1.6
193.05038	0.7
206.07288	0.3
207.08148	0.8
219.08287	0.5
223.07643	1.7
224.08319	0.4
233.06122	0.8
234.06882	1.0
235.07646	2.7
236.08368	0.4
245.06215	0.4
247.07903	0.4
249.05563	0.4
250.06322	0.9
251.07123	10.6
252.07465	0.6
261.05585	1.3
262.06439	2.1
263.07156	6.7
264.07877	3.1
267.06812	0.7
277.08765	1.1
278.05991	0.7
278.09442	1.2
279.06653	18.4
279.09848	0.8
280.07034	1.0
282.08978	1.0
293.08267	1.1
294.05649	0.5
294.09012	8.6
295.06131	7.1
295.09317	0.8
299.74045	0.3
306.05429	0.7
307.06058	3.6
308.06891	1.1
309.07739	0.6
309.11145	0.4
310.08475	2.8
321.07629	1.4
322.08463	8.3
323.05630	19.2
323.09039	1.4
324.05988	1.0
337.07236	1.2
338.07996	21.6
339.08298	0.9
341.10254	0.6
353.10306	100.0
354.10641	4.8
371.11310	0.8
410.99866	0.3
508.75150	0.3
533.16748	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	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80351	0.9
59.01389	2.7
63.01490	0.8
69.18444	5.9
71.01383	5.0
73.02905	0.9
76.77371	0.9
78.79157	0.8
85.02971	2.4
85.65260	0.8
101.02431	1.5
105.03530	1.2
108.95705	1.0
113.02447	1.7
115.00378	1.5
117.03485	6.1
119.05042	37.4
123.04522	0.8
133.02966	18.0
134.03752	1.8
135.04541	18.1
145.02969	20.2
149.06079	1.5
161.02464	69.1
162.02744	1.5
163.04024	25.2
175.03967	1.5
177.05602	4.0
179.03520	17.6
203.03534	3.0
219.58546	0.9
219.60796	0.8
221.04520	5.9
279.06705	2.5
294.08737	0.8
295.06143	1.1
322.08481	1.2
323.04504	1.5
323.07843	29.9
324.08047	2.0
338.08002	3.3
339.05115	1.4
341.09985	1.0
353.10297	14.2
354.10620	0.9
396.35941	0.9
469.11560	1.5
487.12494	100.0
488.06616	0.9
488.12930	6.2
583.38885	1.1
649.17340	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	649.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.69323	0.6
57.03447	0.9
59.01384	10.1
69.04138	5.3
71.01389	4.9
73.02941	2.2
76.22488	0.8
85.02961	3.7
96.96036	0.9
98.22655	1.1
101.02431	4.4
102.21761	0.7
103.59953	0.7
105.31949	0.7
107.05030	2.0
113.02457	2.0
117.03500	1.2
125.07890	0.7
132.02159	0.9
133.02959	16.3
134.03780	7.4
135.04539	100.0
136.04898	1.3
161.02455	44.0
161.04619	2.4
179.03514	63.4
180.03889	1.7
193.05125	0.9
234.27814	0.7
269.10315	1.5
275.03674	0.7
276.44263	0.8
401.14691	1.1
443.15668	1.6
556.66113	0.8
563.17651	1.9
605.18848	41.3
606.19312	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	649.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80608	0.9
69.19165	4.9
72.08098	0.8
82.45728	0.8
94.06828	0.9
97.88396	0.9
108.02181	57.3
109.02985	9.0
123.04507	1.1
125.15383	0.9
133.02927	0.9
135.00789	0.9
145.06177	1.0
151.03952	1.3
152.01169	45.5
153.01953	25.6
226.56116	0.8
234.77179	0.9
276.40826	0.9
285.06183	100.0
286.06497	2.8
326.59082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
60.14445	0.2
61.98856	0.4
71.01386	2.7
73.02958	1.5
77.30449	0.3
83.01388	0.6
85.02959	1.7
85.69552	0.3
89.02487	0.3
89.03989	0.3
89.35231	0.2
91.05568	0.6
93.03483	0.7
99.00875	0.7
101.02450	2.0
104.02094	0.3
104.02739	0.3
111.00906	0.4
112.28895	0.3
113.02463	1.5
114.09007	0.3
117.03465	0.5
119.01399	1.0
119.05026	0.8
121.02964	10.2
125.02444	0.4
132.02185	1.0
135.04547	1.1
141.14368	0.3
147.00903	0.9
147.04526	2.9
149.02455	56.2
150.02806	0.8
161.02507	0.4
161.04588	0.7
163.04062	0.7
164.04808	48.0
165.05162	0.7
175.00377	4.6
179.07146	5.6
190.02724	8.0
193.01460	0.4
201.11400	0.3
205.05074	11.1
205.07027	0.6
208.03841	1.7
223.06137	100.0
224.06467	1.9
269.10294	1.1
383.13483	1.4
401.14426	0.6
425.14279	0.4
443.15430	1.8
545.02539	0.3
649.21387	1.7
669.99133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.0
59.01382	13.1
69.95922	1.7
71.01382	8.1
72.04548	0.8
73.02969	1.0
74.02475	2.0
77.12142	0.5
82.02987	1.0
83.01375	0.6
84.04562	4.5
85.02967	0.9
87.00884	2.0
89.02445	9.6
95.01440	0.6
98.02518	0.9
99.05658	1.1
101.02447	7.2
101.07227	2.5
102.05635	0.8
106.47476	0.5
109.04079	7.1
113.02440	4.3
119.03507	2.4
125.02707	0.7
125.03571	3.5
127.05147	25.1
128.03557	8.5
131.03534	0.8
143.03471	1.0
144.03018	0.6
145.06203	100.0
146.04608	1.9
146.06549	1.5
161.04565	2.3
179.05617	15.8
221.06650	6.9
281.08801	0.7
323.09802	1.6
341.11053	3.3
383.11896	5.5
503.16211	30.3
504.16653	1.5
639.44904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02042	0.6
59.01385	9.3
61.31307	0.6
68.71106	0.5
68.99330	0.5
71.01395	8.4
73.02937	1.1
74.02478	1.3
79.95583	0.6
82.02975	3.1
84.04556	3.6
84.04998	0.7
87.00872	2.5
89.02448	8.5
97.04061	0.6
101.02454	6.2
101.07217	1.8
102.05605	2.3
106.97988	0.5
107.02527	0.6
109.04068	6.9
113.02464	2.9
116.15748	0.6
119.03524	1.6
125.03574	3.5
126.01961	2.4
127.02363	0.9
127.05141	22.4
128.03557	9.0
143.03487	1.6
144.03027	2.7
145.06201	100.0
146.04608	5.1
146.06541	1.7
161.04575	1.3
179.05612	10.7
221.06708	4.8
281.08798	1.0
314.19574	0.7
320.50150	0.6
323.09729	1.0
341.10944	1.4
389.30228	0.6
434.93518	0.7
503.16208	29.2
504.16733	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	650.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
82.33279	46.2
124.44848	58.3
147.57069	46.3
195.15576	45.6
340.05447	65.4
454.22006	52.1
473.35718	54.2
578.74219	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	651.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44640	0.7
54.06226	0.8
54.96892	0.8
59.01370	2.3
71.01385	14.9
73.02977	1.2
75.00874	2.3
85.39960	0.7
89.03961	1.3
96.96027	0.9
101.02470	1.1
115.00366	6.0
117.03498	3.9
119.05045	1.1
128.88354	0.9
133.02945	3.8
134.03754	45.4
149.06056	5.8
161.02446	12.5
163.02559	1.5
163.03987	2.3
165.04044	6.5
170.85135	0.9
178.02689	6.1
179.03513	1.9
193.05069	100.0
194.05396	2.7
210.07059	0.8
222.92564	0.8
309.06210	3.9
341.08868	5.3
357.15390	0.9
403.09494	0.8
651.18518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.0
59.01390	25.3
69.49816	3.1
69.50217	7.3
71.01389	36.2
72.99319	2.6
85.02960	46.2
87.00890	4.0
89.02456	21.1
95.01412	18.4
101.02473	5.0
105.03457	3.8
109.02943	4.3
113.02460	100.0
123.04533	44.8
131.03531	8.2
133.02855	2.4
135.04494	4.2
143.03491	5.5
144.81525	2.0
149.04562	10.3
150.03233	26.5
151.04024	94.3
152.04375	2.8
161.04581	31.7
189.59981	2.7
191.05647	13.5
205.05057	3.3
233.06718	9.0
300.53671	2.4
307.10370	2.5
372.27560	2.7
374.43073	2.0
459.14972	5.4
591.19366	88.3
592.19897	8.7
593.21075	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	651.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.59447	0.1
57.03459	0.3
59.01383	20.8
61.98837	0.2
65.17796	0.1
69.03465	0.5
71.01389	5.9
72.98827	0.1
72.99267	0.1
73.02950	17.9
74.03310	0.2
75.00887	0.3
79.44363	0.1
81.03472	0.3
83.01396	4.2
85.02952	1.2
87.00892	0.2
89.02469	0.4
95.01433	0.2
97.02953	0.7
99.00906	0.4
101.02449	14.6
109.02956	0.1
113.02460	3.5
115.04044	0.2
119.03522	0.3
125.02461	1.8
131.03526	0.9
132.02229	0.4
134.03716	0.2
135.04539	0.2
137.09726	0.2
143.03516	1.8
149.04572	0.6
155.03630	0.8
155.10789	100.0
156.11115	2.5
160.01646	0.8
161.02478	0.2
161.04578	2.0
169.12361	1.4
175.03993	1.7
179.03592	0.1
189.04068	0.3
193.05132	0.4
197.11861	2.9
203.05626	3.4
203.07446	0.2
209.11852	0.2
221.06699	0.7
227.12904	0.5
239.12898	0.2
263.07706	0.2
299.15085	0.3
304.96381	0.1
312.52502	0.2
359.17270	0.4
401.18179	1.4
651.22852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
56.44873	0.3
57.03444	0.8
57.84543	0.2
58.96016	0.2
59.01386	8.5
65.02491	0.2
69.29822	1.1
71.01389	6.0
73.02956	0.6
83.01406	0.5
85.02959	5.6
87.00916	0.3
89.02457	3.5
89.03960	0.4
95.01383	1.8
98.21815	0.2
101.02448	2.2
104.02651	0.3
113.02464	10.3
114.02771	0.3
117.03479	1.1
119.03527	0.9
125.29417	0.2
132.02187	16.8
133.02901	0.2
134.03755	15.9
135.04565	0.4
137.06088	0.8
143.03467	0.4
147.04562	0.3
149.06087	2.4
152.04790	1.3
160.01675	63.3
161.02142	1.7
161.04536	1.3
167.07162	2.0
170.67017	0.2
175.04021	100.0
176.04353	2.8
179.03389	0.3
190.62645	0.2
193.05074	12.7
194.05405	0.4
200.19702	0.3
235.04356	0.4
329.12457	1.1
427.03506	0.3
457.16953	0.5
475.18228	6.4
476.18454	0.3
505.16895	0.5
554.87323	0.3
651.22961	24.1
652.23120	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	651.23
Annotation	Isomartynoside
Peak:m/z	Relative Intensity
50.52470	0.1
55.01881	0.4
57.03452	1.1
58.00598	0.2
59.01384	10.5
60.01778	0.1
62.46198	0.2
71.01389	7.9
72.99317	0.2
73.02954	0.8
79.78379	0.2
83.01400	0.7
85.02956	7.6
87.00895	0.4
89.02454	4.0
89.03980	0.6
95.01396	3.0
101.02457	2.1
103.04053	0.4
104.02662	0.4
113.02460	12.4
117.03468	1.1
119.03517	1.3
122.03774	0.4
132.02187	21.6
133.02890	0.5
134.03755	18.8
135.04456	0.3
137.06136	0.8
143.03503	0.3
147.04501	0.2
149.06110	2.6
152.04814	1.4
160.01674	78.5
161.02225	1.8
161.04573	0.7
167.07144	2.6
175.04021	100.0
176.04362	2.4
178.02730	0.8
193.05075	12.6
207.06548	0.2
212.46234	0.2
265.07169	0.4
283.13693	0.2
292.28754	0.2
311.11374	0.3
329.12524	0.9
337.09482	0.2
357.78085	0.2
457.17236	0.8
475.18250	5.2
476.18835	0.3
505.17163	0.6
529.26532	0.2
633.91339	0.2
651.22974	23.0
652.23279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01384	8.7
69.21945	2.8
69.22369	0.8
71.01385	6.2
73.02949	0.9
77.69649	0.6
83.01379	0.6
85.02972	6.6
89.02463	3.9
95.01406	2.6
101.02457	2.5
113.02460	10.0
115.85573	0.5
117.03465	0.7
119.03537	0.9
132.02184	19.5
133.02808	0.5
134.03745	13.8
143.03549	0.5
149.06105	2.6
152.04822	1.5
160.01675	63.8
161.02271	2.1
161.04512	0.8
167.07167	2.3
175.04016	100.0
176.04305	2.4
178.02757	0.9
193.05058	11.1
194.05347	0.6
329.12317	0.9
330.95929	0.6
457.17291	0.7
475.18179	6.4
651.22998	24.9
652.23248	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1729
Annotation	Tricin 5,7-diglucoside
Peak:m/z	Relative Intensity
59.01387	3.6
70.93242	1.0
71.01382	2.6
72.09161	0.6
73.02953	1.4
83.01367	0.6
85.02952	2.2
87.24480	0.6
89.02460	1.7
93.61706	0.7
101.02451	1.7
108.02180	10.8
109.02962	1.3
113.02454	1.0
117.03500	0.8
123.04543	5.4
132.02155	1.5
133.02969	21.2
134.03841	2.8
135.04543	26.9
137.02444	1.1
144.69104	0.5
149.06102	1.7
152.01166	23.7
153.01889	0.6
159.04472	0.5
161.02460	75.5
162.02759	1.8
167.03503	24.9
175.03964	1.2
177.01855	0.9
177.05565	4.6
179.03510	22.0
180.03612	0.8
203.03584	1.8
209.04652	0.7
220.03802	1.1
221.04552	5.6
245.04506	0.7
263.05634	1.7
280.05896	1.1
323.07736	48.2
324.08145	2.0
329.08655	1.0
341.08423	0.6
359.14761	0.5
473.11072	0.8
491.12003	100.0
492.12360	6.3
653.17328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1733
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
51.22808	0.8
54.76406	0.7
55.01875	0.8
59.01371	3.0
69.56258	3.7
71.01384	3.8
72.99286	1.2
73.02937	1.4
85.02955	3.8
87.00882	1.0
89.02443	1.6
92.16440	0.9
93.03434	0.8
98.21992	1.2
99.00888	1.0
101.02443	1.8
108.02184	61.4
109.02972	14.5
110.82965	0.8
113.02466	2.2
119.04965	0.8
121.02963	6.3
123.04533	1.2
129.02011	0.9
133.02966	1.6
134.03780	1.6
135.04515	2.9
143.03516	0.7
147.04547	0.9
149.01270	1.4
149.02460	21.2
150.03241	5.7
151.04022	1.6
152.01167	100.0
153.01942	4.3
161.02460	3.5
161.04501	1.0
163.04024	4.5
164.04819	12.7
165.05511	2.9
167.03366	0.9
176.01115	2.9
179.03522	2.3
179.07108	0.9
190.02713	2.6
191.03477	3.5
193.05016	1.8
194.02171	2.5
208.03703	0.9
209.04543	9.4
223.06129	7.6
242.16902	0.9
271.08322	0.8
297.06250	0.8
315.07169	1.9
429.10391	14.3
447.11493	43.1
448.11597	1.3
505.29877	0.8
619.50256	1.1
653.17249	83.8
654.17871	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	653.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.4
56.92765	0.4
59.01376	2.0
59.40039	0.4
71.01397	2.7
71.06276	0.6
76.26859	0.4
85.02958	4.2
89.02454	0.8
95.01411	1.5
98.13199	0.4
101.96806	0.4
105.03471	1.5
107.05064	0.6
109.02960	1.0
113.02461	8.0
117.03456	1.1
122.03776	1.1
123.04540	10.5
132.02197	3.3
133.02968	34.6
134.03790	3.6
135.04544	39.1
136.04861	1.1
143.03534	0.4
149.02481	1.0
149.06042	0.5
150.03252	6.9
150.90419	0.4
151.04024	18.7
160.01663	2.5
161.02460	100.0
162.02820	2.4
175.04001	2.4
177.05693	0.6
179.03510	53.7
180.03897	1.3
193.05032	2.6
203.03528	0.9
205.05251	0.6
239.66357	0.4
338.69220	0.4
398.18222	0.5
448.63345	0.4
450.64679	0.5
459.15094	6.8
469.13611	0.5
487.14648	5.5
568.21826	0.5
621.18256	38.0
622.18500	2.9
635.20215	0.8
642.96301	0.5
653.20905	15.0
654.21887	1.4
662.02020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05402	2.6
57.01948	2.5
69.43008	5.1
69.43405	10.4
75.87070	2.5
86.29575	2.5
93.19234	2.4
93.96916	2.4
160.04056	12.7
211.08768	2.8
218.04651	5.0
226.11169	4.9
237.06763	4.8
238.07556	10.8
239.08237	11.3
241.13359	13.1
246.10284	3.1
249.10402	4.9
251.08257	7.4
252.09079	5.3
263.08432	3.2
264.63068	3.1
265.09784	8.6
266.07022	8.0
267.07703	5.9
267.11499	2.8
277.09827	3.2
278.06888	6.7
279.07773	24.6
293.09363	11.5
310.09894	3.3
311.10333	4.7
312.96634	3.0
321.08823	77.1
322.09048	3.6
325.11914	7.0
353.11453	100.0
354.11673	5.5
355.90814	2.8
385.14029	11.5
434.20880	4.2
497.14017	3.3
522.88098	3.1
589.21045	11.9
621.23425	47.1
622.24121	6.9
667.43146	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96379	0.7
69.54202	1.1
78.95908	100.0
98.22578	0.9
101.39423	0.4
106.93069	0.4
112.08654	0.4
149.00090	4.5
170.64722	0.4
205.16037	2.5
285.12668	5.1
297.88297	0.4
355.16800	2.5
385.17819	1.3
417.12497	0.9
447.13495	6.3
448.07767	0.5
620.12988	0.6
653.30164	74.7
654.20587	0.6
654.30597	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03437	1.2
58.00594	0.5
59.01384	55.0
59.84315	0.5
61.98825	1.0
66.46255	0.4
69.03446	1.9
71.01385	38.6
72.99306	1.1
73.02943	6.7
75.00881	1.0
78.95912	0.6
81.03459	1.8
83.01389	5.3
85.02467	0.7
85.02958	8.8
87.00883	8.1
87.04495	0.6
89.02450	32.5
91.03997	1.0
95.01401	2.9
97.02960	5.7
98.80495	0.4
99.00899	2.5
99.03542	0.4
99.04546	0.4
100.01173	0.5
101.02452	33.2
102.02748	0.6
103.03997	0.5
111.04517	1.3
113.02457	14.5
114.37881	0.6
115.04015	0.9
119.03509	11.7
124.01713	0.5
125.02454	15.3
131.03526	2.3
133.05074	1.3
136.42442	0.5
139.03999	1.2
143.03519	6.3
149.04596	0.9
152.99567	0.5
161.04564	8.2
167.03488	0.8
171.03043	0.6
179.05615	7.5
185.04501	0.9
191.40565	0.5
217.07210	1.5
219.05049	0.5
219.73253	0.6
221.06673	2.8
235.08250	15.3
245.06702	1.1
253.09329	3.4
255.23306	100.0
256.23587	3.7
263.07700	2.0
269.24792	0.7
277.09326	1.1
279.23242	1.1
279.25998	0.5
287.07779	3.0
305.08752	4.3
323.09891	2.0
379.12115	1.0
397.13516	94.3
398.13782	2.7
415.14594	37.1
416.15158	0.9
545.22375	1.5
595.28778	1.2
621.23785	1.8
653.25879	1.5
653.36621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03437	1.2
58.00611	0.9
59.01384	53.0
61.98831	1.3
64.55758	0.3
68.99851	0.4
69.03468	2.3
71.01387	38.6
71.42127	0.4
72.99311	1.2
73.02952	6.9
73.03363	0.4
78.95895	0.4
81.03473	1.6
83.01395	4.3
83.91737	0.4
85.02957	7.7
85.23680	0.3
87.00881	8.1
89.02453	32.8
91.04023	0.8
93.03432	0.6
95.01394	2.9
97.02961	6.5
99.00902	1.8
99.04576	0.4
101.02454	28.8
109.02942	0.6
111.00823	0.5
111.04531	1.1
113.02460	13.2
115.04018	0.8
119.03503	9.6
121.02996	0.8
123.00887	0.4
124.01628	0.5
125.02462	11.6
131.03529	2.0
133.05064	0.8
139.04041	1.2
141.02003	0.8
143.03510	6.0
149.04578	1.1
161.04561	5.7
167.03514	0.9
178.15491	0.4
179.05621	5.5
185.04572	0.8
199.06190	0.6
210.84953	0.4
217.07088	0.8
221.06633	2.5
235.08244	13.0
245.06573	0.8
253.09322	3.2
255.23308	100.0
256.23669	3.9
263.07855	1.6
269.24789	0.9
277.09247	1.0
287.07663	3.7
305.08875	4.1
313.60364	0.4
323.09888	1.8
379.12387	0.9
397.13516	82.8
398.13809	3.1
415.14584	31.0
416.14990	1.0
532.48364	0.4
545.21924	1.3
653.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79109	2.0
59.01363	4.2
61.98820	3.0
66.57219	1.9
70.97058	3.6
71.01358	2.9
89.02468	2.1
101.02470	2.1
145.03024	5.7
247.90195	2.4
273.36304	2.5
454.39453	2.2
653.33124	3.3
653.44067	100.0
654.44202	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41848	3.4
51.66824	3.9
52.61049	3.5
54.12884	3.7
59.01385	3.8
60.98483	4.2
61.98826	5.3
67.81686	3.7
102.55867	3.6
121.01868	4.1
205.77524	4.1
254.14487	3.8
290.01318	3.7
319.30219	4.2
533.79736	4.2
550.15857	5.0
653.44171	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	655.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96498	0.8
63.19040	0.7
71.01390	14.1
78.01107	1.0
88.86011	0.8
89.00336	1.7
98.21870	2.6
102.20288	0.8
106.00620	1.2
115.00377	8.0
121.02967	27.2
123.00924	1.6
133.02878	1.4
138.03235	3.5
153.05583	23.9
161.02415	4.5
166.99802	1.0
181.51219	0.7
182.02173	4.4
197.04558	100.0
198.04916	2.9
228.96097	0.9
262.32480	0.6
313.05536	4.8
341.08780	2.2
485.44833	0.9
530.62823	1.1
615.43225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00727	1.4
50.59153	1.5
54.64090	1.5
56.66346	1.6
59.01383	100.0
60.01725	1.3
61.98835	8.4
69.09680	9.5
72.60135	1.4
74.10733	1.3
74.27580	1.3
96.99318	7.6
97.02998	1.5
121.54068	1.5
141.00679	2.1
141.01712	57.6
199.35162	1.5
207.93968	1.5
221.41721	1.8
275.06226	5.5
277.21692	2.4
304.96860	1.5
359.20612	2.7
535.27740	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01754	6.3
59.01384	100.0
69.22083	10.0
69.22493	25.8
75.49695	6.3
78.95926	15.0
79.65703	7.4
88.88499	6.7
98.22276	35.0
98.93563	6.8
103.75770	6.2
109.87973	7.4
126.95674	7.0
141.01726	53.8
148.42163	7.3
152.99614	12.7
248.84964	7.5
277.21799	15.1
279.23282	15.5
358.68753	6.9
654.77063	12.7
655.26752	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	656.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42338	0.4
59.01382	0.5
61.98835	56.5
63.02389	0.7
71.38869	0.5
78.25256	0.5
83.01389	0.9
83.52432	0.4
85.02981	1.0
93.03473	0.9
107.01405	2.7
113.81740	0.5
117.03463	2.5
119.05039	2.2
132.02211	0.5
135.00862	1.0
135.04527	1.0
143.05031	0.7
145.02962	7.8
151.00407	3.2
151.93700	0.5
159.04558	0.7
161.02440	0.8
161.06140	0.5
163.00378	1.9
163.04004	2.4
164.01176	0.5
179.03551	1.1
183.04556	0.6
185.06067	1.6
187.04008	1.1
189.05606	0.8
190.28682	0.6
199.04173	0.7
211.03976	1.5
213.05623	1.6
227.03526	21.6
228.03999	0.8
229.05064	5.1
239.03459	0.9
240.04387	0.5
241.05037	1.1
255.03000	43.0
256.03680	5.4
257.04553	4.0
284.03296	50.6
285.04050	59.4
286.04398	2.7
307.08270	1.5
447.09244	1.4
581.23425	0.5
593.13043	100.0
594.13391	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	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02665	0.9
59.01401	1.5
61.98832	18.7
67.05375	0.9
70.95346	0.8
85.47775	0.8
98.36229	1.1
102.81966	0.9
107.01418	1.2
147.37253	1.0
151.00360	1.4
163.00359	1.8
169.01236	0.9
178.99808	1.0
187.03986	1.5
211.03857	1.3
213.05701	1.1
215.59050	0.9
227.03522	17.5
228.03813	1.2
229.05070	7.0
241.04720	1.1
255.02988	36.5
255.05690	1.8
256.03766	2.6
257.04642	4.5
284.03265	50.7
285.04047	59.8
286.04428	2.1
593.15149	100.0
594.15448	5.7
622.33508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85441	0.4
57.03448	0.5
59.01385	5.4
59.26166	0.4
61.98835	100.0
66.02287	0.4
70.46909	1.0
71.01390	5.8
73.02981	0.4
84.02281	0.4
85.02963	5.6
89.02448	3.0
95.01392	2.2
100.36555	0.4
101.02477	1.2
113.02459	13.8
114.63619	0.4
119.03522	0.5
123.04568	0.7
131.03526	1.2
135.04524	10.3
137.28859	0.5
137.50426	0.4
142.06685	0.4
161.04594	0.7
208.86050	0.5
218.34116	0.4
297.09821	0.7
315.10992	1.3
423.89926	0.5
453.99887	0.5
461.16623	3.2
500.04074	0.5
524.14478	0.6
593.20935	43.9
594.21021	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	657.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16469	0.4
59.01390	2.3
61.98808	0.5
69.17867	2.7
71.01398	0.9
73.02950	1.0
79.95740	8.9
85.02950	0.7
88.25523	0.4
96.96018	0.9
101.02455	0.8
103.25066	0.4
106.58120	0.4
113.02430	0.7
117.00906	0.5
135.04549	0.5
135.36530	0.4
161.02452	0.7
171.08174	15.2
201.64723	0.5
220.01901	0.9
232.61655	0.5
235.04358	100.0
236.04643	2.7
247.13470	0.7
249.14966	0.7
279.05920	0.5
350.58328	0.4
353.93497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61881	2.2
57.26162	2.1
59.01395	13.7
61.98830	2.8
69.15331	14.3
71.01379	9.0
83.05037	4.1
85.02963	3.8
89.02456	8.9
89.66544	2.1
97.06618	2.4
101.02460	6.9
103.32595	1.9
109.06578	2.4
113.02462	4.2
125.09733	6.8
161.04565	3.7
171.10284	15.2
205.15955	2.8
209.11841	20.2
211.13385	24.6
215.14481	3.0
227.12979	4.5
233.15495	24.4
249.15038	9.2
287.31653	2.3
341.24771	3.2
375.25284	3.5
382.73004	2.2
385.23743	5.9
403.24973	16.7
421.26038	12.7
457.65005	2.7
488.14294	3.4
639.34033	33.3
640.34076	3.2
657.34979	100.0
658.35480	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	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
58.44028	1.4
59.01386	14.1
60.57275	1.4
61.83941	1.8
61.98840	3.2
71.01385	13.8
71.17651	2.6
73.25291	1.6
83.05044	7.5
85.02961	2.7
86.02485	2.0
89.02470	5.1
97.06551	3.4
101.02437	5.8
111.08229	3.4
113.02493	3.9
115.00392	4.5
119.03554	2.1
125.09736	5.1
127.08751	2.3
128.03551	12.2
133.01451	5.0
135.08202	1.6
145.16713	1.7
161.02498	1.8
161.04521	2.0
165.12808	1.6
171.07814	10.3
171.10291	19.2
183.13919	4.9
185.11809	1.6
196.00900	1.5
205.15894	2.7
209.11858	43.3
210.12192	1.9
211.13422	46.4
215.06776	3.2
215.14389	1.7
217.23878	1.5
227.12900	7.6
231.14005	2.2
233.15511	15.6
247.13387	1.9
249.14900	9.9
253.09373	10.0
325.18542	4.4
375.25589	1.6
385.24066	2.5
403.24951	11.6
412.21835	2.9
421.26031	16.3
424.56683	1.7
468.07135	1.6
541.25946	5.0
639.33624	10.8
657.34979	100.0
658.36029	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	658.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.95231	0.7
61.98838	3.0
63.74718	0.8
69.50763	2.4
69.51152	1.5
80.83797	0.7
83.03643	0.7
109.00916	0.7
109.87724	0.9
114.97346	0.8
141.01712	68.7
189.09996	0.8
264.99075	0.7
277.21826	3.2
323.45602	0.8
502.29672	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	659.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
57.03452	12.1
57.43769	0.7
61.90408	0.6
65.00325	2.3
67.01887	2.2
69.38604	4.0
69.48076	0.7
71.01370	1.1
72.99326	0.8
74.68811	0.8
77.85822	0.7
83.01392	15.3
84.02144	0.9
85.02956	87.6
86.03265	1.0
91.01896	9.0
95.01406	0.7
107.01405	1.2
108.02177	28.5
109.02989	1.5
111.00887	30.4
123.00903	6.1
123.04531	35.0
124.01681	4.9
129.01950	48.6
130.02231	0.9
136.01672	8.8
136.98772	1.4
147.02995	2.6
147.04625	1.3
151.04033	1.2
152.01164	28.3
154.99850	3.1
163.03979	2.0
164.04794	2.5
166.02753	4.3
167.03502	100.0
168.03906	1.6
173.00946	4.0
174.03218	2.0
175.04027	1.0
176.04788	0.8
181.05156	0.9
189.05608	1.8
190.02724	1.6
191.01961	1.0
192.04321	11.4
202.02728	1.6
204.63728	0.7
207.06633	27.9
208.06984	0.9
220.03813	2.3
235.06125	53.8
261.03970	2.1
279.05069	12.9
297.06149	7.2
309.05026	0.7
323.04135	6.0
341.05170	6.6
350.04193	0.8
359.06128	1.5
447.09274	1.3
509.09464	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	659.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
57.03450	15.1
59.01369	0.6
65.00321	1.3
67.01894	1.4
68.99825	0.8
71.01382	1.6
72.99290	0.9
80.72034	0.5
81.03467	0.7
83.01400	11.0
84.02157	1.2
85.02956	100.0
86.03281	0.7
91.01892	5.1
92.02686	1.0
93.03465	16.3
95.01385	1.7
102.35662	0.6
107.01389	1.3
108.02177	15.7
109.02972	1.5
111.00890	27.4
117.50882	0.6
120.02293	0.6
121.02979	5.2
122.03848	0.9
123.00881	4.5
123.04533	18.1
124.01682	2.4
125.02411	1.0
129.01956	51.9
130.02249	1.4
131.05002	0.8
136.01678	5.0
137.02454	11.7
138.03276	1.5
138.95416	0.7
147.03001	4.1
147.04530	1.5
151.04047	0.7
152.01161	14.0
153.05603	3.7
154.99875	2.3
159.04529	1.3
163.04082	0.7
164.04846	0.8
166.02731	3.2
166.99838	1.5
167.03511	47.2
168.03854	1.2
173.00914	6.3
174.03235	1.5
177.05594	11.1
182.02205	2.6
189.05548	1.6
190.02737	1.0
191.02029	1.6
192.04268	5.1
197.04552	12.0
202.02664	1.1
205.05037	7.8
207.06625	11.0
220.03780	1.2
222.05151	0.7
235.06129	36.0
236.06577	1.5
249.04037	3.5
261.04187	1.0
265.07257	1.3
279.05139	6.8
280.67834	0.7
293.03104	1.5
297.06189	6.1
323.04001	3.5
327.07077	0.7
341.05203	4.8
359.06186	1.2
368.20270	0.6
370.35309	0.6
371.06143	2.0
389.07315	1.0
417.52881	0.7
474.31683	0.6
509.09399	1.0
539.10724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.2
57.03451	13.0
63.02381	1.2
65.00321	2.5
67.01909	1.9
71.01375	1.1
72.99319	2.0
79.95751	1.1
83.01395	17.7
83.01848	1.6
84.02167	1.2
85.02958	96.1
86.03304	1.4
91.01904	9.9
95.01427	0.9
101.02454	0.9
107.01398	1.3
108.02178	34.2
109.03003	1.5
111.00892	38.6
122.03709	1.1
123.00922	6.2
123.04538	38.4
124.01661	3.8
124.04869	1.0
129.01956	56.8
130.02274	1.3
136.01678	9.7
137.02469	0.9
147.02972	3.0
150.03217	0.8
151.04039	1.6
151.99963	2.1
152.01158	30.4
153.05563	1.0
154.99893	3.1
157.06563	2.0
161.02469	0.9
163.04070	2.1
164.04767	3.5
166.02725	3.9
167.03505	100.0
168.03815	1.9
173.00851	4.7
173.82118	0.9
174.03262	2.4
176.04890	1.4
181.05176	0.8
186.96088	0.9
189.05673	1.5
191.02112	1.0
191.03590	1.2
191.07266	1.0
192.04326	14.2
207.02960	1.5
207.06628	28.5
208.06958	1.4
220.03812	3.5
221.02808	11.0
235.06137	56.7
236.06482	2.3
261.04089	2.9
279.05148	16.7
297.06226	5.1
323.04114	3.9
341.05185	7.1
359.06247	1.7
447.09268	1.1
453.21255	1.1
504.79492	1.0
509.09244	3.0
516.99133	1.0
657.08185	1.1
683.52289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38681	0.7
52.75254	0.7
59.01377	1.9
67.01907	1.2
69.24379	4.5
71.01396	1.5
85.02958	7.5
87.00876	4.2
93.03471	13.3
99.04536	0.9
105.03471	3.3
107.05064	1.2
109.02960	8.8
111.04536	2.8
113.02468	1.5
127.03992	1.9
133.02971	20.3
135.04530	10.9
149.02490	1.2
157.02943	0.9
159.04544	2.6
161.02451	7.9
173.04568	8.2
176.58260	0.9
177.01953	7.7
179.03470	6.6
185.02475	2.9
191.05623	100.0
192.06018	2.4
203.03622	1.7
215.05634	9.9
223.79993	0.7
229.01430	6.6
246.31895	0.8
249.05550	1.1
265.04941	0.9
267.06610	2.1
277.05042	2.7
284.30954	0.8
293.04572	1.8
295.06116	8.6
307.08252	3.1
321.04047	3.7
339.05127	18.6
340.05371	1.5
344.83957	0.9
351.07205	24.1
352.07361	1.1
353.08685	6.4
357.06290	1.3
449.08704	0.9
461.16785	1.4
467.09818	13.0
468.10092	1.1
487.12222	1.2
659.16919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39310	1.5
55.01867	2.2
56.57872	1.3
57.03450	5.3
59.01394	8.7
69.23468	8.0
71.01390	9.6
83.01402	6.2
85.02956	49.6
89.02451	2.4
93.03464	6.7
95.01414	3.4
95.09381	1.8
101.02426	2.0
108.02177	5.4
111.00884	9.7
113.02459	17.3
123.04536	12.3
129.01939	20.9
132.02168	1.6
133.02966	32.9
135.04527	15.6
136.01680	3.3
137.02417	4.0
147.02922	1.9
152.01166	7.2
153.05603	2.6
155.63341	1.3
161.02455	100.0
167.03499	20.7
173.00916	3.2
177.05574	2.1
179.03535	7.6
180.19514	1.7
192.04282	2.9
197.04543	3.5
205.05032	2.5
207.01266	5.4
207.06650	6.3
229.29333	1.5
235.06102	17.6
238.51494	1.4
279.05167	4.5
297.06299	2.6
341.05008	2.3
461.16714	4.1
621.18298	2.6
623.19800	71.8
624.20306	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	659.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	96.4
61.98836	8.1
69.94589	6.0
69.94924	11.3
75.00887	26.2
88.50663	6.4
96.96030	5.7
98.21934	7.2
103.00383	15.6
141.01732	65.0
149.18492	5.0
152.61902	5.6
342.31723	5.6
455.17389	8.0
468.17819	38.3
469.18649	11.5
483.20435	73.1
484.20938	10.4
496.17908	37.7
500.16830	25.7
501.17645	13.6
510.15445	12.4
511.19934	84.6
512.13373	13.0
512.20184	13.3
513.21716	8.3
526.14807	21.5
527.15326	10.7
528.16370	10.3
539.19476	7.5
543.22437	6.6
555.18915	27.3
583.18518	16.5
587.21735	23.7
599.18036	47.5
600.18542	24.5
615.20947	71.1
627.17041	19.2
659.20056	100.0
660.20563	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60573	1.7
54.74805	1.7
56.79344	2.0
69.47988	7.5
78.95908	2.0
79.92689	1.8
91.60371	1.9
136.60956	2.2
304.73483	2.3
427.68695	2.2
469.22452	4.1
479.21127	4.0
496.17581	6.2
512.17102	12.4
536.16687	3.8
555.19080	8.9
627.21289	4.7
659.23712	100.0
660.24005	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	659.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03450	0.9
59.01386	9.5
71.01390	5.6
72.99335	0.7
73.02959	2.1
80.43558	0.5
81.03515	0.5
83.01391	1.6
85.02958	6.6
86.00068	0.6
87.00889	1.2
89.02464	2.1
98.22732	0.8
99.00883	1.0
101.02451	4.0
103.04005	0.6
108.02179	0.7
111.00913	1.0
113.02452	3.3
117.03479	29.5
119.05042	16.8
123.04572	1.2
127.04006	0.8
129.01941	2.1
131.03519	2.6
133.02962	0.7
145.02968	100.0
146.03337	3.0
149.04527	0.7
152.01204	1.3
160.01668	0.6
161.02467	1.3
161.04553	1.2
163.04022	23.6
167.03523	2.9
175.03987	0.5
179.03505	0.6
182.37338	0.5
191.05629	1.7
193.05042	0.8
207.06622	0.8
222.84338	0.5
235.06155	2.5
235.11905	3.0
249.15036	0.9
279.05325	0.7
381.17520	2.3
453.21259	1.9
513.21710	3.9
524.31470	0.5
527.21289	0.7
659.25616	38.0
660.25854	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	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.7
71.01418	1.5
85.02944	3.1
110.06148	2.2
116.90372	1.0
119.27154	1.1
122.06139	8.2
134.06133	2.1
155.26021	1.0
179.03416	1.1
183.17607	1.1
237.10347	1.6
240.43698	1.0
247.13229	1.2
249.10419	1.9
251.08054	1.2
263.08319	16.2
265.09866	3.1
276.09088	4.5
277.09790	13.3
278.10583	8.9
279.11279	3.0
289.09860	1.2
291.07788	60.2
292.08313	4.2
292.17868	1.1
305.09323	14.5
306.10123	62.6
307.10748	8.7
308.08124	1.7
321.12439	4.8
337.12088	1.9
338.09027	3.1
338.12674	4.2
338.16290	1.2
350.09094	100.0
351.09433	5.9
353.11560	1.7
356.13858	1.9
362.56073	1.3
365.11456	12.8
366.12137	1.8
368.14157	1.7
371.11993	1.0
380.10117	2.2
382.15628	2.3
384.16879	2.2
395.12692	1.1
396.13657	13.3
397.14053	4.6
400.16577	2.3
410.15054	3.7
411.15802	10.3
412.16699	2.1
414.15097	1.5
416.16321	2.8
428.16406	5.2
442.17599	2.2
445.15906	1.3
446.17206	10.0
448.18689	2.4
455.14960	4.6
460.18683	4.2
474.20505	1.8
478.19955	6.6
487.17484	7.7
490.09012	1.7
490.16202	36.3
491.16705	1.7
492.21243	2.7
493.22394	2.6
505.18616	21.7
506.19147	1.4
522.18848	18.8
533.22015	2.5
537.21143	9.5
551.22980	15.0
553.24817	1.3
565.24402	2.2
583.25568	9.0
595.22131	7.6
599.30188	1.3
615.28339	3.8
627.24646	69.2
628.24915	5.1
659.27167	19.5
660.27820	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	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
69.36610	1.1
69.87434	0.3
73.02953	8.3
85.02940	0.5
89.02443	0.4
108.04556	0.3
113.16602	0.4
120.04541	0.3
122.06115	0.7
134.06145	0.6
144.04549	3.6
148.03947	0.3
162.05615	0.5
183.06879	0.4
188.03551	1.0
190.68903	0.3
196.07910	0.3
198.09274	5.0
203.05890	4.5
214.08749	0.9
225.06738	2.5
226.07498	4.8
227.08197	1.0
229.09819	5.9
237.40802	0.4
240.10336	1.8
241.09837	49.0
242.10359	2.2
283.10901	5.9
302.99426	0.3
313.11908	0.8
315.13522	100.0
316.13806	3.8
325.11978	2.7
343.12997	9.8
344.13251	0.4
570.93762	0.4
659.27789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
73.02950	7.8
85.02967	0.5
95.05010	0.3
108.04583	0.3
110.06108	0.5
112.20771	0.2
117.29365	0.3
120.04555	0.3
122.06121	0.4
134.06158	0.3
144.04564	3.2
161.02432	0.2
162.05591	1.0
179.03438	0.4
183.06923	0.3
188.03535	0.8
198.07625	0.4
198.09279	5.4
203.05876	5.2
204.06592	0.6
213.10190	0.3
214.08873	1.2
225.06702	2.2
226.07495	4.4
227.08211	0.8
229.09842	5.7
240.10341	1.9
241.09837	51.9
242.10367	2.4
257.50153	0.3
283.10907	6.5
300.11224	0.5
312.39584	0.2
313.12070	0.4
314.12817	0.5
315.13519	100.0
316.13815	3.3
325.11908	2.5
343.13004	9.0
344.13489	0.4
573.21753	0.4
627.24475	0.5
659.27496	0.7
675.75610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09246	5.4
61.98842	41.7
65.39256	6.5
71.01380	8.4
72.46553	6.4
74.07362	6.4
74.95241	6.1
80.96520	44.7
87.69392	6.7
94.98086	11.2
108.03667	6.6
130.91901	6.4
225.00789	20.8
357.71625	6.6
416.07037	7.1
577.26886	100.0
578.27118	13.2
623.34369	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	659.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	23.6
80.96526	24.4
87.46537	18.0
225.32861	19.6
447.96249	24.2
515.16547	23.2
577.26898	62.8
599.17560	27.6
623.34918	100.0
624.35767	24.9
659.32416	31.7
659.69409	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	659.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37754	0.3
59.01376	2.4
61.62151	0.3
61.98834	0.9
71.01395	1.7
73.02945	0.7
83.01381	0.4
83.05018	0.4
85.02961	0.6
87.00866	0.3
89.02445	1.2
97.06556	0.4
101.02435	1.6
110.15354	0.3
113.02452	0.8
119.03574	0.5
131.03644	0.3
157.18536	0.3
161.04515	0.7
167.10901	0.3
167.14481	0.5
179.05646	0.4
183.13905	7.4
193.12332	1.4
209.11879	1.6
211.13402	100.0
212.13741	3.3
213.15001	1.0
253.09334	5.7
387.25421	0.6
405.26364	1.0
447.22406	8.1
448.22437	0.5
499.28580	0.5
583.22131	0.4
641.35596	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	659.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76842	0.3
59.01381	2.4
69.03442	0.5
69.29572	1.5
71.01392	0.9
73.02953	0.4
83.01392	0.3
83.05007	0.4
85.02947	0.4
89.02439	1.0
101.02439	1.3
110.44509	0.3
113.02444	0.4
161.04581	0.5
167.14424	0.5
183.13905	6.2
184.14297	0.3
193.12311	1.4
209.11963	0.6
211.13409	100.0
212.13771	2.8
253.09285	5.7
253.11728	0.4
387.25272	0.5
405.26413	1.4
405.54742	0.3
447.22388	7.5
448.23105	0.3
501.16833	0.4
641.35516	5.2
643.45178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76842	0.3
59.01381	2.4
69.03442	0.5
69.29572	1.5
71.01392	0.9
73.02953	0.4
83.01392	0.3
83.05007	0.4
85.02947	0.4
89.02439	1.0
101.02439	1.3
110.44509	0.3
113.02444	0.4
161.04581	0.5
167.14424	0.5
183.13905	6.2
184.14297	0.3
193.12311	1.4
209.11963	0.6
211.13409	100.0
212.13771	2.8
253.09285	5.7
253.11728	0.4
387.25272	0.5
405.26413	1.4
405.54742	0.3
447.22388	7.5
448.23105	0.3
501.16833	0.4
641.35516	5.2
643.45178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14654	0.3
57.03452	0.4
59.01385	5.8
69.03447	0.4
69.27028	0.2
69.34637	1.1
71.01389	5.2
73.02946	2.2
83.01414	0.8
85.02962	2.6
86.00140	0.3
87.00886	2.3
87.60999	0.3
88.71374	0.3
89.02454	2.9
93.35379	0.2
95.01412	0.2
97.02936	0.5
99.00904	0.5
101.02450	2.7
105.03474	0.4
107.05063	0.4
111.00889	3.2
113.02470	2.5
116.43173	0.3
117.03485	0.9
121.76073	0.2
125.02413	0.2
127.04034	0.6
131.03526	4.5
132.02200	2.0
133.02979	34.4
134.03699	1.2
135.04543	9.1
136.22842	0.3
137.02452	0.3
141.01927	0.3
143.03571	0.3
149.04591	0.7
150.31046	0.3
155.03539	0.6
155.30130	0.3
161.02467	100.0
162.02820	2.6
164.41963	0.3
168.59251	0.3
173.04567	0.9
179.03522	4.5
185.04567	0.4
191.05688	1.5
221.06735	0.8
277.09302	0.3
305.06854	0.3
331.77594	0.3
334.54068	0.3
367.12546	0.6
389.11075	0.7
435.53964	0.3
475.18573	0.3
499.16858	1.9
525.94775	0.3
529.15833	0.7
661.19904	52.3
662.20294	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23763	0.8
52.78315	0.8
55.01906	0.7
59.01381	8.6
60.50482	0.8
61.19454	0.8
64.07889	0.9
69.54804	2.8
71.01381	2.0
73.02959	1.0
82.95425	11.4
85.02960	8.7
89.02447	1.5
92.05051	1.6
92.12051	0.9
93.55491	0.8
94.06624	1.3
96.95989	2.4
106.06623	3.3
107.03764	3.0
108.04559	2.2
108.08211	1.2
110.06130	9.7
113.02493	1.1
115.00394	2.2
117.68597	0.8
118.06631	1.0
120.04529	2.0
120.08192	1.5
121.05329	2.4
122.06137	36.7
123.06441	1.2
127.16756	0.9
129.02003	1.7
130.06631	1.3
130.22377	0.9
134.03761	1.4
134.06149	7.8
135.04547	1.7
136.07690	2.1
144.04547	2.5
145.05305	1.1
146.06136	1.6
152.07230	1.1
160.04056	1.2
160.06401	5.1
161.02423	1.9
161.04764	3.8
167.81694	1.1
174.05634	7.7
180.06679	5.2
186.05605	2.2
187.06384	1.7
188.03574	1.0
188.07205	4.3
191.02046	1.2
198.12975	1.3
201.10315	1.5
203.05862	2.7
203.11861	2.5
211.08693	1.1
213.10355	20.1
215.11853	2.5
223.08755	1.2
224.09459	1.4
225.10321	2.7
226.11060	2.6
227.11760	1.0
235.08780	1.7
236.09584	2.4
237.10323	3.5
238.07407	1.4
238.11108	1.8
239.08214	1.6
239.11896	22.9
240.12370	1.8
241.13452	15.3
248.09497	1.7
249.10342	2.7
251.08257	2.7
251.11830	8.0
261.10477	1.2
262.07452	1.6
263.08090	3.2
263.11853	3.7
264.09055	9.8
265.09802	8.5
266.10437	2.4
267.11313	4.3
275.08313	2.0
276.09003	2.9
277.09781	3.6
278.07199	1.4
278.10519	2.5
279.07755	3.4
279.11346	17.3
280.12164	5.8
281.09503	1.8
281.12848	2.7
283.07803	0.9
283.10889	3.5
284.49625	0.9
285.12466	54.9
286.12585	1.5
289.10086	1.2
290.10574	2.0
291.07693	3.1
291.11307	9.1
292.08591	15.6
292.11740	2.1
293.09235	8.3
293.12854	5.5
294.09811	1.6
301.12027	4.2
306.10083	7.1
307.10907	43.6
308.11621	15.9
309.12183	2.1
311.10513	5.4
312.10919	1.8
321.12259	1.9
323.14029	1.2
325.11795	1.4
328.10812	1.0
330.16055	2.1
333.08597	1.4
335.10254	1.7
340.10519	3.5
341.11353	1.4
342.16245	1.2
343.13153	3.1
344.17584	2.1
345.18375	1.6
350.09106	13.1
351.09866	37.8
351.14169	2.0
352.10574	4.5
354.12415	1.6
354.16327	1.4
355.13330	1.2
356.14041	5.0
357.14453	1.5
365.11337	3.7
368.17493	2.2
369.14587	1.5
370.15665	9.5
371.16281	3.2
372.17093	3.3
382.11850	1.7
383.12460	3.0
384.13452	3.0
384.17563	1.4
385.18237	1.0
387.15640	1.1
388.16626	1.4
397.14368	2.4
398.15186	12.6
402.18277	1.8
403.15143	2.2
412.16742	9.3
413.17429	10.3
416.16119	1.2
418.17780	2.2
428.16132	1.2
429.16998	1.5
430.17740	10.1
433.15860	1.0
444.19296	2.5
446.16800	1.3
447.17889	4.4
448.18942	5.3
456.15714	2.9
457.16016	1.5
462.19879	3.7
474.16821	4.7
485.25519	2.5
488.18256	1.6
491.17120	3.0
491.24423	1.2
492.17825	12.7
493.22443	2.6
506.19305	33.0
507.19681	3.8
511.23538	6.4
520.20892	2.2
523.23590	2.4
524.19897	5.9
535.23486	16.9
536.24200	1.7
538.21979	57.9
539.22498	5.7
553.24634	54.4
554.24872	6.4
556.23199	1.6
567.25610	3.6
579.22467	5.4
585.27405	8.3
586.28125	1.6
597.23596	47.8
598.24103	6.4
611.25134	7.6
629.26227	100.0
630.26624	12.4
643.27563	2.0
661.28687	33.1
662.28772	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	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.6
59.45456	0.6
62.24598	0.6
71.01392	9.4
83.01397	1.2
85.02962	3.5
89.02455	5.8
96.96024	2.9
98.22697	1.4
101.02449	5.2
113.01808	0.5
113.02467	3.4
119.03494	2.5
135.04573	0.6
161.02531	0.8
209.03285	0.6
301.21796	1.0
319.22748	8.2
321.24219	1.2
337.23856	3.5
426.95343	0.6
499.29193	100.0
500.29611	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	661.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16737	0.7
59.01384	18.5
59.76720	0.7
69.23810	0.7
69.24503	1.9
69.24894	1.3
71.01385	7.8
71.53239	0.7
73.02943	2.0
83.01385	1.6
85.02946	4.8
89.02456	5.7
95.01387	0.8
101.02462	4.6
113.02453	2.6
116.05891	0.8
119.03516	1.1
125.38538	0.7
198.81099	0.7
205.12476	0.9
231.78551	0.6
246.81544	0.6
300.09863	0.7
301.21765	6.6
303.23361	2.9
319.22742	5.6
338.13232	0.8
445.19415	0.7
455.22830	2.1
481.28119	27.3
482.28241	2.2
483.29648	1.0
499.29120	2.7
514.60773	0.8
580.07776	0.7
661.34473	100.0
662.34784	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	663.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
65.83869	0.3
69.63808	1.1
72.99319	0.3
79.95742	3.5
85.02954	3.7
96.96017	100.0
98.21944	0.5
99.00887	0.4
106.44520	0.3
111.00892	0.6
121.02960	0.7
121.27299	0.3
129.01959	2.4
140.94968	0.3
140.98705	0.4
153.05626	0.4
173.00932	1.2
182.99730	0.5
191.02078	0.3
193.05141	0.5
197.04578	1.3
200.05040	0.3
201.09988	0.2
209.03024	0.4
226.98938	0.3
246.49205	0.3
246.99248	0.3
277.65549	0.3
299.09567	0.3
301.71689	0.3
317.03357	0.3
321.03003	0.8
323.07745	0.7
371.06305	1.1
381.01501	0.3
387.42911	0.3
390.56180	0.3
401.54422	0.3
409.01028	0.3
469.03128	0.6
489.07007	0.3
636.51630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51429	0.2
57.03461	0.3
58.37957	0.2
59.01374	0.7
71.01385	0.6
72.99293	0.2
79.95744	3.6
83.01369	0.2
85.02953	2.4
89.02470	0.2
93.62308	0.2
96.96019	100.0
97.95983	0.3
98.93941	0.4
101.02450	0.2
111.00871	0.3
113.92621	0.5
119.03581	0.3
121.02968	0.5
128.19600	0.2
129.01921	1.3
133.02977	0.3
134.03754	0.8
135.04582	0.6
140.98698	0.3
141.91284	0.2
147.03052	0.3
153.05612	0.3
160.01660	0.2
161.02473	0.8
173.00937	0.5
175.04012	0.2
177.01913	0.2
179.03485	0.6
179.46584	0.2
182.99774	0.6
189.59975	0.2
191.00484	0.3
191.02046	0.3
193.05095	0.8
197.04596	0.7
205.98978	0.3
208.66006	0.2
209.67686	0.2
257.86859	0.2
258.02121	0.4
262.01678	0.3
272.95575	0.2
275.99542	0.2
302.01056	0.3
306.00583	0.2
317.03409	0.5
321.02957	0.6
327.07260	0.3
361.02188	0.2
365.01926	0.4
367.06866	0.3
370.13400	0.2
371.06183	0.3
379.43277	0.2
381.01398	0.2
385.06506	0.2
405.01495	0.5
409.00891	0.4
471.06174	0.3
497.08218	0.3
501.10565	0.5
515.08990	0.2
603.06506	0.4
683.82898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01384	8.4
61.98816	0.3
69.30103	1.4
71.01390	2.9
72.99324	0.3
73.02949	1.9
74.82041	0.2
78.95446	0.2
83.01383	0.7
85.02951	2.6
89.02456	0.8
89.03999	0.3
95.01399	0.3
96.96024	0.2
98.21854	0.5
99.00898	0.5
101.02476	2.0
103.04012	0.3
105.03476	0.5
105.58408	0.3
109.02959	0.2
109.92171	0.3
113.02473	1.8
115.01918	0.3
117.03470	1.4
119.03499	0.3
123.04540	0.4
125.02489	0.3
132.02177	2.4
133.02969	32.7
134.03395	1.1
134.46034	0.3
135.04544	4.6
149.02388	0.4
161.02457	100.0
162.02797	2.8
171.08125	0.4
179.03545	1.9
235.04372	1.8
269.10382	1.4
280.85532	0.3
297.11066	0.4
415.16077	0.8
429.40530	0.3
457.17142	0.7
457.33264	0.4
501.32016	0.5
562.11536	0.3
565.14941	0.3
577.19019	1.2
619.20325	35.3
620.20660	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50385	0.6
55.01866	1.3
57.03458	0.9
57.96189	0.7
58.71862	0.7
59.01383	100.0
61.03809	0.6
61.98846	1.4
69.03455	1.9
71.01389	23.2
73.02953	63.7
76.40633	0.7
80.03789	0.8
81.03469	0.7
83.01392	13.1
85.02956	11.5
87.00889	4.8
89.02452	5.2
95.01416	2.0
97.02955	1.3
99.00912	2.6
101.02450	53.7
103.64636	0.7
113.02469	17.2
115.04018	0.7
119.03511	6.3
120.87605	0.8
125.02441	4.5
127.04047	1.2
131.03526	10.3
134.03728	4.7
135.04575	1.3
143.03496	5.8
149.04585	9.9
149.06142	1.1
155.03540	2.3
159.02968	0.8
161.02559	1.6
161.03140	1.1
161.04570	23.2
167.10788	76.3
168.11142	1.8
179.03557	1.4
179.05692	1.0
181.12416	1.1
191.10820	8.0
193.05051	5.8
203.05624	13.1
203.07442	0.9
209.11807	5.2
210.07027	0.7
213.09726	0.8
221.04501	1.4
221.06670	28.0
221.11787	1.0
263.07742	24.6
279.46753	0.7
305.08832	14.6
323.10062	1.1
349.47723	0.9
351.24316	0.7
409.05914	0.9
413.18097	2.1
438.53079	0.9
614.16248	1.0
648.32513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38650	0.1
59.01368	0.5
61.98830	0.1
69.25175	0.6
71.01377	0.2
79.95734	9.3
85.02957	0.2
89.02415	0.1
89.30247	0.1
101.02477	0.2
113.02429	0.3
133.02950	0.2
135.04536	0.2
161.02524	0.7
169.06673	0.2
171.08170	13.1
172.08554	0.4
206.47379	0.2
218.97972	0.1
220.01971	0.3
221.56079	0.1
234.03313	0.1
235.04356	100.0
236.04663	2.7
458.40726	0.1
516.24066	0.2
603.99524	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03448	8.4
58.89876	2.4
59.01384	100.0
60.01707	2.7
61.04637	2.6
61.45765	2.4
61.57932	2.4
61.98811	3.8
71.01389	55.2
71.40289	2.7
72.99299	3.1
73.02955	36.9
81.55554	2.3
83.01389	13.3
84.01723	2.3
85.02956	53.7
86.03296	5.9
87.00865	6.0
87.03377	5.5
88.98843	2.6
89.02458	41.3
95.01410	4.4
96.96008	3.3
97.96746	2.7
99.00886	3.2
101.02456	40.6
108.02187	8.5
111.00896	8.5
112.01180	2.7
113.02457	41.4
117.92824	2.3
119.03530	20.8
123.00834	3.3
123.04520	11.4
124.04909	5.7
125.02396	3.2
125.98637	2.7
129.01965	18.1
130.02283	5.6
131.02470	2.8
131.03525	7.6
133.02980	5.3
135.04497	5.5
143.03456	7.3
149.04561	3.6
152.01195	4.6
153.01537	2.6
161.02457	10.9
161.04559	14.5
167.03505	22.0
168.03847	9.9
169.03969	7.7
170.04289	3.4
179.03517	6.2
179.05583	14.1
193.04727	3.0
202.47986	2.6
207.06657	5.1
208.07014	4.3
221.02791	7.2
221.06537	2.3
235.06168	7.4
236.06442	7.7
237.06613	5.4
272.61789	2.7
281.05402	3.5
291.22610	2.4
309.92252	2.3
316.39053	2.5
397.22208	3.8
415.23306	3.2
483.22269	6.4
559.27661	26.3
560.27655	3.9
562.69617	2.8
577.28735	24.8
619.29590	8.4
663.29120	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	663.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34770	0.5
55.01888	1.4
57.03448	1.4
58.00595	1.5
59.01385	88.3
59.98671	0.6
63.66582	0.5
70.71519	0.9
71.01387	34.6
71.05028	1.7
72.99314	1.3
73.02953	26.9
75.00856	0.6
79.31472	0.5
83.01398	7.4
85.02958	7.8
87.00904	1.8
89.02451	24.2
95.01395	3.1
99.00915	0.7
99.04527	3.3
101.02451	22.7
113.02460	11.5
119.03524	8.9
125.02490	1.0
126.75268	0.6
131.03484	1.4
133.02983	0.6
135.04550	0.8
136.64398	0.5
143.03537	1.8
149.04485	0.8
161.02458	1.6
161.04597	2.8
161.13402	1.4
169.58171	0.5
179.03394	0.7
179.05685	2.0
217.15941	3.3
261.15045	3.0
350.23651	0.6
395.10541	0.6
423.20377	1.2
441.21243	2.5
483.22385	100.0
484.22842	6.9
501.23557	0.8
663.28741	48.8
664.29193	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	663.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03577	1.3
51.40523	1.2
51.46632	1.1
55.01875	2.5
57.03452	3.0
59.01381	100.0
61.98860	1.9
71.01385	46.5
71.41109	1.6
72.99296	2.1
73.02952	40.0
83.01386	11.1
85.02949	23.4
87.00877	5.0
89.02449	35.9
95.01397	5.6
96.96021	1.2
101.02448	34.0
109.06552	1.8
111.00925	1.8
113.02459	38.6
115.87012	1.4
119.03523	13.6
125.02452	3.0
129.01921	4.1
131.03531	3.7
135.04538	2.2
143.03496	6.2
149.04565	4.1
161.02435	4.8
161.04523	12.5
167.03487	4.0
173.00966	1.5
176.80560	1.3
179.03529	3.3
179.05603	14.0
191.44235	1.2
196.02579	1.3
197.04688	1.3
205.57053	1.1
206.00496	1.3
221.06416	1.8
229.09206	1.3
235.06070	2.1
278.59674	1.4
295.02951	1.4
341.04590	1.3
415.23132	1.9
530.08606	1.6
543.28217	3.9
559.27576	24.7
560.27917	2.1
561.29077	10.0
577.28784	23.2
579.30554	2.6
619.30176	7.2
621.31177	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	663.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24381	1.4
53.46879	1.4
55.01886	1.5
57.03448	2.2
58.00609	1.5
59.01385	100.0
71.01385	43.7
72.99303	2.0
73.02954	48.5
75.00842	1.6
83.01385	9.9
85.02957	17.1
87.00907	2.1
89.02453	33.4
95.01405	4.9
96.64282	1.2
96.96040	1.4
97.02940	1.6
97.51073	1.3
99.00864	1.6
101.01799	2.7
101.02450	39.2
109.06612	1.3
113.02463	30.0
119.03527	14.6
125.02420	2.0
127.84711	1.1
128.03549	1.4
129.01949	2.7
131.03526	4.6
133.43338	1.3
135.04512	3.0
143.03526	7.1
149.04558	5.3
161.02432	4.4
161.04547	13.9
167.03473	1.4
175.36961	1.2
179.03435	2.8
179.05638	15.7
221.06711	2.7
469.09622	1.4
559.27625	8.6
560.27777	1.8
561.29144	2.5
577.28625	6.0
619.30414	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03577	1.3
51.40523	1.2
51.46632	1.1
55.01875	2.5
57.03452	3.0
59.01381	100.0
61.98860	1.9
71.01385	46.5
71.41109	1.6
72.99296	2.1
73.02952	40.0
83.01386	11.1
85.02949	23.4
87.00877	5.0
89.02449	35.9
95.01397	5.6
96.96021	1.2
101.02448	34.0
109.06552	1.8
111.00925	1.8
113.02459	38.6
115.87012	1.4
119.03523	13.6
125.02452	3.0
129.01921	4.1
131.03531	3.7
135.04538	2.2
143.03496	6.2
149.04565	4.1
161.02435	4.8
161.04523	12.5
167.03487	4.0
173.00966	1.5
176.80560	1.3
179.03529	3.3
179.05603	14.0
191.44235	1.2
196.02579	1.3
197.04688	1.3
205.57053	1.1
206.00496	1.3
221.06416	1.8
229.09206	1.3
235.06070	2.1
278.59674	1.4
295.02951	1.4
341.04590	1.3
415.23132	1.9
530.08606	1.6
543.28217	3.9
559.27576	24.7
560.27917	2.1
561.29077	10.0
577.28784	23.2
579.30554	2.6
619.30176	7.2
621.31177	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	663.3759
Annotation	Rubuside J
Peak:m/z	Relative Intensity
52.37424	0.4
54.20018	0.4
58.00595	0.7
59.01385	6.2
61.98825	0.6
71.01392	2.1
71.38698	0.5
73.02953	0.4
83.01360	0.4
84.77382	0.3
85.02960	1.5
89.02457	1.5
96.95985	0.4
101.02458	1.3
113.02470	4.0
128.03564	0.5
133.02928	0.4
141.52217	0.4
146.88803	0.4
161.02451	0.9
161.04593	0.7
162.65042	0.4
171.07716	0.5
179.03477	0.8
189.76344	0.4
323.18637	0.4
356.42316	0.4
393.27747	0.7
437.30597	2.1
439.32251	3.9
457.33279	100.0
458.33615	8.5
471.34854	2.3
472.22507	0.4
483.31186	1.3
499.34174	0.5
501.32303	14.0
502.32437	1.1
515.33813	0.8
543.33398	15.6
544.33997	1.3
573.34583	1.4
603.35358	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	665.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04719	0.7
57.03435	1.0
59.01368	3.8
69.48614	0.9
71.01376	5.0
71.37748	1.1
72.99306	1.9
79.95728	2.9
80.25874	0.8
81.95316	1.8
83.01404	2.8
84.93886	2.1
85.02524	1.2
85.02959	10.1
86.03266	1.0
87.00860	1.1
89.02440	2.7
96.96017	100.0
97.95961	3.5
98.95599	65.2
98.96425	13.0
99.00888	5.9
99.92588	43.3
99.93260	1.0
100.92688	1.6
100.93365	40.9
101.02442	3.3
101.93386	1.4
111.00860	1.3
114.94915	1.4
115.92088	55.3
116.92864	38.3
117.92856	1.1
121.02948	4.1
124.93347	1.1
127.00347	1.4
129.01921	4.2
132.02205	1.4
134.03764	9.9
135.04568	1.1
138.94965	1.3
142.94435	34.5
143.03526	1.1
147.04533	1.0
149.02484	1.0
149.06036	1.1
153.01973	1.0
153.05620	1.7
156.92294	0.8
160.01701	4.0
161.02345	1.0
166.94388	3.2
173.00935	1.8
175.04031	4.4
179.04015	0.7
179.05659	1.9
182.02167	1.1
182.93834	1.1
183.94730	1.6
184.95496	4.4
191.01886	1.4
193.05066	8.1
197.04533	3.5
205.05124	0.9
206.93951	1.0
209.03032	2.8
210.93475	4.5
215.95187	1.8
216.95944	1.4
217.96715	4.3
218.97566	1.2
221.06531	1.0
221.96207	1.0
222.93466	1.4
228.94432	1.5
233.96170	2.0
237.95747	2.1
261.95657	2.2
262.96106	0.9
265.95218	1.6
276.98117	14.3
280.97629	3.0
290.96365	1.3
290.99622	2.7
292.97449	1.5
296.97043	2.4
308.97101	2.5
312.96512	3.0
361.00281	8.3
371.06061	1.3
374.97787	1.4
383.11804	2.5
404.99179	12.0
405.99463	1.2
408.98834	5.0
603.04401	5.9
630.58612	0.9
637.14520	1.5
665.21185	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	665.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
69.53704	3.3
71.01382	3.6
72.99334	1.0
85.02911	1.9
85.19350	0.7
86.20461	0.7
96.96027	11.3
97.63628	0.7
98.22669	1.3
98.95599	8.7
98.96439	1.5
99.00870	2.2
99.92603	5.2
100.93380	16.3
101.02477	0.9
101.93379	0.8
113.02529	0.9
115.91316	1.6
115.92084	18.0
116.92850	2.2
117.03531	1.1
119.03459	0.9
132.02245	1.0
133.02968	26.5
134.03751	4.1
135.04536	71.6
136.04823	1.5
149.06081	1.1
156.92372	0.9
159.04442	0.9
161.02460	100.0
162.02797	2.4
172.70587	0.9
175.04041	1.5
177.05585	3.0
179.03510	82.3
180.03812	1.3
184.95467	4.2
192.36018	0.7
203.03546	1.9
209.81985	0.8
210.46342	0.7
210.93405	1.7
216.89252	0.8
221.04556	5.0
276.98251	1.3
281.06512	0.8
296.97076	1.3
323.07736	30.2
324.08011	1.1
341.08719	11.3
343.23715	0.8
374.55933	0.7
383.11920	1.3
389.18488	1.0
404.99170	3.3
408.98755	1.2
459.12970	1.9
470.66315	0.8
485.11896	3.4
503.12012	63.7
504.12347	2.9
603.04279	1.4
665.17584	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.8
61.98830	0.6
64.49929	0.6
64.51299	0.5
69.18252	1.9
69.18657	1.7
71.01386	10.2
73.02950	1.6
75.00877	1.7
85.02954	3.5
87.00889	3.6
89.02440	7.0
89.03936	0.6
96.96016	4.0
98.95599	2.3
99.00911	1.4
99.92605	3.2
100.93390	3.2
101.02457	5.4
105.03478	0.8
109.02940	0.6
113.02439	3.8
115.92104	5.0
116.92865	2.8
117.03481	1.4
119.03484	0.8
119.53077	0.6
121.02982	0.7
125.02438	0.7
132.02151	1.5
133.02969	30.8
134.03745	2.3
135.04535	26.1
141.01933	0.6
142.94424	2.4
143.03494	1.1
149.06148	1.0
161.02461	100.0
162.02821	2.5
163.04012	1.7
177.05602	4.6
179.03529	27.2
179.05615	8.6
180.03798	0.7
193.05113	0.8
203.03578	1.1
221.04549	7.5
221.06718	3.0
251.05608	9.8
276.97867	1.1
280.97571	0.6
281.06644	8.8
323.07571	1.0
323.13397	1.0
325.09167	0.8
341.08557	7.2
383.09784	26.7
384.10092	1.5
413.10837	8.3
443.11938	15.3
485.13644	2.2
503.14124	4.5
653.11005	0.7
665.19409	61.2
666.19922	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
57.47414	0.2
59.01384	17.8
61.06366	0.3
69.03459	1.0
71.01387	10.6
72.99322	0.3
73.02957	3.0
77.03954	0.4
81.03490	0.5
83.01405	1.5
83.62595	0.3
85.02955	4.6
87.00867	1.8
89.02453	6.4
89.04010	0.4
95.01402	1.2
97.02984	0.8
99.00892	0.7
101.02454	6.1
104.05394	0.3
106.73662	0.3
109.02937	0.4
113.02462	7.4
117.03470	0.9
119.03512	1.5
123.04556	1.7
125.02468	1.5
127.05153	0.3
131.03499	0.6
131.70004	0.4
132.02200	2.6
133.02969	39.9
134.03490	0.9
135.04541	12.5
136.04861	0.4
141.01927	0.3
143.03516	1.5
153.05608	1.2
155.03485	0.6
160.01746	0.3
161.02458	100.0
162.02806	2.1
179.03526	3.1
179.05620	4.0
203.05602	0.8
221.06699	1.6
297.09872	0.5
315.10919	0.8
323.09738	0.5
341.10852	2.6
374.79095	0.3
383.11905	6.1
443.13965	0.8
461.16641	1.3
485.15674	2.0
485.23038	1.7
493.22711	0.4
503.17801	5.8
535.23895	1.0
664.72516	1.2
665.21002	48.1
666.21228	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
57.47414	0.2
59.01384	17.8
61.06366	0.3
69.03459	1.0
71.01387	10.6
72.99322	0.3
73.02957	3.0
77.03954	0.4
81.03490	0.5
83.01405	1.5
83.62595	0.3
85.02955	4.6
87.00867	1.8
89.02453	6.4
89.04010	0.4
95.01402	1.2
97.02984	0.8
99.00892	0.7
101.02454	6.1
104.05394	0.3
106.73662	0.3
109.02937	0.4
113.02462	7.4
117.03470	0.9
119.03512	1.5
123.04556	1.7
125.02468	1.5
127.05153	0.3
131.03499	0.6
131.70004	0.4
132.02200	2.6
133.02969	39.9
134.03490	0.9
135.04541	12.5
136.04861	0.4
141.01927	0.3
143.03516	1.5
153.05608	1.2
155.03485	0.6
160.01746	0.3
161.02458	100.0
162.02806	2.1
179.03526	3.1
179.05620	4.0
203.05602	0.8
221.06699	1.6
297.09872	0.5
315.10919	0.8
323.09738	0.5
341.10852	2.6
374.79095	0.3
383.11905	6.1
443.13965	0.8
461.16641	1.3
485.15674	2.0
485.23038	1.7
493.22711	0.4
503.17801	5.8
535.23895	1.0
664.72516	1.2
665.21002	48.1
666.21228	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	665.2151
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
50.63382	2.5
51.21317	2.7
57.43240	2.6
58.00582	3.3
59.01383	100.0
61.98821	12.9
71.01390	58.5
73.02953	11.5
73.97742	2.5
79.80811	2.5
83.01392	4.0
85.02954	23.2
87.00889	18.7
88.76633	2.7
89.02448	70.7
95.01377	4.7
101.02450	63.8
113.02446	27.9
119.03501	16.6
123.39889	2.7
125.02454	10.6
131.03503	5.7
133.02931	6.0
135.04559	4.8
143.03540	16.9
161.02438	10.6
161.04613	16.5
175.03996	5.6
179.03418	3.8
179.03993	3.9
179.05629	52.2
191.01918	3.6
193.05127	4.2
203.05486	3.8
221.06708	15.0
221.25011	2.5
277.88663	2.7
323.09735	3.4
341.11011	34.8
383.12009	80.7
384.12225	2.6
411.35458	2.7
425.12857	3.8
443.14145	8.0
485.15002	22.5
579.30597	3.4
621.32587	3.1
665.21478	71.6
665.33392	4.6
666.21643	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	665.2123
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
56.63315	1.1
57.03434	1.6
57.08279	1.2
57.54700	1.2
59.01384	48.2
60.63722	1.2
71.01025	2.4
71.01389	28.4
73.02942	7.9
83.01376	2.3
85.02965	13.6
87.00868	8.2
89.02457	31.1
95.01390	3.0
97.02963	2.2
101.02448	24.3
109.02949	1.8
111.00843	1.4
113.02463	20.9
114.83910	1.3
119.03500	6.9
123.04562	2.0
125.02461	5.4
131.03543	1.8
132.02187	4.5
133.02968	38.4
134.03696	4.9
135.04550	16.5
143.03510	4.3
153.05710	1.2
160.01683	9.5
161.02457	100.0
161.04597	5.3
162.02809	3.4
166.02831	1.3
175.04050	12.6
179.03529	5.5
179.05606	20.3
193.05046	3.3
203.05656	2.5
221.06665	6.9
222.51331	1.2
228.47169	1.5
261.46567	1.4
263.07922	1.3
281.08701	1.6
290.08386	1.3
323.09778	1.8
341.10913	12.5
383.11975	30.5
443.14334	5.3
461.16748	6.4
485.15430	7.7
485.23361	1.5
489.16403	1.7
561.29187	9.7
579.29980	6.9
623.20160	5.1
637.21393	5.0
665.21191	72.6
666.21527	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	665.2156
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
50.05499	2.7
55.51850	2.9
57.03445	2.7
59.01386	100.0
61.98823	6.3
69.03442	3.6
71.01389	70.2
71.38675	3.1
72.99309	3.4
73.02943	14.4
75.00860	3.3
83.01400	5.4
85.02973	16.8
87.00890	24.2
87.07323	3.0
89.02447	75.9
96.13967	2.8
96.96023	4.1
97.02924	5.8
99.00893	3.9
101.02452	60.1
109.02908	3.4
111.00874	4.6
111.69129	3.0
113.02467	33.7
119.03522	16.6
124.30721	3.1
125.02444	10.2
131.03497	7.0
133.03000	5.4
134.03737	3.8
135.04547	7.3
143.03482	11.3
161.02509	13.7
161.04588	14.9
179.03770	5.7
179.05620	50.4
203.05615	9.3
221.06660	17.8
235.04306	4.1
235.08073	3.1
341.10901	31.0
383.11990	82.1
400.71930	2.9
443.13922	12.4
485.15149	19.5
643.08466	3.3
665.21393	58.8
666.22559	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	665.2149
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
57.03460	1.7
58.00589	2.2
59.01385	100.0
60.01749	1.7
69.03473	2.0
69.05472	1.4
71.00069	1.8
71.01386	64.7
71.66276	1.2
72.62943	1.2
72.99316	2.6
73.02958	13.6
73.45756	1.3
75.00862	1.6
81.03453	2.0
83.01403	3.0
85.02959	12.7
87.00872	21.7
87.04525	1.6
89.02453	79.9
95.01386	4.2
97.02962	5.1
99.00890	2.7
101.02448	63.9
104.76407	1.2
113.02461	31.2
114.21117	1.3
115.04061	2.1
118.96215	1.6
119.03514	14.9
125.02444	9.4
131.03493	6.1
131.04366	1.5
143.03514	15.2
149.04572	2.9
161.02432	2.4
161.04547	17.0
175.02928	1.4
179.05627	64.2
203.05670	6.7
217.00835	1.5
221.06667	19.4
263.07736	2.6
281.08755	3.9
323.09781	3.6
323.13406	2.3
336.06116	1.5
341.10922	40.9
341.15060	2.1
342.11188	2.1
383.11990	92.2
384.12189	2.4
385.40305	1.5
411.39447	1.5
413.13364	1.9
425.13049	3.5
443.14050	17.1
485.15186	22.3
503.15964	4.6
665.21533	76.6
666.21735	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	665.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96318	1.2
52.89546	1.5
56.72056	1.3
57.03445	1.8
59.01383	100.0
69.03436	3.6
69.07994	9.2
71.01387	63.8
72.99294	2.0
73.02943	12.0
81.03459	3.5
83.01385	2.4
85.02953	14.9
87.00882	20.0
89.02450	74.3
94.35017	1.4
95.01394	3.5
97.02951	3.5
99.00893	2.4
101.02445	56.2
103.78143	1.4
109.02943	2.5
113.01719	2.7
113.02455	32.1
119.03507	12.4
125.02470	7.1
131.03499	3.0
143.03528	13.3
149.04565	3.1
161.04570	12.9
179.05620	52.6
203.05571	4.9
221.06645	19.9
263.07727	2.3
265.14157	1.8
281.08752	4.7
321.08780	1.8
323.09912	3.9
341.10928	34.2
383.11972	83.3
384.12354	2.5
413.12946	1.9
425.13278	3.2
443.08197	2.4
443.14011	18.8
485.15094	22.6
503.16080	2.5
554.86121	1.5
665.21521	73.3
666.21576	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	665.215
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
57.03440	1.8
59.01383	100.0
69.03455	2.5
71.01388	60.1
72.99332	2.2
73.02953	11.6
75.00846	1.4
81.03465	2.2
83.01394	4.4
85.02962	10.5
87.00878	24.4
89.02451	80.6
95.01395	4.4
97.02969	5.1
99.00895	1.4
99.04500	1.3
101.02451	65.3
109.00932	1.0
109.02981	1.1
113.02459	28.6
119.03511	15.7
125.02444	9.9
131.03487	4.2
141.01933	2.0
143.03525	14.8
149.04561	2.9
156.42369	1.1
161.04539	12.9
179.05620	62.9
185.04440	1.0
203.05614	6.0
221.06685	19.1
281.08734	4.4
323.09802	4.9
338.51636	1.1
341.10916	36.6
342.11313	1.6
355.32086	1.2
383.11966	93.1
384.12271	3.7
413.12741	1.4
425.12927	3.9
443.14090	18.3
485.15140	23.8
486.15408	1.6
503.16370	2.0
659.39362	1.1
665.21484	74.4
666.22296	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	665.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
57.03467	3.5
58.00580	2.2
58.21596	2.2
59.01385	100.0
64.43009	2.3
69.36775	13.2
71.01388	65.9
73.02944	20.9
83.01379	7.8
85.02960	30.2
87.00880	7.9
87.04549	3.0
89.02461	24.5
92.09203	2.1
95.01382	6.9
97.03003	2.8
99.00867	4.7
101.02456	34.5
105.06036	2.4
111.00874	3.4
113.02468	30.5
119.03487	11.0
125.02486	3.4
129.01996	3.2
135.04518	2.5
143.03497	5.3
161.04573	11.6
161.05742	2.4
179.05624	5.1
189.49590	2.1
221.06596	2.7
341.10495	4.7
383.12000	3.8
394.36151	2.7
399.24033	7.3
417.24915	12.1
457.84192	2.6
503.21436	4.8
561.29169	99.4
562.28864	4.8
579.30304	73.3
580.30823	4.5
621.31464	20.9
622.17377	2.4
622.31543	2.8
665.21631	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	666.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82423	2.6
59.01382	8.4
60.68990	2.5
61.98820	8.2
62.68971	2.6
71.01363	6.5
72.37914	3.2
76.46470	2.5
85.02973	3.7
89.02460	6.1
95.65314	3.4
98.22684	6.8
101.02439	6.7
113.02468	4.2
113.09533	2.6
145.67644	2.4
231.17384	3.6
315.26712	3.0
343.26382	3.5
359.25787	4.4
369.24329	8.3
387.25473	22.8
405.26480	18.2
421.20029	3.4
430.87036	2.6
456.22583	2.7
570.10339	3.2
617.45715	2.9
623.34399	100.0
624.34735	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	666.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
61.52800	2.9
61.98833	6.5
64.17170	3.3
69.06603	23.3
71.01385	10.8
89.02437	4.4
99.13927	4.0
101.02454	12.9
113.02496	5.2
235.08353	4.7
343.26694	3.9
359.25842	5.5
369.24329	9.3
387.25381	33.4
405.26648	20.3
540.51392	4.0
623.34369	100.0
624.34814	11.7
667.24213	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	667.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.5
71.01389	16.2
75.00865	3.7
81.03455	1.1
81.41248	0.9
83.01412	0.9
85.02966	2.5
87.00852	1.8
89.00350	1.7
89.02477	1.9
92.63519	0.8
93.03487	0.9
96.96019	1.3
97.65183	0.8
99.00890	1.4
100.93307	1.0
101.02414	1.4
106.00612	1.5
108.64426	0.8
115.00374	8.8
119.05041	15.5
121.02964	28.9
123.00903	1.8
133.01407	1.4
133.02925	4.0
134.03757	3.7
135.04552	4.1
138.03200	3.4
143.03481	0.9
149.06017	0.9
153.05588	26.2
161.02466	17.9
161.04568	2.5
162.02800	1.9
163.02736	1.9
163.04030	29.7
177.05627	1.0
179.03572	5.7
179.05614	15.3
182.02222	4.1
191.05623	12.8
193.05038	7.0
197.04564	100.0
198.04881	2.4
221.04712	0.9
221.10371	0.8
313.05783	6.7
325.09265	5.1
341.08804	5.2
341.67282	0.8
353.09015	1.7
405.69949	1.0
505.15530	1.6
554.09894	1.0
571.20795	1.0
667.20557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34423	0.5
59.01371	2.1
60.96574	0.5
61.98813	0.8
62.19597	0.5
66.63972	0.5
71.01389	12.1
72.78651	0.5
73.82223	0.5
79.27912	0.5
82.45744	0.5
85.02931	1.1
89.02478	1.3
95.01408	0.8
98.22681	1.4
113.02500	0.7
115.00382	10.0
117.03488	0.5
117.40281	0.6
121.02976	3.7
123.00902	7.1
133.01476	3.2
138.03235	2.3
145.02980	1.8
153.05586	3.0
166.99829	6.6
179.03400	0.6
182.02226	19.1
183.02530	1.1
197.04561	56.2
198.04929	1.7
206.07362	1.1
207.08142	2.2
209.06137	0.7
218.79462	0.6
222.06857	0.7
223.07690	2.4
233.06105	0.8
234.06870	1.6
235.07695	4.1
246.06622	0.7
250.06409	0.8
251.07135	17.4
251.09779	0.9
252.07397	0.7
261.05637	1.3
262.06317	3.0
263.07111	8.1
264.07852	4.3
267.06699	0.9
277.08859	0.9
278.05984	1.0
278.09494	1.4
279.06638	23.1
279.09851	1.1
280.07071	1.4
282.09058	0.9
293.08252	1.5
294.09033	8.3
295.06137	8.8
295.09351	0.8
297.84506	0.6
306.05423	1.9
307.06213	4.9
308.06882	1.6
309.07764	0.7
309.11176	0.8
309.85120	0.5
310.08429	4.1
321.07651	1.5
322.08444	9.1
323.05615	27.0
323.08914	1.8
324.06015	1.1
337.07361	1.5
338.07953	19.2
339.08426	1.2
353.10309	100.0
354.10654	7.0
380.82919	0.8
434.11703	0.6
604.77875	0.6
650.47437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83907	0.8
53.66526	0.8
59.01386	6.2
67.36189	0.8
69.20108	4.4
71.01381	4.0
72.99314	0.9
73.02953	1.9
75.00877	15.5
75.93687	0.7
81.03461	3.1
85.02969	2.5
87.00875	4.0
89.02465	2.3
96.96022	2.3
99.00883	3.2
99.04546	2.5
101.02447	1.4
115.00393	1.0
119.05035	50.7
120.05359	1.4
121.02975	0.9
123.30388	0.7
132.02191	0.8
133.02963	11.6
134.03734	2.9
135.04533	5.5
143.03516	4.1
149.06035	1.1
161.02458	43.6
161.04482	9.7
162.02925	1.4
163.04022	100.0
164.04390	1.9
177.05582	1.5
178.02832	1.2
179.03537	11.3
179.05627	49.4
180.05830	0.8
193.05038	5.6
197.04608	1.8
200.30484	0.7
203.03658	1.4
221.04584	1.5
251.05843	1.0
253.45697	0.9
325.09283	17.4
341.08789	21.9
578.40027	0.8
613.51965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
71.01389	20.0
83.01421	1.1
83.28967	0.7
84.13342	0.6
85.02947	4.4
87.00875	1.6
88.19370	0.6
89.02454	13.8
95.01382	0.7
97.91607	0.6
101.02441	5.7
113.02452	5.6
115.00380	6.9
117.34478	0.6
119.03523	6.7
119.05044	1.6
120.79561	0.6
121.02949	3.8
125.28723	0.6
131.03528	1.2
133.01433	2.1
133.02971	2.2
134.03755	37.4
135.04546	1.9
136.01657	1.8
136.04875	0.8
137.02449	4.9
143.03485	2.7
145.02965	1.2
146.03717	0.6
147.04553	1.5
149.02431	1.4
149.06096	11.3
150.03157	1.1
153.05627	1.6
161.02460	1.9
161.04579	2.0
162.03229	8.5
177.05559	6.4
178.02727	21.4
179.03444	2.3
179.05615	8.7
182.02217	0.8
191.02046	0.7
192.04282	8.3
193.05080	100.0
194.05426	1.8
196.93335	0.6
197.04616	3.2
282.09103	2.0
285.43564	0.7
297.11441	2.7
327.12476	4.0
341.10391	3.0
353.10233	3.7
357.12067	1.7
359.09689	1.5
371.11276	3.0
372.10516	0.8
412.32983	0.7
438.27255	0.6
551.17621	3.5
652.20715	0.6
667.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70563	1.7
59.01387	15.6
67.44437	1.6
67.44833	1.6
69.30469	4.2
69.30887	4.3
71.01383	11.9
83.01406	1.8
85.02946	10.9
86.83725	1.6
89.02434	3.4
101.02451	3.1
111.77828	1.6
113.02465	15.1
117.03455	3.8
119.77371	1.6
121.02964	3.0
122.03709	2.8
123.04548	21.9
125.02425	2.3
132.02176	24.5
133.02942	2.9
134.03754	52.4
135.04480	3.3
143.03479	8.4
149.02417	5.8
149.06085	4.8
150.03230	21.7
151.04024	38.5
160.01674	79.0
161.02422	8.7
161.04593	5.2
163.04089	1.8
175.04010	100.0
176.04401	1.6
178.02711	5.2
183.06546	2.2
193.05083	95.0
194.05421	3.0
205.05109	1.8
251.70761	1.6
265.07144	2.1
337.09265	3.1
339.10938	3.5
340.62991	2.4
420.69894	1.6
459.15115	18.5
483.15085	6.2
491.17825	3.5
635.19922	39.1
667.22003	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	667.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01384	100.0
60.99332	1.5
61.98838	1.3
69.33091	5.0
69.33503	3.3
71.01390	27.3
72.99326	1.7
73.02943	8.0
83.01371	6.0
85.02953	14.7
87.00878	2.5
88.98816	3.5
89.02448	12.5
94.36691	1.1
95.01382	4.2
96.01428	1.4
97.02958	2.4
99.00891	3.0
101.02457	14.1
113.02456	24.8
119.03514	3.7
124.01700	2.2
125.02457	6.2
129.01997	1.5
133.02975	2.0
134.03749	3.2
135.04543	1.6
143.03534	3.5
160.01648	3.9
161.02440	4.1
161.04575	4.8
162.02684	1.3
175.03987	4.4
179.03465	1.9
179.05545	1.7
193.05016	4.3
286.50906	1.3
299.63330	1.5
315.18109	3.1
333.19153	1.4
441.21130	1.5
459.22418	26.1
460.22598	2.6
477.23459	62.6
478.23541	2.6
495.24500	15.5
507.27994	1.8
519.24469	10.8
537.25671	14.3
551.22974	4.4
667.22052	2.5
686.54877	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	667.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03445	0.5
59.01094	1.3
59.01385	18.7
63.71742	0.5
71.01385	10.4
71.40948	0.6
73.02950	2.1
83.01392	1.3
83.33054	0.5
85.02955	3.2
89.02459	5.6
93.10966	0.5
100.62490	0.5
101.02456	6.9
111.08177	1.6
113.02460	3.4
118.94895	0.5
119.03522	2.2
125.09748	2.0
134.03758	0.8
135.04556	0.6
143.03546	0.6
153.09207	2.3
161.02367	1.1
161.04539	0.5
171.10280	15.8
179.03502	0.9
185.11853	0.9
193.05162	0.6
203.05647	1.5
213.11343	1.0
221.06557	1.1
225.11311	0.5
263.07748	1.6
333.15561	100.0
334.15973	3.7
431.53595	0.7
656.43201	0.7
667.22528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90384	0.6
61.98835	100.0
69.89142	2.1
139.63974	0.6
145.69827	0.6
147.92834	0.6
171.10332	1.9
209.53011	0.7
246.01482	0.6
246.09016	0.8
277.21887	1.1
529.22906	1.1
530.22595	0.7
591.55951	0.7
646.25116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01381	6.3
71.01392	5.0
71.39549	0.7
73.02958	0.9
85.02953	3.3
87.00906	0.9
89.02464	2.4
101.02460	2.7
105.03449	0.8
107.05024	0.7
109.03008	0.6
113.02435	1.6
117.03500	1.9
121.02956	2.6
122.03774	0.9
123.04528	1.0
132.02202	2.7
133.02974	41.3
134.03775	3.8
135.04544	21.8
137.02444	0.9
139.04036	1.6
149.06131	1.7
161.02463	100.0
162.02827	2.4
165.05606	1.9
175.04015	0.7
177.05560	4.3
178.02798	0.9
179.03525	20.8
191.02060	1.0
193.05083	1.9
194.16457	0.6
203.03418	1.0
220.03804	0.8
221.04561	7.6
221.06529	0.8
237.15024	0.6
251.05632	3.9
257.12842	1.2
281.06686	6.5
281.13901	4.2
323.07736	2.3
341.08694	1.8
345.11020	0.9
345.15393	1.3
384.43677	0.7
409.11249	1.3
489.14725	1.3
507.15085	1.4
507.21539	1.5
669.20398	85.0
670.20685	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	669.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06887	0.9
52.04103	0.9
55.49350	1.1
59.01381	5.3
61.98830	4.9
66.71296	0.9
69.05083	5.8
71.01373	2.8
74.46494	0.9
81.03449	5.6
85.02930	1.2
89.02418	2.5
95.01387	1.1
109.02965	1.5
113.02446	3.5
116.92825	1.6
118.87553	1.1
119.03519	1.0
121.02927	1.1
121.06594	1.1
122.03748	6.0
125.02415	2.3
131.03500	1.2
133.06602	3.6
134.03760	20.2
135.04579	5.1
137.06094	9.2
148.05264	1.4
149.06088	40.5
150.06369	1.3
161.02502	1.1
162.03168	1.1
174.06825	1.9
175.03986	1.0
176.04787	1.4
177.05574	17.7
178.02740	1.2
187.07591	1.4
193.05072	28.3
194.05496	1.4
201.09222	2.2
213.09207	1.4
215.07130	3.3
215.10545	1.0
216.07841	1.2
226.06242	1.3
228.04280	3.7
230.09395	1.6
231.10271	1.6
233.06757	1.4
239.06978	1.1
241.08644	4.5
243.04283	2.1
243.06650	33.7
244.07300	3.4
247.46175	1.2
258.08972	100.0
259.09741	89.6
260.10031	2.3
271.09747	2.2
301.10849	2.9
403.13956	3.3
421.15036	12.8
463.16132	62.2
464.16034	3.0
489.20227	1.4
658.78253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
59.01381	19.4
59.55822	0.4
61.06949	0.4
61.98828	1.4
62.19927	0.4
65.37597	0.4
68.96278	0.4
69.56637	0.4
69.56967	1.6
71.01392	7.9
73.02949	2.5
76.01714	0.4
83.01373	1.3
85.02956	3.5
86.00117	0.5
87.00890	0.8
89.02453	2.7
95.01389	0.7
99.00912	1.1
101.02454	6.1
105.03467	0.5
107.05031	1.3
109.02951	0.5
111.00845	0.7
113.02461	3.6
117.03456	0.8
119.03484	1.0
121.10277	0.5
125.02468	2.3
132.02177	1.9
133.02972	26.8
133.32643	0.4
134.03694	1.6
135.04544	9.0
143.03532	1.0
148.87248	0.4
149.06120	0.4
161.02463	100.0
162.02812	1.8
177.05586	1.4
179.03513	8.1
221.04553	2.6
251.05547	0.8
281.06689	2.2
308.09891	0.4
312.53149	0.5
317.19696	0.6
323.07776	1.1
335.20624	0.8
341.08853	0.8
345.15567	7.8
461.23965	6.2
463.19913	2.4
479.24936	13.9
489.17712	22.1
490.17902	1.0
497.25922	3.2
507.18723	69.8
508.19019	4.5
521.26105	2.9
539.27264	2.9
583.25214	0.5
669.23987	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	669.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95110	1.6
55.01883	2.4
57.03440	2.3
59.01387	54.5
66.56986	1.5
66.58195	1.6
67.13956	1.3
71.01387	38.3
71.05013	1.2
71.37981	1.7
72.99310	1.2
73.02952	9.8
83.01389	4.3
85.02963	12.6
87.00862	2.5
89.02455	28.5
95.01370	5.0
97.02950	1.8
99.00882	3.4
99.04498	2.6
101.02446	26.9
113.02457	24.6
117.05607	2.4
118.98109	1.6
119.03517	9.6
125.02493	1.9
127.00404	2.1
131.03458	2.0
133.02919	1.4
134.03767	3.7
143.03508	4.0
149.04533	2.1
159.02997	1.8
159.61824	1.7
161.00995	2.3
161.02411	6.0
161.04570	6.9
161.08209	16.6
165.09206	3.2
165.56569	1.7
179.05583	5.9
183.10316	3.0
193.05026	8.9
203.05553	1.4
266.34625	1.3
305.90811	1.5
341.10794	11.1
345.15570	100.0
346.15823	2.9
431.74677	1.5
495.18686	3.2
507.20844	55.0
508.21451	2.4
510.64795	1.9
535.23871	1.6
669.19873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03447	1.7
59.01385	34.7
71.01389	28.1
72.99318	1.0
73.02954	7.4
76.09253	0.7
83.01389	4.3
85.02959	12.3
86.03336	0.8
87.00884	2.4
89.02450	15.3
95.01417	2.8
95.89867	0.7
96.95980	0.6
97.02916	0.7
98.95544	0.6
99.00907	2.7
99.04473	0.5
101.02453	22.9
111.00892	0.7
113.02460	11.8
119.03506	6.1
121.10236	2.2
124.68993	0.6
125.02484	1.2
131.03508	1.2
133.02982	5.0
134.03752	0.9
134.81633	0.5
135.04489	1.6
143.03540	1.2
159.03102	0.9
161.02483	11.8
161.04535	4.4
165.09239	0.7
177.02048	0.7
179.03474	1.2
179.05612	4.9
191.01936	0.9
193.05048	1.1
221.06717	3.1
253.98030	0.6
296.61011	0.5
345.15555	100.0
346.15884	3.8
369.15610	0.9
419.26407	0.7
453.30307	0.9
462.23145	0.6
507.20853	22.2
508.21179	1.1
621.21393	1.0
669.20074	8.9
670.20325	0.9
694.76575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03450	1.2
57.77180	0.4
59.01384	39.3
61.98835	2.2
69.03471	0.6
69.30660	2.1
71.01390	11.5
72.99306	0.4
73.02953	3.8
78.65136	0.5
81.03442	0.5
83.01395	3.5
85.02955	5.9
86.00114	0.4
87.00883	0.8
89.02456	2.8
95.01395	1.0
95.05003	0.4
96.05368	0.4
97.02954	1.6
99.00890	1.6
101.02454	8.4
105.03445	0.7
107.05042	1.2
111.00890	1.2
111.32713	0.4
112.01675	0.8
113.02463	5.1
115.04056	0.5
117.03477	1.1
119.03575	0.8
121.10225	0.9
123.69987	0.3
124.01655	0.9
125.02452	5.0
130.63324	0.4
132.02173	1.5
133.02966	30.6
134.03706	1.6
135.04546	9.7
136.01781	0.5
143.03522	1.8
149.06154	0.8
151.04050	0.5
159.03015	0.7
160.01685	0.7
161.02460	100.0
162.02785	2.4
177.05580	1.9
179.03522	7.1
221.04572	2.5
237.78349	0.5
251.05675	1.2
281.06680	2.3
282.03174	0.4
317.19818	2.4
323.07712	1.7
335.20740	1.6
341.08746	1.1
345.15561	7.1
346.15567	0.5
358.13669	0.7
392.13623	0.4
443.22693	0.7
461.23929	13.3
462.23865	0.9
463.19586	2.3
479.24991	29.1
480.25403	1.9
489.17706	20.9
490.18094	1.3
497.19241	0.7
497.26083	8.3
507.18738	63.5
508.19229	4.5
509.28040	0.7
521.26001	4.9
539.27075	7.8
540.27252	0.6
669.23834	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	669.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47898	1.4
55.01880	5.8
56.83854	1.7
57.03444	6.6
59.01384	97.7
61.98815	3.4
63.78109	1.5
68.99833	1.8
69.03449	3.9
69.21489	9.2
71.01388	89.0
72.99315	1.9
73.02950	37.0
75.19183	1.7
81.03459	2.2
83.01394	24.8
83.05005	1.5
85.02475	2.7
85.02962	41.6
87.00880	8.1
89.02455	23.5
93.53783	1.6
95.01386	8.4
97.02969	10.6
99.00890	13.6
99.82227	1.4
101.01806	3.2
101.02451	57.5
105.95044	1.5
109.02989	3.5
111.00854	3.3
113.02462	41.1
115.25449	1.5
116.84539	1.5
119.03497	5.3
125.02462	18.8
127.00384	6.8
127.11441	1.5
131.03503	5.7
133.02960	20.8
134.03745	6.3
135.04546	30.5
143.03502	9.5
149.04562	7.0
149.05977	2.7
159.03008	4.6
161.02466	68.4
161.04523	25.8
162.02846	2.9
168.33492	1.6
175.03960	2.3
177.05556	4.4
179.03513	33.1
196.53589	1.5
221.04674	4.0
236.94313	1.5
251.05525	4.1
258.79483	1.6
280.04831	1.8
281.06656	6.2
289.16599	27.7
323.07709	14.3
331.17538	2.8
341.08899	10.5
345.15512	6.8
347.17041	7.3
421.20828	25.6
433.20837	35.0
451.21713	14.6
452.21811	2.1
479.24750	4.8
493.22873	11.1
497.26083	3.3
507.18738	10.3
539.27039	5.9
554.21362	1.7
565.25104	44.3
566.25305	2.2
583.26135	100.0
584.26385	6.6
625.27185	16.7
669.23810	9.3
681.58313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57526	0.6
53.35600	0.6
55.08416	0.6
73.02956	1.2
75.97190	0.6
85.93670	0.6
96.23237	0.7
98.22617	1.9
126.73538	0.8
200.20198	0.7
438.13373	0.9
450.13513	0.8
451.13968	1.1
452.14807	4.5
480.14340	2.0
481.15015	9.4
482.15576	1.9
495.16800	17.1
496.17010	2.1
508.18384	3.3
509.18329	1.4
521.15344	1.1
521.80103	0.8
523.20135	1.3
533.18683	0.9
535.16205	2.0
536.16937	3.4
540.16608	4.3
551.19421	45.7
552.19574	7.0
553.17993	0.8
554.18066	3.2
555.19073	0.8
572.15375	2.1
586.17285	1.6
595.18469	7.2
596.18359	1.5
627.21014	100.0
628.21167	17.2
670.21887	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	670.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85740	0.1
56.03571	0.1
59.01381	0.5
61.98835	100.0
69.27555	0.3
69.27959	0.7
69.34673	0.1
71.01409	0.3
83.61397	0.2
85.02959	0.2
89.02458	0.3
98.50034	0.2
102.26463	0.1
113.02474	0.8
131.03583	0.2
134.03761	2.0
135.04047	0.7
149.04558	0.4
149.06090	0.2
178.02725	0.2
179.03310	0.2
193.05064	3.5
194.05385	1.2
233.06696	0.2
437.06702	0.2
453.31137	0.2
519.71362	0.2
607.22339	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	670.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61609	0.5
51.48637	0.6
58.02964	1.9
65.36852	0.5
69.39817	0.6
69.81179	0.6
69.81502	2.0
78.38051	0.5
92.89017	0.6
96.68198	0.6
97.65357	0.6
127.59550	0.6
128.10832	7.3
130.08746	100.0
142.23643	0.6
165.12856	2.0
175.40752	0.6
237.28143	0.7
322.20236	66.3
323.20465	2.3
325.25061	0.7
410.72198	0.7
537.28619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30705	0.7
57.03447	0.9
57.98310	0.8
58.00578	1.2
59.01384	78.0
59.50343	0.8
59.97425	0.8
65.49348	0.7
67.50168	0.7
69.10620	5.2
69.15171	0.8
71.01387	55.4
72.39989	0.7
72.99306	1.2
73.02959	6.5
79.37022	0.9
83.01385	2.1
85.02957	7.8
87.00878	3.5
88.99319	0.8
89.02449	63.6
95.01400	3.5
96.96031	0.9
99.00845	0.8
101.02449	33.6
102.05625	1.4
107.03466	0.9
109.04060	0.7
109.88120	0.7
113.02459	19.2
115.44797	0.9
119.03505	10.8
125.02450	2.0
127.05132	1.0
128.03555	1.4
131.03506	4.0
143.03510	6.4
145.06197	11.1
146.04608	1.6
146.06541	1.2
147.06630	1.5
149.04555	1.8
149.06143	1.2
161.04590	13.2
179.05623	100.0
180.05917	1.7
191.05598	1.6
192.53024	0.8
221.06682	21.0
281.08743	4.1
305.08875	1.0
341.10941	13.3
463.56653	0.9
491.17715	1.7
671.24115	19.4
672.25000	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	671.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11389	0.4
55.01886	0.4
59.01380	4.4
69.03454	0.5
69.11426	1.9
69.11843	1.0
71.01385	3.8
73.02953	1.6
80.34970	0.4
81.09367	0.4
83.01395	1.2
85.02959	3.9
89.02480	1.0
95.01388	0.6
97.02921	0.5
98.21791	0.7
99.00892	0.7
101.02476	3.9
105.03480	0.6
113.02457	2.0
115.00396	0.7
117.03522	1.0
123.04543	1.8
123.95451	0.4
130.13655	0.4
131.63229	0.5
132.02199	1.1
132.10727	0.4
133.02968	26.6
134.03813	0.7
135.04546	6.6
149.06091	0.9
155.10820	1.1
161.02457	100.0
162.02794	1.9
167.07144	0.7
174.09433	0.5
179.03513	3.8
180.97412	0.4
184.23288	0.4
191.01956	0.6
211.06018	0.5
323.07559	0.8
347.17038	6.5
465.21613	2.1
491.19247	21.9
492.19662	1.0
509.20306	56.6
510.20743	4.3
555.21252	4.7
566.66870	0.5
671.25494	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	671.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59433	0.4
57.03445	0.6
59.01390	4.9
62.73117	0.3
67.92586	0.4
69.03454	0.5
69.31754	0.8
69.32148	1.3
71.01390	5.2
73.02946	1.7
83.01402	1.5
85.02953	3.3
86.00105	0.4
89.02470	1.1
95.01395	0.6
95.05008	0.7
98.21848	0.7
99.00887	0.8
100.00414	0.3
101.02444	4.1
104.65649	0.3
105.03459	1.2
108.19032	0.4
113.02467	2.4
117.03465	1.0
120.06781	0.4
123.04543	1.1
132.02164	2.0
133.02969	31.0
134.03835	0.8
135.04550	5.8
143.03522	0.4
149.06032	0.5
160.01669	0.6
161.02460	100.0
162.02789	1.7
175.04013	0.5
177.01939	0.9
179.03534	4.2
209.03009	0.7
213.14909	0.7
323.07788	0.5
347.17068	6.5
465.21417	2.3
491.19272	20.6
492.19586	1.2
508.03934	0.5
509.20309	62.3
510.20630	2.9
555.20721	2.9
610.35815	0.5
621.87396	0.5
671.25757	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03445	1.7
58.00596	0.6
59.01384	22.1
64.23909	0.4
68.99792	0.6
71.01385	20.8
72.99314	0.8
73.02572	0.6
73.02949	7.7
75.00864	0.8
83.01391	5.7
84.23241	0.4
85.02956	12.4
85.06129	0.4
86.00102	1.4
87.00878	2.4
89.02448	6.7
95.01373	1.6
97.02972	1.3
99.00880	3.3
101.02448	23.1
110.28321	0.4
111.00906	0.9
113.02451	8.6
119.03493	1.8
125.02454	1.1
129.01932	0.9
131.03459	0.7
137.24377	0.4
141.01942	0.4
143.03488	0.9
159.03011	1.0
161.02399	1.1
161.04535	2.9
179.05658	2.8
185.11832	1.7
191.01985	0.8
193.04950	0.6
199.31088	0.3
211.13420	0.6
221.06683	1.5
263.07779	0.6
303.18060	1.6
307.12704	0.4
329.15982	0.8
341.10956	1.3
347.17111	100.0
348.17426	5.0
389.18332	0.5
415.45416	0.4
491.21326	0.8
497.20178	1.0
509.22412	20.7
510.22980	1.0
671.20874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.87374	0.9
57.03437	3.7
59.01386	43.8
69.90638	1.0
71.01388	37.1
72.99323	1.9
73.02955	9.6
83.01395	6.6
85.02962	16.7
86.00114	1.4
87.00878	4.0
89.02452	21.1
95.01389	3.9
97.02946	1.4
99.00874	2.8
101.01803	1.9
101.02453	31.9
111.00854	1.0
113.02462	16.7
114.40969	0.9
119.03515	6.9
122.26067	0.9
131.03523	1.7
143.03479	2.0
161.02457	2.7
161.04646	5.7
166.99638	0.9
172.88594	0.9
179.05640	13.2
185.11862	1.9
231.05670	1.0
329.16068	8.6
341.10901	59.0
342.11212	1.2
347.17130	100.0
348.17487	5.2
389.18109	6.9
415.64587	0.9
449.20251	2.2
458.04160	1.0
509.22467	10.8
671.28210	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	671.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33297	14.3
60.06096	13.7
61.74216	13.4
61.98832	47.4
65.73634	18.6
68.66225	15.5
69.16975	100.0
77.03162	13.6
78.95908	19.9
83.68885	15.6
86.06310	15.9
114.44791	15.2
143.10767	20.7
158.76033	13.9
213.90173	15.5
256.71442	17.0
366.94583	16.2
448.83200	17.2
634.82489	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	671.402
Annotation	Guineamide D
Peak:m/z	Relative Intensity
53.43467	0.8
59.01381	6.5
61.98823	1.2
70.50613	0.8
71.01377	3.0
71.40885	0.9
75.02890	0.8
81.25848	0.8
85.02956	3.6
86.08011	0.8
87.00847	0.9
89.02458	2.1
96.25154	0.7
99.92537	0.8
101.02439	1.3
113.02446	1.6
116.92870	6.5
149.06096	4.5
150.06882	47.1
151.07245	0.9
161.02428	1.2
161.09802	0.9
163.07671	9.7
164.08472	8.1
176.08507	1.5
177.09114	0.9
178.10014	3.1
179.10794	14.8
207.10236	0.9
209.11751	2.0
225.11418	1.5
286.50339	0.8
327.21301	0.7
327.25345	1.6
329.23383	7.7
448.31876	6.7
462.33463	1.6
463.34354	11.5
490.33099	2.5
491.33929	3.8
508.33914	3.0
509.34921	31.5
510.35095	3.3
567.36218	0.9
595.55994	0.9
671.40204	100.0
672.40472	10.9
683.25598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01754	2.6
70.77887	2.9
70.78247	2.6
80.32245	2.2
81.21439	2.1
85.02934	3.5
88.62972	2.0
89.90159	2.1
107.01408	3.0
150.95601	1.9
151.00412	12.0
161.02490	2.2
163.00383	2.5
166.97351	2.0
173.13499	2.4
178.16628	2.0
178.99904	4.0
179.03404	3.5
179.96875	2.2
211.79924	2.2
243.02936	9.2
248.52301	2.1
255.02969	20.1
271.02512	42.1
272.02722	2.6
300.02774	75.7
301.03537	28.3
609.14636	100.0
610.14740	10.6
650.14532	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	673.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41711	13.7
52.89450	14.4
56.33995	13.5
59.01352	15.0
61.98832	21.7
69.12880	100.0
71.01391	24.7
92.14079	13.2
93.35448	13.1
98.22635	34.7
128.50916	13.3
167.10056	14.4
171.10268	33.4
209.11815	48.9
211.13457	38.2
223.13437	29.7
269.04791	16.1
559.55573	17.3
571.18579	16.4
599.30267	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	673.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
71.01383	14.2
72.97653	2.1
74.24607	1.7
85.03009	2.8
89.00350	2.3
89.02449	2.4
91.01880	2.4
101.02442	2.2
106.00597	2.9
111.21312	2.2
115.00363	8.9
121.02964	25.2
123.00854	2.7
138.03258	3.3
153.05580	24.8
158.49461	1.7
182.02290	4.4
197.04567	100.0
198.04892	3.1
229.20816	2.0
236.04921	1.8
251.58304	2.1
273.22049	2.0
289.13641	2.4
293.27301	2.0
313.05746	5.2
326.53406	1.8
332.91425	2.1
673.29218	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61404	23.7
57.56092	20.0
65.04729	20.2
68.29636	20.8
69.45992	100.0
98.22599	24.6
100.14203	22.2
105.17494	20.4
117.01911	20.5
163.04036	25.7
172.33733	23.3
197.04521	67.9
253.04091	23.8
452.49948	26.9
466.77618	23.5
491.62717	24.0
545.81427	26.9
689.60266	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	673.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17338	1.9
57.03450	2.3
57.91420	1.8
59.01384	24.5
69.31447	11.1
70.51568	1.7
71.01389	21.7
73.02956	6.3
83.01408	3.0
84.95104	3.9
85.02962	14.2
87.00890	2.7
89.02452	13.8
89.64777	1.9
95.01385	5.0
101.02455	7.9
113.02468	28.2
117.03495	2.3
119.03492	4.2
125.09695	2.3
129.01920	3.3
131.03560	3.5
132.02174	2.3
133.02979	32.5
134.03790	4.7
135.04526	10.5
149.04527	2.1
160.01711	9.8
161.02463	100.0
161.04599	6.1
162.02753	4.6
175.03995	8.7
177.05539	7.3
179.03575	3.1
179.05634	9.4
193.05112	4.4
204.39609	2.1
221.02811	8.6
221.06670	5.6
257.08554	2.6
263.12933	2.3
393.23456	2.1
543.20862	8.5
637.21472	56.3
638.21710	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	673.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91040	1.2
61.98814	2.9
69.48685	5.8
69.89480	1.2
73.02949	1.7
75.00893	2.2
127.03995	1.3
167.19244	1.4
178.29605	1.2
209.48785	1.2
218.88107	1.4
228.19023	1.2
267.89383	1.6
293.21210	2.4
353.18546	1.7
355.18329	4.9
443.01129	1.3
455.17068	1.6
468.11157	2.1
468.17316	1.6
473.18518	1.7
483.13260	1.6
483.20383	3.6
493.18961	2.2
507.15625	1.7
510.15381	5.5
511.14099	1.3
512.12982	1.9
526.14984	20.3
527.15363	3.9
550.15045	1.7
569.17072	6.8
570.17749	1.5
599.18054	2.1
673.21600	100.0
674.21893	11.1
703.26721	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	673.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56218	0.6
53.94217	0.8
57.16831	0.6
57.18324	0.8
57.90756	0.5
61.98835	5.5
67.71579	0.6
69.12574	4.5
73.02951	2.0
75.00870	2.4
103.00362	1.1
113.10706	0.7
118.22987	0.7
308.43655	0.8
329.57642	0.8
361.14139	0.8
424.75998	0.8
436.15878	1.0
450.15994	0.8
452.10614	1.7
454.16187	1.3
455.17242	1.8
466.16617	2.0
467.12964	1.9
468.10849	0.8
468.17734	1.6
469.18860	0.9
473.18332	1.5
478.16370	1.1
479.17072	2.4
481.19751	1.2
482.15860	0.8
483.13632	1.5
483.20364	4.8
493.18753	2.9
494.19568	1.3
495.12564	2.0
507.16806	1.6
510.15198	10.7
511.15903	3.2
512.13727	1.2
521.18390	2.0
523.16388	3.3
525.17871	5.3
526.14874	16.3
527.15283	2.9
537.18115	1.3
538.18591	4.1
539.19183	0.9
542.16516	1.3
550.15173	2.2
553.21222	1.1
565.17242	2.6
569.16809	11.5
570.17487	2.5
597.19971	1.1
599.18274	2.5
600.18726	1.2
629.22858	1.5
632.18115	0.8
641.18988	8.9
642.19672	1.7
673.21582	100.0
674.21912	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	673.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54618	5.1
61.98833	19.5
62.35007	5.5
64.60007	5.1
71.39713	8.0
78.95934	6.1
85.84161	5.6
98.05905	5.3
117.60865	5.3
131.17485	5.2
134.21060	6.1
143.96576	5.2
242.46397	5.7
270.49203	5.1
439.67874	5.5
439.73428	8.2
466.16510	9.5
467.17007	21.9
513.46454	5.7
522.15875	7.0
523.16492	7.4
526.18237	18.0
537.17712	16.9
541.20990	100.0
542.21313	10.1
558.17523	13.9
565.17065	9.4
569.26489	7.5
581.16754	7.1
582.17505	43.2
597.19739	22.0
619.81989	6.3
621.03650	6.2
641.18707	16.0
673.21490	68.8
674.21564	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	673.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34950	0.7
57.41185	0.7
59.01380	4.4
70.06037	0.8
71.01379	3.0
73.02969	1.3
83.01361	0.9
85.02959	2.9
101.02444	1.7
105.03500	0.8
108.02183	3.0
109.02998	1.6
113.02483	0.7
113.22360	0.7
114.07915	0.7
115.00372	0.8
117.03466	2.2
121.02986	1.1
122.80531	0.9
132.02132	2.0
133.02968	36.8
134.03767	2.2
135.04550	9.5
149.02487	3.8
152.01184	2.6
153.02090	0.8
161.02457	100.0
162.02783	2.7
163.04156	1.1
164.04800	3.3
179.03571	4.8
209.11850	10.1
211.13416	1.7
223.06186	7.8
227.12912	3.0
315.07275	4.0
339.07217	1.5
383.06284	1.7
456.47531	0.9
513.27319	2.4
629.29730	54.3
630.30206	5.2
638.27362	0.9
673.28247	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00181	1.0
57.03429	1.3
59.01384	7.5
71.01389	5.5
73.02937	1.7
85.02946	2.0
87.00893	1.1
89.02460	2.6
97.06524	1.0
101.02460	3.6
113.02450	2.8
115.04119	0.9
148.35727	0.8
161.04626	1.7
165.12860	10.4
183.13910	100.0
184.14265	3.3
207.10271	1.2
209.11823	6.4
211.13402	7.9
225.11383	1.2
227.12955	8.4
235.08226	1.3
253.09277	3.4
365.96689	1.1
425.18423	1.0
445.20761	1.8
463.22107	6.5
496.95856	1.1
511.28973	1.1
619.31329	2.7
629.35767	5.8
637.32214	1.6
655.33374	3.6
673.34460	73.3
674.34827	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	673.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
59.01382	55.6
61.98804	1.9
70.51798	2.0
71.01389	23.9
73.02950	41.1
73.59470	1.2
77.33256	1.1
77.33701	1.0
83.01401	8.0
85.02959	6.2
89.02437	7.3
95.01363	1.1
99.77050	1.3
101.02448	26.9
105.05029	1.2
113.02441	7.0
119.03519	3.0
143.03506	2.4
155.03517	1.4
161.04564	2.9
214.22218	1.1
237.34578	1.4
331.11111	1.3
451.32150	19.5
452.32425	1.8
469.33231	3.2
613.37488	4.8
631.38702	5.8
673.39587	100.0
674.40051	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	675.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13513	1.8
50.82742	1.4
57.03466	1.9
59.01387	14.0
69.95966	1.6
71.01388	17.3
71.39674	1.9
73.02942	2.6
80.91687	29.6
82.95422	19.5
85.02961	18.6
87.00888	2.3
89.02435	8.6
95.01414	7.1
97.02968	5.4
101.02464	4.3
113.02454	41.1
121.02988	1.9
123.04533	12.0
134.03708	2.1
135.04524	30.6
153.05600	32.4
161.04582	1.8
170.70221	1.6
185.71730	1.8
191.05644	3.4
192.69194	1.7
193.03456	3.2
205.01225	5.2
207.02763	7.1
235.04669	6.2
271.05972	2.7
289.06909	2.1
315.10773	3.9
319.08038	31.6
337.08942	17.1
461.16736	6.3
483.14551	23.8
593.11139	2.2
593.20905	83.0
594.21436	6.7
615.18805	100.0
616.18878	6.4
617.67761	1.8
676.64301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.7
59.49830	0.9
62.06550	0.6
69.03452	0.7
69.39561	1.8
69.39960	1.2
71.01385	8.4
72.99305	1.5
73.02957	2.7
79.04227	0.7
83.01402	1.2
83.97078	0.7
85.02961	6.0
86.00074	0.8
87.00880	4.1
89.02454	5.0
89.03991	0.9
95.01408	0.9
97.02970	2.6
99.00893	1.7
101.02471	5.1
110.00116	0.9
111.00907	8.3
113.02449	5.2
117.03506	3.9
125.02412	1.0
127.04012	1.2
128.03558	2.3
131.03514	8.1
132.02190	21.9
133.02962	0.9
134.03754	46.8
141.01907	1.2
149.04671	1.7
149.06079	3.8
155.03569	2.1
160.01675	72.3
161.02173	1.7
161.04570	1.8
164.69821	0.7
167.03629	0.8
173.04562	1.9
175.04022	100.0
176.04385	2.8
178.02719	2.0
191.05630	3.1
193.05075	55.8
194.05321	1.3
221.06728	2.4
249.05499	3.0
367.12387	1.4
389.10849	1.8
397.11346	1.1
419.12134	0.9
481.15781	1.1
499.16800	5.8
543.17542	1.8
556.94690	0.7
647.59131	0.8
675.21472	44.8
676.21735	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	675.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38170	0.9
57.03457	0.9
59.01377	11.6
61.63898	1.0
61.82572	1.0
69.93957	2.5
71.01398	9.9
72.99291	1.4
73.02953	3.9
83.01380	2.7
83.35365	1.2
85.02969	8.8
87.00895	3.8
89.02450	5.8
97.02948	2.8
98.21948	2.3
101.02457	4.8
109.02937	1.2
110.15132	1.2
111.00887	7.2
113.02467	5.8
117.03469	3.8
127.04025	1.4
128.03545	2.1
131.03510	9.2
132.02184	22.9
134.03758	47.4
149.04576	2.2
149.06104	3.2
155.03511	1.5
159.16081	1.2
160.01674	77.1
161.02480	1.2
161.04590	4.3
175.04016	100.0
176.04338	3.8
178.02812	2.1
190.70174	0.9
191.05626	3.4
193.05077	62.0
221.06683	2.9
268.93695	1.2
290.58859	1.2
331.10062	1.4
348.38751	1.3
367.12421	3.1
389.11206	1.2
397.11774	1.4
461.17200	1.4
481.15698	1.4
499.17102	5.4
507.49457	1.1
515.47772	1.2
532.73932	1.1
543.17145	1.6
584.65912	1.4
623.71021	1.2
675.21490	49.5
676.21899	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	675.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.4
60.02658	0.4
63.59997	0.3
65.56770	0.4
69.20220	2.1
71.01390	6.3
73.02942	2.2
78.60499	0.4
82.91156	0.4
83.01400	0.6
85.02962	3.3
86.00129	0.5
87.00882	1.9
89.02446	2.5
99.00878	0.5
101.02449	4.2
105.03458	0.7
107.05013	0.4
109.02969	0.5
113.02444	2.6
117.03489	1.1
123.04538	0.6
127.04020	1.0
129.02019	0.4
131.03526	2.8
132.02188	2.2
133.02972	35.6
134.03673	1.4
135.04541	9.2
161.02458	100.0
162.02794	2.3
175.04033	0.5
179.03516	4.5
182.94299	0.4
191.05717	0.9
191.27216	0.3
210.89839	0.4
235.11877	3.9
273.29813	0.4
345.41763	0.3
381.17703	0.9
397.68567	0.4
415.38995	0.4
468.87613	0.4
513.22095	1.7
543.20782	0.8
675.25110	55.6
676.25543	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	675.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13405	2.2
57.71302	2.2
59.01381	7.1
70.23201	2.3
71.01374	4.8
73.02950	24.3
76.24529	2.1
85.02943	3.0
85.06461	2.0
86.22123	2.0
88.98820	3.2
94.06638	7.6
107.03797	4.6
110.06092	5.3
122.06131	29.9
124.33776	1.9
129.67822	2.4
130.06683	2.8
133.01454	2.8
134.06152	3.5
144.04491	4.9
160.04089	2.9
161.02457	3.7
161.04854	3.0
162.02853	2.4
162.05635	2.7
168.04300	2.4
173.04826	3.8
174.05630	5.5
176.47649	2.4
192.06764	4.1
194.08264	6.1
201.10336	8.2
203.05881	8.1
209.11856	18.5
210.12198	7.6
211.13379	4.0
213.10301	10.6
223.08688	3.9
225.10263	5.5
227.12798	3.5
228.83545	2.2
237.10464	5.7
239.08403	2.6
239.11682	2.2
249.10422	4.6
250.07629	2.3
251.08331	3.5
251.11868	4.0
252.08971	3.5
253.09410	2.4
263.08340	7.1
264.08957	3.6
265.09787	8.5
267.11438	3.3
276.08939	3.3
277.09955	11.5
278.10532	14.1
279.11417	7.2
279.15024	2.7
291.07761	5.4
291.11087	2.5
292.08530	5.9
293.09271	6.3
295.10898	2.3
297.12430	9.9
298.13330	2.4
299.14005	91.3
300.14282	7.0
305.09326	4.3
306.10324	2.4
307.10883	5.8
307.14404	4.0
309.12436	3.3
310.13440	2.9
313.12976	2.3
314.12823	3.2
318.15762	3.6
319.10699	3.5
325.11966	29.4
326.32217	2.1
328.14490	3.8
329.15421	6.0
330.16095	7.1
333.08783	19.3
334.09457	2.6
337.11929	32.1
338.12634	5.3
340.11002	5.4
341.11624	6.0
342.12201	4.7
343.12927	11.0
344.13919	3.3
344.17749	7.2
351.09854	2.6
351.13586	9.3
356.14261	10.6
365.11459	33.5
366.07547	2.5
366.11951	7.0
370.15707	3.9
382.12009	6.4
383.12131	3.1
383.16299	26.0
384.13330	3.1
388.16626	7.6
396.13608	3.5
397.14124	8.1
398.15155	15.6
403.19034	19.1
404.19739	32.6
411.15778	3.5
414.14948	4.8
429.16910	3.1
430.17902	10.5
440.42917	2.4
442.17499	4.8
470.17184	12.2
471.17886	8.0
472.18619	3.1
488.18396	5.9
502.19852	5.1
503.20697	3.7
507.20438	3.6
513.25159	6.3
515.28442	10.0
520.20630	18.4
522.22662	10.9
525.25531	16.8
534.22491	45.5
535.22919	2.7
538.21997	4.7
543.26300	33.6
544.26404	3.1
551.23071	3.2
552.23560	84.5
552.32281	4.0
553.23724	9.9
567.26019	5.2
569.24615	3.6
581.23950	12.1
582.25348	2.4
593.24036	41.4
594.24622	6.9
611.25171	83.5
612.25470	10.2
613.26733	12.4
625.26630	38.9
626.26886	4.9
628.64105	2.5
643.27747	100.0
644.28052	10.3
675.29193	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	675.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44548	14.6
56.84997	14.4
59.01391	22.3
61.54950	14.9
61.98825	15.4
69.18765	76.6
71.01382	28.8
88.21177	16.2
88.55462	14.9
121.02959	21.3
211.13583	24.4
251.11963	21.5
262.86060	17.4
312.60873	20.8
446.26566	17.7
619.31348	20.5
621.32825	100.0
675.31073	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
56.33812	0.4
56.43473	0.4
57.03455	1.9
58.00600	1.1
59.01385	65.5
63.33726	0.4
65.42295	0.4
66.08953	0.4
69.03468	2.2
71.01389	42.8
71.34665	0.4
72.99319	1.7
73.02948	7.6
74.18287	0.4
74.57598	0.4
75.00892	0.8
76.61893	0.3
81.03449	2.2
83.01400	5.5
83.05055	0.4
85.02958	8.3
86.00135	0.6
86.35342	0.4
87.00880	9.1
89.02453	37.0
91.04012	0.7
93.03466	0.5
95.01396	3.0
95.05058	0.5
97.02959	6.6
99.00905	2.8
99.04518	0.7
101.02453	34.1
103.00340	0.4
109.02989	1.0
111.00897	0.9
111.04553	1.4
113.02462	17.6
115.04028	1.0
119.03513	11.3
121.02936	0.8
124.01656	0.5
125.01538	0.8
125.02457	14.8
127.04053	0.4
127.07705	0.7
131.03539	1.6
133.05087	1.0
139.04015	1.1
141.02039	0.6
143.03528	7.2
149.04581	1.5
161.04585	7.6
167.03543	0.7
169.05099	0.6
179.03424	0.4
179.04008	0.5
179.05640	6.6
185.04622	1.3
188.33096	0.4
197.04103	0.4
199.06306	0.6
213.08217	0.4
217.07201	1.4
221.06638	2.9
233.49142	0.4
235.08253	15.1
245.06641	0.6
253.09277	3.7
259.20755	0.5
263.07703	1.8
264.55405	0.4
275.20206	0.5
277.09351	1.7
277.21744	100.0
278.22034	4.2
287.07776	4.0
291.23267	0.6
305.08813	4.4
323.09839	1.7
379.12476	1.0
397.13522	83.0
398.13965	2.6
415.14581	37.2
416.15054	1.2
452.10559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03452	1.7
58.00605	0.9
59.01383	63.9
68.86837	0.3
69.03456	2.3
71.01385	41.8
71.33897	0.4
72.99316	1.8
73.02951	7.8
75.00883	0.7
75.33121	0.4
78.95920	1.0
79.57030	0.4
81.03448	2.0
83.01395	4.6
83.05035	0.5
85.02957	8.5
87.00881	10.5
87.01398	0.7
89.02448	34.6
91.04029	0.9
95.01408	2.1
97.02962	8.3
98.22273	2.8
99.00893	1.7
99.57903	0.4
101.02448	34.0
103.00333	0.6
103.04012	0.4
109.02986	0.7
111.00861	0.7
111.04538	1.5
113.02459	16.8
115.04036	0.7
119.03507	11.3
121.02943	0.9
123.04576	0.5
125.02462	14.6
131.03526	1.9
133.05057	1.2
137.02484	0.4
139.04016	1.2
141.01968	0.5
142.39537	0.4
143.03525	6.5
149.04561	1.5
151.27867	0.4
152.99602	1.2
161.04559	8.2
169.04994	0.4
171.03020	0.5
179.05626	6.8
185.04454	0.6
199.06110	0.5
203.05569	0.4
217.07094	0.8
221.06653	2.8
233.22670	0.6
235.08221	14.2
245.06668	0.8
253.09259	3.8
263.07764	2.2
277.09338	1.4
277.21741	100.0
278.22015	2.7
286.55042	0.4
287.07758	3.7
291.23236	0.5
305.08823	3.4
323.09860	2.1
361.11249	0.8
379.12256	0.9
397.13513	81.0
398.13879	2.1
415.14587	34.6
416.14886	1.0
593.27356	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	677.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
69.82900	3.9
70.60012	4.0
70.85686	7.6
71.01391	29.0
71.67806	3.9
79.73767	4.3
81.00666	3.9
85.02950	12.7
96.96019	4.9
101.02438	4.1
107.05032	13.7
113.02451	6.8
115.00359	10.0
121.02962	35.2
146.71271	4.0
151.04007	10.4
153.05609	24.4
159.03043	3.6
159.11136	3.5
161.04726	4.3
182.02271	4.9
187.13123	3.8
191.05629	3.6
197.04558	100.0
209.03072	6.0
259.03687	4.4
273.52551	4.1
300.87363	4.5
313.05792	7.0
313.09189	10.6
323.53821	4.1
363.12991	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	677.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86413	0.7
59.01382	5.9
61.68170	0.6
66.32817	0.6
71.01379	3.7
73.02939	1.0
77.06686	0.6
78.25449	0.7
85.02956	2.3
89.02459	1.5
101.02461	2.0
113.02478	3.2
117.03472	23.9
118.03835	0.8
119.05039	7.2
128.75572	0.6
145.02963	100.0
146.03299	2.0
163.04031	6.0
193.05029	0.7
205.99837	0.6
223.05928	0.7
384.46457	0.7
389.89749	0.8
430.69376	0.7
487.18057	2.5
504.47357	0.8
633.21832	22.3
634.22546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43548	0.3
59.01386	6.6
69.03469	0.4
69.67902	0.6
71.01392	2.7
73.02940	1.3
79.95937	0.3
83.01374	0.7
85.02531	0.3
85.02962	2.2
87.00877	0.4
89.02448	1.3
95.01399	0.4
96.95977	0.4
97.02950	0.5
98.21982	0.6
101.02441	1.4
113.02447	2.8
117.03477	27.6
118.03855	0.4
119.03545	0.6
119.05035	6.4
119.59517	0.4
124.28364	0.3
125.02414	0.4
137.06100	1.4
145.02966	100.0
146.03310	2.3
155.03612	0.4
161.02429	0.6
163.04033	6.4
179.03494	0.7
187.13425	0.6
191.01836	0.4
211.13365	0.4
257.12802	0.5
281.10217	0.3
469.17255	0.4
487.18323	1.6
524.66431	0.5
633.21881	23.0
634.22034	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	677.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83038	0.2
59.01382	7.5
61.98851	0.3
69.03464	0.4
71.01383	4.1
71.39368	0.3
73.02959	2.0
76.06942	0.3
77.89599	0.3
82.04159	0.3
83.01405	0.6
85.02966	2.2
86.05607	0.3
89.02455	1.4
95.01395	0.5
97.02975	0.3
99.00896	0.3
101.02428	1.4
105.03444	0.6
113.02457	3.2
116.92880	0.3
117.03500	1.4
118.37921	0.3
125.02457	0.9
132.02184	2.2
133.02969	33.2
134.03705	0.9
135.04527	4.4
135.85240	0.3
143.03484	0.4
155.03548	0.5
160.01659	2.0
161.02457	100.0
162.02788	2.0
175.03970	2.2
179.03493	1.8
193.05118	0.5
203.05576	0.6
211.01288	0.3
469.29575	0.6
471.31076	0.4
473.28302	0.3
475.20837	0.3
496.20395	0.3
505.01794	0.3
515.30139	0.9
538.26099	0.3
540.17755	0.3
591.21246	1.6
593.76013	0.3
633.21912	36.8
634.22308	3.7
635.18481	0.3
677.34515	1.5
677.44476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.32133	1.4
59.01382	38.5
61.98832	2.2
66.43524	1.3
70.30063	1.3
70.61134	1.5
71.01387	12.0
73.02950	26.7
83.01379	6.7
85.02966	3.2
86.62334	1.5
101.02449	24.4
113.02480	3.8
119.03534	1.7
131.03552	2.1
134.03798	1.8
143.03552	3.0
155.03589	1.6
161.02370	1.7
161.04536	5.2
179.14697	1.4
181.12358	100.0
182.12648	5.2
193.04962	2.0
195.13969	4.4
203.05646	3.8
221.06657	2.1
223.13397	7.2
263.07794	1.9
265.14496	2.4
311.39658	1.4
427.19827	7.0
473.32733	3.3
503.78424	1.3
541.46826	1.6
677.33875	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54164	6.4
75.99696	5.1
94.95183	5.0
97.13073	5.1
98.21978	4.7
105.19035	4.6
106.61800	5.4
112.61264	5.2
127.93253	4.9
151.73642	4.6
152.57999	4.9
171.84729	5.2
183.13902	6.1
211.13425	100.0
211.45367	4.8
218.63710	5.3
447.22366	13.5
469.72842	6.2
540.70526	5.4
623.34448	27.6
641.35657	12.8
677.32819	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14861	30.7
84.40479	30.3
85.02954	100.0
90.30177	28.9
132.58054	28.5
171.10254	51.0
191.01895	50.7
211.13461	70.6
224.76831	31.4
225.00754	32.2
251.27287	29.4
267.96866	34.7
371.41797	35.7
515.60266	35.8
677.34430	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35033	0.8
55.01880	0.9
59.01385	50.4
60.68467	0.9
61.98849	1.4
69.03482	1.6
71.01390	34.7
72.99335	1.4
73.02950	6.7
78.95912	3.4
81.03452	1.5
81.67647	0.8
82.16609	0.9
83.01376	3.1
85.02961	9.1
87.00890	8.5
87.04512	0.9
89.02452	29.6
89.08090	0.9
95.01350	2.1
96.95990	2.0
97.02971	5.2
99.00875	1.4
101.01810	1.7
101.02454	27.8
113.02456	11.8
118.94204	1.7
119.03505	10.8
125.02465	11.2
131.03516	1.8
141.02223	0.9
143.03506	4.7
152.99590	3.4
161.04559	7.3
179.05675	4.6
199.56384	1.1
221.06619	2.3
235.08266	10.8
241.01251	1.1
253.09369	3.5
263.07681	1.0
277.21793	1.6
279.23315	100.0
280.23578	4.0
287.07672	3.5
305.08987	4.3
323.09656	1.2
397.13544	70.8
398.13904	3.4
415.14584	30.6
416.15054	1.1
456.40109	1.1
595.28986	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
59.01385	53.5
59.85499	1.1
60.44781	1.1
66.51773	1.0
69.03451	2.6
71.01389	34.4
73.02954	6.5
78.95906	7.2
81.03451	1.7
83.01389	5.0
85.02978	5.7
87.00883	7.0
89.02454	29.6
91.04037	1.2
95.01394	3.2
96.96954	2.0
97.02979	6.3
99.00896	2.7
101.02449	28.0
109.02941	1.1
113.02466	12.7
114.74595	1.1
119.03499	10.5
125.02464	10.2
125.66850	1.0
131.03557	1.3
143.03494	4.9
152.99600	7.0
160.84250	2.6
160.92903	1.1
161.04562	6.7
162.83963	5.2
171.33347	1.2
171.35234	1.1
179.05641	5.6
221.06689	2.0
235.08266	12.2
241.01221	3.1
253.09285	4.1
263.07715	1.7
277.09357	2.4
277.21640	6.2
279.23300	100.0
280.23706	6.6
287.07770	2.9
305.08835	3.9
323.09946	1.2
397.13507	78.6
398.13733	3.5
415.14587	35.4
415.20148	1.8
593.27271	10.3
595.27985	3.2
644.96088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
59.51331	0.2
71.01369	0.3
72.31596	0.2
74.81164	0.2
81.03463	7.2
82.06612	0.5
83.05032	19.4
84.05344	0.4
101.02420	0.3
107.06160	0.4
108.04566	0.6
109.78623	0.2
110.33134	0.2
113.02467	0.2
125.07248	0.9
126.05600	0.5
133.02928	0.4
143.08253	0.7
151.61887	0.2
154.18739	0.2
161.02457	1.0
167.14767	0.2
196.61409	0.2
199.18109	0.2
207.15053	1.8
224.17693	3.1
225.16096	12.9
226.16478	0.4
242.18768	1.0
250.15544	0.3
290.22314	0.4
309.21860	0.8
324.26477	0.5
333.22934	0.8
336.12314	0.2
341.29199	0.9
351.24185	0.2
367.27115	1.3
433.31952	1.3
434.32028	0.2
450.34564	1.5
451.32932	6.1
452.33194	0.5
550.43622	1.0
559.40112	0.4
593.43799	0.5
659.48621	1.3
677.49713	100.0
678.50006	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	677.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
59.51331	0.2
71.01369	0.3
72.31596	0.2
74.81164	0.2
81.03463	7.2
82.06612	0.5
83.05032	19.4
84.05344	0.4
101.02420	0.3
107.06160	0.4
108.04566	0.6
109.78623	0.2
110.33134	0.2
113.02467	0.2
125.07248	0.9
126.05600	0.5
133.02928	0.4
143.08253	0.7
151.61887	0.2
154.18739	0.2
161.02457	1.0
167.14767	0.2
196.61409	0.2
199.18109	0.2
207.15053	1.8
224.17693	3.1
225.16096	12.9
226.16478	0.4
242.18768	1.0
250.15544	0.3
290.22314	0.4
309.21860	0.8
324.26477	0.5
333.22934	0.8
336.12314	0.2
341.29199	0.9
351.24185	0.2
367.27115	1.3
433.31952	1.3
434.32028	0.2
450.34564	1.5
451.32932	6.1
452.33194	0.5
550.43622	1.0
559.40112	0.4
593.43799	0.5
659.48621	1.3
677.49713	100.0
678.50006	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	679.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01374	4.2
70.66124	2.0
71.01373	4.1
72.99270	1.1
73.02939	1.7
75.00879	6.3
85.02964	12.1
87.00888	3.6
93.03469	2.0
96.96032	1.6
99.00895	1.6
99.04550	1.0
101.02451	3.4
107.70725	1.0
110.46684	1.1
111.04502	1.4
113.02466	1.1
119.05042	16.2
127.04022	1.6
129.02003	1.1
133.03014	2.0
134.03769	5.3
135.04503	1.0
147.03023	1.5
149.06084	1.5
160.01627	1.7
161.02461	2.6
161.04593	2.4
163.04027	31.2
163.05397	1.5
175.03917	2.3
177.01988	1.6
179.03984	1.7
179.05623	17.0
191.01962	4.3
191.05629	100.0
192.05992	3.3
193.05083	6.1
206.00464	1.0
209.02959	1.5
224.11731	0.9
251.35437	1.1
275.71353	0.9
275.97009	1.0
325.09372	5.8
353.08768	13.2
356.37558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.7
60.12500	0.6
67.07588	0.8
69.12384	3.8
71.01386	4.3
71.81703	0.6
73.02954	2.4
73.34379	0.6
85.02962	3.1
89.02457	2.8
89.03960	0.7
98.22684	1.1
99.00875	4.7
101.02459	2.0
107.05035	2.7
111.37566	0.7
113.02474	2.7
117.03475	1.1
119.03513	1.0
119.05042	2.2
128.00613	0.6
131.03528	0.9
132.02225	1.5
133.02969	18.3
134.03757	8.2
135.04536	100.0
136.04861	1.7
137.06113	0.8
161.02463	52.2
162.02809	1.0
179.03523	58.0
180.03717	0.9
185.35461	0.6
191.02086	0.6
193.05104	0.7
305.12561	0.6
307.06195	1.3
314.74548	0.6
337.10916	0.8
374.91873	0.7
392.04047	0.7
473.16348	1.4
593.18726	1.8
614.63348	0.6
635.19849	43.0
636.20740	3.6
636.29993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2095
Annotation	Scabran G3
Peak:m/z	Relative Intensity
59.01382	7.2
70.76113	0.5
71.01386	5.0
73.02938	2.7
83.01413	0.7
85.02949	3.8
87.00882	2.3
89.02454	3.0
95.01428	0.6
96.96012	2.7
101.02440	3.4
111.00900	2.6
113.02470	3.0
116.00808	0.6
117.03437	1.0
123.04498	0.7
131.03529	4.6
132.02171	1.5
133.02971	32.4
134.03845	1.5
135.04541	9.6
136.04895	0.6
149.04579	1.0
155.03535	0.9
161.02458	100.0
162.02776	2.6
173.04616	1.3
175.53586	0.7
179.03511	5.8
191.05670	2.1
193.05083	1.3
221.06738	1.1
281.96271	0.7
298.22644	0.7
466.53601	0.7
499.16626	1.4
529.15460	1.3
661.19910	68.4
662.20111	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	679.2093
Annotation	Scabran G3
Peak:m/z	Relative Intensity
52.20629	0.5
59.01385	6.6
67.08349	0.5
71.01387	5.0
71.12446	0.5
71.12769	0.5
73.02928	1.9
85.02959	2.8
87.00877	2.0
89.02456	3.0
95.01394	0.7
97.02960	0.6
98.21900	0.6
99.00861	0.7
101.02449	3.1
105.03452	0.9
109.89877	0.5
111.00886	2.2
113.02480	2.2
117.03497	0.9
123.04601	0.5
127.03990	0.8
131.03529	5.3
132.02193	2.1
133.02969	34.5
134.03665	0.9
135.04541	10.5
136.04866	0.6
144.73424	0.5
149.04578	1.0
155.03511	0.7
161.02457	100.0
162.02818	3.4
173.04518	1.0
179.03519	4.5
191.05655	1.4
221.06648	0.6
266.25949	0.5
302.13699	0.5
346.06339	0.5
396.71777	0.5
499.16766	1.8
525.74133	0.5
661.19897	61.7
662.20227	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	679.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09059	0.9
53.99561	0.9
57.03448	1.3
59.01386	59.9
61.94344	1.0
67.26245	1.1
71.01388	24.3
71.42030	1.2
72.99307	1.2
73.02950	19.5
80.66386	0.9
82.95421	1.3
83.01392	4.4
85.02959	10.5
89.02451	8.2
95.01416	1.5
96.96004	10.9
99.00903	1.7
100.93343	1.9
101.02444	18.9
113.02455	7.8
115.00391	1.8
115.92099	1.1
116.92899	1.1
119.03517	4.6
121.04025	1.0
121.10222	1.8
129.01920	1.7
132.02190	2.1
133.01407	2.7
133.02966	25.2
134.03723	4.7
135.04541	49.1
136.04874	2.0
143.03642	1.5
149.02441	1.2
149.04478	1.4
160.01674	4.8
161.02461	100.0
161.04581	4.4
161.09874	1.2
162.02791	4.2
165.09248	3.0
175.04016	2.4
177.01907	2.0
177.05577	2.6
177.40945	1.0
178.02684	1.1
179.03513	96.4
180.03856	4.3
183.10211	6.2
193.05110	1.4
199.31477	1.1
201.14545	1.1
203.03516	1.9
207.10269	1.9
218.53995	1.1
221.04578	2.2
221.06563	2.1
263.07574	2.4
301.16586	1.7
306.07516	1.3
308.45316	1.0
323.07462	1.3
327.14407	1.9
337.09128	1.7
339.08859	6.7
341.08817	23.4
342.09036	1.5
345.15448	4.6
357.09790	4.3
369.15521	1.9
387.16617	93.5
388.17126	6.1
399.10385	1.2
411.16342	1.2
429.17572	1.7
475.22568	1.2
517.13538	18.8
518.13947	1.8
519.15344	6.2
704.42834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
57.03451	0.5
59.01382	15.4
61.45911	0.3
69.03465	1.0
69.19135	0.6
69.19540	1.3
71.01383	10.1
73.02946	2.9
79.95738	0.4
81.03465	1.1
83.01397	1.4
83.05041	0.6
85.02954	4.9
87.00903	0.5
89.02439	2.3
89.03981	0.8
95.01385	1.3
97.02968	1.1
97.29043	0.3
98.21882	0.6
99.00885	0.7
101.02460	2.2
107.05060	0.5
113.02458	8.9
117.03506	1.6
119.03515	0.7
123.04532	9.7
124.04919	0.4
125.02458	2.1
132.02184	26.1
133.02988	3.1
134.03752	19.1
135.04541	17.4
136.04861	0.6
137.02403	0.4
143.03503	1.0
149.06097	2.1
153.05595	10.5
155.03551	1.6
157.06615	0.8
160.01672	87.2
161.02466	12.7
161.04518	0.7
175.04013	100.0
176.04358	3.2
178.02774	1.6
179.03523	1.2
193.05074	16.6
194.05367	0.7
194.43118	0.3
203.05524	0.5
211.06110	0.9
211.65489	0.3
221.02800	6.7
297.09882	1.5
315.10876	2.6
327.92648	0.3
357.11935	1.3
443.15637	0.7
461.16663	3.0
485.16626	2.1
486.16895	0.3
503.17770	39.1
504.18124	3.1
533.16669	0.7
575.53815	0.3
629.35303	0.3
635.28302	0.3
637.21228	1.5
660.49011	0.3
678.50165	3.0
679.22430	52.0
680.22784	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01384	15.4
71.01018	1.1
71.01389	10.9
72.99317	1.0
73.02941	2.5
83.01360	0.9
85.02958	12.7
87.00872	0.9
87.79772	0.6
88.98839	0.7
89.02460	4.4
95.01394	3.5
98.22641	1.4
99.00877	0.8
101.02457	4.0
109.02853	0.6
113.02464	21.6
114.55226	0.6
117.03486	2.5
119.03541	1.7
123.04539	8.9
124.15026	0.6
127.04008	1.2
132.02196	25.8
133.02979	8.1
134.03755	28.4
135.04546	19.0
136.04871	0.8
143.03502	1.1
149.06097	2.9
153.05598	10.0
155.76207	0.7
156.41103	0.7
160.01674	94.0
161.02472	28.2
161.04556	1.6
161.44585	0.6
162.02815	0.7
175.04018	100.0
176.04382	3.2
178.02748	2.0
179.03561	2.1
193.05069	21.9
193.06775	1.4
285.02524	0.7
297.09793	1.5
315.10956	3.7
443.15637	2.2
448.72354	0.7
455.31799	5.9
458.64941	0.7
461.16711	17.6
462.16937	1.3
473.32837	8.4
475.18665	0.8
491.15643	3.9
503.17642	8.5
504.18484	1.3
517.31744	0.7
549.83789	0.8
559.32965	1.1
619.20477	4.7
637.21405	46.8
638.21808	5.9
679.22485	28.2
679.31818	0.5
679.71814	1.5
680.22772	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	679.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01382	11.1
64.91685	0.6
71.01386	9.8
73.02963	1.2
83.01365	0.8
85.02962	11.9
87.00878	1.2
89.02434	3.8
89.03986	1.0
95.01404	3.1
101.02451	2.5
101.60862	0.5
109.02985	0.6
113.02458	18.0
117.03483	2.3
119.03487	1.1
123.04530	9.1
124.04905	0.6
127.03994	1.2
132.02191	25.5
133.02992	5.5
133.76303	0.6
134.02728	1.2
134.03752	25.3
135.04550	18.5
136.04865	0.8
143.03535	1.7
145.02982	1.6
149.06085	2.3
153.05573	11.1
160.01672	91.1
161.02469	22.2
161.04550	1.3
162.02718	0.8
175.04016	100.0
176.04364	3.0
178.02771	2.0
179.03534	4.0
193.05070	21.3
194.42886	0.5
211.06148	0.6
251.54778	0.6
265.07172	0.8
297.09747	0.8
315.10861	3.8
358.26917	0.6
405.28586	0.7
441.39020	0.6
443.15463	2.3
461.16653	18.5
462.17126	1.2
471.97952	0.6
491.15747	3.0
503.17798	10.0
619.20300	4.9
637.21423	47.4
638.21759	5.4
651.22754	1.7
679.22455	28.7
680.22754	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	679.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01384	12.3
68.66232	0.8
69.21432	1.3
69.21833	3.2
71.01391	11.8
83.01397	1.0
85.02959	11.0
88.44239	0.7
89.02451	4.5
92.29376	0.8
95.01398	3.9
97.02946	0.9
101.02442	2.6
109.59787	0.8
113.02466	18.0
117.03485	1.6
119.03490	1.8
123.04532	6.9
127.03988	1.0
132.02180	21.1
133.02992	7.1
134.03760	21.5
135.04536	17.6
143.03534	0.9
149.06055	2.0
153.05576	9.5
160.01669	82.2
161.02464	25.3
161.04582	2.1
162.02850	1.1
175.04016	100.0
176.04369	3.0
178.02740	1.8
179.03474	3.4
193.05072	19.3
194.05371	1.4
266.11740	0.9
315.10764	3.2
334.48920	0.9
431.89691	0.9
443.15399	2.5
461.16650	14.9
462.16879	1.3
491.15622	1.8
503.17734	9.7
619.20258	3.1
637.21417	35.5
638.21893	3.0
651.23053	2.3
679.22327	26.1
679.32751	1.3
679.71814	3.4
680.22272	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	679.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
58.13263	1.5
59.01384	100.0
62.44056	1.4
69.03468	4.7
69.35307	7.4
71.01387	65.6
73.02939	12.4
77.69014	1.5
80.55495	1.4
81.03460	3.1
83.01398	5.0
85.02956	23.1
87.00885	12.0
89.02450	53.5
95.01411	6.0
97.02958	6.4
101.02453	33.5
113.02462	37.0
119.03507	19.6
121.02971	1.8
125.02462	21.5
127.04014	3.3
131.03549	3.7
134.03729	14.6
138.80606	1.9
143.03519	5.5
149.04674	2.8
149.06136	4.3
152.04819	3.9
160.01643	7.2
161.04593	10.2
167.07198	3.9
175.04030	7.2
179.05615	14.8
185.34288	1.5
193.05067	8.9
207.84369	2.1
221.06659	6.4
226.42963	1.7
237.92261	1.7
241.11992	1.8
249.66997	1.6
310.76578	2.0
329.12408	1.5
379.50308	1.5
457.17209	3.3
473.16879	6.6
475.18494	2.8
491.17773	26.4
492.18271	2.0
619.22443	47.0
619.32190	2.6
637.23547	94.6
638.23914	6.0
648.69879	1.6
679.24622	55.8
680.24884	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03447	3.9
59.01386	100.0
65.02815	1.6
69.03463	7.4
69.18252	8.3
71.01389	73.4
72.99310	2.4
73.02953	12.1
73.03307	1.7
81.03478	2.2
83.01413	5.0
85.02960	27.7
85.24658	1.5
87.00893	12.7
88.30702	1.6
89.02457	58.8
95.01405	6.8
97.02948	7.1
99.00848	2.3
101.02459	35.6
108.45889	1.4
109.02950	2.2
113.01719	2.7
113.02467	35.4
114.02821	1.7
119.03490	19.9
121.02943	1.7
125.02460	25.6
127.04025	3.5
131.03540	5.4
133.01447	3.3
134.03773	8.5
135.04570	2.7
137.06110	1.8
139.04031	2.6
143.03514	6.2
149.04541	1.6
149.06140	4.4
152.04807	4.3
161.02441	6.9
161.04567	10.6
167.07115	4.9
179.05617	11.4
182.64796	2.0
191.02037	4.7
209.03067	2.7
221.06633	3.8
275.09442	1.9
324.06067	1.8
329.12561	1.9
339.08777	4.6
387.16718	3.1
457.17227	2.1
473.16653	5.4
475.18439	3.7
491.17786	20.3
519.15045	3.9
604.68524	1.8
619.22546	44.4
620.22992	3.5
637.23499	98.2
638.24225	7.7
679.24597	53.1
680.25177	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	679.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.79213	1.4
57.03449	2.5
59.01382	100.0
69.03462	2.9
71.01384	69.2
72.99309	2.4
73.02958	14.2
81.03488	2.2
83.01410	4.4
85.02957	27.5
87.00880	17.1
89.02452	60.5
95.01381	5.1
96.96019	2.5
97.02954	6.1
97.99162	1.4
99.00882	3.4
101.02452	39.5
109.02972	2.7
111.00946	1.6
113.02460	35.8
119.03517	22.6
125.02465	23.2
127.04028	7.1
131.03502	5.2
133.03001	1.8
134.03738	7.4
137.06090	2.0
139.04048	2.9
143.03511	5.9
149.04596	2.2
149.06116	4.7
152.04823	2.9
161.02448	3.1
161.04581	11.1
167.07153	3.3
179.03584	2.6
179.05624	16.9
183.82585	1.3
191.01961	2.2
193.05118	1.6
209.63380	1.6
221.06709	6.2
244.17065	1.4
305.09052	1.9
325.03403	1.4
370.08997	2.1
457.17096	2.2
473.16721	5.1
475.18127	3.1
491.17679	25.5
619.22461	46.2
620.22919	3.7
637.23523	93.3
638.24219	7.8
679.24652	54.9
680.25574	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	680.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60081	25.7
61.98824	32.0
66.97462	24.6
69.23302	51.5
69.23703	100.0
98.22597	66.5
102.05643	74.5
118.20924	25.3
262.15875	28.2
487.80234	27.3
601.26227	33.7
636.77002	30.3
667.37750	28.6
709.25256	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53064	0.3
61.98835	100.0
134.66913	0.3
146.01198	0.3
152.07770	0.3
323.68250	0.3
443.82254	0.3
444.70801	0.3
461.96350	0.3
500.39783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47509	0.8
57.15806	0.7
101.09295	0.8
118.17780	0.9
120.99666	100.0
121.71710	0.8
153.00137	1.2
239.49835	0.8
317.07114	6.5
536.90186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60003	0.6
52.73462	0.6
53.00325	0.7
57.03464	0.7
57.16317	0.7
59.01087	1.5
59.01385	29.4
68.42506	0.6
68.99817	6.6
69.03460	0.6
69.08173	4.8
71.01386	23.1
73.02956	2.9
83.01409	1.4
85.02961	11.9
87.00890	13.0
89.02454	23.9
93.03461	1.5
95.01397	1.4
96.96030	1.0
97.02976	0.9
99.00855	1.3
101.02445	15.6
105.07108	1.0
107.05038	100.0
108.05373	1.7
111.00871	1.3
113.02453	10.4
113.81572	0.7
115.00319	0.8
115.05565	1.8
119.03532	7.0
119.05004	0.9
120.16863	0.6
125.02441	3.0
129.01939	0.9
131.03488	1.8
133.01431	2.2
133.02951	1.2
133.06604	20.9
134.03766	1.2
135.04523	2.9
143.03526	5.4
147.02957	0.7
149.04607	1.0
149.06029	0.7
150.14072	0.8
151.07664	21.8
159.03084	0.8
161.02440	2.4
161.04549	12.3
163.04045	1.0
167.07135	0.9
177.05591	11.8
179.03563	2.3
179.05623	17.4
191.01941	3.5
191.78786	0.7
193.02686	0.8
193.05046	1.6
193.48872	0.6
195.06633	27.5
197.28618	0.7
209.03006	1.7
223.06088	1.0
228.85757	0.7
236.83592	0.7
237.07660	2.1
277.05133	0.7
305.08890	1.3
323.09839	10.4
339.04691	0.8
339.10733	1.7
341.10910	35.5
342.11069	1.0
357.11917	45.2
358.12314	2.0
385.07764	0.8
399.13077	1.2
411.11475	40.1
412.11850	1.8
459.14127	0.7
501.16486	3.3
519.17236	21.3
621.14868	0.9
643.43683	0.7
663.20947	0.9
681.22150	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	681.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03444	1.9
59.01386	40.9
69.03470	1.0
69.61136	1.1
69.61533	1.1
71.01390	15.4
71.03970	0.4
73.02951	10.6
81.03471	0.5
83.01390	4.4
85.02954	11.2
85.03473	0.6
85.37959	0.5
86.00110	1.1
87.00888	1.0
89.02467	1.7
95.01376	1.8
96.96026	1.9
97.02962	1.0
98.22667	1.0
99.00887	2.4
101.02451	17.5
113.02460	8.2
119.03475	0.7
125.02453	1.5
131.03523	0.6
133.02950	1.5
134.03766	1.1
135.04527	1.6
143.03500	1.1
147.02950	0.5
159.03069	1.1
161.02451	4.1
161.04541	4.4
179.03513	1.4
185.11819	2.7
203.05659	0.6
209.11847	0.7
221.06674	1.3
249.52791	0.5
253.21460	0.6
263.07690	1.4
264.33786	0.5
269.00909	1.6
270.01089	0.6
303.18085	4.1
305.08817	0.8
315.34201	0.6
329.16019	4.9
347.17130	9.4
348.17526	0.8
371.17218	1.6
389.18201	100.0
390.18439	4.0
413.18222	1.1
419.03937	0.8
431.19116	1.7
526.62561	1.1
680.67804	3.7
681.18011	1.6
681.28107	0.8
681.67810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	(-)-Pinoresinol 4,4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	1.5
57.03458	1.2
59.01383	40.4
64.31640	1.0
69.03460	1.6
69.39879	4.9
71.01389	39.8
72.99314	1.2
73.02956	6.3
83.01411	4.3
85.02959	13.4
87.00901	4.0
88.98833	1.0
89.02446	22.7
89.02950	1.9
96.93461	1.1
97.02984	3.1
98.15887	1.0
99.00881	2.8
101.02441	24.0
108.02182	1.5
113.02469	17.8
116.96136	1.1
119.03482	7.7
121.02997	4.2
122.03780	1.5
123.00886	1.3
125.02544	1.4
126.76035	1.1
131.03548	3.7
133.03008	3.7
134.03798	2.0
135.04564	5.3
136.01669	81.9
137.02428	1.9
143.03496	9.6
151.04019	100.0
152.04411	1.8
159.03023	1.7
161.02415	7.4
161.04556	11.6
163.04048	2.1
175.04085	2.5
175.07658	2.6
176.04825	1.7
177.05705	2.0
179.03500	6.8
179.05678	3.8
187.04259	1.5
189.05602	1.5
203.07216	1.6
221.06670	9.4
228.33206	1.3
294.08984	1.3
323.10193	2.8
327.12659	4.8
339.12537	3.1
342.10947	5.6
357.13461	96.4
358.09915	1.3
358.14069	4.1
361.10828	1.3
364.53134	1.3
443.71780	1.3
501.17999	1.5
519.19073	2.0
681.24414	42.6
681.69312	3.3
682.24591	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	681.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78156	1.1
59.01381	2.1
61.98831	3.5
71.01372	1.1
85.02960	2.8
92.90651	1.1
96.96008	6.2
97.44535	0.9
116.92874	3.0
119.10019	1.1
122.06120	2.0
136.32076	1.1
169.06369	1.1
191.01923	1.5
200.36945	1.1
222.07950	13.9
236.09572	1.4
237.10329	10.8
249.06702	12.5
250.07448	12.2
254.06989	1.6
259.66586	1.0
262.07425	1.1
263.08499	2.5
263.11832	2.8
264.09048	7.4
265.09851	48.2
266.10153	3.0
276.08994	5.2
277.09845	7.4
278.10559	3.2
291.11426	4.7
297.12466	4.7
304.08640	5.3
309.12448	1.6
319.10870	28.1
320.11044	1.7
351.13510	84.8
352.13797	7.2
383.16141	41.6
384.16599	2.4
400.16522	1.3
418.17755	1.4
505.22293	3.8
523.23248	30.3
524.23419	2.4
594.98804	1.1
613.26678	2.2
615.28253	2.6
627.28265	20.2
628.28601	1.8
645.29333	100.0
646.29688	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	681.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60820	0.5
59.01364	1.2
61.96790	0.5
65.67068	0.4
67.88728	0.5
71.01389	25.8
73.02953	3.3
85.02970	2.7
90.34573	0.4
96.96034	0.8
100.52393	0.5
105.21275	0.6
113.02512	0.5
115.00386	11.3
133.02921	1.3
135.04538	3.5
137.09708	0.6
155.10786	5.4
161.02451	3.7
167.10828	3.9
179.03572	2.6
185.11844	100.0
186.12129	2.4
225.68170	0.5
259.09515	0.5
301.12961	17.6
448.16864	0.6
468.46088	0.5
565.19373	1.1
665.59601	0.6
681.26337	2.0
681.75555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.9
61.98823	3.3
71.01380	13.3
81.03458	3.3
83.05023	5.9
85.02999	3.9
87.00915	3.5
89.02444	5.6
92.28952	3.2
101.02437	9.9
110.32843	3.3
111.08166	5.9
113.02415	4.1
125.09701	4.2
151.11266	3.4
164.54964	3.1
171.10278	70.1
205.15894	4.9
209.11751	8.1
211.13379	7.3
215.14441	5.9
231.13866	5.5
233.15427	12.7
235.08211	5.6
249.14975	33.6
253.09297	6.7
263.56619	3.3
341.24954	4.3
375.82700	3.7
385.23758	17.9
403.24875	38.8
404.25467	3.9
421.26038	9.5
428.78882	3.9
593.20068	3.2
621.32898	64.3
622.33136	6.8
629.76471	3.9
638.34589	3.3
639.33820	100.0
640.34167	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	683.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
57.04686	0.4
59.01385	3.0
60.99310	19.3
66.01458	0.5
69.03457	1.0
70.20926	0.9
71.01381	1.9
72.10712	0.5
72.39996	0.5
72.99319	0.6
73.02957	0.9
75.47202	0.4
85.02959	1.6
87.00880	0.6
88.98813	100.0
89.02466	1.3
99.00913	1.2
101.02475	0.9
108.02165	1.1
113.02453	1.4
117.03432	0.6
119.05013	0.7
133.02936	0.8
134.89026	0.5
135.04568	1.5
139.11310	1.9
145.02969	2.1
151.00430	0.9
152.01158	2.2
161.02477	2.2
163.04097	0.5
164.57922	0.5
167.03522	2.2
179.03491	1.2
183.10277	6.6
187.93741	0.5
188.27945	0.5
191.02042	0.8
227.03520	5.6
229.05084	1.5
241.04990	0.8
255.02960	10.9
256.03662	1.1
257.04630	1.5
284.03287	16.0
285.04041	16.2
286.04495	0.7
342.74780	0.5
404.24936	0.5
455.15479	2.6
473.16675	2.8
479.17087	1.0
479.24005	0.6
593.13019	41.3
594.13281	3.4
627.29291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01372	1.0
60.99310	16.0
69.60714	1.0
69.61106	0.6
71.01376	1.7
85.02957	1.8
88.98809	100.0
89.02452	0.8
89.99170	0.6
95.01405	1.0
101.02488	0.4
104.19737	0.4
113.02466	2.8
122.19608	0.4
135.04507	3.4
136.71605	0.5
157.94881	0.4
225.93556	0.4
440.18484	0.5
461.16589	1.0
521.05469	0.5
543.22125	0.4
593.20874	24.3
594.21460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28087	1.0
59.01381	9.8
61.03900	0.9
65.85934	0.9
68.56949	1.1
71.01385	10.0
71.38808	1.2
73.02967	3.0
75.00925	1.0
76.38287	0.9
78.84775	0.9
83.01391	1.6
85.02940	6.4
87.00893	2.8
88.33912	1.0
89.00374	1.4
89.02458	3.4
89.22770	1.0
95.01405	1.3
97.02992	1.0
99.00921	1.1
101.02441	7.2
106.00616	1.7
113.02475	4.5
119.05067	1.1
121.02967	36.9
123.00918	3.1
125.02446	3.2
130.21385	1.1
133.02963	1.5
135.04529	3.0
137.02444	2.7
138.03229	4.8
139.03967	2.5
143.03563	1.2
153.05591	38.8
161.02470	2.3
161.04518	1.5
175.84418	1.0
179.03513	4.6
179.05650	6.2
181.01395	5.2
182.02222	10.0
183.02893	2.2
187.80246	1.3
191.02097	1.4
196.03810	5.8
197.04559	100.0
198.04915	2.5
198.57376	1.2
205.92349	1.0
211.06140	8.5
221.06709	1.9
224.03313	5.2
225.04065	1.0
239.05612	32.7
256.30713	1.0
269.06689	19.5
281.06631	1.2
299.07684	10.0
341.08984	1.6
359.09854	18.5
401.10886	21.2
402.11090	1.3
431.11984	25.2
461.13116	16.7
521.15216	6.6
563.16199	58.8
564.16638	2.3
593.17023	2.1
623.18463	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	683.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64735	1.1
55.01889	2.5
57.03438	2.4
58.00581	1.5
59.01384	79.3
69.51969	2.3
69.52357	2.0
71.01391	58.5
72.99284	1.2
73.02955	13.6
83.01385	3.7
85.02951	15.6
85.31400	1.1
87.00875	4.3
89.02451	63.3
95.01398	6.9
97.02917	1.6
101.02452	61.6
113.02463	29.8
116.77238	1.0
118.03046	1.1
119.03511	19.9
121.02956	2.5
123.00915	10.7
125.02496	2.2
127.09789	1.2
131.03519	6.4
135.04530	2.7
137.02481	1.7
138.03241	8.9
141.63062	1.2
143.03510	10.4
149.04541	2.6
153.05597	5.2
161.02386	3.3
161.04565	22.5
166.99884	16.3
173.85612	1.3
179.03601	2.9
179.05624	100.0
180.05922	2.0
181.01437	2.4
182.02231	65.2
191.02098	1.2
197.04567	97.8
198.04971	2.4
221.06677	32.6
239.05585	1.4
254.04384	1.5
269.06680	79.6
270.06952	3.9
281.08780	1.3
323.10022	1.7
341.11310	5.9
503.14124	1.3
521.12720	1.3
544.64917	1.2
683.20300	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85430	0.8
55.49053	1.0
56.46125	0.9
59.01382	53.6
61.01560	0.8
69.43746	4.2
71.01384	35.7
72.99326	1.1
73.02955	2.8
74.48576	0.8
75.00869	1.6
81.55323	0.8
85.02934	4.8
87.00893	2.6
89.02446	42.5
90.52030	0.9
95.01404	1.8
97.02914	1.0
98.22594	2.0
101.02439	17.0
105.25062	0.8
113.02450	15.3
119.03509	13.3
131.03513	2.6
143.03499	3.9
161.04544	6.1
179.05612	20.8
221.06625	1.4
222.34538	1.0
341.10883	100.0
342.11371	3.3
371.07672	0.8
423.66559	0.9
537.52612	0.8
654.29779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22891	0.7
57.03453	5.3
59.01376	5.2
60.33434	0.7
61.98555	1.1
61.98833	14.7
69.03465	1.1
69.04204	5.2
69.05445	0.7
69.60992	0.7
71.01371	2.8
73.02927	0.7
78.95869	1.2
83.05054	0.9
85.02963	1.6
87.00861	1.6
89.02449	1.7
95.05020	2.2
97.06599	17.6
101.02486	3.4
113.02441	2.3
114.42493	0.7
123.07391	0.7
123.08192	7.6
125.09734	78.8
126.10053	1.2
143.10805	1.3
145.05078	1.1
161.04556	1.6
168.22713	0.7
169.08623	1.3
187.09767	33.6
235.08269	3.0
253.09314	1.6
259.53830	0.8
277.21741	39.1
278.22083	2.1
405.17792	5.8
406.18182	0.8
423.18790	5.9
537.44702	0.8
639.97479	0.9
651.24518	2.8
652.25806	0.9
683.40100	100.0
684.40479	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	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
59.01382	7.7
69.83074	1.5
71.01388	5.6
71.05074	0.7
73.02959	0.9
73.08131	0.6
87.00864	0.9
89.02449	3.7
95.05045	1.7
97.06597	16.0
101.02460	3.3
113.02467	2.1
119.03516	1.0
123.08176	7.8
125.09736	99.9
126.10053	2.1
143.10811	1.8
144.88786	0.7
161.04565	1.2
169.08719	1.9
179.05737	0.9
187.09772	69.0
188.10071	1.4
211.09749	1.5
253.09294	1.9
255.23297	1.1
261.13528	1.3
276.93622	0.7
277.21765	15.1
278.22134	1.2
405.17703	6.2
423.18698	20.2
533.05426	0.8
555.20367	0.8
683.40137	100.0
684.40503	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	684.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37079	0.6
61.98824	1.0
98.22607	2.1
102.31767	0.6
103.53292	0.7
112.83376	0.6
148.11430	0.6
150.36711	0.6
160.55272	0.6
216.57507	0.8
236.08771	0.6
277.21924	1.1
438.13467	4.6
452.14908	2.0
481.15225	36.3
482.15375	4.0
495.16901	7.9
496.17245	1.4
503.61502	0.8
525.14453	1.2
539.15704	1.1
540.09106	1.4
540.16583	15.8
541.16840	2.0
554.18274	3.4
555.18884	76.8
556.19153	7.6
572.15521	9.9
573.15521	1.2
586.16986	3.5
609.19330	0.8
641.22540	30.0
642.23053	3.1
684.23163	100.0
685.23401	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	684.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	11.1
65.62802	5.5
68.01253	4.8
71.42319	4.9
71.74667	4.3
72.40063	4.3
74.13947	4.1
133.99052	4.6
139.14539	4.1
167.91112	5.0
202.74933	4.5
246.46956	4.7
266.67590	5.3
282.70453	5.5
346.85010	5.1
416.91995	5.5
434.40057	5.5
438.13364	6.4
481.15396	31.8
495.17032	9.2
540.16876	18.7
555.18884	74.1
556.19000	7.0
572.15985	9.7
641.22815	32.3
684.23145	100.0
685.24200	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	685.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58976	1.0
55.01883	4.5
57.03452	13.8
59.01373	2.0
61.98826	1.1
65.00320	3.0
67.01872	1.4
68.99816	1.1
69.03448	1.0
71.01382	1.5
81.03484	0.8
83.01392	16.3
84.02162	2.0
85.02957	100.0
86.03228	1.4
87.00880	0.9
91.01887	7.8
94.12827	0.7
95.01418	1.0
97.02939	1.3
108.01476	1.7
108.02179	23.7
109.02938	2.3
111.00888	33.7
113.02450	1.4
116.00572	0.8
117.03492	1.0
123.00920	2.1
123.04537	34.6
123.73090	0.9
124.01612	2.3
125.02462	1.7
129.01953	48.7
132.02200	6.9
132.76724	0.9
133.02960	5.2
134.03754	25.5
135.04568	4.3
136.01694	1.5
137.02460	3.5
147.03046	4.3
147.04643	0.9
149.06088	6.5
150.03273	2.4
151.04015	1.3
152.01170	36.0
154.99904	2.3
159.04419	1.3
160.01665	27.7
161.02457	16.4
161.04544	1.0
161.06081	1.1
162.03265	4.3
163.03990	1.4
164.04617	0.9
166.02649	2.2
167.03503	99.5
168.03827	1.5
173.00977	8.0
173.06071	1.8
174.03137	1.3
174.06834	1.1
175.04016	38.9
176.04671	2.6
177.05513	1.7
178.02748	1.9
179.03496	4.5
189.05548	2.6
190.06297	1.1
191.02063	1.3
191.07202	2.0
192.04262	5.3
193.05069	14.0
199.03922	0.9
200.04774	2.1
200.26703	0.9
202.02754	0.9
202.06381	3.6
205.05133	1.2
207.06662	5.0
215.07048	1.6
217.05084	2.8
217.08621	5.0
218.05838	8.9
219.06635	1.1
228.04192	2.0
233.08195	21.8
235.06122	26.3
243.06648	5.8
261.07681	24.4
262.07996	1.3
269.69327	0.8
279.05112	5.6
287.05600	1.5
297.06155	7.8
305.06686	3.8
306.58932	1.1
323.03998	2.2
341.05048	7.7
349.05792	2.1
359.06097	2.1
367.07050	1.1
403.75726	0.9
469.13330	1.2
509.09421	1.3
621.18506	1.2
655.74390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
61.98835	1.8
63.22106	0.8
64.85725	0.8
69.33571	4.2
69.63223	0.9
71.01377	3.1
84.93871	3.1
87.33286	0.9
89.02471	0.9
96.96020	13.6
98.27023	0.9
98.95596	6.1
98.96143	0.7
98.96435	0.9
99.92589	23.0
100.92733	1.1
100.93367	23.0
101.02446	1.8
112.01628	0.9
113.02461	1.1
115.92092	24.8
116.92868	100.0
117.92892	3.1
122.28214	0.9
140.92853	1.5
141.93655	2.1
142.94391	4.1
154.94423	2.6
158.93904	2.6
161.02380	3.1
170.93921	1.4
174.93437	1.1
184.91867	3.3
184.95444	1.6
212.94974	4.9
224.94948	1.1
228.20988	0.9
242.95975	7.5
302.98047	1.2
308.44904	0.9
328.96014	1.7
337.23676	2.5
346.97131	1.3
403.15826	1.3
419.15271	1.8
563.19568	9.0
599.21564	1.9
605.20502	3.7
641.22498	5.1
685.21674	31.9
686.21997	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	685.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63944	0.7
55.01882	1.7
57.03454	13.4
59.01389	8.6
69.17610	2.4
69.18031	2.4
71.01395	8.1
73.02945	2.4
75.00880	3.3
81.03495	0.7
81.20659	0.7
83.01402	4.6
84.02171	0.9
85.02957	100.0
86.03306	2.1
87.00874	2.5
88.98788	1.1
89.02481	1.1
95.01423	0.7
97.02972	0.8
98.22640	1.3
99.00928	1.2
101.02455	5.2
103.00394	0.9
111.00898	7.2
113.02522	2.0
115.00323	1.1
119.05033	3.4
121.02928	0.9
126.18281	0.7
129.01961	15.8
133.02965	2.7
134.03766	1.9
135.04527	4.0
145.03006	1.5
147.03038	5.2
150.03218	0.9
155.10779	2.1
161.02454	7.5
163.04045	5.1
171.81310	0.8
173.00903	8.9
175.03938	1.0
176.43422	0.8
177.05531	1.0
179.03552	4.1
191.01994	33.6
192.02170	0.8
193.05106	1.3
199.09746	1.3
221.04579	1.0
229.08743	1.1
259.80197	0.7
281.06720	1.2
300.76791	0.8
323.07770	2.6
329.16019	4.4
337.05743	3.9
341.08832	2.2
347.17160	11.4
348.17642	1.3
399.22635	0.9
415.19647	0.9
431.90598	0.9
439.64218	0.8
459.18933	2.2
477.19821	9.1
503.17563	1.4
521.18787	7.1
523.18359	3.3
539.19879	34.9
540.20355	2.7
569.19788	1.1
610.47095	1.0
685.24152	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03455	12.8
59.01384	9.8
60.38719	0.6
68.99859	0.6
69.03469	0.9
71.01383	7.8
72.99316	1.1
73.02940	2.7
75.00881	3.6
83.01387	5.4
84.02170	0.9
85.02957	100.0
86.03317	1.0
87.00887	1.9
89.02457	0.9
93.03478	0.6
95.01396	1.1
96.96014	2.3
98.21855	1.1
101.02460	3.8
103.00374	0.9
111.00890	7.1
113.02462	2.1
115.00373	1.7
117.03454	1.2
119.05045	4.8
122.06100	0.6
122.65782	0.6
129.01968	13.2
133.02963	2.0
135.04489	2.0
137.02431	1.1
145.02972	2.0
147.02991	6.6
160.04118	0.8
161.02480	4.0
163.04053	6.3
173.00934	7.4
179.03537	1.3
191.02007	22.9
231.06766	0.6
240.09000	0.7
264.54691	0.6
267.11105	0.6
293.06750	0.9
295.10858	2.8
329.16150	3.2
337.05673	5.5
347.17123	14.7
348.17279	0.7
400.45285	0.7
415.20007	0.9
459.18506	1.9
462.16666	2.4
477.19730	7.0
506.16144	0.7
521.18848	5.0
523.18311	1.1
524.16870	1.4
539.19873	24.9
540.20190	1.8
685.23651	2.3
686.22253	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	685.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03177	0.8
57.03453	11.7
59.01389	7.3
71.01381	9.6
71.42242	1.0
72.99300	1.1
73.02951	2.2
75.00870	2.9
83.01386	5.4
84.02186	1.0
85.02956	100.0
86.03274	1.5
87.00885	1.8
89.02454	1.3
99.00888	0.8
101.02443	5.7
111.00890	9.5
113.02465	2.9
115.00400	1.2
117.03465	0.6
119.03542	0.6
119.05029	8.9
124.63280	0.7
129.01959	19.8
133.02983	2.8
134.03751	0.9
135.04495	3.3
137.02321	0.7
145.02939	4.6
147.03006	6.5
152.73418	0.7
161.02473	4.5
163.04025	13.0
166.54898	0.6
167.03535	0.8
173.00926	9.0
177.01965	0.9
179.03528	3.1
191.02002	12.4
193.05142	0.7
197.04567	0.7
199.09810	0.9
203.07115	1.0
231.06741	1.1
293.06747	2.4
329.16022	5.2
337.05710	5.8
347.17181	17.0
348.17496	1.2
359.44644	0.8
373.25284	0.8
459.18857	2.9
460.68817	0.8
477.19803	7.8
521.18842	6.2
539.19897	16.2
540.20288	1.5
629.71399	0.7
685.23560	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	685.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16825	0.2
59.01375	0.4
87.69531	0.2
123.56742	0.2
124.07764	0.2
139.88297	0.2
149.20914	0.2
182.61916	0.2
221.15547	0.7
231.10309	0.6
259.20837	0.4
301.21793	1.0
307.22833	1.7
319.22797	2.9
329.17676	0.8
337.23865	100.0
338.24191	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	686.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98835	15.5
62.99797	1.1
65.70593	0.9
71.01395	5.6
85.02949	8.4
89.02457	2.2
95.01374	2.0
101.02460	1.6
113.02444	12.5
117.03491	1.2
123.04534	1.5
133.02968	32.1
135.04549	12.2
135.56729	1.1
161.02458	100.0
161.75920	0.9
162.02844	3.2
179.03511	4.4
212.66168	1.1
281.06537	1.0
315.10724	1.7
461.16614	5.0
588.10864	1.1
623.19812	78.4
624.20532	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	686.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83842	0.2
61.98835	100.0
73.04447	0.2
77.27881	0.2
186.07742	0.2
229.27612	0.2
340.26956	0.2
397.13861	0.2
500.55081	0.2
535.04327	0.2
593.24213	0.2
626.35266	0.2
631.62311	0.2
645.74554	0.2
687.33600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05541	0.3
56.22170	0.3
59.18689	0.3
61.90455	0.3
61.98835	100.0
70.84518	0.4
81.60519	0.3
82.42636	0.3
82.50301	0.3
130.97411	0.3
135.01823	0.3
324.47531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
59.01384	10.8
67.12846	0.5
67.84065	0.4
71.01385	8.9
73.02941	1.4
82.95403	0.5
83.01394	0.9
85.02956	9.6
87.00883	0.6
89.02464	4.5
89.04009	0.7
95.01403	3.0
96.96079	0.4
101.02435	2.3
108.02188	0.6
113.02457	12.4
117.03468	1.4
119.03498	1.3
129.01956	0.6
132.02180	17.5
133.02968	5.1
134.03752	17.0
135.04588	3.9
137.06085	0.6
149.02411	0.7
149.06085	3.1
152.04836	1.1
160.01671	73.9
161.02455	11.1
161.04564	1.1
162.02837	0.8
167.03508	1.1
167.07059	2.3
175.04013	100.0
175.71208	0.5
175.94427	0.6
176.04338	2.4
178.02713	1.1
179.03532	4.6
193.05072	11.2
240.42601	0.5
329.12308	0.8
368.50372	0.5
405.05331	0.5
457.17490	1.0
475.18283	3.1
623.19885	0.7
651.22980	69.6
652.23218	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	687.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62157	2.4
55.29691	2.1
59.01381	41.7
66.58517	2.3
69.96497	7.8
71.01381	20.9
73.02919	2.3
85.02950	4.5
89.02454	23.0
98.21972	2.7
98.80495	2.3
99.00906	2.8
101.02464	16.3
103.92523	2.1
113.02447	8.5
119.03539	11.3
141.37704	2.1
147.56743	2.0
149.02420	2.5
323.13483	100.0
341.64304	2.4
604.46783	2.4
710.06488	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	688.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00137	0.5
54.25899	0.7
57.03413	0.7
59.01382	34.6
69.36086	1.0
69.36474	2.0
71.01383	25.1
72.00913	16.2
72.99329	0.7
73.02947	1.0
85.02938	3.5
87.00883	1.5
89.02451	37.0
91.05528	1.2
93.03474	1.7
95.01398	1.3
97.00971	0.6
99.00878	1.2
101.02448	13.4
103.05541	0.8
113.02464	11.3
119.03510	15.3
119.04945	0.7
121.02940	1.7
125.02406	0.7
131.03494	2.7
135.04536	2.2
137.02386	1.0
143.03500	4.8
147.04532	51.8
148.04865	1.4
149.04561	2.6
149.06177	0.8
151.03970	2.8
161.04575	7.4
163.04036	2.1
164.07172	100.0
165.01868	1.1
165.07553	2.7
179.05621	32.1
180.05917	0.7
181.05067	13.8
205.05096	1.0
308.51575	0.7
316.10806	0.8
343.10431	1.6
361.11374	0.9
406.09305	1.6
466.11411	0.8
585.05518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20682	0.6
55.01877	2.1
57.03453	6.7
58.00606	0.9
59.01383	59.7
69.21780	1.8
69.22193	1.8
71.01389	58.4
71.38865	0.6
72.99317	1.8
73.02947	5.4
74.55450	0.7
78.41011	0.6
78.95908	0.7
79.07273	0.6
83.01403	3.3
84.02148	0.8
85.02959	54.3
86.00099	2.3
86.03316	0.7
87.00883	10.9
89.02454	26.4
92.92852	0.7
95.00772	1.0
95.01389	20.0
96.96031	8.2
96.96975	1.1
98.02507	1.0
99.00897	1.2
99.04530	1.5
101.02449	13.6
103.04001	0.8
113.02464	99.4
114.02820	1.1
119.03480	3.6
127.04026	2.7
131.03525	18.1
143.03543	3.2
147.05624	0.9
149.04596	9.0
149.06059	1.3
149.07217	17.0
151.49393	0.6
159.05690	0.7
161.04585	11.0
167.08237	0.9
185.07257	1.0
191.05649	10.1
203.08292	6.3
218.09415	1.1
221.09395	0.7
222.94814	0.6
230.09367	10.7
233.06635	3.3
248.10489	0.8
410.15677	4.0
439.82892	0.6
556.21576	12.2
688.25708	100.0
689.26056	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	688.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	1.9
59.01379	1.6
64.00058	0.4
67.97825	0.4
71.01392	0.7
71.24570	0.4
76.46932	0.4
81.03413	0.5
82.20807	0.4
89.02435	0.4
95.05051	0.5
97.87615	0.4
109.06576	0.6
112.07036	0.5
128.10832	7.4
130.08746	100.0
131.09048	2.3
165.12869	1.1
214.43576	0.5
232.27039	0.4
234.27789	0.4
240.69608	0.5
243.24991	0.5
291.19632	3.3
322.20239	88.3
323.20612	5.1
326.07089	0.5
331.29779	0.4
339.25400	0.5
397.13544	1.4
608.82233	0.5
711.27533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
57.03452	16.4
59.01378	0.7
65.00316	1.1
67.01894	1.2
69.28400	3.5
71.01396	1.8
72.99318	0.8
76.80994	0.6
78.01139	0.9
83.01396	13.9
84.02158	1.2
85.02958	100.0
86.03309	1.6
89.00344	1.1
90.51568	0.7
91.01910	3.1
93.03465	13.1
95.01408	1.3
106.00607	1.1
107.16942	0.7
108.02188	10.8
109.02998	1.0
111.00890	26.2
112.01272	0.9
118.18330	0.8
121.02962	17.1
123.00906	7.7
123.04539	14.1
124.01671	2.6
128.60857	0.6
129.01959	45.8
136.01677	4.0
136.98784	0.8
137.02440	10.7
138.03249	6.1
139.00368	2.5
147.03011	4.3
147.04515	0.9
149.06137	1.5
152.01158	6.9
153.05606	11.0
154.99826	2.1
157.11481	0.6
159.04532	0.8
163.04021	0.9
164.04788	0.7
166.02708	3.4
166.99872	3.6
167.03508	27.9
168.03879	0.7
173.00970	4.7
174.03249	0.9
177.01903	0.8
177.05569	8.8
179.03554	1.0
182.02226	10.3
182.03740	0.8
189.05617	0.8
191.01968	1.0
192.04315	4.4
196.03825	2.2
197.04572	32.3
198.04945	1.0
205.05060	6.9
207.03114	0.8
207.06622	10.3
208.06874	0.7
220.03740	0.7
222.05321	1.6
235.06126	24.4
236.06442	1.2
237.07704	3.2
249.03966	3.3
250.04889	0.9
265.07193	17.6
266.07471	0.8
279.05164	4.7
293.03125	1.5
297.06137	1.7
309.06238	2.0
323.04163	2.2
327.07263	4.2
341.05276	1.8
353.05298	1.6
371.06171	3.0
389.07291	1.8
441.47772	0.7
539.10919	0.8
589.62518	0.7
623.95825	0.8
715.20587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78531	1.3
55.01875	5.2
57.03456	21.4
62.28141	1.2
65.00323	2.0
67.01902	2.0
71.01389	1.7
72.99324	1.9
80.07232	1.2
82.27331	1.1
83.01392	18.9
84.02179	1.4
85.02960	100.0
86.03279	1.4
87.00899	1.4
89.00329	1.5
91.01905	9.5
91.76180	1.3
95.01388	1.7
108.02193	26.2
109.02953	1.6
111.00897	41.7
121.02971	15.7
123.00899	13.0
123.04544	28.2
123.79644	1.2
124.01663	5.1
129.01961	68.2
136.01677	8.0
137.02477	1.4
138.03224	7.2
139.00372	3.0
146.83569	1.5
147.02965	2.3
147.04555	1.9
152.01176	18.7
153.05576	11.8
154.99875	3.7
155.03386	1.6
163.04022	2.4
164.04843	3.2
166.02704	4.2
166.99857	6.4
167.03514	84.0
168.03894	3.2
173.00916	5.2
174.03244	2.1
182.02235	19.7
189.05548	2.7
192.04303	15.2
196.03899	2.0
197.04565	44.2
198.04787	1.4
207.06644	34.5
220.03725	3.7
222.05322	2.2
235.06128	58.1
236.06572	2.1
237.07721	3.4
261.03931	2.3
265.07190	18.0
279.05136	16.9
297.06219	3.8
309.06122	1.9
323.04007	6.1
327.07272	1.6
341.04904	3.9
349.37897	1.6
353.05130	3.1
359.06094	1.7
371.06302	2.1
444.42902	1.4
616.91125	1.5
702.72955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43536	1.5
51.45194	1.5
57.03446	2.2
59.01380	29.0
69.06081	10.9
71.01023	2.5
71.01389	30.5
73.02934	3.5
79.95734	1.9
83.01383	1.8
85.02963	24.7
87.00880	6.5
89.02458	12.4
89.68246	1.5
95.01402	10.4
96.96022	51.1
96.96957	2.4
101.02464	7.5
113.02466	43.1
119.03525	2.9
122.64349	1.7
124.78825	1.8
131.03543	7.9
133.02972	3.2
135.04460	2.0
142.06642	4.4
159.05679	11.7
161.02451	3.8
167.03465	2.1
177.06801	2.6
187.08742	5.5
191.05542	5.4
231.07814	19.5
249.08961	3.2
297.23700	1.7
394.14511	1.5
401.46646	1.6
411.14218	1.7
461.16348	2.1
499.11435	5.1
557.19733	4.6
689.24182	100.0
690.24677	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	689.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53085	0.4
57.03460	1.0
59.01384	7.0
70.45220	0.4
71.01390	4.9
73.02957	1.1
83.01399	0.9
85.02961	6.0
89.02464	1.7
93.03462	2.5
95.01414	1.3
101.02445	1.6
105.03481	1.2
111.00890	1.1
113.02461	5.7
117.03488	1.5
119.03535	0.6
121.02975	1.3
123.04552	0.7
129.01965	0.9
132.02197	1.9
133.02975	30.3
134.03462	0.7
135.04544	4.5
137.02486	2.4
153.05548	0.8
161.02464	100.0
162.02803	1.6
167.03519	0.9
177.05632	1.4
179.03543	2.1
182.02203	0.9
197.04585	3.3
202.96901	0.5
235.06235	0.6
265.07220	0.8
527.22333	0.8
689.25647	32.8
690.26154	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95588	0.6
53.51057	0.5
55.01868	1.2
57.03445	2.5
58.00615	0.6
59.01385	14.1
69.58730	2.5
71.01389	19.3
73.02934	1.0
83.01382	1.5
85.02955	22.4
87.00875	1.6
89.02457	5.6
95.01401	8.6
97.03062	0.7
99.00942	0.7
101.02442	2.9
113.02456	32.7
119.03485	1.3
122.89908	0.6
131.03488	3.2
134.03757	1.7
146.03775	0.9
149.04539	0.9
151.16583	0.6
159.04532	2.1
159.08244	0.9
161.04509	0.6
172.05299	2.0
173.06091	3.8
187.03981	1.6
187.07648	14.9
187.50970	0.6
191.05649	1.5
194.89972	0.6
201.05646	4.3
202.06369	19.1
203.06808	0.9
203.10829	0.7
204.49808	0.6
213.09409	0.6
216.07957	1.3
219.10304	0.6
220.07378	0.8
231.10274	16.1
249.11314	2.1
325.33966	0.6
393.15494	1.0
411.16483	1.5
497.23178	0.7
557.22485	5.7
573.18384	0.7
689.26654	100.0
690.27039	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	689.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34371	1.5
57.03439	2.4
59.01381	17.4
69.36855	6.8
71.01385	9.3
73.02937	3.9
80.80046	1.4
83.01403	3.7
85.02959	13.9
87.00870	4.4
89.02432	6.0
95.01377	1.6
96.36182	1.4
96.95985	1.5
101.02441	9.2
111.00862	1.7
113.02461	5.2
117.03446	4.3
123.04588	2.5
126.06781	1.6
127.04053	1.8
128.03549	1.8
129.01967	3.1
131.03502	5.3
132.02191	19.8
133.02969	7.1
134.03760	45.0
135.04533	3.0
136.39119	1.3
137.02419	1.5
149.06136	2.7
149.17642	1.2
160.01677	79.0
161.02461	15.3
161.04549	2.6
167.03490	4.0
175.04022	100.0
176.04340	2.2
191.01968	1.9
193.05077	44.7
197.04617	3.5
202.07091	1.5
207.06636	2.7
235.11809	5.1
381.17661	3.5
491.21274	1.7
509.55771	1.5
513.21936	5.5
529.27991	1.4
584.90350	1.5
689.26678	60.2
690.26886	3.4
718.64685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03720	1.7
57.03448	3.1
59.01387	14.3
61.98825	2.1
70.41071	4.5
71.01375	11.9
71.05032	2.0
73.02964	2.4
74.30260	1.7
74.58212	2.0
81.03489	1.9
82.49554	1.9
83.01392	2.3
83.05029	4.5
85.02951	6.0
89.02442	4.3
94.40936	1.9
95.01403	2.8
96.69257	1.8
97.02950	5.1
97.06607	2.1
99.00893	18.9
101.02445	6.7
113.02467	5.3
119.23428	2.3
121.86010	1.9
125.09726	7.4
133.03040	1.9
135.04561	2.2
142.73038	1.8
161.02478	5.5
163.11304	12.2
165.12888	3.0
171.10271	14.0
179.03496	2.5
181.12350	18.4
187.34514	2.1
189.77356	1.8
191.77557	1.9
197.11842	2.7
199.13383	12.7
207.10246	28.8
209.11855	57.3
214.29918	1.8
225.11336	43.8
227.12881	8.5
243.12361	24.9
251.12859	2.0
253.09387	3.0
273.52460	2.1
291.11719	2.1
291.19598	3.5
386.19238	2.0
387.91373	1.8
461.20392	7.0
479.21332	9.2
671.32953	4.8
689.33960	100.0
690.34479	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	690.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06541	0.3
55.00130	0.3
59.01368	0.3
61.98835	8.5
70.47700	0.7
73.02952	0.9
77.41761	0.3
89.26016	0.3
95.73930	0.3
98.21997	0.3
98.35509	0.3
152.43935	0.3
161.49925	0.3
170.41463	0.3
438.13367	1.1
451.13831	0.7
452.14795	2.9
465.16046	0.7
466.16788	0.5
479.17203	0.9
480.14389	1.1
481.14996	5.3
482.15588	0.8
484.14908	0.4
493.15366	1.5
494.15823	0.9
495.16785	11.0
496.17087	2.0
498.16431	0.9
507.19519	0.5
508.18130	1.8
509.18289	1.2
512.14148	0.3
522.15521	0.9
523.20081	0.6
533.18536	0.7
535.16266	1.3
536.16858	2.3
537.17151	0.4
539.15906	0.5
540.16602	3.8
541.17194	0.6
551.19409	31.7
552.19678	5.5
553.18695	1.0
554.18829	3.1
555.18756	1.3
567.19141	0.5
568.18677	0.4
572.15222	1.8
583.21643	0.6
586.16827	1.6
595.18365	4.3
627.21033	100.0
628.21259	16.9
628.31732	0.6
629.21179	0.6
630.21301	4.9
690.23907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81126	0.2
57.21068	0.2
59.01380	0.9
65.38997	0.2
70.69090	0.3
71.01382	1.6
72.01190	0.2
72.77999	0.2
78.95899	2.2
79.95743	3.5
85.02966	1.3
86.10365	0.2
89.02455	0.4
95.01398	0.3
96.96016	100.0
98.95592	0.7
101.02447	0.3
113.02454	2.4
123.04549	0.3
124.44994	0.2
128.90091	0.2
131.03589	0.2
135.04512	1.4
161.04539	0.2
162.97823	0.2
179.00342	0.3
182.95450	0.2
191.05701	0.2
209.01320	1.8
233.01468	0.3
235.02859	0.4
237.01013	0.2
245.01483	0.3
251.02461	1.6
263.02469	0.3
286.61493	0.2
315.10663	0.3
326.96362	0.3
335.04614	0.5
353.05594	2.2
361.62601	0.2
395.06476	0.2
461.16565	0.6
499.11078	0.9
586.79102	0.2
589.77826	0.2
593.13953	0.2
593.20886	6.6
594.21222	0.5
631.15588	6.9
632.16278	0.6
675.24951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66364	0.3
54.96267	0.3
59.01373	0.5
59.28028	0.3
60.32706	0.3
70.66850	0.6
71.01380	0.6
80.18851	0.3
85.02973	0.4
96.96046	0.5
97.14345	0.3
100.52204	0.3
108.02180	33.7
109.02505	0.6
123.04533	13.8
137.96194	0.3
143.91000	0.3
144.63342	0.3
148.78539	0.3
152.01163	34.3
153.01587	0.4
167.03505	100.0
168.03867	2.2
209.04686	0.4
271.38379	0.3
329.08783	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	691.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14871	0.3
56.45647	0.3
57.03452	0.6
59.01384	6.2
61.98815	0.3
67.22016	0.3
68.99817	1.0
71.01389	4.6
73.02942	0.9
76.03175	0.3
83.01344	0.5
85.02957	3.9
87.00875	0.3
89.02457	2.8
90.36723	0.4
93.03449	0.6
95.01419	0.5
96.32731	0.3
96.96026	0.4
99.00864	1.6
101.02446	1.2
101.03057	0.3
113.02460	5.6
115.00380	0.4
117.03477	31.3
118.03801	0.4
119.03522	0.9
119.05032	8.1
120.05366	0.4
122.02476	0.7
127.13072	0.3
131.00775	0.3
133.02931	0.4
135.04532	0.6
137.06090	1.4
143.03471	0.4
145.02965	100.0
146.03314	2.9
152.56238	0.3
155.10802	0.6
161.02487	0.9
161.04581	0.4
163.04021	4.9
179.03558	0.6
185.11905	0.8
199.13536	0.4
201.11365	0.9
209.11852	5.6
211.13423	0.7
214.68652	0.3
225.11423	0.6
227.13107	0.7
232.11765	0.4
253.09277	0.4
299.11331	0.7
347.17276	0.4
427.16119	0.4
445.17133	3.1
529.26654	0.7
531.28174	0.7
591.20886	16.2
592.21271	1.8
647.33002	0.5
654.89130	0.4
659.19562	3.5
691.21899	4.0
691.31384	0.5
692.23370	0.5
712.67249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
57.03455	13.7
59.01387	15.8
60.55800	0.9
68.99834	1.0
71.01384	11.0
71.04991	0.9
72.12117	0.8
72.99314	1.8
73.02940	2.2
75.00864	2.8
83.01411	4.9
84.02184	1.9
85.02957	100.0
87.00871	1.9
89.02451	2.1
99.00888	1.9
101.02442	3.9
103.00391	1.7
104.24168	0.9
111.00901	4.7
113.02450	5.0
115.00368	3.7
116.56078	0.9
129.01965	11.0
133.01355	1.0
133.02945	3.1
134.03746	2.7
135.04543	6.8
137.02452	2.0
145.02937	1.3
147.03017	17.6
161.02463	9.7
161.04568	1.6
162.02802	1.6
171.10263	2.2
173.00916	3.0
179.03497	7.0
181.01494	1.2
191.01990	50.1
192.02400	0.9
196.03755	1.2
199.32455	0.8
201.11285	0.9
209.02853	1.0
209.11810	3.4
227.24515	0.8
327.22122	1.0
344.16016	0.9
455.22852	4.7
469.20773	4.2
471.26224	1.1
489.26990	3.3
531.28131	20.6
532.29199	1.1
605.24548	2.1
629.24121	2.1
629.71393	1.0
630.21411	1.5
647.25500	9.2
675.22937	2.1
675.73248	1.6
682.73993	1.9
691.24457	2.9
691.74786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98828	58.6
71.01389	47.3
89.02474	23.7
94.06769	19.6
101.02439	36.9
113.02428	28.4
171.10274	41.8
207.10394	23.1
209.11911	34.9
211.13327	24.3
212.47311	19.3
293.21033	24.1
373.23798	51.7
397.13391	33.7
401.23392	65.9
419.24658	48.9
523.73419	19.8
533.31885	21.3
619.31866	27.3
622.73956	22.5
637.32343	31.5
638.32916	23.5
720.88226	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78296	1.8
57.03451	1.8
59.01384	61.1
59.05801	2.1
61.98839	3.2
67.64948	2.1
69.03448	2.0
70.24799	4.9
71.01016	3.3
71.01387	33.7
71.05030	2.6
73.02952	6.6
83.01400	4.3
85.02959	8.1
87.00887	6.5
89.02451	30.8
95.01416	3.0
96.83490	1.8
96.96004	2.8
97.02959	5.6
101.02455	24.6
113.02463	13.8
116.95036	2.1
119.03484	7.7
125.02446	8.4
139.03958	2.1
143.03506	5.7
158.72195	1.7
161.04581	6.0
179.05638	3.6
191.18028	2.2
209.15497	2.1
221.06651	2.5
235.08249	10.3
235.17046	40.3
235.19220	3.5
245.06708	2.2
253.09256	3.3
275.20190	49.4
276.20477	2.3
289.83432	1.9
293.21271	100.0
294.21326	2.0
364.22659	1.9
397.13556	75.9
398.13904	1.9
415.14594	39.9
629.67920	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03452	0.6
58.00592	0.5
59.01382	19.7
69.03449	0.9
71.01387	12.7
73.02947	2.6
80.08476	0.3
81.03452	0.6
83.01377	0.9
85.02943	3.1
87.00887	2.5
89.02446	11.3
95.01378	0.6
97.02956	2.2
98.22799	0.6
99.00891	0.4
101.02445	9.4
110.80544	0.3
111.08176	0.5
113.02463	4.7
119.03501	3.2
125.02454	3.0
131.03491	0.4
133.05087	0.3
143.03500	1.5
161.04556	2.4
167.10782	0.4
179.05661	2.2
179.14452	0.5
195.13908	7.8
196.14668	1.3
205.12416	0.8
205.15944	0.4
211.13466	0.4
217.07121	0.3
221.06703	0.8
223.13394	6.7
224.14037	0.4
235.08270	3.1
239.12988	0.3
247.96312	0.3
253.09363	1.7
256.13193	1.3
265.21786	0.6
274.61069	0.3
275.20105	4.3
277.09305	0.4
287.07813	0.7
291.19687	0.4
293.21240	100.0
294.21582	4.9
305.08807	0.7
323.09702	0.5
397.13501	20.4
398.13666	1.2
415.14575	25.4
416.14993	1.3
654.27551	0.7
691.35309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89997	0.5
56.69547	0.5
57.03430	0.8
59.01383	22.1
61.98821	0.5
66.60610	0.5
68.99824	0.5
69.03463	1.2
69.60599	0.9
69.60981	1.2
71.01389	14.5
73.02950	1.8
76.13520	0.5
76.43106	0.4
83.01388	1.6
83.02785	0.5
85.02951	3.0
87.00872	2.9
89.02448	11.1
95.01396	1.3
97.02956	1.6
98.21934	0.9
99.00909	0.9
101.02457	9.8
105.66898	0.5
113.02467	4.9
119.03517	3.4
125.02447	3.2
131.03502	0.6
142.49677	0.5
143.03519	1.9
149.04570	0.5
151.26762	0.5
161.04561	2.0
171.10330	0.8
179.05605	2.7
179.14438	0.6
195.13901	6.9
196.14636	1.2
205.12445	0.7
205.15822	0.7
211.13472	0.9
221.06680	0.9
223.13429	5.4
235.08340	3.3
253.09305	1.3
256.13007	0.7
263.07635	0.7
275.20123	4.5
293.21243	100.0
294.21564	6.2
305.08673	1.0
397.13528	22.3
398.13892	1.1
415.14581	23.7
416.15176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91532	0.4
57.57054	0.4
59.01380	8.2
65.66305	0.5
69.03477	0.5
69.24815	2.5
71.01391	5.4
72.99328	0.5
73.02948	1.7
83.01398	0.7
85.02957	5.5
89.02421	1.1
95.01420	0.5
97.02929	0.7
99.00944	0.6
101.02432	1.6
113.02480	4.8
117.03479	32.3
118.03817	1.3
119.05029	7.4
123.04546	4.3
125.02441	1.4
133.02989	2.3
135.04539	9.8
145.02966	100.0
146.03310	2.1
153.05603	4.2
161.02454	4.3
163.04021	8.0
191.02031	0.9
194.48309	0.4
195.45299	0.4
209.03087	2.0
237.79654	0.5
297.09769	1.0
315.11115	0.9
351.98108	0.4
387.16595	0.8
461.16589	1.6
469.29767	2.3
485.17166	1.0
490.05948	0.5
503.17786	16.7
504.18195	0.9
531.29608	0.6
607.20392	0.8
649.21417	34.2
650.22003	2.8
650.31573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01387	7.8
69.36492	0.3
71.01394	4.8
71.25432	0.3
72.99318	0.3
73.02969	1.3
73.15182	0.3
75.00880	0.4
76.11962	0.3
85.02961	1.4
89.02443	1.9
95.01418	0.6
97.02953	0.4
101.02450	1.6
103.78736	0.4
105.03474	0.9
111.00913	0.4
112.34418	0.4
113.02460	4.0
117.03466	1.7
119.03542	0.3
119.05072	2.2
123.04555	0.5
125.02506	0.5
131.03496	0.3
132.02185	2.3
133.02969	36.9
134.03333	0.8
135.04546	4.4
135.42355	0.4
137.06065	0.4
142.44695	0.4
145.02971	3.5
155.03520	0.5
161.02461	100.0
162.02837	3.0
163.04012	0.5
179.03502	1.9
199.55374	0.3
205.32536	0.4
270.06342	0.4
283.21115	0.4
463.24942	0.4
487.18228	1.2
503.18231	0.6
606.07916	0.4
607.20557	1.4
649.21423	43.7
650.21863	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	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82063	0.9
53.72807	0.8
54.01033	0.8
59.01381	7.6
69.09559	4.5
71.01376	3.3
73.02988	0.9
74.90881	1.0
85.02962	3.8
92.40713	0.9
93.67355	0.9
101.02434	2.5
113.02443	2.7
113.93081	0.9
115.00425	1.5
121.02973	10.6
132.02165	1.9
132.53288	1.0
134.03761	1.2
138.84242	0.9
147.04559	1.7
149.02454	57.4
150.02809	1.3
160.01657	2.6
161.04575	1.5
163.03966	1.2
164.04808	45.0
165.05182	1.2
175.00371	3.6
175.04018	3.3
179.07175	5.5
190.02718	9.0
205.05014	9.0
208.03734	2.0
209.11729	1.4
223.06146	100.0
224.06458	2.6
333.40295	1.1
383.13452	1.1
443.15427	1.2
533.29675	1.4
593.91083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
69.87853	0.8
69.88181	0.6
71.01379	1.0
75.51814	0.3
76.24894	0.3
78.10345	0.3
85.02949	1.5
89.02460	0.5
99.00872	0.5
101.02439	0.5
108.02180	28.3
109.02524	0.4
119.03505	0.4
123.04539	13.7
152.01163	29.2
153.01501	0.6
167.03502	100.0
168.03859	2.5
169.04060	0.3
177.02017	0.6
188.41231	0.4
191.01920	0.5
191.05637	0.4
209.04695	0.6
239.40659	0.3
329.08798	20.6
330.09146	1.1
363.12997	1.2
590.73993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01386	8.7
71.01389	6.9
73.02956	1.8
81.03461	0.4
83.01397	0.7
85.02962	5.4
87.00887	1.3
89.02460	2.6
92.65296	0.3
95.01400	0.6
95.71018	0.3
97.02941	0.4
99.00861	0.5
101.02462	3.5
111.47982	0.3
113.02469	3.3
117.03481	28.0
118.03790	0.6
119.05032	16.5
123.04585	0.5
125.02472	0.5
127.04036	0.9
129.02008	0.5
131.03542	2.4
132.02184	3.9
133.03004	1.7
134.03748	4.1
135.04524	1.8
145.02968	100.0
146.03290	2.6
149.04599	0.5
149.06123	0.5
160.01675	15.2
161.02469	3.6
161.04486	1.6
163.04024	23.0
167.07146	0.4
175.04022	19.8
176.04395	0.5
179.03503	1.5
191.05640	1.1
193.05048	2.8
235.04330	0.4
269.10233	1.7
274.17914	0.3
415.16098	1.3
517.19293	0.7
547.20410	3.4
561.19733	1.1
590.24219	0.4
620.01563	0.4
671.56732	0.4
693.24011	33.9
694.24121	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	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03451	0.7
59.01385	8.2
65.00345	0.3
65.38609	0.2
69.29153	1.7
71.01387	4.3
71.56892	0.3
73.02934	0.8
73.05031	0.2
83.01371	0.4
85.02964	5.1
87.00891	0.9
89.02445	2.6
89.03958	0.8
90.09380	0.3
95.01391	1.3
97.03002	0.3
98.21846	0.5
99.00919	0.3
101.02438	1.6
103.04034	0.4
109.02935	0.3
113.02460	7.3
117.03481	1.4
119.03516	0.9
119.04968	0.4
123.04585	0.4
127.04101	0.4
132.02185	21.9
133.02925	1.1
134.03754	21.9
135.04352	0.6
137.06090	0.4
143.03488	0.5
145.02995	0.4
147.04553	0.4
149.06062	2.7
152.04781	1.4
160.01675	76.4
161.02220	2.9
161.04631	0.5
167.07111	2.1
175.04016	100.0
176.04361	4.1
178.02718	1.2
179.03584	0.4
193.05072	15.6
194.05344	0.6
215.59042	0.3
329.12445	1.1
373.23849	0.4
457.17249	1.2
475.18222	3.0
487.15771	0.4
489.32239	0.6
505.17401	1.6
513.91693	0.3
517.19159	0.7
529.60236	0.4
539.63678	0.3
633.21979	2.1
651.22968	11.3
651.33807	0.7
652.23169	1.4
693.24036	20.5
694.24414	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	693.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01085	0.5
59.01384	9.3
61.98831	0.3
69.03468	0.2
69.26012	1.1
70.55399	0.2
71.01387	5.7
72.99319	0.2
73.02950	1.0
75.00864	0.3
81.03461	0.3
83.01383	0.4
85.02966	4.2
87.00890	0.9
87.23698	0.2
89.02463	2.3
89.03981	0.5
90.54952	0.2
95.01379	1.1
97.03000	0.2
101.02441	1.7
104.02692	0.4
106.04301	0.2
109.02966	0.5
113.02464	6.4
117.03485	1.8
119.03513	0.8
122.03737	0.3
125.02510	0.3
126.90459	0.3
127.04006	0.4
131.03528	0.3
132.02191	21.8
132.68967	0.2
133.03036	1.3
134.03760	22.5
135.04385	0.8
137.06125	0.7
142.59004	0.2
143.03543	0.4
147.04597	0.3
149.02470	0.4
149.06123	2.4
151.04092	0.2
152.04807	1.1
160.01682	76.3
161.02316	3.7
161.04498	0.5
167.07166	2.2
175.04027	100.0
176.04384	3.4
178.02734	0.9
179.03540	0.4
193.05081	16.2
194.05408	0.8
235.04250	0.2
259.06259	0.2
265.07199	0.3
313.91953	0.2
324.75192	0.2
329.12491	1.4
421.15027	0.4
439.16223	0.4
457.17197	1.1
475.18228	2.7
487.15753	0.3
505.17310	2.2
517.18994	0.7
551.93665	0.2
615.21356	0.5
633.21906	2.6
651.22998	10.2
652.23108	1.0
693.23975	17.6
694.24512	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	693.3503
Annotation	Khekadaengoside F
Peak:m/z	Relative Intensity
59.01384	17.3
60.18373	0.9
60.99301	1.0
61.98843	1.8
71.01384	6.6
72.87980	1.0
75.37276	1.1
79.76064	1.0
85.02962	4.3
89.02473	4.9
95.01377	1.4
96.00932	1.6
97.03043	1.2
98.02485	1.9
101.02460	4.0
102.65202	1.0
108.84621	1.0
113.02461	6.4
119.03469	1.3
133.02960	3.5
134.03731	3.8
135.04520	4.0
145.09856	2.1
149.02457	1.7
149.78430	1.0
160.01642	1.8
161.02455	8.7
161.04523	2.1
162.02711	1.3
175.04099	1.5
179.03506	6.5
193.05066	7.7
266.08307	1.2
272.94916	1.1
365.24979	2.0
389.60812	1.0
407.29651	5.1
423.29257	5.3
424.29837	1.9
451.28543	24.8
452.28928	2.2
461.61682	1.2
465.30319	2.4
469.29642	100.0
470.29974	12.6
485.23923	4.1
487.30676	6.9
511.30606	19.3
512.31720	1.3
513.28540	1.6
529.31671	1.2
531.29669	69.9
532.30060	8.6
573.30762	23.3
574.30878	2.1
592.20862	1.4
603.31860	2.0
623.20288	1.4
633.32709	4.5
634.33191	1.3
675.32019	1.8
693.34930	59.9
694.35443	8.8
711.10297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27474	0.4
54.81727	0.4
57.26841	0.5
59.01384	3.0
60.23483	0.4
68.34891	0.5
71.01368	1.7
73.02959	0.7
80.61302	0.4
85.02954	7.2
87.00881	1.7
89.02406	0.6
93.03468	3.3
101.02431	0.7
109.02975	1.2
127.04037	1.5
132.02135	0.6
133.02974	8.3
135.04509	3.1
135.21185	0.4
149.02359	0.5
161.02460	31.5
170.90456	0.5
173.04482	1.1
177.01950	0.6
177.05663	0.6
179.03476	6.1
188.55276	0.5
191.05632	100.0
192.05986	1.9
193.04933	0.6
203.03468	0.7
341.08810	14.6
353.08801	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	695.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02719	0.9
55.01874	2.1
59.01377	4.7
62.15325	0.7
64.65801	0.8
66.14511	0.7
69.03462	41.1
69.23582	1.6
69.23993	3.8
70.03801	0.9
71.01383	3.0
72.99330	1.8
73.02962	2.5
79.01907	2.1
84.41022	0.8
85.02939	4.1
89.90110	0.8
97.02946	7.7
98.22710	1.7
99.00890	11.4
99.59940	0.7
101.02465	4.7
113.02466	2.4
117.03464	1.8
132.02205	1.1
133.01482	0.9
133.02968	20.6
134.03766	5.0
135.04527	3.6
141.01923	2.7
145.02975	1.7
161.02455	81.8
162.02783	1.5
179.03542	2.7
185.00920	24.3
193.05066	6.8
229.93341	0.8
281.06778	1.3
345.97855	0.8
347.17087	10.4
482.28897	1.0
509.20322	100.0
510.20636	4.9
533.17981	1.2
695.22144	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
57.03448	1.5
59.01384	10.4
63.18676	0.9
69.03462	100.0
70.03788	1.8
71.01388	11.9
72.99292	2.6
73.02941	2.4
77.16870	1.0
79.01904	3.9
83.01382	2.3
85.02966	11.6
87.00869	2.0
89.02442	3.6
89.05847	0.9
95.01389	1.9
96.95995	5.1
97.02958	21.6
98.95572	2.4
99.00893	26.8
101.02455	6.3
101.21874	1.0
109.03013	1.1
111.00867	2.3
113.02458	3.3
115.00383	7.4
115.75220	0.9
116.92902	1.9
119.03556	1.8
129.01950	1.8
133.01447	13.3
133.02994	1.3
135.04570	1.7
138.84050	1.0
141.01974	8.5
142.52402	0.9
159.58356	1.2
161.02432	1.6
161.04543	2.2
179.03355	1.1
185.00926	81.5
186.01210	1.4
191.01982	2.4
290.96066	1.0
347.17017	2.3
353.10379	1.4
381.13342	1.1
473.86453	0.9
475.21429	1.7
493.22757	2.2
509.22430	61.1
510.22711	4.0
532.74982	1.0
533.18512	1.4
572.12262	1.0
659.31525	1.7
695.24036	16.5
696.24487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01384	4.6
62.49738	0.6
65.00314	1.5
67.01896	1.6
69.35122	3.5
69.99366	0.7
71.01399	3.2
73.02950	1.0
77.84322	0.6
78.01126	0.8
81.03460	2.9
82.00614	1.0
83.01377	1.0
85.02975	3.2
87.00880	0.8
88.67501	0.8
89.00337	1.3
89.02449	1.6
91.01914	1.8
93.03494	2.0
95.01399	0.9
97.02957	1.8
101.02449	2.0
106.00614	2.3
107.67669	0.7
109.02953	6.1
110.00102	2.6
111.00894	1.1
113.02522	1.2
119.13074	0.7
121.02966	29.8
121.32280	0.6
122.00124	4.8
123.00897	4.0
125.02486	1.3
125.09750	6.7
125.99580	2.3
127.00372	1.1
135.04376	0.6
137.02460	34.2
137.99609	2.4
138.03265	4.5
139.00407	0.8
139.03989	2.0
141.01909	0.7
153.01926	2.4
153.05592	26.6
153.99051	0.9
154.05884	0.7
155.03513	6.8
161.02443	1.8
181.01454	6.9
182.02275	1.7
183.02985	1.5
191.02052	0.9
193.05092	0.9
196.03786	6.7
197.04567	45.6
198.04890	0.9
209.03020	1.4
277.14517	1.3
395.10400	0.7
402.50388	0.6
407.17044	0.7
448.95062	0.7
472.99487	0.7
695.32886	100.0
696.33252	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	696.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.7
61.98830	8.0
71.01390	28.0
72.99347	1.8
73.02941	5.7
78.95907	2.7
80.96534	1.7
83.01380	2.3
85.02945	5.3
87.00894	5.2
89.02445	22.8
97.02968	4.4
99.00836	1.6
101.02442	20.3
113.02442	7.8
119.03484	8.0
125.02436	9.1
143.03473	4.0
161.04607	4.2
179.05640	4.9
191.00713	1.5
202.09042	1.4
221.06564	1.4
235.08223	10.8
255.23317	77.3
256.23676	3.2
287.07761	2.8
305.08759	5.0
317.20889	1.6
397.13525	100.0
398.13986	3.2
415.14612	33.4
416.15036	2.1
428.67203	1.5
577.27161	1.9
653.37830	3.9
712.05463	1.8
722.70325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
55.83544	0.8
57.03458	1.3
59.01384	40.2
61.98822	1.8
69.03464	2.3
71.01387	24.9
72.99293	1.2
73.02947	4.0
83.01395	2.8
83.34869	0.9
85.02959	6.5
87.00874	5.5
89.02454	23.0
95.01372	2.3
97.02950	4.5
98.34943	1.2
99.00877	1.4
101.02455	20.9
111.04475	1.0
113.02457	10.0
119.03548	6.6
125.02463	9.1
139.04079	1.0
143.03503	4.0
152.32669	0.9
156.74162	0.9
161.04605	4.9
179.05576	4.9
201.11342	4.8
221.06644	1.7
235.08191	9.5
253.09355	2.7
255.23308	74.5
256.23669	3.8
263.07855	1.5
269.25150	0.8
276.27151	1.2
277.21722	2.1
287.07678	3.3
305.08765	3.8
323.09958	1.7
328.17932	0.9
397.13519	100.0
398.13879	3.4
415.14621	31.3
415.20227	1.9
453.52628	0.9
474.51669	0.9
653.37518	5.4
662.43231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43677	0.6
55.67142	0.6
57.01780	0.6
59.01389	5.4
65.84917	0.7
69.03471	5.3
71.01375	3.0
71.41833	0.7
85.02942	2.1
87.00877	1.1
89.02453	2.3
95.05045	1.5
97.02951	0.9
101.02464	1.3
105.71439	0.7
108.02184	0.7
109.02990	0.8
113.02447	3.1
114.05602	1.3
115.00366	1.1
119.03488	1.4
121.06612	1.9
123.03886	0.7
123.04557	7.0
132.02165	0.8
133.01425	1.4
133.02971	20.7
134.03737	3.1
134.35957	0.7
135.04555	12.7
137.02444	0.7
144.07715	1.8
149.06114	6.7
151.00304	0.7
160.01686	1.0
161.02455	81.0
162.02826	2.1
167.07166	3.3
177.05569	2.8
179.03505	11.2
211.06104	0.9
221.04623	3.3
222.05255	1.9
281.06763	1.6
323.07663	3.7
328.43427	0.7
341.08536	1.1
343.00049	0.7
491.15564	4.7
535.14594	100.0
536.14960	4.9
550.11664	0.8
553.53949	0.8
610.56067	0.8
655.28613	0.9
697.20044	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	697.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
61.98829	1.7
69.03461	1.8
71.01388	26.9
72.99315	4.8
75.92667	0.9
78.69821	0.8
85.02952	2.6
87.00849	1.1
89.02441	2.4
96.95996	0.8
99.00883	1.0
102.79831	0.8
113.02474	1.9
115.00386	56.2
129.01974	1.2
133.01447	100.0
133.03047	3.4
134.03773	1.5
135.04509	5.4
157.01479	1.8
161.02452	9.0
179.03516	3.9
193.05127	1.1
197.04504	1.6
220.46237	0.9
228.34445	1.0
274.15805	1.9
303.19733	15.6
315.19666	7.0
323.07547	1.6
323.11618	1.4
331.19122	1.6
333.20724	76.5
334.20990	2.8
356.44626	1.0
362.42303	1.1
503.11893	3.0
537.27087	79.4
538.28271	5.2
697.27264	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	697.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93944	0.2
57.03454	0.5
59.01382	11.4
63.93988	0.2
69.03468	0.8
71.01389	4.7
72.73784	0.2
72.99306	0.3
73.02958	0.4
83.01403	0.3
85.02962	1.9
89.02446	4.1
94.95334	0.2
95.01408	0.2
99.00912	0.6
101.02448	3.1
109.92814	0.3
113.02456	1.7
119.03500	1.3
129.01958	0.3
133.03001	0.7
134.03784	0.3
145.02939	0.3
161.02458	1.6
162.02808	0.4
179.03522	0.4
182.48584	0.2
185.00952	0.3
193.42238	0.2
203.80449	0.2
210.75838	0.2
222.99628	0.3
248.00320	0.2
259.20721	0.4
301.21710	0.9
319.22763	6.3
321.24332	0.9
337.23877	0.6
381.13525	0.3
499.29166	100.0
500.29535	6.7
509.20285	0.4
510.20773	0.5
511.20639	1.3
517.18878	1.2
541.30194	0.3
579.06055	0.3
653.34204	0.4
697.32098	13.0
698.32538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54948	1.0
57.03468	1.6
59.01375	2.6
60.99283	1.7
71.01381	2.3
71.41840	1.4
85.02978	3.8
88.98827	4.3
89.02482	1.7
101.02436	1.8
107.01384	2.4
113.02483	2.0
121.02931	1.3
123.02969	1.1
129.02055	1.3
148.01724	1.3
151.00372	7.3
163.00339	2.3
178.99846	3.4
243.03021	6.2
254.02229	2.7
255.02985	18.8
271.02512	36.4
272.02988	3.7
300.02774	73.7
301.03525	27.2
334.61325	1.3
537.18433	1.8
609.14636	100.0
610.15125	7.4
612.93121	1.3
657.30200	2.7
702.32166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
59.01382	21.3
61.10877	1.0
61.98821	2.1
71.01014	1.3
71.01385	12.8
71.09684	1.0
73.02982	0.8
77.03949	1.4
83.01390	1.4
85.02952	18.0
86.90243	0.8
89.02451	15.0
90.74328	0.8
95.05028	3.3
101.02444	5.7
104.78131	0.8
105.02928	0.8
105.03489	8.5
111.00872	1.0
113.02473	5.9
119.03534	7.1
121.02904	1.1
123.00903	5.4
125.71909	0.7
129.01942	1.7
133.02980	24.8
135.04520	0.8
136.01596	0.9
137.02440	1.7
138.03218	4.9
143.03503	1.6
147.02948	2.6
153.05539	4.0
161.04544	2.9
166.99872	9.6
177.01929	5.5
179.03296	0.9
179.05637	12.8
181.01447	1.2
182.02232	40.9
191.01949	9.6
197.04559	69.5
198.04944	1.3
233.75623	0.9
237.53619	0.8
238.94435	0.9
239.05585	2.3
269.06680	100.0
270.07013	3.7
339.12259	5.9
374.08795	1.0
428.34305	0.9
507.21356	1.6
600.60168	0.9
699.23590	3.8
708.71887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81170	6.4
61.77969	6.7
64.01929	5.4
67.03310	5.9
67.36533	5.4
67.91228	5.3
71.01398	6.6
75.71640	6.0
76.36314	5.9
76.66378	5.8
85.02959	10.8
126.23743	6.2
135.04559	7.6
138.34065	5.5
151.65393	5.4
159.66925	5.4
172.59840	6.0
191.05627	100.0
194.59351	4.8
208.76512	5.5
234.94370	5.6
237.02283	7.2
246.81441	5.4
353.08633	11.7
429.36349	6.0
519.18359	5.3
663.54462	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	699.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.6
61.98821	0.7
71.01390	4.1
71.41030	0.5
73.02991	0.6
78.01105	1.2
83.01395	0.6
85.02953	1.7
87.00886	1.0
89.00342	3.8
89.02450	6.2
91.01903	1.7
95.01369	0.7
101.02449	2.0
106.00622	4.1
111.00917	0.7
113.02448	2.2
114.32184	0.5
119.03526	1.5
121.02968	52.2
122.03291	0.9
123.00900	4.5
127.00347	1.3
127.83761	0.4
135.04431	0.5
136.98705	0.6
138.03244	4.9
139.00403	0.9
153.05591	29.1
154.05975	0.8
161.04570	1.0
166.99867	3.2
171.80724	0.5
179.05602	1.6
181.73419	0.5
182.02217	11.0
197.04564	100.0
198.04919	3.2
215.65363	0.4
310.49484	0.5
354.74933	0.5
354.79553	0.5
371.64969	0.5
378.97910	0.5
380.37918	0.5
381.12943	0.6
465.77527	0.5
605.24945	0.5
611.62378	0.5
684.99939	0.5
699.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94832	0.7
55.01878	0.8
58.02980	2.8
59.01374	2.6
65.03959	4.2
69.03462	13.4
69.70526	0.7
71.00563	0.8
71.01390	1.0
72.00919	2.3
73.02994	0.8
81.03461	1.3
82.06624	1.1
83.05037	25.0
85.02958	3.7
91.05546	8.9
95.05039	1.2
96.96005	2.8
97.06631	1.5
101.02428	1.0
109.02938	1.6
109.06563	1.0
110.10516	0.8
112.07726	1.3
113.02450	9.9
123.08198	2.1
127.04024	8.2
129.10361	32.9
135.04570	1.3
135.08217	1.2
136.05388	1.2
137.06125	0.8
147.04526	12.7
150.06876	1.6
151.07674	15.2
154.08768	6.7
161.02452	2.1
164.07185	30.8
164.08545	1.9
165.09204	3.5
171.11427	27.3
172.11522	0.8
177.43155	0.8
179.03546	1.4
189.09299	0.8
193.05048	1.0
201.09244	2.3
207.13937	1.9
216.13994	1.4
226.09975	0.9
232.11090	1.9
233.11864	2.3
233.16621	18.6
234.17055	1.4
235.13383	4.7
241.12196	1.0
245.11879	1.2
246.12730	1.7
247.13313	1.6
251.12798	1.4
258.12704	4.7
261.14969	19.7
263.16528	1.0
273.14987	3.9
275.17563	1.7
277.15555	0.9
284.14188	1.6
287.13092	2.1
288.13696	5.8
299.16550	7.3
302.15311	5.1
317.17596	22.0
318.18262	1.0
319.16656	100.0
320.16971	4.3
361.16611	21.3
362.16983	1.1
379.17633	53.8
380.17935	2.7
404.42053	1.0
499.94400	0.9
657.14893	0.8
696.73346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98833	100.0
68.80613	0.1
71.01397	0.7
73.02949	0.5
83.01391	0.3
85.02966	0.6
89.02446	0.3
95.01382	0.2
98.21891	0.2
101.02465	0.5
104.06596	0.1
106.72289	0.1
113.02460	1.0
123.04474	0.2
128.03566	0.3
132.02180	0.5
133.02979	0.4
134.03752	0.4
135.04558	0.7
143.03520	0.1
148.60229	0.1
149.04549	0.2
153.05627	0.3
160.01657	1.9
161.02505	0.8
161.04594	0.3
175.04015	2.5
179.03485	0.3
182.16595	0.1
192.19092	0.1
193.05093	0.7
204.03381	0.1
221.06718	0.3
249.05621	0.2
263.07666	0.2
362.47003	0.1
461.16888	0.7
511.53003	0.1
637.21381	4.4
638.22137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56792	1.5
61.98817	3.1
65.24554	1.6
70.02067	3.6
74.84013	1.7
78.95914	2.4
89.02429	1.8
99.10906	1.7
123.77290	1.6
168.31584	1.4
230.70493	1.7
255.23296	4.3
397.13699	2.4
437.45969	1.6
496.13950	5.2
511.16223	2.4
544.15894	4.2
571.18274	6.6
657.22076	13.1
700.22668	100.0
701.23083	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	701.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
57.03452	14.9
59.01390	5.7
69.09067	6.9
71.01376	3.3
75.08221	1.0
78.26092	0.9
83.01379	4.1
84.88255	1.0
85.02958	100.0
87.00890	2.1
88.62559	0.8
89.02461	1.6
91.01876	1.7
101.02454	3.5
108.02179	4.2
109.02967	2.4
111.00888	12.0
113.02458	2.2
121.02969	9.0
123.00876	2.7
123.04523	6.4
129.01953	63.8
133.02962	5.3
134.03645	1.0
135.04562	5.2
138.03226	1.6
147.03014	7.8
152.01192	5.1
153.05612	6.4
161.02423	11.3
166.99863	1.4
167.03503	18.7
173.00923	18.6
179.03513	4.8
179.05568	1.1
182.02237	1.9
191.01991	5.1
192.04237	0.9
197.04562	21.8
203.07118	1.5
209.02931	1.1
213.28242	1.3
235.06061	5.3
247.05984	1.4
249.69540	1.1
265.07101	3.2
297.06177	9.9
309.05899	1.2
323.04391	1.3
327.07153	5.1
333.32687	1.1
341.05103	7.9
359.06223	4.9
371.06165	12.7
372.06155	1.2
383.11700	1.1
389.07263	7.7
539.10559	8.5
665.21045	3.2
665.39020	3.3
700.72400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99348	2.1
54.37654	1.6
59.01384	44.4
64.59357	1.6
64.64912	1.9
69.51246	8.4
71.01389	36.6
72.99305	1.8
73.02951	6.0
83.01368	3.0
85.02978	4.2
87.00900	13.4
89.02454	62.4
90.33835	1.7
98.22667	3.4
99.35000	1.8
101.02456	44.7
113.02461	20.1
115.03983	1.8
119.03547	11.9
125.02463	7.2
131.03529	2.0
143.03517	10.7
149.04581	2.3
160.50487	1.9
161.04585	11.6
179.05634	36.0
203.05679	5.6
221.06697	14.5
259.49170	1.8
323.09674	2.4
341.10870	25.2
345.65677	2.1
383.11981	67.3
438.68442	2.0
443.14136	11.7
485.15189	11.0
503.16141	3.7
539.13812	5.6
665.21570	100.0
666.22107	7.1
701.19153	37.1
702.19824	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	701.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.5
59.01083	2.1
59.01386	37.4
63.26311	1.2
63.59227	1.3
69.20321	7.7
71.01391	17.1
73.02970	2.5
77.99893	1.3
83.01385	1.6
85.02959	9.6
89.02474	5.1
93.06800	1.4
95.05006	1.7
97.02967	5.1
99.04516	11.5
101.02436	7.3
107.05034	1.8
109.02952	3.4
109.06593	2.8
111.04549	3.6
113.02444	4.1
115.00377	14.1
121.02968	3.9
121.06631	3.7
122.03751	5.9
124.05305	11.7
125.02465	3.2
129.01973	1.9
133.01408	6.6
133.06644	4.5
134.03787	2.3
135.04510	3.2
137.06105	6.9
139.07663	85.0
140.08032	2.3
147.28894	1.2
149.06084	2.4
151.04085	2.3
153.05580	3.1
155.37364	1.3
161.04596	9.0
162.96051	1.5
163.07796	1.3
166.74496	1.3
168.07922	18.4
169.08664	7.0
175.11334	1.7
177.12918	2.9
179.03426	1.6
179.05675	2.3
181.08720	2.7
182.02275	2.4
187.11325	12.3
190.10057	2.0
191.01953	1.5
193.05052	2.8
197.04596	8.9
197.42709	1.3
205.12346	24.9
211.09834	1.6
229.12399	1.8
231.10139	2.2
235.13474	3.5
249.11403	2.8
261.11371	3.0
279.12402	100.0
280.12787	3.8
303.12421	4.2
309.08975	1.8
321.13504	9.6
327.09912	1.5
335.58008	1.4
361.16498	2.0
423.10794	1.8
423.16693	37.3
424.17038	2.4
441.17764	15.7
460.89099	1.4
486.14148	1.4
503.14151	4.2
505.01932	1.3
539.20642	2.7
585.21881	36.5
586.22437	2.4
612.74176	1.4
701.22137	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	701.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05686	0.8
55.01886	3.7
57.03456	13.9
59.01383	14.3
69.35409	4.2
71.01390	9.6
72.99307	2.8
73.02950	2.8
75.00916	3.8
83.01382	4.4
84.02154	2.1
85.02957	100.0
86.03311	1.2
87.00893	2.7
88.98857	1.1
89.02441	2.1
95.06636	0.8
96.96006	1.0
97.40157	0.8
99.00896	1.9
99.85139	0.7
101.02467	5.3
103.00378	1.8
111.00868	7.1
113.74417	0.8
115.00346	1.6
117.03463	0.7
129.01938	15.1
132.02184	1.2
133.01434	0.8
133.02956	11.4
135.04533	2.7
147.03032	12.6
153.05458	1.1
161.02463	37.3
162.02794	1.2
164.20979	0.8
165.64912	0.8
173.00919	4.0
179.03532	3.1
180.56743	0.9
185.11781	1.2
191.01991	69.2
192.02332	0.9
203.30829	0.7
209.03052	1.6
211.13411	1.9
217.22661	0.8
218.72543	0.8
347.17130	4.2
359.13379	1.0
377.14578	0.8
383.54501	0.8
477.66156	0.9
491.19287	3.2
509.20334	19.8
539.19684	3.7
577.72723	0.8
683.21960	2.8
701.22888	16.4
702.23468	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	701.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40187	0.5
59.01385	100.0
60.92398	0.6
61.98828	0.6
95.47342	0.5
104.96776	0.5
245.38657	0.6
291.91431	0.6
437.12552	0.8
438.13284	5.1
439.13965	0.6
451.14038	0.6
452.15131	3.0
453.15979	1.0
457.79364	0.5
466.12537	0.8
467.13470	0.9
480.14658	1.5
481.15231	36.2
482.15759	4.6
495.16864	12.6
496.17523	2.2
497.18555	5.9
509.16214	0.6
514.14948	2.2
523.16064	0.8
525.14490	1.2
539.15698	2.8
540.16534	14.1
541.16895	1.4
551.19745	0.6
553.17310	0.7
554.18231	5.6
555.18903	63.3
556.19257	3.5
567.19470	1.4
572.15552	12.6
573.15735	0.8
577.16962	0.8
586.17139	6.1
587.17365	0.7
609.20416	1.5
627.21161	1.3
641.22626	29.5
642.22974	2.0
701.24707	63.6
702.24939	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	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.77259	3.1
72.30834	4.1
78.95908	3.6
151.09290	3.6
159.71436	3.1
246.12909	3.4
391.16327	4.0
481.15167	41.2
482.16022	4.1
495.16745	12.4
497.18256	7.0
513.06665	3.8
540.16974	18.7
555.10864	6.3
555.18939	73.8
556.19409	7.8
569.20117	4.3
572.15594	17.6
586.17059	5.0
641.22607	28.6
701.24756	60.0
702.24609	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	701.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26729	0.9
54.15542	1.1
55.19028	1.1
55.41747	1.0
57.03468	1.7
57.41991	1.2
58.87844	1.2
59.01379	10.4
61.17715	0.9
66.99852	1.2
69.03444	5.5
71.01383	8.4
71.05013	2.7
73.02949	2.2
83.01361	1.9
85.02950	2.7
87.00923	1.4
87.33212	1.0
89.02442	3.4
98.26153	1.1
99.00929	1.2
101.02446	3.5
115.00379	5.0
123.08182	1.3
125.09733	2.7
133.01463	8.6
151.11302	3.1
153.12909	1.4
160.01634	1.6
161.02434	1.4
161.09700	1.7
175.03993	2.0
179.10802	6.9
193.05099	1.9
197.04573	1.5
197.11845	84.0
198.12244	2.7
223.09691	1.2
239.47058	1.0
240.84425	1.3
241.10822	4.5
253.09265	2.1
345.32620	1.1
348.90292	1.2
477.19974	3.1
539.25061	2.5
541.30145	4.8
657.31793	2.4
683.28290	2.4
701.30310	100.0
702.30426	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	701.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70045	2.0
59.01384	2.1
59.82039	2.0
63.06553	2.1
71.01387	7.0
76.02592	2.0
79.93931	1.9
85.96239	1.9
98.21889	4.4
125.77682	2.2
133.78242	2.6
177.09193	3.7
192.11557	7.0
205.12384	2.8
211.13368	5.9
220.14690	39.5
221.15482	100.0
222.15826	4.7
236.10553	91.8
237.11049	2.9
261.92676	2.3
293.17609	82.1
639.04559	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93117	0.2
59.01426	0.2
61.37505	0.2
61.98835	100.0
65.18199	0.2
71.39474	0.2
76.94374	0.2
105.45619	0.2
195.67171	0.2
196.81499	0.2
382.10428	0.2
414.65036	0.2
683.49072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
57.03444	14.3
59.01382	29.9
61.98822	3.2
71.01381	16.5
71.39528	2.5
72.99297	2.0
73.02946	8.1
77.25241	2.1
77.82802	1.8
83.01391	22.2
85.02954	100.0
87.00877	3.7
89.02453	10.0
91.01896	8.9
95.01373	4.5
101.02434	11.8
108.02182	32.7
108.59081	1.6
111.00884	44.1
111.01656	2.1
113.02442	8.2
119.03477	4.3
123.00868	8.4
123.04539	40.2
124.01656	9.1
125.02473	4.1
129.01952	58.5
133.02957	4.3
135.04463	2.8
136.01715	5.7
137.02446	4.6
137.53308	1.9
152.01144	30.4
153.05574	10.0
154.99850	4.1
161.02440	11.8
164.04704	3.8
166.02716	6.2
167.03508	95.6
168.03819	3.5
173.00937	5.5
174.03217	4.8
176.04797	1.9
179.03476	2.9
179.05672	3.4
189.05629	4.5
192.04297	16.7
193.05109	2.7
203.05544	1.9
207.03014	1.9
207.06622	38.1
207.13867	5.0
211.06131	20.7
220.03654	2.9
235.06154	64.4
251.05737	2.2
261.04129	2.3
261.33624	1.8
279.05191	19.1
279.07959	3.1
293.39767	2.3
297.06116	6.5
319.22839	9.2
323.04141	7.0
369.19095	2.6
383.11627	2.3
436.47861	2.4
481.28177	3.7
499.29501	28.0
541.30157	85.2
553.12042	2.5
573.25647	5.3
659.29150	4.7
665.21429	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	703.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.2
57.03454	11.4
57.56025	3.4
59.01381	14.8
70.94682	3.5
71.01399	10.0
73.02943	4.2
79.95744	11.8
81.03449	4.8
81.44243	3.0
83.01416	19.5
85.02959	79.2
89.02445	7.9
91.01908	11.7
93.03457	11.9
96.96042	4.7
99.92628	3.3
101.02434	5.8
108.02188	19.7
109.02966	4.6
111.00890	37.6
113.02435	9.8
119.23964	3.4
121.02988	5.9
123.00887	6.6
123.04548	38.0
124.01727	7.7
129.01970	54.3
132.02267	4.4
133.02986	12.1
135.04532	7.1
136.01663	4.8
137.02435	11.6
152.01166	15.3
153.01935	6.7
153.05612	15.8
154.99951	4.9
160.01605	4.5
161.02460	38.6
167.03503	100.0
171.08189	16.1
173.00928	4.1
174.03238	3.4
175.04044	4.3
177.05586	6.6
179.03508	9.4
179.05678	3.8
192.04317	8.0
197.04559	9.4
204.03358	8.3
207.06703	23.5
211.06091	25.2
235.04320	91.4
235.06248	30.9
236.04662	37.6
240.23192	3.2
251.09262	3.9
265.07120	4.8
279.05222	9.5
279.08847	8.9
292.40643	3.7
340.69287	3.2
350.82947	4.8
383.12143	5.0
407.19702	3.9
471.19476	3.7
665.21423	6.2
702.73303	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	703.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03442	1.3
59.01384	100.0
60.01722	1.1
69.03471	2.0
71.01386	24.4
72.99322	1.4
73.02953	40.4
75.00896	1.1
81.03488	1.0
83.01393	11.1
85.02964	12.2
86.00127	1.1
87.00874	4.5
89.02454	8.5
95.01400	1.5
96.96023	1.2
97.02969	1.6
99.00896	2.9
99.04549	0.6
101.02453	46.4
102.02804	0.8
111.00878	0.7
113.02463	16.2
114.02836	0.8
115.00401	1.0
119.03519	6.5
125.02440	3.6
129.01938	1.1
131.03519	10.4
133.01495	1.9
133.02997	1.5
135.04547	0.9
137.02516	0.7
137.09729	1.2
143.03503	5.9
149.02570	0.7
149.04576	12.1
153.48164	0.6
155.03490	0.6
155.10812	4.5
159.03023	1.6
161.02614	3.0
161.04573	26.2
162.04866	0.6
179.03511	0.6
179.05643	1.8
185.11880	0.7
191.01956	0.9
191.05672	0.8
191.43254	0.6
197.04536	1.0
199.09764	2.9
203.05626	13.9
221.06673	29.2
222.07086	0.8
263.07733	32.2
264.07962	0.7
305.08856	10.6
323.09845	0.7
341.08905	1.4
479.19351	0.8
541.20026	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	703.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94481	0.8
55.01878	1.8
57.03457	10.4
59.01384	100.0
59.53772	0.9
61.12684	0.7
65.78850	0.7
69.03449	2.8
69.35032	4.3
71.01389	32.8
72.99302	0.9
73.02950	15.5
79.63864	0.8
83.01388	7.3
85.02956	16.7
87.00883	4.0
89.02461	5.8
95.01388	3.4
97.02944	4.0
99.00893	4.2
101.02451	23.2
111.00941	1.2
113.01729	1.4
113.02465	20.9
119.03510	2.6
119.49076	0.8
125.02457	6.0
131.03523	2.3
135.04549	2.3
137.09717	2.6
142.90381	0.9
143.03554	5.2
149.04582	1.3
151.11319	0.9
155.03487	1.0
159.03014	1.4
161.02513	1.5
161.04556	12.2
168.43660	1.0
179.03497	2.0
179.05621	6.5
192.11548	5.6
203.05634	12.3
207.13928	23.5
208.14267	1.0
221.06718	4.8
245.06613	1.4
260.15823	0.8
263.07715	4.3
305.08755	2.4
338.52090	0.9
356.87982	0.9
513.23364	6.9
531.24359	9.6
555.24512	4.2
573.25555	44.9
574.26050	4.2
615.26733	13.3
616.26874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69879	0.7
51.72541	0.6
57.03442	2.0
59.01385	8.2
67.39498	0.9
69.03466	4.2
69.32964	3.7
71.01390	6.5
71.05019	3.3
73.02942	1.7
83.01382	1.1
83.05057	1.0
85.02945	2.8
87.00887	1.5
87.32342	0.7
89.02473	4.3
95.01410	0.7
95.05025	0.9
97.02960	3.6
97.06582	1.5
99.00889	14.5
101.02470	4.0
109.06615	0.9
110.03779	1.2
113.02464	2.9
115.00384	0.8
117.95006	0.7
123.08162	2.4
125.09743	7.3
132.15305	0.7
133.01439	1.8
133.02863	0.9
135.04610	0.8
136.30518	0.7
145.03009	0.7
151.11386	1.3
153.12875	1.3
155.14418	0.8
161.02496	0.9
161.09709	2.4
163.11308	6.8
179.10818	3.7
181.12354	11.6
195.39960	0.7
197.04588	1.7
197.11847	32.5
199.13405	9.9
204.38773	0.6
207.10278	21.5
208.09804	0.8
225.11330	32.8
241.10768	2.8
243.12389	15.2
253.09262	0.9
400.64075	0.8
452.93558	0.8
456.42819	0.8
477.19711	1.8
479.21338	4.7
541.26794	0.9
547.21710	0.8
659.32861	2.8
685.30798	2.4
703.31885	100.0
704.32349	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	703.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03445	0.8
59.01384	22.2
71.01383	8.6
72.99325	0.5
73.02954	9.2
83.01398	1.7
85.02959	4.1
87.00887	0.7
89.02454	3.9
95.01420	0.7
99.00929	0.5
101.02446	8.0
113.02465	3.7
119.03503	0.9
125.02417	0.4
129.01964	0.5
133.02968	0.5
161.02426	1.0
161.04568	0.7
224.81026	0.3
231.17857	0.3
259.20541	0.4
301.21613	2.2
319.22787	11.8
319.26529	0.6
320.23041	0.5
321.24362	1.7
337.23853	1.1
481.28207	3.5
482.28903	0.4
499.29187	30.1
500.29214	2.1
536.25397	0.4
541.30188	100.0
542.30487	6.7
547.98248	0.4
583.31067	0.5
662.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96142	49.9
62.38073	54.6
70.52805	100.0
83.86938	46.6
89.36432	52.3
95.64008	48.3
101.98563	60.9
105.05973	59.8
113.43780	51.6
166.64888	52.1
171.10309	78.8
245.73434	51.6
407.96167	64.2
436.76575	60.3
492.27902	62.1
522.43945	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60906	72.4
70.97055	100.0
79.47961	64.7
88.19522	59.6
145.66183	67.3
209.47079	68.8
277.21887	94.5
571.31293	84.0
659.79059	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82616	0.5
57.03431	0.7
59.01379	2.1
59.50228	0.5
61.98834	4.1
67.74728	0.5
71.01385	1.3
83.37124	0.4
85.02979	2.4
92.69024	0.5
97.06629	0.5
97.11339	0.5
113.02454	0.9
118.96945	0.5
133.02975	1.3
135.04524	1.5
151.07668	1.1
161.02483	2.7
165.09312	0.6
179.03488	1.7
207.13922	1.6
231.10365	0.9
247.20985	0.7
249.14861	1.2
261.14975	1.4
286.47391	0.5
299.12796	1.0
300.13605	0.8
301.21649	0.9
307.22830	1.5
314.15134	0.6
319.22794	2.1
329.17560	5.1
335.14926	0.5
337.23859	100.0
338.24191	5.5
347.18765	2.5
376.88861	0.5
473.17511	2.0
473.67642	1.1
482.18085	0.7
600.72711	0.8
703.29114	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	704.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73062	0.2
55.77353	0.2
59.01382	8.3
60.01720	0.6
60.32314	0.1
61.01819	0.3
61.98834	100.0
78.95921	0.2
98.80773	0.1
112.61452	0.1
143.37335	0.1
152.99629	0.2
163.48587	0.1
209.11844	0.2
222.60408	0.1
311.68896	0.1
440.13766	0.2
441.14053	0.2
482.15570	0.5
483.15332	1.4
484.15472	1.9
485.16241	0.2
497.17267	0.3
498.16977	0.9
499.18616	0.2
500.18893	0.4
537.53284	0.2
542.16711	0.4
543.16534	1.0
556.19214	0.6
557.18719	2.3
558.19086	3.6
558.27832	0.2
574.15912	0.5
575.15894	0.5
588.17603	0.2
589.17114	0.3
611.99060	0.2
643.22650	0.5
644.22949	2.0
703.25092	0.4
704.24786	5.1
705.24127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42482	0.6
61.98836	100.0
70.33264	0.8
70.33572	1.0
171.89085	0.7
201.81593	0.7
223.42209	0.6
292.76334	0.6
392.52621	0.7
417.27182	0.7
641.34930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03462	2.6
59.01385	100.0
69.03491	1.5
71.01391	36.3
71.39908	1.2
73.02956	19.4
83.01396	8.0
85.02967	17.5
87.00881	3.5
89.02451	16.9
95.01396	2.1
97.02984	2.3
99.00900	3.4
101.02453	29.1
102.03329	1.0
111.00932	1.3
113.02468	20.4
119.03513	7.2
125.02490	4.9
129.01964	1.9
131.03529	6.0
133.02959	3.9
135.04539	2.4
137.02437	1.6
143.03497	6.3
149.02438	1.8
149.04553	4.0
149.06085	5.3
159.03011	2.0
161.02507	6.9
161.04570	19.9
163.04095	1.1
167.03625	1.1
175.03926	1.2
179.03697	1.6
179.05624	23.2
193.04971	1.2
201.01955	1.6
203.05646	12.4
221.06693	17.3
263.07745	18.7
305.08740	5.9
515.24921	2.7
533.26337	8.0
557.26221	3.4
575.27081	32.4
576.27728	3.1
617.28253	7.8
645.26410	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	705.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03452	2.4
59.01385	100.0
67.11479	0.7
69.03476	2.5
71.01389	30.7
72.99305	0.9
73.02949	14.0
75.00893	0.9
83.01400	7.8
83.26892	0.7
85.02956	19.4
87.00903	2.6
89.02446	10.3
94.81272	0.7
95.01404	3.8
97.02969	3.1
99.00909	4.7
99.58261	0.7
101.02451	22.9
109.02981	1.2
111.00925	1.5
111.85664	0.7
113.02457	18.2
119.03520	4.3
125.02459	5.1
127.04109	0.8
129.01964	1.3
131.03534	1.0
133.03020	1.7
135.04565	2.1
143.03508	5.3
155.94868	0.9
159.03050	1.8
160.01631	0.9
161.02498	3.6
161.04559	8.3
162.02852	1.6
167.03583	0.8
191.02118	1.2
194.05937	0.7
203.05682	2.3
221.06699	1.5
229.67958	0.8
238.59627	0.9
252.88589	0.7
263.07901	0.8
289.55533	0.7
309.44656	0.7
371.20767	5.8
413.22134	2.5
515.24921	13.5
533.26062	9.8
534.26733	0.9
557.26031	9.9
574.37103	0.8
575.27155	58.7
576.27234	3.8
617.28137	19.8
618.29504	2.1
705.30603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79407	0.8
55.01878	1.0
57.03455	2.3
59.01383	100.0
60.01701	1.5
66.94573	0.9
69.18653	3.3
69.19049	2.1
71.01385	31.0
73.02950	14.9
83.01387	7.2
85.02954	18.8
87.00875	2.1
89.02464	10.1
93.59391	0.9
95.01378	4.7
97.02982	5.0
99.00896	4.3
101.01804	1.6
101.02448	24.6
101.66773	0.9
109.02919	1.0
110.66828	1.0
111.26357	0.9
113.02452	18.6
119.03491	3.1
119.05273	0.9
125.02470	5.0
131.03542	1.1
133.02948	1.2
143.03496	5.1
155.03467	1.3
159.03043	1.5
161.02478	1.7
161.04578	10.0
177.83685	1.0
179.03430	1.3
191.01956	1.2
200.82721	1.0
203.05652	1.6
221.06783	1.4
249.05852	1.1
353.19699	1.1
371.20932	5.8
413.21790	2.9
457.33109	10.1
501.32135	3.7
515.25055	15.8
533.26086	13.8
543.33234	3.7
557.26062	7.0
575.27124	49.4
576.27319	4.9
617.28125	20.9
618.28400	1.7
661.30017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65113	0.7
55.01877	2.3
57.03452	3.8
58.91570	0.7
59.01386	100.0
60.01704	0.8
60.83248	0.6
61.98854	0.8
69.03472	2.3
71.01388	31.2
72.99326	1.6
73.02952	19.9
80.86216	0.7
81.03452	1.3
82.55640	0.7
83.01397	8.9
85.02957	19.3
87.00890	3.5
89.02456	7.5
91.11690	0.7
95.01421	3.2
96.96053	1.0
97.02998	2.6
98.22672	2.0
99.00901	5.2
101.02452	28.1
101.03120	1.6
111.00915	1.7
113.02457	20.8
119.03536	2.5
125.02456	5.7
127.04105	1.1
129.01938	0.9
131.03520	2.3
133.02966	3.6
135.04546	4.1
143.03510	6.6
149.04575	1.8
149.06038	0.9
154.52669	0.8
155.03529	0.9
159.03000	1.8
161.02495	7.5
161.04572	11.8
162.02817	1.0
179.03522	5.6
179.05730	1.0
193.05177	0.9
203.05698	3.3
209.15511	6.5
221.06792	2.9
222.07063	1.3
263.07867	2.0
265.08310	0.8
298.64523	0.8
305.08948	1.0
305.17590	1.8
327.90625	0.9
353.19705	4.1
371.20752	8.7
381.45093	0.8
413.21790	7.2
497.24051	2.1
515.25049	19.6
515.32123	1.3
516.25842	1.2
533.26038	12.1
557.26105	7.1
559.28003	0.9
575.27124	50.3
576.27661	2.2
617.28210	19.4
618.28748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16490	0.5
55.01868	0.5
57.03457	0.5
59.01116	0.9
59.01385	7.9
61.98822	0.6
66.79692	0.6
68.93952	0.5
69.19859	1.2
69.20269	1.8
71.01392	6.0
72.99318	0.8
73.02943	4.2
83.01415	0.5
85.02963	3.5
87.08402	0.4
89.02448	3.5
89.04012	0.5
91.05545	1.0
96.95981	1.0
97.10209	0.6
99.00889	12.8
101.02448	2.5
107.05045	2.6
108.02233	1.0
113.02464	2.1
115.00396	0.8
117.03479	1.5
125.02465	0.8
131.03488	1.1
132.02171	0.9
133.01443	1.4
133.02972	17.3
133.04001	0.9
134.03769	9.5
135.04539	100.0
136.04861	2.3
143.03531	1.8
147.03047	0.6
149.04665	1.2
149.05975	0.5
151.00333	0.7
152.01204	0.8
161.02463	45.3
162.02788	1.4
171.10301	1.6
179.03514	59.3
180.03888	1.5
191.01962	1.3
191.05611	1.3
197.11963	0.8
203.03642	0.6
203.05611	1.0
207.06680	1.1
207.10356	0.7
209.11801	0.6
225.11360	1.4
243.03043	0.8
243.12393	0.9
251.05588	5.6
255.02971	1.1
271.02548	0.7
285.04068	0.7
293.06699	8.4
299.01984	3.9
300.02490	0.9
305.89374	0.6
311.07742	30.9
312.07968	1.1
341.10245	0.9
353.08789	43.8
354.09186	1.7
395.09924	2.0
407.29810	0.6
437.11139	1.5
455.11984	0.6
463.09027	0.6
497.13071	18.1
498.13525	0.8
515.14319	2.0
516.13959	0.7
608.13922	2.3
633.31409	1.8
663.26782	0.7
687.32471	1.7
705.27539	7.6
706.27930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58155	1.7
57.03403	1.8
59.01363	1.9
61.98838	11.5
69.83011	6.0
71.01391	13.0
73.02943	5.3
78.98600	6.5
79.95743	10.8
80.96523	77.1
81.03490	1.9
81.21849	1.7
85.02953	6.6
87.00854	3.5
94.98089	19.9
96.95975	2.3
97.02993	2.5
101.02468	2.9
104.29172	2.0
106.98094	2.8
122.97601	4.1
125.02468	4.5
134.97589	7.2
135.04517	3.2
148.99126	4.5
152.98633	7.2
161.04597	2.2
164.98682	15.1
183.13963	2.9
206.99632	2.6
209.11838	7.1
210.11954	2.1
211.13370	7.9
223.13307	2.0
225.00745	26.1
227.12885	2.5
253.09447	2.5
493.17563	6.3
576.26257	2.1
705.31696	100.0
706.31940	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.23602	0.4
57.03440	1.8
59.01381	8.6
64.68282	0.5
69.03459	0.7
71.01388	5.0
71.05029	3.6
73.02942	1.7
83.01392	1.1
83.05018	1.3
85.02960	3.3
87.00865	1.2
89.02447	3.5
93.03462	0.5
95.01373	0.6
96.95998	1.7
97.02947	4.8
97.06591	3.6
98.12839	0.4
99.00888	23.4
101.02451	3.3
106.04240	0.6
106.99857	0.4
109.06585	1.3
110.03725	2.2
111.04508	0.5
113.02445	2.2
119.03561	0.7
123.08172	2.0
125.09736	8.8
127.11228	0.5
127.82932	0.4
128.27757	0.4
131.06421	0.5
133.01428	0.5
135.04536	1.6
135.08136	1.0
136.05296	1.1
143.03482	0.4
145.05028	0.5
149.12434	0.4
152.01207	0.5
153.12975	0.7
155.14449	0.7
161.02446	1.4
161.04526	0.6
163.11299	10.3
171.10268	1.8
179.03482	1.3
181.12352	18.8
183.17542	0.5
197.11900	2.4
199.11667	0.8
199.13417	12.2
201.11406	0.5
207.10274	34.4
208.10641	0.9
209.11783	1.4
225.11339	48.2
226.11612	1.1
243.12378	29.0
244.12701	0.9
253.09288	1.3
289.18097	0.6
299.01932	1.8
300.02515	0.6
307.19049	0.8
317.15991	1.1
322.68521	0.4
397.13373	0.6
415.14771	0.5
457.60577	0.5
461.20178	1.8
479.21396	9.7
489.27704	0.5
528.22058	0.5
543.28442	1.2
589.25903	0.6
608.13812	1.2
633.31555	0.8
661.31976	0.8
687.32257	4.1
705.33423	100.0
706.33813	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
68.14721	0.8
69.46737	2.7
78.95918	5.6
86.39941	0.8
87.61897	0.8
107.84185	0.8
110.98540	5.4
167.01151	2.4
219.71619	0.8
222.47533	0.8
277.21744	100.0
278.22034	4.1
308.61603	1.0
379.25977	0.8
427.22617	1.9
445.23535	5.3
705.45074	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	705.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
59.04480	1.6
62.60331	1.3
68.89950	1.4
70.26530	3.4
70.26879	1.7
78.95901	17.7
110.98531	11.6
112.74082	1.4
132.03767	1.5
162.51205	1.7
167.01123	3.4
193.86182	1.5
248.15840	1.5
273.19519	1.7
277.21735	100.0
278.22006	4.8
445.23532	4.4
605.64240	1.6
621.55304	1.4
635.46387	1.6
705.45245	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	706.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52702	0.6
58.00595	1.3
59.01384	29.1
60.01724	0.9
69.87226	0.7
70.23226	1.4
71.01389	9.6
73.02947	3.3
74.10416	0.9
83.01382	2.3
85.02955	5.5
87.00895	0.7
89.02457	4.2
95.01369	1.2
99.00888	1.0
101.02444	6.5
102.02805	0.8
102.78819	0.7
111.53795	0.7
113.02449	8.8
119.03533	1.0
125.02411	1.0
140.56143	0.7
143.03496	1.7
159.33076	0.7
161.02428	1.4
161.04518	4.4
174.65816	0.7
227.80876	0.7
250.88707	0.7
284.54697	0.7
372.20911	1.0
437.30618	3.0
439.32205	3.6
457.33258	100.0
458.33740	9.6
471.34866	2.4
501.32263	32.9
502.32410	2.2
516.25543	3.9
534.26514	2.3
543.33289	34.5
544.33618	2.7
558.26788	2.2
573.34296	5.4
575.26843	1.8
576.27649	11.2
577.28174	1.5
603.35504	3.5
618.28253	4.2
663.37225	2.4
719.84692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52583	0.2
59.01374	0.7
69.70059	0.3
69.70423	0.4
71.01382	0.4
79.95748	3.6
81.23226	0.2
84.51608	0.2
85.02938	0.4
87.68281	0.2
88.54355	0.2
89.02457	0.3
94.62359	0.2
96.96020	100.0
101.02448	0.4
115.00409	0.3
125.93472	0.2
133.01480	0.3
179.05551	0.3
225.42471	0.2
236.51558	0.2
255.03087	0.3
259.68939	0.2
271.02600	0.4
300.02692	1.0
301.03506	0.6
399.00345	0.4
411.00323	0.3
591.22931	0.5
609.14471	1.5
647.40308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98024	0.2
59.01383	0.9
68.14932	0.3
69.51353	0.9
71.01384	0.5
73.02963	0.3
77.10398	0.3
85.02956	5.0
87.00877	1.4
93.03459	2.3
98.74534	0.2
109.02975	0.6
111.04514	0.6
113.92832	0.3
127.04016	1.2
133.02956	1.1
135.04535	1.0
139.99908	0.2
161.02463	1.3
171.02972	0.3
173.04555	1.0
173.90150	0.2
179.03619	0.6
191.05624	100.0
192.05956	3.0
276.78168	0.3
351.07147	0.6
353.08798	13.0
354.09082	0.9
376.31729	0.3
673.24146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01386	11.0
60.15291	0.6
67.41991	0.7
68.10410	0.8
69.46196	1.3
69.46586	1.5
71.01387	20.9
72.99321	0.9
83.01357	0.7
84.39542	0.9
85.02947	2.8
86.34129	0.7
89.02452	8.0
98.22671	1.1
99.04477	0.6
101.02454	4.0
102.80316	0.6
109.02987	1.2
113.02444	2.4
115.00382	23.3
118.77439	0.7
119.03497	3.2
132.02226	1.0
133.01442	19.6
133.02968	22.9
134.02060	0.7
134.03720	2.2
135.04538	33.4
136.04916	0.8
148.05322	1.5
149.06104	5.8
161.02457	100.0
161.13417	2.2
162.02780	3.1
175.04068	1.1
177.05569	11.8
179.03514	41.8
179.05531	1.6
180.03845	1.4
191.02043	0.9
205.12357	3.0
221.04553	19.7
222.04848	0.8
238.27362	0.7
246.17429	0.9
249.11366	2.0
251.05617	13.9
255.97476	0.7
281.06668	21.5
282.07016	1.1
303.73114	0.7
323.07748	2.4
341.08823	26.4
342.09161	1.3
385.18762	2.1
429.17627	4.8
504.34537	0.7
547.21881	24.0
548.22144	2.2
591.20911	39.4
592.20813	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01381	10.6
70.39871	0.6
71.01393	6.1
73.02941	2.6
83.01395	0.9
85.02951	5.0
89.02452	3.0
89.03992	0.4
95.01393	0.9
97.02972	0.5
98.22054	0.6
99.00950	0.7
101.02440	2.3
108.02216	0.4
108.49654	0.5
113.02459	4.2
117.03495	1.0
119.03523	0.7
119.05028	2.4
121.43129	0.5
123.04537	0.6
123.08156	0.7
125.02470	0.7
129.01978	0.6
130.80490	0.5
131.03470	0.6
132.02182	15.0
133.02934	1.9
134.03757	12.6
135.04538	1.2
137.06093	2.0
143.03485	0.8
149.06111	1.7
160.01672	57.7
161.02432	6.2
167.03477	0.9
175.04015	100.0
176.04341	2.9
178.02687	0.8
179.03484	1.1
191.01991	1.1
193.05077	10.8
203.05638	0.6
217.12628	0.4
235.06117	0.7
281.10272	1.0
288.99066	0.5
341.12131	0.5
430.18268	0.5
445.17001	0.8
469.17545	0.8
487.18195	2.4
577.19476	1.0
663.22943	35.4
664.23376	4.2
687.90399	0.5
707.23553	1.0
733.75592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03436	0.9
59.01382	8.5
61.98824	0.7
62.44573	0.4
68.99792	0.6
69.03446	0.6
69.31339	0.4
69.65064	0.6
69.65406	1.9
71.01378	6.7
73.02943	1.1
80.57699	0.5
83.05026	0.5
85.02953	6.0
87.38870	0.5
89.02449	3.9
95.01354	1.2
96.96014	0.8
97.37026	0.5
99.00900	2.1
101.02457	3.2
111.00881	0.7
113.02458	8.3
115.00397	0.9
117.03478	3.1
119.03546	1.2
119.05022	2.5
132.02173	2.2
133.02969	35.6
134.03705	0.9
135.04504	5.7
137.06041	0.6
145.02954	3.5
161.02455	100.0
162.02791	3.2
163.11256	0.5
179.03505	2.4
181.12404	1.0
185.00957	0.7
199.13506	0.7
201.11337	0.8
203.03613	0.6
207.10359	1.7
209.11937	1.4
225.11337	3.6
243.12476	1.7
309.20789	1.2
445.17032	1.1
479.22092	0.5
501.29691	0.5
509.35001	1.0
534.02087	0.7
546.79388	0.6
591.20508	0.6
607.20361	47.1
608.20630	6.1
663.32587	1.9
675.19446	8.4
676.19922	0.9
689.33844	4.0
707.21985	3.2
707.35608	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	707.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12627	0.7
53.26170	0.7
57.03449	2.2
59.01386	19.7
59.13306	0.7
71.01385	19.2
71.42300	0.8
73.02943	2.4
75.00883	0.7
76.40027	0.7
83.01382	1.6
85.02953	14.3
87.00937	0.8
88.98795	1.9
89.02446	8.2
91.05565	0.9
96.95993	1.6
99.00900	2.8
99.04555	1.6
101.02457	7.2
107.05036	1.3
109.02930	1.0
111.00947	1.4
113.02460	4.8
115.00373	10.9
119.03512	2.9
129.01953	2.1
131.03461	1.1
132.02174	2.0
133.01436	2.5
133.02963	26.8
134.03755	6.2
135.04535	71.2
136.04872	1.4
137.02327	1.0
147.02972	0.8
148.05345	1.1
149.04720	0.7
149.06104	5.1
161.02458	100.0
161.13383	3.5
162.02820	2.8
166.37166	0.8
170.04453	0.8
173.00888	1.6
177.05563	9.5
179.03506	55.2
180.03859	1.8
205.12271	6.5
221.04561	12.1
249.11247	4.2
251.05637	11.7
255.76662	0.7
269.73889	0.7
281.06693	19.3
300.15485	0.8
323.07782	1.7
341.08737	16.7
359.13498	1.2
385.18542	1.5
409.08762	0.9
429.17664	14.9
430.18478	0.9
499.29092	2.3
521.19495	1.0
547.21942	14.7
591.20880	48.7
592.21094	5.6
647.26202	0.8
665.28687	4.2
707.29333	17.3
708.29883	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	707.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16755	0.3
55.09086	0.4
57.29800	0.4
59.01384	0.6
68.00871	0.4
71.01388	0.9
81.56590	0.3
85.02945	1.1
89.42995	0.4
94.98672	0.4
95.01406	1.8
98.21791	0.6
101.02429	0.9
113.02424	0.6
123.00896	22.7
124.01257	0.6
134.83377	0.4
137.02432	0.7
138.03241	37.0
139.03537	1.1
153.05583	13.7
163.46552	0.4
166.99875	8.4
179.05608	0.7
181.01401	1.0
181.45665	0.4
182.02223	37.7
183.02502	1.3
190.75378	0.4
191.01997	0.6
194.75610	0.4
197.04562	100.0
198.04912	3.5
209.02945	0.5
239.05629	0.5
245.84798	0.4
359.09851	34.8
360.10159	1.5
400.46945	0.5
503.16370	0.4
568.70251	0.5
585.96326	0.4
599.42908	0.4
671.24512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.9
59.24895	0.5
65.48683	0.5
69.10941	3.5
71.01388	6.4
72.41641	0.5
73.02959	2.6
83.01392	0.6
84.81681	0.4
85.02950	4.4
87.00893	1.7
89.02438	3.8
93.03469	0.5
97.98400	0.5
99.00864	0.7
101.02431	3.9
105.03471	1.3
113.02481	3.3
117.03474	1.3
127.04057	0.8
131.03497	3.7
132.02162	2.5
133.02972	40.0
134.03697	1.8
135.04538	11.5
136.04921	0.8
155.91948	0.5
160.01671	0.7
161.02463	100.0
162.02829	3.0
179.03525	6.1
191.05649	1.1
216.83205	0.5
267.10782	1.3
274.56351	0.5
302.63434	0.6
413.16879	0.8
536.80829	0.5
545.20825	1.7
575.19476	1.2
707.24060	49.2
708.24292	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	707.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60862	1.6
57.03448	2.9
58.42934	1.6
59.01384	77.2
62.00212	1.3
67.38258	1.4
69.25452	8.9
71.01388	57.9
71.93081	1.4
73.02956	2.0
81.07104	2.1
82.95428	18.5
83.01394	2.6
83.11402	1.6
85.02959	17.0
87.00883	2.8
89.01941	3.2
89.02456	39.5
94.49738	1.5
95.01411	4.0
96.96010	8.4
97.02911	1.8
98.22727	2.7
99.04537	10.6
101.02452	21.9
106.44229	1.6
111.04525	3.7
113.02455	26.2
115.00397	17.5
118.24593	1.5
119.03508	15.8
131.03505	2.0
133.01453	5.1
133.02971	3.7
134.03783	1.9
135.04547	5.1
138.25609	1.5
143.03513	4.4
161.02510	8.1
161.04576	10.5
161.13376	19.4
163.47400	1.6
176.99084	1.6
179.03439	2.3
179.03958	2.1
179.05643	22.9
187.11348	7.3
205.12357	44.6
249.11331	92.3
250.11617	3.9
280.45413	1.9
291.12744	1.7
385.18488	5.1
411.16623	44.2
412.16669	2.4
429.17691	100.0
430.17770	9.0
443.94720	1.7
591.23126	13.3
707.23615	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	707.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32026	0.7
54.90668	0.7
55.01881	1.9
55.36092	0.7
57.03442	1.9
58.00590	1.3
59.01385	98.4
71.01387	40.5
71.05029	1.6
72.99318	1.1
73.02954	29.8
73.03370	1.6
83.01402	7.1
85.02955	9.9
87.00897	1.0
89.02448	24.6
95.01377	2.5
98.22694	1.8
99.00896	0.9
99.04540	3.7
101.02456	30.3
113.02464	10.1
119.03513	9.6
131.03510	2.0
133.03008	0.8
135.04462	0.9
143.03485	1.2
149.04582	1.6
161.02472	2.5
161.04602	2.7
161.13425	1.5
179.03474	1.4
179.05548	1.3
196.87796	0.7
199.04367	1.8
200.02545	0.7
217.15977	3.3
235.08397	0.9
261.14954	3.5
289.61035	0.8
398.75018	0.8
441.21146	3.6
483.22391	100.0
484.22736	8.4
663.28723	52.1
664.29053	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	707.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67869	0.3
59.01382	7.0
69.22072	0.9
69.22474	0.9
69.84838	0.3
71.01389	4.0
72.99298	0.4
73.02946	3.1
83.01378	0.5
85.02950	3.5
89.02460	3.2
89.03973	0.6
91.05552	0.7
96.96015	0.6
98.51057	0.3
99.00888	10.2
101.02451	1.5
106.04228	0.4
107.05025	2.3
111.00909	0.3
113.02464	1.9
115.01957	0.4
117.03472	1.6
119.03448	0.4
122.78521	0.4
125.02460	0.5
131.03511	0.9
132.02170	1.2
133.01479	0.4
133.02968	16.7
134.03772	9.6
135.04536	100.0
136.04863	2.7
149.04546	0.7
152.41034	0.3
161.02455	42.3
162.02802	1.2
168.38496	0.3
179.03513	61.3
180.03873	1.6
191.05652	1.0
209.02907	0.3
209.11890	0.7
243.12360	0.4
311.08054	0.3
341.09467	0.3
353.08749	0.5
497.13138	0.4
663.31256	0.7
665.28052	1.2
689.34155	0.6
707.29199	43.7
708.29669	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	707.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67869	0.3
59.01382	7.0
69.22072	0.9
69.22474	0.9
69.84838	0.3
71.01389	4.0
72.99298	0.4
73.02946	3.1
83.01378	0.5
85.02950	3.5
89.02460	3.2
89.03973	0.6
91.05552	0.7
96.96015	0.6
98.51057	0.3
99.00888	10.2
101.02451	1.5
106.04228	0.4
107.05025	2.3
111.00909	0.3
113.02464	1.9
115.01957	0.4
117.03472	1.6
119.03448	0.4
122.78521	0.4
125.02460	0.5
131.03511	0.9
132.02170	1.2
133.01479	0.4
133.02968	16.7
134.03772	9.6
135.04536	100.0
136.04863	2.7
149.04546	0.7
152.41034	0.3
161.02455	42.3
162.02802	1.2
168.38496	0.3
179.03513	61.3
180.03873	1.6
191.05652	1.0
209.02907	0.3
209.11890	0.7
243.12360	0.4
311.08054	0.3
341.09467	0.3
353.08749	0.5
497.13138	0.4
663.31256	0.7
665.28052	1.2
689.34155	0.6
707.29199	43.7
708.29669	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	707.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66502	1.6
52.58517	1.3
52.63325	1.4
55.01883	1.7
59.01385	32.1
61.98823	5.6
67.38649	1.6
69.03454	1.5
69.35998	6.8
69.36392	3.6
69.50597	1.5
71.01388	21.6
73.02950	5.2
83.01367	2.9
83.90161	1.7
85.02957	5.7
85.66468	1.6
87.00872	3.8
89.02450	18.0
93.10422	1.5
96.96018	3.2
97.02946	1.7
101.02440	13.6
111.08181	12.4
113.02441	7.4
119.03512	3.1
125.02444	4.6
133.01451	1.5
143.03532	2.0
161.02380	2.0
161.04575	4.6
165.09203	4.4
169.12363	5.6
179.05632	3.5
197.11848	55.6
198.12173	2.2
199.13419	2.8
211.13435	7.2
227.12979	3.3
235.08295	3.7
253.09224	2.3
263.20355	3.1
291.19669	14.6
309.20752	100.0
310.21094	7.1
397.13525	23.2
398.13953	2.1
415.14557	34.7
515.67938	1.7
548.84821	2.1
671.44177	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	708.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98834	100.0
64.67539	0.4
85.02984	0.6
86.47316	0.4
96.96038	0.8
103.54379	0.5
109.65190	0.5
122.67712	0.5
222.07980	3.7
237.10402	2.3
249.06670	4.9
250.07465	2.9
251.12086	0.5
256.07556	0.5
263.08276	1.0
263.11972	0.8
264.09109	2.1
265.09833	13.5
266.10092	0.6
276.09048	0.9
277.09961	1.9
278.10574	0.9
279.62625	0.5
291.11523	0.9
297.12558	2.1
301.32108	0.5
304.08554	0.7
312.54678	0.5
319.10870	7.1
324.04892	0.6
351.13516	25.6
352.13837	2.3
383.16113	10.7
384.16516	1.2
409.46414	0.5
418.18048	0.7
469.32718	0.5
505.22543	1.3
516.89526	0.6
523.23181	10.8
524.23560	0.9
615.28864	0.8
627.28082	6.2
628.28943	0.9
645.29327	33.5
646.29767	5.3
683.25256	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	708.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.9
61.98835	100.0
71.01397	4.9
85.02960	2.1
89.02452	4.9
90.39376	0.9
96.95968	1.0
97.02950	2.9
101.02457	4.0
113.02456	1.4
115.85713	0.9
119.03508	1.2
125.02427	1.1
135.04485	0.9
143.03584	1.2
161.02489	1.5
161.04414	1.0
171.10208	1.1
179.05696	1.2
197.11784	1.3
209.11864	2.5
222.08035	4.4
227.12845	1.0
237.10266	2.0
238.51358	0.9
249.06752	3.7
250.07439	5.0
263.08438	1.6
263.11530	0.9
264.09125	2.7
265.09821	16.1
277.09833	2.6
278.27536	0.8
291.11536	2.0
291.19843	5.8
292.20038	4.0
297.12781	1.7
304.08337	2.1
309.20743	10.4
310.21136	12.4
319.10953	8.2
334.40091	0.9
334.69107	1.1
351.13501	27.1
352.13959	1.8
383.16068	14.7
397.13611	6.1
398.14151	4.5
415.14630	4.9
416.14801	2.7
485.30875	0.9
505.22104	1.2
523.23285	12.2
524.23358	1.1
539.54175	0.9
627.28406	6.9
628.28735	1.2
645.29321	39.1
646.29803	5.1
694.23871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88780	0.2
59.01377	1.1
61.98833	100.0
71.01398	0.6
73.02935	0.2
85.02964	0.3
89.02473	0.5
96.36597	0.1
99.00917	0.2
101.02454	0.4
113.02475	0.2
115.85996	0.1
116.48785	0.1
119.03517	0.2
121.61347	0.2
134.03780	0.2
196.15269	0.1
197.11897	0.6
198.12268	0.4
250.07680	0.2
265.10007	0.3
291.19675	0.3
292.20126	0.4
309.20721	1.5
310.21051	1.5
341.67975	0.2
351.13480	0.4
364.11035	0.2
383.15985	0.2
386.15335	0.2
397.13632	0.4
398.14163	0.3
415.14841	0.6
416.15039	0.5
418.18216	0.2
424.10696	0.2
479.31323	0.2
641.26630	0.2
645.29224	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	709.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09035	0.3
52.67793	0.3
59.01385	7.8
69.03468	0.6
71.01386	4.9
73.02966	1.5
81.03466	0.6
83.01376	0.6
85.02953	2.5
89.02464	1.1
89.03965	0.4
94.97695	0.3
95.01379	0.6
97.02943	0.7
99.00886	0.3
101.02457	1.1
105.03490	0.7
107.05077	0.3
113.02460	4.8
117.03493	1.1
123.04536	2.0
125.02442	1.0
131.62444	0.3
132.02193	2.6
133.02971	42.5
134.03346	1.1
135.04536	11.0
140.24745	0.3
153.05577	1.3
155.03618	0.4
161.02460	100.0
162.02811	2.9
166.56764	0.3
179.03557	2.1
189.79416	0.3
197.54506	0.3
203.03596	0.3
203.05537	0.4
204.13365	0.3
276.27463	0.3
297.09763	0.6
315.10699	1.3
322.65036	0.3
344.45212	0.3
357.12488	0.3
461.16464	1.0
466.31644	0.3
503.17709	4.9
504.18015	0.5
601.92712	0.3
623.19757	0.7
665.20892	45.8
666.21362	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	709.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29099	0.5
59.01385	7.9
69.58890	1.0
69.59272	1.3
69.93461	0.5
71.01392	5.2
73.02942	1.7
83.01376	0.8
85.02961	4.6
89.02456	1.3
92.96903	0.5
95.01399	0.7
95.05049	0.6
97.02960	0.9
98.21881	1.0
101.02444	1.8
103.13499	0.6
105.03477	1.3
107.05039	0.7
111.00868	0.7
113.02465	4.4
117.03480	1.0
123.04532	1.4
125.02467	1.6
132.02199	2.1
133.02968	38.7
134.03438	0.5
135.04533	13.4
136.04890	0.7
143.03545	0.6
152.01114	0.7
153.05644	1.9
155.48029	0.6
161.02457	100.0
162.02827	2.3
179.03502	2.5
191.02008	1.1
203.05630	0.6
255.02838	0.6
271.02524	1.6
300.02759	3.1
315.10797	1.0
315.75323	0.6
345.16846	0.7
503.17773	5.9
504.18481	0.8
549.23254	0.9
609.14697	2.5
623.20514	0.6
665.20917	42.9
666.21271	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	709.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
71.40749	0.8
152.09892	0.8
167.14815	0.8
218.05823	0.9
231.10814	0.9
279.23340	2.5
306.84036	1.0
334.60999	0.9
436.35892	0.8
452.15228	2.6
480.14154	1.1
481.14969	5.3
493.14319	1.3
495.16693	12.1
496.16977	2.0
508.17783	2.2
509.17383	1.2
535.16229	1.3
536.17139	2.8
540.16534	2.6
551.19440	34.4
551.27850	1.8
552.19672	5.5
554.17639	2.2
555.18622	1.4
572.15326	2.0
573.17395	2.0
586.17126	1.2
595.18799	5.7
596.18823	1.4
617.16602	4.6
627.21039	100.0
628.21375	17.3
649.19086	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	709.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
56.65925	0.2
57.03444	0.4
58.00596	0.2
59.01381	7.3
69.85731	0.1
71.01387	6.4
71.40991	0.2
73.02947	2.1
77.03971	0.4
81.03437	0.2
83.01384	0.7
85.02958	3.5
86.00108	0.3
87.00875	1.6
89.02451	2.3
89.03947	0.3
95.01407	0.3
95.05050	0.3
97.02957	0.2
99.00888	0.5
99.04494	0.2
101.02448	4.1
103.04014	0.3
104.02720	0.2
105.03470	0.7
107.05063	0.4
109.02975	0.5
113.02466	2.2
115.01930	0.3
116.01076	0.1
117.03482	1.6
121.02956	0.1
123.04538	0.6
127.04051	0.8
129.01952	0.2
131.03519	3.2
132.02173	2.9
133.02966	38.8
134.03825	2.0
135.04539	10.6
136.04881	0.3
137.02487	0.3
140.28043	0.2
143.03529	0.2
145.05081	0.3
149.04616	0.3
159.02980	0.3
160.01686	0.8
161.02457	100.0
162.02806	2.2
175.04024	0.7
178.02750	0.2
179.03506	4.6
180.03949	0.2
191.05591	1.4
193.05072	0.3
212.54030	0.1
269.10291	1.4
415.16159	0.9
464.10837	0.1
547.20471	1.8
557.80676	0.2
577.19171	0.6
709.23511	48.0
710.23773	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	709.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42273	1.1
55.01888	2.2
55.08299	1.0
56.87038	1.0
57.03458	12.2
59.01385	12.4
68.99815	1.0
69.21108	1.1
69.29404	5.3
71.01391	7.7
72.20542	1.1
72.99319	2.0
73.02973	1.9
75.00880	2.6
83.01399	3.0
84.02158	2.1
85.02960	100.0
86.03320	1.3
89.02478	2.0
98.21879	2.2
101.02466	1.6
111.00916	6.4
113.02450	5.7
115.00384	1.6
129.01976	11.6
132.02113	1.2
133.01433	1.2
133.02963	16.9
134.03748	2.4
135.04538	16.2
147.03011	22.1
160.01663	1.5
161.01108	1.9
161.02461	36.1
162.02919	3.0
173.00925	2.3
179.03537	14.6
180.03853	1.9
182.42712	1.1
191.01997	55.2
191.24992	1.1
192.02391	1.2
193.05128	1.3
196.79642	1.1
221.02684	1.4
223.19467	1.0
241.20827	1.2
500.67767	1.2
502.09348	1.1
517.31824	1.4
691.33105	2.2
693.21283	2.0
693.70862	1.6
709.20575	6.8
709.34528	32.3
710.20789	1.9
710.34198	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	709.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88109	6.4
59.01395	38.7
61.98837	12.6
66.19482	7.3
69.62792	6.5
70.18539	14.6
71.01355	7.3
79.31543	5.4
86.30703	6.9
89.02461	8.5
94.54996	6.7
139.97382	5.9
153.94218	6.0
199.09813	26.9
211.13376	100.0
224.80537	6.3
235.08237	11.7
253.09366	10.0
279.23322	25.6
287.08884	6.6
316.99094	6.3
397.13556	14.6
447.22299	7.7
549.31427	7.2
593.29938	7.1
655.33856	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	710.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89874	0.6
57.27467	0.5
59.01374	1.0
61.21609	0.6
71.01371	1.3
79.58720	0.7
89.02416	0.9
101.02460	1.2
127.11330	1.3
161.04585	1.1
171.10287	100.0
172.10588	1.9
235.08302	1.7
253.09291	5.9
277.21738	49.1
278.22052	1.7
279.23477	1.0
298.20123	0.7
407.19470	3.5
625.03754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28537	1.4
53.61792	1.3
59.01372	2.0
62.70354	1.5
65.18713	1.5
70.18743	3.5
78.95910	2.2
87.78478	1.4
89.02429	1.4
99.70798	1.2
101.02435	1.9
108.99514	1.4
171.10281	93.3
172.10591	3.0
235.08252	4.3
253.09348	7.1
277.21744	100.0
278.22055	5.6
403.98758	1.6
407.19086	1.9
710.39801	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	711.1422
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.67392	1.0
57.03469	1.0
59.01373	2.4
69.40758	4.2
71.01382	1.3
85.02955	5.6
117.91730	0.9
121.02955	1.2
122.53950	0.9
133.03012	1.2
134.03758	0.9
135.04517	1.2
151.00375	6.3
161.02444	1.2
175.00531	0.9
179.00009	1.3
179.03619	1.2
191.01964	1.7
192.02446	1.0
199.04021	3.1
207.61972	1.0
226.02631	1.1
227.03548	3.2
243.02911	4.4
255.02911	1.6
271.02499	57.4
272.02905	3.4
299.01990	100.0
300.02670	14.4
301.03555	31.8
302.03772	1.3
343.04388	1.4
346.91245	0.9
462.02219	1.5
462.08130	18.5
463.08783	10.7
505.10049	10.0
623.30573	0.9
625.13812	1.9
644.86658	1.0
667.15259	72.0
668.15491	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	711.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88774	0.8
55.01883	1.7
56.63279	0.8
57.03448	1.9
59.01385	100.0
69.03448	2.4
69.41712	4.4
71.01389	26.4
73.02950	14.9
75.00858	1.2
78.75758	0.9
83.01386	7.9
85.02954	17.9
87.00889	2.2
87.04523	76.9
89.02428	4.8
95.01393	2.2
97.02954	3.6
99.00894	3.7
99.04584	1.0
101.02453	19.1
109.02947	1.2
111.00836	2.0
113.02457	15.8
119.03491	1.5
125.02446	8.1
127.04002	1.2
131.03467	1.1
137.02571	1.1
143.03543	5.3
159.03024	1.4
161.04585	6.3
185.04570	1.1
201.97707	0.9
203.05655	2.3
245.06767	1.2
289.16650	1.4
377.21848	3.8
419.22763	2.4
461.24265	1.2
485.24411	1.0
521.26062	15.1
539.27142	12.7
563.27020	6.8
581.28204	58.1
582.28577	3.4
623.29346	13.8
624.29443	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	711.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.8
69.29842	12.1
71.01388	26.8
81.03458	4.3
85.02959	20.7
89.02442	29.8
89.50229	2.3
95.05000	3.2
97.02946	21.2
99.00879	14.7
101.02463	13.8
113.02453	19.3
119.03504	17.8
119.05019	3.8
121.03007	3.2
123.04520	3.1
125.02480	14.7
127.39980	2.5
137.06027	3.0
139.04021	17.3
157.05054	11.4
161.04556	5.8
165.05571	17.6
179.05605	14.7
183.06627	39.6
191.01974	3.6
201.07735	34.0
246.27249	2.5
249.74599	2.2
263.03851	2.5
363.08401	5.3
363.12988	100.0
364.13187	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	713.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63939	4.3
59.01362	6.5
67.01894	6.0
70.78440	8.4
85.02975	12.0
87.00887	5.0
93.03472	53.0
105.03488	14.7
109.02955	13.4
122.63570	4.2
133.02968	76.8
135.04561	28.3
155.03528	4.5
161.35840	5.1
172.77657	5.1
173.04565	31.4
177.01965	39.9
179.03523	10.4
187.51808	4.7
191.05624	83.8
215.05640	46.6
306.59225	5.1
328.96552	4.4
351.07190	100.0
375.06802	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	713.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.6
60.99311	20.8
71.01382	3.9
78.19006	0.7
85.02964	5.1
88.98814	100.0
89.02447	1.7
95.01412	1.9
96.95976	0.8
98.21835	2.0
101.02451	1.1
113.02450	9.6
132.02156	0.9
133.02965	24.5
135.04521	10.5
161.02466	78.3
162.02808	2.6
179.03470	3.5
228.95032	0.8
292.47827	0.8
303.57120	0.9
392.65292	0.8
403.73135	0.9
461.16769	3.9
623.19843	72.0
624.20050	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	713.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81375	1.4
57.03447	3.2
59.01381	7.2
69.45055	7.0
71.01383	29.6
73.02977	1.5
85.02948	19.4
89.02467	2.9
93.03469	2.7
101.02480	3.6
108.02212	2.1
115.00391	20.1
119.05051	3.3
121.02993	2.6
122.03746	9.4
123.04546	6.5
129.01971	3.6
132.02206	1.8
133.01450	1.8
133.02994	5.1
134.03732	5.2
135.04495	5.8
146.03755	5.5
147.03033	2.3
147.04599	2.3
149.02469	7.3
149.06094	3.0
150.03232	55.3
151.04021	21.9
158.85872	1.4
161.02480	14.2
161.06071	2.8
163.04102	2.1
164.04781	4.8
165.05595	45.0
178.02806	1.8
179.03503	3.4
179.07135	23.9
180.04254	3.5
181.05093	16.2
191.02040	2.8
191.03596	2.0
191.07120	2.8
193.05087	4.8
195.06587	9.8
196.07169	1.7
197.04669	1.8
205.05072	2.5
223.07748	1.5
264.07736	1.9
265.05103	2.9
266.05728	1.9
267.02991	4.1
267.06345	1.7
279.06628	4.9
281.04321	1.8
282.05331	3.0
295.06323	2.1
295.09836	3.7
296.06937	4.0
297.07629	4.5
308.06946	2.0
309.07715	2.9
309.11462	2.0
310.98071	1.8
311.09402	2.3
312.09756	1.7
323.08139	2.5
324.06335	5.4
335.56909	1.7
336.06534	1.8
337.07190	6.5
338.07706	3.9
339.08682	5.8
351.08679	2.9
352.09265	2.2
353.06854	8.0
353.10046	7.3
354.07208	3.0
355.08243	4.9
356.08990	6.4
359.09698	4.5
368.09189	9.5
369.09760	11.3
370.10580	10.9
371.11304	14.8
381.09933	2.2
383.11499	19.4
399.10791	6.6
400.11432	2.5
401.12500	8.2
455.97675	1.6
473.14307	2.6
475.18048	1.9
475.79163	1.7
509.20773	1.9
519.16492	2.7
520.17548	1.8
533.18445	3.1
537.18530	2.1
549.17645	7.2
576.33698	1.9
579.18646	2.8
597.19812	100.0
598.20123	10.8
697.45416	1.9
713.47870	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	713.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57198	0.8
55.01877	1.5
57.03456	10.6
58.65721	0.7
59.01380	13.6
71.01389	8.1
72.64289	0.8
72.99323	0.9
73.02953	1.0
75.00858	2.8
83.01395	3.2
85.02956	100.0
86.03298	1.5
86.29663	0.9
87.00872	1.7
89.02447	4.0
101.02456	4.9
111.00887	8.1
113.02438	3.0
115.00378	1.6
119.03491	1.9
129.01959	19.1
133.01442	3.4
134.03751	10.8
135.04453	1.1
136.96431	1.0
147.03018	4.9
149.06082	1.1
160.01698	1.9
165.09155	2.7
173.00943	11.6
175.04015	3.7
178.02736	1.0
183.10109	1.1
191.01984	4.2
193.05058	10.6
225.44414	0.9
228.74687	1.1
261.07510	1.6
323.07687	3.4
327.14481	4.2
345.15536	15.4
346.16159	1.2
349.19992	1.8
367.06784	3.3
413.17957	1.8
457.17361	1.4
475.18198	3.3
519.17242	5.6
537.18091	6.6
553.26636	1.9
583.95020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03451	12.8
59.01381	15.3
69.20126	2.3
71.01384	8.8
72.99301	1.4
73.02958	1.2
75.00876	2.6
83.01401	3.5
85.02956	100.0
86.03292	2.0
87.00884	1.4
89.02447	4.5
95.01394	0.8
101.02455	4.0
103.00419	0.5
111.00888	6.8
113.02455	2.9
115.00372	1.9
117.03516	0.8
119.03493	1.9
122.56622	0.5
129.01961	16.5
133.01436	1.2
134.03770	6.9
135.04483	0.8
147.03015	6.2
160.01628	1.7
161.02487	1.5
165.09187	1.1
173.00938	7.8
175.04013	1.1
191.00227	1.0
191.01988	20.4
193.05090	4.3
323.07776	1.7
327.14456	2.3
345.15536	16.9
346.15970	0.8
367.06827	3.6
413.18103	1.4
457.17081	1.7
475.18240	5.6
501.16028	0.7
519.17218	6.2
537.18262	15.4
538.18750	1.0
553.26764	0.7
555.42926	0.5
669.33502	0.9
713.22461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03451	12.8
59.01381	15.3
69.20126	2.3
71.01384	8.8
72.99301	1.4
73.02958	1.2
75.00876	2.6
83.01401	3.5
85.02956	100.0
86.03292	2.0
87.00884	1.4
89.02447	4.5
95.01394	0.8
101.02455	4.0
103.00419	0.5
111.00888	6.8
113.02455	2.9
115.00372	1.9
117.03516	0.8
119.03493	1.9
122.56622	0.5
129.01961	16.5
133.01436	1.2
134.03770	6.9
135.04483	0.8
147.03015	6.2
160.01628	1.7
161.02487	1.5
165.09187	1.1
173.00938	7.8
175.04013	1.1
191.00227	1.0
191.01988	20.4
193.05090	4.3
323.07776	1.7
327.14456	2.3
345.15536	16.9
346.15970	0.8
367.06827	3.6
413.18103	1.4
457.17081	1.7
475.18240	5.6
501.16028	0.7
519.17218	6.2
537.18262	15.4
538.18750	1.0
553.26764	0.7
555.42926	0.5
669.33502	0.9
713.22461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.9
71.01397	6.3
73.02970	1.8
75.00864	3.0
81.03444	1.5
85.02959	5.4
87.00830	0.8
89.02419	1.3
99.00887	1.8
99.04526	1.3
101.02426	1.7
101.76342	0.7
113.02467	1.4
119.05037	47.8
120.05424	1.3
133.01398	0.8
135.04547	1.7
143.03517	1.3
161.02505	1.6
161.04523	2.7
163.04022	100.0
164.04382	2.3
179.05629	15.8
191.01984	1.2
239.09081	0.9
249.05571	1.0
255.84779	0.7
282.02829	0.8
325.09314	36.1
326.09543	1.3
380.67831	1.0
387.16617	11.6
410.48071	0.9
427.32266	0.8
612.66907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06494	10.6
59.01382	22.2
61.98812	16.1
69.84237	20.5
71.01376	18.3
73.39787	8.5
83.93787	9.4
89.02448	22.9
90.02261	9.2
90.02837	9.6
98.22636	8.9
98.55968	9.5
100.95825	8.3
101.02406	10.1
130.52321	9.7
139.48204	9.2
142.30594	10.6
149.72206	9.2
235.08292	11.1
238.13846	11.7
269.57321	11.0
275.69617	9.3
279.23303	41.3
397.13638	100.0
398.13690	10.1
415.14590	17.2
467.75885	9.9
476.15576	11.1
681.25476	14.7
713.35211	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	713.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.7
61.98827	24.0
71.01393	12.1
72.93803	5.1
73.06519	5.4
78.55591	4.9
88.98804	11.6
89.02455	10.5
98.22634	14.1
117.31857	5.4
125.02442	8.6
228.79404	6.2
235.08298	9.0
253.09439	6.5
279.23398	49.6
397.13574	100.0
415.14771	34.7
577.26550	6.8
604.32953	6.4
677.37354	12.4
713.35461	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20936	0.2
83.05032	0.5
126.05599	0.4
129.01901	0.3
135.04477	0.3
156.65318	0.3
179.03510	0.5
204.03369	0.4
214.70491	0.3
225.16167	0.3
239.33797	0.3
345.55923	0.3
677.49823	2.8
713.47430	100.0
714.47736	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	714.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35316	0.2
51.42356	0.3
57.03467	0.4
59.01380	1.2
59.45577	0.3
61.48458	0.2
61.98833	100.0
71.01392	1.0
71.59371	0.2
81.55576	0.3
85.02962	2.1
101.02450	0.3
110.72361	0.2
113.02470	0.9
129.01942	0.4
132.02216	0.9
133.02982	0.9
134.03731	1.3
135.04543	1.4
142.76981	0.2
150.03255	0.5
150.06941	0.3
160.01657	2.6
161.02448	1.9
165.05605	0.3
167.03508	0.3
175.04027	2.9
179.03548	1.0
180.03745	0.3
193.05087	1.0
194.05458	0.3
195.06738	0.4
261.93457	0.2
384.11404	0.4
451.85110	0.2
637.21143	0.6
651.23157	0.7
679.22180	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	715.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03453	13.6
59.01371	4.4
60.83194	0.8
65.00294	1.6
67.01875	1.1
68.99809	1.1
69.03460	0.8
71.01389	4.2
71.04670	1.1
71.78244	0.8
72.07049	0.8
81.03495	0.8
83.01392	19.7
84.02180	1.0
85.02959	100.0
86.03255	2.1
86.59812	0.9
87.00869	2.7
89.00369	1.1
89.02444	1.1
90.58298	0.9
91.01907	5.8
95.01396	2.3
96.96012	1.3
97.03008	1.0
101.02448	1.8
106.00604	2.0
108.02175	17.8
109.02944	1.9
111.00892	35.9
112.01227	1.0
113.02438	2.7
117.03454	1.4
121.02972	16.0
123.00903	7.2
123.04530	19.6
124.01672	1.6
125.02441	2.4
126.41623	1.0
127.00323	1.2
129.01955	45.5
130.02243	0.9
132.02194	9.2
133.03006	4.0
134.03755	29.0
135.04613	5.5
136.98819	0.9
137.02446	4.4
138.03242	4.8
139.00443	1.1
139.04031	1.0
145.02945	1.3
147.02991	3.6
147.04529	1.2
148.05244	1.1
149.06055	6.4
150.52966	0.8
151.99974	1.3
152.01169	23.4
153.05597	11.2
153.28009	0.8
154.99872	2.1
160.01672	44.2
161.02463	14.1
161.04558	1.0
162.03210	4.3
163.04082	1.2
166.02690	2.4
166.99902	5.7
167.03511	58.8
168.03862	2.1
173.00937	9.4
173.06026	2.2
174.03186	2.0
175.04018	53.4
176.04546	2.6
177.05634	1.5
178.02689	3.3
179.03571	4.6
182.02242	11.9
189.05579	2.9
190.06409	1.6
190.58147	0.8
191.01932	0.9
191.07188	1.5
192.04266	2.2
193.05081	17.2
196.03990	0.8
197.04559	42.2
198.04909	1.5
200.04730	2.6
202.02744	1.1
202.06384	3.5
204.65048	0.9
207.06667	4.7
212.74577	0.8
215.07169	2.3
217.05031	2.3
217.08679	3.6
218.05873	8.9
228.04324	1.9
233.08208	21.9
235.06133	17.5
237.07556	1.0
243.06604	5.4
261.07700	30.3
262.08063	2.1
265.07138	5.2
279.04871	1.9
287.05530	2.8
297.06140	7.4
305.06665	4.1
313.58524	1.0
323.04037	2.3
327.07278	3.1
341.05133	2.4
349.05560	2.9
371.06232	2.8
389.06946	0.9
461.16147	1.5
503.17126	1.1
507.92780	1.0
579.91669	0.9
637.21240	6.0
679.22162	8.6
680.23260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61401	1.4
54.63072	1.3
55.01876	3.8
57.03450	15.4
59.01390	11.0
65.00319	1.6
67.01884	1.6
68.99837	2.0
69.45361	1.1
71.01387	8.8
78.47366	1.2
81.03471	2.0
83.01389	16.6
85.02958	100.0
87.00898	2.5
89.02452	5.4
91.01917	5.1
94.65100	1.1
95.01420	3.3
96.96014	1.2
97.02967	2.3
101.02469	2.3
107.05091	1.4
108.02181	14.8
109.02986	1.8
111.00897	31.0
111.90446	1.4
113.02466	13.6
117.03459	3.6
121.02974	15.0
123.00897	6.7
123.04530	20.3
124.01759	1.6
125.02439	2.7
126.05543	2.0
129.01955	49.1
130.02286	1.7
132.02177	14.7
133.03003	8.2
134.03761	42.0
135.04553	18.0
136.01654	1.7
137.02493	4.7
138.03261	3.8
145.02971	1.3
147.03038	3.9
149.06053	7.9
152.01166	21.6
153.05603	17.0
154.99857	1.6
160.01674	75.2
161.02472	25.8
161.04541	1.3
162.03198	5.1
166.99864	4.5
167.03511	55.1
168.03867	1.3
173.00920	9.3
173.06079	2.2
174.03275	2.0
174.06880	1.2
175.04019	84.1
176.04559	3.6
177.05638	1.7
178.02733	3.1
179.03502	7.6
182.02235	11.3
189.05566	2.9
191.01938	1.7
191.07162	2.5
192.04431	2.7
193.05064	26.7
197.04573	39.1
200.04861	1.6
202.06575	2.6
207.06700	4.9
217.05104	2.1
217.08739	4.0
218.05869	9.0
219.06674	1.3
228.04410	2.1
233.08174	18.9
235.06134	20.7
243.06583	5.8
261.07709	26.1
265.07266	6.6
272.46973	1.2
279.05258	2.3
297.06161	4.3
305.06665	4.6
315.10818	1.8
327.07318	1.8
341.05353	1.4
349.05719	1.5
371.06180	2.5
461.16977	5.7
473.32507	1.4
503.17838	5.1
619.20258	1.8
637.21588	24.7
638.22089	2.3
679.22473	37.7
680.23022	3.6
714.47760	2.1
715.23706	1.6
715.47565	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	715.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.0
55.64862	0.4
57.03453	13.4
59.01384	10.6
71.01388	7.3
72.99299	1.1
73.02950	2.2
75.00884	3.5
83.01392	4.3
84.02184	0.8
85.02959	100.0
86.03304	1.0
87.00883	2.0
88.53408	0.5
89.02457	3.5
91.30832	0.5
98.21909	1.7
99.00875	0.7
101.02444	4.0
103.00446	0.8
111.00893	6.4
113.02448	2.6
115.00397	0.5
119.03489	0.9
123.04546	0.5
129.01955	15.6
134.03748	5.9
137.00531	0.4
143.03548	0.6
147.03003	5.1
151.04042	0.6
152.01172	0.7
161.02507	1.0
162.03265	1.4
167.03575	1.3
173.00940	8.4
175.03993	0.9
177.05559	1.1
191.01997	23.1
193.05063	4.4
197.04599	1.3
244.26144	0.4
265.07269	0.7
309.06549	0.6
323.07803	1.1
329.16104	4.8
347.17148	14.4
348.17517	0.8
367.06732	3.3
415.19800	1.9
459.18930	1.9
477.19705	8.5
478.20279	0.6
480.28830	0.5
503.17831	1.0
521.18805	6.6
522.19531	0.6
539.19861	18.8
540.19781	0.9
715.24811	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	715.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28918	0.5
55.01873	2.8
57.03451	13.2
59.01386	6.4
59.79046	0.5
67.01884	0.7
69.53628	1.8
71.01388	9.0
72.99316	0.9
73.02946	2.9
75.00879	4.0
83.01390	5.8
84.02150	1.2
85.02957	100.0
86.03305	1.1
87.00880	1.1
89.02446	0.9
91.90025	0.5
96.07291	0.5
97.02979	0.4
98.29859	0.5
99.00879	1.0
101.02443	5.3
105.47013	0.5
111.00893	8.8
113.02445	2.6
115.00368	0.6
117.03503	1.1
129.01947	18.0
134.03757	10.7
145.01450	0.7
147.03032	3.8
149.06075	1.2
158.56334	0.5
160.01694	1.8
167.03546	0.6
173.00923	9.0
175.04044	2.8
178.02652	0.6
191.01996	5.8
193.05077	11.9
197.04405	0.5
201.48431	0.5
218.05789	0.5
261.07736	1.2
323.07785	3.4
329.16031	6.6
347.17136	19.7
348.17435	0.6
349.05411	0.6
367.06714	5.2
373.08591	0.5
415.19882	1.6
419.54575	0.5
459.18658	2.4
477.19778	7.9
503.17667	1.2
521.18939	7.4
535.44183	0.5
539.19904	9.2
651.02551	0.6
714.47766	2.3
715.24817	1.9
715.47369	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	715.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81211	0.7
55.01890	4.0
57.03456	14.5
59.01385	8.7
68.04236	0.6
71.01379	8.5
71.42125	0.9
72.99316	0.8
73.02954	3.8
75.00887	2.7
83.01390	6.0
84.02161	0.9
85.02958	100.0
86.00108	0.9
86.03300	2.3
87.00890	1.6
95.01421	0.8
99.00872	1.2
101.02469	8.2
111.00892	13.7
113.02464	2.8
115.00449	1.0
115.98063	0.8
117.03482	1.2
123.46918	0.7
129.01955	54.0
134.03743	10.8
135.04539	1.2
145.01477	0.8
147.03001	4.9
149.06090	2.4
160.01707	5.3
161.02440	1.7
162.03189	1.1
162.56561	0.8
173.00929	19.1
175.04042	5.4
178.02666	2.1
185.11865	2.1
191.01959	6.4
193.05061	9.2
218.05884	0.8
253.14613	1.0
261.07703	3.4
285.44089	0.7
323.07767	5.0
329.16165	2.6
347.12921	1.7
347.17126	27.2
348.17413	1.7
349.05701	0.9
354.49396	0.8
367.06708	3.5
439.66025	1.0
450.05188	0.8
474.47021	0.8
477.19669	5.4
521.18835	14.1
522.18793	1.1
539.19879	13.3
540.20203	1.2
553.17975	2.0
715.24744	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	715.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07811	0.4
51.19644	0.4
55.01884	3.4
57.03175	0.8
57.03452	14.7
59.01385	7.0
63.89478	0.4
67.01873	0.9
68.99807	0.5
69.03436	0.5
69.56519	0.4
70.48750	0.4
70.49059	0.7
71.01387	9.2
72.99332	1.2
73.02962	2.8
75.00877	4.8
75.16106	0.5
78.66331	0.4
81.98515	0.4
83.01394	5.1
84.02186	1.2
85.02956	100.0
86.00094	0.5
86.03289	1.3
87.00883	2.2
89.02448	0.8
89.03918	0.4
95.01402	0.5
99.00913	1.0
101.02451	5.8
111.00896	10.1
113.02456	2.3
115.00386	0.5
117.03477	1.8
125.02467	0.7
129.01953	18.6
130.02356	0.5
134.03751	14.7
137.02536	0.5
143.03534	0.8
145.01468	0.7
147.02988	3.5
149.06094	1.3
160.01660	1.7
173.00923	12.0
175.04030	3.0
178.02608	0.5
185.11801	0.4
191.01987	3.9
193.03319	0.7
193.05063	13.4
209.57797	0.4
235.08290	0.4
261.07736	0.9
323.07669	3.2
329.16129	5.5
347.17126	17.3
347.21323	1.0
348.17627	0.6
367.06720	10.0
375.32114	0.6
389.17941	0.5
414.29996	0.5
415.19733	1.5
459.19034	2.8
477.19812	8.2
503.17914	2.8
521.18835	6.6
539.19995	6.8
715.24811	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	715.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.3
57.03453	14.2
59.01384	8.4
64.44674	0.3
66.41685	0.3
67.01877	0.4
68.99825	0.5
69.45672	1.3
71.01387	8.0
71.80331	0.3
72.39780	0.3
72.99319	1.1
73.02946	2.1
75.00880	3.1
80.32372	0.3
81.06329	0.3
83.01398	4.5
84.02187	1.2
85.02957	100.0
86.00067	0.3
86.03307	1.7
87.00889	1.5
89.02467	1.1
95.01386	0.7
98.21883	0.5
99.00882	1.2
101.02452	3.8
103.00368	0.7
104.55110	0.3
107.91872	0.3
108.02191	0.8
109.02956	0.4
111.00885	5.8
113.02457	1.6
115.00399	0.7
117.03493	0.8
119.05037	0.6
121.02969	0.4
123.00838	0.5
129.01956	14.9
134.03752	4.8
143.03557	0.5
145.01416	0.4
145.02972	0.8
146.13809	0.3
147.03015	4.7
149.06088	0.5
152.01184	1.3
153.05556	0.6
160.01700	0.9
166.99854	0.3
173.00925	6.8
175.04036	1.4
182.02217	0.7
185.11888	0.6
191.01993	19.8
192.02429	0.4
193.05049	4.2
197.04579	2.5
248.25198	0.3
323.07730	1.1
327.07376	0.3
329.16055	3.8
347.17148	14.2
348.17575	0.4
352.45175	0.3
367.06754	2.1
369.19244	0.4
406.25412	0.4
415.19812	1.3
438.63983	0.3
459.18597	2.1
477.19757	6.6
478.20020	0.5
503.17801	0.7
521.18829	5.4
522.18921	0.6
539.19879	16.1
540.20404	1.0
599.20081	1.4
657.95026	0.4
714.48480	0.7
715.24994	1.1
715.47473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37756	2.7
51.98516	3.4
56.97268	2.8
57.03448	2.8
59.01385	100.0
71.01388	33.6
71.40326	3.1
73.02952	15.9
83.01381	9.3
85.02962	20.8
89.02448	5.2
95.01366	3.4
97.02914	4.8
99.00862	4.6
101.02457	23.7
104.60735	2.8
113.02480	15.4
125.02480	4.0
143.03557	4.2
161.04547	9.6
203.05638	3.2
242.20493	3.1
311.65717	2.8
381.22913	6.4
525.26837	15.1
543.28046	15.1
567.28064	5.5
585.29285	43.5
586.29742	4.1
627.30170	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	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63576	0.3
57.46472	0.3
59.01374	0.3
59.16743	0.3
61.98834	100.0
63.16413	0.3
71.41903	0.3
80.77344	0.3
83.78257	0.3
89.35002	0.3
103.08354	0.3
106.28857	0.3
113.15196	0.3
128.57965	0.3
190.69377	0.3
193.37627	0.3
214.01514	0.3
271.03690	0.3
322.80606	0.3
424.26059	0.3
527.16272	0.3
614.19995	3.0
615.20978	1.2
616.21356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98836	100.0
69.17976	0.7
71.01426	0.1
98.21777	0.1
246.57578	0.1
255.23401	0.2
391.40036	0.1
400.14493	0.1
612.55835	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43748	0.8
56.23036	0.9
60.99306	3.7
61.98816	1.1
88.98811	15.3
89.02460	1.4
101.07165	0.9
103.29460	0.8
104.93789	0.8
116.92844	1.2
306.37888	0.9
349.40271	0.9
451.14301	1.1
452.14740	1.8
480.14096	1.8
481.15143	5.3
489.52289	1.0
495.16693	9.3
496.16864	1.3
508.17670	1.2
536.16736	1.5
540.16339	2.6
551.11194	1.7
551.19415	25.6
551.27747	1.4
552.19440	5.0
554.18402	1.5
555.18872	1.5
572.15424	1.1
586.17371	2.5
595.18390	3.6
627.21063	100.0
628.11774	1.4
628.21436	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	717.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86148	2.5
59.01384	100.0
61.98830	4.2
63.51288	2.7
70.17025	8.2
72.04725	2.7
98.17073	2.8
109.76076	3.0
128.15340	3.0
135.45911	2.8
144.77513	2.6
167.57590	3.2
187.26993	2.7
402.44507	2.7
450.68652	3.0
453.12015	3.3
496.14011	17.2
497.14221	4.8
510.15494	4.8
511.16479	10.1
512.16913	4.1
544.16296	4.2
567.18640	13.0
570.17065	3.4
571.18451	8.6
597.19885	6.1
598.19562	3.9
599.21619	38.5
625.19360	3.7
657.22461	20.6
717.24176	87.7
718.24591	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	717.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84026	1.6
59.01384	100.0
61.98835	85.8
69.63860	4.9
70.79552	1.6
75.86817	1.7
100.85094	1.9
104.28783	1.6
156.14812	2.0
168.50052	1.7
177.09552	1.9
178.80209	1.7
199.33000	1.8
206.96921	1.7
324.66843	1.8
457.18909	3.5
459.16766	3.6
466.12354	2.4
496.13748	17.5
497.14536	9.1
498.15396	2.6
510.15250	5.4
511.16156	7.7
512.17108	4.2
513.17584	7.7
539.19373	4.0
544.15936	4.5
567.18866	14.3
571.18408	9.7
597.19910	3.6
598.20667	3.8
599.21509	34.4
600.21600	4.9
602.16473	2.6
657.21960	16.0
658.22614	2.9
717.24213	75.7
718.24609	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	717.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67128	0.6
55.01871	2.0
57.03454	11.0
59.01087	0.8
59.01380	11.1
62.08059	0.6
71.01385	12.7
72.01703	0.6
72.99319	0.9
73.02959	2.0
75.00883	2.9
83.01396	4.8
84.02171	1.4
85.02956	100.0
86.03284	0.9
86.42581	0.6
86.66964	0.5
87.00875	1.1
89.02447	4.5
90.02792	0.6
96.96027	8.3
99.00893	1.1
101.02451	3.5
111.00883	8.7
112.32060	0.5
113.02436	2.3
115.00347	0.6
117.03427	1.0
119.03516	1.1
121.02947	0.7
124.53140	0.5
124.61954	0.5
129.01956	19.1
133.02986	0.8
134.03761	9.8
135.04483	0.9
136.01662	1.2
141.38530	0.5
147.03023	3.6
149.06113	0.9
160.01637	1.6
161.02463	2.0
162.03175	1.2
173.00925	9.5
175.04005	2.5
177.05490	1.3
179.03499	0.7
179.05713	0.6
187.13405	10.0
191.01982	7.4
193.05074	10.4
227.92001	0.6
236.69751	0.5
245.80263	0.5
261.07733	0.9
323.04340	0.5
323.07681	3.6
331.17587	7.8
349.18701	27.0
350.18524	0.7
367.06711	5.9
417.21243	1.9
461.20364	2.3
479.21371	7.3
505.19571	1.2
523.20447	8.5
541.21490	8.7
717.26776	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	717.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03453	11.7
59.01384	10.2
64.77660	0.5
65.50799	0.5
71.01385	11.0
72.99315	1.2
73.02959	1.9
75.00885	3.7
83.01392	4.7
84.02171	1.2
85.02958	100.0
86.03288	0.9
87.00879	1.1
89.02443	2.6
90.02805	0.7
96.42978	0.5
96.96033	4.9
97.02991	0.4
98.21834	1.6
99.00895	0.7
101.02441	4.6
103.00385	0.6
111.00895	8.8
113.01741	0.5
113.02450	2.4
115.00385	1.5
117.03499	1.0
119.03511	0.8
121.02921	0.6
129.01955	20.1
133.02966	0.9
134.03751	9.0
134.04716	0.7
135.04520	1.8
143.03493	0.5
147.03027	4.4
149.06078	1.2
152.01183	0.8
160.01628	1.3
161.02524	2.4
161.44064	0.6
162.03206	0.9
173.00922	12.0
173.02382	0.9
175.04036	2.8
177.05608	1.0
179.03450	1.1
179.05710	0.6
185.32346	0.4
187.13409	11.1
191.01982	8.0
193.05070	9.7
236.09116	0.5
249.34819	0.5
261.07693	0.9
323.07773	4.6
331.17630	6.7
347.17407	0.7
349.18707	27.3
350.18887	1.2
367.06699	7.9
417.21320	2.2
461.20483	2.6
465.20129	0.5
479.21347	9.2
479.27756	0.8
505.19305	1.2
523.20422	9.1
541.21423	10.5
717.25958	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	718.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83644	0.4
57.03455	0.5
57.89970	0.4
59.01389	4.9
69.47639	1.8
71.01389	3.6
74.25840	0.3
83.01417	0.5
85.02971	4.1
89.02454	1.1
95.01395	1.6
101.02433	0.9
105.03458	0.6
113.02460	6.2
117.03459	1.5
119.03506	0.5
123.04579	0.6
132.02203	2.2
133.02972	35.4
134.03845	0.9
135.04518	5.3
161.02458	100.0
162.02780	2.3
174.14705	0.4
179.03493	1.9
195.02142	0.4
230.09352	0.7
246.30037	0.4
265.06857	0.5
293.47363	0.4
556.21375	2.1
589.38800	0.5
718.24677	29.6
719.25092	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03447	0.6
59.01380	4.6
63.43785	0.3
71.01386	4.1
71.05146	0.4
73.02931	0.3
73.86859	0.3
77.03979	0.4
83.00028	0.3
83.01398	0.5
85.02954	4.9
89.02463	1.5
89.03998	0.2
95.01402	1.1
96.96063	0.3
101.02456	0.9
105.03460	0.8
107.39363	0.3
108.38583	0.2
113.02454	6.6
115.01897	0.3
117.03476	1.3
119.03436	0.3
121.02957	0.3
123.04553	0.5
129.01891	0.3
131.03525	0.2
132.02170	2.6
133.02971	37.0
134.03853	0.6
135.04544	6.1
137.71837	0.3
149.07237	0.9
161.02457	100.0
162.02788	2.3
179.03546	2.3
203.08246	0.5
230.09367	0.4
548.99438	0.3
556.21667	2.3
718.24670	31.5
719.25165	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	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.97345	1.1
56.51333	1.1
58.00590	1.0
59.01385	54.7
63.86959	1.1
66.41366	1.1
67.28970	1.1
69.03465	1.9
71.01389	30.8
72.99319	1.6
73.02969	6.1
81.03470	1.9
82.74299	1.1
83.01389	2.8
85.02943	5.7
87.00893	6.3
89.02452	29.2
95.01385	1.6
96.97896	1.0
97.02964	5.2
98.21838	2.7
101.02451	26.9
111.00883	1.4
113.02470	11.8
119.03519	9.7
125.02449	9.3
139.04117	1.2
139.22034	1.2
143.03499	3.4
149.04597	1.4
150.10269	1.3
161.04584	6.4
179.05629	5.9
217.07236	1.2
221.06677	2.9
235.08264	13.2
253.09293	2.9
277.09088	1.4
277.21750	78.7
278.22147	4.1
287.07693	3.9
305.08920	5.1
397.13538	100.0
398.13721	3.9
415.14590	37.6
416.14709	1.8
554.15240	1.1
675.35962	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	718.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24492	1.0
59.01384	47.7
69.03449	1.5
70.89040	1.3
71.01385	28.6
71.88336	1.0
73.02947	4.7
75.00888	0.9
78.10892	0.8
81.03494	1.0
83.01391	3.2
85.02943	6.2
85.78448	0.9
87.00889	5.8
89.02455	28.6
93.26316	0.9
95.01401	1.2
97.02957	4.1
99.00900	2.4
101.02451	23.7
113.02448	12.6
115.04018	1.2
119.03523	8.4
125.02469	10.6
143.03494	4.8
161.04601	4.9
179.05605	6.7
207.03096	0.8
221.06654	2.4
235.08221	10.5
236.17459	0.9
248.77629	0.9
253.09259	2.9
263.07681	1.6
268.96664	0.9
277.21744	80.5
278.22125	2.5
287.07703	3.6
291.23071	0.9
305.08765	4.2
323.09683	2.4
379.12067	1.1
396.39444	1.0
397.13531	100.0
398.13846	5.2
415.14590	34.4
416.14697	1.8
468.16678	0.9
675.36139	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	719.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48792	0.8
55.01887	4.5
57.03456	17.6
59.01385	11.2
60.18643	1.0
65.00332	2.1
67.01876	1.5
67.25870	0.9
68.99847	0.9
70.11279	2.1
71.01388	5.7
72.99323	1.8
73.02946	3.4
74.54457	1.0
78.01099	1.2
79.15680	0.8
83.01393	15.9
85.02956	100.0
85.30074	1.0
86.03313	1.6
87.00877	1.3
89.00336	3.1
89.02470	1.8
91.01910	6.1
91.68717	0.9
95.01402	3.6
96.96011	2.4
101.02452	4.5
106.00612	2.7
108.02187	14.1
109.02966	2.0
111.00893	35.1
113.02460	2.0
117.03455	0.9
121.02969	25.9
123.00900	14.4
123.04534	17.8
124.01687	5.2
125.17801	1.0
127.00390	1.6
129.01955	50.6
133.02956	2.6
136.01672	5.7
136.98869	2.0
137.02469	2.1
138.03235	10.6
139.00400	3.8
141.24496	0.9
147.03009	2.7
152.01207	6.3
153.05589	21.1
154.99838	4.2
161.02402	4.3
161.04546	1.0
163.04021	3.1
164.04817	3.7
166.02742	3.7
166.99883	6.9
167.03511	34.6
173.00911	4.2
174.03139	2.2
179.03343	1.0
182.02231	23.5
189.05536	1.5
190.89688	1.0
191.03543	1.1
192.04279	10.8
196.03804	1.3
197.04562	64.0
198.04860	1.1
203.05582	1.0
207.03325	1.7
207.06638	23.9
208.06950	1.0
220.03830	2.6
221.06551	2.3
222.05351	3.1
235.06129	33.4
236.06458	1.2
237.07742	5.4
261.04022	1.0
263.07803	1.9
265.07159	29.2
279.05106	11.2
297.06299	1.5
309.06128	2.9
312.77255	1.0
323.04153	3.6
324.46829	1.0
327.07211	4.6
341.05124	2.0
353.05185	2.8
371.06207	3.5
463.91745	1.1
477.09201	1.3
589.25116	1.1
607.20203	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	719.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03091	0.7
55.01883	5.4
57.03453	14.1
59.01382	1.3
65.00330	0.9
67.01897	1.6
67.04356	0.7
68.99809	0.9
69.81111	1.9
71.01399	1.2
72.60378	0.7
72.99316	2.1
78.01144	1.0
83.01394	17.0
84.02183	1.3
85.02957	100.0
86.03307	1.2
89.00330	2.5
91.01872	3.7
95.01394	2.4
96.96032	1.2
99.00912	0.8
101.02446	0.9
106.00567	1.6
108.02181	13.7
109.03004	1.2
111.00893	42.5
112.01259	0.9
117.81902	0.8
121.02962	27.2
122.03780	1.0
123.00904	15.0
123.04533	18.5
124.01712	4.5
127.00362	1.3
129.01956	63.9
130.02287	1.8
136.01680	5.8
136.98816	1.9
137.02448	2.1
138.03249	9.2
138.99419	0.7
139.00362	3.6
139.04019	1.0
147.03017	3.3
147.04506	0.9
148.05400	1.0
151.00360	0.8
151.04074	0.8
152.01160	4.9
153.05588	19.1
154.99835	3.7
161.02527	0.9
163.04025	2.2
164.04808	3.2
166.02756	4.2
166.99879	9.2
167.03506	38.4
168.03897	1.6
173.00943	5.6
174.03207	2.3
176.04987	1.0
179.03453	1.1
181.01363	1.0
181.05110	0.8
182.02213	23.6
182.03737	1.4
183.02515	1.4
189.01929	0.8
189.05608	1.5
190.02783	1.1
191.02040	1.0
191.03633	1.2
192.04297	11.6
193.04480	0.7
196.03804	2.6
197.04564	77.7
198.04924	2.7
207.03030	1.7
207.06630	30.7
208.06915	0.8
217.01389	0.7
219.06718	1.0
220.03812	2.6
222.05328	3.4
233.04640	1.0
235.06131	43.9
236.06473	1.4
237.07677	5.4
250.04816	1.0
251.05492	0.9
261.04144	1.6
265.07178	28.1
266.07590	1.6
279.05133	14.0
297.06226	1.7
309.06262	3.5
317.50458	0.7
323.04071	4.7
327.07135	4.7
341.05270	1.6
353.05225	2.5
371.06174	4.1
389.07132	1.5
479.96014	0.8
569.11530	1.1
599.35138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64853	0.4
55.01888	0.6
57.03450	1.6
59.01379	6.1
69.33314	0.7
69.33721	1.9
71.01027	0.6
71.01389	7.5
73.02959	0.7
83.01398	1.1
85.02956	16.3
87.00887	0.5
89.02454	2.4
95.01395	3.5
95.75724	0.4
99.00900	0.5
101.02455	1.6
105.03475	0.9
109.06585	0.6
110.48740	0.4
111.00901	0.5
113.02457	14.6
115.00359	0.4
119.03484	0.7
120.79980	0.4
123.04528	0.5
129.01927	1.4
132.02185	2.9
133.02971	43.8
134.03697	1.7
135.04536	10.3
141.10165	0.4
147.04567	0.6
159.04475	0.7
161.02458	100.0
162.02815	2.8
172.05338	0.5
173.06120	1.8
179.03522	7.2
187.07675	6.9
187.13318	0.5
201.05626	2.0
202.06366	8.3
203.10826	0.7
216.07906	0.6
219.10353	0.8
231.10263	6.3
249.11383	2.1
323.07626	0.8
349.71356	0.4
411.16028	0.6
539.21655	0.7
557.22394	14.1
557.30542	1.0
558.23267	1.0
640.33698	0.5
694.39911	0.5
701.24194	1.2
719.25623	49.6
720.25873	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	719.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	64.1
59.41334	2.6
61.98831	2.7
62.98552	2.5
71.01387	26.2
71.38659	2.2
73.02957	14.4
83.01393	7.2
85.02949	14.5
86.03369	2.7
87.00845	5.8
89.02452	15.3
95.01376	4.1
99.00889	4.8
101.02444	21.1
106.78606	2.4
113.02453	21.6
115.00433	2.9
119.03488	6.8
130.34842	2.7
131.03448	3.4
133.03001	19.4
134.03786	4.9
135.04584	21.5
161.02473	41.5
161.04590	10.2
179.03519	40.6
179.05305	4.7
203.03596	2.9
211.07091	3.1
221.06609	6.4
230.07159	2.8
409.54047	2.7
487.14780	7.4
513.79724	2.8
525.19104	2.8
622.19122	5.3
657.31573	3.3
675.32367	100.0
676.32520	4.6
719.25726	8.0
746.93237	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	720.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06322	0.3
59.01387	2.8
60.01726	0.3
61.98835	100.0
66.05946	0.2
70.79069	0.3
86.90942	0.3
126.23474	0.3
128.21848	0.3
163.89879	0.3
169.47530	0.3
312.77274	0.3
499.14340	0.5
573.18475	0.3
602.22266	0.8
651.74512	0.4
660.22540	0.4
720.23816	3.5
721.24524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37566	2.5
57.93553	2.5
59.01385	36.4
61.98834	4.3
71.01380	25.8
73.02962	5.1
79.22565	2.7
87.00916	7.6
89.02457	22.8
92.76649	3.0
98.21852	5.1
98.22546	12.6
101.02465	22.6
113.02464	9.1
119.03471	4.7
122.40157	2.6
125.02470	9.8
146.82660	3.1
161.04579	5.3
179.05658	9.5
189.54134	3.3
208.40096	3.1
235.08231	9.8
279.23322	78.9
280.23593	3.8
305.08997	6.3
397.13504	100.0
398.13971	6.1
404.31558	3.6
415.14594	33.5
573.62891	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	720.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40700	3.9
59.01389	38.0
61.98828	3.8
69.73584	4.3
71.01386	27.7
73.02975	3.5
73.82694	3.6
78.93510	3.9
78.95920	9.6
87.00871	7.0
89.02459	24.8
97.02966	4.0
100.55370	3.2
101.02456	24.3
101.80053	3.5
113.02464	12.0
119.03510	7.7
125.02452	8.0
143.03506	5.5
152.99608	6.2
161.04550	4.9
179.05591	6.4
203.47972	4.1
222.72469	4.0
235.08281	13.8
266.86969	4.3
279.23370	71.7
287.07709	4.4
397.13541	100.0
415.14624	30.3
438.07565	3.8
593.26605	5.8
594.27643	4.9
673.05743	4.4
752.79871	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	720.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11581	0.3
80.13366	0.3
81.03460	3.4
83.05033	7.3
98.22631	0.7
125.07227	0.4
126.05660	0.4
154.06776	0.3
203.89595	0.3
207.15024	0.6
224.17691	1.1
225.13947	0.5
225.16098	6.9
242.29243	0.3
243.64087	0.3
266.14935	0.3
309.21863	0.3
324.26642	0.6
333.22659	0.3
362.59311	0.3
367.27087	1.0
379.34161	0.3
433.31821	0.7
450.34439	0.7
451.32886	5.0
550.43542	0.5
565.44666	0.4
659.48560	1.0
677.49738	100.0
678.50037	13.4
693.17188	0.3
720.50739	0.9
735.89160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44400	0.1
59.01386	1.1
64.96335	0.1
65.06768	0.1
68.02700	0.1
68.97214	0.1
69.13244	0.7
69.13646	0.2
71.01385	0.7
73.02952	0.3
79.95747	3.8
83.01382	0.2
85.02964	1.0
89.02451	0.2
89.98914	0.2
94.98112	0.2
96.96021	100.0
97.96017	0.2
98.95611	0.2
101.02463	0.3
106.70220	0.1
111.00886	0.2
113.02467	0.7
121.02945	0.3
123.04534	0.2
129.01982	0.2
133.02979	1.4
135.04533	0.9
135.42189	0.1
138.03253	0.1
161.02460	3.7
161.04477	0.2
165.43996	0.1
179.00366	0.2
179.03552	0.4
191.00360	0.2
197.04660	0.3
198.04866	0.2
207.06786	0.1
209.01411	0.5
251.02373	0.6
251.32158	0.1
305.03406	0.2
353.05728	0.8
422.10101	0.1
498.79410	0.2
499.11679	0.3
531.24475	0.3
591.26996	0.5
623.19922	2.4
624.19952	0.2
627.09631	0.2
633.28253	0.2
639.27655	0.1
661.14630	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	721.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98002	0.5
59.01385	3.8
69.03467	1.4
70.47186	1.2
71.01389	24.0
72.99313	4.3
73.02956	1.6
85.02953	2.3
87.00910	0.8
89.02460	2.9
96.96010	0.6
101.02473	2.2
108.02239	0.7
109.02969	0.5
113.02478	1.1
115.00385	54.7
116.00701	0.8
120.32982	0.5
121.02969	1.6
122.03748	1.5
133.01447	100.0
134.01768	1.1
134.03801	1.3
135.04549	1.2
136.01672	33.0
137.02507	0.6
147.75394	0.5
151.04024	49.8
151.09706	0.5
152.04326	0.9
157.01523	0.7
160.05280	0.6
161.02484	1.5
161.04631	0.7
163.03972	1.1
175.07660	1.0
179.03525	1.0
183.21069	0.5
277.05579	0.6
309.11392	0.6
339.12384	1.2
342.11157	3.5
357.13470	73.9
358.13828	5.8
501.17328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.3
61.98813	2.0
69.31210	2.9
69.31599	5.9
71.01385	11.2
71.41479	1.8
73.02948	2.3
85.02985	6.7
85.70963	1.8
89.02473	5.6
95.01399	2.5
99.66932	1.9
101.02456	6.5
113.02467	14.6
117.03459	3.0
119.03546	2.5
123.04542	6.2
132.02179	32.5
133.02977	35.9
134.03758	43.1
135.04543	23.8
149.06111	5.0
153.05602	8.2
160.01680	100.0
161.02458	87.6
175.04010	97.9
178.02742	4.0
179.03671	2.3
189.95947	1.8
193.05052	30.1
272.15381	2.1
281.96457	2.1
297.09866	5.2
315.10870	2.8
461.16370	5.2
491.15543	19.8
503.17722	5.8
601.18848	2.1
620.36255	2.1
637.12494	2.1
637.21039	12.9
677.34192	3.5
679.22583	36.0
721.23322	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	721.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
71.01392	3.0
73.02938	0.6
83.35509	0.4
85.02964	2.4
89.02459	1.3
98.21873	1.1
101.02461	1.5
105.03502	1.0
109.02958	0.5
113.02437	2.4
117.03468	1.3
123.04494	0.6
132.02197	3.4
132.73096	0.5
133.02974	44.0
134.03787	2.5
135.04552	7.6
137.02448	0.5
144.95541	0.5
160.01683	0.6
161.02458	100.0
162.02791	2.0
175.03920	0.5
179.03514	4.3
188.25731	0.4
198.20264	0.6
308.04926	0.5
491.15488	1.8
635.33423	0.6
677.34064	1.4
679.22351	2.9
721.23523	33.7
721.72278	0.6
722.23901	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	721.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12954	0.7
55.01871	2.0
57.03444	1.8
59.01383	100.0
59.46387	0.7
66.54065	0.8
69.03454	4.2
69.05533	2.7
69.05934	2.4
70.60640	0.9
71.01386	57.7
72.99299	1.4
73.02954	13.7
81.03456	3.5
83.01395	6.8
85.02956	23.0
86.03296	1.0
87.00880	18.7
89.02452	49.4
95.01408	4.8
96.95997	2.6
97.02969	7.0
99.00891	3.8
99.04484	1.1
101.02446	40.1
109.02975	4.9
111.00887	1.2
112.96485	0.8
113.02465	32.9
119.03514	19.8
121.02917	1.4
123.04460	1.1
124.01641	1.3
125.02447	16.3
126.03334	1.5
127.04007	5.2
131.03516	4.8
134.03763	8.2
137.06087	3.0
139.04034	1.1
143.03528	4.7
149.04541	1.8
149.06068	4.4
152.04747	4.2
161.04555	10.2
167.03404	1.4
167.07138	4.3
167.93973	0.8
179.05635	9.0
203.05553	2.3
217.23938	0.9
221.06587	6.5
247.26003	0.8
275.09402	1.9
314.26102	0.9
324.62897	0.9
329.12512	2.0
473.16760	14.0
473.22995	1.8
491.17761	47.1
492.18082	3.8
517.19238	1.3
533.18695	12.6
583.20435	3.3
601.21344	9.0
619.22412	19.7
620.22699	2.3
637.23553	21.8
637.33423	1.7
661.23621	11.4
662.23706	1.4
679.24591	52.7
680.24762	6.3
721.25507	16.1
722.25873	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	721.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79794	1.4
55.01885	2.3
57.03450	3.1
57.45992	1.3
59.01385	100.0
59.15491	1.3
69.03445	2.0
71.01388	37.7
73.02953	19.8
81.03477	1.3
83.01398	9.9
85.02960	18.8
86.25834	1.3
87.00885	6.0
89.02454	16.9
91.97471	1.3
95.01405	4.1
96.96035	1.8
97.02959	4.2
97.74888	1.2
99.00896	6.1
101.02453	30.2
113.02458	24.0
113.03162	2.0
115.00378	2.6
117.29532	1.3
119.03498	6.3
125.02489	7.7
126.28812	1.2
129.01947	2.0
131.03523	4.1
133.01462	4.3
137.09697	1.7
139.99757	1.1
143.03520	8.6
149.04608	2.7
159.02824	1.3
161.04578	16.1
167.03484	1.8
179.05609	19.6
189.12910	7.4
193.05113	1.6
203.05638	8.6
207.13918	8.1
210.81641	1.2
221.06671	11.2
225.25058	1.3
245.06790	2.5
263.07809	8.0
276.75714	1.5
305.08856	3.5
429.21362	2.7
449.79187	1.3
531.24591	5.2
549.25610	10.8
573.25549	6.8
591.26660	41.9
592.27002	3.5
633.27875	7.5
689.26599	2.8
733.84863	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	721.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.5
69.03461	17.7
69.13856	3.3
69.96309	0.8
71.01389	9.2
79.05557	1.0
81.03448	4.3
83.99901	0.8
85.02960	5.1
87.00883	2.8
87.04504	2.2
89.02450	10.9
93.03485	1.7
95.05030	7.0
97.02975	2.8
101.02425	5.8
106.04256	1.7
107.05027	2.3
108.02180	2.2
113.02454	11.4
119.03522	3.0
119.05023	0.9
121.06599	7.7
123.04535	44.5
124.04850	1.1
125.06105	1.4
131.05035	1.5
134.02823	0.7
134.03757	2.9
137.06076	2.2
141.01909	1.2
145.61005	0.7
149.04897	1.6
149.06091	25.2
167.03430	1.9
167.07147	38.5
168.07555	1.2
191.01961	1.1
193.05022	1.2
197.36499	0.9
211.06126	54.0
212.06487	2.1
222.11369	0.8
225.06575	0.8
253.07578	0.9
272.05038	0.9
347.96603	0.9
373.11398	100.0
374.11792	5.4
438.16928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03440	2.3
59.01382	100.0
69.03449	5.7
71.01385	64.0
73.02950	10.4
81.03451	3.2
83.01375	5.4
85.02953	26.1
87.00880	16.6
89.02450	59.7
95.01401	6.9
97.02960	6.3
99.00861	2.3
101.02448	37.8
109.02953	5.2
113.01726	2.9
113.02455	36.9
119.03500	21.6
125.02455	23.8
127.04037	10.8
131.03494	4.7
134.03795	9.1
137.06033	2.3
143.03461	5.6
149.06049	4.9
152.04759	4.5
161.04509	12.5
167.07124	5.4
179.05608	12.1
221.06668	6.1
222.40704	2.1
246.36673	2.1
269.04739	2.5
269.13867	3.9
305.08679	2.6
376.04831	2.3
384.53021	2.1
473.16644	16.1
491.17746	42.7
492.17981	2.6
496.18375	2.1
517.19598	2.2
533.18542	11.5
583.19806	4.9
601.21680	9.8
619.22522	36.1
637.23444	42.0
661.23663	15.8
679.24615	71.9
680.24500	5.4
721.25708	20.4
722.26855	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	721.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83798	4.6
53.86643	3.9
54.17990	4.4
54.27510	3.9
58.16645	4.8
59.01383	100.0
69.03441	4.4
69.80296	10.0
71.01025	5.8
71.01388	67.0
73.02953	11.2
83.01393	7.8
85.02966	33.4
87.00880	18.5
89.01952	6.2
89.02456	70.6
95.01380	8.9
96.96012	26.7
97.02908	7.9
98.21886	9.2
101.02431	43.5
105.33075	4.0
109.02962	5.5
113.02454	42.0
119.03484	21.8
121.52143	4.7
125.02444	13.9
127.03981	7.3
131.03528	7.3
134.03773	8.3
143.03470	6.5
149.06123	5.1
160.29832	4.3
161.04544	14.7
167.07129	5.8
170.59129	4.7
179.05591	13.4
199.70673	5.1
221.06627	7.0
231.13509	4.6
283.32983	5.0
390.09808	5.8
473.16800	25.8
491.17715	71.9
520.72546	4.3
533.18665	17.2
583.20441	5.9
601.21442	15.0
619.22534	28.8
637.23529	25.4
658.82349	5.3
661.24139	23.5
661.33417	5.4
679.24646	74.5
721.25647	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	721.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03441	2.3
59.01384	100.0
62.87988	1.2
64.42064	1.1
69.03454	4.1
69.57683	3.1
69.58073	2.9
71.01389	68.0
72.01718	1.3
72.99332	2.3
73.02954	11.5
81.03457	3.0
83.01400	4.9
85.02960	24.4
87.00875	19.1
89.02454	52.8
90.14986	1.4
95.01383	7.2
96.96032	9.9
97.02998	6.3
98.21912	1.3
99.00885	3.7
99.04514	2.5
101.02452	40.1
109.02959	4.4
113.02463	35.4
119.03508	20.7
125.02449	20.0
127.04018	7.3
131.03493	6.3
134.03760	6.3
137.06067	1.9
142.76845	1.4
143.03514	5.0
149.04605	1.3
149.06100	5.7
152.04810	4.9
161.04584	9.0
162.70360	1.2
167.07159	5.4
179.05623	10.9
203.05598	1.8
221.06622	6.8
239.29239	1.3
329.12384	1.7
473.16632	13.3
488.02844	1.5
491.17728	42.3
491.24902	2.3
492.18011	2.6
517.19568	1.6
533.18817	12.2
583.20209	3.1
601.20850	6.6
619.22485	27.8
620.23175	3.1
637.23572	28.7
638.24188	3.4
661.23602	15.3
679.24597	65.6
680.24622	6.2
721.25464	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99106	1.2
55.01885	1.6
57.03458	2.6
59.01384	100.0
61.98838	2.2
69.03464	5.1
69.67322	1.1
71.01387	59.5
72.99313	1.8
73.02957	13.7
81.03455	1.8
83.01385	5.1
85.02956	24.3
87.00885	17.8
87.99818	1.3
89.02453	55.7
95.01411	5.9
97.02972	6.8
98.22616	3.3
99.00898	3.6
101.02453	35.6
109.02948	5.3
113.02463	35.0
119.02787	1.7
119.03531	18.2
122.03633	1.2
125.02463	20.7
127.04012	6.7
131.03497	5.4
133.01416	1.4
133.03009	1.9
134.03740	8.5
135.04546	2.4
137.06087	2.5
143.03506	5.5
149.06087	5.0
152.04846	3.4
153.50247	1.5
161.02496	2.8
161.04581	10.6
167.07129	4.1
179.05641	8.8
203.05754	1.6
208.80301	1.2
221.06630	7.4
229.27487	1.7
305.08633	2.0
311.11270	1.5
329.12503	2.9
455.15582	1.7
457.16901	1.6
473.16693	10.3
475.18195	2.2
491.17722	41.0
492.18097	3.5
533.18762	9.3
583.20441	2.9
601.21857	8.3
619.22510	27.3
620.22882	4.8
637.23541	32.9
638.24207	1.8
661.23743	14.0
679.24615	67.3
680.24872	6.9
721.25745	15.3
722.25940	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	721.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83981	1.6
57.03447	3.4
59.01383	100.0
60.01711	1.7
69.24508	5.0
69.24912	3.4
71.01388	37.5
72.99298	2.0
73.02954	10.2
83.01394	6.2
85.02957	24.7
87.00884	3.1
89.02458	15.7
95.01408	6.0
96.96041	2.5
97.02959	2.5
99.00868	3.6
101.02450	22.1
103.75565	1.4
113.02460	29.8
114.02759	2.2
119.03501	4.5
123.04524	1.8
125.02460	7.5
129.01938	2.1
131.03502	5.1
133.02974	18.2
133.99577	1.7
134.03311	5.4
134.97397	1.4
135.04514	10.1
136.04868	1.6
141.97737	1.9
143.03517	6.6
159.03006	1.6
161.02472	41.0
161.04494	9.5
162.02815	14.3
163.02925	7.2
164.03276	1.9
179.03574	6.9
179.05556	7.5
203.05554	2.0
207.13911	2.5
214.66864	1.4
221.06659	3.6
248.08875	1.6
263.07684	3.4
305.08676	1.9
357.81265	1.5
387.20132	2.0
429.21140	2.1
513.23444	10.6
531.24548	26.3
532.24536	4.4
549.25531	8.9
573.25519	12.7
591.26617	35.2
592.27411	3.1
613.21173	3.0
613.71051	1.7
633.27454	7.7
721.25092	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	721.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00991	0.8
52.00064	0.7
57.03433	1.4
58.51980	0.7
58.86661	0.7
59.01382	9.3
61.98838	3.6
69.39328	3.9
71.01381	6.0
71.05027	3.5
73.02935	1.3
81.03434	1.0
83.05026	3.2
84.02146	1.5
84.33641	0.7
85.02940	2.8
87.00884	1.0
89.02445	2.3
96.78259	0.8
97.02949	2.9
97.06586	3.5
99.00278	1.3
99.00888	19.2
101.02454	3.9
109.06633	1.4
110.03696	1.0
111.00857	0.8
113.02441	2.7
115.00372	0.8
119.03518	1.1
125.09719	7.0
133.02960	1.3
134.03769	4.7
135.04408	1.5
135.08147	1.5
136.21741	0.7
155.14479	1.0
160.01718	1.9
161.02405	3.3
161.04573	1.8
163.11288	10.8
171.10246	1.3
175.04100	1.0
179.03441	2.6
179.10707	0.9
181.12337	18.2
181.13916	1.0
191.10785	1.0
193.05153	4.1
194.05196	1.1
199.13399	9.5
202.06424	0.9
207.10269	22.4
209.11838	38.3
225.11333	37.0
227.12822	2.2
243.12384	20.0
253.09262	1.4
266.35193	0.8
461.20157	1.2
473.18069	0.8
479.21405	6.1
561.32263	1.0
589.91705	0.8
671.33185	2.7
677.33972	1.1
689.33929	100.0
690.34351	7.0
721.37866	4.5
722.35712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03452	0.5
59.01387	3.6
61.98839	0.5
71.01395	2.7
73.02931	0.9
76.91825	0.3
77.15733	0.2
83.01379	0.5
85.02953	4.1
87.00843	0.3
89.02459	1.1
94.14906	0.2
96.96027	0.5
97.33047	0.2
99.00910	0.3
101.02463	1.2
111.00904	0.3
113.02461	1.1
117.03448	0.8
129.01906	1.4
132.02138	0.4
133.02988	1.4
134.03728	2.4
135.04575	3.0
136.04892	0.3
145.02948	1.4
147.02902	0.3
149.02486	0.4
149.06078	0.4
151.04115	0.2
160.01698	0.3
161.02460	3.7
161.04530	0.6
162.02777	0.5
164.04764	0.4
173.00958	0.3
175.04050	1.0
179.03519	3.0
188.07156	0.3
191.01938	0.3
193.05084	4.0
194.05370	0.2
199.09767	0.3
205.12331	0.5
221.15442	0.3
223.05949	0.4
271.15228	0.3
301.21820	0.7
319.22794	17.1
320.23013	0.7
336.33041	0.3
337.23874	4.9
392.90918	0.2
397.12918	0.3
402.03107	0.2
489.94171	0.3
499.29175	100.0
500.29520	7.3
514.48767	0.3
541.30225	1.3
621.17841	0.4
659.29004	0.4
672.18500	0.3
721.28436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03382	7.3
70.29554	17.1
78.95903	16.1
99.72070	7.0
101.12280	6.9
110.98536	14.5
112.54013	7.0
236.09193	7.5
277.21719	82.2
293.24893	100.0
320.62772	8.2
349.00656	7.0
359.21814	8.2
425.14279	7.3
512.07422	8.5
618.40387	9.5
721.48608	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	722.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.1
59.01389	6.6
68.99811	0.8
71.01389	2.9
72.94870	0.6
73.02965	1.2
76.62991	0.6
83.72598	0.6
85.02970	2.1
86.78583	0.6
89.02431	1.2
98.21931	2.2
101.02444	1.4
113.02462	6.6
133.02934	2.3
134.03755	1.4
135.04541	2.8
143.03471	1.1
160.01672	2.0
161.02515	4.6
161.04573	2.7
175.04045	2.1
179.03485	1.9
190.89185	0.7
244.68211	0.7
393.27841	0.9
407.29642	0.8
423.29135	5.4
435.28900	4.2
455.31677	7.6
473.32745	100.0
474.33096	10.2
487.34360	1.8
503.17542	1.1
517.31757	30.6
518.32312	3.5
522.99347	0.7
531.32947	0.7
559.32794	32.6
560.33160	3.2
589.34015	3.4
619.34937	4.0
655.63348	0.6
679.22278	1.7
679.36774	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	723.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69164	0.5
51.96999	0.4
57.03435	1.1
59.01385	5.7
61.98818	1.5
63.19558	0.5
67.24479	0.5
69.18320	3.1
71.01386	6.3
73.02939	1.0
78.77634	0.5
83.01398	0.8
85.02958	8.1
87.00889	0.5
89.02442	3.2
95.01399	1.9
96.62527	0.5
98.09994	0.5
98.21883	1.0
101.02436	2.1
105.03484	1.1
109.02950	0.6
109.92569	0.5
113.02457	14.4
117.03505	1.1
123.04519	2.2
132.02182	2.7
133.02969	36.3
134.03539	1.0
135.04539	13.9
141.80392	0.5
148.12630	0.5
149.02397	0.6
153.05614	1.2
161.02458	100.0
162.02734	2.5
163.04123	0.7
179.03465	2.8
256.25253	0.6
315.10834	1.8
319.22772	1.0
320.23242	1.0
325.20285	1.1
338.24268	0.5
461.16690	5.2
499.29260	2.7
500.29532	5.8
501.29657	2.7
553.46533	0.6
623.19836	54.7
624.19861	3.6
637.90118	0.6
691.18744	6.5
723.21155	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.0
71.01384	8.1
73.02952	2.6
83.01389	2.0
85.02958	6.1
87.00900	1.6
89.02464	1.8
97.02944	1.4
101.02470	2.9
111.00883	1.5
113.02455	6.2
118.01698	1.2
119.03542	1.4
130.97725	1.5
131.03531	1.4
131.61324	1.4
132.02202	1.8
133.02975	37.0
134.03790	2.3
135.04524	10.8
143.03481	1.7
160.01636	2.0
161.02461	100.0
162.02788	4.1
175.04002	2.4
179.03496	10.7
186.18547	1.3
191.01912	1.5
193.05086	1.6
221.02829	4.2
229.34447	1.4
235.87778	1.4
268.60110	1.4
473.32651	4.4
474.32919	4.4
597.76031	1.5
679.22498	37.1
680.22662	4.2
681.14673	1.6
722.76404	1.7
723.30743	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27909	0.7
52.69822	0.8
59.01385	15.9
71.01387	10.4
73.02962	2.5
81.03479	1.6
83.01409	1.0
83.05033	1.7
85.02957	3.6
89.02460	2.9
95.01411	1.2
97.02950	1.3
98.21915	2.4
99.30511	0.8
101.02440	2.3
113.02456	11.4
117.03499	1.8
119.03502	0.9
119.31256	0.8
123.04539	9.6
125.02459	2.7
132.02190	21.6
133.02971	3.6
134.03749	18.6
135.04532	19.2
149.06082	1.7
150.39444	0.8
153.05603	10.3
155.03568	1.1
160.01675	89.1
161.02464	14.2
175.04018	100.0
176.04404	3.0
178.02704	1.8
179.03564	2.2
182.02351	0.8
193.05092	16.9
194.48306	0.8
221.02718	2.8
225.16228	0.9
243.46234	0.8
297.09900	1.6
315.10815	2.2
357.12061	1.1
461.16635	2.3
485.16772	2.4
503.17841	36.3
504.18195	2.3
637.21570	2.2
677.49597	8.0
679.22437	68.8
679.49384	6.3
680.23242	7.5
680.50897	1.2
723.50208	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79098	0.2
55.01894	0.2
57.03451	0.6
57.60167	0.2
59.01384	7.2
61.98830	0.4
69.31190	0.2
69.31476	1.1
71.01386	7.1
71.02189	0.2
72.99293	0.2
73.02955	0.7
79.59141	0.2
81.03463	0.2
83.01379	0.5
85.02957	6.5
86.00102	0.3
86.03320	0.3
87.00896	1.3
89.02447	3.0
89.03982	0.3
95.01383	1.9
101.02444	1.4
104.02698	0.3
105.03485	0.9
107.05074	0.5
109.02954	0.3
109.79928	0.2
113.02456	11.2
115.01879	0.3
117.03495	1.5
119.03519	0.4
123.04542	0.3
127.04021	0.3
131.03510	2.4
132.02191	2.8
133.02966	40.1
134.03682	1.8
135.04536	10.6
136.04843	0.3
139.00832	0.2
143.03589	0.3
145.02979	0.5
145.54524	0.2
149.04597	0.3
149.06012	0.2
160.01619	0.2
161.02457	100.0
162.02794	2.8
175.03973	0.3
178.35390	0.2
179.03508	5.6
191.01886	0.3
191.05635	1.0
227.07446	0.3
235.04361	0.5
293.06754	0.3
429.17398	0.3
519.18591	0.5
551.62231	0.2
561.22009	0.5
591.21051	0.7
723.25061	47.4
724.25330	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	723.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01380	5.7
69.58329	1.0
71.01387	2.6
73.02950	1.4
76.44225	0.2
83.01404	0.4
85.02969	1.5
89.02468	0.9
89.03976	0.7
91.05555	0.6
96.96015	0.6
99.00897	1.2
101.02469	1.1
105.03459	0.4
106.04229	0.5
107.05035	2.7
113.02468	1.1
117.03487	1.4
123.08151	1.1
132.02182	1.1
133.02968	16.5
134.03766	9.1
135.04536	100.0
136.04880	1.8
136.44548	0.2
137.09737	0.5
161.02457	42.0
162.02811	0.7
163.11264	1.6
175.04030	0.3
179.03508	59.9
180.03841	0.8
189.12886	1.5
196.92805	0.2
207.13861	2.2
307.43875	0.3
561.26068	0.7
653.39001	0.3
657.07971	0.3
663.26105	0.3
681.27454	1.5
723.28735	49.7
724.29150	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	724.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95998	0.2
57.03482	0.2
59.01387	0.6
59.62801	0.1
61.98837	100.0
67.58822	0.2
70.82877	0.2
71.01389	0.3
72.99334	0.2
74.46835	0.2
85.02970	0.6
87.74815	0.2
89.02470	0.2
113.02422	0.2
115.00443	0.2
133.01512	0.2
133.02997	0.6
135.04588	0.3
161.02466	1.1
162.02821	0.3
200.02570	0.2
213.57021	0.2
441.15262	0.2
499.29486	0.7
518.22998	0.2
624.20496	0.6
724.34625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13937	1.4
57.03450	12.0
59.01382	20.3
71.01385	17.1
72.99316	11.6
75.00880	4.7
83.01401	6.1
84.02138	2.6
85.02957	100.0
89.02456	9.7
90.35395	1.4
99.00929	1.5
101.02460	5.9
103.00381	1.8
108.44257	1.6
113.02421	1.9
113.81870	1.5
115.00382	3.1
119.03531	3.5
119.05042	4.4
123.00561	2.0
133.01398	3.2
141.01721	22.7
147.03023	12.4
150.30609	1.6
151.00200	2.0
154.99617	5.6
163.04030	2.7
169.01198	3.1
173.00996	2.0
179.05667	3.0
185.70172	1.6
191.01981	71.5
209.03156	1.5
213.00208	27.4
231.01242	48.3
308.29819	1.8
333.05972	3.3
340.18192	1.5
359.03879	2.1
377.04922	59.7
377.14514	27.6
378.05173	2.5
378.14670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81697	6.4
59.01386	54.1
60.32459	6.1
64.92324	6.3
71.01394	54.5
73.02955	8.3
77.19344	6.1
87.00867	19.4
89.02459	47.2
97.38435	6.2
98.21761	11.6
101.02441	37.5
102.37695	8.1
113.02475	21.0
119.03558	11.0
125.02487	8.9
143.03574	7.1
161.04507	6.6
162.40161	7.0
171.49913	6.5
179.05647	23.5
221.06674	11.6
228.71475	6.0
236.21465	6.5
272.99356	8.2
341.10736	24.8
383.12033	58.3
443.14294	17.3
485.15405	12.3
665.21570	100.0
666.21613	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	725.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	68.4
66.74364	7.3
71.01389	48.2
77.16132	7.1
85.02966	10.0
87.00876	20.9
89.02444	60.5
98.22221	9.5
101.02445	46.9
108.41698	6.9
113.02459	18.2
115.61546	7.5
119.03521	9.9
119.09301	6.5
143.03506	11.2
145.06265	11.9
161.04552	8.4
179.05531	40.2
221.06631	13.5
263.69666	7.0
341.10907	19.6
371.19833	9.2
383.11890	45.8
407.81265	7.4
443.14386	11.8
485.14752	10.4
523.41553	8.2
541.54590	7.3
593.78107	7.8
665.21466	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	725.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86352	16.8
53.60226	17.3
59.01379	82.6
61.98842	26.9
69.86722	16.2
71.01345	28.7
73.02930	19.8
77.59042	15.4
106.57516	18.7
115.51517	16.2
201.98259	22.9
209.11833	96.3
211.13422	100.0
224.35760	26.4
347.30615	19.1
427.71524	19.3
502.27069	28.6
725.34412	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39840	1.4
57.03446	2.9
59.01377	10.1
61.98831	1.5
70.03271	4.4
71.01379	3.4
82.71327	1.4
89.02451	2.5
98.22540	1.7
101.02428	4.4
103.02251	1.7
113.02464	2.2
119.72377	1.6
125.09744	3.3
139.11365	2.2
141.12868	1.6
167.10767	4.9
171.10263	2.7
185.11842	100.0
186.12178	4.5
209.11784	2.6
229.10777	2.2
253.09291	4.1
274.70050	1.5
277.21759	31.6
278.22052	2.8
279.23401	2.4
341.10370	2.0
443.48764	1.6
465.19675	2.9
595.41943	1.9
725.41217	78.7
726.41718	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	726.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84677	0.2
52.35296	0.2
54.84503	0.2
59.01384	0.6
61.98834	100.0
64.55388	0.2
75.65143	0.2
76.25394	0.2
88.04550	0.2
101.02444	0.2
113.02446	0.4
158.23418	0.2
161.02414	0.4
161.04579	0.2
183.08176	0.3
187.27921	0.2
202.33591	0.2
370.85001	0.2
637.65546	0.2
729.77631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97427	1.3
56.19678	1.5
57.03449	14.5
59.01374	7.7
60.33408	1.5
69.61823	6.1
71.01368	4.2
73.02954	2.4
75.00872	3.0
83.01373	3.2
84.02158	2.0
85.02956	100.0
85.24863	1.7
87.69750	1.7
101.02435	1.8
111.00874	5.9
119.05090	1.5
123.04566	2.0
129.01953	11.8
134.03758	4.2
147.03012	15.2
153.05597	5.4
161.02460	2.4
163.03958	2.8
173.00877	4.4
182.02112	1.5
183.22983	1.4
191.01994	56.2
193.05048	3.7
209.03065	26.2
227.03105	1.6
243.96773	1.6
341.08643	2.2
385.07776	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	727.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17365	1.5
55.01872	3.1
57.03446	14.9
57.58397	1.6
59.01377	5.9
62.80227	1.4
66.44907	1.4
67.63806	1.3
69.46532	7.3
71.01388	3.8
83.01379	2.7
85.02957	100.0
86.62674	1.5
111.00883	2.9
127.99130	1.4
129.01918	7.4
134.03769	2.3
147.03004	12.2
173.00977	3.1
191.01997	54.2
193.05092	1.8
209.03033	9.3
265.66898	1.4
367.06451	2.7
385.07764	20.6
484.50674	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	727.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06995	1.7
55.01881	2.9
57.03448	13.1
59.01380	5.3
64.58138	2.0
64.88987	1.8
69.15613	3.9
69.16024	8.7
71.01363	4.1
73.97191	1.9
80.32495	1.7
83.01396	2.0
85.02956	100.0
89.02450	2.4
100.86323	1.6
110.17073	1.9
111.00887	3.2
115.13020	1.6
129.01964	8.4
134.03828	2.0
147.02994	12.6
147.50249	1.7
156.03329	1.8
160.82635	2.1
161.02458	2.1
191.01993	57.5
193.05098	2.0
209.03030	18.5
223.04529	2.5
265.88687	1.8
281.10101	2.0
303.67285	2.0
385.07733	20.0
459.93381	2.0
602.29236	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	727.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.9
57.37387	2.7
57.90372	2.4
59.01386	11.2
61.98830	10.7
65.23903	2.9
69.25671	7.6
69.26078	6.2
71.01360	2.4
85.02956	100.0
87.00862	2.9
89.02453	3.6
101.02472	2.6
104.62704	2.7
111.00903	5.6
129.01953	8.7
147.03009	12.7
173.00928	3.4
191.02005	52.9
193.04961	3.5
209.03030	28.5
221.89175	2.6
230.39372	3.1
236.19225	3.4
385.07733	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	727.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.6
57.03455	12.9
59.01379	4.7
68.99824	0.5
69.03477	0.6
71.01386	5.7
72.99300	0.7
73.02937	2.6
75.00886	2.0
77.52262	0.5
83.01395	5.1
84.02164	1.6
85.02957	100.0
86.03309	1.2
87.00885	1.5
87.04516	1.5
88.12287	0.5
89.02455	1.4
89.03982	0.6
90.95995	0.7
95.05022	1.0
97.02947	0.7
101.02451	1.3
103.00401	0.6
103.17680	0.5
111.00887	9.7
113.02437	1.2
113.06059	0.8
115.00370	0.9
117.03497	0.8
121.02988	0.8
123.04528	0.8
129.01950	22.8
133.02946	1.0
134.03752	12.0
135.04489	1.2
135.08174	3.1
145.86353	0.5
147.03017	5.7
148.46002	0.6
149.06087	2.3
153.05585	0.8
153.09221	11.4
154.99863	0.7
160.01701	3.3
161.02452	1.7
161.04672	0.5
173.00932	11.4
175.04016	4.1
178.02689	1.1
179.07159	0.9
183.10306	0.8
191.01997	7.6
193.05075	12.1
196.91200	0.6
197.04601	1.6
197.08192	13.8
239.09303	1.2
261.07626	1.3
265.10727	3.8
287.01535	0.6
299.11282	0.8
309.09976	1.4
323.07880	3.9
327.10797	5.2
349.05582	0.7
353.08899	0.7
359.13531	4.9
367.06662	5.3
371.09875	2.7
408.68048	0.5
471.15024	0.9
480.03009	0.6
489.16141	3.0
515.13824	0.8
533.15179	4.3
535.53595	0.6
551.16357	5.7
727.21167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
56.18277	0.4
57.03453	10.3
58.92956	0.4
59.01392	3.3
69.10440	3.1
69.45405	0.5
71.01390	5.7
72.99319	0.5
73.02956	1.5
75.00868	1.3
83.01394	4.0
83.05024	0.4
84.02172	1.7
85.02958	100.0
86.03297	1.2
87.00887	1.3
87.04507	0.6
87.58959	0.4
89.02463	1.4
95.05016	0.9
97.02960	0.8
99.00848	0.9
101.02460	1.6
101.35374	0.4
111.00887	9.1
113.02450	1.3
113.06067	0.8
115.00399	1.2
117.03510	1.2
123.04524	0.6
129.01955	22.1
133.02930	0.9
134.03754	12.0
135.04556	1.1
135.08170	2.3
147.02998	6.3
149.06116	1.1
153.01973	0.5
153.09229	7.8
160.01692	2.2
161.02452	1.9
173.00925	11.1
175.00392	0.5
175.04054	3.2
176.87640	0.5
177.09319	0.6
178.02716	0.7
179.03508	0.6
179.07141	0.9
183.10219	0.9
190.02783	0.5
191.01994	7.7
193.05083	10.8
197.04520	1.3
197.08200	13.8
198.08611	0.4
203.10898	0.5
209.03125	0.6
217.12315	0.4
221.11946	0.7
236.30141	0.4
236.81566	0.4
239.09154	0.8
261.07736	1.6
265.10776	3.1
287.05698	0.5
291.08389	0.4
299.11188	0.5
309.09915	1.5
323.07819	3.2
327.10883	4.7
353.08994	0.7
359.13455	3.7
367.06671	4.7
371.05960	0.7
371.09927	3.1
389.11041	0.8
489.16043	2.3
533.15198	4.4
551.16205	5.9
598.46826	0.5
727.22211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.1
57.03411	1.8
59.01385	100.0
61.98832	6.3
70.11267	1.7
71.01382	37.2
73.02956	19.2
83.01408	6.9
85.02954	18.2
87.00914	4.6
89.02457	4.9
90.87077	1.4
95.01369	4.2
96.96053	1.8
97.02946	2.6
99.00903	8.1
101.02441	21.4
105.59896	1.6
111.00922	1.7
113.02473	16.7
125.02437	8.7
143.03539	5.7
155.28418	1.4
159.02954	2.8
160.48470	1.5
161.03320	2.3
161.04550	12.2
203.05667	4.4
231.13878	4.7
239.75328	1.6
354.92316	1.4
374.85587	1.4
400.29449	1.7
435.20255	1.8
449.82010	1.6
477.21091	1.7
496.30600	1.6
537.23743	15.4
555.24518	17.8
579.24817	4.7
597.25525	39.9
598.25922	3.2
639.26532	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	727.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.4
61.98830	5.2
65.45831	1.2
68.72638	1.6
71.01388	7.9
71.45822	1.4
73.02939	2.9
80.91681	1.4
83.01404	1.6
85.02946	7.1
87.82790	1.2
89.02451	5.2
93.62284	1.3
98.22630	3.6
101.02448	5.4
113.02429	2.6
133.03030	1.4
135.04485	2.6
140.24451	1.3
142.32350	1.4
161.02406	4.1
173.97543	1.3
179.03537	1.4
195.20543	1.4
209.11923	1.9
285.85947	1.6
294.11111	1.4
299.20108	11.0
317.17896	2.4
317.21259	29.1
318.21594	2.8
345.58389	1.7
479.26566	100.0
480.26993	6.7
521.27478	8.7
627.81494	1.5
683.32825	71.4
684.33258	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	727.368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	24.6
61.98823	35.7
69.09401	11.2
69.09760	72.1
71.01388	17.5
74.70138	9.6
89.02438	23.1
93.06936	11.2
94.92464	10.3
101.02493	10.2
125.78754	11.3
277.21811	15.7
281.39496	12.1
293.24878	62.9
307.45483	11.4
397.13583	100.0
415.14642	35.7
445.23251	13.8
552.46088	11.9
600.18451	11.7
627.98615	12.9
727.36523	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78695	0.6
55.68796	0.7
57.99331	1.8
59.01382	23.4
61.98822	1.9
63.89623	0.6
64.68631	0.6
69.39018	3.5
70.47359	0.7
71.01391	2.5
73.02955	0.9
73.32081	0.7
82.08860	0.6
82.95428	1.6
83.02523	1.0
84.95127	1.6
85.00442	100.0
86.00760	1.2
87.00900	1.2
89.02461	1.8
98.21886	1.0
101.02423	1.1
113.02443	1.0
114.93509	0.7
127.11327	0.9
151.11314	2.0
169.12360	16.5
171.10284	27.7
231.12395	0.7
248.38538	0.6
253.09277	2.0
277.21753	37.2
278.21927	1.7
294.84622	0.7
428.19473	0.8
443.20709	0.7
467.21265	0.7
482.15158	1.5
483.15826	1.2
541.15997	0.7
542.16345	0.9
555.19049	0.9
556.18933	3.2
557.19244	1.0
642.22943	1.3
643.23163	2.4
683.25214	1.1
709.41656	3.0
727.42780	62.5
728.43341	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	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79497	2.2
56.79348	1.8
57.98773	2.2
59.01386	34.9
61.98817	4.2
69.21657	3.4
69.22068	7.8
71.01385	3.7
71.31664	2.0
81.03065	1.8
83.42382	2.0
89.02448	3.3
101.02462	4.9
103.94147	2.0
113.02454	4.0
151.11273	3.9
169.12349	33.3
171.10286	79.9
172.10658	3.2
231.12401	3.8
253.09253	4.7
277.21753	29.8
279.86261	1.9
335.97836	2.2
337.11340	2.1
368.24832	2.1
472.48453	2.5
696.84589	2.2
709.42462	3.3
727.42822	100.0
728.43372	11.3
741.97644	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	727.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.5
69.14004	6.0
71.01373	2.0
79.83975	0.8
87.40018	0.8
89.02441	1.1
101.02473	1.7
112.62012	0.9
117.23759	0.8
119.03496	0.9
127.11273	2.3
171.10287	100.0
172.10573	2.6
235.08258	1.7
245.98291	0.8
253.09299	5.1
277.21759	47.6
278.22131	2.1
407.19150	1.8
519.94855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74696	1.5
59.01384	22.5
61.98834	3.7
63.63448	1.4
66.03571	1.4
69.99220	3.8
71.01402	2.9
77.52182	1.4
82.32659	1.4
89.02456	2.3
98.22000	2.1
101.02459	3.6
105.58268	1.3
108.06003	1.5
127.11288	1.3
150.66455	1.5
171.10280	90.1
172.10594	2.7
235.08214	3.6
251.97627	1.3
252.00766	1.7
253.09296	6.3
271.33154	1.8
277.21762	100.0
278.22110	7.1
341.14209	1.5
533.78772	1.6
614.67981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.08747	0.8
69.09137	0.2
70.14414	0.1
78.30781	0.1
83.31259	0.2
85.84921	0.1
105.75333	0.1
109.78941	0.2
125.67667	0.1
179.05663	0.2
181.79871	0.1
192.24686	0.1
205.40565	0.1
293.81171	0.2
356.39966	0.1
399.40704	0.1
665.21887	0.6
728.21161	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	729.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73222	0.3
53.82970	0.3
59.01366	0.4
61.98814	0.6
69.21214	0.8
69.21619	1.7
71.01410	0.5
78.95918	0.5
81.03413	0.4
82.53579	0.3
83.05012	0.4
85.02971	2.5
87.00903	1.6
87.68065	0.3
88.53129	0.3
93.03452	2.8
111.04541	0.9
117.03472	0.4
127.04028	1.0
133.02948	4.5
134.03775	5.4
135.04541	29.7
136.04877	1.2
136.98569	0.8
137.02510	0.5
152.07634	0.4
155.03503	0.7
157.02763	0.5
157.05072	0.8
161.02463	14.8
166.99635	0.6
173.04572	1.3
178.02759	0.4
179.03514	24.2
180.03864	0.7
189.01711	5.7
191.05635	21.7
192.05974	0.8
200.99854	0.9
201.01706	16.6
202.02150	0.6
215.03265	0.7
249.56682	0.4
353.08749	0.7
358.07315	0.5
375.06995	100.0
376.07333	4.3
386.33066	0.4
567.13409	2.6
729.16162	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	729.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.9
57.03433	4.1
59.01381	7.2
61.98832	21.2
65.00329	3.4
65.83307	2.2
69.95927	4.7
71.01392	6.5
73.02955	4.6
83.01398	31.7
84.02189	4.4
85.02960	28.7
87.04526	26.4
91.01914	14.1
98.21910	2.6
108.02192	16.4
109.06599	13.0
111.00894	29.4
123.00900	2.6
123.04541	46.5
127.07664	17.6
129.01956	20.5
133.02966	2.7
136.01625	5.1
151.04034	3.7
152.01190	18.4
153.05586	4.8
154.99858	6.0
155.07146	22.3
161.02483	7.1
163.04037	3.5
166.02753	2.7
167.03516	100.0
174.03242	9.1
176.95790	2.1
180.97745	2.1
181.05103	16.0
189.05614	7.6
192.04317	5.3
199.06151	10.7
202.02711	3.9
207.06624	13.0
215.10741	3.0
233.04550	7.0
233.11736	3.2
235.06143	6.7
243.52391	2.1
249.05925	2.6
261.04074	6.2
277.10843	45.4
279.05118	13.2
281.08698	2.1
305.10352	29.4
389.72241	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	729.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.0
61.98825	1.4
69.07001	1.3
69.07419	2.9
71.01390	5.8
73.02956	1.9
75.00905	0.5
82.27053	0.6
85.02956	3.4
85.40107	0.6
86.73771	0.6
87.00871	3.3
89.02464	3.3
89.67613	0.6
89.73663	0.6
95.01413	0.6
96.96011	1.2
99.00872	0.8
101.02460	3.8
101.03032	0.6
111.00909	3.3
113.02454	2.6
117.03482	1.2
123.04613	0.6
127.03966	0.9
131.03529	4.4
132.02228	1.2
133.02972	32.6
134.03731	1.0
135.04555	8.4
149.04663	0.8
161.02461	100.0
161.04626	2.7
162.02788	2.7
173.04601	1.2
177.01996	0.6
179.03511	6.1
191.05635	2.2
221.06680	1.6
390.50516	0.6
499.16470	0.6
659.18915	0.8
661.19922	69.9
662.20459	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	729.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58703	0.8
59.01385	31.4
61.98823	3.1
64.08860	0.7
69.61858	2.8
70.51741	0.8
71.01390	9.6
73.02946	7.9
77.51188	0.8
78.71200	0.7
83.01373	1.9
85.02959	3.0
89.02451	6.9
90.75352	0.8
95.01424	0.9
98.17214	1.0
101.02446	7.3
113.02458	3.5
119.03507	1.8
129.90440	0.7
149.04622	0.9
161.04500	0.8
161.95027	0.7
164.16980	0.7
191.27226	0.7
211.13400	0.8
233.15443	2.1
242.06801	0.7
280.62900	0.8
301.21786	9.1
302.22104	0.7
303.23306	5.6
319.22797	4.9
463.27130	4.5
481.28094	63.9
482.28397	6.1
523.29163	100.0
524.29504	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	730.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.0
66.64314	2.1
67.53497	1.9
70.97161	1.9
71.14534	2.0
106.25120	2.0
123.04755	2.0
137.16501	1.8
288.13959	2.0
295.70029	2.1
526.15222	1.9
601.19177	3.5
614.21655	2.7
730.23706	100.0
731.23999	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	730.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18078	0.2
61.98836	100.0
80.96550	0.2
89.06212	0.2
98.22699	0.4
180.60576	0.2
207.36292	0.1
214.64618	0.2
223.58852	0.2
277.21973	0.2
393.40829	0.2
462.98535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30364	0.1
58.11905	0.1
61.98835	100.0
67.65771	0.1
69.53381	0.5
80.96545	0.2
96.64382	0.1
101.95631	0.2
113.39418	0.2
134.45280	0.1
171.10320	0.2
173.10771	0.1
277.21640	0.2
315.07153	0.2
322.88870	0.1
336.49939	0.2
731.37231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28275	0.8
55.01871	2.6
57.03452	15.9
59.01386	2.2
67.01865	0.7
71.01386	2.6
73.02929	0.6
78.01109	0.9
83.01404	5.6
85.02958	100.0
86.03288	1.4
87.00892	1.7
89.00352	1.3
91.40811	0.7
95.01373	0.9
96.96027	0.9
98.21822	1.5
106.00635	0.9
109.02950	1.3
111.00887	10.4
121.02959	17.1
123.00900	4.5
123.04597	0.8
126.47508	0.7
127.00392	0.9
129.01955	61.9
130.02341	1.0
133.02992	4.2
133.60881	0.7
134.03740	1.8
135.04536	5.4
135.05452	1.0
136.98820	1.2
137.02473	1.1
138.03239	4.5
139.00352	1.8
139.03975	1.0
147.03011	6.4
153.05585	15.3
161.02467	10.6
166.99844	3.5
167.18256	0.8
168.70488	0.8
173.00931	15.7
175.03975	0.7
175.07744	1.2
178.02733	0.7
179.03482	2.3
182.02229	8.7
191.01952	5.0
196.03812	0.9
197.04559	38.7
198.04869	1.4
203.03470	0.9
205.59567	0.7
209.03079	0.9
222.05406	1.3
229.05196	0.8
237.07622	2.3
247.06073	1.0
265.07178	8.3
309.06213	1.7
319.07928	1.1
327.07199	14.9
353.05261	1.0
371.06189	20.2
374.34021	0.7
389.07251	9.3
525.02069	0.7
569.11420	7.7
570.79791	0.8
687.18726	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	731.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05432	2.7
53.04849	2.5
59.01372	7.2
61.20331	2.8
61.98837	18.7
69.38678	6.3
69.39090	8.2
69.59928	2.5
71.01380	24.4
85.02954	3.7
98.21922	5.2
104.84262	2.8
115.00374	28.3
120.08212	23.0
122.06136	36.2
124.07687	4.7
133.01396	6.4
141.79111	2.3
161.02374	2.8
174.05554	5.5
174.56180	2.6
203.05885	4.6
236.09520	5.1
237.10243	5.2
251.11940	20.1
252.12381	4.2
254.55510	2.7
263.08212	5.1
263.11765	5.3
264.08987	4.0
265.13599	6.3
270.44662	2.6
276.09555	3.5
277.09702	18.8
278.10458	7.2
291.11386	22.2
292.12177	37.9
293.12958	23.1
324.10947	7.9
327.13580	3.0
335.10394	11.0
336.11145	6.4
337.11850	7.4
374.18777	9.1
375.19229	4.6
376.20145	3.1
397.16977	2.8
416.19830	18.1
420.19110	6.9
446.16693	2.7
460.18893	26.1
461.19754	18.5
482.27756	3.0
483.28528	3.5
492.21457	100.0
493.21841	10.1
497.24872	3.5
524.29034	3.6
525.29730	7.7
539.26880	25.6
583.25604	65.6
584.25824	4.9
615.28149	62.6
616.28442	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	731.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98831	3.6
70.62337	2.3
71.01389	28.6
72.99312	2.3
85.02943	2.2
107.03767	3.1
115.00385	33.7
120.08189	17.3
122.06133	49.5
124.07692	11.6
133.01424	7.7
144.04529	2.4
150.56322	2.1
164.07260	2.3
174.05554	7.8
203.05830	3.0
217.13284	2.0
223.08769	4.2
225.13988	2.6
236.09554	11.1
237.10294	5.6
238.10916	2.3
239.11829	2.2
241.13538	3.3
249.10249	2.4
249.13889	4.8
250.11140	4.2
251.11903	52.7
252.12509	7.8
263.08337	3.4
263.11945	3.7
264.08917	5.4
265.13458	6.4
266.10583	3.0
276.08972	6.4
277.09854	21.6
278.10596	8.2
279.11374	3.3
285.12753	2.7
291.11407	23.6
292.09012	3.4
292.12201	40.6
293.12930	24.1
294.13422	3.7
296.11627	3.1
297.12460	2.5
324.11057	5.5
327.13480	2.2
335.10281	6.5
336.11032	7.4
337.11914	8.4
372.21008	3.0
374.18762	21.0
375.19266	6.0
376.20236	4.6
414.18173	3.0
416.19824	29.3
417.20392	4.9
420.19330	30.5
448.22455	3.8
460.18927	25.0
461.19604	13.9
480.21338	3.2
492.21484	67.5
493.22052	7.1
495.27451	5.1
497.25641	16.0
498.25525	2.1
513.81586	2.0
539.26758	30.5
542.25580	2.8
571.29077	3.9
583.25647	66.0
584.25861	4.6
615.28326	100.0
616.28552	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	731.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58421	0.8
59.01372	2.2
61.98826	3.2
67.06565	0.7
71.01386	7.0
85.02980	1.6
94.06623	1.0
101.02429	1.1
105.05830	0.8
107.03805	1.0
115.00382	5.3
120.08199	14.2
122.06131	26.5
124.07703	3.4
124.63127	0.8
133.01428	1.7
136.07715	1.0
144.04561	2.0
160.04092	1.1
164.07198	1.3
174.05618	3.9
181.89331	0.8
203.05862	3.4
222.08026	1.4
223.08755	1.8
225.14009	1.2
236.09540	5.2
237.10378	3.0
238.11079	1.1
239.11873	0.9
241.13467	0.8
247.12593	1.0
249.10324	1.8
249.13992	2.0
250.11009	3.6
251.11928	22.3
252.12447	2.4
253.09830	1.0
262.11200	0.8
263.08228	1.6
263.11942	1.5
264.08948	2.9
265.09790	2.0
265.13461	4.2
266.10660	1.8
267.11246	0.8
269.09326	1.2
276.09167	2.1
277.09833	9.7
278.10571	12.1
279.11285	2.3
285.12384	1.2
291.11438	11.9
292.12210	14.9
293.12985	18.2
294.13580	1.7
295.10840	1.9
296.11575	2.0
297.12515	1.5
319.11020	1.6
324.11209	3.1
325.15488	1.4
327.13507	2.2
335.10529	3.6
336.11206	4.2
337.11920	8.1
360.17352	1.1
372.17050	1.6
374.18732	8.5
375.19308	2.9
376.20334	1.8
386.15283	1.1
388.16818	1.2
400.16602	1.5
402.18872	0.9
415.18924	0.9
416.19870	11.7
417.20444	2.8
420.19302	11.3
443.18542	1.7
448.23053	0.9
460.18851	9.7
461.19501	7.1
480.21249	1.3
492.21451	25.7
493.22092	4.5
495.27606	1.5
497.25555	3.7
539.26715	9.9
540.26160	1.0
541.24457	1.2
558.83356	0.7
563.31445	1.0
571.29620	1.6
583.25671	26.9
584.26044	1.7
615.28284	100.0
616.28632	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	731.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92710	0.8
59.01380	3.7
59.55781	0.9
61.98825	2.6
69.53140	3.9
71.01383	5.6
73.04070	1.6
81.80551	1.0
84.00910	1.8
85.02966	2.4
94.06609	1.3
96.96010	2.0
98.22630	2.0
101.02429	1.7
105.05876	1.3
113.07210	2.8
115.00387	5.1
119.05029	1.4
119.92929	1.0
120.08207	15.3
122.06139	22.9
124.07696	5.0
133.01428	1.7
144.04561	2.1
145.03038	1.3
153.06746	3.5
161.02496	1.2
162.05586	1.7
164.07173	1.2
170.09431	4.7
174.05623	4.2
186.05623	1.3
203.05879	3.0
209.10394	2.3
223.08730	2.3
225.13989	2.0
227.11537	1.8
236.09503	5.2
237.10320	3.4
249.14043	2.8
250.07304	1.2
250.11130	2.6
251.11925	23.7
252.12413	2.2
253.10034	1.3
263.08179	2.7
263.11902	3.0
264.09055	2.7
265.10001	2.3
265.13452	5.6
276.09070	2.3
277.09811	8.5
278.10645	11.3
279.11493	2.0
283.17688	2.0
285.12878	1.0
291.11478	10.2
292.12183	16.3
293.12985	20.7
296.11676	1.6
319.10715	2.1
319.22742	1.1
322.91553	1.3
324.11172	2.6
325.15503	2.4
335.10367	3.3
336.11133	5.0
337.12030	7.8
369.14462	1.7
372.16971	2.0
374.18729	8.2
375.19403	3.4
376.20142	2.6
400.17154	0.9
402.18054	1.3
416.19955	10.9
417.20648	2.2
420.19263	10.9
421.19531	1.2
437.25192	2.6
438.25290	2.3
448.22559	1.3
460.18750	10.7
461.19263	6.4
483.29822	3.4
488.42444	1.2
492.21460	36.3
493.21957	4.6
495.27835	1.5
497.25772	3.2
539.26636	10.6
583.25726	25.4
584.25934	2.0
615.28278	100.0
616.28400	7.2
624.31647	2.8
625.32025	5.2
730.35602	2.0
731.36426	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	731.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17636	0.2
57.03438	0.4
59.01383	16.5
63.63978	0.3
68.47465	0.3
71.01025	0.3
71.01392	3.3
71.91179	0.2
73.02943	2.2
81.03465	0.5
83.05027	0.3
85.02952	3.8
89.02462	2.7
96.96027	0.4
97.85046	0.3
97.98564	0.3
101.02471	2.0
103.04037	0.8
119.03538	0.7
121.02997	0.3
127.04037	0.4
161.02399	0.3
170.98990	0.4
171.44855	0.3
221.15443	0.3
259.20667	0.9
301.21643	2.5
319.22778	9.9
320.23077	0.3
321.24362	1.5
337.24066	0.4
416.09705	0.3
465.28625	0.4
483.29657	100.0
484.29996	7.1
525.30524	1.3
541.29919	1.3
623.55115	0.3
718.01642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
55.42815	1.2
57.03455	10.1
59.01381	18.8
60.99318	1.8
61.98824	2.0
67.01889	1.2
69.16250	1.3
69.98062	2.7
69.98427	2.7
71.01392	10.9
72.99311	2.3
73.02937	2.2
73.44988	1.3
77.59054	1.3
82.33775	1.2
83.01392	16.0
84.02161	3.8
85.02957	85.4
85.06627	1.4
86.03294	1.8
87.00864	2.1
88.98790	1.7
89.00353	2.5
89.02464	2.8
89.03973	2.7
90.34637	1.3
96.96014	1.7
97.06609	1.3
101.02457	2.9
106.00610	3.6
108.02179	4.3
109.02972	1.7
111.00179	2.1
111.00894	26.8
113.02443	4.1
117.03486	3.6
119.03529	1.3
121.02164	2.6
121.02969	35.6
122.03309	1.3
123.00893	5.1
123.04530	5.4
125.02411	3.4
127.00336	1.8
129.01959	18.9
132.02158	6.9
133.02945	4.1
134.03755	49.8
135.04482	3.8
137.02454	5.1
137.09755	3.0
138.03221	3.7
149.06085	7.9
153.05592	25.3
154.99831	2.6
160.01677	39.4
161.02472	6.6
162.03177	1.8
163.04016	2.1
166.99904	4.3
173.00928	2.5
175.04027	47.4
176.04451	1.6
177.05479	1.6
177.12817	2.9
178.02682	7.6
179.03526	2.4
180.19322	1.7
182.02231	11.6
185.11855	24.4
191.02069	1.6
193.05077	57.3
194.05351	1.6
195.13765	1.3
197.04567	100.0
197.11819	2.3
198.04945	1.9
202.06421	4.4
207.13916	19.5
208.14314	1.5
209.11942	1.5
217.05127	1.4
217.08717	7.2
218.05844	2.5
225.15021	7.3
231.77101	1.4
233.08212	4.5
246.53325	1.5
253.14456	32.6
261.07727	33.9
262.08124	1.8
265.07101	3.8
265.74527	1.5
295.24313	1.3
297.13486	17.6
305.06796	2.7
315.14481	3.7
327.07224	1.8
341.12497	7.3
349.05725	2.7
359.13406	3.3
371.06201	3.4
491.19107	3.2
495.18130	1.5
543.27655	3.8
544.27905	1.3
561.29059	2.8
579.08899	1.6
603.29987	3.5
621.25934	1.3
678.23657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.7
61.98841	2.4
70.63972	3.2
78.91881	7.2
109.42746	2.0
211.55029	2.0
223.28511	2.0
255.10071	1.8
264.28015	2.3
269.04300	1.7
391.65024	1.8
442.16241	4.2
443.61230	2.1
455.17276	10.0
456.34995	2.1
457.18896	11.1
469.11349	2.5
470.16177	2.1
473.18289	12.3
485.18100	6.9
496.13950	7.9
510.15359	3.5
511.16235	8.1
512.13336	23.6
513.13794	5.7
526.15027	16.0
527.15698	16.5
528.16449	5.7
560.15417	2.7
583.18091	7.5
597.20068	3.9
599.20880	7.4
614.20245	100.0
615.20825	30.9
646.18774	2.7
673.21387	4.5
675.17676	2.6
733.23816	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	733.2474
Annotation	Chloramultilide C
Peak:m/z	Relative Intensity
57.03448	0.4
59.01383	4.7
69.26237	1.0
71.01387	3.5
73.02968	0.2
77.03965	0.4
83.01396	0.4
85.02956	4.8
87.00895	0.2
89.02466	1.3
89.03977	0.3
95.01406	1.4
101.02435	1.1
105.03486	1.0
109.02985	0.2
113.02460	6.1
115.01912	0.2
117.03484	1.7
119.03539	0.3
121.02961	0.2
123.04556	0.6
132.02193	2.9
132.65273	0.2
133.02971	40.3
134.03467	0.9
135.04543	5.7
159.04329	0.2
160.01672	0.3
161.02460	100.0
162.02794	2.5
167.03482	0.3
179.03505	2.3
186.05626	0.7
193.05075	0.6
230.06956	0.7
245.09312	0.5
419.02905	0.2
425.15765	0.3
571.21484	3.0
572.22528	0.2
733.24683	36.0
734.24890	4.4
734.37274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.3
71.01400	20.0
71.25767	4.1
78.04594	2.8
85.02964	3.2
87.00885	5.8
89.02454	23.5
90.99633	3.1
96.87553	3.3
97.02937	4.5
101.02436	18.6
102.14979	2.6
103.73637	3.0
111.63390	3.0
113.02482	10.4
119.03516	7.5
125.02480	7.2
131.19307	3.3
143.03470	6.7
161.04547	5.3
171.18323	3.0
179.05600	4.4
223.89465	3.3
235.08226	8.8
293.24887	100.0
293.28091	6.2
294.25235	3.9
305.08749	5.1
397.08716	6.3
397.13568	91.4
409.70166	3.4
412.28201	3.2
415.14590	32.9
468.10876	3.3
579.98218	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	735.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67452	0.4
53.20247	0.4
59.01384	3.0
61.40273	0.4
64.01263	0.4
69.28236	1.6
69.28648	0.8
71.01386	9.9
73.02959	1.9
77.29945	0.4
79.66879	0.4
85.02975	0.6
89.02461	0.8
96.96014	1.2
101.02419	1.0
102.00317	0.4
113.02438	1.0
115.00390	9.6
117.77883	0.4
133.01433	3.4
133.02992	1.1
134.03760	0.6
135.04607	0.5
145.02994	1.0
161.02426	1.5
179.03636	0.4
193.05075	0.7
195.08115	0.7
206.07297	0.6
207.08156	1.1
208.08966	0.4
209.06076	0.5
223.07643	1.4
233.06035	0.7
234.06880	1.4
235.07697	2.8
250.06252	0.7
251.07167	10.7
252.07367	0.8
252.35654	0.4
261.05643	1.0
262.06427	2.1
263.07156	6.0
264.07849	3.3
265.08682	0.5
274.82425	0.4
277.08795	1.0
278.06000	1.0
278.09128	0.8
279.06650	19.9
279.09869	1.0
280.07071	1.1
282.09085	1.0
293.08325	0.9
294.09009	7.2
295.06094	7.7
295.09341	0.6
306.05325	0.7
307.06171	3.3
308.06851	1.6
309.07587	0.9
309.11090	0.5
310.08569	2.9
321.07791	2.1
322.08490	6.5
323.05612	18.3
323.09027	1.2
324.05945	0.5
325.81888	0.4
337.07321	1.2
338.07977	21.2
339.08319	1.1
353.10318	100.0
354.10709	4.0
506.22522	0.4
533.16510	1.1
575.17688	4.7
608.18085	0.4
691.31952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.1
58.03842	4.7
61.98832	5.4
71.01391	13.0
72.99316	4.0
85.02965	57.1
105.40554	3.7
111.00832	4.7
115.78785	4.2
129.01895	5.0
135.01260	4.4
165.38550	4.0
188.27490	4.1
191.02003	25.3
209.03047	100.0
221.99736	5.5
231.01184	12.7
353.83951	4.3
371.06125	8.4
376.35608	5.1
393.04227	9.6
460.29193	4.4
477.51599	4.5
488.45502	4.4
627.49121	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	735.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61374	0.2
55.01875	0.2
57.03443	0.8
57.86718	0.3
59.01383	5.1
60.47802	0.2
69.17019	0.2
71.01389	4.9
73.02940	0.5
77.03963	0.3
83.01411	0.3
85.02960	5.5
89.02447	1.9
95.01373	1.9
95.05053	0.3
96.03255	0.2
100.65857	0.2
101.02462	2.1
101.39556	0.3
105.03457	0.8
108.10387	0.2
113.02460	12.0
117.03524	0.4
119.03504	0.6
123.04553	1.6
129.01956	0.9
132.02182	2.1
133.02974	35.9
134.03339	1.0
135.04543	12.8
136.04895	0.3
143.03563	0.3
153.05580	1.2
161.02467	100.0
162.02817	3.5
171.78351	0.2
175.04070	0.3
179.03510	3.2
192.99664	0.8
194.08142	0.3
240.39052	0.2
297.09982	0.3
315.10754	1.2
443.15610	0.3
461.16629	5.1
477.14114	0.5
571.53583	0.3
605.18896	2.4
623.19824	53.9
624.20093	5.4
707.21973	1.3
734.76349	0.6
735.23431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01384	13.5
61.98838	0.3
63.05746	0.3
69.18609	1.5
69.59708	0.2
71.01390	3.5
71.94549	0.2
72.99324	0.3
73.02959	0.6
74.89102	0.2
81.03479	0.4
83.01427	0.4
85.02951	2.4
87.00896	1.2
89.02448	2.3
89.03987	1.1
95.01405	0.8
97.02975	0.4
98.21907	0.6
99.04529	0.3
101.02483	1.5
102.99824	0.3
104.02695	0.5
109.02963	1.0
113.02464	3.6
115.37324	0.3
117.03494	2.9
119.03533	0.7
119.05059	0.5
122.03625	0.3
124.07001	0.2
127.04003	0.6
132.02185	27.9
133.03024	1.7
134.03755	36.0
135.04143	0.8
135.31339	0.3
137.02477	0.6
137.06105	0.8
139.03999	0.3
143.03566	0.4
147.04530	0.6
149.06102	4.4
150.06886	1.7
152.04811	1.1
160.01672	92.2
161.02266	3.1
161.27904	0.3
162.06966	0.3
163.07620	0.8
167.07153	1.8
168.22076	0.2
175.04016	100.0
176.04327	3.5
178.02696	1.2
179.03452	0.5
179.10780	0.4
193.05064	31.4
194.05417	0.9
221.11784	0.3
235.06165	0.4
285.07825	0.3
290.19037	0.3
311.11337	0.8
329.12436	1.1
370.86548	0.3
421.14819	0.5
439.16138	0.6
475.18390	0.6
487.16214	0.7
487.30789	0.6
488.18134	0.3
505.17218	18.9
506.17606	1.6
517.19342	0.6
547.18298	2.4
597.20667	0.3
615.20868	2.9
616.21417	0.4
633.21912	1.2
651.23059	1.5
657.22314	0.3
675.22565	1.3
691.36743	2.8
693.24042	7.9
694.24298	1.2
735.25116	17.7
736.25403	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	737.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76455	1.1
59.01390	14.2
71.01392	9.9
71.13009	1.0
71.38915	1.6
73.02941	4.1
85.02934	5.6
87.00893	1.5
87.79616	1.4
89.02460	3.2
95.01373	1.4
99.93754	1.1
101.02428	3.2
106.96735	1.1
113.02461	7.8
125.02467	1.7
132.02199	21.3
133.02971	7.1
134.03764	17.9
135.04529	6.2
138.02496	1.2
149.06044	3.5
160.01683	66.1
161.02470	16.5
161.04543	1.4
162.02797	1.5
167.07153	2.8
171.08188	1.5
175.04021	100.0
176.04373	2.1
179.03514	5.3
193.05086	13.9
201.16493	1.1
235.04366	13.0
236.04610	2.0
237.03899	2.1
275.07687	1.6
475.18134	1.7
489.32993	1.5
499.18344	1.3
517.19318	3.6
677.49860	1.5
693.23694	26.7
693.33661	3.5
694.24432	3.0
737.24829	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	737.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
59.01384	25.8
69.03460	18.3
71.01386	15.1
71.38593	0.7
73.02956	1.3
74.22139	0.8
77.84840	0.7
79.05541	1.2
80.02698	1.0
81.03455	5.1
85.02959	3.4
87.00879	4.9
87.04525	3.2
89.02451	10.5
91.20361	0.7
93.03472	2.9
95.05024	5.8
96.96010	0.7
97.02970	3.0
101.02440	4.9
101.84032	0.7
106.04246	3.0
107.05032	2.6
108.02183	2.5
113.02464	14.3
119.03527	3.2
119.05027	2.0
121.06599	9.8
123.04536	55.1
131.05016	1.4
134.03732	2.9
135.03609	0.7
137.06078	1.9
139.03981	0.7
149.06087	34.1
150.06427	1.0
161.04562	0.9
165.05621	1.7
167.03468	1.6
167.07150	40.3
168.07489	1.0
177.95482	0.7
179.05519	1.0
193.05060	1.6
209.04514	1.0
211.06142	50.6
212.06590	0.9
289.54407	0.8
373.11414	100.0
374.11771	2.9
427.42926	0.8
442.72772	0.8
510.43744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82229	1.0
55.53281	1.1
57.03446	1.3
59.01381	15.4
59.53495	1.1
61.98841	1.3
69.65837	1.0
71.01388	16.5
73.02946	2.4
85.02956	12.6
87.00874	2.9
89.02473	6.3
89.04002	1.5
94.94338	1.1
95.01414	4.8
98.22652	4.5
99.41133	1.2
101.02461	3.5
105.03443	1.4
107.82011	1.0
113.02456	23.2
117.03462	3.6
119.03550	1.4
124.62627	1.1
127.03993	1.3
131.03499	3.8
132.02182	19.7
132.64896	1.1
133.02971	14.4
134.03758	55.1
135.04538	3.2
149.04616	2.2
149.06070	3.9
160.01669	78.1
161.02455	29.4
161.04604	3.0
162.02863	2.9
175.04013	100.0
176.04361	2.9
178.02737	1.7
179.03537	1.7
191.05652	3.3
193.05064	62.6
194.05463	2.5
214.24553	1.4
357.53183	1.1
440.32443	1.3
489.32074	1.7
561.21912	2.1
605.22205	1.8
677.49982	1.2
693.32965	1.6
714.59698	1.3
736.73895	9.4
737.26324	45.4
737.73883	5.9
738.26605	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	737.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64521	2.0
53.27238	2.7
57.03449	3.4
59.01385	55.3
60.13296	2.3
61.98831	6.1
71.01385	31.4
71.39488	2.0
73.02957	14.6
79.95762	2.5
83.01391	4.6
85.02952	24.9
87.00886	4.6
87.04515	6.4
89.02461	9.5
93.52921	2.1
96.96028	4.4
97.45647	2.2
99.00890	4.5
101.02438	16.8
113.02477	18.7
119.03468	3.8
131.03491	2.4
131.39008	2.1
133.02963	3.8
134.03778	3.4
135.04549	3.0
140.62793	2.2
160.01660	4.6
161.02483	15.5
161.04550	9.2
175.03976	5.1
179.03528	3.4
191.01926	5.1
208.40892	2.4
221.06694	3.9
234.98134	2.2
235.04387	9.3
429.24826	3.0
459.26511	2.2
489.31909	3.4
520.87958	2.7
543.27228	2.5
591.30475	4.8
675.31964	5.3
677.48132	3.4
693.33398	100.0
694.33667	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	737.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.5
61.98831	1.7
68.85325	1.3
71.01384	31.0
72.99309	2.4
73.02945	3.9
81.03461	1.9
83.01395	4.7
85.02962	4.6
87.00889	6.3
87.55476	1.5
89.02449	27.4
97.02960	6.0
99.00876	2.3
101.02440	24.7
104.85764	1.5
105.95289	1.4
113.02451	13.6
119.03522	8.0
125.02451	9.9
141.01717	4.0
143.03484	4.6
160.01552	2.2
161.04572	5.1
175.04041	1.7
179.05634	5.6
201.11382	1.6
221.06778	2.2
228.73746	1.6
235.08226	10.4
245.06816	1.7
253.09293	3.6
277.09177	1.8
277.21631	1.6
279.23309	89.4
280.23639	6.2
287.07819	3.3
305.08752	3.2
323.09912	2.2
397.13538	100.0
398.13885	5.0
415.14624	33.4
416.15088	2.3
474.09125	1.7
489.18704	2.1
607.73486	3.0
737.33612	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	737.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	49.1
61.98821	6.6
66.62043	1.4
69.03445	2.5
71.01390	29.5
73.02954	4.4
83.01409	3.4
85.02949	6.5
87.00896	4.7
89.02447	24.4
95.01397	2.8
97.02966	5.3
98.22635	3.8
99.00831	2.0
99.93782	1.4
101.02456	24.0
103.93552	1.4
106.26545	1.4
113.02467	12.2
119.03490	6.7
125.02476	9.0
130.79912	1.3
135.04530	3.2
139.27933	1.3
143.03497	4.3
161.02457	2.3
161.04562	7.4
179.03403	3.3
179.05690	4.0
199.20435	1.5
225.11105	2.1
229.56908	1.5
235.08278	11.2
251.49901	1.4
253.09337	2.6
277.21814	1.6
279.23309	82.2
280.23624	5.1
287.07675	4.7
305.08801	2.9
345.16083	1.6
397.13531	100.0
398.13828	4.5
415.14581	35.4
677.37292	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
61.98839	11.5
69.03454	3.3
70.47292	3.0
71.01384	4.7
84.54527	1.4
84.55081	1.3
89.02447	2.7
92.66048	1.3
101.02426	3.3
113.02457	2.3
125.09676	1.8
151.11346	1.9
161.09680	4.2
179.10760	8.4
197.11830	40.7
253.09418	1.9
277.21732	51.0
278.22031	3.8
310.05179	1.7
423.90918	1.7
477.19650	2.2
737.41199	100.0
738.41669	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.3
61.98587	0.9
61.98841	9.2
66.99654	1.0
69.03458	4.1
69.11060	1.6
69.11471	5.4
71.01375	3.8
71.05019	1.6
82.87963	1.0
83.01378	1.4
88.98804	2.4
89.02440	2.0
101.02454	4.7
113.02451	1.6
115.63216	1.1
123.08150	1.2
135.97685	1.0
151.11301	2.5
153.12912	1.5
161.04579	1.7
161.09695	2.9
179.10786	6.0
197.11842	82.0
198.12180	1.8
223.09779	1.7
241.10883	4.1
253.09239	2.1
262.59717	1.2
277.21753	31.3
278.22064	2.7
288.03696	1.3
477.19913	3.1
737.41248	100.0
738.41724	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46533	0.2
59.01384	12.5
67.96794	0.2
80.05066	0.2
81.03461	4.5
82.06638	0.4
83.05032	11.4
100.07677	0.3
108.04578	0.4
118.06950	0.2
125.07223	0.7
126.05605	0.5
131.22292	0.2
143.08266	0.3
159.38980	0.2
207.15027	1.0
224.17734	1.7
225.16093	9.6
226.16376	0.3
242.18748	0.3
250.15695	0.3
309.21768	0.6
324.26556	0.4
333.22864	0.6
341.29126	0.6
356.34695	0.2
367.27188	1.2
407.33459	0.3
433.31778	0.8
450.34506	0.8
451.32938	6.0
452.32913	0.3
468.73471	0.2
500.05115	0.2
550.43567	1.0
565.44055	0.3
593.43927	0.5
659.48383	1.5
677.49719	100.0
678.50006	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	738.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
60.54560	0.8
61.07826	0.8
61.98835	100.0
62.52398	0.7
71.01400	0.8
73.02965	2.4
85.02984	0.7
97.90744	0.7
98.22715	1.4
116.24991	0.6
122.06168	2.4
134.03737	1.1
144.04584	0.8
160.01721	0.9
161.02477	2.6
175.03972	1.4
179.03487	0.9
201.10484	1.0
203.05917	1.0
213.10443	1.3
251.11800	0.9
265.09772	0.8
293.09433	1.1
297.12482	1.0
299.13977	9.7
325.12000	2.1
333.09082	1.5
337.11963	3.7
351.13763	0.9
356.14188	1.0
365.11737	4.3
366.11859	0.8
383.16248	2.8
388.16763	0.8
397.14307	0.9
398.15359	1.4
403.19135	3.4
404.19830	4.9
416.65701	0.8
427.26178	0.8
430.17722	1.6
436.68820	0.8
470.17523	1.2
471.18143	1.5
488.18695	1.7
520.21173	1.1
522.22852	0.9
525.25531	1.3
528.51581	0.8
534.22473	3.3
543.26312	1.3
545.83496	0.8
552.23523	15.7
593.24707	2.1
611.25311	8.0
612.25787	1.3
613.27197	1.5
625.26666	5.0
643.27765	34.2
644.28662	2.7
675.30859	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.16809	0.1
61.98836	100.0
62.98544	0.2
69.28760	0.5
71.01405	0.1
96.19634	0.1
125.83076	0.1
132.29987	0.1
224.49400	0.1
251.54140	0.1
278.22302	0.1
279.23065	0.2
399.13947	0.2
400.14679	0.1
406.57846	0.1
417.15152	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	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26365	0.1
59.01373	0.2
61.98832	100.0
71.01390	0.1
89.02444	0.2
98.09921	0.1
98.21960	0.4
98.22683	0.2
104.70634	0.1
178.05374	0.1
278.22086	0.2
279.22910	0.1
357.68356	0.1
373.80759	0.1
398.13782	0.1
399.14130	0.1
534.87531	0.1
716.49512	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	738.509
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
55.36056	21.2
73.74772	19.4
76.78709	20.9
85.96402	25.3
102.66689	19.1
107.37978	19.4
110.38754	19.0
163.18050	21.4
169.95107	19.0
227.30402	19.2
279.23276	100.0
281.18399	23.5
308.48602	21.5
309.34592	20.3
318.88660	19.9
475.21756	21.0
738.50500	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	739.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57857	1.3
51.72649	1.4
55.01868	2.2
56.92270	1.5
57.03446	11.9
57.81808	1.5
59.01382	6.6
62.61306	1.3
69.41840	1.5
71.01395	5.6
71.28311	1.5
73.02953	2.0
75.00887	3.1
83.01408	2.2
84.02157	1.9
85.02956	100.0
87.00880	1.5
89.02462	1.8
93.04134	1.4
101.02451	1.8
111.00897	5.0
129.01947	9.7
133.01447	3.6
134.03775	3.1
135.04486	1.5
147.03015	10.0
173.00911	3.1
179.03552	3.0
191.01984	57.0
191.05652	6.3
193.05019	2.9
209.03023	24.4
244.86713	1.5
292.55151	1.7
383.09674	1.5
385.07724	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	739.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57768	0.7
52.79062	0.6
55.01871	2.8
57.03453	14.3
59.01371	1.6
67.01888	0.5
69.29445	2.8
71.01397	2.3
71.99280	0.5
83.01400	4.6
84.02187	1.5
85.02956	100.0
85.83868	0.6
86.03286	0.9
87.00903	0.9
98.21951	0.8
101.02489	0.8
103.50634	0.5
109.99246	0.5
111.00893	11.5
117.03484	1.4
118.53769	0.5
120.65998	0.5
125.66188	0.5
129.01959	23.3
132.02208	0.9
133.01434	0.7
134.03766	17.5
135.04213	0.5
145.03043	0.8
147.03014	10.3
160.01701	4.4
161.02402	0.6
173.00931	11.1
174.03229	1.5
175.04022	3.6
189.83501	0.5
191.01987	7.5
193.05083	17.0
225.16177	0.6
239.07094	0.6
251.07312	1.1
261.07733	2.2
263.07132	1.1
267.06607	2.3
275.72989	0.5
277.05099	0.6
279.06653	0.7
282.08972	1.4
293.04767	0.7
293.08081	0.7
294.09018	0.7
295.06171	0.8
304.07425	0.9
305.04684	0.6
308.06973	0.9
309.07767	0.7
311.38757	0.6
322.08234	0.6
323.08221	3.6
328.11288	0.6
334.52686	0.6
335.09106	0.8
338.07855	1.3
341.10312	3.8
353.10410	8.0
354.10800	0.9
367.06644	4.4
371.11234	1.4
409.12970	1.0
421.12936	2.3
501.13782	1.2
580.41174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03456	13.7
59.01377	3.9
61.98830	0.5
67.97807	0.5
71.01392	2.1
72.82559	0.5
73.02953	1.0
73.29965	0.6
74.91438	0.5
83.01397	4.5
84.02177	1.7
85.02958	100.0
86.03313	1.2
87.00881	1.9
89.03973	0.8
97.92042	0.5
98.21809	1.2
100.55100	0.6
101.02498	0.9
108.02171	0.9
111.00888	10.9
117.03451	2.9
117.31991	0.6
129.01956	23.8
129.68283	0.6
133.03004	1.4
134.03757	22.2
135.04480	0.8
136.01762	0.7
145.02971	1.9
147.03003	9.2
149.06108	2.8
158.88916	0.6
160.01627	2.7
161.02435	2.4
163.04065	0.8
173.00922	10.7
173.02385	1.0
174.03192	1.0
175.04028	4.2
178.02716	0.6
179.03542	1.1
191.02007	8.9
193.05072	19.1
194.05426	0.6
249.05551	0.6
251.07159	1.2
257.34784	0.5
261.07776	1.8
264.08072	0.8
267.06647	1.7
269.04550	4.0
277.05032	1.1
279.06650	1.9
282.09174	0.8
293.04721	0.8
294.05450	0.6
294.09070	0.8
295.06039	0.9
304.07230	0.7
305.04697	0.8
308.06726	0.9
308.43344	0.6
309.07608	1.2
322.08307	0.9
323.08078	4.9
326.08087	0.9
335.09363	0.7
338.08078	1.0
341.10379	2.6
353.10312	7.0
367.06763	6.9
371.11426	1.3
373.37369	0.6
407.88879	0.6
409.13196	1.7
421.13110	2.0
478.34549	0.6
501.14243	1.3
505.19031	0.9
517.18652	1.6
545.13104	1.0
563.14410	1.2
621.56635	0.7
707.47345	0.8
737.73553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2095
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01891	1.6
57.03443	4.7
59.01387	27.0
60.10437	1.3
69.16536	6.8
71.01389	41.5
72.32710	1.2
72.99314	12.8
73.02943	3.1
78.89558	1.2
83.01375	2.0
85.02959	33.8
87.00894	2.2
89.02460	13.7
95.01403	16.7
97.03011	1.4
99.00842	1.4
101.02475	8.8
107.05085	2.4
113.02462	65.0
115.00381	13.4
119.03486	4.9
122.12213	1.5
123.04515	7.8
132.02162	3.5
133.02972	45.2
134.03758	3.9
135.04538	70.0
136.04868	2.3
153.05580	8.1
161.02466	100.0
162.02750	2.8
179.03506	5.5
189.05629	1.3
193.58905	1.4
295.86099	1.3
297.09738	3.7
297.12857	1.3
315.10822	6.0
461.16492	6.6
517.15369	8.1
543.82501	1.5
577.17780	91.4
578.18152	6.1
610.28784	1.8
623.19800	7.5
679.18591	6.2
721.19891	3.7
739.20990	96.1
740.21143	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	739.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74899	0.4
59.01385	9.1
59.96049	0.3
66.59061	0.3
68.18902	0.3
69.26616	0.6
69.27026	1.5
71.01394	6.5
72.99282	0.5
73.02940	0.6
83.01392	0.5
85.02954	5.9
86.00146	0.3
87.00901	1.4
89.02447	3.6
93.67425	0.4
95.01405	1.7
98.21850	0.8
101.02424	2.0
105.03459	0.7
113.02463	8.8
115.01888	0.5
117.03448	1.5
119.03500	0.9
119.05013	2.4
127.04038	0.5
131.03503	2.6
132.02167	2.9
133.02979	38.4
134.03827	2.0
135.04544	9.8
135.05521	0.7
145.02975	0.7
148.53181	0.4
161.02467	100.0
162.02788	3.0
179.03506	4.6
183.48038	0.4
191.05684	0.9
193.05008	0.4
221.87671	0.4
232.61417	0.4
350.32520	0.4
394.40042	0.6
445.17661	0.6
519.01630	0.4
576.84802	0.4
577.21143	2.6
607.20319	1.0
621.90637	0.4
739.24579	45.7
740.24847	5.2
751.56708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87361	3.1
55.01874	3.6
57.03445	5.0
58.77967	3.6
59.01377	27.7
61.98851	5.9
71.01382	22.5
85.02950	47.0
89.02452	12.7
95.01406	4.6
96.96021	4.3
97.30680	3.2
101.02448	9.9
105.03498	3.4
113.02460	32.8
117.03487	34.9
119.05029	18.9
129.01877	4.3
131.03435	4.6
132.02225	3.8
133.02974	45.3
134.03766	5.8
135.04526	37.1
136.01683	6.0
145.02968	71.6
146.03244	3.8
151.04099	4.0
153.05486	5.9
161.02463	99.8
163.04076	19.7
179.03508	9.6
183.10321	4.6
191.01964	8.7
193.05064	6.0
353.10025	4.8
358.10205	5.1
373.13083	4.8
593.20825	11.1
669.25293	4.0
739.24554	100.0
740.25037	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	739.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
57.14251	0.8
59.01385	91.6
61.98843	1.5
69.03461	1.1
71.01388	28.6
73.02952	69.2
75.00871	1.6
81.03448	1.4
83.01386	15.2
83.86504	0.8
85.02961	5.9
87.00890	0.9
89.02452	7.3
93.03474	1.1
95.01416	1.8
97.02970	1.5
101.02453	46.2
108.02193	1.0
113.02460	15.6
113.03209	0.6
118.55797	0.8
119.03518	3.4
119.04998	0.7
119.66633	0.9
120.13015	0.8
121.03008	2.3
125.02460	1.5
127.30443	0.8
131.03485	4.1
133.53969	0.7
134.03749	0.9
135.04541	2.8
136.01674	7.2
137.02417	3.1
143.03514	3.1
145.02951	1.2
145.06628	1.0
149.04565	3.4
151.04050	6.8
155.03566	1.3
159.04544	1.0
160.05370	1.5
161.02467	2.2
161.04579	6.7
161.05936	1.7
163.04036	1.5
172.05334	2.5
173.06053	1.1
175.04027	1.8
176.04572	0.7
177.05547	1.0
179.03560	1.3
189.05595	3.6
190.06378	3.1
191.07251	1.0
193.04990	1.1
203.05527	1.3
205.08794	0.8
209.06219	1.3
209.59412	0.8
221.06392	1.2
224.04840	1.1
225.05638	1.8
226.06268	1.3
237.05632	1.1
238.06390	1.6
253.05046	7.0
259.85300	0.8
265.05072	2.6
266.05899	2.5
267.06616	2.4
279.06677	2.3
280.07385	3.5
281.04572	21.2
281.07730	1.1
282.05093	2.0
295.06134	1.1
296.06915	18.6
297.07343	2.3
307.06271	1.7
307.09735	0.9
311.09204	10.2
321.07742	2.0
336.10040	3.0
341.23361	2.9
344.58002	0.9
351.12289	1.3
417.16693	0.9
417.58936	0.8
439.11807	1.2
443.14908	1.1
457.13040	3.6
459.14478	2.5
471.14139	2.3
472.15817	4.6
473.16000	1.0
487.13907	10.3
487.18246	5.1
488.14395	1.2
499.17191	0.8
502.16339	9.5
503.16708	1.5
517.18713	100.0
518.18878	10.2
762.12146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.2
61.98832	11.9
62.75798	0.8
63.78570	0.8
64.53047	0.8
66.16663	0.8
69.10635	3.8
71.01376	6.5
71.05013	2.4
73.02947	1.3
84.05379	0.7
85.02944	1.3
87.00915	1.5
89.02439	2.9
96.96011	2.3
97.02954	2.6
97.06565	2.0
99.00886	10.7
101.02462	4.8
109.06613	1.5
110.03735	1.8
113.02451	2.4
119.03530	0.8
125.09722	3.4
127.11304	1.4
150.29329	0.8
153.12854	0.9
155.69626	0.7
161.04611	1.5
163.11305	7.8
171.10248	3.1
181.12343	14.0
182.12503	1.1
197.11887	2.2
199.13411	19.8
201.11401	1.0
204.75642	0.7
207.08301	1.6
207.10277	28.5
208.10815	1.3
225.11333	51.2
226.11682	1.8
235.08243	1.8
243.12376	13.2
253.09302	3.7
277.21756	41.9
278.22058	2.2
290.66440	0.8
296.03552	0.8
461.20233	9.5
462.20642	1.1
479.21442	2.9
554.67529	0.8
721.42340	5.2
739.42792	100.0
740.42981	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01384	6.4
60.30931	0.7
61.98845	1.1
62.85286	0.6
69.81546	0.9
69.81882	2.1
71.01385	5.5
71.05023	1.9
73.02944	1.2
85.02934	1.4
87.00869	0.7
89.02459	1.8
97.02966	3.1
97.06612	2.6
98.22617	1.0
99.00893	9.7
101.02470	2.9
107.31080	1.0
110.03766	1.0
113.02452	1.6
123.08116	0.7
125.09715	4.7
161.04578	1.0
163.11349	6.1
171.02904	1.0
171.10275	2.9
181.12372	9.7
199.13391	11.3
207.10274	19.3
225.11349	34.6
226.11617	0.8
235.08215	2.4
243.12383	6.0
253.09291	2.9
277.21759	55.4
278.22092	2.7
280.23593	0.9
300.28635	0.7
300.78595	0.7
317.16095	0.8
443.19324	1.0
461.20523	3.6
479.21317	1.4
591.52173	0.8
660.44971	0.9
721.41620	5.1
739.42816	100.0
740.42938	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	740.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
60.64786	0.2
61.98835	100.0
68.24020	0.2
71.01418	0.2
71.06068	0.2
97.17598	0.2
99.92605	0.3
116.92857	2.6
127.28232	0.3
145.44342	0.3
161.02473	0.5
197.11890	0.3
211.13385	2.0
212.13855	0.9
228.13226	0.3
279.24234	0.2
309.20834	0.5
310.21280	0.4
484.16766	0.4
505.29047	0.3
580.59369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28124	0.1
58.10122	0.1
59.01367	0.2
61.98835	100.0
62.98537	0.1
69.53882	0.3
81.03481	0.1
83.05042	0.1
200.20262	0.1
225.16156	0.1
226.16376	0.1
249.62206	0.1
253.29659	0.1
429.19650	0.1
436.53983	0.1
445.22119	0.1
454.34091	0.1
644.52393	0.1
678.51172	0.1
679.49994	0.4
680.50598	0.9
740.49304	1.2
741.50238	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	741.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45665	1.4
59.01389	1.8
61.98827	2.4
69.02284	9.1
77.03970	2.2
93.17442	1.3
98.22289	7.5
98.90629	1.2
101.44114	1.3
120.91064	1.2
121.02967	100.0
139.40350	1.4
141.01715	1.8
141.86180	2.0
165.01947	75.3
166.02289	1.9
181.06635	2.8
191.03505	1.7
193.16821	1.3
313.07016	2.0
357.06201	11.1
388.82809	1.2
587.23053	1.4
741.14520	4.7
759.50537	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	741.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01389	3.9
61.00097	1.7
70.77541	3.2
71.01377	5.0
71.97271	1.6
73.02959	1.8
83.01373	1.8
85.02943	12.3
88.10313	1.5
89.02452	3.5
94.82303	1.4
96.96015	5.5
101.02455	1.4
108.02180	56.9
109.02971	25.7
129.01964	2.0
133.02965	6.9
134.03766	4.4
135.04543	39.1
151.04024	3.0
152.01163	90.7
153.01872	6.5
161.02463	16.8
163.03951	3.0
179.03493	23.4
191.02010	4.8
209.02910	1.5
220.58409	1.5
241.07164	7.2
279.64453	1.4
285.06146	2.1
300.02780	6.0
399.09164	4.8
417.10388	52.0
418.10727	2.5
467.20636	1.7
579.13562	57.7
580.14001	4.9
621.14697	3.5
633.16577	1.9
741.18903	100.0
742.19293	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	741.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.4
65.00333	1.3
65.04068	1.2
71.01382	2.9
73.02945	1.5
77.99968	1.0
83.01439	1.2
85.02946	3.1
85.06604	3.5
89.02446	1.2
101.02442	1.3
107.01429	1.4
108.02161	2.9
109.02961	1.6
113.02477	2.8
113.06074	3.2
131.07153	32.4
135.00798	1.3
135.04529	2.1
148.01654	1.4
151.00381	7.0
152.01178	5.4
161.02444	2.5
173.08199	13.2
178.99840	3.9
179.05684	1.5
199.09859	1.4
216.62747	1.1
226.02701	1.9
227.03543	2.9
243.02965	11.0
254.02333	2.5
255.02975	25.0
256.03308	1.4
271.02502	60.6
272.02979	4.6
299.01920	1.8
300.02771	100.0
301.03369	8.8
307.43359	1.2
350.38843	1.1
368.36288	1.1
417.10309	2.0
463.44540	1.2
579.17444	1.2
637.27039	1.4
655.28632	2.5
688.18817	1.3
741.18884	64.6
742.19397	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	741.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.05775	1.2
59.01385	53.1
61.98832	3.3
69.03460	1.2
69.52715	3.7
71.01392	21.2
73.02952	32.0
83.01395	6.7
85.02964	8.9
87.00883	1.3
87.04517	2.4
89.02465	7.4
95.01346	1.6
96.96014	1.7
98.21877	2.0
99.00892	1.4
101.02449	30.6
108.02198	2.5
109.02971	2.6
113.02462	13.0
115.00404	5.9
116.01114	1.0
119.03518	5.5
119.05051	1.3
121.02982	5.8
122.03739	3.2
123.00921	1.2
125.02431	1.4
131.03488	2.0
133.01456	9.5
134.03802	2.0
135.04530	3.4
136.01678	95.5
137.02397	2.1
143.03479	4.1
149.04567	6.3
151.04022	100.0
152.04443	1.7
159.04549	1.3
160.05299	1.9
161.02477	2.6
161.04556	11.3
161.05919	1.7
162.03314	1.7
163.04008	4.0
175.04037	2.7
176.04781	1.8
177.05519	2.0
179.03572	2.5
179.05710	2.3
187.03938	1.2
189.05602	1.7
191.07155	3.5
197.04532	1.5
206.05774	1.6
221.06667	2.6
238.46211	1.1
263.65460	1.1
312.10074	1.5
327.12271	9.1
339.12558	2.2
342.11093	4.1
357.13464	66.2
358.13797	5.0
383.10034	1.2
539.27203	2.1
551.93304	1.3
573.87860	1.4
581.27844	3.2
681.25623	9.4
699.26599	3.3
741.27295	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	741.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
61.98830	16.6
71.01394	5.3
83.05032	4.9
85.02946	6.0
94.98096	11.0
96.52790	4.0
98.21817	9.2
105.29655	4.2
115.00377	6.3
116.28352	3.6
133.01436	9.5
156.17049	3.8
161.02428	5.7
171.10254	5.2
209.11850	100.0
227.12891	27.7
235.08162	6.9
253.09279	7.2
296.59781	4.2
337.75320	4.6
407.46448	5.1
445.21017	5.7
623.59991	4.1
741.34515	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	741.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98829	3.3
67.23330	0.8
69.69073	2.7
71.01355	1.0
71.02503	1.7
72.45844	0.7
73.04078	5.7
82.47100	0.8
82.95387	0.8
83.02506	2.5
84.00900	2.0
85.02948	1.7
95.02525	4.7
99.01996	6.6
110.03617	1.7
111.01984	2.4
112.05155	3.8
113.03574	3.8
113.07243	6.2
129.10365	4.5
130.06226	7.0
136.05298	1.8
138.03087	0.9
139.08772	2.3
140.07188	1.7
141.10301	2.2
146.06134	3.4
151.08769	8.8
152.07185	1.2
153.06674	3.6
155.08249	2.8
156.04213	1.2
158.06091	1.6
160.07695	1.0
161.02480	1.5
165.09169	1.7
168.11420	4.2
169.09827	3.3
170.09373	7.7
177.43903	0.9
186.05614	4.0
186.12503	3.2
187.08386	1.3
199.08769	1.2
203.08324	7.3
208.14247	1.1
209.13115	1.4
220.10802	1.3
225.13435	1.1
226.15587	1.4
238.15762	1.0
241.13332	1.2
242.09424	8.3
243.14746	1.1
259.11957	2.7
260.10391	7.7
265.16690	15.1
277.13022	3.1
283.17758	4.1
340.16107	1.4
340.19855	2.3
364.10779	1.0
378.25543	1.0
380.19336	1.7
390.21429	1.7
397.03296	0.9
430.20493	1.3
437.21411	2.3
447.31177	1.0
454.24310	3.6
487.22977	2.2
544.28900	12.6
545.29053	1.5
600.35254	1.4
641.26239	1.1
697.36884	100.0
698.37000	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	743.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03455	11.4
59.01384	9.4
61.95996	0.3
63.51738	0.4
64.03301	0.4
64.82806	0.3
68.99818	0.7
69.13206	0.3
71.01394	5.4
72.99308	1.7
73.02950	1.7
75.00895	3.0
83.01395	4.0
84.02167	1.8
84.34276	0.4
85.02958	100.0
86.03291	1.5
87.00877	1.1
88.22874	0.4
89.02437	0.9
92.97502	0.5
96.96026	2.1
98.22643	1.2
99.00925	0.7
101.02457	1.5
103.00397	1.4
106.38452	0.4
107.72203	0.4
109.02954	0.4
111.00893	5.5
113.02459	0.8
115.00372	1.3
121.02948	0.5
129.01958	9.3
133.01498	0.4
134.03816	0.4
135.04550	0.6
136.01672	0.6
147.03009	15.5
151.04012	0.7
161.02486	0.7
173.00932	1.7
179.03632	0.5
191.01991	46.3
192.02376	0.9
193.05186	0.5
197.04625	1.2
209.03061	0.8
251.07118	0.5
279.06662	1.0
295.06210	0.4
322.08020	0.6
323.05746	1.0
333.20801	1.7
338.07864	0.7
353.10318	2.9
463.14133	0.5
495.26358	0.6
537.26941	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	743.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22769	0.5
54.21325	0.4
55.01881	2.4
57.03176	0.8
57.03454	14.6
58.63332	0.4
59.01381	3.6
61.98824	1.4
68.99819	0.4
69.13062	2.7
71.01394	2.0
72.99319	0.4
73.02936	1.0
79.49717	0.5
83.01395	4.5
84.02171	1.0
85.02957	100.0
86.03284	1.3
86.80422	0.4
87.00894	1.1
89.02401	0.4
98.21896	0.9
101.02455	1.3
106.00614	0.7
111.00894	11.8
115.00356	1.1
121.02969	9.5
123.00890	1.7
125.02479	0.8
127.00390	0.5
129.01956	44.9
130.02344	0.5
133.03040	0.7
137.02457	0.6
138.03250	2.3
139.00409	1.3
147.03009	9.3
153.05579	5.6
161.02411	1.1
166.99875	1.3
168.00687	0.9
173.00932	10.3
174.03261	0.6
179.03577	0.7
182.02219	3.4
191.01985	10.5
191.03502	0.5
192.53427	0.5
197.04567	16.2
222.05222	0.7
237.07721	1.1
250.44775	0.5
251.07146	1.0
263.07047	0.7
264.07813	0.7
265.07184	6.0
267.06653	2.5
279.06757	2.1
282.09033	1.1
294.05453	0.7
294.09003	0.6
297.11386	0.5
308.06912	0.6
309.07440	0.9
310.08453	0.5
322.08243	0.6
323.05594	1.5
323.09134	0.7
326.07813	0.8
327.07272	8.4
338.07947	1.8
341.10278	4.8
353.06198	0.7
353.10339	8.5
371.06223	2.8
371.10919	0.8
409.13199	0.8
421.12970	1.2
501.14172	1.3
545.13708	0.6
743.24451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03448	6.1
58.02977	0.5
59.01386	3.1
61.98835	100.0
68.50649	0.5
68.99812	0.7
71.01379	2.7
71.39515	0.6
73.02941	0.7
74.02489	0.6
82.03018	0.6
83.01375	2.2
84.02191	0.5
84.04576	0.8
85.02957	47.3
86.02482	3.3
86.03280	0.6
87.00879	0.5
96.96027	0.6
101.02471	1.0
102.98603	0.6
109.02982	0.5
111.00883	5.4
113.02433	2.3
120.00572	0.5
120.01259	3.2
121.02996	3.9
123.00842	0.5
127.05161	0.8
127.08800	2.8
128.03554	30.7
129.01955	19.8
129.03992	0.5
133.02975	6.2
134.03844	1.1
135.04532	6.7
135.05499	0.5
138.03214	0.7
139.00444	0.7
147.03033	4.2
153.05609	3.1
153.06770	1.9
156.97720	0.5
160.01646	0.6
161.02460	15.4
161.06140	0.5
162.02879	1.3
166.99966	0.5
171.07776	8.6
173.00941	5.6
179.03499	8.9
179.04860	0.5
180.03908	1.0
182.02243	1.6
189.05634	0.6
191.01962	3.8
191.03397	0.4
193.05070	0.5
197.04564	9.0
197.06140	0.6
215.06844	1.7
227.10834	1.8
231.04546	1.7
239.07152	0.5
245.11815	2.5
247.09743	0.6
247.13591	0.9
249.05524	22.8
263.07513	0.5
265.07086	2.3
266.08231	0.9
267.06607	0.7
279.06870	0.8
295.06052	0.6
323.05722	0.8
327.07233	3.6
338.08310	0.5
341.10440	2.2
353.10294	3.7
354.10699	0.5
371.06439	1.7
424.87640	0.5
453.31085	0.5
501.14264	0.7
545.13098	0.7
563.13977	0.7
623.20697	0.6
687.22260	0.6
742.73773	0.5
743.25067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64315	3.1
53.91749	2.0
55.01876	2.2
59.01083	5.5
59.01383	100.0
61.98830	10.7
64.33028	2.7
69.03470	4.3
71.01392	39.5
71.39658	3.7
72.63733	2.3
73.02951	16.6
83.01408	10.4
83.05030	2.3
85.02959	26.6
87.00893	4.5
89.02441	5.8
95.01402	3.9
96.96021	4.0
97.02961	6.6
99.00923	5.7
101.02471	25.0
101.92312	2.1
111.00890	2.9
113.02464	24.0
116.69657	2.5
121.02913	2.3
125.02448	8.5
133.02979	7.1
134.03734	4.1
135.04549	9.2
137.02490	3.3
143.03510	9.0
145.02921	2.9
149.66078	2.7
161.02466	14.4
161.04520	16.9
165.14981	2.8
179.03516	5.7
235.04402	3.2
235.14848	2.8
247.13358	8.4
284.32904	2.7
307.47067	2.9
413.37296	2.5
451.19489	5.4
553.22961	37.3
571.24054	32.7
595.23956	4.8
613.24988	25.6
614.24921	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	743.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.47004	4.1
61.98825	13.1
69.03474	4.8
70.97110	3.7
71.01381	36.9
73.02950	19.9
83.01382	11.5
85.02968	19.5
89.02453	7.0
95.01395	6.6
96.96024	4.5
97.02971	7.8
99.00890	10.1
101.02442	30.8
113.02448	18.8
125.02442	9.4
131.03503	5.2
133.02972	12.2
135.04535	11.3
136.96217	3.8
138.06393	3.8
142.15685	3.2
143.03453	5.9
159.02982	4.2
160.01680	5.5
161.02451	29.5
161.04585	17.7
179.03548	8.9
194.39542	3.6
221.06636	3.8
235.04401	5.5
247.13400	10.0
289.76041	3.6
295.65253	3.8
303.76276	4.1
343.15686	4.0
553.23071	31.7
571.24060	27.1
597.45837	4.1
613.25031	28.7
655.25452	4.0
743.21014	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	743.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.3
59.01389	14.9
63.67957	1.1
66.18484	0.9
67.25250	0.9
69.23284	2.6
69.23711	3.2
71.01382	7.4
73.02949	2.2
83.01379	2.0
85.02970	12.4
86.03264	1.2
89.02444	3.8
92.15925	0.9
95.01417	1.0
96.96025	2.5
98.22688	2.0
101.02444	3.6
106.28992	1.0
109.86691	1.0
111.00877	1.1
113.02460	3.2
115.00372	1.1
119.05052	1.4
129.01944	3.2
133.01465	0.9
133.03001	2.2
134.03748	2.2
135.04501	2.9
147.03001	1.9
149.06131	1.0
160.01648	1.5
161.02458	7.4
165.01904	1.1
173.00912	1.1
175.03984	1.6
179.03482	2.6
191.01949	1.7
192.07530	0.9
193.05087	1.5
195.06583	1.2
197.04538	1.5
269.61533	1.2
271.16492	1.2
285.18588	5.5
297.18570	2.4
303.19678	10.9
314.81909	1.2
315.19537	6.1
333.20786	5.9
465.24933	3.5
477.25101	1.8
477.59296	1.0
493.23972	1.8
495.26041	100.0
496.26300	9.4
699.32379	61.1
700.32568	8.0
743.25983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75259	56.8
56.89273	54.8
57.35228	58.5
70.32675	100.0
77.18501	67.1
79.72031	60.9
98.17266	56.7
136.50000	70.2
156.59280	63.3
196.63834	62.2
197.40344	62.1
273.45212	59.2
333.02441	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43963	0.8
55.01869	2.7
57.03450	6.8
67.01878	1.4
69.36565	2.8
72.39469	0.8
78.01113	1.8
83.01401	10.7
85.02957	41.3
86.03222	0.9
89.00331	3.0
90.70190	0.7
91.01902	1.4
95.01395	3.0
97.02936	2.1
98.22655	2.1
98.57453	0.9
106.00595	2.4
108.02174	2.4
109.02950	0.9
111.00886	20.3
112.01235	1.0
117.03460	0.8
121.02958	25.9
123.00898	15.3
123.04514	2.9
127.00365	1.9
129.01956	26.1
132.02176	3.8
134.03749	21.2
135.04480	1.7
137.02461	1.9
138.03250	9.7
139.00357	1.1
149.06065	3.2
153.05602	18.1
154.99860	3.7
160.01692	17.9
161.02437	4.7
162.03198	5.7
166.99878	14.2
172.05260	1.3
173.00967	2.3
173.06113	1.4
175.02507	1.5
175.04012	24.1
176.04491	1.4
177.05556	1.5
178.02687	3.1
179.19739	0.8
182.02226	33.3
189.05624	1.4
190.06320	1.1
193.05069	16.6
197.04564	100.0
198.04901	3.9
200.04771	1.8
202.02693	1.0
202.06313	3.9
215.07111	2.2
217.05179	2.1
217.08698	3.1
218.05849	8.5
233.08192	24.4
234.08421	1.4
237.07675	1.6
243.06607	1.8
261.07666	10.4
265.07211	9.4
287.05441	1.5
305.06671	2.9
309.06250	4.1
327.07129	1.7
371.06128	2.1
381.68555	0.9
421.64810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00711	0.6
55.01881	3.3
57.03451	11.5
59.01371	1.8
65.60492	0.7
67.01905	1.3
69.66231	2.0
71.01379	1.5
73.02940	1.2
77.75122	0.6
78.01096	1.0
83.01397	10.4
83.16512	0.6
85.02957	51.2
86.03255	0.6
87.00868	1.1
89.00320	2.0
89.02431	1.1
91.01884	1.2
95.01394	1.8
96.23364	0.5
97.02958	0.7
101.02427	0.9
106.00604	2.3
108.02174	1.6
109.02952	1.1
111.00894	18.8
112.01231	0.6
121.02970	26.5
123.00893	14.7
123.04529	1.9
125.02495	0.8
127.00318	0.7
129.01956	49.5
130.02243	0.8
130.93828	0.6
132.02214	3.2
134.03754	18.2
135.04242	0.5
137.02431	3.5
138.03244	10.4
139.00360	1.0
139.03958	0.8
147.03024	3.4
149.06068	3.9
153.05585	16.6
154.99889	3.5
157.47935	0.6
160.01672	16.4
160.05241	0.8
161.02461	3.1
162.03275	3.7
166.99860	15.0
173.00948	5.9
173.06084	0.7
175.04008	18.1
176.04572	0.7
177.05479	1.0
178.02731	1.2
181.01463	0.8
182.02219	36.4
183.02507	1.4
187.03882	0.7
191.01993	1.3
191.07172	0.7
193.05080	9.6
196.03809	1.2
197.04564	100.0
198.04858	3.4
199.03998	0.7
200.04764	1.3
202.06409	2.0
208.03540	0.6
217.05029	1.0
217.08649	2.9
218.05800	5.7
222.27698	0.6
228.04233	3.7
233.04613	0.8
233.08205	12.1
234.08661	0.8
237.07733	2.0
243.06644	4.9
261.07715	6.9
262.07809	0.6
265.07166	8.2
287.05713	1.3
287.34244	0.7
305.06708	2.1
309.06195	2.2
314.40079	0.6
327.07269	3.4
371.06329	5.1
386.65817	0.7
388.66583	0.7
389.07162	2.4
390.08633	0.7
745.31519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01388	1.3
61.98830	1.6
64.34812	0.7
69.23695	4.2
71.01386	12.7
76.02195	0.8
83.47938	0.8
85.02944	5.3
89.00345	1.3
98.21918	1.5
102.40712	0.9
106.00616	0.9
111.00950	1.0
115.00396	6.3
115.74460	0.8
121.02959	26.6
122.03287	0.8
123.00880	1.4
133.01459	0.9
134.03754	0.8
136.98833	0.8
137.06070	0.8
138.03249	1.9
153.05591	21.5
166.99875	1.4
182.02222	4.2
191.02039	2.2
197.04556	100.0
198.04910	3.4
209.02936	0.7
265.35098	0.7
287.50122	0.7
313.05612	6.8
322.72995	0.7
331.01663	0.8
341.60562	0.8
346.81833	1.0
422.56024	0.9
434.19608	0.8
442.35965	0.8
502.36313	0.9
602.63971	0.9
644.41925	0.9
745.18213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.99272	0.2
85.55944	0.3
103.01505	72.8
124.73849	0.2
203.88635	0.3
446.95657	0.3
455.60126	0.3
481.15265	1.0
482.15558	0.6
540.16620	0.8
555.18781	4.3
641.22858	1.4
659.23260	0.7
701.24664	2.4
702.23975	0.3
745.23645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17436	0.4
55.01885	1.4
57.03458	2.0
58.56150	0.5
58.99316	0.4
59.01385	100.0
69.03466	1.6
71.01389	32.3
72.99333	1.5
73.02955	31.0
75.00900	1.0
81.03475	1.0
83.01396	9.7
83.05018	0.9
85.02958	15.8
87.00873	4.5
89.02454	12.1
95.01393	3.3
96.96029	1.2
97.02966	3.4
99.00874	3.5
101.02454	32.4
107.05051	3.6
109.02927	0.6
111.00849	1.1
112.01644	0.5
113.02464	22.6
119.03519	6.0
125.02462	8.1
127.03997	0.6
129.02034	0.6
131.03511	5.8
133.03011	0.7
135.08237	1.7
137.02516	0.5
141.09258	3.5
143.03510	7.4
147.08221	1.6
147.53369	0.6
149.04579	3.1
155.03540	0.9
159.03035	0.9
161.02516	1.8
161.04567	14.9
161.05867	0.9
174.59697	0.5
179.05620	10.1
203.05640	12.3
208.00752	0.5
221.06685	11.6
231.13931	11.3
232.14276	0.8
237.74863	0.5
245.06801	1.8
249.14958	3.9
263.07742	13.3
287.07944	1.1
305.08817	2.9
345.17538	0.9
411.20490	0.7
441.69992	0.6
453.21591	1.8
495.22513	0.7
541.30328	1.1
555.24390	4.6
573.25586	7.7
574.26483	0.7
597.25897	1.2
615.26581	28.8
616.27130	2.8
657.27655	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	745.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.34651	0.9
57.03436	1.6
59.01384	100.0
67.12791	1.0
67.82835	1.0
69.03476	2.0
71.01385	34.5
72.99294	1.7
73.02953	34.5
78.95889	1.0
80.10349	1.0
83.01392	13.5
83.04995	1.3
85.02963	15.8
87.00875	6.1
89.02451	10.2
90.74521	0.9
95.01390	3.8
97.02965	4.1
98.22725	2.5
99.00887	4.7
99.39817	1.1
101.02448	37.9
107.05042	8.7
111.00910	1.3
113.02460	24.1
119.03529	6.1
121.02898	1.3
121.12138	1.2
123.04518	1.0
125.02478	6.6
129.01974	2.2
131.03510	6.4
133.02937	2.0
135.08185	2.2
141.09232	9.5
143.03540	6.0
149.04552	4.7
159.02957	1.5
161.02443	2.5
161.04558	20.8
167.03516	1.5
169.95432	1.2
179.05602	9.7
196.36964	1.2
203.05612	17.0
221.06677	18.6
231.13921	22.8
245.06700	1.7
249.05923	5.0
249.14995	4.0
263.07748	20.5
286.05417	1.0
305.08786	4.3
324.07138	1.2
453.21136	1.3
555.24481	3.2
573.25879	3.9
597.25305	2.1
615.26697	24.0
616.26904	2.7
623.11572	1.0
634.44604	1.0
657.27637	10.1
658.28357	1.4
745.37616	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	745.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03456	2.1
58.00583	1.3
59.01384	100.0
60.01720	0.9
71.01388	56.6
71.40531	1.0
72.01717	0.9
72.99322	2.3
73.02956	2.5
83.01408	2.2
85.02961	16.8
87.00869	4.3
89.02452	75.7
95.01408	4.3
96.96067	0.7
101.02451	28.9
101.03109	1.5
103.86618	0.7
108.02173	1.2
109.02969	0.8
111.00938	0.6
113.02466	24.2
117.03506	1.9
118.58630	0.8
119.03513	28.6
121.03009	3.2
122.03768	0.9
125.02466	1.1
129.01985	2.2
131.03543	3.2
133.03008	2.1
134.03781	1.6
135.04556	1.5
136.01694	9.7
137.02472	1.4
143.03488	5.2
145.02972	8.0
146.03789	1.7
147.03142	0.7
147.04590	1.2
149.02538	1.0
149.04567	2.4
151.00417	2.8
151.04031	8.6
153.05637	0.7
160.01712	0.7
161.02472	6.2
161.04518	4.3
162.03244	31.0
163.03862	1.4
165.81953	0.7
166.02716	8.7
166.03793	0.7
177.05594	17.8
177.07109	1.1
178.06070	0.7
179.03577	1.0
179.05611	13.9
180.04301	1.3
181.05084	9.8
182.02325	1.8
190.06564	0.9
191.02040	0.9
193.05032	0.9
195.06653	3.7
197.04637	2.6
209.12068	1.0
317.21417	0.9
357.09656	1.1
357.12759	0.8
372.12390	1.2
387.14474	6.7
388.14780	0.8
497.27716	11.0
497.34494	1.0
498.28217	1.0
539.29126	2.7
547.19818	6.7
745.37421	2.1
764.00458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
61.98826	0.6
65.35589	0.7
69.57993	2.7
71.01391	11.1
79.70940	0.8
85.02951	2.4
94.06634	1.4
110.06124	6.5
115.00379	14.5
120.04578	1.6
120.08192	2.4
121.05307	2.2
122.06133	19.4
133.01440	4.1
134.06139	6.7
144.04590	2.7
146.06148	1.0
151.27675	0.9
152.38223	0.7
160.06422	7.0
161.04810	3.3
173.04837	0.9
174.05638	7.5
187.06253	1.0
191.02036	1.3
203.05899	3.4
203.11946	1.2
210.86140	0.8
211.08846	1.0
213.10341	30.5
214.10681	2.3
215.11873	1.6
223.08693	0.9
225.10323	1.9
226.11142	2.8
227.74986	0.7
239.11911	17.2
240.12405	1.3
241.09853	1.2
241.13478	16.1
251.11922	2.8
271.10822	1.3
275.11813	0.9
277.09833	0.8
278.10239	0.8
281.09412	1.2
283.10895	3.5
285.12463	78.4
286.12723	4.8
291.11435	1.0
293.12958	7.2
294.76331	0.7
301.11987	2.7
311.10403	1.5
313.12009	1.5
314.12894	1.1
315.13513	1.3
328.10989	1.7
328.14719	1.2
329.15652	1.1
330.16055	1.8
339.13751	0.8
340.11227	1.0
341.11667	1.1
342.12433	1.5
343.13165	5.2
344.17728	2.1
345.18591	1.8
354.16132	2.5
355.13528	1.6
356.14099	8.0
357.14676	2.1
358.15604	0.9
368.17700	3.5
369.14658	1.1
369.18619	1.1
370.11343	1.3
370.15634	13.4
371.16299	6.5
372.17145	6.7
382.11899	1.7
384.13452	1.9
384.17474	1.3
385.17969	1.5
397.14249	2.7
398.15076	13.3
399.15512	1.7
400.16412	0.7
403.15509	2.9
412.16730	9.0
413.17365	9.2
414.18298	1.0
416.16321	1.2
457.16147	1.4
466.19193	0.8
481.22269	1.4
485.25497	1.5
493.22327	4.0
511.23633	4.4
523.23682	1.9
528.40466	0.7
535.23627	10.1
536.23846	1.4
553.24628	35.3
554.24969	5.1
556.23358	2.1
557.24487	0.8
561.21515	1.1
579.22626	4.7
580.22614	0.8
585.27582	1.8
597.23584	77.7
598.23853	10.8
599.24994	1.1
611.25067	5.9
629.26208	100.0
630.26569	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	745.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
61.77080	1.3
61.98815	4.6
66.91284	1.3
69.57706	3.0
69.58080	5.0
71.01382	7.1
73.02954	5.8
75.48454	1.5
85.02972	1.8
96.95998	3.2
104.56601	1.4
110.06122	2.3
115.00402	8.0
121.05310	1.4
122.06120	6.6
133.01433	5.0
134.06134	3.2
144.04585	2.6
145.37149	1.6
159.53235	1.6
160.06343	1.4
160.15607	1.3
161.02481	3.3
166.07513	1.4
174.05568	2.1
179.03505	1.9
198.09265	3.1
203.05923	4.0
206.42046	1.5
206.44283	1.4
211.13301	2.8
213.10301	9.0
214.08897	1.6
225.06590	1.7
225.10263	2.2
226.07417	3.3
229.09775	5.6
239.11906	3.6
240.10324	1.7
241.09848	46.9
241.13519	3.5
242.10236	2.3
257.12811	1.7
283.10812	5.3
285.12479	20.9
289.97101	1.7
293.12772	2.0
293.88754	1.4
301.11990	3.2
309.20663	1.9
315.13522	100.0
316.13806	7.3
325.11990	9.0
356.14218	2.6
370.15613	3.5
371.16006	2.2
372.17096	1.6
382.11746	1.4
397.13431	2.0
398.15091	4.5
412.16696	2.8
413.17831	2.8
493.22598	2.6
511.23605	2.5
535.23486	4.3
553.24762	17.3
554.25403	1.8
597.23566	23.6
598.23431	3.5
611.24756	2.4
629.26288	23.8
630.26501	3.4
745.32153	2.5
745.54474	1.8
773.51025	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	745.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.0
57.03448	13.0
59.01384	34.5
68.99817	2.7
69.83740	4.5
69.84091	3.1
71.01392	33.1
73.02951	12.4
75.00874	2.3
78.01132	2.5
81.03447	2.7
83.01395	19.4
85.02957	66.5
86.03294	2.6
87.00876	3.9
89.02444	9.4
95.01394	7.2
97.02969	6.5
99.00891	4.7
101.02448	27.1
106.00605	3.6
108.02178	4.9
109.02950	3.3
111.00885	26.4
112.01707	2.6
113.02462	16.9
115.02680	1.8
117.03479	2.9
121.02969	30.8
123.00906	19.2
123.04531	2.2
125.02460	8.0
127.00364	3.0
129.01961	30.0
132.02173	4.2
134.03748	27.3
135.04510	1.9
137.01440	1.9
137.02486	6.1
138.03241	10.4
143.03479	4.4
145.03026	2.1
149.06134	4.5
153.05568	25.5
154.99850	4.3
158.03729	3.4
159.03110	3.3
159.04559	1.8
160.01663	23.3
161.02457	7.6
161.04588	7.7
162.03284	5.2
166.02693	2.1
166.99873	16.4
172.05431	1.9
173.00883	3.1
173.06105	2.7
174.59538	1.9
175.04008	25.8
175.24136	2.4
176.04567	1.8
178.02821	2.6
179.03549	2.0
182.02223	42.3
191.01987	2.6
193.05110	17.5
196.03760	1.8
197.04568	100.0
198.04913	4.7
202.90244	2.2
209.02866	1.9
215.07191	2.2
217.05101	2.2
217.08745	5.0
218.05855	6.5
228.04413	2.6
230.38083	2.0
233.08179	26.2
234.08440	3.0
261.07773	10.4
265.07208	11.0
305.06683	2.2
309.06213	4.3
335.20905	10.2
343.70267	2.1
479.25076	11.3
497.26184	21.4
527.79211	1.9
641.30341	38.7
642.31116	2.4
658.06561	2.2
659.31378	44.1
660.31488	3.0
701.32288	17.5
733.67938	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	747.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
63.86292	1.1
69.70124	4.7
78.95903	1.6
97.35693	1.2
98.22551	1.6
128.52710	1.1
194.48067	1.2
217.33298	1.2
288.93637	1.5
455.17325	4.1
473.18362	5.0
496.13449	2.4
512.13373	8.7
526.15155	10.7
527.15460	3.8
599.17847	1.9
601.19629	3.0
613.19238	2.4
614.20190	84.5
615.20483	15.1
646.20038	1.8
687.23267	5.2
747.25305	47.7
747.36279	2.1
748.25446	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	747.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25975	0.6
53.88522	0.5
55.01878	1.0
57.03456	1.3
59.01383	7.9
59.29373	0.6
60.80503	0.6
71.01385	7.2
71.28520	0.7
71.40510	0.7
72.99302	1.7
73.02952	3.0
74.99433	0.7
81.03444	0.7
85.02956	9.7
86.03310	0.8
87.00874	0.9
88.98766	0.6
89.02450	1.4
95.01418	0.9
99.00914	1.5
101.02442	6.6
102.26437	0.6
108.02180	61.9
109.02973	22.1
109.61320	0.6
110.12047	0.6
111.00911	2.2
113.02455	3.1
121.02946	2.8
123.00885	1.5
123.04546	1.2
125.02466	1.2
129.01929	2.1
133.02930	1.1
134.03748	2.1
135.04466	1.7
136.04739	0.7
137.02489	0.9
143.58514	0.6
151.00325	1.0
151.03967	0.7
152.01166	100.0
153.01962	10.6
153.05608	0.8
160.01686	1.1
161.02451	2.5
161.04692	0.7
162.03067	0.6
163.04005	2.7
166.99883	1.1
172.32170	0.8
175.04015	1.7
177.01942	0.8
177.03331	0.7
179.03462	1.8
182.02206	2.0
183.02562	1.2
185.11971	0.7
191.01892	0.8
193.05032	1.3
197.04567	6.7
198.04962	2.8
199.05086	1.3
218.05818	0.7
233.08200	1.7
241.07149	1.1
247.04694	0.6
261.07681	0.8
285.06232	2.1
347.17004	3.3
399.09320	10.5
400.09451	0.7
417.10458	4.0
458.26718	0.7
747.27216	99.8
748.27515	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	747.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69240	2.6
59.85316	2.4
70.47348	6.1
70.62323	2.7
71.01386	27.5
101.04767	2.5
110.06142	8.1
115.00381	36.5
120.08201	16.5
121.05347	4.3
122.06123	57.0
123.06432	3.9
133.01465	6.5
164.07175	2.8
174.05577	8.5
236.09457	5.6
237.10339	7.6
239.11934	3.7
241.13547	3.7
249.13907	3.7
250.11047	5.7
251.11891	34.6
252.12575	4.4
263.08188	4.6
264.09106	5.6
265.13580	4.8
276.09085	2.8
277.09814	14.4
278.10550	8.2
279.11435	6.8
283.10822	4.2
283.72922	3.1
291.11423	20.9
292.12183	24.6
293.12924	22.5
295.10834	4.0
324.11365	3.7
335.10330	5.1
335.18686	2.8
336.11185	6.9
337.11926	5.8
358.15372	3.1
360.17084	6.3
372.17105	16.7
373.17700	8.7
374.18668	6.6
390.18228	11.9
402.18362	4.2
406.17789	6.4
414.18277	15.1
418.17517	10.8
432.19138	10.3
436.18872	8.3
459.17813	4.9
476.17981	13.6
477.19006	4.7
490.19345	4.4
495.24323	4.1
508.20850	28.2
509.21243	7.4
513.25079	7.0
555.26459	13.9
581.24072	6.6
599.25153	48.9
600.25513	8.2
613.26636	15.0
614.26929	4.2
631.27734	100.0
632.28253	16.2
703.35675	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	747.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91135	0.8
53.75679	0.8
57.03439	1.6
59.01386	12.6
69.12935	4.8
71.00803	0.8
71.01391	8.6
71.15676	0.9
73.02959	4.2
83.01389	1.3
85.02961	4.2
89.02441	2.7
95.01399	1.1
95.05058	1.2
98.21873	1.8
101.02474	4.0
103.60854	0.7
107.03745	1.1
110.06106	3.8
113.02451	5.1
115.00383	2.7
119.03477	1.5
120.08198	13.3
121.05357	1.0
122.06134	24.7
124.01632	0.9
126.40546	0.8
132.15176	0.9
133.01416	1.0
134.06166	0.9
136.07704	1.0
144.04539	1.8
160.46765	0.8
163.89116	0.9
164.06987	1.0
174.05641	2.6
197.04344	0.8
203.05898	2.5
204.06619	0.9
222.07954	1.3
223.08746	1.7
225.14081	1.0
236.09573	2.9
237.10303	3.1
238.11067	0.8
239.11819	1.5
247.12712	0.8
249.10263	1.0
249.14037	1.4
249.66216	0.9
250.11136	2.4
251.11909	14.6
252.12485	2.3
262.10806	0.7
263.08185	1.7
263.11853	2.0
264.09018	2.4
265.09802	2.2
265.13443	4.9
269.09232	0.8
276.08987	1.4
277.09824	7.1
278.10608	12.5
279.11243	1.8
282.09845	0.9
283.10956	1.6
285.12375	1.2
291.11404	8.2
292.12186	11.9
293.12970	19.4
294.13385	1.2
295.10916	1.1
296.11642	1.0
301.21735	3.0
313.12091	1.1
319.22821	12.3
324.11340	1.6
325.11804	1.1
325.15521	2.1
335.10367	3.3
336.11383	4.2
337.11960	10.0
337.23642	2.0
344.13998	1.2
345.14737	1.0
346.15390	0.9
359.16574	1.0
360.17276	2.2
362.18765	1.7
369.14972	1.4
370.19638	1.0
372.17154	4.5
373.17966	1.5
374.18668	3.3
390.18204	1.7
400.16983	1.5
402.18271	1.9
403.19019	0.9
405.16641	1.0
406.17731	2.2
414.18420	5.3
415.18823	1.9
418.17688	6.0
432.19077	2.5
433.19632	1.1
436.18842	2.8
458.17123	1.5
459.18320	2.0
476.18411	4.3
477.18750	2.7
481.28110	9.5
499.29141	22.0
508.20963	8.9
509.21817	3.7
513.25085	1.8
537.24927	1.9
541.30212	78.4
542.30469	3.6
555.25909	2.6
581.24341	1.5
599.25146	14.5
600.25745	1.9
613.26477	2.2
631.27789	100.0
632.27997	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	747.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36136	1.1
58.78189	1.3
59.01375	2.0
60.59792	1.4
60.97664	1.1
66.37283	1.2
70.49024	2.1
71.01388	31.2
73.94842	1.4
79.14405	1.1
94.06652	1.5
95.05026	1.9
105.05856	1.9
107.03776	4.5
110.06155	6.5
113.10815	1.6
115.00383	36.3
120.07400	2.3
120.08203	30.9
121.05373	2.2
122.06133	57.4
123.06491	2.1
123.44889	1.3
124.07658	1.2
133.01434	8.1
134.06145	2.2
136.07690	2.3
144.04562	5.4
161.04886	1.6
162.05582	2.2
164.07124	2.7
164.60710	1.3
173.04871	1.8
174.05571	5.8
185.53188	1.2
203.05940	6.4
204.06551	2.1
215.11992	1.6
223.08740	2.0
233.06749	1.5
236.09549	5.5
237.10344	5.1
238.11035	1.6
239.11819	2.3
241.13503	3.8
249.10416	3.4
249.14055	1.9
250.11067	6.0
251.11897	23.4
252.12688	2.7
262.11105	1.4
263.08252	4.4
263.11908	6.6
264.09048	5.5
264.12579	3.7
265.09723	4.2
265.13428	5.1
266.10712	2.4
267.11389	1.9
276.09070	5.3
277.09839	29.5
278.10608	8.5
279.11380	5.8
280.12097	1.4
281.09445	2.0
282.10095	1.5
283.10883	2.7
285.12466	2.1
290.10913	1.7
291.11441	34.6
292.12170	42.9
293.12967	29.3
294.13593	3.0
296.11862	1.5
301.15289	1.3
313.12012	1.8
315.34763	1.4
319.10852	1.5
324.11163	3.1
325.12003	2.6
328.95929	1.3
330.12329	1.9
335.10345	11.4
336.11191	14.0
337.11780	6.9
343.12939	2.3
346.15543	1.4
360.17090	5.0
370.19370	1.7
372.13300	1.6
372.17300	10.3
373.17969	5.5
374.18787	3.5
386.14850	2.8
387.15967	1.4
390.18372	3.0
399.15921	1.4
400.16687	5.2
402.18323	2.9
403.18076	1.6
406.17740	2.3
414.18350	13.9
415.18829	5.8
418.17776	6.8
432.19440	11.0
433.20480	1.5
436.18802	2.3
447.18552	1.4
458.17273	6.1
459.17773	4.7
476.18353	25.8
477.19028	8.6
478.19702	4.0
485.83539	1.5
490.19806	10.4
508.20886	73.0
509.21140	11.3
513.25275	2.1
525.25287	2.8
537.25146	11.4
555.26251	15.6
556.26434	2.1
581.24054	15.1
582.23682	2.3
599.25165	80.6
600.25403	12.0
601.26556	3.2
613.26593	17.1
631.27765	100.0
632.28070	14.9
760.41345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.1
61.98833	13.9
71.01389	14.4
85.02959	5.2
89.02438	3.3
96.96012	2.5
101.02444	2.3
105.52269	2.2
110.06113	5.6
113.58540	2.3
115.00378	13.4
117.03503	2.8
120.08168	4.6
122.06136	14.2
133.01416	8.5
135.04582	3.9
136.07678	4.7
137.49287	2.3
145.02934	3.8
174.05603	9.5
185.48419	2.1
203.05867	2.2
215.11829	2.8
239.11862	3.4
241.13510	7.5
243.14944	3.9
251.11812	2.5
279.11426	3.1
282.09906	3.5
283.02344	3.3
283.10733	3.8
287.13968	8.4
292.12082	3.4
293.12823	3.4
312.11066	5.3
337.23904	12.6
372.17395	5.0
373.17709	3.9
384.13925	2.3
393.02246	2.3
400.16599	6.2
414.18201	7.8
415.18756	4.9
416.07394	3.5
499.29163	100.0
500.29324	4.0
508.21024	3.7
513.25104	4.9
537.24860	4.2
555.26233	13.6
558.24341	2.6
581.24060	4.7
599.25226	27.3
613.26666	4.5
631.27808	62.9
632.28326	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	747.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
69.21870	1.8
69.22283	0.7
71.01376	2.6
73.02951	0.7
84.95113	1.7
85.00436	1.3
85.02940	0.9
89.02428	0.5
94.06625	0.7
96.96018	0.8
97.45905	0.5
101.02444	0.5
102.85875	0.6
107.03749	1.2
110.06140	3.8
114.99690	0.5
115.00382	3.0
119.07619	0.5
120.08204	12.0
121.05341	0.7
122.06137	24.5
133.01430	2.0
134.06148	0.8
136.07706	0.8
144.04578	1.7
160.04005	0.5
161.04817	0.6
162.05644	0.6
164.07123	0.7
170.55559	0.5
171.81679	0.5
173.04828	0.7
174.05656	2.5
179.15262	0.5
199.08704	0.5
203.05843	1.6
204.06746	0.8
210.34000	0.5
212.02870	0.5
223.08751	1.1
223.12508	0.5
225.13969	1.4
236.09579	3.4
237.10384	3.3
238.11055	1.1
239.08295	0.7
239.11870	1.1
241.13466	1.2
243.14972	0.8
249.10350	1.2
249.13977	1.3
250.11177	3.1
251.11909	14.8
252.12582	2.1
253.09715	0.8
253.13420	0.5
263.08029	1.1
263.11945	1.9
264.09015	2.1
264.12564	0.8
265.09747	1.8
265.13449	4.0
266.10690	1.1
269.09229	0.6
276.09100	1.2
277.09814	8.0
278.10593	12.4
279.11224	1.8
281.09369	1.2
282.09943	0.9
283.10876	1.3
285.12442	0.8
287.14124	0.7
291.11383	8.2
292.12219	10.6
293.12964	19.4
294.13477	1.9
295.10919	0.8
295.14410	0.5
296.11609	0.8
319.10925	1.9
319.22882	0.8
324.11206	1.1
324.14700	0.5
325.12094	0.8
325.15457	2.6
335.10236	2.8
336.11075	3.4
337.11902	8.7
337.23926	0.6
338.12369	0.6
343.13107	0.7
344.13669	0.8
345.14685	0.7
360.17163	2.0
369.14499	1.2
370.19315	0.6
372.17200	5.2
373.17719	1.0
374.18866	2.6
390.18201	2.2
400.16858	0.7
402.18274	1.6
404.16000	1.3
405.16821	0.8
406.17673	1.5
414.18134	4.6
415.18839	2.3
418.17725	5.8
419.17734	0.5
432.19461	3.3
433.20041	0.7
436.19077	2.9
446.16733	0.5
458.17618	0.9
459.17950	1.7
474.25488	0.5
476.18262	3.9
477.18954	3.1
478.19885	1.1
490.19998	1.6
499.29242	6.4
500.29462	0.6
508.20926	9.9
509.21558	6.0
513.25372	1.4
537.24799	1.5
541.30145	3.7
555.26318	3.6
558.24384	0.6
577.80408	0.7
581.23627	2.4
599.25153	11.8
600.25500	1.3
601.26147	0.7
613.26593	3.4
631.27771	100.0
632.28064	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	747.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88393	0.5
59.01382	7.6
70.35703	0.5
71.01378	2.3
73.02946	0.9
82.80954	0.5
85.02948	0.9
91.07975	0.7
98.22738	0.9
101.02454	1.3
110.06120	2.2
115.00365	1.4
120.08206	4.7
121.05353	0.7
122.06133	9.9
133.01460	0.8
166.08989	0.6
172.68971	0.6
205.12242	0.8
205.55028	0.6
210.34082	0.7
225.14021	0.9
236.09465	0.8
237.10464	1.4
250.10912	1.2
251.11922	6.5
252.12572	0.8
265.09891	1.0
265.13370	1.6
277.09818	3.3
278.10648	4.9
279.11145	0.9
291.11404	3.8
292.12119	5.0
293.12976	9.1
294.13437	0.9
301.21802	0.8
319.22794	22.7
320.23080	1.3
325.15506	1.3
335.10526	1.3
336.11194	1.8
337.11804	3.3
337.23892	7.9
342.11932	0.7
360.17197	1.8
370.19196	0.9
372.17209	2.1
373.17770	0.9
374.18665	1.3
379.35730	0.7
390.18442	1.2
402.18219	0.8
406.17596	0.9
414.18286	1.4
418.17712	3.2
432.19345	1.4
433.20239	0.6
436.18936	1.1
458.17307	0.9
459.17932	1.0
466.20547	0.7
476.18399	1.7
477.19131	1.1
481.28156	5.1
499.29214	13.4
500.29785	1.0
508.20807	2.8
509.21335	3.1
537.25153	0.7
541.30225	100.0
542.30676	11.9
555.26038	0.8
583.31354	1.3
599.24854	3.7
613.26831	1.3
631.27826	36.1
632.27972	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	747.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.78239	0.3
59.01386	18.4
65.32353	0.3
71.01387	7.7
73.02953	1.3
83.01384	1.1
84.39155	0.3
85.02945	2.0
86.03257	0.3
87.00903	0.5
89.02454	7.1
92.96120	0.3
95.01389	0.7
101.02456	5.2
113.02457	3.9
119.03522	2.2
131.03465	0.4
133.02963	0.4
157.76305	0.3
161.02434	0.5
161.04608	0.5
179.05638	0.5
235.04337	1.1
251.16589	0.5
259.20618	0.5
278.47427	0.3
301.21735	1.4
306.17502	0.3
319.22775	7.8
321.24362	1.4
337.23923	0.9
434.05392	0.4
481.28479	0.5
499.29172	100.0
500.29507	9.1
524.58026	0.4
541.30237	2.3
714.26447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.9
71.01390	7.7
73.02950	10.1
83.01392	1.7
85.02943	1.9
86.48151	0.7
87.00842	0.7
89.02438	2.7
89.39081	0.6
98.21821	1.4
99.70412	0.7
101.02451	6.5
107.50415	0.6
110.06120	1.9
113.02462	2.2
120.08229	3.5
120.52580	0.8
122.06146	9.6
125.02502	0.9
130.43988	0.7
133.01440	0.7
184.13393	0.7
236.09727	0.8
250.11140	1.4
251.11842	5.8
263.08240	0.8
264.08945	1.2
265.13388	1.3
277.01105	0.8
277.09824	3.0
278.10593	4.7
279.10989	0.9
291.11349	2.6
292.12177	3.9
293.13010	7.0
294.13544	1.0
301.21707	2.0
319.22806	10.0
321.24292	1.3
325.15610	1.0
337.11771	3.7
337.23795	1.3
360.16946	1.0
372.17169	1.1
373.18042	1.0
414.18317	1.1
415.18964	0.8
432.19174	1.2
476.18182	1.4
477.19324	1.0
481.28180	2.7
499.29120	12.8
500.29343	1.3
508.20764	3.3
509.21582	1.8
541.30212	100.0
542.30493	10.8
555.26123	1.7
598.00952	0.9
599.25323	4.6
600.25537	1.4
607.82159	1.0
631.27783	32.5
632.28418	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	749.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
57.03453	11.8
59.01387	4.5
66.33735	0.7
67.01902	2.1
68.99821	0.8
71.01389	3.1
71.04674	0.9
72.99315	2.4
78.01127	1.9
83.00930	1.3
83.01398	16.9
84.02156	1.2
85.02956	81.3
86.03300	1.0
89.00359	2.9
91.01875	1.4
93.03481	0.9
95.01401	3.0
96.96010	1.0
97.02944	0.8
101.02488	1.3
106.00611	3.0
109.02992	0.8
111.00890	29.9
111.74062	0.7
113.02465	2.9
121.02966	41.8
123.00898	18.0
123.04534	1.7
124.01649	0.8
124.98857	0.8
125.02452	1.0
127.00380	2.8
129.01952	48.7
130.02275	0.9
132.02188	0.7
133.02946	3.7
135.04549	4.9
136.98816	2.4
137.02406	3.7
137.54167	0.8
137.61218	0.8
137.99634	0.9
138.03239	20.7
139.00389	15.5
139.04010	1.5
142.99918	1.0
147.03027	2.5
151.04108	1.2
153.01930	1.6
153.05586	32.9
154.02777	1.0
154.99863	3.8
160.01624	4.0
161.02464	8.7
162.03264	0.7
163.04077	1.9
166.02716	5.3
166.99879	11.4
173.00935	5.1
175.03984	3.0
178.02708	1.4
179.03496	8.3
179.05043	0.9
179.05620	0.6
182.00601	1.6
182.02214	27.2
189.01917	1.7
191.01985	1.6
191.03552	1.9
193.05070	2.2
194.05820	1.8
196.03719	4.0
197.04564	100.0
198.04982	2.9
207.02980	3.5
217.01439	1.6
219.06544	2.6
221.08231	1.6
222.05348	10.8
232.03717	1.2
235.02472	1.2
237.07687	32.0
238.07994	1.0
250.04820	3.5
251.05608	0.9
263.05496	1.4
265.07184	62.9
266.07526	2.5
281.07004	1.0
291.05255	1.7
309.06192	13.7
327.07211	4.7
351.37393	0.8
353.05167	6.7
371.06055	3.8
507.11108	1.1
562.84991	0.9
569.11548	1.4
637.21295	2.2
742.06067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90499	0.4
59.01393	2.0
69.03450	0.5
71.01391	5.4
71.39171	0.4
72.99310	2.0
81.03443	1.0
83.05032	19.8
85.02958	5.0
95.05038	1.4
97.02957	2.4
99.00890	43.6
100.01248	0.7
101.02470	0.7
113.02471	2.2
121.02908	0.8
123.04482	0.4
125.01022	0.7
125.02461	6.5
127.04050	1.9
139.04059	4.0
139.53006	0.4
141.00479	2.3
141.01724	2.0
143.03557	0.5
151.03790	0.5
153.00508	0.7
157.05086	2.5
161.02220	2.2
165.05627	0.6
179.03291	6.6
180.03734	0.4
180.99924	4.3
183.01488	0.4
187.03831	1.0
189.04114	0.8
195.01448	0.6
201.02632	0.5
201.07758	0.5
205.04871	17.9
205.06776	0.9
209.04305	0.5
223.00925	1.3
223.06065	3.8
239.05421	0.9
247.04645	1.4
265.05707	4.3
266.05875	0.6
283.03015	2.8
309.05975	1.4
341.08279	0.6
385.10767	100.0
386.10556	8.3
462.04117	0.5
578.04315	0.4
705.36438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57000	0.6
59.01388	6.9
61.98841	1.0
64.55225	0.6
69.27592	2.9
69.27998	1.0
71.01392	5.6
73.02941	4.4
80.62215	0.5
82.17990	0.5
85.02962	1.9
89.02442	2.9
89.03974	0.8
91.05548	1.1
98.21903	1.2
99.00895	11.7
101.02451	1.6
101.49026	0.6
107.05036	3.2
109.15801	0.6
110.06034	0.6
113.02464	1.6
115.00392	1.6
117.03477	1.4
117.31051	0.7
120.08218	1.4
122.06151	2.3
131.03549	0.8
132.02240	1.2
133.01466	0.6
133.02975	17.7
134.03783	9.3
135.04544	100.0
136.04884	1.7
143.03502	1.3
149.04622	0.7
161.02461	44.4
162.02837	1.4
177.05701	0.7
178.38878	0.6
179.03516	55.3
180.03925	2.1
207.06587	0.8
244.13031	0.6
251.05641	6.0
251.11870	1.0
252.12323	1.0
278.10208	0.8
291.11368	1.3
292.11987	1.9
293.06671	6.1
293.12726	1.9
294.13281	0.9
311.07739	27.0
312.08014	0.7
353.08795	35.4
354.09280	1.9
358.92444	0.7
395.09882	1.9
419.09225	0.8
437.10953	1.0
455.11877	1.3
479.19577	0.7
497.05685	1.1
497.13049	18.5
498.13388	1.3
508.20642	0.9
509.21484	1.2
510.21643	1.9
515.14362	2.3
600.25372	0.8
601.25818	2.6
631.28223	1.7
632.28082	1.1
633.28247	3.8
705.27747	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	749.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89679	0.5
57.03461	1.2
59.01384	8.0
69.03462	0.5
71.01392	3.5
72.94707	0.4
73.02962	1.5
85.02965	1.6
85.75107	0.5
89.02470	0.8
91.05553	0.8
92.21716	0.4
99.00863	2.4
101.02469	0.9
105.03521	0.5
107.05027	3.4
113.02470	1.7
117.03489	1.6
133.02972	17.9
134.03766	10.5
135.04535	100.0
136.04858	3.5
161.02458	39.5
162.02792	1.7
175.03986	0.8
179.03506	62.0
180.03835	1.5
192.11494	0.6
207.13948	2.4
302.65927	0.4
311.07663	1.1
353.08783	1.2
358.52765	0.5
449.28036	0.5
543.24670	0.8
663.26434	3.0
705.27673	42.1
706.28040	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	749.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93475	3.5
58.87843	4.1
59.01382	43.9
59.54846	4.2
61.68359	4.0
67.80801	4.4
69.39343	3.9
71.01389	14.1
71.17401	6.4
73.57065	3.6
79.89329	3.5
81.47577	4.1
83.01408	5.6
83.70261	3.6
85.02951	6.3
87.89736	5.0
89.02461	12.7
101.02471	6.9
113.02466	4.4
114.17644	4.0
115.00403	5.6
133.01459	12.1
194.68828	3.7
207.10298	6.5
223.06271	5.3
253.50473	4.0
280.41165	4.7
387.16599	100.0
671.75159	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	750.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61117	0.8
59.01372	1.9
66.18748	0.7
69.03453	0.8
69.11506	0.8
71.01388	40.2
71.40417	0.9
72.99300	1.4
77.14188	0.8
85.02959	1.9
87.00859	0.7
89.02437	1.0
101.02419	1.0
108.02167	1.4
113.02453	1.6
113.76145	0.8
115.00380	12.6
133.02946	3.5
134.03758	1.1
135.04512	3.0
139.11313	1.4
152.01138	1.9
161.02455	5.9
179.03494	3.7
185.11845	100.0
186.12155	3.6
301.12939	26.5
302.13168	1.3
349.58878	0.8
449.38901	1.0
623.19739	1.1
750.28888	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	751.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
69.35323	2.3
71.01384	4.6
73.02957	2.4
81.03480	0.5
83.89388	0.4
85.02959	1.4
89.02448	2.9
89.03973	0.7
91.05559	0.5
97.02982	0.5
99.00896	9.4
101.02444	1.0
106.04279	0.5
107.05060	2.4
113.02483	1.7
115.00350	0.5
117.03465	1.7
117.40564	0.4
131.03546	0.6
132.02159	0.8
133.02969	16.8
134.03763	9.3
135.04536	100.0
136.04852	2.4
142.68398	0.4
149.02519	0.6
155.98557	0.4
161.02458	42.9
162.02760	0.7
166.00031	0.4
179.03510	58.1
180.03831	1.9
191.05640	0.9
207.47845	0.5
233.81621	0.4
647.26624	0.6
665.28387	1.6
686.05396	0.5
707.29211	49.8
708.28510	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	751.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46523	0.8
53.76118	0.9
59.01382	8.6
61.65330	1.0
64.89159	0.9
70.06906	2.1
70.07272	2.0
71.01389	4.3
71.60390	1.0
77.99568	0.8
85.02954	1.2
89.02429	1.2
89.03942	1.2
99.00887	5.4
101.02431	2.1
107.05026	2.0
113.02454	2.5
117.03497	1.1
123.04518	0.9
132.02214	1.2
133.02968	17.8
134.03773	8.0
135.04541	100.0
135.47768	0.9
136.04858	2.7
137.75774	0.9
138.31522	1.1
160.95674	0.9
161.02461	46.9
162.02902	1.3
179.03505	56.9
180.03920	1.5
224.51378	1.1
390.95694	1.0
707.29230	50.1
708.29297	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	751.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01377	7.7
59.22836	0.5
61.98828	1.8
62.52201	0.6
69.70849	2.2
71.01391	4.7
73.02946	2.7
76.50546	0.6
83.01408	1.0
85.02966	2.2
87.08788	0.6
89.02468	1.9
97.82946	0.6
98.21965	0.9
99.00887	4.2
101.02461	2.0
107.05037	2.9
113.02466	2.7
117.03490	1.1
121.02961	1.0
133.01448	0.7
133.02979	17.4
134.03773	7.7
135.04541	100.0
136.04897	2.3
149.02464	3.2
149.04657	0.8
155.10811	0.7
161.02458	43.1
162.02814	1.4
164.04811	3.0
179.03514	55.8
180.03848	1.7
185.45869	0.7
190.02647	0.7
205.05104	0.6
223.06123	7.6
260.65094	0.8
299.84232	0.6
303.82156	0.6
314.03787	0.7
478.51407	0.7
545.26367	0.8
647.26904	0.8
665.28058	2.9
707.29248	50.8
708.29877	4.7
751.31464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64999	1.0
55.01878	3.0
57.03444	3.5
59.01385	100.0
60.01725	1.0
61.68019	0.9
61.98815	1.0
71.01389	41.5
72.99332	1.5
73.02957	12.9
83.01395	7.1
83.30443	1.1
85.02955	22.6
87.00883	4.8
87.04510	2.2
89.02444	15.3
94.88895	1.0
95.01376	6.0
97.02972	3.0
98.21841	2.8
99.00893	4.5
101.02450	23.8
111.00949	2.7
113.02460	30.2
115.00412	1.3
119.03505	5.4
121.02943	1.2
124.01677	2.2
125.02475	8.3
129.01997	1.6
131.03510	1.0
132.02193	1.0
133.02968	8.2
134.03716	2.0
135.04558	10.0
143.03528	5.5
144.97334	1.0
149.02458	3.4
150.03203	1.0
159.03075	1.5
161.02470	18.5
161.04521	7.1
162.02791	1.2
163.04010	1.1
179.03537	8.1
182.44835	1.1
185.81099	1.0
223.06229	1.4
257.84082	1.1
329.01151	1.0
381.22946	1.3
399.23959	7.5
417.25000	4.4
469.13327	1.3
525.27106	1.7
543.28137	34.6
544.28711	3.3
561.29193	67.5
562.29443	6.8
579.30286	19.9
579.38806	2.1
580.30499	2.4
603.30145	15.8
604.30707	1.6
621.31372	27.0
622.31860	2.2
623.20459	1.1
663.32483	1.9
755.23383	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	751.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01382	5.1
61.98831	0.9
71.01387	2.8
71.42145	0.3
72.99328	0.4
73.02948	1.3
77.99175	0.3
79.16340	0.3
83.01412	0.4
85.02950	1.4
89.02460	1.6
93.03473	0.8
96.96030	0.3
99.00885	2.4
101.02449	1.1
104.02686	0.4
113.02463	1.6
115.00358	0.3
117.03482	0.8
119.01413	0.8
119.05020	0.5
121.02963	9.1
131.03505	0.8
132.02182	1.3
133.02969	0.6
133.55423	0.3
135.04538	1.1
147.00952	0.3
147.04526	2.6
149.02455	52.8
150.02829	1.5
152.57086	0.3
155.03586	0.3
160.01593	0.3
161.02470	0.9
163.04021	0.6
164.04807	45.8
165.05139	1.1
175.00391	3.3
175.03972	0.6
179.03537	0.7
179.07147	4.0
180.03825	0.3
190.02731	8.2
191.03087	0.6
191.05717	0.3
193.01428	0.4
193.05045	0.2
203.05568	0.6
205.05061	9.7
206.05383	0.5
208.03802	1.4
211.26317	0.3
223.06128	100.0
224.06473	3.6
225.40216	0.3
545.26105	0.7
751.32202	4.0
752.32385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01382	5.1
61.98831	0.9
71.01387	2.8
71.42145	0.3
72.99328	0.4
73.02948	1.3
77.99175	0.3
79.16340	0.3
83.01412	0.4
85.02950	1.4
89.02460	1.6
93.03473	0.8
96.96030	0.3
99.00885	2.4
101.02449	1.1
104.02686	0.4
113.02463	1.6
115.00358	0.3
117.03482	0.8
119.01413	0.8
119.05020	0.5
121.02963	9.1
131.03505	0.8
132.02182	1.3
133.02969	0.6
133.55423	0.3
135.04538	1.1
147.00952	0.3
147.04526	2.6
149.02455	52.8
150.02829	1.5
152.57086	0.3
155.03586	0.3
160.01593	0.3
161.02470	0.9
163.04021	0.6
164.04807	45.8
165.05139	1.1
175.00391	3.3
175.03972	0.6
179.03537	0.7
179.07147	4.0
180.03825	0.3
190.02731	8.2
191.03087	0.6
191.05717	0.3
193.01428	0.4
193.05045	0.2
203.05568	0.6
205.05061	9.7
206.05383	0.5
208.03802	1.4
211.26317	0.3
223.06128	100.0
224.06473	3.6
225.40216	0.3
545.26105	0.7
751.32202	4.0
752.32385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
56.55513	0.2
57.03456	0.6
59.01384	100.0
60.01709	0.4
61.98839	0.6
71.01389	9.4
73.02956	4.4
80.49593	0.2
83.01386	1.6
85.02958	5.8
87.00894	0.5
89.02454	0.9
93.48767	0.3
95.01407	1.0
97.02964	0.4
99.00881	2.1
101.02449	7.1
113.02464	3.9
121.02994	0.3
127.11337	0.5
133.02946	1.5
134.03801	0.5
135.04538	7.8
143.03525	0.3
149.02469	2.5
159.03000	0.8
161.02470	3.5
161.04547	3.1
164.04802	2.0
179.03516	4.3
190.02802	0.5
223.06122	3.8
253.82622	0.2
289.16565	10.3
331.17618	3.2
436.19272	0.3
701.09015	0.3
707.29205	4.0
708.29651	0.6
751.32434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92143	0.2
59.01393	1.7
61.98826	0.9
69.48893	0.9
71.01366	1.0
72.24744	0.2
72.99312	4.2
73.02959	0.3
73.99661	0.4
74.36942	0.2
75.00879	100.0
76.01202	0.6
85.02952	0.3
87.00909	0.3
89.02454	1.3
91.04337	0.2
92.46616	0.2
97.02974	0.2
99.37920	0.2
101.02438	1.0
113.02493	0.5
119.03539	0.3
125.02397	0.4
161.04584	0.4
179.05736	0.4
223.13470	0.3
235.08279	0.7
253.09384	0.3
277.21741	3.4
305.08865	0.4
397.13498	6.3
398.14114	0.5
403.94958	0.2
415.14618	2.6
493.01221	0.2
734.53058	0.3
751.39423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21670	0.2
59.01387	1.9
61.07939	0.2
61.98851	0.4
69.29626	0.2
69.46921	0.9
71.01389	1.1
72.99311	3.3
73.02969	0.2
73.99674	0.3
74.43761	0.2
75.00877	100.0
76.01223	0.5
77.71538	0.3
77.75988	0.2
87.00932	0.3
89.02458	0.7
91.29527	0.2
91.75790	0.2
96.13681	0.2
101.02454	0.7
113.02439	0.5
119.03531	0.5
125.02463	0.5
161.04546	0.2
173.10016	0.2
235.08287	0.6
248.47513	0.3
259.97430	0.2
277.21759	3.3
305.08865	0.4
397.13495	6.0
398.13992	0.5
415.14490	2.0
591.33673	0.3
594.89124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	45.9
71.01395	27.9
73.02936	4.7
85.02948	4.3
87.00881	6.2
89.02448	24.7
97.02958	6.6
98.21878	5.6
99.00962	3.8
101.02455	19.7
113.02452	10.1
119.03486	5.7
125.02471	8.3
128.47508	3.3
155.80518	3.1
161.04622	4.2
224.00288	2.7
235.08278	9.1
277.21753	2.9
293.24905	96.5
294.25162	7.2
323.09949	3.2
348.50098	3.3
361.05075	3.6
397.13535	100.0
415.14532	34.8
691.39105	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	751.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.5
61.98842	4.6
66.03503	1.5
66.11659	0.8
71.02504	0.9
71.62299	0.7
73.04079	5.1
82.06619	2.1
82.95387	0.8
85.04077	0.8
87.05655	3.3
88.04057	2.4
98.02490	16.4
99.01993	4.7
109.04083	2.6
113.03582	1.9
113.07220	20.9
114.05587	4.0
115.08784	3.8
116.05053	2.1
118.06638	1.8
123.05687	0.9
124.07696	1.1
125.03548	1.4
125.07212	3.5
125.10863	0.9
126.06776	1.4
127.05155	1.0
129.10342	4.2
137.07294	0.9
139.08789	2.3
141.06718	1.1
141.10329	1.5
146.06175	2.4
151.08774	4.4
152.07216	1.4
152.08321	4.1
153.06703	7.9
155.08282	4.9
156.08209	1.1
163.08774	1.3
167.08240	6.3
168.11391	2.3
169.09818	2.3
170.09364	44.9
172.07701	1.3
173.09465	1.0
173.10812	1.7
181.13390	4.4
183.15027	1.7
184.10922	4.1
186.12520	3.7
193.13470	2.8
200.07179	4.7
208.09541	0.8
208.14546	2.2
209.12976	7.0
210.16109	1.4
217.09792	4.8
221.16545	1.4
223.12073	5.3
226.15628	40.7
227.15919	1.8
238.19276	0.9
241.13037	5.8
259.14645	0.8
264.17593	0.8
264.20691	1.9
279.18256	1.5
280.20334	1.8
307.21399	9.4
325.22400	3.9
327.18393	1.7
335.24603	2.9
371.16986	0.9
378.25320	1.7
379.23456	0.9
388.19910	1.6
396.26157	5.5
409.22464	1.1
427.23505	1.0
507.29529	3.0
532.32654	0.9
550.33649	42.4
551.33936	3.0
556.29034	2.9
564.35223	1.3
580.32788	1.1
583.32855	2.2
597.33972	1.8
598.33777	19.8
599.34479	1.9
630.31757	0.8
640.36481	0.9
652.38818	1.3
707.42297	1.3
751.41553	100.0
752.41846	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	752.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
61.33119	3.0
61.98843	4.2
70.97098	4.9
82.95425	15.3
84.00914	11.7
84.95141	7.3
85.00433	11.1
107.51622	3.3
167.39781	3.8
176.17685	3.3
245.13145	3.6
277.21744	5.6
319.22821	100.0
320.23077	3.9
393.17670	3.4
503.84766	3.5
667.41699	3.9
691.41620	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	753.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01389	4.1
71.01379	5.7
85.02958	5.3
89.02433	2.4
95.01400	1.9
98.21851	1.3
101.02429	0.8
105.03477	0.7
113.02454	11.7
117.03493	0.7
123.04549	1.4
132.02190	2.1
133.02974	33.0
134.03342	0.6
135.04536	17.1
136.04843	0.6
151.04031	0.8
153.05612	1.1
161.02460	100.0
162.02789	3.8
179.03514	10.6
223.61462	0.5
223.63426	0.5
315.10886	1.0
344.20169	0.5
429.31952	0.5
461.16702	6.8
623.19849	73.9
624.20428	5.6
753.23029	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	753.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83311	0.4
59.01381	3.9
67.74367	0.4
71.01390	5.3
73.02971	0.6
85.02955	5.9
89.02460	2.1
94.44251	0.5
95.01395	2.1
101.02457	1.2
105.03475	0.9
113.02461	12.3
123.04568	1.0
125.02398	0.5
132.02188	2.0
133.02971	33.8
134.03813	0.7
135.03516	0.9
135.04532	13.9
153.05562	0.9
161.02463	100.0
162.02782	3.1
179.03528	3.1
259.34583	0.5
297.09872	0.5
315.10919	0.8
460.76920	0.5
461.16449	4.4
502.34180	0.5
503.32529	0.5
623.19867	58.6
624.20331	3.9
625.06305	0.6
714.61365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.8
69.26280	1.3
69.26691	2.9
71.01390	4.7
85.02947	4.6
89.02438	1.7
95.01397	1.2
105.03510	1.9
107.05062	2.4
108.02171	0.9
113.02457	8.0
117.03431	1.1
122.03728	1.2
123.04540	10.3
131.03519	2.5
132.02153	3.0
133.02971	35.7
134.03818	4.9
135.04539	100.0
136.04877	3.5
149.02461	1.2
150.03264	7.4
151.04030	17.1
161.02463	82.1
162.02788	4.0
164.59593	0.8
171.58231	0.9
179.03513	98.3
180.03851	3.5
191.05530	1.1
228.41614	0.8
233.04523	0.9
233.06830	1.0
297.22333	1.0
382.75815	1.0
412.04636	0.9
591.19458	7.4
603.29028	0.9
619.18951	3.6
753.22583	39.1
754.22876	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	753.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01377	3.3
61.98833	2.3
62.96226	0.5
66.92434	0.5
68.61777	0.5
69.15209	3.6
71.01395	3.6
73.02956	0.8
77.35165	0.5
85.02959	3.8
87.00873	1.2
89.02461	1.7
95.01409	1.7
95.05033	0.7
98.22693	1.1
99.06700	0.5
101.02461	0.7
105.03500	0.8
107.05027	1.4
108.02229	0.6
109.02940	1.1
109.30151	0.6
113.02463	6.2
117.03445	0.8
117.79869	0.5
121.02976	0.7
121.68282	0.5
122.03834	0.7
123.04537	8.9
131.03513	1.1
132.02206	2.1
133.02972	34.6
134.03777	5.4
135.04539	95.0
136.04843	2.6
149.02469	1.2
150.03261	6.4
151.04018	12.5
161.02463	69.3
162.02835	2.5
162.99290	0.6
165.07932	0.5
177.05507	0.8
179.03514	100.0
180.03828	2.7
191.05685	0.9
200.28108	0.6
233.04497	0.7
250.65337	0.6
251.05666	0.6
292.99542	0.6
323.07718	1.0
338.00085	0.7
354.29620	0.5
457.13513	0.7
587.52612	0.6
591.19354	7.7
601.17029	0.9
619.18927	3.4
621.18140	0.7
753.22510	43.1
754.22809	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	754.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82811	0.4
59.01387	6.9
59.82504	0.4
61.98829	1.8
66.78548	0.4
69.49474	0.9
69.49869	1.2
71.01382	6.5
73.02963	0.9
83.01408	0.7
85.02959	4.5
86.64883	0.5
87.00882	2.0
89.02450	3.9
93.03461	1.6
95.01424	1.1
101.02469	2.6
105.03476	1.1
113.02459	7.0
116.89361	0.5
117.03466	0.8
119.03519	0.8
123.04601	0.7
131.03517	1.7
132.02176	2.7
133.02968	41.7
134.03712	1.9
134.06139	2.6
135.04541	13.4
136.04893	1.1
152.07243	0.7
161.02458	100.0
162.02779	3.4
173.04546	0.6
179.03497	8.8
180.03833	1.5
191.05624	8.2
192.05930	1.9
193.05101	0.5
231.73103	0.5
367.10196	2.3
368.10556	1.2
460.18210	0.8
529.15680	3.4
565.56909	0.5
592.22614	2.5
622.20844	0.6
624.21906	0.5
754.25641	48.5
755.26031	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	754.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.3
61.98833	0.5
71.01386	7.4
72.20486	0.6
73.02962	1.0
85.02965	5.6
87.00921	0.9
88.98789	1.0
89.02473	3.2
95.01413	1.2
101.02447	2.3
105.03452	1.1
113.02459	10.7
117.03490	1.1
119.03523	1.1
122.06146	1.1
131.03494	2.1
132.02188	2.7
133.02972	42.2
133.21831	0.7
134.03699	2.1
134.06129	2.3
135.04541	15.2
135.05525	1.2
136.04842	1.7
143.03517	0.7
152.07167	1.0
161.02461	100.0
162.02808	3.0
179.03520	11.0
180.03859	1.8
191.05634	1.5
288.27805	0.7
314.12384	0.9
400.93591	0.7
592.22400	4.3
595.24701	0.7
754.25635	51.3
755.25629	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	755.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03453	13.2
59.01386	5.1
70.53835	2.4
71.01390	2.7
72.99320	2.0
83.01385	2.7
84.02159	1.3
85.02955	100.0
86.03291	1.6
89.02465	2.5
95.53558	0.9
101.39555	1.0
105.03440	2.3
111.00906	4.4
113.02526	1.1
123.04551	2.6
129.01949	8.4
133.02963	15.3
140.39087	0.9
147.03004	21.8
173.00980	2.5
177.01945	3.6
191.01988	69.1
192.02275	2.2
209.03003	1.5
255.03000	1.0
272.55124	1.1
300.73804	1.1
369.04608	10.8
480.41522	1.2
593.21033	1.4
755.26300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14115	0.7
55.01870	2.0
57.03449	10.0
59.01386	6.0
63.01948	0.8
69.17618	4.3
69.74990	0.7
71.01395	5.0
72.99307	4.3
73.02968	1.0
75.00876	2.5
83.01402	2.5
84.02156	2.9
85.02956	100.0
86.03309	1.7
88.98811	2.6
99.00901	0.9
103.00352	1.3
111.00890	3.1
115.00372	2.6
123.00675	1.0
129.01929	2.6
133.01459	0.9
134.03734	3.3
141.01697	3.1
144.33189	1.0
147.03017	23.9
154.99716	1.0
169.01303	1.0
173.00824	1.3
175.04115	1.5
191.01991	48.1
192.02350	1.0
193.05078	2.7
194.98949	0.9
200.00984	0.8
212.98228	1.6
213.00186	21.4
215.03226	2.1
221.11613	0.8
231.01256	8.0
294.81555	0.8
301.06754	0.9
326.63147	0.9
363.07028	8.3
364.07404	0.9
389.04599	2.0
407.05963	51.0
408.06104	2.9
601.63135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.8
59.01382	15.1
63.64173	1.0
68.40514	0.9
71.01384	6.2
72.99298	0.9
73.02951	3.0
76.81472	1.1
85.02961	16.2
89.02449	2.5
89.91328	1.0
96.95988	1.3
99.00916	1.0
101.02438	5.0
104.62106	1.0
107.05021	1.0
113.02466	2.9
117.03484	2.4
121.02949	1.6
129.01988	1.2
132.02158	2.3
132.62958	1.0
133.02966	41.2
134.03758	2.3
135.04538	21.3
147.02991	1.9
161.02458	100.0
162.02795	2.7
177.05493	2.0
179.03490	13.8
179.05038	1.3
179.05682	1.2
190.01312	1.2
191.02008	6.0
193.05040	1.3
203.28328	1.0
221.04543	1.9
221.06627	1.6
323.07715	2.8
345.15515	3.0
387.16544	2.6
507.20847	2.6
513.49658	1.0
549.21680	1.3
591.71252	1.0
651.19391	1.6
651.51263	1.3
669.20111	8.9
711.21417	61.5
712.21869	7.4
755.24091	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	755.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29207	1.3
69.08597	7.1
76.10712	1.0
85.45681	1.3
88.83999	1.3
90.22460	1.1
92.18093	1.0
101.09389	1.1
103.42757	1.0
105.90453	1.3
108.02144	1.5
135.04515	2.4
148.01669	1.1
151.00397	6.0
178.99828	3.1
179.03577	1.2
226.02838	1.3
227.03523	1.6
243.02960	9.5
254.02072	1.8
255.03038	20.7
256.03418	1.4
271.02509	50.0
272.02948	4.6
299.01981	3.3
300.02774	100.0
301.03259	11.4
333.56116	1.2
755.20459	64.0
756.20752	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	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51553	0.7
57.03460	0.8
59.01384	1.8
63.82351	0.7
69.00837	5.0
74.04627	0.6
82.71296	0.7
83.23772	0.6
85.02965	6.0
89.02465	1.0
98.22623	1.7
101.02449	0.8
130.08711	0.6
133.02943	1.4
135.04590	1.3
147.02985	1.0
151.00389	2.1
152.01204	0.9
161.02449	1.7
175.87247	0.7
179.03499	2.1
183.04475	1.5
191.01959	2.7
197.04602	2.0
209.02942	2.0
211.04016	1.6
226.21695	0.7
227.03542	9.9
229.05141	1.5
241.41449	0.8
255.03008	34.9
256.03525	2.7
257.04596	1.4
283.02499	45.7
284.03250	42.8
285.04022	31.8
286.04367	1.1
327.05032	2.0
387.16714	1.1
446.08655	3.9
447.08850	1.0
593.15173	100.0
594.15533	10.4
717.00897	1.0
755.20801	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	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01383	2.0
61.04209	0.5
72.99290	0.6
73.02946	0.9
85.02958	5.5
89.02448	0.8
93.03473	1.3
101.02497	0.8
104.20401	0.5
105.31553	0.5
107.01381	0.8
108.02159	0.7
113.02480	0.9
117.03509	0.8
133.02969	1.3
134.03760	1.1
135.04536	2.2
147.03044	1.0
151.00360	2.5
152.01181	0.5
161.02460	1.6
161.04562	0.5
163.00429	1.5
163.56166	0.6
165.02037	0.6
169.06526	0.9
175.58369	0.5
179.03526	1.1
179.05711	0.8
182.03821	0.6
183.04530	1.6
185.06068	1.5
186.85475	0.6
191.01988	2.2
193.05092	1.2
197.06044	0.6
199.03937	0.6
209.02979	2.1
211.04001	1.6
213.05762	0.8
227.03485	9.5
229.05003	2.6
239.03476	1.0
241.05052	0.8
255.02994	30.9
256.03595	2.6
257.04562	2.0
269.04535	0.7
281.04727	0.6
283.02502	42.1
284.03253	33.0
285.04065	86.1
286.04391	3.3
297.04221	0.7
327.05151	1.5
335.91287	0.6
387.16470	1.5
446.08472	3.0
447.09424	2.3
593.15155	100.0
594.15363	7.8
635.16492	0.8
675.89117	0.6
755.20557	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
60.99310	15.4
70.55930	0.7
71.01392	1.0
87.00848	0.6
88.98811	100.0
89.02459	1.3
89.99135	0.6
101.02431	0.6
143.50493	0.3
179.05585	0.7
179.72691	0.4
182.14957	0.3
247.81387	0.4
337.11652	0.4
350.90109	0.3
383.12003	1.0
393.45718	0.4
665.21283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01388	8.0
60.61699	0.5
67.34057	0.5
71.01385	7.0
73.02948	0.6
83.01421	0.6
84.03083	0.6
85.02959	7.8
87.00882	1.1
89.02448	3.1
89.04014	0.6
95.01420	2.9
98.22599	1.3
101.02438	1.7
105.03465	0.8
113.02462	15.2
123.04549	2.0
131.03539	1.7
132.02188	3.7
133.02969	47.1
134.03683	1.0
135.03494	1.2
135.04538	23.8
153.05585	1.7
157.12785	0.5
161.02457	100.0
162.02827	1.5
179.03531	5.5
189.99742	0.6
221.93387	0.5
233.22136	0.5
244.63644	0.5
315.10962	1.6
461.16669	2.2
593.21088	6.0
623.19861	0.9
706.06122	0.6
755.24054	33.7
756.24554	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	755.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68217	0.9
59.01378	6.8
69.22662	1.0
71.01400	9.0
85.02959	8.4
86.03298	1.2
87.10870	0.9
89.02450	4.3
95.01394	2.8
98.22614	3.1
101.02446	1.6
105.03466	1.7
113.02462	14.2
117.03511	1.2
121.03742	1.2
123.04512	2.5
131.03517	1.4
132.02193	1.9
133.02971	40.2
134.03371	2.9
135.04538	21.7
136.04842	1.3
153.05612	1.6
161.02458	100.0
162.02812	7.6
163.03001	1.7
179.03494	5.8
254.71747	1.0
255.79288	1.0
257.20831	1.1
276.21823	1.0
432.63162	1.0
443.80115	1.1
461.16550	2.9
593.20966	8.3
623.19965	3.0
624.20032	3.8
625.20197	9.8
755.24091	68.8
756.24133	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35035	1.0
59.01384	13.0
69.03656	7.5
71.01388	6.7
73.02928	2.4
74.29243	1.2
83.01388	1.2
85.02962	5.1
89.02457	6.8
93.07799	0.9
98.22683	2.1
99.00874	5.0
101.02409	4.8
107.04990	2.9
108.02195	1.1
110.26106	1.0
113.02466	4.7
117.03452	1.9
119.03505	1.0
119.05009	1.9
131.03566	1.8
133.02969	17.1
134.03761	8.5
135.04536	100.0
136.04832	2.6
151.00377	2.4
161.02460	46.9
161.04497	2.0
168.93355	1.2
178.99913	1.8
179.03508	58.9
180.03827	1.7
222.86562	1.0
227.03371	1.4
243.02974	6.7
254.02130	1.5
255.03017	17.0
256.03098	1.1
271.02499	31.5
272.02960	3.1
285.03745	1.3
299.01962	1.3
300.02783	54.8
301.03165	6.6
332.64090	1.2
387.16724	1.3
431.15732	1.3
549.21924	5.7
593.18732	20.5
594.19196	1.4
736.80115	1.0
755.22296	58.0
755.73767	1.2
756.21967	4.4
783.57788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78276	1.5
58.28002	1.2
59.01386	50.2
69.03445	3.0
70.68134	2.1
70.68491	1.4
71.01388	30.2
72.99311	1.2
73.02950	4.8
75.77268	1.2
83.01401	2.7
85.02961	13.3
87.00887	4.3
88.98823	2.8
89.02456	26.7
95.01396	4.1
97.02929	1.8
101.02449	17.8
113.02467	21.4
119.03547	7.6
123.04554	6.7
125.02465	6.3
131.03523	3.2
135.04543	41.4
142.23058	1.3
146.17422	1.3
149.04550	1.6
150.29480	1.7
153.05569	5.2
179.05663	3.9
221.06624	7.2
315.10855	6.6
359.01752	1.9
371.16287	1.6
417.66785	1.8
459.15140	2.0
593.21204	4.2
623.21722	4.5
662.12866	1.5
755.26208	100.0
756.26843	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	755.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03453	12.7
59.01385	7.4
65.68387	0.9
70.68810	1.1
71.01384	5.1
72.99308	2.2
75.00874	3.3
83.01360	2.1
83.93619	0.9
84.02187	1.9
85.02959	100.0
86.03304	1.1
87.00871	1.1
89.02454	1.7
101.02481	1.1
103.00368	1.9
111.00900	6.3
113.02482	0.9
115.00384	1.5
129.01967	8.8
133.02962	3.1
134.03752	1.0
135.04549	7.9
147.03015	13.9
150.32927	0.9
152.01189	1.3
161.02463	6.4
173.00945	2.9
179.03488	4.7
182.14406	0.9
185.11847	4.1
191.01991	40.9
300.02750	1.5
326.96719	1.0
334.39951	1.0
359.13629	3.5
368.28226	1.0
377.14563	50.8
378.14850	2.4
430.11639	0.9
721.63135	1.1
755.23376	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	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.4
61.98845	5.2
69.95862	2.5
72.10181	2.1
74.85948	2.6
99.31165	2.3
109.92075	2.4
113.02505	2.4
119.62667	2.5
169.12355	100.0
170.12762	3.9
171.10291	23.9
213.11259	3.2
228.14320	2.8
235.08252	5.9
253.09239	5.9
277.21753	66.3
295.05078	3.1
405.21191	8.2
667.57019	3.0
709.41644	13.9
727.43018	11.4
736.57056	2.9
755.41565	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	2.0
59.01382	9.9
67.80785	2.0
69.00998	2.1
70.91958	3.8
73.68047	2.1
77.58024	2.6
87.00872	2.3
95.52703	2.4
97.32671	2.0
101.02402	2.5
106.11437	2.1
117.47804	1.9
156.65434	2.4
162.61894	2.1
169.12363	61.7
171.10297	15.8
187.79530	2.4
235.08188	2.5
253.09390	3.9
277.21750	100.0
278.22116	6.3
291.96310	2.2
405.21405	4.2
450.08737	2.3
513.30890	6.4
654.40887	2.7
709.41821	10.1
727.42828	13.1
755.41663	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	756.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98835	100.0
71.01390	1.2
71.38680	0.5
73.02962	0.6
74.81545	0.4
75.32536	0.5
78.95892	0.5
81.83266	0.4
85.02969	1.6
95.01394	0.6
95.05059	0.6
96.96025	0.8
113.02464	1.9
133.02966	4.5
134.03505	0.7
135.04532	3.0
147.62863	0.5
154.51837	0.4
160.01605	0.5
161.02460	9.1
162.02805	1.7
175.03984	0.6
179.03513	1.3
191.05635	0.4
228.61539	0.5
237.59550	0.5
554.78406	0.5
594.21143	0.7
756.24103	5.1
775.52966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
60.01758	0.3
60.57989	0.3
61.98834	100.0
69.33635	1.8
71.01395	1.0
78.95892	0.4
85.02964	1.3
88.98817	0.9
95.01390	0.5
96.47217	0.3
96.96046	0.5
101.02473	0.5
105.61246	0.4
113.02477	1.1
133.02977	4.0
134.03659	0.6
135.04567	2.3
149.02469	0.3
150.03246	0.5
160.01691	0.5
161.02464	9.4
162.02802	1.7
175.04071	1.0
179.03552	2.0
193.05119	0.9
261.05582	0.6
621.19031	0.4
652.56720	0.4
756.23981	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	757.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03450	11.3
59.01378	11.1
63.35674	0.9
63.95812	1.0
68.99816	1.1
70.64839	1.4
71.01386	11.4
72.99311	8.3
73.02951	1.1
75.00874	3.6
83.01392	2.1
84.02169	3.0
85.02957	100.0
87.00895	1.8
89.02468	4.3
93.03429	1.0
99.00848	1.1
103.00351	1.6
111.00869	6.2
111.70230	0.9
115.00338	1.6
125.02151	0.9
129.01982	8.8
133.01459	5.9
134.03712	2.4
135.04504	4.4
137.02432	2.4
141.01706	16.5
147.02998	11.4
151.00090	1.8
154.99664	4.9
161.02492	1.1
173.00919	3.6
175.02513	2.0
179.03510	5.1
191.01985	54.2
192.02400	1.0
193.05032	1.5
209.03041	83.9
210.03395	1.8
213.00206	6.8
219.01474	1.5
231.01222	28.9
246.98555	3.0
371.06198	3.5
371.58234	1.1
375.02106	2.4
385.07843	11.8
386.08386	1.3
393.04544	17.8
565.00427	1.1
770.55872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87883	0.7
55.01865	1.0
57.03449	11.6
59.01380	6.7
59.86655	1.0
71.01382	5.3
71.38596	0.9
75.00881	2.1
83.01405	3.8
85.02957	100.0
86.03281	1.5
87.00881	1.7
89.02472	2.4
95.01436	0.9
99.00930	0.9
101.02454	1.9
111.00893	9.3
113.02457	2.6
117.03500	1.7
121.02921	1.4
129.01958	24.3
133.02939	3.3
134.03749	19.6
135.04539	2.3
137.02516	0.9
147.02994	6.8
149.02495	3.0
149.06108	2.9
150.03246	5.5
152.01158	1.2
160.01689	4.4
161.02466	5.9
162.02803	1.7
165.05574	4.2
173.00888	12.2
174.01247	1.0
175.04004	8.5
178.02710	2.6
186.33023	0.9
191.02017	14.3
193.05060	21.8
194.05383	0.8
195.06677	3.5
209.03087	3.2
247.80048	1.2
261.07660	3.3
276.63083	1.0
282.96463	1.0
323.07651	4.7
341.10339	3.0
367.06549	4.2
389.12381	1.1
409.12674	1.0
412.01395	1.1
491.17831	3.1
519.15106	1.7
533.18549	1.4
563.13849	1.2
661.23499	1.6
679.24768	2.7
696.96136	1.2
721.25348	2.1
757.24384	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	757.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03431	1.7
59.01383	22.1
71.01031	1.4
71.01392	19.0
72.99313	1.6
73.02948	2.9
76.03156	1.0
80.92629	1.2
81.03460	1.6
83.01367	1.9
85.02956	21.8
85.45051	1.1
87.00864	2.9
89.02462	7.8
93.03456	1.4
95.01419	6.0
95.05049	1.3
98.22654	2.2
101.02449	6.5
107.05038	1.4
109.02954	5.5
109.06584	3.0
113.02460	30.0
119.03564	1.7
119.05035	3.8
121.02972	8.1
122.03690	1.1
123.04549	10.2
131.03526	6.2
133.02953	4.1
135.04541	37.9
137.06087	18.8
143.03488	1.2
149.04535	1.7
151.04031	1.1
153.05583	13.5
161.02463	8.6
161.04581	2.4
162.02779	2.6
163.04068	5.1
179.03476	2.5
181.05087	37.9
182.05504	1.6
191.05675	1.5
222.02002	1.1
223.06195	1.4
297.09879	2.3
315.10803	3.9
461.17148	5.6
593.20831	3.1
623.61951	1.2
625.21344	3.6
757.25598	100.0
758.25964	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	757.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03448	1.8
59.01383	100.0
68.87677	0.8
69.03476	1.0
69.18436	1.4
69.18839	3.1
70.35755	0.8
71.01386	30.6
73.02953	68.4
75.00890	1.0
76.24584	0.8
83.01398	15.7
85.02953	14.9
87.00865	3.4
89.02459	8.9
95.01388	2.2
97.02949	0.8
101.02449	46.7
108.02186	1.1
111.00904	1.1
113.02458	19.8
113.03253	1.0
117.03478	2.8
119.03480	5.7
119.05006	1.0
121.02978	4.0
122.03778	1.6
123.04510	1.2
125.02443	2.0
129.01958	2.1
131.03542	4.0
133.02951	2.5
134.03726	2.3
135.04514	2.1
136.01671	20.9
137.02426	1.7
143.03485	3.3
145.02968	8.3
146.03697	0.9
147.03018	0.8
147.04527	1.4
149.04562	6.5
150.03242	1.2
151.04013	20.3
155.03513	1.6
160.05246	0.9
161.02487	6.9
161.04585	11.3
161.05925	1.3
162.03241	41.5
163.03868	2.1
175.03961	1.8
177.05585	36.6
178.05904	1.0
179.03555	1.1
179.05597	1.6
189.05695	1.2
191.01959	1.4
191.07086	0.9
193.05070	2.2
195.06641	1.6
203.05540	1.7
219.06642	1.3
221.06599	1.9
238.54453	0.8
248.04176	0.8
249.90289	0.7
255.14627	0.7
269.04568	3.3
327.12405	1.3
339.11026	1.9
342.10779	1.2
356.12418	0.9
357.13510	7.0
389.18155	1.3
482.02838	0.9
505.18613	4.9
510.72528	0.9
517.18799	9.9
535.19934	1.5
697.23352	1.2
757.19983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03444	4.7
59.01385	71.4
69.03493	2.1
69.36794	7.3
71.01392	39.6
72.99300	1.7
73.02947	16.0
83.01390	11.1
85.02959	44.5
87.00891	4.9
89.02449	16.7
95.01408	4.3
99.00894	5.6
99.01942	1.5
101.02448	39.9
111.00905	3.1
113.02459	22.3
116.94249	1.4
119.03513	5.5
125.02433	3.8
129.01968	7.8
131.03516	5.5
133.03061	1.7
134.03745	3.1
135.04489	2.1
140.33841	1.6
143.03532	6.3
146.56770	1.4
161.02460	5.9
161.04572	13.4
173.00974	2.3
179.05623	16.0
185.11899	3.0
185.24765	1.6
191.01959	5.4
193.05099	4.2
199.09738	4.9
221.06645	16.2
235.08006	1.6
241.10774	2.8
263.07751	11.1
274.25122	1.8
303.18112	6.3
329.16068	7.2
347.17139	31.9
365.42197	1.7
371.17142	2.3
389.18192	100.0
390.18552	7.1
410.82867	2.1
491.21255	5.0
509.22409	68.2
510.22729	5.4
533.22473	3.9
535.17670	1.9
540.24432	1.7
551.23462	40.0
552.23676	2.0
626.07581	1.6
632.33588	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	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78644	42.8
61.81292	46.1
65.97074	52.6
67.86818	38.1
71.25606	45.4
222.11299	55.4
225.11429	81.4
277.21747	100.0
461.20602	70.8
757.39166	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78823	17.0
53.97068	17.8
61.98832	28.8
69.26886	100.0
141.84860	18.4
144.59962	17.0
277.21811	27.4
287.69336	19.7
343.38840	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	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
61.98837	4.3
71.01387	100.0
71.42155	2.5
71.42545	2.3
78.91846	2.6
80.61304	1.8
87.00887	3.9
95.26498	1.8
96.96033	2.3
101.02454	4.8
103.41549	2.2
112.98708	2.5
114.93404	7.5
115.00368	7.8
127.11259	4.2
134.38225	1.9
163.11134	3.1
171.10284	70.0
199.09734	9.8
199.13286	2.3
201.11314	9.1
207.10298	12.4
225.11284	5.7
235.08252	4.4
253.09238	8.3
277.21735	87.3
278.21994	3.8
311.16833	3.8
461.20020	4.5
757.43701	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	759.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77602	1.6
59.01381	3.1
61.98838	3.9
73.08830	1.3
117.03481	24.2
119.05064	7.2
127.76777	1.4
139.33203	1.4
145.02969	52.8
149.02464	2.2
159.04507	1.6
163.04019	5.6
176.65700	1.5
183.04453	1.5
189.53284	1.5
219.61041	1.3
228.80322	1.9
229.05025	2.0
268.03680	3.1
269.04575	100.0
270.04898	5.5
293.04858	1.4
381.11896	1.9
453.11890	6.4
511.21756	1.6
553.66162	1.5
723.17242	54.2
724.17523	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	759.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
61.98795	0.7
69.27759	1.3
69.28178	2.3
71.01376	0.7
73.02937	1.5
96.95976	1.1
106.87465	0.7
133.02966	1.0
137.49326	0.6
142.16978	0.7
151.13760	0.6
161.02441	2.6
179.03542	0.9
339.23309	1.0
453.26459	0.7
467.28073	2.1
511.27051	100.0
512.27466	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	759.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02496	1.6
56.07643	1.8
59.01388	2.7
65.03974	4.9
68.38048	1.7
69.03469	12.0
69.79436	5.7
73.69785	1.7
81.03494	2.3
83.05032	22.7
85.02956	1.8
89.63672	1.9
97.06604	3.6
112.53651	2.0
113.02468	11.3
114.62878	1.8
123.08177	4.0
127.04017	7.3
134.03775	2.4
135.04637	1.5
139.07634	2.5
141.94014	1.7
151.07657	17.6
151.11275	1.7
156.42958	1.7
163.07675	1.7
165.09247	3.7
176.87463	1.6
183.43875	1.6
193.05017	1.9
207.13943	2.8
218.09766	1.7
219.10229	2.0
232.10931	3.5
235.13446	5.4
244.11009	3.3
245.11861	7.4
246.12555	3.6
247.13441	18.5
251.12959	2.1
258.12604	7.1
259.13394	7.2
261.15005	19.8
273.15079	3.9
288.13687	9.0
299.16599	7.5
302.15253	17.0
317.17612	30.9
361.16605	24.1
362.16443	2.6
379.17679	100.0
380.17993	5.3
382.96841	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	761.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67522	1.9
56.13292	1.6
56.71030	1.7
59.01384	12.7
71.01389	6.4
71.39796	1.9
74.96011	1.9
82.95399	1.7
85.02960	5.3
89.02460	5.2
93.03485	2.7
96.95991	4.6
99.32852	1.7
101.02435	3.3
113.02451	3.8
113.43250	1.9
117.03493	6.2
121.02940	4.5
122.03750	10.7
129.01958	2.3
132.02203	2.4
133.02969	10.5
134.03760	82.6
135.04581	4.9
137.02542	1.9
143.47923	1.7
149.02480	10.4
149.06079	17.3
150.03250	51.2
160.01682	8.8
161.02452	16.5
161.04515	2.0
165.05583	40.4
167.03505	4.3
172.25018	2.1
175.03999	5.8
178.02754	11.0
179.03540	6.2
180.04222	2.9
193.05081	100.0
195.06654	20.3
220.51027	1.8
222.94298	1.8
265.18149	2.8
282.09048	1.8
341.10361	8.0
343.11539	2.5
371.11334	5.7
403.13821	3.1
505.17322	11.1
565.19324	86.3
566.19647	5.6
660.11145	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	761.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01137	0.5
59.01375	2.0
65.03948	0.3
69.38411	0.3
70.87682	0.3
71.01389	8.2
71.40408	0.4
72.99305	0.5
85.02934	1.2
89.02419	0.4
95.05056	0.4
96.96012	1.0
98.95575	0.4
107.03725	0.4
108.04552	0.4
115.00384	10.3
120.04577	1.8
121.05322	1.4
122.05318	0.5
122.06136	4.5
133.00459	0.5
133.01433	7.5
134.06102	1.3
135.06880	1.0
136.07695	7.3
136.28418	0.3
137.07910	0.4
144.04570	1.1
161.02429	0.9
161.07275	0.7
162.05635	0.5
162.07022	0.3
171.11761	1.5
189.10344	0.4
192.86255	0.3
198.09290	2.9
199.10011	1.2
203.05911	1.9
212.10770	0.4
214.12408	8.5
225.06810	0.6
226.07451	1.8
227.08252	1.1
228.09009	0.7
229.09880	3.1
230.11880	2.8
241.09846	40.0
242.10594	12.2
243.96761	0.3
255.11237	0.7
256.10080	0.2
256.12170	12.7
257.12976	61.1
258.13339	2.5
283.10941	1.2
300.11197	10.4
301.11966	100.0
302.12274	4.1
325.12079	0.6
343.13098	6.3
344.80283	0.4
401.13748	0.4
416.12213	0.5
417.13196	0.8
464.51297	0.5
569.24701	0.6
573.23370	0.7
601.27350	0.9
613.22968	1.9
645.25708	7.6
646.26270	0.9
761.26917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.0
71.01388	6.8
73.02961	1.4
78.95910	34.2
79.95740	3.4
85.02972	1.8
87.00878	2.9
89.02451	10.0
95.01420	0.6
96.96025	100.0
96.96976	47.4
97.02982	0.6
101.02447	7.4
102.75066	0.4
109.02971	0.5
113.02460	4.5
113.47612	0.5
119.03534	1.6
121.88936	0.5
125.02479	1.4
131.03542	0.6
143.03525	1.2
149.04633	0.6
161.04576	1.7
179.05624	5.1
195.66620	0.4
203.05701	0.9
221.06665	2.4
259.02292	2.1
341.10892	3.5
383.11963	10.4
405.70584	0.6
421.07364	1.4
443.14099	2.0
485.15167	2.1
581.70947	0.5
601.13452	0.6
650.30182	0.5
665.21478	19.5
666.21844	1.4
703.17633	1.8
763.19006	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	763.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11750	1.3
59.01371	2.5
78.95914	79.0
81.19290	1.5
89.02442	2.8
96.96053	18.2
96.96972	100.0
101.02404	2.6
104.11368	1.5
113.02496	1.5
159.45050	1.4
175.35193	1.4
180.07803	1.7
249.06488	1.5
383.12000	2.3
665.21625	5.0
763.18805	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	763.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29141	0.3
59.01382	2.4
69.12873	1.5
69.13287	0.6
71.01384	1.6
75.15474	0.3
78.05281	0.3
78.95910	28.8
79.95737	3.4
85.02957	0.6
87.00880	0.7
89.02450	2.0
93.31683	0.3
96.96018	100.0
96.96967	38.7
101.02451	1.6
108.78419	0.2
113.02443	0.6
119.03504	0.4
134.77005	0.3
179.05614	1.1
259.02261	0.5
265.15909	0.3
271.96167	0.3
341.10974	1.0
383.11914	2.2
388.90115	0.3
416.08090	0.3
443.13910	0.4
601.13611	0.6
665.21576	4.4
763.18805	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	763.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91628	0.7
59.01371	3.4
61.61876	0.7
71.01386	38.4
71.42220	0.9
85.02956	1.6
89.02441	1.4
90.40530	0.8
96.96016	0.8
101.02457	1.9
113.02465	1.1
115.00381	19.6
121.02968	2.1
122.06100	1.2
133.01447	13.5
133.02945	1.3
135.04527	0.8
161.02420	1.9
172.05313	2.1
172.06761	0.8
173.06050	0.8
179.03462	1.2
183.04686	0.8
187.07671	18.7
188.08058	1.1
191.07408	0.7
201.05655	1.6
202.06415	3.6
221.06032	1.3
223.07648	1.9
231.10249	6.5
235.07712	2.0
239.07036	3.6
249.05608	2.2
250.06389	1.5
251.07152	6.7
252.07787	1.1
262.06372	1.4
263.07089	3.7
264.07837	2.9
265.05032	0.9
267.06628	18.1
275.09271	5.1
277.08734	1.4
278.09454	0.7
279.06628	14.9
281.08093	1.1
282.08975	9.2
291.11429	1.5
294.05441	5.3
294.09058	6.3
295.06073	5.4
297.11362	4.0
307.06107	2.0
308.06787	1.9
309.07770	7.8
310.08459	2.6
311.05698	1.2
317.21490	0.9
321.07581	0.9
322.08484	7.5
323.05679	14.5
323.09241	2.3
324.05740	1.0
326.07983	6.9
335.22330	1.1
337.07114	1.0
338.07971	22.6
339.08273	1.3
341.10312	56.8
342.10641	3.4
353.10321	100.0
354.10675	5.2
371.07404	0.8
371.11337	5.2
448.04916	0.8
487.12439	1.8
515.28668	12.2
524.20569	2.0
557.29669	3.2
597.23688	0.9
615.24750	3.5
647.26953	1.7
735.49591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67436	1.7
69.83758	3.1
69.84102	3.5
78.95907	15.2
79.95745	4.9
89.02470	1.6
96.96023	100.0
96.96948	26.3
98.21958	2.0
110.91920	1.9
195.33440	1.5
399.10764	19.8
409.36380	1.8
421.06592	5.5
481.08319	3.9
552.16370	1.8
665.22137	2.7
703.16718	2.1
763.18671	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	763.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88808	1.1
58.69769	1.1
59.01382	13.2
60.84990	1.1
66.17466	1.0
69.20444	5.7
71.01395	8.3
73.02951	2.5
83.01404	2.3
85.02966	7.4
87.00028	1.0
89.02452	3.5
95.01379	2.6
98.22604	2.4
101.02463	8.0
113.02469	13.8
117.03456	1.7
129.01932	3.3
132.02196	16.7
133.02956	4.6
134.03766	19.3
135.04570	1.5
143.03644	1.4
149.06065	1.8
160.01675	74.6
161.02472	5.6
164.58894	1.2
167.07166	2.4
175.04013	100.0
176.04321	3.1
179.03453	2.5
193.05081	13.0
213.02933	1.1
221.22786	1.0
243.35452	1.0
455.05960	1.4
475.18219	3.1
505.16821	1.9
524.20331	2.1
557.29541	3.0
633.22174	2.8
651.23010	70.9
652.23450	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45993	0.6
59.01165	0.4
59.01387	4.5
71.01385	9.7
73.02971	0.6
85.02960	1.5
89.01641	0.5
89.02480	0.9
94.06632	1.0
95.05037	0.8
96.15533	0.5
96.96003	0.9
98.60851	0.5
101.02447	0.7
106.06599	0.8
107.03773	0.7
108.04561	3.0
108.08181	0.8
110.06137	4.9
113.02525	0.6
115.00386	10.2
119.03489	0.5
120.08200	0.7
121.05331	0.7
122.06127	11.9
129.01979	0.6
133.01477	3.5
133.02994	0.9
134.06129	4.6
135.04495	0.7
136.07690	3.5
144.04582	0.9
146.06168	1.4
148.07687	1.0
152.07220	3.6
159.06909	1.0
160.04089	0.6
161.02461	1.3
161.04822	0.7
162.05589	1.1
173.04799	0.7
174.05612	2.2
179.03476	0.7
180.06668	11.4
187.06351	0.7
188.07198	8.2
189.39720	0.5
191.01955	0.7
201.10370	1.4
203.05937	1.0
203.11824	0.6
204.06606	0.5
210.07872	0.8
211.08798	0.6
213.10361	1.7
213.14091	0.5
215.11887	1.2
223.08870	0.8
224.09586	1.1
225.10315	1.4
226.11057	0.6
233.12888	0.7
236.09575	1.0
237.10338	2.7
238.07607	0.7
238.11073	0.9
239.08272	1.2
239.11880	7.0
240.09085	0.6
240.12523	0.8
241.09949	1.6
241.13547	3.1
249.10547	0.7
251.08226	1.8
251.11938	4.0
252.08824	0.9
253.09787	1.5
257.13013	1.3
258.13202	0.7
263.11917	2.3
264.08987	1.2
265.09875	5.5
266.10495	2.4
267.11459	3.4
269.09415	0.6
276.09216	0.9
277.09708	0.8
278.10373	0.6
279.07825	1.8
279.11377	4.4
280.08685	1.1
280.12167	3.6
281.09326	1.3
281.12943	1.9
283.11008	1.6
285.12576	4.2
286.09558	0.5
289.09891	0.7
290.10550	0.8
291.11380	5.1
292.08521	2.1
292.11734	0.8
293.09308	7.4
294.09988	1.1
295.10999	1.1
301.11905	1.8
302.12161	1.1
307.10904	11.0
308.11694	28.6
309.12332	7.3
311.10477	3.2
312.11331	1.2
313.11929	0.7
325.08209	0.6
335.10297	1.2
336.10696	0.6
338.33179	0.6
340.10675	6.7
341.11069	0.8
346.15231	0.9
349.18729	0.9
351.09930	1.5
352.10709	2.4
353.11298	1.3
356.14008	1.0
360.17307	0.7
370.15710	0.8
388.16797	1.3
402.18335	1.2
406.17725	1.8
408.15567	1.5
412.16614	1.1
413.17236	1.0
416.16168	0.6
418.17889	4.9
424.18759	0.9
430.17752	17.4
431.18176	2.4
436.18414	0.6
448.18839	10.6
449.19202	1.2
456.15741	1.2
464.18036	0.8
474.16620	3.4
475.17245	1.9
492.17813	35.1
493.18188	6.1
494.19180	0.7
496.20697	2.7
506.19373	3.3
510.22849	0.6
515.28802	3.7
524.20416	100.0
525.20813	14.4
535.23517	0.8
553.24725	1.6
557.29980	1.0
571.26013	0.7
597.23450	5.2
598.24121	1.1
615.24603	10.1
616.24823	1.9
629.26202	6.9
630.26630	1.5
647.27240	24.6
648.27954	3.8
756.70703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44611	0.5
59.01370	2.9
59.02062	0.6
64.50604	0.6
71.01385	6.7
85.02955	1.0
92.76466	0.5
94.06624	1.0
100.32400	0.6
103.02889	0.6
103.12129	0.6
103.17667	0.6
105.55759	0.6
106.06619	0.9
107.03725	0.8
108.04574	2.1
108.08187	0.9
110.06144	3.4
111.67517	0.6
115.00380	10.5
118.22137	0.6
121.05339	0.8
122.06135	12.6
122.06963	1.3
129.21417	0.6
133.01418	2.7
134.06137	4.5
136.07671	3.4
136.13052	0.8
144.04532	1.3
146.06137	1.6
152.07178	2.4
160.03995	0.7
161.04843	1.2
162.05605	1.5
172.04041	0.6
174.05627	1.7
180.06664	9.6
187.06413	0.7
188.07190	7.7
201.10426	1.1
203.05919	0.7
204.06746	0.9
213.10373	1.5
215.11911	1.8
223.08920	0.9
224.09647	1.1
225.10300	0.9
237.10376	2.2
238.11205	0.9
239.11885	5.9
241.09898	0.9
241.13470	2.3
249.10287	1.0
251.08281	1.8
251.11937	1.8
252.09015	1.2
253.09880	1.0
263.11963	1.3
264.08987	1.3
265.09827	5.8
266.10550	3.4
267.11368	4.7
268.08798	0.7
271.10815	1.0
276.09048	1.0
279.07761	2.3
279.11343	3.4
280.09186	0.6
280.12198	4.0
281.12918	1.6
283.10840	1.0
285.12509	3.8
289.09915	0.9
290.10632	2.0
291.11523	4.3
292.08453	1.8
293.09418	6.4
294.09991	1.3
301.12030	1.0
307.10913	11.3
308.11679	24.9
309.12347	6.0
311.10376	2.7
312.11206	0.9
313.11554	0.8
340.10663	5.4
351.09802	2.1
352.10651	2.5
353.11353	1.3
393.59052	0.8
398.14914	1.3
402.18567	1.1
406.17834	1.4
408.15640	0.9
412.17130	0.7
413.17468	0.9
418.17871	5.0
430.17734	17.1
431.18015	2.5
433.16565	0.8
446.16882	0.8
448.18823	10.9
449.19113	1.3
450.16525	1.1
456.15271	1.0
462.16507	1.0
474.16559	3.9
492.17816	35.5
493.18246	4.7
496.21045	1.7
506.19241	3.3
515.28729	2.4
524.20435	100.0
525.20709	12.5
553.24524	2.0
557.29388	1.2
597.23755	4.6
598.24670	1.0
615.24677	6.9
616.25403	1.0
629.26062	6.9
630.26965	0.8
647.27277	22.5
648.27625	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	763.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43291	1.5
59.01373	5.4
61.98827	2.7
62.39789	1.4
66.58242	1.5
71.01395	17.8
72.95885	1.5
85.02954	2.8
85.04141	1.5
89.02460	1.7
96.96029	1.7
98.21793	2.1
110.06138	5.0
111.26913	1.4
114.99585	1.8
115.00388	29.8
117.52514	1.9
120.04569	5.6
120.08207	6.0
120.09023	1.6
121.02984	1.6
121.05319	1.8
122.06133	21.6
122.89663	1.5
133.01459	23.9
133.02919	1.7
134.03795	1.7
136.07700	5.5
139.18762	1.4
144.04535	3.1
146.06154	2.3
161.02473	5.3
161.04765	3.2
162.05653	1.8
174.03526	2.1
174.05595	4.6
211.08716	1.8
213.10364	5.0
224.07210	1.7
225.10223	2.2
225.91679	1.5
237.10382	2.6
239.08322	6.2
239.11945	4.5
241.13417	7.4
243.14830	2.4
249.10454	2.0
251.11963	2.2
253.09865	6.6
257.12958	2.4
263.11972	2.4
265.09924	1.8
265.13449	2.3
267.07849	2.1
267.11417	5.9
268.12067	2.1
276.08929	4.9
279.07849	1.8
281.09348	4.1
283.11075	2.5
285.12469	6.6
285.21756	1.6
291.11429	24.6
293.09283	2.2
293.12793	2.4
294.10007	2.9
295.10956	3.6
303.13519	19.6
311.10428	3.1
313.11890	5.4
326.12500	1.9
330.12497	2.2
333.11136	1.7
335.10269	2.9
343.13116	3.1
344.13910	2.7
348.13467	4.1
356.13718	2.6
358.15790	3.3
360.13470	1.7
360.17270	7.0
371.12506	1.7
372.13272	2.4
372.17383	3.6
378.14639	2.3
379.40576	1.7
386.19266	2.2
388.16623	4.5
389.17361	3.7
390.18182	4.2
392.16068	2.0
398.14859	3.4
402.14481	2.7
404.16125	4.3
408.15298	2.1
412.16760	2.5
413.17267	4.2
416.16306	5.4
430.17664	5.8
431.18607	5.4
434.17157	11.4
448.18561	1.6
474.16504	3.6
475.17374	4.2
506.19388	5.2
507.20026	3.6
508.20187	1.7
511.23715	4.3
529.24554	3.4
535.23389	3.3
547.25903	3.3
553.24652	27.7
554.24072	2.7
556.22687	2.4
571.25507	23.5
572.25897	3.6
585.27112	5.8
597.23627	26.5
615.24725	56.0
616.24768	5.2
629.26233	48.8
630.26447	6.0
647.27307	100.0
648.27728	12.1
763.29047	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	763.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50117	3.1
55.84599	2.7
59.01391	17.5
61.46085	2.7
65.99833	6.0
69.76788	9.1
71.01387	45.0
72.99334	5.9
77.00916	3.2
83.01395	3.2
85.02961	8.9
85.66210	3.0
89.02448	5.4
96.96001	6.1
101.02483	8.4
110.06191	3.5
113.02458	5.0
115.00388	55.1
117.03439	5.0
120.08208	7.5
122.06126	29.7
127.15348	2.9
133.01439	49.0
133.03004	3.7
135.04497	4.1
138.05632	4.6
143.24817	2.6
145.02985	26.8
161.02422	3.9
162.02850	2.9
199.08748	3.5
239.08237	5.8
240.09016	3.1
241.09862	11.3
241.13509	3.6
242.10518	5.1
247.65575	2.7
251.11894	5.9
252.12534	3.4
253.09846	7.5
253.19618	3.4
257.12970	5.9
265.13376	8.6
267.11435	8.0
276.09055	6.7
277.09848	4.6
279.07480	3.1
286.09644	6.9
291.11459	40.4
292.12225	7.1
293.09412	4.6
294.10138	8.0
295.10831	4.9
301.12015	4.5
302.12238	6.2
303.12790	4.9
303.50076	3.2
309.12692	3.2
319.22784	10.2
335.10437	17.9
400.16693	5.8
408.15518	7.5
416.16153	5.2
431.18475	4.4
438.16367	3.4
445.16202	4.9
448.18625	8.2
457.16528	5.0
460.14764	4.3
475.17517	10.9
481.28644	4.2
492.17853	8.8
493.18707	8.9
499.29279	21.2
524.19800	16.4
541.30432	20.8
553.24731	11.4
557.29944	4.0
567.22607	5.8
571.25720	19.4
597.23486	40.4
598.23700	6.1
601.94305	3.1
603.20789	8.0
603.29150	5.8
615.24591	100.0
616.24890	13.3
629.26294	24.7
630.26569	5.1
647.27319	51.2
648.27307	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	763.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	51.5
64.66057	20.0
70.06625	21.2
70.48821	21.4
71.40773	29.1
85.00452	63.2
173.93018	24.1
201.93768	23.2
251.72121	26.3
337.23825	100.0
445.15042	20.7
763.42053	66.3
764.94501	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	764.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26897	2.8
59.01364	4.7
61.03531	2.3
67.77549	2.5
70.84776	4.6
71.01403	3.7
97.02953	5.0
99.00888	7.8
110.03771	3.2
119.85223	2.6
137.76535	2.6
157.08133	2.6
160.03102	2.4
163.11311	7.3
181.12364	12.2
207.10277	34.9
208.34926	3.1
223.91678	2.6
225.11343	100.0
226.11615	4.1
243.12405	11.5
258.50320	2.5
277.21738	78.8
278.22153	5.9
278.88748	2.7
461.13901	3.6
461.20401	41.0
462.21072	3.6
721.41681	27.5
722.41821	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98870	1.4
68.07063	1.0
69.57073	1.0
69.68047	4.0
71.01393	6.3
73.02952	2.9
84.76929	1.0
85.02963	3.3
88.02140	1.2
89.02480	2.8
98.22550	1.9
99.00908	3.7
101.02443	2.2
105.60178	1.1
107.05022	2.0
108.02187	1.3
113.02490	2.6
115.00430	2.1
117.03429	1.8
118.67632	1.1
132.02168	2.3
133.02972	17.1
134.03783	9.6
135.04538	100.0
136.04825	1.8
149.52316	1.3
153.09311	2.2
160.01680	4.2
161.01109	2.4
161.02461	46.1
175.03981	4.0
179.03510	69.0
180.03853	2.4
187.13414	2.6
187.55370	1.3
190.86423	1.1
193.05132	1.7
205.12378	2.8
272.21347	1.4
283.83777	1.1
287.09283	1.3
317.68744	1.1
493.53302	1.1
513.96332	1.3
525.20691	2.4
526.21191	2.3
563.24823	6.1
649.29724	1.7
679.26294	2.5
715.80908	1.4
721.27136	47.9
722.27460	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	765.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	16.9
61.98830	5.3
70.64009	4.1
74.72098	2.9
85.95784	2.9
88.98815	100.0
89.02458	7.0
153.43286	3.1
183.52083	2.9
195.48741	3.3
199.04195	3.2
216.81731	3.0
280.00443	3.9
714.33545	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72700	1.7
60.99309	17.2
69.37054	4.9
69.37444	4.8
72.86726	1.8
86.38958	2.0
88.98814	100.0
89.02458	8.4
98.21942	3.7
138.97571	2.0
204.09100	1.8
295.54254	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	767.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55145	3.9
57.03450	4.8
59.01381	59.6
60.14811	3.8
66.14810	4.0
71.01375	36.0
73.02940	20.5
77.05851	3.5
83.01379	5.6
85.02958	30.7
87.00883	6.3
89.02475	19.8
95.01408	7.3
100.34351	3.7
101.02449	28.6
113.02458	28.5
119.03528	7.7
121.02929	7.2
122.03693	4.8
123.04550	8.6
125.02476	5.0
131.03487	6.3
133.02979	12.4
134.03752	24.2
135.04558	24.8
136.00699	7.8
136.01675	73.1
137.02454	5.4
150.03223	12.5
151.04010	100.0
152.04401	4.5
160.01653	21.9
161.02469	39.7
161.04605	5.7
175.03987	17.6
178.02774	5.3
179.03513	46.5
193.05069	56.7
221.06566	6.0
223.06172	4.2
229.67575	4.2
233.06581	4.0
357.13400	83.9
375.99481	4.0
408.08130	4.3
591.20068	6.0
623.20215	10.6
654.87891	4.6
656.44354	4.6
681.23987	14.0
698.74109	4.9
723.25580	23.1
739.25238	4.7
767.24231	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	767.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55145	3.9
57.03450	4.8
59.01381	59.6
60.14811	3.8
66.14810	4.0
71.01375	36.0
73.02940	20.5
77.05851	3.5
83.01379	5.6
85.02958	30.7
87.00883	6.3
89.02475	19.8
95.01408	7.3
100.34351	3.7
101.02449	28.6
113.02458	28.5
119.03528	7.7
121.02929	7.2
122.03693	4.8
123.04550	8.6
125.02476	5.0
131.03487	6.3
133.02979	12.4
134.03752	24.2
135.04558	24.8
136.00699	7.8
136.01675	73.1
137.02454	5.4
150.03223	12.5
151.04010	100.0
152.04401	4.5
160.01653	21.9
161.02469	39.7
161.04605	5.7
175.03987	17.6
178.02774	5.3
179.03513	46.5
193.05069	56.7
221.06566	6.0
223.06172	4.2
229.67575	4.2
233.06581	4.0
357.13400	83.9
375.99481	4.0
408.08130	4.3
591.20068	6.0
623.20215	10.6
654.87891	4.6
656.44354	4.6
681.23987	14.0
698.74109	4.9
723.25580	23.1
739.25238	4.7
767.24231	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	767.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30934	1.4
59.01381	10.4
69.39400	1.2
71.01389	12.4
71.07140	1.3
73.02949	3.9
85.02960	14.1
87.00851	1.6
89.02469	6.7
95.01398	6.3
98.21900	3.0
101.02447	3.4
107.05108	1.4
113.02468	25.2
117.03455	2.8
123.04516	9.3
131.03505	1.7
132.02188	23.2
133.03012	7.5
134.03758	27.3
135.04552	29.8
149.02364	1.6
149.06093	4.4
150.03233	3.6
151.03989	3.3
153.05609	7.3
160.01677	85.5
161.02464	26.2
171.02528	1.3
175.04016	78.6
176.04393	4.4
178.02664	2.5
179.03496	9.4
193.05075	30.3
250.66788	1.4
289.81479	1.4
315.10693	2.8
361.85208	1.3
372.82773	1.3
394.86630	1.4
430.96365	1.2
443.15396	1.6
461.16708	27.8
462.16757	1.4
470.27292	1.4
471.50021	1.5
608.81921	1.4
623.19757	5.6
637.21423	100.0
638.21704	10.1
656.27032	1.3
767.24213	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	767.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	2.0
59.01385	81.4
69.58781	3.8
69.59170	3.8
69.99072	2.0
71.01389	50.6
73.02959	11.6
78.95894	1.8
82.02989	4.0
85.02961	15.0
87.00886	18.3
89.02451	57.9
95.01393	4.1
96.96030	2.2
97.02965	3.4
99.00897	3.4
100.04082	2.3
101.02456	50.0
113.02467	23.9
119.03525	10.4
119.05019	1.9
125.02448	6.0
131.03447	3.1
133.34225	1.7
143.03474	10.4
149.04572	3.3
161.04588	11.6
179.05634	40.5
180.05894	2.5
203.05655	4.8
221.06691	13.5
264.08789	8.9
317.10739	2.4
323.09912	4.2
341.07004	3.3
341.10858	30.4
342.11490	2.1
383.11963	72.4
384.12094	2.9
425.13098	2.6
443.13980	16.1
449.36261	2.1
464.51016	1.9
485.15240	18.5
488.41611	1.9
503.16647	2.8
665.21521	100.0
666.21667	11.3
737.16016	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	767.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01384	9.1
63.03197	0.5
69.03445	0.5
69.09502	2.8
69.09920	1.0
71.01393	3.1
73.02945	1.5
76.76993	0.5
83.01387	0.7
85.02953	5.4
88.98852	0.6
89.02445	1.5
89.03965	0.8
91.05540	0.9
91.07301	0.5
95.01424	0.6
99.00887	1.4
101.02451	2.1
107.05028	3.0
111.00880	0.7
113.02478	2.0
113.07216	0.7
117.03504	1.7
119.03515	0.7
120.50977	0.6
121.02977	1.3
121.68079	0.5
123.04539	0.9
123.08183	1.3
129.01988	0.8
132.02180	1.5
133.02975	18.1
134.03761	11.7
135.04538	100.0
136.04860	2.2
145.02960	0.6
150.03238	1.3
151.04024	1.6
153.05644	1.0
160.01685	1.9
161.02457	41.8
162.02818	0.8
166.99803	0.5
170.09352	1.7
175.04030	2.2
178.02814	0.7
179.03514	57.2
180.03859	0.7
189.12880	1.6
191.02121	1.3
193.05045	3.7
197.04536	2.8
207.13876	1.8
212.14066	0.9
227.23480	0.6
230.22397	0.5
305.06378	1.4
353.10400	0.5
359.20963	0.7
429.17624	0.7
519.24316	1.1
521.34338	0.5
561.25220	0.7
641.34473	2.5
648.55743	0.6
681.27887	1.3
723.28754	47.0
724.28894	5.5
738.35522	1.3
767.24561	2.3
768.37036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.3
59.01383	4.5
71.01393	2.4
72.99308	0.3
73.02952	1.0
78.09547	0.3
83.01425	0.2
85.02964	1.6
89.02451	1.0
89.03984	0.4
90.37539	0.3
91.05543	0.5
93.03477	0.9
95.01386	0.4
96.96033	0.5
97.02974	0.4
99.00888	0.7
101.02466	1.2
111.00908	0.4
113.02467	1.5
115.00399	0.3
117.03500	0.6
119.01414	0.8
119.05030	0.6
119.85681	0.3
119.88457	0.3
121.02968	10.0
123.08158	0.5
125.02506	0.3
132.02194	1.2
133.02945	0.6
134.03770	0.9
135.04567	1.5
137.02522	0.3
143.03545	0.3
147.00839	0.3
147.04539	3.8
149.02457	56.3
150.02777	1.4
151.03981	0.4
160.01686	0.4
161.02458	0.9
161.04657	0.5
163.04012	0.9
163.11270	0.4
164.04808	50.1
165.05101	2.2
169.60921	0.2
175.00378	4.1
175.03900	0.4
178.02759	0.4
179.03552	1.2
179.07135	5.5
179.08763	0.3
189.12869	1.0
190.02730	9.9
191.03183	0.3
193.01430	0.5
193.05125	1.9
205.05058	10.8
207.13992	0.9
208.03725	1.3
223.06131	100.0
224.06453	3.1
303.15814	0.3
333.90985	0.3
345.15369	0.4
401.14685	0.4
453.80850	0.3
501.23370	1.2
543.24371	0.4
561.25299	0.6
707.28992	0.7
725.30310	1.9
736.44257	0.3
757.97772	0.3
767.31915	4.8
768.31036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44594	0.2
55.62864	0.2
55.83657	0.1
59.01387	1.7
64.01936	0.6
69.20557	0.3
69.20966	0.6
71.01392	1.1
73.02985	0.2
85.02955	1.6
87.00904	0.3
89.02470	0.5
89.23951	0.2
91.05540	0.4
92.05161	0.2
92.38271	0.2
95.01391	0.4
98.26820	0.2
101.02456	0.2
107.05040	0.9
109.02946	0.3
113.02477	1.9
117.03513	0.5
120.04573	1.2
121.02959	0.3
122.82386	0.2
123.04518	0.2
131.03531	0.6
132.02184	0.4
133.02974	6.5
134.03783	2.9
135.04541	59.3
136.03979	0.2
136.04881	1.7
137.02483	0.2
146.02513	0.4
147.03206	0.4
148.04053	3.8
149.04408	0.2
151.03960	0.2
159.04706	0.2
161.02461	14.8
162.02777	0.7
179.03514	100.0
180.03850	3.6
191.05563	0.2
212.17624	0.2
233.04515	0.4
245.04417	0.3
251.05589	0.6
268.70355	0.2
283.98611	0.2
323.07758	0.5
474.58817	0.2
475.14487	0.2
487.14694	0.3
606.19763	0.2
619.18835	4.3
620.18848	0.4
621.18341	0.3
622.18176	0.6
632.95959	0.3
768.23572	3.5
769.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.6
59.01376	10.5
70.74139	4.3
71.01379	6.4
71.02517	5.0
73.04086	8.0
73.62867	2.6
80.73962	2.5
84.71004	2.6
85.02974	15.6
96.00923	38.4
97.04058	4.0
98.02505	5.3
99.02003	10.8
101.02499	4.6
109.04073	12.2
110.02493	4.3
111.01988	4.0
112.02804	3.4
113.02464	3.9
113.03593	4.5
113.07217	18.7
115.08775	5.2
116.05034	4.9
126.06728	3.2
127.05157	11.3
129.01973	3.7
130.06241	3.1
132.02138	3.3
133.02953	13.4
134.03717	10.8
135.04543	77.7
136.04836	16.8
141.06659	13.6
144.07809	11.9
146.06146	9.0
149.07156	2.9
152.04683	3.0
152.08298	6.3
153.06744	6.1
158.06117	3.5
160.01663	7.7
161.02461	34.9
162.02827	10.3
167.08286	15.3
167.11980	4.3
170.09354	52.5
174.05560	2.9
175.03986	6.4
179.02054	3.9
179.03519	44.5
179.52359	2.7
180.03857	15.3
182.09418	3.2
184.10960	2.8
186.05667	13.6
193.05080	3.0
195.11336	4.1
203.08238	11.3
207.08936	4.1
212.14061	58.0
213.10320	9.6
223.12082	13.3
227.11794	9.9
228.10263	4.3
241.13120	13.9
242.09370	2.8
256.10947	4.8
257.09302	3.7
260.10391	6.0
274.11914	8.3
279.59155	2.9
298.15195	11.1
341.19946	12.7
359.20978	17.6
408.05179	2.7
428.19598	3.1
445.22403	2.9
446.93008	2.9
452.03311	2.7
469.54272	2.9
470.24341	4.5
487.26553	3.8
641.34204	100.0
642.34644	15.6
653.34064	7.6
666.03876	3.1
671.34882	13.9
720.34973	19.9
724.29059	48.9
725.29370	8.8
730.75031	3.3
738.35895	79.4
739.36743	14.7
750.36243	8.3
768.36932	29.0
769.38062	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	769.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.1
61.98841	1.4
71.01385	5.8
73.02975	1.0
81.03464	1.0
85.02949	6.1
87.00870	1.2
89.02475	1.4
93.03443	1.0
95.01424	1.9
98.22718	2.3
101.02450	1.2
105.03503	1.0
109.02958	5.4
113.02461	9.4
117.03484	1.3
119.05004	1.6
121.02979	4.4
122.03769	1.3
123.04536	8.0
123.80813	0.9
125.00529	1.0
132.02199	3.0
133.02971	40.1
134.03706	3.4
135.04541	43.1
136.04857	2.7
143.69435	1.0
149.02429	5.0
150.03253	5.0
151.04042	14.7
153.41684	0.9
161.02458	100.0
162.02811	3.0
163.04018	2.2
165.01910	1.8
167.03494	2.6
175.04037	1.0
179.03510	52.9
180.03888	4.0
265.05237	1.0
329.08954	1.0
356.49399	1.2
403.40866	1.0
427.16592	1.1
459.15137	1.8
475.14511	1.5
477.15814	1.8
487.14359	2.0
529.16016	1.4
607.18982	6.0
621.18298	18.6
622.18317	1.4
639.19397	32.7
640.19543	1.7
769.22070	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
69.03448	1.4
69.49926	2.6
69.50311	2.6
71.01399	6.1
72.99317	2.2
73.02926	1.8
75.00893	1.8
85.02964	6.7
86.97574	1.2
87.00890	3.4
93.03473	2.9
95.01378	1.7
95.05054	1.6
98.22666	2.4
101.02451	1.9
108.02174	2.4
109.02960	46.0
109.03706	2.2
113.02447	7.2
120.81611	1.2
121.02973	9.4
123.04532	13.6
127.56216	1.3
131.03508	1.7
132.02155	3.8
133.02968	53.3
134.03661	3.0
135.04546	21.2
136.04854	1.8
137.02434	3.6
139.03992	4.5
149.02493	8.6
150.03203	4.2
151.04050	8.7
160.01634	1.9
161.02452	100.0
162.02756	3.7
163.03947	1.9
165.01953	9.8
166.02707	5.7
167.03513	22.8
175.03952	2.0
178.02658	1.8
179.03519	19.3
180.03775	2.2
311.07748	2.7
329.08853	9.4
333.20856	1.3
455.36612	1.5
475.14661	15.4
607.18805	15.6
637.16504	1.4
639.18262	2.1
769.22021	98.9
770.22180	10.9
778.74316	1.7
804.91217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46211	0.3
59.01384	1.4
68.99821	0.4
71.01380	1.4
77.03997	0.3
85.02967	2.0
87.00887	0.4
89.02473	0.6
93.03448	0.7
95.01392	0.5
95.05087	0.3
101.02489	0.3
105.03483	0.3
107.05045	1.2
109.02951	0.6
113.02454	1.7
117.03469	0.7
121.02970	8.3
123.04527	0.5
131.03563	0.4
133.02965	7.3
134.03766	3.3
135.04536	65.6
136.04878	1.5
143.03391	0.3
145.02962	0.5
148.01723	0.3
149.02457	11.4
150.02972	0.4
151.04051	1.4
160.01646	0.4
161.02455	13.6
162.02858	0.3
179.03510	100.0
180.03827	2.7
191.05644	0.3
233.04530	0.4
245.04538	0.5
251.05586	0.3
283.98068	0.3
323.07867	0.4
423.39569	0.3
475.14334	0.4
504.30853	0.3
516.64136	0.3
536.28345	0.3
575.15833	0.3
607.18909	0.7
619.09448	0.4
619.18860	4.8
691.15399	0.3
769.22101	3.7
770.22815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2568
Annotation	Scrophuloside B2
Peak:m/z	Relative Intensity
55.01888	0.7
57.03452	1.6
59.01385	14.7
69.25742	3.2
69.29911	0.5
71.01385	16.5
72.99326	2.0
73.02959	1.4
78.59230	0.5
81.03457	0.8
83.01378	0.7
85.02956	20.2
87.00902	3.0
89.02454	7.3
89.03969	1.5
90.83541	0.6
95.01389	4.6
98.22655	1.3
101.02448	3.9
103.04047	0.9
113.02458	30.9
114.02802	0.9
117.03492	3.6
119.03523	1.3
123.04542	10.0
125.02380	0.6
127.04053	0.6
131.03513	4.7
132.02185	22.2
133.02989	4.4
134.03757	42.8
135.04546	28.1
135.05383	0.5
136.04849	0.9
143.03499	1.5
145.02969	0.8
149.04605	1.7
149.06084	5.2
153.05579	14.8
160.01672	82.8
161.02454	14.2
161.04594	1.7
175.04015	63.8
176.04417	2.4
178.02664	2.9
179.03514	2.9
191.05637	2.4
193.05072	29.6
194.05489	1.0
209.69450	0.6
211.06177	0.6
265.07224	1.3
297.09827	1.8
315.10803	2.9
461.16617	5.0
491.15448	0.8
515.13177	0.7
575.19617	2.8
593.20905	18.2
594.21222	1.8
637.21405	4.0
769.25598	100.0
770.26013	16.0
770.36938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2566
Annotation	Scrophuloside B2
Peak:m/z	Relative Intensity
57.03458	2.4
57.29609	1.7
59.01382	15.9
69.74650	1.8
71.01391	17.3
85.02952	19.5
87.00887	2.2
89.02447	5.7
95.01382	6.1
97.45435	1.9
98.22739	2.6
101.02436	4.0
113.02451	30.7
117.03432	2.3
118.54603	2.0
123.04526	10.9
131.03484	4.4
132.02184	17.6
133.02975	12.1
134.03763	37.2
135.04543	32.6
149.06084	4.1
153.05579	14.7
160.01666	80.5
161.02460	24.9
161.04521	2.0
175.04016	61.1
178.02689	2.7
178.22823	2.1
179.03444	3.4
193.05087	23.9
315.11081	4.9
461.16620	5.4
474.38034	2.1
526.28046	2.3
575.19647	4.2
593.21039	17.0
637.21130	3.4
756.79681	2.5
769.25653	100.0
770.25854	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01390	7.6
64.06527	0.9
71.01388	10.2
73.02964	0.9
85.02962	9.9
87.00910	1.6
89.02457	2.7
95.01419	3.1
98.22688	2.3
101.02446	2.1
113.02466	18.9
117.03495	4.9
119.05051	10.8
123.04542	3.8
131.03491	2.0
132.02216	2.3
133.02972	43.7
134.03767	2.0
135.04538	29.0
135.08189	2.4
136.04909	2.3
137.02449	0.9
145.02968	9.2
149.02496	1.6
150.03276	3.0
151.04039	3.3
153.05582	2.0
157.08289	0.8
160.01620	1.0
161.02463	100.0
162.02824	5.4
163.02727	1.7
163.04031	21.3
164.04222	1.5
179.03514	13.1
180.03882	1.3
229.01004	1.0
315.10986	0.9
341.12567	1.1
427.19568	1.2
445.88013	0.8
461.16888	3.4
607.22101	4.4
623.20123	3.5
688.21912	1.4
694.22375	1.4
737.23242	6.4
769.25507	37.7
769.39764	1.8
770.26215	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	769.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03489	1.5
58.00585	1.3
59.01383	78.6
63.12840	1.7
69.03455	2.6
69.59768	4.0
71.01385	49.2
72.99291	2.4
73.02945	5.5
83.01381	3.2
85.02958	15.2
87.00873	7.2
89.02453	39.0
89.98030	1.4
95.01397	4.6
96.95970	2.0
97.02940	4.2
101.02448	24.9
107.80383	1.4
113.02461	23.6
119.03507	12.6
121.15419	1.3
123.04519	2.0
125.02461	13.7
129.27863	1.6
131.03526	8.0
133.03003	4.0
134.03734	4.4
143.03539	3.1
149.04663	1.7
149.06030	1.8
152.04852	2.4
156.20920	1.5
161.02460	8.3
161.04585	4.2
165.41344	1.4
167.07169	1.8
172.54001	1.6
179.03508	3.0
179.05602	12.4
191.01985	2.0
191.05544	2.2
221.06587	2.7
237.72969	1.7
245.76987	1.4
246.16925	1.4
267.60785	1.5
349.04788	1.6
394.28586	1.7
400.39423	1.6
473.16821	1.9
491.17502	5.4
637.23773	14.0
686.65765	1.6
717.73785	1.6
730.22247	1.6
769.27716	100.0
770.27167	8.9
790.06799	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	770.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
60.52475	1.0
63.13062	0.9
63.94234	0.8
69.79887	1.9
69.80238	2.0
71.01395	5.0
85.02946	5.6
89.02435	2.9
95.01380	1.6
109.02937	1.6
113.02459	8.6
123.04525	12.2
132.02225	1.8
133.02971	38.6
134.03697	1.5
135.04533	20.5
136.04875	1.8
150.03218	1.4
150.05632	20.8
151.04065	6.4
161.02458	100.0
162.02806	2.8
179.03514	26.1
180.03841	3.3
181.03981	1.7
191.05765	1.3
207.81425	1.0
552.77020	1.0
591.19305	1.6
608.21747	5.8
633.50812	0.9
726.68372	0.9
746.03448	1.2
753.22803	7.0
770.25183	50.5
771.25244	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	770.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.26499	2.8
61.98818	12.3
69.27311	12.5
70.75804	3.4
77.89517	2.7
81.69753	3.0
85.09747	2.6
92.92797	7.6
134.21687	2.8
147.14488	2.8
317.68756	3.1
337.23895	100.0
338.24292	6.0
371.18701	7.2
437.45074	3.1
641.62659	3.7
685.43402	4.6
709.42908	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	771.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03456	10.3
59.01367	7.5
63.12589	1.5
70.66236	2.3
71.01392	6.5
72.99324	1.9
75.00890	1.8
75.04968	1.3
83.01377	1.8
85.02956	100.0
87.00895	1.7
89.02483	2.4
95.55328	1.4
97.93237	1.4
98.80767	1.4
111.00861	3.6
115.00407	1.9
129.01945	10.5
133.01436	3.6
134.03766	2.8
147.03014	12.2
173.00987	2.2
188.27711	1.5
191.01990	58.6
193.05174	2.3
209.03041	64.2
220.34711	1.5
385.07834	16.7
571.18463	1.5
652.71021	1.8
776.87872	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	771.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03458	11.5
57.71040	1.0
59.01383	6.0
66.91176	1.0
69.03471	1.0
69.27816	5.8
71.01382	3.4
80.38695	1.0
80.96530	1.1
82.01768	1.0
83.01397	9.5
84.02173	1.1
85.02959	100.0
86.03278	2.0
89.00322	1.5
89.02466	1.2
91.01901	1.4
93.03447	1.7
95.01392	1.2
96.96049	1.4
97.02989	1.4
101.02419	1.7
106.00605	2.5
108.02186	3.2
109.02971	1.5
111.00888	12.4
113.02431	1.6
119.01391	1.9
121.02982	21.0
123.00911	5.0
123.04553	5.6
125.02469	3.6
127.00400	1.7
129.01964	38.9
132.02202	6.0
133.02956	2.4
134.03758	19.0
135.04535	3.6
137.02473	6.2
138.03224	4.4
145.06374	1.3
147.00879	1.1
147.03004	6.0
147.04489	2.2
149.02467	12.0
149.06079	5.0
152.01128	1.7
153.05598	14.6
154.99876	1.3
160.01672	30.1
160.03018	1.5
161.02423	5.8
162.03232	1.6
163.04004	2.1
164.04805	11.4
165.05562	1.2
166.99869	3.3
173.00966	6.9
173.06003	1.0
175.00424	10.8
175.04018	32.6
176.04408	1.8
177.01898	2.4
177.05537	1.7
178.02727	4.3
179.03491	3.2
179.07121	7.1
182.02206	10.5
187.04134	1.3
189.05621	1.7
190.02750	28.8
191.01949	2.0
191.03528	2.6
193.01421	2.1
193.05084	17.7
197.04568	32.8
202.06387	4.6
205.05080	45.2
206.05452	2.3
207.06676	2.1
208.03699	2.2
217.05113	3.5
217.08653	7.3
218.05852	1.9
218.27780	0.9
223.06133	11.0
232.07384	2.8
233.04538	4.1
233.08185	4.0
247.09801	4.4
248.06953	3.3
258.27039	1.0
261.07709	18.6
263.09271	9.7
265.07193	2.3
273.07715	2.4
291.08771	39.2
292.09106	1.4
305.06726	2.0
306.62930	1.1
323.07776	7.3
335.07703	3.1
371.06354	5.1
382.98489	1.1
389.07721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
58.22137	0.8
59.01385	2.2
65.00339	1.2
71.01377	2.0
71.29181	0.7
71.40553	0.9
74.14742	0.8
75.78804	0.9
77.43460	0.7
83.01392	0.9
85.02959	19.6
88.98813	1.5
94.65541	0.8
96.96001	1.1
99.93113	0.7
107.01395	1.8
111.00903	1.8
121.02962	1.7
129.01932	1.8
133.02914	1.2
135.04495	0.8
144.34988	0.9
147.02948	2.1
149.02431	0.9
151.00394	7.0
157.20992	0.8
159.04469	1.0
161.02466	1.1
163.03984	1.5
171.04353	0.9
175.00403	1.0
175.03973	1.0
178.99889	2.3
179.03453	1.2
191.02000	12.4
194.20518	0.7
197.06487	0.8
199.03992	2.5
200.04648	0.9
201.01834	0.8
209.03065	13.8
211.04144	1.0
211.86342	0.8
215.03506	1.4
223.06233	1.1
227.03554	2.7
243.03001	5.3
254.02299	1.3
255.03040	4.7
271.02509	65.8
272.02957	2.5
297.21371	1.1
299.01999	100.0
300.02722	34.6
301.03549	31.9
302.03952	1.3
343.04617	1.6
348.81656	0.9
382.55743	0.8
385.07590	2.3
438.62503	0.9
462.07999	11.8
463.08633	4.8
609.14618	41.4
610.14886	3.3
771.19940	58.3
772.08405	1.0
772.19891	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	771.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
63.02422	0.9
65.00349	1.0
69.40763	1.1
69.41172	1.2
71.01392	1.4
83.01379	0.8
85.02959	1.9
89.02454	0.8
93.57723	0.4
104.90885	0.5
107.01392	2.3
108.02246	0.7
109.02960	1.8
121.02960	1.0
125.02486	1.0
133.01434	0.8
133.02959	0.9
147.00908	0.6
149.02486	0.5
151.00378	8.3
152.01183	0.7
153.60840	0.5
160.38292	0.5
161.02454	1.3
163.00412	0.8
164.01085	0.5
169.33148	0.5
171.04497	1.1
175.00427	0.8
178.99916	2.1
179.03503	0.7
187.03888	0.5
191.01955	0.7
193.01419	0.6
199.04042	3.2
201.01936	1.1
211.04053	0.8
215.03526	1.3
216.03975	0.5
227.03563	2.6
229.04974	0.5
240.53229	0.4
243.02962	4.1
255.03015	5.3
256.03702	0.6
271.02493	62.9
272.02954	2.6
285.04095	1.0
299.01984	100.0
300.02722	29.2
301.03543	38.8
302.03964	1.4
343.04663	1.7
387.10980	0.7
462.08014	13.2
463.08746	5.3
609.14569	34.7
610.15009	1.9
676.04181	0.5
722.34222	0.5
771.19867	55.7
772.20087	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	771.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	2.4
66.11060	1.0
69.09995	4.6
69.10394	1.4
71.59388	1.0
83.01389	2.1
85.02976	1.6
98.22671	1.5
98.47252	0.9
104.76205	0.8
107.01406	5.5
108.02173	2.1
109.02934	2.7
121.02969	3.4
131.39551	0.9
135.00859	1.6
143.28841	1.0
146.45117	1.0
148.01704	2.3
151.00380	23.5
161.02379	1.0
163.00349	4.2
164.01151	1.1
169.01418	1.1
175.03987	1.5
178.99844	12.9
193.01482	1.2
211.04002	1.7
226.02809	2.6
227.03471	4.0
229.05020	1.9
243.03018	12.2
245.04611	1.6
254.02176	2.9
255.03003	30.7
271.02493	62.4
272.03027	4.3
273.04077	2.3
283.02405	2.9
300.02768	100.0
301.03537	69.9
302.03824	2.9
307.35150	1.0
398.97467	1.0
449.26434	1.0
512.19049	1.1
771.19977	83.9
772.20129	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	771.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.63886	0.8
56.59465	0.6
57.03450	1.9
59.01385	4.1
61.98828	0.9
68.71645	0.6
71.01388	3.4
73.02955	1.7
73.07919	0.7
80.96549	0.7
82.46401	0.6
83.01405	2.2
85.02958	20.7
85.03479	1.0
86.03294	0.7
87.95944	0.6
89.02440	1.0
95.01417	1.1
98.22626	1.7
101.02457	1.9
105.03376	0.7
108.02185	56.5
109.02985	19.8
111.00889	3.7
113.02468	1.6
117.03506	0.7
121.02979	4.7
123.00940	1.2
123.04530	1.8
125.02493	1.0
128.39812	0.7
129.01955	7.0
131.03598	0.6
133.02959	3.2
134.03795	6.7
135.04535	2.1
137.02495	0.7
145.02864	0.8
147.03035	0.9
147.04477	0.8
148.05316	1.1
149.02451	1.7
149.06085	1.5
151.04053	1.1
152.01167	100.0
153.01941	5.5
153.05582	2.0
160.01646	3.3
161.02519	3.9
163.04021	3.0
164.04811	1.4
173.00929	1.5
173.02455	1.0
174.03227	1.4
175.00371	1.3
175.03970	5.1
177.02100	0.9
178.02794	1.5
179.03528	3.0
182.02129	1.8
190.02721	2.8
191.01941	1.3
191.03566	0.9
191.07185	1.1
193.05086	6.4
197.04520	6.1
205.05077	4.9
217.05022	0.8
217.08646	1.7
223.05934	1.3
233.04605	1.1
241.07210	2.0
251.07161	1.6
261.07654	2.1
263.06967	1.1
263.09406	1.3
264.07990	1.2
265.08594	0.8
267.06796	5.4
268.07556	1.3
277.05051	0.8
279.06653	2.9
279.09845	0.8
280.07440	0.9
282.08963	1.1
283.09647	1.7
285.06274	1.3
291.08887	3.5
294.05545	1.8
295.06396	0.9
295.09641	1.0
306.05109	0.8
309.07690	2.3
321.07672	0.9
322.08701	1.0
323.05646	2.1
324.06287	1.3
326.08130	0.7
338.08038	1.8
339.08646	4.4
341.10391	1.8
353.10229	2.6
389.18100	2.0
399.09372	8.7
417.10419	26.7
418.10623	1.2
474.16547	0.8
635.15839	2.3
741.20496	8.3
742.21051	1.4
753.20233	7.0
754.21082	0.8
759.33728	0.7
771.21405	52.2
772.21619	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	771.2357
Annotation	Aragoside
Peak:m/z	Relative Intensity
54.05060	1.4
57.03424	1.5
59.01384	41.4
67.10859	1.6
69.79910	3.8
69.80267	3.2
71.01385	17.9
73.02950	17.9
78.27335	1.4
83.01385	3.4
85.02953	12.3
89.02454	9.2
95.01398	3.8
101.02480	12.9
109.02951	2.9
113.02461	16.8
117.03547	1.9
119.03522	3.3
119.05054	15.6
123.04546	10.3
131.03505	3.8
133.02974	40.7
134.03752	4.7
135.04536	56.6
136.04893	1.9
137.02454	2.0
143.03557	2.4
149.04491	1.7
150.03235	5.8
151.04013	19.7
161.02463	100.0
161.04579	5.7
162.02843	5.0
173.77576	1.6
179.03511	75.3
180.03862	3.9
191.05609	1.9
213.18474	1.6
267.28146	1.7
281.10324	21.6
283.05283	2.2
299.11301	6.6
341.12460	28.8
432.55328	1.7
590.22827	1.8
591.19403	3.2
624.50085	1.8
661.20068	4.6
753.22681	25.2
754.23004	4.3
771.23834	42.3
772.23267	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	771.2358
Annotation	Aragoside
Peak:m/z	Relative Intensity
56.75869	1.9
59.01384	5.8
61.44073	1.6
62.35319	1.4
62.48737	1.5
62.65726	1.5
69.13489	10.3
71.01372	5.8
79.35426	1.8
85.02965	6.2
89.02454	3.6
95.01382	2.5
95.05047	1.7
98.22705	3.3
99.53997	1.7
109.02951	3.1
113.02470	13.3
117.03472	2.1
119.39149	1.5
123.04549	12.4
131.03503	3.7
132.02208	4.0
133.02971	45.1
134.03740	5.9
135.04547	66.0
136.04836	2.2
149.02464	2.1
150.03215	7.7
151.04047	20.8
152.42661	1.5
161.02466	100.0
162.02780	4.9
179.03511	80.9
180.03888	2.8
591.19189	5.6
619.19031	3.3
635.32977	1.7
661.19714	4.6
753.22437	32.1
754.22510	4.3
771.23657	42.5
772.24036	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	771.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96690	1.1
58.58996	1.2
59.01382	5.7
69.35941	7.1
71.01392	5.8
83.01386	1.5
85.02973	8.0
87.00867	1.9
88.30676	1.1
89.02455	2.5
90.91117	1.4
94.26877	1.2
95.01418	3.5
96.66820	1.4
97.91201	1.3
98.21883	1.3
99.00857	1.4
101.02422	1.5
108.02214	1.3
109.02995	3.2
111.00953	1.8
113.02462	12.7
123.04545	7.7
131.03590	1.9
132.02179	3.1
133.02969	39.6
134.03714	4.6
135.04543	67.1
143.91315	1.4
149.02437	1.7
150.03244	6.8
151.00424	1.7
151.04059	18.7
152.01237	3.2
161.02458	100.0
162.02789	3.7
179.03514	77.1
180.03838	3.7
203.54547	1.4
209.02972	2.2
271.02591	2.4
300.02771	3.5
301.03464	2.0
341.08960	2.5
380.84009	1.3
409.07681	2.8
560.10272	1.4
591.19751	4.1
609.14740	3.5
619.18701	3.3
661.19714	2.7
753.22559	28.7
754.22662	2.1
771.23395	33.5
772.23865	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	771.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82953	1.1
55.01875	1.9
57.03438	1.5
59.01382	100.0
60.75146	1.1
61.98825	3.1
69.03456	2.9
69.26865	6.5
71.01390	31.1
73.02953	40.7
78.33971	1.1
81.03440	2.1
83.01392	10.3
85.02966	11.6
87.00886	6.6
89.02447	6.6
95.01402	2.1
97.02947	3.6
98.21874	2.3
99.04516	2.3
101.02448	38.6
107.05067	1.4
108.02174	4.1
109.02945	3.2
113.02458	17.7
119.03512	6.4
122.53710	1.3
124.01679	4.6
125.02456	14.3
126.03249	15.1
127.03957	1.6
131.03511	6.8
133.02946	4.0
135.04518	4.8
140.01178	13.9
143.03503	5.2
145.06569	3.4
147.81038	1.3
149.04527	8.2
157.06680	1.5
159.02986	1.6
161.02501	8.0
161.04578	17.2
173.06166	1.8
177.35188	1.3
179.03525	4.8
179.05600	4.1
180.03853	1.5
183.08138	1.7
185.06046	4.8
186.06868	2.2
197.09703	4.2
203.05618	13.1
208.79079	1.3
215.10724	3.4
221.06667	17.9
225.09206	7.6
233.06622	1.2
243.10248	8.7
257.11856	11.0
263.07712	23.2
274.12106	8.1
275.12943	23.2
305.08777	8.0
413.89026	1.3
469.00223	1.3
524.13995	2.9
566.15228	8.8
581.22272	2.3
599.23260	2.4
641.24860	6.1
771.25879	1.5
784.89075	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	771.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65660	1.9
57.03446	7.3
58.95714	1.7
59.01380	35.2
65.60621	1.7
67.73367	2.0
71.01395	30.6
72.50292	2.0
72.99290	3.5
73.02940	7.6
83.01390	3.3
85.02953	73.1
87.00887	4.9
89.02444	14.2
95.01394	6.6
97.02958	2.3
101.02438	6.8
111.00873	4.8
113.01727	3.5
113.02464	50.4
119.03541	3.1
121.02956	4.9
123.04529	19.5
129.01941	8.7
131.03522	8.6
133.02966	18.5
134.03792	2.4
135.04538	79.1
136.05386	11.0
137.06065	2.2
143.03514	2.2
147.02974	9.1
149.04488	3.0
153.05576	18.9
161.02477	40.0
161.04500	3.6
162.02824	3.4
163.04010	2.6
167.03482	7.8
173.00854	3.8
179.03493	24.1
181.05058	4.1
191.01968	7.8
191.05598	5.8
195.06625	29.1
209.08167	4.9
237.07718	2.2
261.05405	3.0
297.06415	3.8
297.09720	3.6
315.11044	4.7
341.05215	5.1
429.17615	3.6
461.16724	6.7
575.19702	4.2
593.20923	11.2
621.20313	6.2
623.19836	3.2
639.23376	7.9
649.97626	2.5
771.27100	100.0
772.27264	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	771.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.88982	0.4
57.03461	0.7
58.83148	0.4
59.01386	100.0
60.01739	0.4
62.81959	0.5
70.84363	0.7
71.01391	10.2
73.02959	4.4
83.01412	2.0
85.02964	5.9
87.00856	0.5
89.02455	3.0
95.01428	0.8
99.00891	1.5
101.02454	8.0
113.02462	4.2
123.04539	0.5
131.03603	0.6
133.02979	4.4
135.04538	3.8
149.04599	1.5
151.64079	0.4
161.02470	5.5
161.04547	4.2
177.02095	0.5
179.03520	4.3
179.05061	0.5
179.05557	0.4
179.34312	0.4
191.05707	0.5
214.44313	0.5
241.12711	0.5
251.42609	0.5
269.10336	11.9
311.11404	5.6
353.94345	0.4
593.21112	0.9
621.18530	0.7
753.23444	1.0
771.23669	2.6
772.22046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	38.4
61.98830	1.2
69.10953	3.2
71.01388	13.1
72.99317	0.6
73.02952	23.3
75.00867	0.5
81.03491	0.7
83.01385	5.9
84.02161	1.0
85.02960	4.3
89.02449	5.9
95.01392	1.4
99.00862	1.4
101.02454	20.2
108.02184	1.4
109.02970	2.4
113.01713	0.9
113.02458	10.3
119.03522	3.7
121.02953	2.3
122.03750	1.7
123.00892	1.7
123.04516	1.5
124.01690	0.6
125.02434	1.5
131.03490	1.9
131.93452	0.6
133.02959	0.9
134.03711	0.5
135.04556	1.2
136.01672	60.6
137.02483	7.7
139.04034	1.3
143.03543	3.3
145.03023	0.7
146.03821	0.5
147.04457	0.8
149.02463	1.5
149.04553	3.8
149.05795	0.5
151.00400	11.9
151.04018	64.6
152.01129	0.8
152.04596	2.3
155.03548	0.9
159.04515	1.2
160.05316	2.3
161.02455	1.7
161.04601	8.1
161.05945	0.8
162.03214	1.1
163.04027	1.6
164.04803	1.0
165.01912	0.7
166.02722	36.1
167.03392	2.1
173.02429	1.4
175.03989	3.0
175.07658	0.8
175.94273	0.5
176.04828	1.2
177.01889	1.8
177.05513	1.4
178.02750	0.5
179.03537	1.4
179.05591	1.8
179.07144	2.5
181.05081	40.1
182.05406	1.1
187.03967	1.0
188.04865	0.6
189.05553	1.4
190.06387	1.3
191.03539	1.9
191.05527	0.5
191.07175	1.0
192.04178	0.5
193.05135	1.4
195.03117	0.4
203.03616	0.4
203.05499	0.9
205.05064	2.6
205.08749	1.2
206.05821	3.3
207.06560	0.8
217.05101	0.5
219.06688	0.7
220.07538	0.7
221.04742	0.6
221.06361	0.9
221.08394	3.4
222.08568	0.5
233.08134	0.6
282.05338	0.7
297.07773	0.8
299.09290	0.5
309.07608	1.7
311.09323	1.0
324.09995	0.7
327.09015	0.6
329.10361	2.6
341.12680	1.2
342.11020	3.1
343.11389	0.6
354.11127	1.5
357.09717	16.6
357.13535	14.0
358.09836	0.8
358.13870	0.7
368.12341	0.6
369.13367	8.0
372.12158	10.1
373.12781	1.0
383.56171	0.6
387.14508	100.0
388.14883	4.1
681.25464	2.2
693.25696	1.8
699.26996	1.1
711.26489	8.8
712.26978	0.9
729.27631	3.6
771.28741	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	771.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	59.3
61.98839	66.2
62.93506	33.3
69.09164	37.0
69.81642	100.0
76.35835	29.0
109.39233	24.3
116.92916	28.8
118.62944	26.1
126.75868	28.5
223.13483	54.1
277.21805	32.7
293.21234	44.1
366.81927	36.6
638.45313	31.2
699.77289	32.2
737.53375	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	0.7
78.95916	4.7
79.93121	0.4
79.95747	3.3
83.72372	0.4
94.92516	1.9
96.92227	3.3
96.96017	100.0
96.96907	5.2
98.21889	1.2
98.22572	2.2
116.74976	0.4
277.21817	1.1
361.04401	0.8
363.67355	0.5
379.93414	0.5
421.46786	0.6
435.08008	0.8
451.77719	0.5
453.09283	2.7
485.01373	0.5
519.58081	0.5
713.31067	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	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87938	0.6
69.17844	3.3
71.01404	0.6
76.68312	0.6
78.23214	0.5
78.95911	3.8
79.95738	3.1
94.92521	2.0
96.92222	2.6
96.96021	100.0
96.96902	5.0
119.52055	0.5
140.57101	0.5
167.93571	0.6
256.01505	0.6
277.21759	1.1
375.18417	0.6
397.13324	1.1
435.08322	1.0
453.09415	2.0
537.81201	0.6
593.27313	0.7
713.30865	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	774.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49786	2.9
72.04552	10.2
82.02989	51.5
83.03322	0.8
98.02485	20.0
99.02813	0.7
99.75064	0.6
100.04055	24.9
105.52957	0.6
113.67727	0.5
118.07311	0.6
119.05035	26.7
120.05388	0.7
123.13947	0.6
140.61690	0.5
174.26227	0.7
192.10297	3.2
218.08208	6.2
219.81171	0.5
220.09795	12.0
264.08780	100.0
265.09198	3.7
274.50989	0.6
419.45868	0.8
735.09869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47056	0.5
55.01870	0.6
57.03450	0.8
58.99136	0.5
59.01383	8.7
59.66878	0.5
62.39150	0.5
67.08704	0.5
69.29848	3.0
71.01395	6.4
72.83904	0.5
73.02966	0.8
85.02951	4.8
87.00876	1.9
89.02444	3.6
91.21262	0.5
94.58292	0.6
95.01393	1.5
98.22765	0.9
99.00902	0.5
101.02457	2.0
103.17477	0.5
105.03503	0.6
113.02467	9.1
117.03500	3.2
117.04188	0.7
119.05047	2.9
123.04533	0.6
128.03349	0.6
131.03516	2.3
132.02188	1.4
133.02972	38.7
134.03639	1.1
135.04546	12.2
145.02988	4.6
161.02460	100.0
162.02821	3.6
163.04025	1.5
164.48152	0.5
176.89471	0.5
179.03531	7.2
191.05762	1.0
193.08621	0.5
468.43555	0.6
497.68707	0.7
577.21448	1.8
739.24603	63.2
740.24872	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	775.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69579	1.1
59.01378	5.2
59.89098	1.2
61.98814	1.7
65.62293	1.2
71.01395	12.1
71.38759	1.8
72.99288	2.1
78.87159	1.2
85.02937	3.5
95.15948	1.2
96.96034	1.6
100.51528	1.1
110.06123	1.3
111.57776	1.2
113.02495	1.5
114.99690	1.5
115.00398	18.5
122.06139	9.0
133.01439	30.9
133.02933	1.4
134.03738	1.6
134.06044	2.0
135.04539	2.3
161.02414	2.0
179.03426	1.6
193.05016	1.9
251.08290	2.8
263.08231	9.5
265.09906	3.1
275.08145	1.3
276.09070	2.7
277.09766	10.6
278.10532	8.1
279.11255	3.6
291.07800	48.7
292.08359	3.8
304.08801	1.1
305.09366	12.0
306.10123	55.9
307.10779	11.0
308.08109	1.6
310.09686	1.6
311.10156	1.3
321.12375	3.8
337.11945	3.4
338.08966	1.8
338.12961	2.3
350.09088	93.6
351.09418	5.0
356.14203	2.1
365.11462	9.7
366.12006	2.1
368.13983	2.8
380.10364	3.0
382.15610	2.6
395.12677	1.7
396.13516	13.6
397.13766	2.4
398.14896	2.1
410.14963	4.5
411.16049	10.3
412.16412	2.6
416.16156	3.2
428.15967	6.1
443.14630	2.4
446.17145	9.4
447.17447	1.9
448.18585	1.6
455.14957	3.2
460.18735	4.0
474.20447	1.7
478.20078	3.5
487.17404	4.7
490.16232	24.1
491.16400	2.6
492.21567	3.8
493.22171	2.6
505.18497	10.8
522.18884	8.4
533.22186	2.5
537.20990	10.6
538.21631	2.2
551.22913	11.0
565.24597	3.1
583.25665	9.0
595.21954	7.3
615.28156	4.3
627.24622	100.0
628.24786	9.1
641.25568	2.4
659.27258	72.6
660.27509	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	12.6
62.51883	6.0
62.62637	5.9
65.10553	5.7
70.19006	14.7
71.01393	6.2
101.02469	8.1
104.57991	7.1
109.06599	8.9
109.64896	5.8
145.52673	6.7
157.38373	6.6
162.20074	5.9
163.85092	6.5
171.10275	17.8
199.09779	35.9
207.10309	41.2
207.15886	6.1
225.11337	32.1
235.08308	11.0
253.09222	17.3
267.06339	7.6
277.21722	100.0
278.21957	8.2
362.07721	6.8
435.18683	8.8
441.29175	6.4
443.19116	11.9
461.20425	20.3
695.40192	58.9
696.39948	7.3
721.41699	31.4
775.40375	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	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	13.4
61.98812	7.4
64.48825	5.5
69.20304	27.3
98.21952	10.2
120.74522	5.9
171.10281	14.0
199.09776	12.2
207.10268	20.4
225.11415	14.9
235.08394	9.0
253.09282	11.5
277.21771	100.0
469.54346	6.0
654.57117	5.8
695.39838	41.3
721.41766	23.7
775.40216	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	775.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97002	100.0
78.63979	26.5
78.81535	25.3
102.38822	32.3
104.41543	36.3
128.93541	26.5
140.49840	29.5
157.31306	26.8
354.65698	30.1
373.12161	29.3
619.79620	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
71.01385	0.2
78.95908	2.5
79.95747	3.5
85.02953	0.3
87.00900	0.1
94.98065	0.2
96.96019	100.0
96.96896	3.1
97.95952	0.3
101.02448	0.1
111.00888	0.1
113.02463	0.3
114.71316	0.1
131.88538	0.1
132.02148	0.2
133.02959	1.9
134.03693	0.2
135.04544	1.5
138.01967	0.1
158.07758	0.1
160.01663	0.2
161.02467	3.9
162.02866	0.3
164.03615	0.1
179.03494	1.6
180.03888	0.1
193.05090	0.1
378.70447	0.1
678.71698	0.1
759.23083	0.6
759.73505	0.5
760.23273	0.3
775.48773	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	776.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.0
62.22061	2.4
68.99826	5.5
71.01390	22.8
71.38947	2.8
73.02926	3.6
83.01392	3.2
85.02947	8.0
87.92531	9.0
89.02444	5.2
90.94903	3.0
99.00900	25.9
101.02443	4.6
103.92027	7.8
104.92812	5.7
113.02453	4.3
114.94909	18.6
127.71340	2.7
130.94368	3.0
135.13126	2.3
140.96387	2.4
154.10582	2.3
156.95955	4.8
163.03981	3.8
168.95944	3.6
171.94687	31.1
172.95436	16.2
184.95418	12.3
196.95282	3.1
198.97073	5.9
199.94106	3.3
208.99173	2.9
212.94890	5.4
213.95697	5.3
225.95703	3.7
236.98560	4.4
240.98021	4.0
252.98102	3.4
273.97949	16.1
286.98557	3.9
294.99072	3.6
299.99506	5.0
353.71466	2.7
376.01105	13.1
399.47363	2.6
414.02551	6.3
415.03235	6.2
447.02161	10.6
474.04651	11.6
576.07782	26.5
776.14746	100.0
777.14880	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	777.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03436	1.2
59.01385	7.1
69.03475	0.8
71.01392	7.1
71.38715	0.7
72.99313	1.6
73.02939	3.6
74.21461	0.7
77.36205	0.6
83.01374	2.0
85.02955	6.2
86.00083	0.8
89.02483	0.9
97.03001	1.5
99.00903	1.6
101.02443	8.3
108.02182	62.7
109.02977	14.4
113.02466	3.6
121.02931	1.2
125.02455	1.5
133.02974	1.0
134.03673	1.0
135.04529	1.9
151.00452	0.8
151.04004	1.2
152.01161	100.0
153.01942	7.9
161.02408	1.3
161.04599	1.5
163.03996	3.6
177.01871	1.0
179.03506	1.3
207.02975	0.9
312.46951	0.7
315.07205	1.1
347.16983	2.3
352.71323	0.8
429.10321	8.2
447.11508	3.5
481.44614	0.8
533.89203	0.7
777.28284	76.9
778.28619	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	777.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33256	7.9
59.01387	38.2
61.98833	18.5
71.01396	12.8
71.04222	13.5
84.35435	7.5
85.02956	36.4
87.71439	8.5
122.06107	48.5
133.02892	9.5
134.06099	7.8
135.04572	11.1
137.02400	8.8
152.67650	8.4
161.02386	15.8
169.80809	7.2
239.11842	14.5
241.09599	19.2
249.10275	10.6
251.11914	15.1
256.11902	11.0
265.09747	16.3
276.09082	10.1
277.09781	18.4
278.10629	14.6
279.11337	29.4
291.07730	13.3
293.08975	8.6
293.13120	10.5
293.27621	8.0
307.10843	8.6
315.13531	26.9
316.13916	23.8
336.11105	13.9
337.11960	14.4
338.12711	12.6
351.13220	11.9
384.17221	12.6
386.14954	10.0
396.13419	13.2
410.14798	12.2
411.15857	13.4
428.16306	16.0
443.18689	9.6
460.18790	31.2
474.19757	11.7
492.21350	9.8
504.17719	75.5
518.19208	18.9
519.19958	33.4
534.22083	8.3
550.22131	17.8
564.19806	22.5
565.24438	35.2
578.21417	11.1
579.22363	9.9
597.27167	11.7
609.23651	75.6
610.23883	12.2
615.28082	36.4
639.28369	23.2
641.26117	100.0
642.26086	19.1
669.25897	13.9
673.28564	20.9
701.28021	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	777.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
71.01390	13.9
77.03461	1.0
94.06581	1.2
98.22730	1.4
106.06632	1.1
107.03777	1.1
110.06141	5.5
115.00391	13.6
121.05331	2.7
122.06129	21.6
133.01410	4.4
134.06140	4.1
144.04558	1.9
160.04117	1.3
160.06406	2.2
161.04825	3.1
162.05540	1.2
174.05614	4.3
180.06715	2.5
186.90785	1.0
203.05957	2.0
203.11911	1.2
213.10321	14.2
215.11946	2.0
223.08878	1.3
225.10425	2.1
226.11176	2.1
237.10239	1.8
239.11887	13.3
241.13443	11.8
248.09630	0.9
251.08328	1.4
251.11887	4.4
261.10208	1.3
263.08344	1.0
263.11899	1.5
264.09073	6.0
265.09830	5.2
266.10352	1.4
267.11227	1.8
276.08932	1.8
277.09821	2.4
278.06989	1.2
278.10504	1.7
279.08069	1.7
279.11377	7.5
279.23975	1.1
280.11987	1.9
281.12823	1.8
283.10895	1.8
285.12451	40.5
286.12863	2.0
289.09836	1.7
290.10602	2.3
291.08093	1.6
291.11368	6.0
292.08517	8.3
293.09357	4.7
293.12976	4.9
294.10144	1.3
301.12018	1.2
305.09225	1.6
306.10104	4.0
307.10898	25.6
308.11600	12.1
311.10425	2.5
312.10934	1.5
325.11960	1.6
330.16174	1.4
340.10526	1.1
343.13275	2.2
344.17630	1.7
345.18457	1.3
350.09067	9.6
351.09863	26.6
352.10443	4.2
354.16333	1.1
356.14001	2.3
357.14734	1.0
365.11264	2.6
368.17569	1.8
370.11609	1.4
370.15637	7.9
371.16290	4.6
372.17075	2.9
383.12378	1.1
384.13412	2.4
388.16818	1.1
397.14053	1.2
398.15115	9.7
403.15317	1.8
412.16617	6.6
413.17426	9.1
429.16782	1.3
430.17825	6.9
444.19113	1.6
447.18201	2.6
448.18649	3.7
456.15060	1.7
457.15991	1.4
474.16772	3.0
491.17160	2.7
492.17764	8.8
493.22546	2.3
506.19339	8.0
511.23212	1.9
520.21509	1.3
524.20337	1.7
535.23584	5.2
538.22034	37.2
539.22217	3.2
553.24646	23.6
554.25140	2.0
579.22559	1.8
585.27130	4.4
597.23523	28.5
598.24005	2.5
611.25037	3.5
629.26208	95.6
630.26477	12.4
643.27795	1.7
661.28851	100.0
662.28894	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	777.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.5
61.98816	3.7
69.15555	7.5
71.01389	16.5
78.28594	1.3
85.02946	2.6
89.02453	2.0
96.96080	1.3
101.02435	2.4
107.03781	1.6
110.06102	4.0
115.00369	16.6
120.04572	2.3
120.08199	2.2
122.06115	17.0
133.01433	3.9
134.06107	5.2
136.07663	1.5
171.10313	2.6
174.05563	4.0
180.06656	2.1
188.03558	1.3
188.07143	2.7
203.05708	1.7
213.10394	6.5
237.10292	2.8
239.11903	12.3
241.13438	6.0
247.08786	1.6
249.10313	1.8
251.08040	2.0
251.11864	5.0
253.05000	1.3
263.08163	2.6
263.11951	3.0
264.09076	8.3
265.09976	6.6
266.10510	1.9
267.11441	1.8
277.09915	3.2
278.10440	2.7
279.08069	1.8
279.11340	14.6
285.12460	16.5
291.07950	3.0
291.11395	4.2
292.08600	17.4
292.11832	2.8
293.09525	2.9
293.12936	4.2
306.10089	6.0
307.10904	44.0
308.11465	7.0
311.10428	1.6
321.12494	3.9
339.13696	1.5
340.10928	1.7
350.09006	14.2
351.09866	51.7
351.14178	3.2
352.10245	4.9
357.15268	1.9
365.11340	3.1
370.15591	3.3
372.17175	3.0
383.12808	2.9
384.13171	1.7
398.15131	4.2
402.14291	1.9
410.07816	1.4
412.16513	3.3
413.17477	4.4
430.17624	5.4
447.17914	3.8
448.18518	3.3
476.22000	3.1
480.86566	1.4
491.16855	5.0
492.17596	5.7
506.19241	18.1
520.21497	3.1
524.20428	3.8
535.23682	2.2
538.21997	100.0
539.22357	4.8
553.24933	7.8
583.25623	4.0
597.26257	12.7
598.12061	1.5
615.27979	3.8
629.26202	49.3
630.26141	4.8
661.28821	64.6
661.39996	3.1
662.29205	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	777.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65483	1.5
57.75382	1.7
59.01388	16.1
60.34261	1.5
61.98837	8.3
69.16243	12.5
71.01389	11.7
80.16522	1.8
85.02953	5.5
87.00932	2.9
89.02470	3.9
96.96033	2.5
101.02438	4.0
115.00373	6.5
116.92878	2.1
119.03534	2.2
120.08205	5.9
122.06135	14.9
124.07730	2.3
133.03021	2.6
134.06181	2.6
135.04597	2.1
158.48567	1.8
161.02486	2.9
161.04628	2.3
171.10257	4.9
174.05632	4.6
176.07039	2.4
179.03545	2.8
180.06758	1.8
188.07216	1.8
203.05994	2.8
207.10246	2.7
213.10329	2.0
222.07961	2.4
223.58633	2.4
237.10457	3.4
239.11922	4.6
241.13564	2.6
249.10434	2.9
249.13957	2.1
250.11197	2.2
251.11908	7.9
263.08420	4.1
263.11752	1.8
264.08984	6.7
265.09848	4.6
277.09943	7.4
278.10800	4.5
279.11395	7.0
285.12442	7.7
291.11337	10.6
292.08612	5.0
292.12210	7.0
293.09479	2.0
293.12827	10.5
294.13342	2.4
307.10822	12.2
319.10843	10.4
327.13513	2.3
350.09064	4.2
351.09766	15.1
351.13531	4.1
352.10474	3.3
352.14276	4.4
354.79602	1.9
370.11716	4.3
372.17236	2.9
373.18002	3.3
374.18713	3.7
384.13409	5.2
385.14301	4.8
398.15176	5.1
399.15860	3.2
412.16653	3.1
414.18283	4.1
416.19824	3.2
420.19315	2.5
426.14597	5.5
460.18274	4.0
473.19516	12.2
474.20288	3.9
475.20648	2.9
476.21838	18.1
491.17252	2.5
492.21863	12.8
497.25507	2.9
505.18658	2.6
506.19211	2.6
538.21881	19.2
539.26660	7.2
543.26575	2.5
559.77545	1.7
565.24988	1.9
583.25549	15.3
597.27277	100.0
598.27435	8.1
615.28204	31.8
625.87115	2.2
629.26123	10.3
657.29218	4.6
661.28247	13.7
662.29022	2.5
806.92499	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	777.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19122	1.1
59.01390	13.0
59.60933	1.1
61.98823	2.8
62.36951	1.1
66.57238	1.4
69.64501	2.5
69.64890	2.3
71.01374	7.0
82.95451	1.3
85.02972	2.7
89.02467	4.3
94.06635	1.7
101.02469	2.7
113.02460	2.7
116.92880	7.8
120.08250	2.4
122.06138	10.2
124.07702	3.0
133.02988	2.0
134.03729	1.3
134.06161	1.8
135.04576	1.8
161.02435	2.0
171.10283	1.8
174.05623	3.7
187.34953	1.2
188.07257	1.8
203.05701	2.0
207.10149	1.3
217.07533	1.2
223.08737	1.7
236.09604	2.4
237.10284	4.1
239.11905	1.9
241.13419	2.2
249.14001	1.3
251.11899	9.8
253.09517	1.2
263.08286	2.1
263.11914	2.1
264.08984	3.9
265.09863	3.0
276.09003	2.4
277.09848	5.5
278.10611	4.1
279.11420	2.5
291.11523	8.0
292.12109	4.6
293.12952	10.3
296.11801	1.8
297.12390	2.2
309.08777	1.6
310.09549	1.6
319.10989	11.3
320.11520	2.9
336.11118	1.4
342.12531	2.8
346.15396	1.6
351.13602	5.4
352.14294	5.0
357.14944	1.7
358.15720	2.2
366.12405	2.2
370.11990	5.5
372.17227	3.1
373.18161	3.2
374.18704	4.4
384.13303	5.6
385.14105	6.1
386.14899	2.5
397.17688	1.4
398.15146	3.8
399.15967	2.8
400.16724	3.8
412.16537	1.6
414.18216	5.3
416.19635	3.4
418.17664	1.8
420.19223	3.6
426.14551	5.9
441.17151	2.0
458.17526	2.2
460.18756	2.3
473.19669	13.4
474.19946	4.9
476.21933	21.8
492.21323	6.7
497.25464	7.1
505.18280	2.9
523.23560	4.2
539.26971	4.9
565.24506	5.1
571.29333	1.8
583.25537	8.7
597.27228	100.0
598.27551	11.7
615.28241	23.1
616.28918	3.0
657.29053	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	777.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43011	4.8
56.34440	3.6
59.01389	5.4
61.98836	9.3
76.62334	4.0
90.61428	3.9
103.18165	4.1
201.11324	38.7
207.10172	4.2
209.11835	76.1
220.74718	4.6
223.13483	6.9
227.12859	25.0
235.08289	10.2
253.09387	16.1
277.21750	100.0
278.22009	8.0
293.21179	8.3
419.19150	6.4
437.20468	6.9
445.20825	9.1
513.30566	7.6
574.70923	4.3
697.42102	5.3
749.04956	4.5
777.41180	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	779.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.8
69.13715	1.0
69.14111	2.0
71.01390	4.4
73.02953	1.4
74.43411	0.4
83.01369	0.6
85.02948	2.4
87.00883	1.8
89.02462	1.6
95.41988	0.5
98.21906	0.9
101.02435	3.2
103.04042	0.8
113.02470	1.8
114.38641	0.4
117.03478	34.5
118.03827	1.0
119.05042	21.8
120.05297	0.5
125.02455	0.6
127.04042	0.6
131.03508	1.9
132.02156	1.1
133.02934	2.0
134.03703	1.1
135.04530	1.6
143.05046	1.6
145.02965	100.0
146.03308	3.3
149.04584	0.6
160.01675	2.9
161.02448	3.9
161.04584	1.4
161.05957	0.5
162.03072	0.4
163.04028	23.1
164.04382	0.5
175.03995	4.3
179.03511	1.3
187.04051	0.6
191.05627	1.4
193.05070	1.6
205.05083	1.9
269.10287	1.5
272.85675	0.4
379.14206	0.7
457.16776	0.6
547.20306	1.6
589.21600	1.3
651.22961	3.1
652.23895	0.6
657.66223	0.5
735.25073	24.1
736.25763	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	779.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98813	3.8
69.17329	7.1
69.17734	4.0
83.05104	2.0
92.45120	1.9
98.22431	9.7
102.95688	4.0
103.00409	4.8
103.01505	70.8
107.59961	2.2
171.69293	2.0
180.39241	2.2
194.73816	2.0
387.33389	2.0
432.83557	2.0
632.87451	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	779.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98821	1.3
70.29140	3.9
74.29943	1.4
75.00891	2.9
102.95686	4.2
103.00387	4.7
103.01508	75.3
126.51794	1.4
153.68712	1.3
162.89902	1.3
170.85814	1.3
430.16559	1.4
544.15955	1.5
661.92194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01382	9.7
69.19313	1.4
69.19712	2.1
71.01383	6.8
73.02953	2.1
75.46606	0.6
83.01387	1.2
85.02950	7.6
87.00853	1.0
89.02454	3.2
95.01391	2.2
98.21820	1.0
101.02453	2.6
102.82662	0.6
108.02201	0.7
111.00907	1.2
113.02452	12.2
114.03897	0.5
117.03487	1.2
119.03566	0.8
129.01965	1.5
132.02187	21.0
132.03185	1.2
133.02991	2.9
134.03758	17.8
135.04597	2.8
143.03513	0.7
149.06090	2.3
152.04778	1.0
160.01674	82.3
161.02451	6.7
167.03520	0.6
167.07161	2.4
175.04016	100.0
176.04385	2.6
178.02769	1.2
179.03546	3.6
193.05074	12.2
312.17267	0.6
329.12344	1.2
369.29388	0.6
475.18323	5.3
651.22998	56.3
652.23462	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	781.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.6
69.24726	1.1
69.25131	2.1
71.01387	3.0
71.18771	0.5
73.02931	0.9
74.31833	0.5
83.01421	0.7
85.02979	1.7
89.02466	1.0
89.03992	2.3
99.00925	1.1
101.02441	1.8
110.83192	0.5
113.02473	1.1
115.00336	0.7
117.03481	5.6
119.03521	0.5
121.02979	0.6
132.02197	3.2
133.02957	1.8
134.03752	79.3
135.04245	2.2
137.02444	1.0
149.06100	7.1
150.03244	1.2
160.01668	6.9
161.02415	1.7
162.66451	0.5
165.05495	0.5
175.04012	9.9
178.02722	1.4
179.03481	1.8
189.41675	0.5
193.05069	100.0
194.05365	3.8
209.04523	1.0
312.33185	0.5
334.17966	0.5
345.15454	0.7
485.61429	0.7
501.23407	1.0
543.24243	1.4
561.25189	0.8
665.30957	0.7
681.27386	1.3
737.30438	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	781.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.6
69.24726	1.1
69.25131	2.1
71.01387	3.0
71.18771	0.5
73.02931	0.9
74.31833	0.5
83.01421	0.7
85.02979	1.7
89.02466	1.0
89.03992	2.3
99.00925	1.1
101.02441	1.8
110.83192	0.5
113.02473	1.1
115.00336	0.7
117.03481	5.6
119.03521	0.5
121.02979	0.6
132.02197	3.2
133.02957	1.8
134.03752	79.3
135.04245	2.2
137.02444	1.0
149.06100	7.1
150.03244	1.2
160.01668	6.9
161.02415	1.7
162.66451	0.5
165.05495	0.5
175.04012	9.9
178.02722	1.4
179.03481	1.8
189.41675	0.5
193.05069	100.0
194.05365	3.8
209.04523	1.0
312.33185	0.5
334.17966	0.5
345.15454	0.7
485.61429	0.7
501.23407	1.0
543.24243	1.4
561.25189	0.8
665.30957	0.7
681.27386	1.3
737.30438	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	781.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.6
69.24726	1.1
69.25131	2.1
71.01387	3.0
71.18771	0.5
73.02931	0.9
74.31833	0.5
83.01421	0.7
85.02979	1.7
89.02466	1.0
89.03992	2.3
99.00925	1.1
101.02441	1.8
110.83192	0.5
113.02473	1.1
115.00336	0.7
117.03481	5.6
119.03521	0.5
121.02979	0.6
132.02197	3.2
133.02957	1.8
134.03752	79.3
135.04245	2.2
137.02444	1.0
149.06100	7.1
150.03244	1.2
160.01668	6.9
161.02415	1.7
162.66451	0.5
165.05495	0.5
175.04012	9.9
178.02722	1.4
179.03481	1.8
189.41675	0.5
193.05069	100.0
194.05365	3.8
209.04523	1.0
312.33185	0.5
334.17966	0.5
345.15454	0.7
485.61429	0.7
501.23407	1.0
543.24243	1.4
561.25189	0.8
665.30957	0.7
681.27386	1.3
737.30438	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	781.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43892	1.1
59.01380	12.3
67.41189	1.0
71.01389	4.9
73.02962	1.6
76.77506	1.1
78.01154	1.4
81.03443	2.9
82.00596	1.4
83.01376	1.8
85.02981	5.4
87.00882	1.3
89.00361	2.4
89.02436	1.4
92.67480	1.3
93.03483	1.3
95.01374	1.7
97.02970	1.6
98.21812	2.5
99.00888	1.9
101.02454	3.7
106.00578	3.3
109.02959	6.3
109.03642	1.3
110.00130	2.7
113.02451	3.0
115.00378	2.0
121.02965	34.5
122.00121	4.7
123.00915	6.4
125.02470	2.4
125.09724	7.2
125.99588	3.4
133.01495	1.8
133.02956	4.4
134.03815	3.8
135.04533	17.7
137.02458	41.6
137.99588	4.5
138.03189	3.7
139.00438	1.6
139.04062	1.3
141.01877	1.4
152.04890	1.7
153.01970	3.4
153.05583	29.1
153.99051	2.5
155.03510	9.8
161.02432	13.3
179.03503	8.4
181.01428	9.4
182.02260	1.8
193.05096	2.3
196.03738	9.1
197.04562	56.8
205.08801	1.8
229.07243	1.2
267.11728	1.4
277.14700	1.3
332.77261	1.4
460.63019	1.2
500.05005	1.5
612.04077	1.4
677.31531	1.8
681.27386	6.2
695.32782	5.2
737.33929	100.0
738.34454	12.9
762.10205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.52
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78997	0.3
59.01385	100.0
60.01722	0.7
69.15350	1.3
69.15755	0.7
71.01397	1.2
74.65244	0.3
75.00883	3.9
85.02972	0.8
87.00884	0.4
88.98814	0.4
89.02500	0.3
95.01360	0.5
98.21957	0.7
101.02444	0.9
101.73418	0.3
103.00490	8.7
103.01505	87.3
105.03514	0.3
109.02958	0.4
113.02444	1.8
117.67872	0.3
123.04531	0.4
132.02177	0.7
133.02968	6.1
134.03723	1.5
135.04549	6.9
137.02422	0.7
149.02419	0.5
149.06044	0.5
150.03300	0.5
160.01682	1.9
161.02457	11.1
162.02771	0.7
165.01881	1.1
174.95248	0.4
175.03967	1.4
178.02704	0.3
179.03514	6.3
180.03854	0.5
193.05019	1.4
200.20216	0.3
234.50349	0.4
250.65562	0.4
283.40726	0.3
489.69714	0.4
637.21075	1.3
677.49567	2.2
678.49164	0.7
705.17529	0.4
767.55383	0.5
781.22198	1.0
781.73425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35725	3.6
56.54986	3.8
57.48896	3.5
59.01383	78.5
60.08990	4.1
69.03477	4.3
71.01392	60.0
73.02950	23.1
73.82493	3.6
78.95952	3.8
83.01408	5.2
85.02956	11.1
87.00867	19.7
89.02444	70.4
89.02962	6.1
95.01395	4.5
97.02949	6.2
99.92587	8.0
101.02461	56.1
113.02443	27.9
115.00408	4.5
116.92870	88.7
116.97395	4.2
117.01963	13.8
119.03522	20.1
125.02461	6.5
143.03511	16.6
144.06718	3.8
161.04578	7.6
177.97527	3.5
178.19594	3.8
179.05634	43.0
203.05640	7.5
217.30656	4.0
221.06677	14.7
271.65640	3.8
323.09744	4.5
341.10919	26.6
383.11957	63.2
443.14142	13.1
485.15067	13.3
503.15848	5.1
603.13806	4.9
665.21490	100.0
666.21289	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	782.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36332	3.3
58.10812	2.9
59.01385	3.9
69.51012	3.0
69.56911	7.0
80.96514	7.3
98.22661	5.6
103.69363	2.6
120.80186	2.8
162.48135	2.6
183.13705	3.3
192.24364	3.1
195.19040	3.5
211.13423	80.9
225.00926	3.6
253.09192	9.6
277.21753	100.0
380.03125	3.6
438.91647	3.9
447.22308	5.5
463.09027	3.3
548.67609	2.8
783.41284	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	783.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01389	3.5
69.15381	2.7
70.07296	0.4
71.01386	3.7
72.99298	0.4
73.02925	0.6
85.02950	4.7
89.02470	1.9
91.05569	0.5
95.01416	1.2
101.02423	0.5
107.05050	1.6
111.39864	0.5
113.02462	7.0
117.03501	1.0
121.02946	0.9
131.03528	1.6
132.02191	1.6
133.02969	18.9
134.03772	8.9
135.04539	78.4
136.04871	1.6
137.02444	2.3
139.04022	0.5
149.02481	2.4
149.04521	0.9
151.03967	1.0
160.01683	0.6
161.02464	42.3
161.04620	1.4
162.02753	2.2
165.01915	1.7
166.02721	1.2
175.04074	0.7
178.02679	0.7
179.03513	100.0
180.03848	3.7
181.05046	1.2
191.05653	1.0
193.05060	5.5
194.05435	0.8
211.01202	0.4
233.04518	0.6
233.06699	0.8
235.42842	0.5
245.04642	0.6
323.07883	0.5
619.18640	2.5
621.20581	2.7
653.21899	1.3
783.23517	12.8
783.77972	0.5
784.24365	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	783.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
60.01172	0.9
67.11163	0.8
67.12741	0.9
71.01398	6.3
71.25548	0.9
72.99314	1.0
74.92550	0.8
76.45920	0.9
85.02959	7.4
89.02456	1.9
95.01418	2.7
95.05034	0.9
98.21868	1.9
101.02461	1.1
105.03439	1.4
107.05006	1.4
108.02186	0.8
113.02471	10.3
117.03476	1.4
121.02992	1.0
123.04561	8.1
131.03535	2.0
132.02220	2.6
133.02980	43.9
134.03806	5.4
135.04538	70.3
137.02374	1.1
149.02463	2.6
150.03281	4.2
151.04030	12.9
160.01649	1.8
161.02464	100.0
162.02858	2.2
163.04066	9.0
165.01974	1.4
175.04004	1.2
177.01866	1.2
179.03513	80.9
180.03853	1.7
191.05685	1.0
193.05020	2.2
203.03542	1.4
221.78162	0.9
312.44263	1.1
363.09052	1.0
459.15039	1.9
487.14734	4.0
489.16034	1.1
621.18298	37.6
622.18658	3.7
653.20984	24.3
654.21252	2.3
693.09869	1.0
751.20575	1.4
783.23468	19.3
784.24207	2.4
791.38177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
65.64602	0.8
65.89916	0.7
69.10316	4.3
71.01383	3.9
79.22038	0.6
85.02948	4.5
89.02438	1.3
90.25611	0.6
95.01398	1.8
105.03468	1.8
107.10468	0.6
109.02945	1.7
113.02466	8.3
116.92853	1.1
117.03466	0.8
123.04537	8.9
132.02177	2.3
133.02969	37.0
134.03693	2.3
135.04538	46.1
136.04890	1.3
137.02457	0.9
149.02443	1.0
150.03235	5.8
151.04034	15.4
160.01619	1.4
161.02461	100.0
162.02824	2.8
167.11086	0.6
172.71751	0.6
175.04047	1.2
177.05719	0.7
179.03511	53.8
180.03835	1.8
181.16985	0.6
198.19473	0.7
203.03535	0.8
268.16864	0.7
459.15054	2.6
487.14655	5.1
488.14163	0.8
621.18286	44.0
622.18671	4.1
653.20923	31.3
654.21570	5.1
708.93768	0.7
783.23914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03653	5.2
56.65094	4.6
58.25888	5.4
59.01386	85.7
61.98831	11.0
71.01379	44.6
73.02953	62.8
83.01403	10.0
85.02950	25.4
88.37841	4.7
89.02439	8.9
96.96045	12.7
101.02460	51.4
113.02438	11.9
115.00348	9.6
131.03522	7.0
133.02968	11.4
135.04478	8.5
136.01762	9.5
144.03107	5.9
149.04559	8.4
153.09241	38.6
161.02441	16.0
161.04504	9.1
175.03967	5.5
179.03459	6.7
197.08218	16.5
209.03120	6.6
253.05040	9.8
260.39319	5.3
265.05148	6.6
274.92157	5.6
280.21442	5.9
281.04614	19.9
296.06882	16.9
313.67722	5.7
373.14670	5.8
449.70926	7.7
487.14151	8.5
502.16306	11.6
517.18689	100.0
602.34863	5.8
623.23639	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	783.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36649	0.5
59.01385	6.0
69.61227	2.2
71.01388	13.6
71.67861	0.5
73.02930	0.6
85.02946	1.0
89.03956	1.3
115.00389	6.5
117.03456	4.6
129.90282	0.6
133.02986	0.7
134.03754	54.3
135.04070	1.3
137.02490	0.6
149.06099	5.9
178.02744	5.0
193.05070	100.0
194.05396	3.3
223.50539	0.6
226.77551	0.6
231.15161	0.6
266.22433	0.6
275.66916	0.6
305.15997	0.7
309.06171	3.8
389.16458	0.6
428.19312	0.6
798.13513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.3
59.03628	1.6
61.98835	2.0
65.01013	2.6
66.09660	1.8
66.82214	1.5
69.03452	2.5
69.36815	9.3
71.01393	21.0
72.99314	2.1
73.02964	4.1
73.83649	2.0
85.02953	14.9
87.00883	4.3
89.02443	8.6
89.03989	2.5
95.01383	5.4
101.02448	3.4
112.40389	1.7
113.02462	25.4
116.92912	2.5
117.03470	3.5
131.03517	4.8
132.02208	24.6
133.02975	19.4
134.03767	52.8
135.04565	25.0
137.02507	2.2
149.04596	1.8
149.06085	6.3
152.04700	2.4
160.01675	91.3
161.01094	2.9
161.02469	46.8
162.02818	4.7
175.04015	100.0
176.04382	2.8
178.02759	3.2
179.03510	27.1
191.05656	4.1
193.05081	42.7
195.12717	1.9
235.04219	3.4
261.31686	1.9
265.07077	5.3
315.27817	1.8
337.09357	2.5
499.71167	1.9
505.17621	4.0
529.22296	2.1
559.00433	2.3
607.22546	10.0
651.23059	6.0
701.76099	2.1
782.73712	2.6
783.27075	77.9
784.27466	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	783.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03451	1.9
57.62305	0.5
59.01382	15.6
69.03447	0.9
69.47076	2.5
71.01388	15.2
72.99301	1.0
73.02952	1.2
81.03455	1.4
83.01399	1.1
85.02958	13.1
87.89114	0.5
89.02452	7.5
89.03973	1.4
95.01388	4.4
97.02953	0.6
98.27538	0.5
99.00907	0.7
101.02438	3.3
113.02457	23.2
117.03469	4.1
119.03535	1.5
122.03748	1.1
125.02436	2.2
127.04022	0.8
131.03493	5.3
132.02184	26.0
133.02963	1.1
134.03751	56.5
135.04179	0.8
137.02504	0.8
137.06105	1.5
143.03496	1.6
149.04591	1.4
149.06097	5.7
152.04771	3.0
160.01669	98.1
161.02269	4.0
161.04604	1.8
167.07147	2.7
175.04013	100.0
176.04327	3.7
178.02663	3.6
179.03528	1.3
191.05632	2.1
193.05066	38.9
194.05415	0.8
197.71733	0.5
241.17403	0.5
265.07156	1.3
275.09290	0.6
329.12445	1.1
416.93643	0.6
475.18231	1.5
477.27676	0.5
505.17212	1.2
589.21954	2.7
607.22522	13.9
608.22589	0.6
651.22943	1.8
652.87238	0.6
783.27191	56.7
784.27710	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	783.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03462	1.4
58.00600	0.2
59.01385	15.8
62.54112	0.1
69.03460	0.9
71.01389	14.6
72.01745	0.2
72.99320	1.7
73.02951	1.6
75.00888	0.4
75.02430	0.2
81.03461	1.2
83.01392	1.2
84.02184	0.3
85.02959	12.3
86.00117	0.5
86.03285	0.3
89.02455	7.5
89.03978	1.7
90.02773	0.2
95.00944	0.1
95.01398	4.2
97.02939	0.9
99.00897	0.5
99.04520	0.4
101.02453	4.3
103.04013	0.3
104.02705	0.3
106.04264	0.4
109.02961	0.4
111.00861	0.2
112.01701	0.2
113.02462	21.5
114.02790	0.4
117.03477	4.2
119.03529	1.5
119.05016	0.3
121.02958	0.6
122.03800	0.7
123.04568	0.2
125.02471	1.8
127.04039	0.3
131.03520	4.9
132.02188	28.1
133.03018	4.0
134.03757	56.3
135.04590	5.0
136.01712	0.2
136.04868	0.4
137.02423	0.7
137.06111	1.3
139.04016	0.2
143.03505	1.4
147.04541	0.4
149.04604	1.2
149.06093	6.1
150.06465	0.2
152.04805	2.1
160.01675	100.0
161.02356	8.0
161.04500	2.6
162.02896	0.4
167.07143	3.1
169.87012	0.2
175.04019	91.7
176.04362	3.6
177.01918	0.2
178.02730	2.8
179.03523	6.0
180.03879	0.6
187.46587	0.1
191.05652	1.8
191.07199	0.2
193.05075	35.3
194.05426	1.4
213.69472	0.1
217.05092	0.2
233.06636	0.6
235.06081	0.3
263.09280	0.3
265.07245	0.8
268.51334	0.1
275.09329	0.8
281.06757	0.3
296.09341	0.4
311.11209	0.3
329.12503	0.8
329.16574	0.1
337.09314	0.6
439.14801	0.3
449.27356	0.1
465.21066	0.1
475.18219	1.1
487.14536	0.1
505.17233	0.6
589.21381	2.6
593.32007	0.3
607.22461	10.9
608.23206	1.0
622.21210	0.3
651.23077	2.0
652.23621	0.2
653.24335	0.7
653.33759	0.3
736.04126	0.1
783.27216	44.3
784.27478	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	783.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
64.04826	1.3
66.03482	2.3
68.34214	1.2
69.22775	3.2
69.23203	4.0
80.05071	6.6
84.04570	1.1
85.02982	1.1
94.06611	2.0
98.21841	1.7
113.02454	2.1
113.07222	18.9
114.05613	4.4
115.08768	4.4
122.09776	1.7
123.09258	1.4
124.04061	2.4
124.07697	2.9
129.10347	3.2
132.08206	2.0
133.02966	1.8
135.04494	2.2
139.05138	5.6
139.08804	6.9
140.07179	6.8
141.06686	10.3
143.71538	1.4
155.08278	1.3
160.01593	2.3
161.02472	3.4
165.06691	16.5
166.12334	1.6
167.04559	1.3
167.08258	14.4
167.11884	3.7
175.04047	3.1
179.03435	1.7
183.15047	1.4
184.10895	2.1
193.09799	7.3
194.13036	2.4
195.11388	3.1
197.16595	2.3
202.48961	1.1
207.15041	1.2
209.12947	4.9
210.12567	2.4
211.14420	1.7
212.14061	21.5
225.16035	1.4
238.15616	1.7
246.16158	3.0
248.17355	1.1
264.13544	6.8
264.17123	2.5
265.77216	1.4
280.20358	2.7
307.21109	1.3
377.29263	1.9
447.18604	1.2
574.33624	22.1
575.34192	2.4
783.47833	100.0
784.48181	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	784.1503
Annotation	Flavin adenine dinucleotide (FAD)
Peak:m/z	Relative Intensity
55.84127	0.5
62.96413	0.7
63.26976	0.6
70.00735	1.4
78.95910	100.0
85.02968	1.2
96.96970	58.8
98.21899	0.6
121.83547	0.6
133.01428	1.6
134.04733	5.7
150.98045	0.8
158.92563	9.4
162.98083	2.3
174.98119	0.6
176.93663	1.1
179.03557	0.9
180.99062	10.4
191.01961	1.0
193.05014	0.7
195.00658	2.6
198.06737	0.9
212.08328	1.3
241.07321	2.9
255.08908	2.3
272.95743	1.8
346.05569	28.1
347.05804	1.2
408.01196	2.1
419.07724	0.7
437.08676	35.0
438.09183	2.6
455.09302	0.7
517.05560	1.9
784.15186	8.9
784.28589	0.9
785.15582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11513	15.6
57.19299	15.0
59.01382	14.0
63.16606	14.4
85.03010	21.1
92.49967	17.3
113.07215	21.1
133.02962	51.1
135.04535	30.1
153.30174	17.5
161.02451	65.6
164.94270	16.7
179.03511	24.9
185.70308	16.6
212.14188	21.0
353.10315	17.4
392.79916	16.0
408.27869	16.3
497.00983	19.0
575.33875	17.9
697.36688	51.9
784.26605	17.9
784.48376	100.0
785.25256	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63208	0.2
61.98836	100.0
64.50206	0.2
66.90420	0.3
67.15222	0.3
71.64724	0.3
98.22610	0.8
102.81417	0.2
125.37095	0.3
144.22061	0.3
277.21780	0.4
556.02478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03565	0.3
59.01377	0.9
61.98830	1.3
69.37482	1.6
98.21847	0.5
105.01990	0.3
108.90217	2.0
120.01402	0.5
120.02178	4.0
121.02970	100.0
122.03295	1.0
165.01964	2.8
181.06624	2.7
188.32201	0.3
191.03563	2.0
209.04567	65.9
210.04941	1.1
225.05527	2.1
313.07202	4.7
357.06055	1.4
401.08810	10.5
402.09344	0.4
549.10364	0.5
575.11462	0.4
674.50092	0.4
741.14978	0.7
785.16620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51892	0.4
59.01385	4.0
61.98833	10.9
69.52690	1.7
71.01382	2.4
73.02964	0.5
85.02968	1.3
89.02454	1.5
89.03986	0.4
96.58913	0.4
101.02460	1.1
105.03460	0.7
113.02455	1.1
117.03462	1.4
119.03465	0.5
119.05058	1.2
123.04571	0.5
130.75702	0.4
132.02142	1.9
133.02966	33.8
134.03662	1.2
135.04536	15.2
137.02461	0.7
137.06067	0.7
149.02457	0.5
149.06113	0.5
161.02457	100.0
162.02785	2.3
173.51746	0.4
175.04059	0.5
177.05528	1.9
179.03510	9.8
203.03491	0.5
221.04483	2.0
252.61716	0.5
263.05905	0.4
313.76205	0.4
315.69232	0.4
323.07761	4.3
443.13290	0.8
461.14551	12.1
462.14935	0.6
507.18524	0.7
605.21063	0.5
623.19836	48.4
624.20245	2.9
785.22974	15.6
786.23358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2515
Annotation	Ecteinascidin 786
Peak:m/z	Relative Intensity
57.03464	1.1
59.01387	4.8
68.72156	0.5
69.28099	2.0
71.01389	8.3
73.02949	0.9
77.03983	0.6
84.02191	0.4
85.02955	9.5
87.00887	1.5
89.02471	3.3
89.03991	0.5
93.36485	0.4
93.74998	0.4
93.88894	0.4
95.01391	3.3
101.02454	1.0
105.03477	1.2
113.02461	18.6
117.03496	1.0
119.03520	0.5
123.04552	0.5
131.03534	1.5
132.02219	2.6
133.02977	47.1
134.03818	2.0
135.04546	18.9
136.04886	1.8
138.03322	0.5
148.01625	0.7
149.02452	0.8
149.04587	0.7
150.03252	11.3
161.02466	100.0
162.02789	3.4
165.05550	0.8
168.04259	0.5
173.15860	0.5
177.01988	1.0
179.03513	13.9
180.03894	1.1
186.84058	0.4
191.03606	0.6
191.05670	1.2
242.06358	0.4
267.69675	0.5
296.79980	0.4
327.10818	0.6
476.15359	0.6
478.69421	0.5
491.17841	0.9
623.22003	7.7
653.20953	0.6
785.25153	53.1
786.25592	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	785.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
61.93770	0.9
69.04540	6.5
69.04926	2.1
71.01369	3.6
85.02954	5.4
86.33867	1.1
87.00891	1.2
89.02444	1.3
95.01424	2.3
107.05025	2.4
109.02989	1.2
113.02460	6.9
117.03463	2.0
122.03726	1.6
123.04533	11.0
131.03500	1.3
131.19719	1.0
132.02194	2.2
133.02975	38.2
134.03789	5.2
135.04541	76.9
136.04869	3.1
149.02423	1.1
150.03235	9.5
151.04008	14.6
161.02455	88.6
162.02792	1.6
179.03514	100.0
180.03824	1.6
191.05498	1.2
277.58899	1.0
379.64893	1.0
591.19458	5.9
619.18762	6.1
623.20593	1.4
753.22449	47.6
754.22546	6.9
785.25067	20.3
786.25391	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	785.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
59.01381	6.3
71.01382	9.6
72.99289	0.7
73.02958	0.5
83.01386	0.6
85.02956	10.9
87.00896	0.8
89.02443	4.0
95.01388	4.3
95.05051	0.7
101.02453	1.8
105.03456	1.1
107.05053	0.5
109.02909	0.5
112.01421	0.4
113.02459	18.8
117.03458	0.9
122.03756	0.5
123.04559	0.6
131.03525	2.2
132.02182	3.2
133.02968	52.0
134.03435	1.5
135.04536	22.5
136.04869	1.3
137.02415	0.9
148.01680	3.9
149.02415	1.1
149.04590	0.5
150.03238	13.2
151.03992	1.0
161.02455	100.0
162.02792	4.3
163.02933	0.5
165.05534	1.0
168.04224	0.8
176.01160	0.8
177.01912	2.1
179.03522	14.3
180.03886	2.6
191.03511	3.5
191.05544	0.9
445.59702	0.6
469.14127	0.5
476.15515	0.8
491.17926	1.1
593.20758	1.2
623.21820	7.1
624.21661	0.8
645.54608	0.5
653.21167	1.0
655.21753	1.4
699.72369	0.5
753.22156	0.6
785.25140	52.6
786.25244	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12799	1.5
57.03428	2.6
59.01384	40.8
61.98822	2.3
69.03455	2.4
69.81906	3.6
69.82296	2.9
71.01385	25.1
73.02953	4.9
81.03422	1.6
83.01369	2.5
83.05042	1.7
85.02948	5.3
87.00887	4.8
89.02441	16.1
90.10045	1.6
95.01409	2.6
97.02950	3.1
97.06623	1.5
97.61969	1.2
99.00885	1.7
99.04508	1.8
101.02470	18.1
111.08184	2.0
113.02470	8.0
119.03490	3.5
121.30735	1.4
125.02451	6.8
133.06589	1.7
141.02052	2.2
143.03493	2.7
148.72073	1.6
149.04549	1.8
161.04541	5.4
179.05580	7.1
203.14441	2.3
221.06638	2.6
239.16621	3.8
241.18146	2.8
245.67902	1.5
267.19583	1.8
297.85544	1.5
315.26776	2.1
325.25366	6.4
341.24799	3.3
343.26425	6.1
351.23212	3.1
359.25943	4.3
361.27481	3.5
369.24289	7.7
377.26608	2.0
387.25418	22.1
397.13495	11.1
405.26465	35.4
565.45618	1.5
767.38068	1.7
785.39728	100.0
786.39880	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	786.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98957	0.8
59.01388	7.9
60.60132	0.8
61.98835	35.7
71.01397	7.0
73.02953	1.4
85.02966	4.0
87.00863	1.2
89.02460	3.7
90.55693	0.8
95.01436	2.0
101.02449	2.1
104.23224	0.7
105.03466	1.7
107.96339	0.9
111.56853	1.1
113.02470	11.3
113.03169	1.1
117.03490	1.6
121.03053	0.8
123.04543	0.9
131.03534	3.1
132.02184	2.0
133.02971	39.9
134.03815	4.0
135.04549	17.5
136.04866	1.3
138.13083	0.9
161.02461	100.0
162.02875	4.0
175.04088	1.9
179.03539	9.6
191.05708	1.4
193.05070	1.2
194.05577	0.9
235.04385	1.3
561.22394	0.9
601.17365	1.0
723.25092	65.1
724.25684	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	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03472	0.7
58.00602	0.8
59.01384	100.0
61.98836	0.8
69.03468	2.1
71.01385	28.1
72.99324	0.6
73.02951	73.1
75.00864	0.9
81.03454	0.8
83.01395	15.2
85.02965	6.2
87.00893	1.3
89.02449	9.3
95.01387	2.1
96.95992	1.1
97.02963	0.8
99.00876	0.7
101.02452	40.0
113.01745	0.9
113.02462	13.3
115.00344	0.6
119.03510	3.3
121.02966	2.3
122.03722	0.9
123.04518	0.6
125.02441	1.8
127.81301	0.7
131.03510	3.4
133.02945	2.3
134.68469	0.6
135.04553	3.1
136.01617	1.9
137.02394	0.7
143.03543	3.6
145.02922	0.9
146.03740	0.7
147.04367	0.8
149.02521	3.3
149.04590	4.5
150.03163	1.1
151.00406	0.8
151.03952	1.5
155.03456	1.3
161.02351	1.8
161.04570	9.4
162.03206	1.3
163.04037	0.9
164.04724	1.5
166.02621	1.3
167.03371	0.7
175.03917	1.6
177.05524	1.7
179.03456	1.8
179.07024	1.0
181.04982	1.9
189.05511	0.8
190.06274	1.0
192.04256	0.6
193.04973	0.8
203.05531	1.0
207.06570	1.0
214.63931	0.6
221.06525	1.1
339.07892	0.7
379.17081	1.0
383.11053	1.0
384.11111	0.7
385.11731	1.0
386.13141	2.1
387.13931	2.3
525.21326	0.5
535.19751	15.1
536.19385	0.6
565.19769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78036	0.5
55.01887	1.1
57.03461	0.9
57.85081	0.5
58.00593	0.8
59.01382	100.0
69.03468	1.5
69.17676	2.8
71.01385	24.0
72.99295	0.8
73.02950	69.4
75.00902	1.0
81.03439	0.8
83.01392	16.3
84.93015	0.5
85.02956	7.1
87.00879	2.0
89.02448	8.8
93.03458	0.5
95.01389	2.3
97.02984	1.0
98.22635	1.0
101.02447	51.1
106.19617	0.4
108.02182	0.6
109.02934	0.8
113.02456	17.5
116.67569	0.5
117.03451	1.5
119.03513	5.5
121.02961	2.2
122.03735	1.2
123.00952	0.5
123.04535	0.7
125.02409	1.8
131.03499	5.6
133.02962	2.5
134.03699	1.1
135.04474	0.6
136.01675	11.0
137.02414	1.2
143.03525	5.3
145.02974	9.0
146.03757	3.1
147.02965	0.5
147.04472	1.3
149.04573	6.3
150.03249	0.7
151.00391	4.2
151.02908	0.7
151.04024	10.0
153.63528	0.5
155.03493	1.5
160.05292	0.8
161.02509	7.0
161.04565	16.7
161.05896	1.0
162.03239	34.6
163.03883	0.8
164.04723	0.7
165.05463	0.7
166.02733	9.7
175.03955	1.3
177.05585	23.6
178.02704	0.6
179.03471	0.9
180.04253	0.9
181.05080	13.7
192.04222	0.7
193.04967	0.9
195.06567	1.5
199.42780	0.5
203.05510	1.9
206.05753	0.5
207.06599	0.6
219.06612	1.2
221.06602	2.1
238.79756	0.4
272.50998	0.5
339.10883	2.3
345.28204	0.5
357.09482	1.6
357.12982	0.7
372.12241	0.9
386.13321	0.8
387.14542	9.2
399.12653	1.0
435.01404	0.5
494.90906	0.6
547.19751	13.8
548.19324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
67.03013	1.7
70.02984	1.1
71.01392	0.9
71.02499	3.3
71.39323	1.0
72.93630	0.7
73.04078	6.5
74.02445	1.3
82.01686	0.8
83.02509	2.8
84.00915	8.9
85.04086	1.3
93.03453	0.8
95.02522	5.2
97.00449	1.2
97.04099	1.1
98.01220	0.8
99.02012	11.8
106.41328	0.7
110.01205	1.0
110.06113	0.8
111.01997	3.9
112.05154	1.9
113.02427	0.9
113.03610	4.9
113.07224	21.2
114.05603	1.7
116.05096	0.9
119.04263	1.2
119.05045	15.5
123.02116	1.3
125.03613	0.8
125.07188	2.0
128.04681	1.6
129.10361	1.4
130.06238	4.4
133.02942	2.3
135.04703	0.9
135.05649	3.2
141.10292	1.3
142.06596	2.3
146.06157	7.9
151.05186	1.0
151.08792	1.1
152.08295	5.5
153.06718	35.2
154.07060	1.5
155.08243	3.4
158.06105	2.8
160.07655	1.3
161.02478	4.0
162.05592	10.3
163.05107	1.3
163.08818	1.1
166.09846	1.3
167.62263	0.8
168.07861	1.1
169.09833	2.8
170.09373	29.6
175.04031	1.2
177.01915	1.1
177.03964	0.8
179.08325	0.9
181.13544	1.4
185.07237	4.4
186.05621	7.9
186.12474	1.8
189.06693	1.8
192.07721	1.3
199.08771	2.7
201.06689	1.2
203.08267	8.3
205.06203	1.2
208.09607	2.3
208.14679	0.9
209.10469	5.5
209.12927	3.1
210.08844	5.9
212.10341	1.4
220.05487	0.9
220.10863	1.5
222.16109	2.3
226.15639	7.7
227.11523	4.4
238.15576	1.2
242.09354	1.8
243.07721	2.3
246.08929	1.2
256.14575	1.2
260.10440	3.8
265.16849	4.7
266.15106	2.2
266.78485	0.9
276.13574	7.2
279.18396	0.8
283.17819	7.6
291.11542	1.0
292.09882	2.1
299.15152	4.4
314.15149	0.9
317.16138	2.9
322.18549	0.8
323.17218	1.5
339.14557	2.7
340.19934	1.3
356.17236	1.3
357.15561	1.5
362.21893	1.9
363.20584	1.9
374.18286	2.1
380.19321	4.9
380.23489	1.4
405.19608	1.0
423.20441	1.4
446.23746	1.0
463.20276	1.3
470.24753	0.8
477.25394	1.1
480.23206	1.0
494.27243	3.1
520.22015	1.2
527.26233	5.4
528.25720	1.0
530.61353	0.8
560.16589	0.9
575.30682	0.9
577.24658	3.6
600.31885	1.4
633.30713	1.2
634.30005	10.3
635.30536	1.5
677.46313	0.8
681.33478	3.8
682.33575	1.2
690.35742	2.6
691.36798	0.9
787.37909	100.0
788.38123	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01389	3.6
62.67897	0.7
63.02429	1.1
65.00328	2.4
65.06969	0.7
71.01392	2.5
71.42258	1.0
74.14497	0.7
82.76719	0.7
83.01399	1.9
84.36954	0.7
85.02943	4.0
89.45627	0.8
98.05394	0.7
107.01388	4.8
108.02184	2.9
109.02986	1.3
113.02454	1.1
115.00385	0.9
121.02975	5.5
133.02968	2.0
135.00922	1.5
135.04538	2.9
139.04041	1.2
148.01720	1.8
151.00371	13.8
152.01189	0.8
153.05605	1.1
161.02449	3.1
161.04543	0.7
163.00369	3.2
164.01134	1.1
178.99873	6.4
179.03529	1.1
185.11897	1.2
187.04085	1.1
190.99960	1.2
191.01987	1.3
197.04541	1.9
199.04041	2.2
203.03491	1.0
211.03987	1.4
215.03546	1.1
226.02765	2.3
227.03540	5.1
243.02988	14.7
244.03577	1.3
245.04536	1.0
254.02136	3.1
255.03004	34.3
256.03442	2.1
271.02496	69.1
272.03085	4.5
283.02466	1.7
299.01999	3.1
300.02768	100.0
301.03525	36.2
302.03769	1.0
314.04538	1.0
314.87506	0.8
315.05145	3.0
341.26099	0.8
343.04639	0.8
463.08734	3.2
473.13022	3.4
591.13538	4.6
609.14685	19.6
789.18848	48.0
790.19482	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	789.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
62.54885	0.7
71.01379	4.9
83.01347	0.9
85.02957	6.4
86.55190	0.8
89.02447	1.9
92.90878	1.0
95.01368	1.7
98.22702	1.9
101.02463	1.2
113.02444	12.2
117.03473	1.5
123.04500	1.1
131.76904	0.8
132.02167	1.1
133.02974	35.6
135.04544	18.0
161.02460	100.0
162.02858	2.1
179.03523	6.2
190.23103	0.9
260.12711	0.8
264.63342	0.7
315.10776	1.0
348.70346	0.8
449.99030	0.8
461.16660	2.6
536.52393	0.9
623.19836	74.5
624.20380	5.9
753.22565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
69.39863	1.3
69.40260	3.1
71.01397	5.4
76.74186	0.9
80.59988	0.9
85.02962	6.5
86.55795	0.9
89.02448	3.7
95.01408	1.8
98.21943	1.8
101.33337	0.9
103.95621	0.9
109.73609	0.9
111.79407	0.9
112.17197	0.8
113.02467	12.1
123.04507	1.4
132.02176	3.3
133.02974	32.8
135.04549	29.3
151.04088	1.3
153.05499	1.1
161.02460	100.0
162.02779	2.9
179.03513	19.5
245.76054	1.0
267.41714	0.9
303.01501	1.0
347.91260	0.9
461.16577	3.2
589.87158	1.1
623.19855	65.6
624.20032	5.9
753.22437	6.1
789.31384	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	789.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01369	2.0
69.03446	1.3
69.32848	2.3
71.01386	1.9
72.99292	1.3
73.02968	0.9
73.95235	0.6
85.02952	5.1
89.02431	0.7
93.03450	1.2
96.96024	1.2
108.02183	67.7
109.02978	17.3
111.00941	0.7
113.02486	0.9
115.00484	0.7
121.02973	3.7
122.03747	2.9
123.04537	2.0
132.02115	0.8
133.02945	5.3
134.03754	13.3
135.00905	0.7
135.04556	7.6
136.04948	0.8
137.02449	1.7
149.02469	5.1
149.06062	2.7
150.03241	13.0
151.04034	4.2
152.01169	100.0
153.01991	5.0
160.01653	1.1
161.02461	5.9
163.04010	1.4
165.05597	8.7
167.03535	0.6
175.04044	1.8
175.42522	0.6
177.01936	1.4
178.02760	3.5
179.03537	5.7
180.04163	0.6
181.05029	1.2
183.10194	1.5
191.01952	0.9
193.05109	7.8
233.04453	1.0
282.09006	1.4
285.06198	0.9
291.36224	0.6
339.08829	0.7
341.10312	0.9
349.20224	1.1
399.09341	12.2
417.10294	2.0
488.22644	0.9
516.67151	0.8
591.12720	1.0
592.14478	3.6
593.14984	2.6
607.15485	0.7
645.94922	0.7
677.36523	0.8
710.04510	0.8
789.22485	57.9
790.22321	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	789.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03442	1.0
57.71706	0.4
59.01385	26.0
61.98830	0.8
69.36565	1.4
69.36976	1.0
71.01388	10.1
73.02952	12.6
83.01407	2.7
85.02959	4.4
87.00884	1.1
89.02470	3.4
95.01405	0.8
96.96008	2.7
97.02989	0.4
101.02460	7.2
113.02470	5.1
115.00336	0.4
115.28262	0.4
119.03520	1.3
122.06197	0.5
125.02433	0.5
133.02942	0.5
143.03569	0.6
161.02472	0.8
161.04604	0.6
179.03493	0.7
200.28687	0.5
210.64403	0.5
223.85139	0.4
282.22906	0.4
301.21838	2.9
301.67963	0.5
319.22797	13.3
320.23154	0.6
321.24429	1.0
337.23761	1.1
449.97525	0.5
481.28070	4.5
482.28787	0.4
499.29178	15.3
500.29529	1.7
523.29034	1.1
541.30212	100.0
542.30530	11.0
583.31256	14.2
584.31293	2.1
758.50690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.3
61.98838	100.0
71.41059	32.2
86.23330	19.3
87.29134	21.2
174.45992	19.8
202.84581	20.8
209.11821	60.4
566.38904	19.5
570.29175	21.2
789.39093	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	790.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.1
64.92462	0.9
66.03499	1.5
66.34548	1.0
67.62807	0.8
69.25267	1.8
69.25681	2.8
70.03013	1.1
71.01385	1.0
73.04079	6.5
82.06618	2.0
83.02532	1.9
84.00906	1.5
84.04564	1.1
87.05660	4.2
88.04047	2.5
89.79857	0.8
91.39632	0.9
95.02539	2.6
97.04074	2.5
98.02483	14.7
99.02026	4.0
99.05659	1.1
102.65958	0.9
109.04060	3.6
110.02522	0.9
111.02154	0.8
111.05634	0.9
112.04060	2.2
113.03573	3.5
113.07220	27.4
114.05609	4.3
115.08761	3.5
116.05064	6.4
116.92848	1.0
117.24637	1.0
123.05638	3.3
124.04040	1.1
124.07655	1.6
125.03625	1.1
125.07232	4.5
125.10830	1.2
126.05704	1.3
126.06724	3.4
127.05138	6.3
129.10356	4.2
130.06282	1.4
139.05171	2.6
139.08757	3.2
141.06728	1.5
141.10349	2.0
142.06653	6.0
144.07787	3.7
149.07141	0.9
151.08780	4.0
152.07143	2.0
152.08301	3.3
153.06708	13.1
155.08292	4.8
164.08238	0.9
165.10341	1.2
166.09908	1.4
167.08293	6.4
168.11443	1.4
169.09837	2.2
170.09363	44.0
171.07784	1.3
171.09673	1.8
179.11969	0.9
180.06958	1.2
180.11455	1.8
181.13504	3.2
182.13029	1.0
183.15070	1.1
184.10872	4.6
186.12486	4.5
193.13451	3.5
195.09219	2.5
200.13991	1.0
207.08833	1.1
208.14531	1.1
209.10461	5.1
209.12949	5.2
210.08881	1.2
210.16173	2.1
223.12035	6.3
224.10413	1.6
226.15642	38.2
227.11507	2.5
228.17174	1.9
237.13618	4.1
238.11943	1.8
239.08234	2.2
241.13116	6.4
264.16660	1.0
264.20660	1.6
265.16681	1.2
270.96606	1.0
279.18439	2.0
280.14120	2.8
280.20395	2.1
281.12509	1.9
283.17624	0.9
297.19360	2.2
298.15240	2.7
307.21371	7.6
322.18759	1.2
325.22443	5.6
335.24487	3.2
336.20398	1.0
340.19696	1.5
345.51602	0.9
378.25061	1.9
379.23904	1.4
396.26144	6.7
397.26514	1.3
405.52673	1.0
427.20996	1.3
436.25323	1.1
507.29297	4.1
508.28854	4.1
550.33630	41.3
551.33789	5.1
595.30133	5.1
611.79395	0.9
619.34381	1.7
637.34711	20.5
638.35150	1.8
661.36896	19.7
662.37469	1.1
673.37427	1.6
691.40485	1.0
746.43909	1.2
790.42609	100.0
791.42700	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	790.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68693	0.1
59.01385	0.3
59.79477	0.1
61.98835	100.0
82.02879	0.2
89.99077	0.1
113.20384	0.2
115.19559	0.1
119.57401	0.2
128.45638	0.2
228.58070	0.2
256.23541	0.2
358.24396	0.1
399.58151	0.1
620.99799	0.2
772.69397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
57.52458	0.5
59.01383	7.1
69.09156	3.5
71.01390	8.4
73.02954	1.0
81.47870	0.5
85.02960	8.8
87.00888	1.6
89.02456	2.9
95.01402	1.8
96.12245	0.5
98.22623	1.1
101.02445	1.9
103.04054	0.5
105.03423	0.8
109.02950	0.7
113.02464	15.6
115.00412	0.7
123.04556	1.9
128.02531	0.5
128.71768	0.5
131.03499	1.7
132.02190	2.2
133.02968	42.6
134.03619	1.2
135.04538	27.2
136.04839	1.0
149.04576	0.7
153.05582	3.1
159.11209	0.6
161.02455	100.0
162.02760	3.4
179.03514	10.3
191.05592	0.6
206.14848	0.6
211.06114	6.9
236.14317	0.7
245.75500	0.6
297.09708	0.9
300.02731	1.5
301.03656	0.8
315.10867	2.0
355.02420	0.6
429.55753	0.6
461.16727	3.0
463.08841	2.1
508.45129	0.7
593.20929	3.6
623.20081	1.1
753.21875	0.8
755.24023	60.9
756.24536	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	791.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01382	15.9
67.29702	1.7
69.49931	5.4
71.01389	7.3
85.02968	11.0
89.02457	3.2
91.66792	1.5
95.01410	2.6
96.96014	1.5
98.22655	3.5
98.57098	1.7
101.02430	2.9
113.02464	14.4
123.04525	2.6
133.02965	35.0
133.03897	2.8
134.03604	1.7
135.04538	32.0
152.01161	3.0
161.02457	100.0
162.02812	4.4
179.03505	13.2
240.09013	1.7
461.16400	1.9
581.95300	1.7
593.21582	1.8
623.20233	8.5
625.20581	2.2
753.21863	2.7
755.24066	50.4
756.24493	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	791.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.6
60.39838	0.7
61.98827	0.7
71.01389	4.7
73.02942	2.2
80.35293	0.6
83.01398	2.0
85.02969	3.3
89.02464	1.5
90.95065	0.6
92.05112	0.8
92.39466	0.6
94.06651	1.9
95.05044	1.3
96.96022	7.2
98.64288	0.6
98.95576	0.7
101.02447	2.7
106.06610	1.0
110.06127	6.1
113.02490	1.4
120.04515	1.3
120.08165	1.3
121.02937	0.9
121.05347	2.0
122.05329	1.3
122.06139	16.1
123.06460	0.6
130.06592	0.7
133.02971	1.1
134.06140	5.0
135.04518	1.2
144.04546	2.5
146.06151	0.9
160.04126	0.6
160.06419	4.8
160.16142	0.6
161.02490	2.2
161.04836	3.0
162.05638	0.9
165.49644	0.6
165.79172	0.7
174.05637	6.7
187.06433	0.9
188.03551	1.1
193.05249	0.7
198.12843	0.9
203.05873	2.7
203.11916	1.1
211.08778	0.9
213.08266	1.4
213.10356	24.7
214.12381	0.8
215.11922	1.9
223.08817	1.0
225.10329	2.2
226.11093	3.4
227.11893	1.1
236.09561	1.0
237.10390	1.0
239.11917	13.5
241.13507	12.5
251.08255	1.0
251.11902	3.3
265.09818	1.7
267.11377	9.6
267.14001	1.1
277.09869	2.2
278.10721	1.1
281.09393	1.0
283.10870	4.1
285.12479	65.4
286.12766	3.0
293.13004	5.2
301.11948	2.1
312.11365	0.9
313.12296	0.9
314.12997	2.4
325.11929	1.1
327.13556	2.8
328.10956	2.1
328.14499	1.3
329.15320	6.7
330.16122	3.6
340.10831	1.1
341.11649	0.8
342.12488	1.6
343.13211	4.1
344.13959	1.2
344.17645	2.7
345.18420	2.2
352.15024	0.7
353.15585	1.0
354.12396	0.9
354.16202	3.2
355.13229	1.4
356.14032	7.9
357.14725	1.1
368.17844	1.7
369.14597	0.9
370.15613	12.1
371.16431	5.0
372.17203	5.3
380.14297	1.3
382.11859	2.1
384.13412	2.6
385.13849	1.6
385.18219	1.5
396.13513	3.2
397.14420	3.4
398.15137	13.6
399.15918	0.8
403.15442	2.1
411.15829	2.0
412.16736	7.6
413.17526	7.2
416.16281	1.6
438.14517	1.6
439.15298	1.3
439.21411	1.3
470.17056	0.9
477.19864	0.7
481.22427	1.5
493.22620	4.6
507.23297	0.8
511.23837	3.6
523.23346	0.8
535.23492	7.8
537.21210	1.0
542.30939	0.7
553.24646	22.5
554.24915	1.6
557.24078	1.9
561.21552	1.9
569.24060	1.1
579.22516	18.3
580.23145	1.9
585.26904	1.1
593.24402	0.7
597.23596	60.5
598.23889	5.3
611.25171	12.2
629.26208	100.0
630.26514	8.6
671.27252	10.1
672.28168	0.9
697.39221	0.7
759.29065	1.0
791.32025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.8
61.98832	4.1
70.80240	2.2
71.01391	12.0
73.02966	3.2
85.02940	6.5
89.02480	5.9
101.02454	4.9
106.70757	2.6
110.06103	3.6
122.06128	10.8
133.01479	5.1
134.06137	4.1
145.90565	2.8
161.02449	4.8
161.04904	2.7
167.88412	2.2
183.13896	3.7
209.11867	2.8
213.10384	11.0
229.14517	2.6
239.11974	5.9
241.13536	2.7
249.32962	2.6
283.10995	4.7
285.12469	27.4
290.25220	2.6
301.12000	4.4
340.10880	3.4
355.13394	2.6
356.13971	7.8
370.15714	4.7
372.16898	3.6
381.11151	3.1
382.11902	5.7
383.12891	4.2
384.13348	8.3
396.13541	8.1
397.14264	3.4
398.15103	12.5
410.67990	3.1
411.15973	6.6
412.16660	7.0
416.16116	7.3
424.12943	8.3
429.57288	2.6
439.15305	5.6
456.15686	3.9
471.17844	13.7
493.22778	2.8
511.23615	3.0
535.23340	6.3
538.22156	5.6
553.24426	15.9
576.02466	2.9
579.22284	6.3
580.23975	2.7
581.23816	3.9
593.24280	17.3
597.23596	30.2
611.25116	100.0
612.25421	7.6
629.26160	50.4
630.26251	3.6
675.36011	6.2
809.23767	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	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59597	8.1
61.98845	62.8
69.33641	41.6
116.92855	15.8
151.89238	9.3
209.11884	100.0
227.12949	21.7
247.94676	9.6
253.09326	12.8
291.19684	20.1
298.38239	10.0
309.20755	58.0
619.38611	9.2
791.39874	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	791.436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
71.40340	63.4
199.65977	64.9
223.67824	59.1
235.44846	60.0
249.88358	56.6
335.45486	66.7
463.40134	62.5
523.90033	74.5
727.64166	67.5
746.84369	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03452	12.5
59.01387	6.6
60.41391	0.7
71.01395	4.8
71.40511	0.7
72.99307	3.9
75.00857	1.3
83.01382	3.3
84.02176	2.5
84.46356	0.7
85.02956	100.0
86.03292	1.9
87.00906	0.9
89.02449	1.4
92.79861	0.6
101.02444	0.8
103.00394	1.7
105.53966	0.8
106.21763	0.7
111.00889	4.0
113.43432	0.7
115.00336	1.5
125.00939	2.0
129.01970	5.9
130.09016	0.7
133.01469	1.0
134.03748	2.4
141.01740	2.4
147.01848	1.1
147.03008	18.8
148.03235	0.7
151.00171	0.9
160.01813	0.7
160.36078	0.8
168.99977	0.9
172.74855	0.7
173.00963	1.8
191.01985	60.9
193.05064	2.7
209.03033	14.6
213.00169	8.5
213.66063	0.8
231.01318	7.5
316.31860	1.0
361.03995	0.9
363.07114	2.1
385.07782	13.1
387.00790	0.9
389.03912	1.9
407.05893	18.6
408.06308	0.9
478.71564	0.7
500.86771	0.8
581.07025	0.9
599.08899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
68.59605	1.0
71.01395	9.7
77.03935	1.0
83.01405	1.3
85.02957	8.7
89.02462	3.5
91.59653	1.1
95.01399	2.6
101.02435	1.4
105.03459	1.2
113.02468	14.2
114.02789	1.6
117.03476	1.4
119.03484	1.0
122.24571	1.2
123.04520	2.5
132.02171	3.0
133.02974	40.7
134.03349	3.8
135.04546	27.8
136.04901	2.7
153.05603	1.9
161.02466	100.0
162.02802	12.3
163.03012	3.4
163.99864	1.0
179.03516	9.0
180.03789	1.9
283.66901	1.2
315.11099	1.4
337.27460	1.2
461.16812	2.7
586.93652	1.1
593.20648	3.1
625.20233	5.2
638.34686	1.5
755.24072	37.4
756.24438	4.9
757.24615	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	793.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
59.01382	17.5
69.03459	1.4
70.76870	1.3
70.89294	2.0
71.01385	28.3
72.99300	4.6
85.02967	4.0
89.02448	4.9
94.06639	1.8
95.01433	1.6
95.05092	1.2
98.02496	2.9
101.02457	1.2
106.06619	1.3
107.03793	1.4
110.06123	1.4
113.02501	3.7
115.00383	51.9
117.03481	17.5
119.05030	4.3
120.08173	6.4
122.06133	21.9
133.01445	100.0
134.01761	1.3
134.06055	1.1
135.04562	2.6
138.01988	2.9
140.03519	3.1
144.04521	2.4
145.02966	70.9
146.03342	1.8
146.06210	1.3
152.07181	1.7
161.02435	3.1
161.04588	1.5
163.04076	4.0
174.05635	2.8
223.08875	1.8
235.07153	1.6
236.09486	3.0
237.10367	4.7
239.11937	2.5
241.13472	2.1
248.44060	1.2
251.11931	13.2
263.08234	2.6
264.09113	2.9
265.09793	3.8
265.13373	1.7
277.09885	5.7
278.10648	5.6
279.11465	3.1
281.09692	1.5
283.10770	2.6
291.11179	4.4
292.12271	6.9
293.13028	8.8
295.10815	2.0
305.09183	2.0
324.11478	1.5
325.11887	1.6
333.10989	1.6
336.11136	1.9
337.11880	2.3
344.14050	2.5
372.17038	7.6
373.17874	4.1
374.18823	2.7
386.14859	2.9
387.36502	1.5
398.15356	1.4
400.16660	3.0
403.19595	1.5
414.18295	6.4
415.18991	2.4
418.17725	5.5
458.17465	2.4
459.18060	5.7
478.20013	1.7
490.19696	8.0
493.26364	2.0
495.24048	5.2
521.20990	2.4
537.25128	5.0
581.24072	14.0
601.23187	3.9
613.26715	36.7
627.21063	2.0
633.21930	37.4
634.23413	3.3
638.23419	1.7
639.24109	1.8
645.22217	9.0
670.26483	2.2
677.24786	26.9
678.25641	1.8
761.30481	10.7
793.33270	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	793.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
59.01382	17.5
69.03459	1.4
70.76870	1.3
70.89294	2.0
71.01385	28.3
72.99300	4.6
85.02967	4.0
89.02448	4.9
94.06639	1.8
95.01433	1.6
95.05092	1.2
98.02496	2.9
101.02457	1.2
106.06619	1.3
107.03793	1.4
110.06123	1.4
113.02501	3.7
115.00383	51.9
117.03481	17.5
119.05030	4.3
120.08173	6.4
122.06133	21.9
133.01445	100.0
134.01761	1.3
134.06055	1.1
135.04562	2.6
138.01988	2.9
140.03519	3.1
144.04521	2.4
145.02966	70.9
146.03342	1.8
146.06210	1.3
152.07181	1.7
161.02435	3.1
161.04588	1.5
163.04076	4.0
174.05635	2.8
223.08875	1.8
235.07153	1.6
236.09486	3.0
237.10367	4.7
239.11937	2.5
241.13472	2.1
248.44060	1.2
251.11931	13.2
263.08234	2.6
264.09113	2.9
265.09793	3.8
265.13373	1.7
277.09885	5.7
278.10648	5.6
279.11465	3.1
281.09692	1.5
283.10770	2.6
291.11179	4.4
292.12271	6.9
293.13028	8.8
295.10815	2.0
305.09183	2.0
324.11478	1.5
325.11887	1.6
333.10989	1.6
336.11136	1.9
337.11880	2.3
344.14050	2.5
372.17038	7.6
373.17874	4.1
374.18823	2.7
386.14859	2.9
387.36502	1.5
398.15356	1.4
400.16660	3.0
403.19595	1.5
414.18295	6.4
415.18991	2.4
418.17725	5.5
458.17465	2.4
459.18060	5.7
478.20013	1.7
490.19696	8.0
493.26364	2.0
495.24048	5.2
521.20990	2.4
537.25128	5.0
581.24072	14.0
601.23187	3.9
613.26715	36.7
627.21063	2.0
633.21930	37.4
634.23413	3.3
638.23419	1.7
639.24109	1.8
645.22217	9.0
670.26483	2.2
677.24786	26.9
678.25641	1.8
761.30481	10.7
793.33270	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	793.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
58.21086	0.4
59.01386	6.3
61.37960	0.4
61.98508	1.0
61.98832	18.7
69.03468	0.5
69.16316	2.8
71.01395	2.4
72.62018	0.4
72.99314	0.5
73.02941	1.1
80.12610	0.5
85.02962	1.4
89.02458	1.5
91.05540	0.6
93.03464	0.7
99.00909	2.0
101.02454	1.1
113.02456	1.7
117.03495	0.9
119.01420	0.7
119.05084	0.8
121.02966	11.1
123.64638	0.4
132.02165	1.0
134.03734	0.5
135.04523	1.3
147.04535	3.8
149.02454	63.3
150.02827	2.0
161.02490	1.1
163.04016	1.0
164.04803	49.4
165.05173	1.2
165.24193	0.4
175.00394	2.7
179.03615	0.8
179.07158	5.2
190.02730	6.6
193.01320	0.7
193.05118	0.6
203.05634	0.9
205.05060	9.2
207.13916	2.3
208.03731	3.3
209.11845	0.7
210.25278	0.5
223.06123	100.0
224.06444	2.2
297.70895	0.6
371.79025	0.5
410.47247	0.4
483.22061	0.7
543.24078	0.9
613.26398	1.0
631.27338	0.8
665.25830	0.5
749.30408	1.8
777.27179	0.6
823.45612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
59.01384	2.3
61.98817	0.5
66.72706	0.2
67.55708	0.2
70.95859	0.2
70.96204	0.2
71.01389	0.5
72.99322	0.3
73.02956	5.3
75.00878	8.1
87.00864	0.5
89.02453	0.4
99.00887	4.0
99.92593	11.1
100.92539	0.2
101.02412	0.3
113.02426	0.2
114.93428	0.6
115.99914	0.4
116.03548	0.7
116.92873	100.0
116.97256	3.1
117.01952	12.8
117.02833	0.3
117.05592	0.5
117.92883	3.6
135.18779	0.2
209.60030	0.2
277.21765	0.4
397.13538	0.6
402.00845	0.2
415.14938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01388	1.6
61.98818	0.4
71.01408	0.2
73.02953	4.4
75.00879	5.9
87.00882	0.4
88.20766	0.2
89.02470	0.4
99.00898	3.1
99.86610	0.2
99.92593	11.0
100.92604	0.3
108.96764	0.2
114.93441	0.5
115.04021	0.2
115.99915	0.2
116.03573	0.5
116.92873	100.0
116.97255	4.7
117.01953	10.6
117.05595	0.4
117.92882	3.0
125.02431	0.2
189.04195	0.2
190.79756	0.2
270.62286	0.2
277.21768	0.5
293.20844	0.3
325.70383	0.2
335.17667	0.6
397.13623	0.8
531.17706	0.2
576.54529	0.2
622.07214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	46.1
69.67897	3.8
69.68240	6.3
71.01393	9.9
85.02995	3.6
89.02463	9.9
91.66943	2.4
95.53177	2.7
101.02444	5.7
104.56068	2.5
115.06599	2.6
119.03542	2.4
121.39613	2.1
132.03064	2.2
163.11263	3.1
207.10278	5.9
223.06189	6.0
225.06734	2.8
384.42230	2.8
387.16641	100.0
387.21765	5.0
388.16949	3.2
544.05316	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	793.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.6
69.49535	0.3
71.01392	7.4
72.99293	0.4
83.01428	0.4
85.02952	1.8
87.00875	0.4
89.02444	3.6
94.06628	1.6
95.01391	0.7
95.05025	0.9
98.36861	0.4
101.02465	2.2
105.05821	0.5
106.06647	0.6
107.03776	1.2
110.06120	4.8
113.02444	1.4
115.00353	0.5
119.03496	1.3
120.08183	5.6
121.05328	1.2
122.06134	20.4
130.06635	0.6
133.01431	0.4
133.02966	0.7
134.03758	0.4
134.06134	3.7
136.07668	1.9
142.52834	0.4
144.04559	1.4
146.06085	0.9
158.06116	0.6
160.04037	0.9
161.02402	1.2
161.04774	1.0
161.07202	0.9
162.05658	1.0
164.07108	0.6
167.98703	0.3
173.04822	1.0
174.05603	4.7
175.06303	0.6
179.03467	0.4
186.05595	0.7
187.06406	0.8
188.07213	1.0
199.08766	0.4
200.07210	0.8
203.05867	1.7
204.06606	1.0
210.07990	0.4
211.08713	0.6
213.06761	0.8
213.10359	1.1
215.11903	1.7
222.07965	0.9
223.08739	1.9
224.09451	1.0
225.06476	0.4
225.10391	1.1
227.08197	0.6
227.11847	0.7
236.09465	1.9
237.10329	6.0
238.11066	1.3
239.08311	0.6
239.11934	2.8
241.13554	3.1
243.15027	1.2
249.06718	0.9
249.10332	1.3
249.13887	0.6
250.07460	1.0
250.11186	1.9
251.08284	1.4
251.11905	8.4
252.06612	1.7
252.08939	0.4
252.12497	1.5
253.09735	1.0
253.13518	0.7
261.10373	0.6
263.08286	3.6
263.11792	1.2
264.09064	5.6
265.09799	7.9
265.13376	2.6
266.07349	0.5
266.10516	0.8
267.07770	0.6
267.11426	1.1
268.08481	0.8
269.12997	0.5
271.10663	0.4
275.11887	0.5
276.09018	1.7
277.09833	5.6
278.10608	5.4
279.11356	3.7
281.09332	0.9
282.09985	1.9
283.10962	2.4
285.09476	0.5
285.12488	1.3
287.14157	2.8
291.08258	0.7
291.11420	4.9
292.08810	0.4
292.12183	6.9
293.09534	0.6
293.12933	9.1
294.10129	0.5
294.13297	0.9
295.10840	1.7
296.11554	1.2
297.12506	2.7
301.12039	0.7
304.08456	1.0
305.09283	1.0
306.10214	0.5
308.11655	0.6
309.12186	0.4
310.09497	0.5
311.10318	1.1
312.11292	1.3
313.11972	1.2
319.10861	5.8
320.11438	0.7
321.12518	0.5
323.10355	0.5
324.11124	0.7
325.11856	0.9
325.15436	0.8
327.14044	0.5
328.10870	0.8
329.11795	0.5
330.12265	0.7
335.10370	1.0
336.11118	1.8
337.11731	2.3
338.12778	0.6
342.12433	2.4
343.13095	2.4
344.13989	2.4
345.14832	0.5
346.15579	0.5
351.13641	2.8
352.14291	2.5
353.14987	0.6
355.13489	0.6
356.14154	1.5
356.18216	0.4
357.14798	1.4
358.15646	4.3
359.16299	1.7
360.17242	1.7
366.12506	0.6
369.14859	0.6
370.11914	5.6
370.15610	0.7
370.19250	1.0
371.12479	1.0
372.13275	1.6
372.17197	6.9
373.17990	4.1
374.18723	3.1
382.11624	0.5
382.15863	0.5
383.13159	1.2
384.13397	3.0
385.14233	5.6
385.18582	0.5
386.14850	4.5
386.19226	0.7
387.15683	1.1
388.16730	0.9
390.18109	1.9
391.18680	0.6
396.17438	0.9
397.17868	1.3
398.15048	3.9
399.15848	3.9
400.16611	5.4
401.17038	0.8
402.18304	1.4
404.16132	0.7
405.16940	1.3
406.17697	1.1
413.17734	1.9
414.18262	8.9
415.19049	3.0
417.16843	1.0
418.17657	6.3
419.18027	1.0
425.13864	0.5
426.14606	7.5
427.14844	1.0
430.17825	0.6
431.14984	1.3
432.19687	1.9
433.20514	0.5
436.18863	2.4
440.16177	2.0
441.16891	3.0
442.17569	0.9
448.19412	0.5
458.17203	3.7
459.17847	1.3
460.18744	0.6
462.20200	0.7
472.18826	3.8
473.19598	14.4
474.20117	4.6
476.17838	2.1
477.18835	1.4
478.19955	0.6
490.19836	3.4
491.20465	1.5
492.21420	3.6
495.24408	2.5
505.18625	1.8
508.20914	5.8
509.21692	2.4
510.22446	0.6
513.25244	6.4
514.25391	0.9
521.21790	0.8
524.20325	0.7
537.24963	4.8
538.24402	0.8
539.22955	4.6
540.23645	1.7
541.24481	0.5
551.22278	0.9
555.26221	5.5
556.26501	0.8
557.23816	0.8
558.25165	0.5
559.25348	0.8
563.23236	0.8
569.24683	0.7
581.24091	9.9
582.24176	1.4
583.25653	1.6
587.28766	0.9
595.25641	7.6
596.26196	1.5
599.25140	13.0
600.25446	2.1
601.26697	1.2
602.26660	0.7
613.26691	100.0
614.27014	15.6
631.27765	44.1
632.28003	8.2
645.25623	0.9
655.27747	5.3
656.27960	1.0
673.28674	6.0
674.29144	1.1
703.30005	0.5
733.30823	0.7
793.33142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73867	1.2
59.01381	14.8
69.03461	1.1
71.01384	7.9
72.19214	1.5
73.02946	3.0
85.02956	5.0
89.02437	2.3
96.96038	2.1
101.02433	3.1
104.81252	1.3
107.03789	3.5
109.02956	1.4
110.06129	5.0
113.02474	2.0
113.71749	1.2
115.00375	5.5
119.95297	1.1
120.08196	18.6
121.05304	3.1
122.06141	49.0
133.01434	2.5
133.02972	2.1
134.06104	3.6
135.04509	3.1
144.04555	3.6
145.01479	1.4
161.02438	4.4
164.07156	1.7
174.05646	2.9
179.03566	1.9
188.07181	1.3
200.07245	1.7
201.10342	1.8
203.05867	3.2
204.06583	1.7
205.05077	4.2
209.10852	1.9
213.10381	1.5
215.11874	1.5
222.08057	5.2
223.08673	2.1
224.09523	1.7
225.10240	1.5
225.13847	1.8
236.09512	6.3
237.10341	12.5
238.11028	4.0
239.11896	2.4
241.13585	2.3
247.12483	1.6
249.06679	4.4
249.10374	2.3
249.13936	3.2
250.07501	4.7
250.11159	3.3
251.11914	26.9
252.12523	4.7
253.13577	1.6
262.07239	1.5
262.10941	2.1
263.08286	3.8
263.11871	5.9
264.09152	9.0
264.11639	2.3
265.09802	29.9
265.13376	6.6
266.10480	2.1
275.11914	1.7
276.08945	2.1
277.09836	17.6
278.10590	26.0
279.11249	5.3
280.12137	2.2
281.09393	1.9
282.10071	2.2
283.10886	2.6
285.12433	2.7
290.10648	1.8
291.11447	15.6
292.09009	2.3
292.12122	18.7
293.09622	1.2
293.12924	34.7
294.13257	1.9
295.10730	2.1
296.11603	2.7
297.12488	16.8
313.11996	1.9
317.12885	1.8
319.10840	4.4
321.12555	1.9
324.11050	3.3
325.11945	3.3
325.15482	3.0
335.10495	4.0
336.11066	6.3
337.11942	14.4
342.12527	1.9
343.13092	1.8
344.13879	2.0
346.15536	1.5
349.15372	1.7
351.13513	2.8
353.15204	1.6
355.13165	1.4
358.15494	2.8
359.16504	1.4
360.17117	2.7
361.11926	2.8
369.14655	2.5
370.15430	2.2
370.19507	1.8
371.07440	2.2
372.13120	1.9
372.17230	11.6
373.17850	3.6
374.18726	5.1
385.17874	3.9
386.14890	2.7
387.15860	1.7
390.18149	2.6
393.14633	2.4
398.14813	1.6
399.16003	1.6
400.16718	3.3
403.18912	1.4
404.16022	2.3
406.17712	2.3
414.18311	11.5
415.18942	2.9
418.17740	13.9
419.18417	2.0
432.19284	4.5
436.18762	4.0
437.19412	1.8
458.17047	6.6
459.17844	7.7
476.18344	4.8
477.18781	4.0
478.19604	2.9
490.20441	11.1
491.20117	3.1
495.23938	4.9
508.20981	9.3
509.21545	4.1
513.24896	2.0
524.20190	2.6
532.20807	1.6
533.21722	3.4
537.25140	7.3
555.25983	2.6
569.24127	6.8
581.23901	13.2
599.25140	12.0
601.26642	9.6
613.26819	43.7
614.27148	2.9
625.26520	1.6
627.24023	2.2
631.27777	100.0
632.28534	13.2
633.29291	2.0
637.26642	4.2
638.24103	1.9
639.24390	3.3
645.25922	6.4
655.27832	42.4
656.28168	4.8
663.17053	1.5
671.26746	2.3
673.28882	8.8
677.25763	4.0
685.28699	2.8
726.27197	1.5
761.30334	8.3
793.33051	30.4
793.46655	2.6
794.33356	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	793.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03450	2.7
59.01384	21.2
61.98833	1.5
69.03423	1.3
69.49251	5.0
71.01389	35.6
72.89452	1.1
72.99345	1.1
73.02947	9.9
80.82298	1.2
83.01395	6.8
85.02957	19.8
86.00096	2.3
87.00890	2.4
89.02444	2.5
95.01395	2.0
99.00885	4.7
101.02448	20.2
102.85281	1.2
112.01662	1.0
113.02473	9.7
115.00384	18.1
119.03487	1.5
120.08235	1.0
122.06162	2.8
125.02462	1.2
129.01955	2.2
133.01486	1.7
133.02946	3.3
134.03758	1.3
135.04559	2.7
159.02950	2.2
160.01672	1.3
161.02428	5.0
161.04559	1.6
167.10681	1.4
167.71877	1.2
179.03477	3.6
185.11856	3.3
187.13354	1.3
193.05003	1.4
268.18613	1.1
268.34909	1.0
347.17123	19.7
349.18454	1.4
513.56311	1.3
587.16498	1.3
596.76788	1.2
599.25586	1.7
613.26721	6.8
631.27228	4.9
677.34003	100.0
678.34326	5.6
753.58844	1.5
759.18347	1.3
793.34778	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	793.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05573	2.5
58.26304	2.8
59.01392	17.9
61.98843	2.9
70.31275	2.9
71.01378	23.4
82.92686	2.4
89.02480	3.2
99.00835	3.9
101.02459	4.2
109.06580	4.0
151.00435	5.0
151.04018	7.6
155.44090	2.8
161.04637	3.4
171.10289	31.7
181.12352	4.6
182.87912	2.9
199.09720	27.8
199.13434	6.2
201.11333	34.3
207.10262	22.0
216.60585	2.8
225.11263	22.1
235.08328	6.6
253.09277	12.6
277.21741	100.0
278.22043	3.6
322.49884	3.0
435.18918	7.9
461.20401	7.0
516.32269	3.2
516.40594	3.1
695.40179	8.4
721.41583	10.1
739.42499	6.3
757.43762	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	794.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01383	7.0
64.35501	0.2
69.27113	1.2
71.01386	6.8
73.02962	0.7
77.03971	0.3
81.03504	0.3
83.01406	0.3
85.02960	6.6
86.00115	0.5
87.00882	1.4
89.02465	2.6
89.03988	0.3
91.63622	0.2
95.01402	1.8
98.21882	0.4
101.02470	1.3
105.03477	1.1
106.91683	0.2
113.02464	9.8
114.02804	0.4
115.01944	0.4
117.03493	1.8
119.03534	0.2
121.02946	0.3
123.04563	0.6
127.04060	0.2
131.03525	2.4
132.02180	2.8
133.02969	44.9
134.03835	3.0
135.04541	12.8
136.04878	0.4
137.02321	0.3
149.04613	0.4
160.01663	0.4
161.02457	100.0
162.02794	4.1
163.04045	0.2
175.04042	0.5
179.03511	6.3
180.03857	0.4
191.05629	0.8
193.04985	1.1
265.85358	0.2
400.73480	0.2
632.22034	0.7
662.20862	0.3
794.25183	40.5
795.25580	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	794.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.7
59.01384	14.1
69.25959	1.4
69.26356	0.8
71.01390	8.1
73.02946	1.5
78.14840	0.4
83.01387	0.5
85.02957	1.9
87.00883	3.5
89.02452	11.3
95.01395	0.5
97.02987	0.7
98.22273	2.0
101.02448	8.1
106.22078	0.5
113.02468	4.2
115.67087	0.4
119.03522	2.4
125.02480	0.8
128.03552	100.0
129.03888	1.7
131.03481	0.5
133.87875	0.5
143.03532	1.8
161.04584	2.2
179.05626	8.4
203.05614	1.0
221.06674	2.4
263.07712	0.7
341.10965	6.3
383.11966	12.9
383.16675	0.9
443.14063	3.7
485.15100	3.7
487.59686	0.4
503.16669	0.9
618.88538	0.5
665.21484	29.4
666.21930	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	795.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57636	0.3
59.01384	8.3
60.81357	0.3
64.35954	0.3
64.40984	0.3
70.45435	0.5
70.45788	0.4
71.01382	5.1
72.99319	0.4
73.02953	1.2
77.03952	0.4
81.03458	0.3
82.57360	0.3
83.01402	0.6
85.02966	2.3
87.00874	1.4
89.02448	1.9
90.99015	0.3
95.01402	0.4
99.00863	0.4
99.04554	0.3
101.02432	2.8
103.04105	0.3
105.03447	0.9
107.05062	0.4
109.03009	0.4
113.02466	1.8
115.04055	0.4
117.03445	1.8
119.03493	0.3
123.04503	0.4
127.04041	0.5
131.03528	2.8
132.02173	3.6
133.02969	46.0
134.03688	2.2
135.04541	12.7
136.04875	0.4
143.03519	0.3
149.04543	0.5
160.01688	1.1
161.02457	100.0
162.02788	2.9
175.04012	1.2
179.03510	4.6
191.05692	1.2
193.04971	0.5
207.35039	0.3
260.75735	0.3
269.10275	1.4
270.80829	0.3
415.16034	0.8
433.86987	0.3
547.20367	0.8
549.39667	0.3
589.21454	0.4
619.20465	0.6
651.22778	0.6
709.23102	1.1
751.24573	37.9
752.25067	4.3
795.25726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.4
59.01385	100.0
66.92220	1.1
69.03470	3.7
71.01392	12.2
71.09859	1.5
73.02959	11.5
74.48341	1.1
77.30516	1.1
80.02691	1.4
81.03465	7.7
83.01399	2.4
83.05047	5.7
84.02215	1.8
85.02962	36.4
89.02461	3.3
93.03477	4.1
95.05048	5.0
97.02962	13.0
99.00844	2.5
99.04528	10.6
101.02467	11.7
109.02933	1.9
109.06620	1.3
111.04526	26.3
111.05242	2.2
113.02480	4.8
119.03489	2.8
119.05066	1.4
121.02986	4.5
121.06618	3.6
123.04535	4.5
123.35496	1.4
125.02450	7.3
125.06080	3.1
127.08025	1.0
136.99730	1.1
137.06099	14.0
139.04013	25.2
139.05009	1.9
143.03476	1.7
149.04529	2.9
151.85573	1.2
155.07173	1.3
161.04581	5.5
163.87549	1.1
165.05580	36.6
179.05627	1.6
183.06633	44.5
201.07767	2.8
203.03665	1.1
203.05693	1.9
285.06177	2.3
310.38007	1.2
357.94751	1.2
363.12817	6.8
387.12964	15.1
388.12991	1.2
500.95139	1.4
639.94244	1.4
663.64661	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	795.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87691	0.7
59.01385	5.8
61.23615	1.0
71.01382	4.2
72.99376	0.9
80.05055	1.0
85.02985	1.8
89.02447	1.0
93.72411	1.0
96.04566	1.6
106.06641	1.6
110.06142	3.1
115.00417	4.9
122.06142	4.1
124.04067	1.8
132.56204	1.0
133.01453	4.7
133.02994	3.2
134.03766	1.9
135.04584	5.7
135.05475	1.4
136.03989	1.9
137.07239	4.1
138.05649	2.0
145.02983	1.6
152.07184	2.7
161.02481	12.4
163.05170	2.2
163.08777	3.5
174.05620	1.1
175.08783	2.2
179.03525	4.0
188.07124	1.7
191.08293	3.1
197.16780	0.9
199.08742	2.1
207.07715	1.5
209.09302	15.1
217.09853	3.3
224.09558	1.5
235.07269	10.9
237.10243	4.8
238.11008	1.4
239.11951	4.0
251.08284	1.0
251.11990	1.5
252.12627	2.0
264.09088	1.8
265.09781	2.6
268.14554	1.6
269.12000	1.1
279.11328	3.8
280.11703	2.9
281.09503	1.4
281.12958	1.9
283.10907	1.4
294.12622	2.7
305.09457	1.6
308.10614	4.9
308.13797	1.6
309.15137	1.4
317.11328	1.7
321.11731	1.6
322.12048	2.9
324.11490	1.5
335.12567	1.6
336.13684	5.8
337.14352	10.6
360.17438	1.7
369.13141	1.9
440.29242	1.0
442.23315	1.0
447.20306	1.9
459.20313	4.0
477.21069	1.3
485.18274	2.2
503.19479	6.2
521.20288	10.9
547.17712	1.4
549.23468	2.8
553.23102	5.7
579.21301	1.3
585.23737	4.0
603.24744	2.8
629.22443	5.1
635.19904	1.3
637.33435	1.1
647.23694	23.9
647.32050	0.9
648.23962	1.6
661.25037	3.2
679.26300	100.0
680.26526	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	795.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.1
61.26215	0.9
61.98826	1.0
63.76707	0.8
69.23793	3.8
71.01389	5.4
73.02947	2.4
85.02968	4.9
88.98825	1.5
89.02457	3.3
96.96015	1.5
99.00892	3.8
101.02472	2.2
113.02451	1.1
115.00400	1.3
121.02960	9.9
125.02474	1.0
133.01418	1.2
133.02969	1.7
134.03708	1.0
135.04581	1.7
147.04549	3.4
149.02458	55.9
161.02464	3.4
161.04613	1.1
163.03975	1.3
164.04807	50.3
165.05122	0.9
173.05389	0.9
175.00363	3.2
179.03424	1.1
179.07106	4.8
190.02731	7.1
205.05070	8.2
208.03789	1.8
223.06126	100.0
224.06483	3.6
248.89909	0.9
272.62180	0.8
347.16992	1.4
421.17584	1.2
430.04834	1.0
444.14008	1.0
580.51917	1.1
679.25482	1.3
679.35510	1.2
751.32184	2.0
795.35724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01814	1.7
59.01089	4.0
59.01382	76.2
71.01383	55.5
72.99294	2.6
73.02953	8.7
75.00828	1.8
75.20853	1.8
79.97827	1.8
83.01393	3.3
85.02959	10.7
87.00881	20.6
89.02445	64.3
95.01382	3.2
96.80001	1.6
97.02987	2.6
99.00848	1.9
100.76052	2.0
101.02448	48.8
101.03111	2.6
109.02982	2.0
113.02466	24.0
119.03520	11.9
125.02439	7.3
126.31079	1.8
130.08748	4.8
131.03487	7.1
143.03499	11.4
161.04536	9.7
179.05623	32.9
183.01399	2.3
203.05643	6.5
221.06682	14.3
235.08356	1.8
263.07913	1.9
274.57129	1.9
281.08905	2.3
323.09930	3.0
341.10913	23.0
348.96078	2.2
383.11960	64.2
384.12234	2.3
425.12888	2.1
443.14014	11.8
485.15085	13.5
665.21509	100.0
666.21777	9.6
726.64252	2.0
741.02795	1.9
808.33514	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	797.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01385	8.6
62.91665	0.2
69.03456	0.6
71.01390	6.1
72.99315	0.8
73.02960	1.9
81.03471	0.3
83.01382	0.7
85.02960	2.9
87.00881	0.9
89.02464	1.8
89.03989	0.6
95.01389	0.7
95.05051	0.3
97.02963	0.7
98.22652	0.6
99.00881	0.6
101.02439	1.9
104.02706	0.4
105.03440	0.9
107.05048	0.5
108.02219	0.2
109.02982	0.3
111.00850	0.2
113.02462	6.7
115.01906	0.4
117.03512	0.9
119.03447	0.2
121.02967	0.2
123.04552	2.2
125.02460	1.5
127.04041	0.2
131.03493	1.4
131.69025	0.2
132.02185	2.9
133.02971	47.1
134.03682	1.7
135.04538	23.8
136.04863	0.7
143.03566	0.4
149.04579	0.6
153.05573	1.9
155.03529	0.8
160.01648	0.3
161.02458	100.0
162.02806	3.1
163.04053	0.2
179.03503	5.6
180.03729	0.3
191.05647	0.9
193.05101	0.6
225.23309	0.2
229.02945	0.2
297.09824	1.1
315.10950	1.4
357.12469	0.2
461.16650	1.6
503.17566	0.5
541.03900	0.2
582.45886	0.2
593.20892	0.5
623.19592	0.3
635.21918	5.9
636.22375	0.5
665.20789	0.4
668.80011	0.2
679.18829	0.3
755.23676	0.2
797.25140	40.5
798.25403	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	797.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.5
61.98831	0.4
67.60705	0.4
68.20456	0.3
69.03458	1.2
69.72382	0.4
71.01392	7.8
71.39864	0.6
72.99326	0.5
73.02962	1.6
81.03460	0.4
83.01363	0.9
85.02958	5.0
87.00890	1.3
89.02463	2.5
95.01408	1.4
97.02972	1.1
101.02470	2.5
105.03471	1.3
107.05013	0.5
113.02468	6.8
117.03503	1.3
121.02980	0.5
122.23898	0.4
123.04564	3.1
125.02471	1.0
131.03529	1.7
132.02196	4.0
133.02980	49.5
134.03847	3.6
135.04550	24.9
135.05644	0.4
136.04852	1.1
137.02464	0.7
143.03529	0.5
149.04576	0.6
149.06190	0.5
153.05615	1.8
155.03514	0.9
160.01674	0.9
161.02469	100.0
162.02800	3.9
171.10249	0.5
175.04030	0.7
179.03534	9.1
180.03888	0.9
191.05550	0.9
193.05066	3.4
235.53470	0.4
297.09808	0.9
315.10803	1.7
315.14203	0.5
333.15558	1.8
375.16446	2.9
383.94421	0.4
404.23514	0.4
461.16565	1.6
503.17810	0.8
621.18719	0.6
635.22107	6.7
636.22345	0.4
665.20654	0.8
667.19403	1.1
679.17963	0.5
694.21826	0.5
775.24146	0.9
797.25092	41.0
798.25238	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	797.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01386	11.3
61.98833	0.9
69.03443	0.8
71.01387	9.2
73.02949	1.6
73.32397	0.8
83.01399	1.1
84.38783	0.8
85.02954	6.0
87.00899	1.7
89.02428	3.2
89.77355	0.8
95.01397	1.1
98.21812	1.9
99.00942	0.9
101.02443	2.2
105.03445	0.8
113.02457	7.9
114.92793	0.8
117.03499	1.1
121.39204	0.7
123.04559	1.9
125.02428	0.9
131.03506	1.5
132.02182	3.9
133.02969	48.2
134.03807	6.4
135.04533	27.1
136.04875	1.2
153.05615	2.9
158.76984	0.8
160.01685	4.5
161.02460	100.0
162.02859	4.5
175.04010	4.0
179.03522	18.4
180.03841	1.7
191.05623	1.0
193.05054	6.9
276.12003	0.9
312.35916	0.7
315.10800	1.4
461.16519	2.0
635.22058	5.0
667.22339	1.5
753.27136	0.8
781.73853	1.1
797.25146	41.3
798.25470	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	797.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01388	7.1
62.41798	0.6
69.32537	3.5
69.60873	0.6
71.01386	5.0
72.99326	0.7
73.02953	2.6
83.01420	1.0
85.02956	6.0
87.00874	1.1
89.02456	1.4
89.79118	0.8
98.39104	0.7
101.02443	2.1
105.03484	0.9
109.02979	1.0
113.02472	2.1
117.03474	1.7
117.66804	0.7
123.04539	1.0
129.93289	0.8
131.03534	0.9
132.02185	3.1
133.02969	39.3
134.03777	10.1
135.04541	16.9
137.02477	1.2
146.35263	0.7
149.06099	1.2
151.03979	1.0
160.01669	4.5
161.02458	100.0
162.02785	3.3
163.04073	5.3
165.01935	2.0
175.04004	4.0
177.05594	0.8
178.02782	0.9
179.03508	9.2
181.05022	1.3
183.10274	1.6
191.02013	1.3
193.05080	8.4
208.04147	0.7
209.03018	1.5
221.04622	1.3
361.44662	0.8
435.97675	0.7
436.32965	0.7
621.20392	0.8
681.26776	1.7
693.27692	0.9
711.28546	5.3
753.29773	49.1
754.30804	5.1
765.23169	1.0
797.24847	8.6
798.26105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95887	0.6
59.01372	1.0
60.44910	0.6
66.69842	0.7
67.27806	0.7
69.09981	3.2
71.01402	0.8
85.02959	2.3
95.26145	0.7
117.93023	0.8
135.04526	1.3
142.06638	100.0
143.06973	3.2
154.85864	0.7
161.02396	0.8
186.05618	62.5
187.06018	2.9
191.01631	0.7
245.12962	14.5
248.99008	0.8
389.07312	1.7
507.92871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
59.44554	0.2
61.98835	100.0
66.32652	0.1
73.23730	0.2
157.65817	0.2
160.01724	0.2
161.10414	0.2
175.04039	0.3
212.79654	0.2
270.11746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
59.01383	6.0
64.80823	0.8
65.03941	1.0
70.92986	1.0
71.01389	7.6
81.03495	1.2
83.01412	0.8
85.02953	7.7
87.00869	3.2
89.02445	2.3
91.06982	0.7
91.08569	0.7
93.03459	3.0
95.01398	3.5
101.02441	1.8
105.03478	1.8
107.05058	1.0
108.02193	5.2
109.02957	4.4
111.00858	1.4
113.02460	7.8
117.03484	3.1
121.02937	2.9
123.04527	1.2
125.02424	1.1
131.03540	4.9
132.02191	3.9
133.02972	58.6
134.03763	37.9
135.04553	30.3
136.01717	4.9
136.04884	1.0
137.02458	13.2
144.61880	0.8
147.00917	0.9
149.02429	2.8
149.04608	1.6
149.06091	3.6
150.03265	1.2
151.04005	5.1
153.01898	0.8
154.02773	1.1
160.01735	2.0
161.02461	100.0
162.02809	2.5
164.01146	2.3
165.01938	20.8
175.04007	4.3
177.01968	4.0
178.02682	3.2
179.03522	29.7
181.01349	1.1
182.02225	1.4
191.05643	1.6
193.05077	33.0
194.05334	0.9
203.03516	1.8
219.03154	1.1
229.11417	0.8
286.67548	0.8
305.06717	1.0
327.05154	5.1
341.06583	3.8
359.07834	1.3
389.59912	0.8
601.17407	1.6
619.18945	4.4
621.18884	1.0
754.87012	1.0
767.20721	2.4
781.22070	2.5
799.23157	41.1
800.23560	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	799.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.0
59.01385	7.3
63.15630	0.6
64.61676	0.6
67.01897	1.3
69.47253	1.1
69.47670	2.6
70.47402	0.6
71.01401	5.4
73.02956	1.0
81.03452	1.0
83.01379	0.7
85.02961	7.6
87.00900	2.2
89.02452	3.0
89.03987	1.1
92.27517	0.6
93.03462	2.9
95.01411	2.4
99.00892	1.2
101.02447	1.6
105.03474	1.7
107.05078	1.3
108.02183	4.1
109.02972	4.2
109.03584	0.8
113.02467	7.3
117.03468	4.0
121.02960	2.5
123.04507	1.2
131.03502	4.0
132.02179	4.9
133.02974	57.4
134.03770	35.6
134.04568	0.5
135.04556	25.5
136.01662	5.6
136.04842	1.5
137.02463	13.3
147.00874	0.8
149.02449	2.0
149.04578	2.4
149.06087	2.5
151.04010	3.6
153.01877	0.9
154.02733	0.9
159.04433	0.9
160.01675	3.6
161.02460	100.0
162.02773	4.6
163.00504	0.8
163.04036	0.9
164.01161	1.7
165.01952	22.5
175.04025	3.9
177.01987	3.2
178.02727	2.7
179.03519	36.9
180.03763	0.8
181.01428	0.8
182.02199	1.2
191.03751	0.8
191.05664	1.9
193.05070	36.7
194.05408	1.8
203.03497	2.2
219.02942	0.8
233.04616	0.8
233.06728	1.4
243.03339	0.7
245.04399	0.7
283.06049	0.7
305.06851	1.0
307.08255	1.6
326.04272	1.8
327.05057	8.9
341.06683	8.7
343.08228	1.2
355.13757	2.0
359.07837	1.5
543.27924	0.7
566.53320	0.8
601.17657	1.2
605.16626	1.1
619.18768	5.5
619.44293	0.7
620.18768	1.2
704.23322	0.9
734.99841	0.8
767.20776	3.6
781.22028	4.5
799.23138	32.8
800.23633	4.8
831.56323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
70.71866	1.0
71.01390	23.3
72.99318	3.6
74.28342	0.5
85.02945	1.0
87.00890	1.9
88.04053	2.0
89.02454	6.2
96.07551	0.5
101.02465	2.6
113.02454	1.5
115.00384	54.7
116.00677	0.5
119.03515	0.5
131.57722	0.6
132.03078	3.4
133.01448	100.0
134.01779	1.6
155.51588	0.5
161.04572	0.7
179.05606	1.7
221.06711	0.7
268.19363	0.6
344.91034	0.6
383.11893	2.8
665.21509	7.3
666.22314	1.1
701.19220	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	799.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
66.97684	0.3
67.72115	0.3
70.62736	0.4
70.63073	0.5
71.01385	19.6
72.99313	5.2
86.37354	0.4
86.91976	0.3
87.00903	1.0
88.04062	1.8
89.02445	4.1
101.02460	1.0
113.02446	0.4
114.01994	0.4
115.00381	54.1
116.00723	0.5
132.03040	3.9
133.01439	100.0
134.01782	1.3
148.26508	0.3
179.05623	0.7
221.06491	0.4
288.76547	0.4
295.99991	0.4
298.83768	0.3
300.50046	0.3
319.15186	0.4
325.54684	0.4
383.11966	1.3
503.80966	0.4
507.98010	0.4
665.21161	3.2
701.18652	0.6
764.32568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03004	1.0
59.01380	10.0
70.51189	1.9
71.01384	8.1
72.81548	0.9
72.99335	1.9
85.02969	4.6
89.02451	8.1
91.14820	0.9
93.03468	1.4
95.01408	1.2
97.02949	1.0
99.00909	6.2
101.02447	3.1
107.25645	1.0
111.04473	1.4
111.54120	0.9
113.02492	7.3
117.03449	1.6
119.01406	1.3
119.03525	1.2
119.05025	3.7
121.02959	13.6
131.03505	1.2
132.02197	1.5
135.04539	1.9
137.06073	1.5
147.00922	1.2
147.04568	4.8
149.02454	89.6
150.02791	0.8
161.02414	1.2
161.04536	1.5
163.04015	1.8
164.04800	61.6
175.00342	6.6
179.05708	1.3
179.07143	5.3
190.02716	16.5
191.05702	1.1
193.01529	2.3
205.05057	20.6
208.03755	7.5
211.06146	1.9
223.06125	100.0
224.06424	1.6
299.11386	2.3
327.20282	1.0
413.14609	26.1
413.20258	1.4
414.14938	2.0
431.15680	8.0
465.75269	1.0
575.19995	2.1
637.21802	5.1
799.26538	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	799.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88923	0.4
59.01381	7.5
69.03479	0.9
71.01389	6.6
72.99256	0.5
73.02935	1.0
76.25537	0.5
77.42023	0.5
83.01385	0.7
85.02962	4.4
87.00877	2.1
89.02457	5.3
89.03980	0.8
93.03442	0.5
95.01399	1.1
95.35605	0.4
97.02953	1.9
101.02449	1.5
103.04034	0.6
109.02952	1.5
113.02457	8.3
117.03487	3.5
121.02983	1.2
122.03767	1.0
123.04532	10.9
127.03942	0.6
131.03499	5.0
132.02193	6.7
133.02963	1.8
134.03754	56.8
135.04317	1.6
137.02469	1.6
140.33772	0.6
143.03516	1.4
149.02501	4.7
149.04562	5.6
149.06084	8.2
150.03246	18.0
150.36229	0.6
151.04022	18.5
152.04346	0.7
153.05627	0.7
160.01672	24.9
161.02431	5.1
161.04515	1.2
163.04021	1.3
175.04016	26.7
176.04239	0.6
178.02734	8.3
187.04108	0.9
191.03787	0.7
191.05611	4.3
191.07201	0.8
193.05070	100.0
194.05411	2.9
205.05116	0.6
227.85419	0.5
233.06717	5.4
247.06116	1.0
259.06131	1.4
265.07230	1.2
277.09283	1.4
319.08240	1.1
337.09256	2.1
405.53091	0.6
489.16205	3.0
505.46164	0.7
573.18188	1.8
591.19391	5.0
594.75281	0.6
615.19061	2.4
635.19757	1.4
637.20630	1.0
654.90027	0.6
767.24127	37.3
768.23926	2.7
799.27393	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	799.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01391	15.0
64.37897	1.0
71.01386	19.2
72.99321	3.0
73.02946	2.6
84.22504	1.0
85.02956	24.4
87.00879	4.0
89.02442	8.7
89.03939	1.2
95.01408	6.2
95.05066	1.2
98.21863	2.1
101.02459	4.4
102.09200	1.1
113.02451	31.3
116.92862	2.6
117.03467	4.6
117.92896	2.1
118.92680	2.6
121.02957	6.3
122.03716	1.5
123.04516	1.2
131.03529	6.8
132.02190	19.6
133.02968	29.5
134.03754	55.4
135.04565	10.0
137.02446	2.4
138.03207	2.2
149.02440	2.3
149.04514	1.9
149.06062	5.7
150.02010	2.0
150.03229	28.9
160.01677	61.4
161.02457	67.8
161.04576	2.3
162.02771	2.4
168.04347	5.1
175.04013	47.4
176.04419	1.5
178.02731	4.9
179.03497	8.1
183.06659	3.8
191.05589	3.9
193.05072	43.0
194.05368	2.5
209.34387	1.1
265.07214	1.7
305.04388	1.3
306.07504	1.4
491.17838	1.9
605.21252	2.5
623.21942	14.6
624.23267	1.2
637.22729	1.9
667.22308	4.9
711.34692	1.4
784.24426	3.9
799.26733	100.0
800.26990	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	799.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01384	100.0
60.01717	0.7
64.58856	0.7
71.01393	9.6
71.40317	0.8
73.02956	3.1
77.44318	0.6
83.01405	1.0
83.05008	1.6
85.02965	5.8
85.66941	0.7
85.74277	0.6
87.39787	0.6
89.02451	4.1
93.03500	1.2
95.01397	0.6
99.00890	1.0
101.02467	5.6
111.04526	7.2
113.02450	3.5
115.00398	0.8
119.03560	1.4
135.04559	1.0
149.34232	0.6
161.04581	3.1
179.03616	0.5
179.05656	1.0
183.10309	1.5
191.02089	1.0
204.12808	0.7
209.03139	1.8
232.01999	0.6
235.13353	0.7
247.13634	1.1
251.12968	2.7
261.14886	0.7
331.17590	3.7
345.17197	2.7
373.18674	11.6
493.82458	0.6
551.90735	0.8
762.76410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98820	0.6
63.28757	0.5
65.99865	0.5
66.03488	1.1
67.03016	5.8
70.62291	0.7
71.02486	0.7
73.04070	0.9
80.05075	0.7
81.04572	1.5
84.00901	2.3
87.05651	1.0
93.04590	19.4
98.02491	1.0
99.02031	1.3
105.04582	0.6
106.04115	0.7
106.05197	0.5
107.04923	0.5
108.05687	6.2
109.04111	0.9
110.01220	0.5
110.02524	0.9
110.03593	1.5
110.07205	0.7
113.03584	1.0
113.07227	6.7
115.08783	2.4
118.04116	1.8
120.05663	0.9
125.03573	0.8
127.05172	2.3
129.10352	11.9
130.08791	0.6
131.04886	2.0
134.03667	1.0
135.05653	1.5
136.05156	3.8
139.08813	5.2
140.07196	2.3
141.06708	1.9
141.10326	0.8
144.07777	1.3
145.49207	0.5
151.08775	16.1
152.09126	0.6
153.06691	7.8
153.07852	4.6
153.10312	0.5
155.08286	8.1
161.02408	1.7
163.05037	0.7
163.08789	0.5
164.04637	0.8
164.09540	1.8
165.10300	0.5
167.08224	0.7
167.10590	0.7
167.11900	1.6
168.11430	1.4
169.09865	3.3
170.09349	1.2
174.05467	1.7
177.10242	0.6
181.09781	0.5
183.11383	1.2
183.15018	1.2
186.12509	1.5
188.10619	0.5
188.11984	5.2
193.13480	2.7
194.12999	0.9
195.11388	2.0
195.14964	0.7
197.16632	1.0
200.14037	1.4
204.11429	1.7
205.14568	1.5
207.15033	9.5
210.12480	0.7
211.14514	0.7
212.14067	9.2
221.14098	1.7
223.12154	1.1
224.10490	3.3
224.17683	4.2
225.16109	0.6
226.12007	1.1
228.17105	1.4
231.12531	14.5
232.10966	2.8
239.15205	1.0
242.18832	4.0
248.15143	2.6
249.13551	2.8
251.15071	0.9
254.15161	0.7
264.20718	0.8
266.16183	3.2
269.16327	0.9
280.20367	0.9
281.19843	1.2
283.13934	0.6
307.21558	3.6
308.21896	0.6
323.24628	1.6
325.22375	3.3
337.19409	0.8
341.25381	0.6
379.24579	1.1
382.24533	0.6
394.21997	0.7
420.29831	2.8
438.30917	5.5
478.31192	0.8
536.33588	0.5
566.36688	2.3
590.34155	2.0
603.36328	1.5
604.35925	2.3
632.38739	1.3
688.45087	2.4
799.48438	100.0
800.48676	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	801.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01385	10.8
61.37503	0.6
70.76523	1.0
71.01393	9.6
72.99328	1.0
73.02927	1.0
74.02443	0.8
81.03470	0.8
85.02959	12.0
87.00874	1.8
89.02467	4.2
93.03506	1.3
95.01364	3.2
95.05031	0.8
96.89056	0.7
101.02499	0.8
105.03442	1.2
107.05050	0.8
108.78315	0.7
109.43803	0.7
113.02464	14.5
117.03494	2.1
121.02956	4.2
123.04546	3.2
125.36900	0.7
131.03540	3.3
132.02165	4.3
133.02977	51.4
134.03816	14.3
135.04549	49.9
136.04860	1.2
137.02438	1.5
141.05612	1.2
142.75195	0.8
143.04655	1.5
149.02458	3.1
149.04533	1.0
149.06104	0.7
156.86064	0.7
160.01649	3.1
161.02464	100.0
162.02812	5.0
165.01958	1.5
175.04034	2.7
177.01965	0.8
179.03517	52.4
180.03828	1.9
181.05084	1.1
181.56366	0.7
189.39894	0.7
191.05739	1.3
193.05078	10.4
194.05464	1.3
205.06810	0.9
272.08899	1.7
311.59909	1.0
334.35043	0.7
619.18842	2.9
621.18842	0.9
725.23260	2.4
751.20947	1.8
757.25763	14.0
758.25781	1.1
769.21985	4.6
783.23511	6.7
801.24719	23.5
802.25024	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01387	8.5
69.07750	6.2
71.01386	10.1
73.02964	1.7
83.01434	1.1
85.02968	12.1
87.00880	1.8
89.02449	3.3
95.01387	4.1
98.21915	2.8
100.62016	1.0
101.02463	1.8
105.03437	1.3
113.02459	15.5
117.03501	1.8
121.02950	4.3
123.04533	2.3
131.03511	2.8
132.02184	4.4
133.01924	1.7
133.02966	47.7
134.03796	14.9
135.04541	49.6
136.04895	1.9
137.02525	1.8
138.42381	0.9
141.05557	0.9
143.04710	1.1
149.02469	2.0
149.06076	1.3
151.04050	1.4
160.01675	3.1
161.02463	100.0
162.02808	6.8
163.02899	1.0
165.01859	1.9
175.03993	2.1
178.02759	1.8
179.03514	53.0
180.03876	3.1
191.05605	1.4
193.05078	10.6
194.05299	1.4
203.03566	1.1
210.08713	1.1
272.08890	1.4
285.86102	0.9
292.03705	1.1
323.07651	1.1
333.15335	1.1
425.12918	1.0
619.19012	2.3
624.80280	1.3
725.23334	2.0
729.81018	1.0
751.22015	1.5
757.25385	11.8
769.21643	4.4
783.23553	4.9
801.24396	24.1
802.26245	2.1
819.66382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.1
59.01385	16.8
61.76060	0.6
68.99800	0.7
69.30009	2.5
69.30410	1.1
71.01389	9.5
72.99298	1.1
73.02946	6.2
75.00867	3.0
81.79915	0.5
83.01387	4.9
84.02180	1.2
85.02957	100.0
86.03298	0.6
87.00887	1.9
89.02444	1.2
96.96014	0.9
97.02963	0.5
99.00912	0.7
101.02455	6.0
108.02129	0.5
111.00883	7.1
113.02464	3.5
115.00368	1.0
122.21773	0.5
126.75188	0.4
129.01953	15.2
131.20923	0.5
133.02985	1.4
134.02757	0.7
134.03754	8.0
135.04553	2.6
147.02989	5.5
149.04526	0.6
160.01662	1.6
161.02463	3.4
161.04582	1.5
162.03233	2.3
173.00929	7.2
175.04016	1.5
177.05618	1.3
178.02654	0.7
179.03461	2.7
191.01997	20.5
193.05075	6.8
200.99136	0.5
235.86754	0.5
261.07605	0.5
323.04349	0.5
323.07864	2.1
329.16208	1.5
337.07166	1.8
347.17017	2.0
352.09387	0.6
353.06537	1.9
367.06726	4.3
371.11462	2.3
371.17050	2.8
383.11441	6.2
389.18185	12.5
424.66336	0.5
457.20871	1.9
501.19760	1.8
501.90308	0.5
519.20825	6.7
521.19104	0.8
539.19965	1.1
561.17780	1.9
563.19641	4.7
581.20923	11.4
582.21625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.8
57.03451	12.8
59.01386	15.8
65.66958	0.6
69.03458	0.8
70.09193	0.5
71.01385	8.9
72.84867	0.7
72.99313	1.0
73.02949	2.6
75.00874	2.9
83.01392	4.6
84.02184	1.5
85.02959	100.0
86.03316	0.9
87.00885	2.3
88.83649	0.7
89.02466	1.2
96.96008	0.8
99.00864	1.0
101.02444	4.5
103.13314	0.7
111.00899	8.2
113.02445	2.6
115.00372	0.9
117.03490	1.2
124.64979	0.6
129.01959	17.6
133.02957	1.6
134.03746	12.4
135.04532	1.8
136.14894	0.8
147.03027	5.1
149.06081	1.1
160.01691	2.3
161.02460	2.2
173.00931	8.8
175.04028	2.7
179.03481	1.6
191.01985	9.3
193.05067	11.6
261.07626	1.4
262.70480	0.7
267.47687	0.6
286.17398	0.6
294.89267	0.6
323.07690	4.5
329.16061	2.1
347.17105	1.8
367.06802	4.4
371.17133	2.6
375.87424	0.7
389.10403	0.7
389.18231	15.7
457.20578	1.6
501.19885	2.0
519.20923	6.7
563.20068	4.3
581.20972	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	801.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
59.01385	6.2
59.98896	0.4
63.24315	0.4
63.84886	0.5
65.03966	5.6
69.03459	17.0
69.19669	2.6
71.01387	0.8
73.02937	0.8
80.02670	1.3
81.03455	3.6
83.05033	27.1
85.02950	1.2
85.06597	0.9
95.05016	2.2
96.96002	0.5
97.06613	2.0
105.07113	0.7
107.05042	0.7
108.02207	1.2
109.02967	1.2
109.06577	1.7
110.03750	0.5
113.02459	10.8
121.02930	0.6
121.06612	1.1
123.08153	4.4
127.04023	9.5
134.03784	0.6
135.04552	1.9
137.06096	1.1
137.09726	0.9
139.07712	1.3
149.06097	0.7
149.09734	1.1
150.06949	0.9
151.07663	20.4
157.06654	0.9
161.02452	1.4
161.06082	1.2
163.07695	1.5
164.08470	0.6
165.09230	3.0
173.09642	0.6
176.08386	0.5
179.03590	1.5
185.06102	0.7
193.08633	0.9
193.12367	0.5
195.10083	0.5
199.07629	0.8
201.09241	4.3
203.10934	0.7
204.07918	0.7
207.13942	3.2
217.08730	0.5
217.12257	0.6
218.09503	1.3
219.10341	1.2
226.09984	1.3
229.12361	1.1
231.10384	0.9
232.11086	1.8
233.11783	2.3
235.13440	5.0
243.10382	1.0
243.13875	0.6
244.11035	0.6
245.15623	0.7
246.12640	2.3
247.13417	1.1
251.12946	1.8
255.13921	1.4
258.12650	4.8
259.13275	2.9
261.14972	25.4
262.15216	0.8
269.11798	1.7
270.12369	0.7
271.17047	1.2
273.14960	5.0
273.17957	0.7
281.15601	1.7
283.13507	1.5
284.14072	2.7
287.12830	2.4
288.13757	6.4
289.18140	0.7
297.14972	0.7
299.13162	1.2
299.16550	20.8
300.16763	0.8
302.15216	4.3
317.17599	22.8
318.18094	0.9
325.14346	1.8
335.14993	0.6
343.15552	5.3
361.16589	29.1
362.16953	1.0
379.17648	100.0
380.18121	4.7
385.16611	2.3
403.17776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.3
59.01384	70.0
65.03951	1.6
69.03476	10.7
69.69033	2.4
69.69383	2.5
71.01388	45.4
72.99285	2.5
73.02959	9.5
75.89283	1.1
78.06612	1.4
81.03488	1.7
83.01395	4.2
83.05021	5.6
84.49952	1.4
85.02957	14.2
87.00880	11.3
89.02454	31.8
95.01398	4.1
95.05023	1.4
97.02969	8.5
97.06586	4.1
99.00869	4.6
101.02451	27.6
105.07162	1.8
109.06628	2.4
111.08141	4.2
113.02464	15.0
119.03491	5.9
123.08154	2.8
125.02424	8.6
125.09729	16.9
131.03513	1.8
132.54260	1.3
137.09752	1.6
143.03477	2.4
145.05037	1.7
161.04578	5.0
171.10289	35.6
179.05592	8.1
183.13896	1.3
185.00908	6.6
185.11882	1.8
187.09804	1.5
187.14958	1.8
193.12387	1.2
197.13570	1.2
205.15897	3.3
208.03545	1.3
209.11801	9.1
211.13414	14.7
215.14417	8.7
221.06642	3.8
221.15474	2.0
231.13924	4.5
233.15477	47.5
234.15768	1.6
235.08195	3.3
249.14983	19.9
251.16417	2.1
263.07703	2.2
320.13947	1.2
331.26422	4.4
341.24774	4.2
357.24509	1.8
367.22760	3.1
375.25455	3.4
379.12454	2.0
385.23871	16.4
393.26367	2.4
397.13531	21.4
403.24890	33.6
404.25180	2.2
415.14661	3.4
421.25934	14.3
583.25574	1.5
639.33600	1.6
671.36566	4.7
773.39783	4.1
783.38116	100.0
784.38428	8.0
801.39221	61.3
802.39911	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	801.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
58.00586	2.1
59.01384	83.2
59.14159	1.8
61.98856	2.5
69.03468	17.6
69.34332	10.2
71.01387	54.3
72.99316	2.2
73.02961	11.5
73.66523	1.8
81.03467	4.8
83.01382	6.1
83.05037	6.7
85.02961	17.4
85.06607	5.2
87.00883	10.0
89.02456	45.7
95.01391	6.7
95.05117	1.8
96.96023	2.1
97.02963	8.3
97.06598	4.7
99.00880	7.0
101.02451	32.2
111.08151	4.4
113.02460	20.7
119.03520	8.5
123.08164	2.5
125.02460	12.1
125.09725	15.1
137.09750	2.3
141.01915	3.4
143.03551	4.6
161.04607	9.9
171.10275	50.4
179.05620	12.2
185.00917	7.7
205.15993	8.6
209.11835	10.2
211.13322	11.5
215.14485	5.8
221.06657	6.5
221.15559	4.0
231.13919	6.9
233.15489	48.9
235.08165	5.8
249.14949	37.0
251.16544	3.0
263.07550	2.6
333.74136	2.2
341.24796	7.7
359.26147	2.7
367.22769	4.1
375.25232	4.6
379.12262	3.9
385.23892	23.3
397.13617	26.7
403.24936	43.6
415.14740	5.7
421.26038	18.9
422.26230	2.6
551.14630	2.1
629.28107	2.7
647.29346	3.3
773.39136	3.9
783.38123	89.5
784.38678	7.5
801.39264	100.0
802.39716	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.0
61.98831	4.2
69.03456	0.9
71.01388	11.7
71.07994	0.9
73.02952	2.6
85.02971	1.8
87.00888	3.0
89.02444	8.7
96.96023	2.6
97.02954	2.2
98.09215	1.1
100.71504	1.1
101.02439	5.8
110.74899	1.0
113.02466	4.9
119.03494	1.9
125.02457	2.4
145.48636	1.1
156.47289	1.1
161.04570	1.6
179.05602	3.1
183.13925	7.0
193.12302	1.7
211.13405	100.0
212.13786	3.8
235.08238	2.3
323.09402	1.2
379.12415	2.4
397.13522	20.4
415.14618	4.3
472.37860	1.2
526.79358	1.2
591.27032	3.7
609.27863	4.0
785.40497	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65001	0.5
59.01385	15.7
61.98816	1.0
69.03468	1.3
71.01382	9.2
71.30391	0.7
73.02950	2.0
78.51046	0.5
78.96371	0.5
83.01401	1.3
85.02983	2.4
85.40956	0.4
87.00876	2.2
89.02461	8.2
91.91950	0.6
97.02963	1.6
99.00907	0.6
101.02451	6.7
101.72898	0.5
113.02457	4.4
119.03487	2.3
119.80431	0.5
125.02466	3.2
126.02992	0.4
131.03502	0.5
143.03459	1.1
161.04561	2.4
167.14441	0.9
172.29683	0.5
179.05627	2.0
183.13911	7.6
193.12251	2.3
211.13416	100.0
212.13695	3.5
221.06697	1.2
233.48232	0.6
235.08200	2.4
287.07764	0.8
305.09000	0.6
323.09940	0.7
358.23712	0.5
379.12491	3.7
397.13531	21.0
398.13968	0.6
415.14584	4.8
415.19638	0.9
591.26709	3.8
609.27679	5.4
785.39911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
59.01386	34.6
61.98831	2.7
69.03473	1.9
71.01389	21.0
72.99313	2.1
73.02942	5.2
79.41388	1.7
81.03464	1.7
81.62473	1.5
83.05058	2.3
85.02958	6.2
87.00851	4.0
89.02447	15.1
97.31326	1.9
101.02445	12.1
107.33385	1.6
113.02460	5.3
119.03511	6.1
125.02451	4.3
136.44907	1.9
142.05737	1.5
143.03506	1.8
161.04591	3.3
174.00349	1.5
183.13893	5.6
183.95795	1.4
193.12311	3.2
211.13419	79.2
212.13710	3.0
213.15056	1.7
235.08171	3.6
265.17932	1.9
311.13092	1.7
315.27042	2.4
325.25363	6.9
341.24734	1.9
342.73526	1.6
343.26346	5.6
351.23291	1.8
359.25836	6.2
361.27454	5.2
369.24564	8.2
379.12177	2.5
387.25504	10.4
397.13449	12.9
399.65933	1.7
405.26578	25.2
415.14572	6.9
591.26575	2.7
609.27448	4.5
785.39227	2.2
803.40771	100.0
804.41504	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	804.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
61.95267	0.2
61.98834	100.0
71.01392	0.7
72.10719	0.2
76.60443	0.2
85.02959	0.4
87.00935	0.2
89.02428	0.2
92.31142	0.2
96.96021	0.3
99.02016	0.5
112.05214	0.3
113.03574	0.3
113.07227	0.5
121.39814	0.3
129.10399	0.2
130.06261	0.5
133.02968	0.3
146.06120	0.4
151.08788	0.5
160.02867	0.2
161.02466	0.5
170.09358	0.8
179.03555	0.6
186.05647	0.5
203.08360	0.3
242.09477	0.5
250.41075	0.2
260.10461	1.0
265.16693	1.3
283.17899	0.8
340.19751	0.3
390.21790	0.3
424.10757	0.2
541.30463	0.3
542.30914	0.6
544.29376	0.6
697.36743	11.0
698.36975	1.4
741.39056	1.5
742.53241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	36.6
60.97806	2.3
61.49276	2.1
61.98805	2.4
63.54033	2.3
69.03456	2.3
69.06950	10.4
69.07360	7.0
71.01080	2.4
71.01393	27.1
73.02942	6.2
83.01421	3.7
85.02948	8.2
87.00881	6.8
89.02454	17.7
97.02963	3.8
98.22713	4.2
101.02444	16.2
113.02421	11.0
119.03525	4.3
125.02433	6.2
179.05618	5.5
180.82130	2.2
183.13895	17.7
185.04665	2.1
195.13895	41.5
198.51329	2.9
202.60727	2.4
211.13409	73.4
212.13705	6.7
213.15137	11.9
235.08142	3.4
253.09389	3.0
359.25946	6.4
377.26874	9.0
389.26981	3.6
397.13419	11.4
407.27969	41.4
415.14529	10.4
417.21008	2.5
425.29196	32.4
459.24323	2.7
575.52240	2.5
805.42358	100.0
806.42871	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	805.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.79555	0.3
59.01384	2.1
61.98826	0.9
63.27983	0.3
66.85463	0.3
69.15412	2.0
71.01380	0.5
71.05045	0.4
83.05025	0.6
95.05028	0.9
95.74506	0.3
97.06616	0.3
98.22616	0.7
98.98662	0.3
111.07403	0.4
111.08169	7.9
113.09715	0.5
135.11913	0.4
137.09743	0.7
138.00418	0.4
139.11238	0.4
149.09734	0.5
167.10793	1.9
177.12814	1.6
179.10828	1.6
193.16034	0.4
195.13940	5.4
202.95114	0.4
203.14291	0.4
203.81024	0.4
247.20706	1.9
253.09349	0.5
273.18625	1.1
277.21765	5.0
284.14713	0.4
291.19672	100.0
292.20062	5.0
345.23032	0.3
390.33539	0.4
403.84003	0.3
407.74030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98831	0.6
68.76715	0.2
71.01395	2.2
73.02946	0.3
85.02943	0.8
89.02449	1.9
91.35886	0.2
101.02449	2.2
111.08231	0.4
112.54465	0.2
113.02450	1.1
119.03508	0.6
121.88990	0.2
143.03500	0.3
161.04553	1.1
171.10252	1.2
177.16496	0.3
179.14436	0.7
195.13904	7.1
196.14659	1.2
199.68378	0.3
205.12408	0.7
223.13408	4.8
224.14182	0.4
228.13675	0.5
231.21165	0.5
235.08290	0.7
253.09306	15.8
254.09686	0.5
256.13303	1.2
275.20160	6.5
293.21246	100.0
294.18466	0.5
294.21588	6.2
304.19189	0.3
492.22400	0.5
529.30609	0.7
569.42065	1.7
679.17383	0.3
803.26801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60877	0.6
59.01373	3.2
65.15760	0.5
69.28910	1.5
69.29313	1.2
70.07513	0.5
71.01390	4.7
85.02967	4.5
87.48949	0.4
89.02462	1.6
90.80411	0.5
95.01419	2.8
101.02437	1.1
103.89217	0.5
105.03451	0.9
105.52676	0.5
107.43480	0.5
108.96613	0.5
113.02454	12.5
117.03443	0.9
123.04524	0.7
132.02171	1.2
133.02972	29.4
135.04550	14.6
153.05556	0.6
161.02458	100.0
162.02875	2.5
177.96971	0.6
179.03526	5.1
252.12877	0.5
259.79715	0.5
292.05292	0.6
292.94464	0.5
315.10941	1.3
356.89752	0.5
455.68445	0.5
461.16779	4.1
488.47620	0.6
623.19855	65.2
624.20380	5.0
718.55334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.2
59.01384	100.0
69.03474	2.2
69.31886	2.8
69.32273	2.9
71.01389	48.3
72.99293	2.5
73.02957	30.0
75.00896	1.6
78.33562	1.2
79.77345	1.2
80.11449	1.2
81.03452	3.8
83.01382	6.6
85.02959	23.1
87.00887	17.6
89.02453	25.7
95.01391	4.7
95.96827	1.1
96.96010	1.3
97.02950	8.0
99.00900	3.3
99.04540	1.5
101.02459	40.4
109.02962	4.8
113.02456	28.9
115.00368	1.4
119.03510	11.4
122.03735	1.6
125.02458	17.0
126.03191	1.6
127.04033	8.7
131.03485	2.7
133.02997	2.7
134.03758	10.3
134.36743	1.2
135.04536	2.8
137.02499	1.3
137.06090	2.0
139.04054	1.9
143.03482	6.4
149.04611	2.2
149.06087	5.9
151.04073	1.4
152.04805	6.1
161.02419	4.8
161.04596	11.8
167.07124	2.8
175.04016	2.4
179.03767	1.3
179.05637	3.2
191.01967	1.5
193.05042	1.4
203.05649	8.9
221.06644	5.0
245.06697	2.2
275.09262	2.3
329.12375	1.8
455.15540	2.8
473.16690	16.5
491.17853	12.2
515.17554	9.7
533.18799	38.9
534.19464	1.5
575.19678	7.1
583.20294	2.0
601.21613	5.8
614.94849	1.4
619.22278	8.1
625.21252	4.7
637.23669	2.7
643.22626	7.3
661.23523	23.9
662.24670	2.0
679.24622	20.6
680.25220	1.5
703.24762	7.8
721.25635	33.4
722.26483	2.8
725.40552	1.5
763.26788	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	807.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.6
60.60268	1.6
65.55373	1.6
69.20202	11.2
71.01385	21.6
84.67203	1.8
85.02956	3.1
89.02460	6.1
101.02493	3.3
110.06131	3.6
113.02464	3.2
115.00379	20.6
121.05344	4.8
122.06116	18.4
133.01454	6.0
133.03035	2.2
134.06104	3.4
136.07701	2.6
144.04494	1.8
161.04778	2.4
162.05629	1.7
164.49954	1.6
174.05614	7.0
210.07735	3.7
215.11827	3.2
237.10382	6.7
239.11861	2.6
241.09842	5.2
249.10301	3.9
251.08295	2.0
251.11789	4.4
253.09761	3.3
254.10664	2.2
256.12149	7.0
263.08255	9.0
264.09079	14.1
265.09891	7.8
269.13150	2.3
277.09848	12.9
278.10635	8.0
279.11389	9.4
281.09259	2.8
281.12695	2.1
283.10907	4.2
293.09338	3.3
295.10837	3.1
300.11148	9.5
301.15631	2.4
305.09427	2.7
308.11456	3.4
309.09036	2.7
309.12473	7.2
310.13113	2.4
315.13565	8.6
322.09601	12.5
323.10260	5.3
323.13947	2.7
336.10919	2.3
337.11960	36.4
338.12784	9.2
342.12637	2.7
343.13397	2.8
344.14240	3.4
351.13736	2.3
354.12390	2.3
358.15582	7.0
359.16461	2.2
360.17157	4.2
370.11835	5.1
371.12714	4.3
372.13486	8.1
380.10309	3.8
381.10986	19.6
385.14001	2.8
386.15039	30.5
396.13376	2.7
399.16196	2.1
400.16745	6.5
401.17590	2.0
404.16339	2.0
413.13760	3.0
418.17776	28.8
419.17902	3.1
427.15399	2.3
428.16080	19.5
442.17551	2.4
458.17725	4.1
460.18475	3.3
462.16992	2.5
472.19104	3.0
487.17950	2.0
492.20868	2.9
504.21619	2.6
505.22507	9.0
505.29108	2.1
506.22919	6.4
536.20435	6.5
540.23926	3.2
541.24225	3.4
550.21960	2.7
565.24347	4.0
568.22980	55.0
569.23248	4.4
583.25714	9.4
595.25531	21.5
609.23578	2.8
627.28430	100.0
628.28113	6.7
659.27307	78.1
659.38605	2.8
660.27954	9.8
691.29865	65.4
692.30121	6.3
693.87897	1.9
807.34436	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	807.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.2
69.39807	2.5
69.40210	1.6
71.01384	14.8
72.99312	0.8
73.02939	2.2
76.12850	0.7
85.02956	2.7
87.00817	0.7
89.02450	5.8
95.01408	1.1
95.05058	1.1
101.02456	4.7
106.06635	0.8
107.03740	1.0
110.06109	1.1
113.02459	3.2
115.00381	8.8
119.03491	2.0
121.05359	2.0
122.06128	11.1
124.07664	0.9
133.01457	1.9
134.06143	2.0
135.04514	0.9
136.07681	1.5
138.05600	0.8
160.04149	1.1
161.02454	2.7
161.04663	1.2
162.05672	1.3
164.07164	0.9
174.05573	2.5
203.05946	1.3
204.70108	0.7
210.07791	1.5
213.06766	0.8
213.10359	1.4
215.11877	1.8
222.08002	1.0
223.08745	1.0
224.09549	0.8
225.10420	1.3
229.54408	0.8
235.08707	0.9
236.09462	2.0
237.10291	4.1
238.11099	2.1
239.11867	2.3
241.09853	2.7
249.06799	1.7
249.10292	2.2
250.07419	0.9
250.11208	1.1
251.08263	2.3
251.11975	2.1
254.10599	1.4
255.11368	1.2
256.12234	3.6
262.11166	1.2
263.08157	5.8
263.11975	0.8
264.09018	11.1
265.09888	5.2
277.09781	6.9
278.10565	3.9
279.11465	4.6
283.10840	1.4
293.09464	0.8
295.10776	1.5
296.11658	1.7
297.12299	1.5
300.11078	4.4
301.15781	3.9
305.09082	0.7
307.10962	1.2
308.11707	0.9
309.12381	3.5
315.13602	3.4
321.08856	1.6
322.09686	6.1
323.10278	2.8
323.13693	0.8
325.12021	2.3
328.10934	2.3
329.11969	1.1
330.12280	0.9
335.10391	0.8
336.11301	1.5
337.11951	13.3
338.12698	5.4
339.13428	1.0
342.12381	2.2
343.13370	3.2
344.13824	3.8
345.14868	1.3
346.15649	1.4
351.13489	3.0
356.10345	1.4
356.14175	1.5
358.11975	0.9
358.15741	6.1
359.16379	1.4
360.17133	2.3
369.14566	1.3
370.11551	3.5
371.12646	3.4
372.13382	7.3
374.18750	1.2
380.10132	1.7
381.11020	9.2
382.15753	1.0
383.16281	1.2
384.13266	1.4
384.17456	1.2
385.13998	3.8
386.15152	24.6
387.15598	2.7
398.15237	1.1
399.15887	2.1
400.16550	5.3
404.16074	1.5
410.14911	0.8
411.15759	1.1
413.13361	1.2
416.15863	1.5
418.17758	24.2
419.18225	2.3
426.14853	1.1
427.15182	1.6
428.16180	9.5
429.16925	0.9
432.19336	1.1
453.22977	0.9
458.17178	2.2
460.18820	1.8
472.18573	2.6
473.19672	2.2
474.19940	1.4
487.16916	0.9
493.19037	1.3
504.21341	4.1
505.22540	5.6
506.22549	3.9
509.21762	1.5
521.18036	1.3
522.17975	0.8
527.26123	1.4
536.20319	3.2
537.20789	1.8
540.23859	3.3
541.24628	4.4
550.21802	1.4
553.24335	1.3
565.25415	1.1
568.23059	21.3
569.23145	2.6
583.25531	3.3
595.16815	1.3
595.25763	18.8
596.25739	1.2
615.28571	1.2
627.28357	100.0
628.28625	8.3
641.25891	1.3
659.27277	36.7
660.27728	3.4
670.26819	0.9
691.29846	29.2
692.30450	3.1
708.77557	0.8
775.31592	1.9
807.34698	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	807.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05276	0.6
59.01384	10.2
61.98817	1.1
64.01510	0.7
69.30846	3.8
71.01396	5.5
73.02934	0.9
85.02966	2.6
89.02448	3.2
96.96021	3.9
101.02457	2.1
106.05786	0.8
113.02435	1.2
119.03453	1.0
121.05331	1.5
122.06105	1.8
133.02962	1.1
134.03728	1.1
135.04520	1.7
161.02455	2.2
179.03593	1.3
211.05077	0.8
212.61174	0.7
222.07968	11.1
235.55927	0.7
236.09616	1.3
237.10390	8.0
239.11818	1.0
249.06688	12.5
250.07507	9.9
254.07045	1.5
262.07593	1.4
263.08279	2.5
263.11835	2.8
264.08975	6.1
265.09818	39.6
266.10382	0.9
275.08395	0.9
276.09106	2.9
277.09723	6.1
278.10641	1.7
279.11383	1.1
291.11368	3.3
292.12234	1.3
297.12518	3.6
304.08490	5.9
309.12488	0.9
319.10901	18.2
320.11252	1.6
351.13513	67.8
352.13937	3.1
366.00665	0.8
372.13516	2.6
383.16119	26.7
384.16504	1.4
385.14758	0.9
504.21167	1.1
505.22232	32.8
506.22470	2.2
595.25854	3.6
627.28290	100.0
628.28748	6.7
685.28754	1.8
775.31958	2.8
807.35114	4.0
834.29266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.0
59.01392	7.6
71.01392	5.0
75.00838	1.6
83.01392	3.3
84.02173	2.3
85.02958	100.0
89.02438	2.6
111.00870	3.2
129.01949	6.7
134.03766	2.9
147.03011	14.5
173.00935	2.5
178.89969	1.2
181.48444	1.2
191.01991	54.5
193.05074	2.3
209.03055	19.4
229.75760	1.5
246.98576	1.7
324.42480	1.3
385.07791	19.0
433.97223	1.5
662.90857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.7
64.30453	1.0
65.00317	5.3
67.01891	2.8
71.01382	1.4
83.01392	46.2
85.02955	25.1
91.01899	15.2
95.01397	1.4
102.70445	0.9
107.01392	2.5
108.02184	41.3
108.02925	2.3
109.02962	1.7
111.00890	72.2
112.01174	1.2
115.58979	1.0
117.99513	0.9
119.62479	1.0
123.00914	11.8
123.04536	59.6
124.01682	10.9
124.04832	1.8
127.00420	1.3
129.01952	49.3
130.02245	0.9
133.02931	4.5
134.03783	1.8
135.04491	2.1
136.01663	15.4
136.98801	2.1
145.02922	1.7
146.03748	2.4
147.04459	1.9
151.04027	2.5
152.01161	20.5
153.01550	0.9
154.99908	9.4
158.03824	1.1
160.01662	1.2
161.02448	7.7
163.04036	4.4
164.04790	6.5
165.05232	1.1
166.02716	4.9
167.03508	100.0
168.03745	2.0
174.03238	27.2
175.03902	1.9
179.03494	2.2
189.05576	21.7
190.02701	2.8
190.05966	1.5
191.03365	1.0
192.04297	24.5
202.02686	4.1
207.06648	31.5
208.06984	1.5
212.02777	1.0
217.05058	1.2
218.02225	2.0
220.03760	4.1
233.04550	21.2
235.06143	56.1
261.04041	36.2
262.04324	1.4
279.05109	47.5
280.05402	1.6
317.06525	1.3
323.03976	3.1
357.09839	34.3
358.09912	1.3
376.28958	1.2
385.09326	30.2
386.10223	1.0
447.08908	1.1
455.00836	1.1
491.07925	1.3
509.09302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35514	1.0
59.01382	23.3
61.98827	1.1
65.12120	0.9
69.27999	5.0
71.01387	12.4
73.02951	4.4
83.01411	3.0
86.00117	1.8
87.00887	3.9
89.02447	5.0
89.03993	1.2
90.93324	1.0
93.03482	1.1
96.96024	2.2
97.02957	1.4
101.02428	4.9
107.15721	1.0
113.02457	8.8
117.03463	5.1
123.04521	1.3
124.54620	1.2
125.02422	1.7
127.04034	2.1
131.03503	6.1
132.02193	25.5
133.02971	45.2
134.03760	51.8
135.04549	14.9
143.03571	1.2
149.04871	1.4
149.06107	5.4
152.35938	1.2
155.03496	1.5
160.01672	81.7
161.02458	94.2
161.04607	2.9
162.02780	5.3
167.03575	1.0
175.04013	100.0
176.04367	4.0
179.03534	7.3
179.32626	1.2
191.05606	2.8
193.05069	48.0
194.05412	1.2
198.92197	0.9
217.05096	1.1
235.06155	3.1
269.10330	2.2
291.59918	1.1
298.90561	1.1
299.05853	1.1
355.44507	1.3
415.15860	1.5
547.20526	2.9
633.21973	1.7
635.22736	1.4
765.26166	70.3
766.26697	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	809.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.03560	0.6
59.01094	0.4
59.01387	8.7
61.98837	3.0
69.03461	0.6
69.07243	3.0
71.01389	5.1
72.99293	0.5
73.02950	1.4
78.91288	0.4
81.03481	0.5
81.66234	0.4
83.01410	0.5
87.00883	1.3
89.02454	3.1
89.03933	0.5
93.03426	0.5
95.01373	0.7
97.02947	1.0
101.02441	2.1
113.02439	3.9
116.92643	0.4
117.03479	33.9
118.03759	0.6
119.05035	20.3
125.02467	1.1
131.03496	2.5
133.03004	0.5
134.03749	0.5
135.04601	0.5
137.06053	1.1
143.03548	0.7
143.04987	0.5
145.02968	100.0
146.03320	2.4
149.04584	0.5
150.32166	0.4
153.39261	0.5
155.03513	0.4
161.02444	1.6
163.04018	18.1
179.03526	0.6
183.83780	0.5
191.05524	0.7
193.04997	0.5
223.06097	0.6
281.09952	0.4
314.68695	0.5
429.77637	0.5
445.16867	0.5
487.18021	0.6
619.22510	4.7
629.26202	1.1
765.26160	32.6
766.26697	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	809.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01384	15.8
65.79671	0.5
71.01385	7.3
72.73495	0.5
73.02953	0.7
85.02958	7.0
86.00111	0.6
87.00880	1.8
88.98841	1.0
89.02467	3.9
89.03963	0.8
92.95636	0.4
95.01377	2.3
101.02454	1.8
105.03495	1.2
113.02460	11.8
117.03478	1.6
119.03530	0.6
121.73998	0.5
123.04529	1.0
131.03499	2.8
132.02174	3.5
133.02974	45.4
134.03705	2.1
135.04536	14.8
135.05519	0.9
137.02477	0.6
149.04601	1.0
161.02460	100.0
162.02824	2.3
179.03522	6.2
191.05632	1.1
333.15369	0.5
370.56577	0.6
647.22736	0.9
709.94543	0.6
809.26337	46.0
810.26538	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	809.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.2
59.54448	1.6
64.27773	1.8
65.99865	3.6
67.45739	1.8
68.84621	1.6
69.44913	3.7
69.45294	4.2
71.01392	14.6
85.02958	8.2
89.02454	6.0
93.55091	1.7
99.00853	1.7
101.02447	5.2
102.08343	1.7
108.00940	1.7
108.04580	2.5
113.02476	6.1
119.03526	2.0
122.06155	13.4
124.07744	2.0
132.02223	3.5
133.01712	2.9
133.02968	9.5
134.02515	7.1
134.03703	4.4
134.06204	2.2
135.04547	9.2
136.07703	2.3
160.01697	6.6
161.02481	15.7
161.04681	2.2
172.07718	2.1
174.09291	4.2
175.04047	7.8
176.03569	3.7
179.03500	7.0
187.13394	2.4
190.08774	4.7
193.05116	4.5
199.08757	2.4
200.07237	3.0
202.08768	2.9
213.06731	1.7
213.10292	1.8
220.09798	3.9
225.06781	2.5
226.07471	1.9
239.08282	4.3
240.08994	2.8
241.09816	3.8
253.09833	3.4
267.07727	4.0
269.09311	5.2
273.08823	10.0
276.09201	1.9
277.09811	2.2
279.07755	2.7
280.08578	2.6
289.09698	1.8
291.11426	10.2
293.09427	4.0
294.10211	5.4
295.10934	6.7
301.12018	5.6
315.09811	2.0
321.08731	3.8
321.12265	2.2
322.09769	2.5
335.10117	2.9
353.11328	2.6
354.12228	6.1
355.16614	7.1
381.14703	5.9
386.15228	3.2
388.13058	2.2
390.14737	1.9
398.14954	2.9
402.14679	2.9
416.16220	4.4
422.17212	15.1
428.11697	2.1
442.14087	2.8
472.18677	1.8
474.10880	2.0
474.16446	9.5
475.17465	11.5
476.18137	6.0
490.19885	5.3
506.19556	3.1
507.20248	2.1
508.20972	29.3
553.24713	2.7
567.22607	2.4
579.22717	3.5
597.23633	32.8
611.25220	18.4
612.25195	2.2
615.24347	10.7
629.26221	100.0
630.26752	7.6
647.27472	3.3
671.26910	3.9
721.24799	3.1
728.25116	2.8
777.29895	7.9
784.83276	2.4
809.27063	7.9
825.37347	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	810.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
61.98837	0.9
67.40611	0.9
69.35473	4.1
71.01385	4.1
72.94055	1.1
73.02942	1.4
73.04084	5.0
74.02406	0.9
80.05085	1.1
83.05057	1.0
85.02936	2.9
87.05647	10.8
88.04047	0.9
89.02441	1.7
97.04071	2.3
98.02491	2.1
99.00866	1.2
99.01996	4.4
101.02422	1.4
106.25240	1.0
109.04070	2.3
111.02001	1.5
111.05649	1.5
113.02438	3.0
113.03584	3.5
113.07219	5.2
115.00384	2.0
116.05074	1.4
122.06129	1.5
125.07240	1.7
126.06715	1.2
127.05113	1.2
127.08858	1.0
129.10344	3.9
130.09883	1.5
133.01474	1.1
133.03012	4.7
134.03786	1.3
135.04585	6.6
137.07191	1.8
139.08801	1.6
140.03571	1.4
140.08275	1.0
141.10379	2.1
144.07773	4.1
146.06120	3.8
149.02417	1.8
149.07243	1.5
151.08763	3.6
152.08302	2.5
153.06702	3.8
154.06204	1.5
155.08282	2.6
155.09389	1.1
160.01668	3.1
161.02477	9.6
162.02824	1.7
166.09875	7.3
166.12386	1.3
167.08295	2.2
168.11484	2.1
169.09819	3.9
170.07990	1.9
170.09367	29.0
171.21419	1.1
175.04024	3.2
179.03481	6.9
183.12531	7.3
183.83467	1.2
184.10887	3.7
185.07155	2.5
186.12485	2.9
193.04971	1.4
196.14606	4.9
201.13574	10.1
208.12004	2.6
208.14548	1.1
209.12985	2.4
214.12448	1.3
223.06090	2.3
225.14627	2.4
226.15611	3.6
227.11507	1.2
238.91747	1.1
239.15100	3.0
241.13391	2.2
242.11940	2.6
243.15616	3.5
243.18132	1.9
251.12062	1.4
259.14499	9.4
263.08026	1.3
265.09668	1.2
265.16748	1.5
276.17090	2.1
279.11227	2.2
283.17838	1.7
296.20813	4.2
299.15146	3.8
302.15500	1.0
314.21863	1.8
317.16159	1.6
321.12317	1.8
325.11353	1.1
336.13705	1.4
338.22943	1.8
341.08926	1.7
355.21213	1.8
356.19772	2.0
365.11026	1.1
426.25204	1.6
430.24826	1.3
444.26154	2.9
486.28555	1.6
487.12408	1.4
520.17511	1.3
521.20135	2.2
524.20313	2.5
550.31134	1.6
567.33899	2.6
600.34106	2.0
623.39948	1.5
630.26038	1.7
657.38440	7.5
695.25952	6.2
768.44257	4.2
809.77814	1.9
810.46381	100.0
811.46582	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	811.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18920	1.1
59.01369	4.7
69.30281	5.9
71.01379	4.6
73.93666	1.1
77.03973	4.2
83.00381	1.2
85.02948	4.5
85.06566	1.0
86.38954	1.1
87.00886	1.9
89.02449	1.8
89.03952	1.4
93.03451	4.3
95.01426	2.7
95.05024	6.7
101.02437	1.7
105.03471	16.1
109.02953	4.1
113.02462	3.0
121.02959	12.6
122.03765	1.2
123.04510	4.7
131.03491	1.4
132.02165	3.7
132.08673	1.1
133.02972	100.0
134.03732	3.0
135.03526	2.3
135.04543	38.4
136.04889	1.5
137.02464	1.2
139.03989	4.4
145.02928	1.7
149.02454	49.5
149.06100	1.0
150.03146	1.8
151.04015	2.1
159.04544	2.7
161.02463	77.6
162.02760	8.1
163.04025	4.6
165.01917	3.5
174.03249	1.1
175.03963	2.5
177.01939	28.1
179.03508	31.7
180.03839	1.9
187.03957	3.5
189.01965	1.3
189.05508	1.9
191.03548	13.5
201.05611	1.8
203.03545	1.7
221.04433	1.4
231.02977	1.4
233.04561	2.9
233.58449	1.4
245.04442	2.4
249.03949	1.6
267.06546	1.7
305.06683	3.5
321.06335	1.7
457.13602	1.3
585.17828	2.0
589.17407	8.5
601.17743	19.3
602.18555	1.6
617.17395	2.3
623.19391	1.4
624.20135	2.1
625.21295	6.6
627.21552	1.5
688.84314	1.2
726.64697	1.4
751.20923	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	811.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
71.01392	6.8
71.40091	1.6
77.03971	5.0
85.02973	4.3
89.02476	1.6
93.03481	5.2
95.01405	4.5
95.05047	6.2
105.03471	15.2
109.02967	3.5
113.02457	3.6
113.94678	1.4
117.03448	1.5
121.02968	12.7
123.04530	4.9
131.03542	4.0
132.02196	4.8
133.02971	100.0
134.03334	2.1
135.04549	33.8
136.04909	2.0
137.02393	2.2
139.04008	4.1
149.02455	49.1
150.03046	1.8
151.04028	2.9
161.02458	75.7
162.02795	6.8
163.04034	4.6
165.01910	3.5
174.03215	2.3
177.01939	32.5
179.03511	33.6
191.03543	13.1
191.05280	2.4
203.03596	2.3
245.04510	1.8
305.06900	3.2
321.06216	2.0
444.73456	1.9
567.72229	1.8
585.18085	2.4
589.17682	7.4
601.17798	18.9
617.17572	2.0
624.20166	2.2
625.20020	9.9
751.21295	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	811.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37629	1.0
56.94755	0.9
57.03450	1.6
59.01386	17.5
70.85859	0.9
71.01394	15.2
72.99292	1.8
81.03445	1.1
83.01397	1.4
85.02957	13.3
87.00880	3.1
89.02458	8.2
89.03962	1.5
95.01392	3.3
101.02460	4.2
113.02468	24.2
117.03471	3.6
119.03480	1.6
125.02444	1.9
131.03503	5.2
132.02182	26.5
133.02953	4.1
134.03758	54.6
135.04636	5.5
137.06079	1.2
149.04587	1.8
149.06087	6.3
152.04826	2.5
160.01674	100.0
161.02496	6.7
161.04585	2.7
167.07173	2.9
175.04019	99.7
176.04405	3.5
178.02774	4.9
179.03491	4.2
180.04259	1.1
191.05583	1.2
193.05081	38.1
194.05354	1.4
259.71170	1.0
265.07300	1.1
475.18167	1.4
589.21277	2.9
607.22406	12.2
608.22784	1.9
651.22919	2.9
765.25775	2.2
783.27264	68.8
784.27405	9.8
811.26239	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	811.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37629	1.0
56.94755	0.9
57.03450	1.6
59.01386	17.5
70.85859	0.9
71.01394	15.2
72.99292	1.8
81.03445	1.1
83.01397	1.4
85.02957	13.3
87.00880	3.1
89.02458	8.2
89.03962	1.5
95.01392	3.3
101.02460	4.2
113.02468	24.2
117.03471	3.6
119.03480	1.6
125.02444	1.9
131.03503	5.2
132.02182	26.5
133.02953	4.1
134.03758	54.6
135.04636	5.5
137.06079	1.2
149.04587	1.8
149.06087	6.3
152.04826	2.5
160.01674	100.0
161.02496	6.7
161.04585	2.7
167.07173	2.9
175.04019	99.7
176.04405	3.5
178.02774	4.9
179.03491	4.2
180.04259	1.1
191.05583	1.2
193.05081	38.1
194.05354	1.4
259.71170	1.0
265.07300	1.1
475.18167	1.4
589.21277	2.9
607.22406	12.2
608.22784	1.9
651.22919	2.9
765.25775	2.2
783.27264	68.8
784.27405	9.8
811.26239	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	811.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	2.9
59.01382	50.3
67.03005	1.9
69.13007	7.3
71.01389	31.7
73.02960	6.0
74.02454	3.1
74.76694	1.1
78.69985	1.1
82.02988	2.9
83.01397	1.5
84.04551	5.2
85.02972	6.2
87.00893	11.5
89.02451	41.7
95.01418	1.3
97.02953	1.9
98.22273	6.1
101.02453	32.5
101.07204	2.8
102.05612	3.5
109.04079	9.6
113.02461	18.6
113.15192	1.2
119.03521	10.6
125.02410	4.6
125.03559	2.4
127.05144	23.4
128.03551	11.5
131.03497	1.9
141.01962	1.2
143.03529	6.8
144.02943	1.4
145.01419	1.3
145.06206	69.0
146.04594	4.0
161.04565	5.9
162.75186	1.3
167.88600	1.3
170.39839	1.4
179.05632	26.8
203.05574	3.9
221.06625	10.0
266.74457	1.4
300.18738	1.3
323.09897	2.0
341.10846	17.0
353.04730	1.3
383.11987	48.6
384.12094	2.8
443.14102	11.7
485.15158	13.4
487.56131	1.6
503.16202	3.9
533.90778	1.3
582.39532	1.5
665.21497	100.0
666.22192	7.1
768.08972	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	811.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.4
60.24984	0.2
65.00330	0.3
71.01394	2.0
72.99326	0.4
73.02958	0.6
83.01383	0.5
85.02945	1.1
89.02445	0.8
89.03985	0.4
91.05555	0.4
92.03540	0.2
93.03463	0.7
95.52940	0.2
97.03001	0.3
97.43983	0.2
99.00890	0.7
101.02430	0.6
104.02685	0.3
107.04991	0.2
113.02449	1.2
117.03443	1.0
119.01409	0.5
119.05034	0.7
121.02966	11.9
122.03257	0.3
123.08228	0.4
132.02153	1.3
133.01431	0.3
133.02994	0.4
134.03729	0.2
135.04543	0.7
143.22234	0.2
146.08543	0.2
147.00890	0.3
147.04526	3.6
149.02454	65.4
149.54945	0.3
150.02802	1.0
161.02455	1.2
161.04599	0.4
162.03128	0.2
163.04028	1.1
163.11258	0.4
164.04805	51.2
165.01973	0.3
165.05136	1.4
175.00360	3.6
179.03502	0.4
179.07141	4.6
189.12862	0.8
190.02731	7.5
191.03206	0.4
191.09288	0.2
193.01476	0.8
203.05577	0.2
205.05074	9.5
206.05348	0.3
207.13899	0.8
208.03777	2.2
218.45625	0.2
223.06128	100.0
224.06480	2.7
269.48932	0.2
283.10825	0.2
311.29666	0.2
323.07559	0.2
408.28040	0.2
501.23404	1.4
543.24518	0.6
555.23260	0.2
561.25916	0.5
701.97406	0.2
767.31403	3.8
768.31580	0.5
811.24005	0.3
811.46375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01385	6.6
61.98857	0.6
62.00079	0.4
65.00359	0.4
71.01393	2.6
71.42126	0.6
73.02946	0.8
85.02954	1.5
89.02456	1.4
93.03487	0.9
95.01426	0.5
96.96036	1.2
98.02490	0.6
99.00886	2.8
101.02422	1.1
113.02454	1.2
117.03449	1.0
119.05000	0.5
121.02961	9.8
122.06104	0.8
131.03499	0.7
132.02174	0.9
133.01393	0.6
133.02927	0.6
135.04536	1.7
143.03493	0.7
147.00902	0.9
147.04518	2.8
149.02457	59.1
149.04462	1.6
150.02806	0.9
152.07256	0.5
161.02446	1.8
164.04807	49.1
165.05101	1.3
170.09341	0.7
175.00346	2.7
179.03500	1.2
179.07130	5.1
183.12666	0.5
189.12909	0.7
190.02747	6.4
193.01430	0.5
203.05577	0.8
205.05048	11.3
207.13898	1.1
208.03690	2.3
223.06131	100.0
224.06450	2.1
265.09769	0.5
279.11508	1.0
336.13705	0.9
447.41968	0.5
521.21167	0.7
524.20245	0.7
561.25238	0.6
645.21460	1.0
695.26111	3.6
767.31311	5.9
810.46802	1.0
811.46448	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	812.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01388	7.9
61.98850	1.0
71.01386	9.0
71.03013	0.6
72.99305	0.7
73.02960	1.4
85.02956	11.0
87.00893	1.7
89.02454	5.0
89.03977	0.8
95.01392	4.2
95.05035	0.7
101.02444	3.1
105.03476	1.0
109.02962	0.8
113.02460	17.6
117.03466	1.1
119.03495	1.1
127.04077	0.6
131.03555	3.1
132.02223	4.3
133.02969	47.9
134.03851	3.6
135.04539	22.9
136.04907	1.3
149.04836	3.4
160.01575	1.4
161.02460	100.0
162.02800	3.7
162.71805	0.6
164.07115	3.1
175.04063	1.2
176.12509	0.7
176.87022	0.6
179.03505	15.6
180.03789	1.3
182.08257	0.9
186.83769	0.5
187.93900	0.5
191.05695	0.9
193.05078	1.8
232.88426	0.6
275.81595	0.6
306.07907	1.1
344.13513	1.2
347.95493	0.6
431.19193	0.6
490.18814	1.0
650.23065	6.8
654.88336	0.7
709.22992	0.7
784.25891	3.4
790.22894	0.9
795.23254	0.8
801.01080	0.8
812.26245	44.8
813.26489	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	813.2831
Annotation	Lamiuside E
Peak:m/z	Relative Intensity
57.03430	1.3
58.40456	0.9
59.01381	18.5
62.29295	0.9
67.34514	0.9
69.31061	0.9
69.52544	4.0
71.01030	1.6
71.01386	20.3
72.99288	1.3
73.02950	2.9
81.03451	1.9
83.01360	1.7
85.02961	17.4
87.00883	2.0
89.02444	7.7
89.03957	1.6
93.11034	1.0
95.01411	4.7
96.96013	1.3
98.21935	1.7
101.02438	5.4
105.33704	1.0
113.02453	29.8
117.03461	3.1
119.03497	1.8
125.02460	4.4
127.03969	1.4
131.03493	2.4
132.02182	26.7
133.02983	6.0
134.03757	56.1
135.04480	4.1
137.06110	1.2
143.03452	2.3
149.06114	6.8
152.04787	3.7
160.01672	100.0
161.02452	10.8
161.04588	3.7
162.02759	1.4
167.07152	2.9
167.09048	0.9
175.04016	93.2
176.04373	1.5
178.02692	4.2
179.03473	3.8
179.05600	1.8
190.02728	1.7
193.05067	32.8
203.66537	1.1
221.06706	1.1
240.13931	1.2
265.07245	1.4
275.09351	1.1
337.09164	1.2
475.18121	3.1
562.74792	1.1
619.22461	5.4
623.21942	0.9
637.23645	16.8
651.23090	2.8
813.28186	51.1
814.28278	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	814.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98835	100.0
71.01412	0.2
81.89108	0.1
85.02962	0.2
89.02467	0.2
98.21832	0.4
101.02475	0.1
106.67840	0.1
119.03528	0.1
161.02472	0.1
179.03505	0.2
225.91333	0.1
226.15736	0.2
392.19556	0.1
751.41663	0.9
752.41840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.3
63.21637	1.8
69.03466	2.2
71.01383	13.3
71.28552	1.8
73.02951	3.9
85.02969	8.4
87.00886	8.0
89.02460	7.9
91.01878	9.6
93.03457	2.7
96.13596	1.9
101.02441	13.6
108.02209	10.6
113.02483	8.7
116.35957	2.0
123.04543	40.5
125.02418	4.9
143.03490	2.1
151.00351	2.2
152.01192	13.7
161.02473	2.9
161.04602	2.4
166.02750	6.6
167.03516	100.0
168.03909	2.5
179.03603	2.3
181.05093	5.7
191.05632	90.5
192.06010	2.5
194.02200	3.3
203.05719	2.1
209.04587	24.9
221.06752	4.2
228.72047	2.2
239.05669	7.5
260.41248	2.0
269.06699	4.6
329.09271	2.5
353.08734	14.0
365.10641	2.1
371.09787	13.9
401.11053	3.0
431.11789	4.1
491.14230	2.3
533.15283	10.6
563.16156	3.5
593.17035	5.0
615.29962	2.2
647.20697	3.3
815.24634	48.4
816.25256	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	815.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.4
61.98839	4.6
69.24902	2.0
71.01393	2.6
72.99316	1.1
85.02961	3.0
87.00887	0.6
89.02450	1.0
95.01398	0.8
105.03474	0.4
107.05027	1.4
109.02964	0.9
113.02460	5.1
117.03457	0.6
121.02969	0.6
122.03728	0.5
131.03525	1.0
132.02206	1.1
133.02971	14.3
134.03777	4.1
135.04541	68.1
136.04842	1.8
139.04024	1.4
149.02472	1.6
149.04541	0.4
150.03232	0.4
151.04007	0.6
156.91394	0.4
161.02458	27.9
161.04568	0.9
162.02795	0.9
165.01939	0.6
179.03520	100.0
180.03862	3.3
181.05055	1.2
193.05136	0.4
231.08751	0.4
245.04675	0.6
251.05638	0.9
280.99200	0.4
306.07898	0.5
323.07739	0.6
446.25635	0.4
457.13235	0.4
475.14133	0.6
601.17700	0.5
619.18707	8.8
620.18976	0.9
623.19348	0.6
653.21411	0.6
753.21838	0.6
783.23724	3.4
784.23804	0.6
815.26160	8.8
816.26477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01382	10.8
61.98838	4.0
66.00358	0.4
71.01398	6.5
71.39803	0.6
72.99357	0.4
83.01423	0.7
85.02964	6.5
87.00874	1.0
87.22092	0.4
89.02449	2.9
95.01385	2.3
97.03002	0.5
101.02441	1.1
105.03481	0.8
107.05053	1.5
109.02980	0.8
113.02470	10.9
117.03493	1.2
121.02969	0.5
123.04533	1.0
131.03494	1.2
132.02191	2.4
133.02975	31.5
134.03816	4.6
135.04541	83.2
135.08170	1.5
136.04881	3.0
137.02469	4.5
138.03232	1.8
139.04080	0.5
145.06177	0.5
149.02498	0.5
150.03178	0.5
160.01656	0.8
161.02461	73.5
162.02811	3.0
165.01979	4.7
166.02676	2.3
175.03979	0.8
179.03516	100.0
180.03911	4.6
181.03848	0.6
181.05212	0.7
191.05667	0.4
193.05063	0.8
203.03595	0.5
233.04538	0.8
245.04608	0.4
251.05615	0.8
263.10419	0.5
323.07748	0.5
429.21448	0.6
460.35678	0.4
461.16370	0.5
619.18884	5.0
620.18262	0.6
621.19971	0.8
622.18567	0.7
623.10345	0.7
623.19879	10.5
653.20221	0.8
685.22632	0.6
753.21832	0.6
767.40125	0.5
783.23596	19.4
784.23633	2.8
793.26733	1.9
793.76300	1.5
794.27045	0.5
815.26593	2.7
815.76031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
67.01878	0.3
71.01382	1.4
71.15601	0.3
73.02958	0.3
81.03497	0.3
83.04993	0.2
84.63567	0.2
85.02954	6.6
87.00881	1.6
89.02461	0.5
91.01896	0.3
93.03455	2.9
95.01378	0.4
99.04517	0.4
101.02464	0.7
103.54234	0.2
109.02958	0.6
111.00923	0.2
111.04532	0.7
113.02450	1.4
116.12330	0.2
118.56229	0.2
123.04547	1.4
125.02425	0.3
127.04034	1.4
133.02956	1.0
135.04517	1.8
137.02361	0.3
152.01149	0.7
161.02448	1.7
167.03510	3.7
171.02991	0.5
173.04547	1.0
179.03545	0.7
181.05161	0.3
191.05624	100.0
192.05989	2.5
209.04599	0.7
221.04648	0.2
221.08669	0.3
229.72794	0.2
239.05533	0.4
308.06458	0.2
335.87238	0.3
351.07263	0.4
353.08798	15.0
354.09097	0.7
461.16663	2.4
533.15277	0.6
815.24774	1.4
816.24713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.5
58.78154	0.6
59.01382	27.5
69.27510	2.8
71.01385	9.3
73.02955	7.2
80.96513	2.8
83.01395	2.1
83.85661	0.6
85.02965	3.3
87.00871	1.0
89.02454	5.3
94.98074	1.0
98.36389	0.6
99.00892	0.8
101.02451	7.1
105.34404	0.6
113.02467	3.0
119.03516	1.8
179.03568	1.0
197.27173	0.6
198.43349	0.6
224.58688	0.6
248.71214	0.6
301.21747	6.8
303.23401	4.3
319.22726	3.3
440.06940	0.7
463.26999	5.6
481.28149	19.6
482.28403	1.7
505.28094	1.1
523.29163	100.0
524.29456	6.5
565.29755	1.4
567.43829	0.7
648.70331	0.7
815.48999	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	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01395	1.3
61.98837	0.8
63.96238	2.2
69.03465	0.9
71.01389	11.0
73.02959	2.6
78.95945	0.4
78.98164	0.6
78.98599	7.7
78.99049	0.6
79.95746	16.9
80.96525	100.0
81.03477	1.3
82.96101	0.5
83.01391	0.5
85.02960	3.9
87.00883	3.5
94.98097	21.2
96.96023	1.6
97.02961	2.9
99.00916	0.4
101.02460	3.9
106.98096	3.6
113.02440	0.5
119.94629	0.5
122.97587	4.5
125.02456	3.8
127.04017	1.0
134.97603	6.4
136.99153	1.5
148.99173	7.3
152.98650	8.5
164.98637	15.7
167.00224	0.6
182.99669	0.3
188.98717	0.6
190.28308	0.3
206.99640	3.8
214.73466	0.4
225.00755	22.2
226.01175	0.6
243.01881	0.4
255.23395	2.5
277.21744	1.1
338.46136	0.4
537.27734	0.9
559.25928	2.3
701.48499	0.5
815.49933	61.4
816.50275	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	816.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
58.29264	0.5
59.01383	4.5
60.58516	0.5
61.98549	0.9
61.98834	9.7
62.40696	0.6
66.05290	0.5
69.06393	4.4
71.01376	6.3
73.02975	0.6
85.02943	4.6
89.02467	2.2
94.90932	0.6
95.01396	1.9
104.24673	0.6
105.03516	0.6
113.02448	11.4
117.03471	0.7
123.04514	1.5
131.03500	0.7
132.02191	2.0
133.02966	35.6
134.03290	0.8
135.04538	28.2
136.04875	2.1
161.02455	100.0
162.02798	4.0
179.03502	21.6
180.03867	2.7
190.23557	0.7
202.61249	0.6
290.85275	0.6
315.11026	1.0
461.16559	3.1
516.62439	0.6
623.19855	61.7
624.20142	3.8
707.23511	0.8
753.22491	4.2
784.24359	2.6
793.77045	1.3
794.28381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01391	3.5
61.98833	9.2
62.43677	0.5
70.63479	0.6
71.01398	3.7
84.75086	0.5
85.02961	5.2
89.02456	2.3
95.01404	2.0
98.22619	1.6
101.02449	0.9
105.03455	0.8
109.22942	0.6
113.02458	11.4
113.03175	1.0
114.10480	0.5
117.03512	0.8
123.04568	1.0
132.02180	1.1
133.02971	29.8
134.03754	1.2
135.04544	14.2
153.05634	0.6
161.02461	100.0
162.02805	2.6
171.11861	0.6
179.03508	5.1
194.17854	0.6
224.57893	0.5
250.88383	0.5
315.10956	1.4
461.16760	3.6
497.78226	0.6
623.19830	59.0
624.20172	4.8
734.76050	1.5
735.25891	1.3
753.23315	1.0
816.27032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
63.08595	0.3
69.31593	0.6
69.31980	0.7
71.01385	11.2
72.99311	2.1
87.00891	0.4
89.02450	1.3
101.02438	0.3
107.05048	0.7
115.00387	32.4
116.69892	0.3
133.01447	100.0
134.01772	0.6
134.03767	2.0
135.04536	25.7
136.04855	0.5
149.04562	1.0
177.01973	1.0
179.03516	26.6
180.03818	0.4
197.04436	1.5
269.06677	1.7
295.04611	3.9
341.02185	0.3
354.00775	0.3
357.14096	0.3
357.70331	0.3
522.47540	0.3
596.43518	0.3
709.35651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30862	0.2
59.01391	0.5
61.98819	0.2
69.07770	0.5
69.08183	1.2
71.01385	14.4
74.11303	0.2
84.10954	0.2
85.02975	0.4
89.04006	1.2
115.00379	5.5
117.03472	4.6
133.01434	0.9
133.02924	0.3
134.03749	54.7
135.04056	1.4
137.02449	0.6
149.06099	6.4
160.61430	0.2
161.02431	0.3
163.03990	0.5
167.96040	0.2
172.75876	0.2
178.02693	4.9
193.05066	100.0
194.05394	2.2
309.06183	4.5
320.77524	0.2
728.54266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
65.03966	1.3
65.23432	0.9
69.03461	100.0
69.07491	5.7
70.03809	1.2
70.24673	0.9
71.01381	2.3
72.99327	2.4
73.02955	1.1
79.01906	2.2
83.05028	7.9
84.89471	0.9
85.02958	4.0
89.02429	0.9
95.01382	1.8
95.66307	0.9
97.02961	19.0
99.00887	26.0
101.02383	0.9
108.02166	0.9
110.06130	1.4
113.02470	2.8
119.16666	0.9
120.08214	3.1
122.06123	10.5
127.04037	1.8
133.03023	1.0
135.04555	1.8
141.01981	6.7
151.07657	5.9
161.02489	1.7
174.05621	1.1
179.03596	0.9
185.00920	56.4
193.05121	1.4
203.02029	1.1
235.13530	1.5
237.10384	1.6
246.12601	1.7
250.11183	1.1
251.11917	5.7
258.12787	0.9
261.14963	6.2
264.09134	1.4
273.15146	0.9
276.09225	1.0
277.09888	2.8
278.10638	2.1
279.11307	1.1
288.13647	2.1
291.11505	2.9
292.12131	4.1
293.12927	4.0
295.10904	0.9
299.16443	1.5
317.17578	7.1
336.11340	1.4
360.17413	1.6
361.16614	7.4
372.17245	2.1
374.18808	1.5
379.17645	27.5
390.18256	2.5
414.18387	2.8
415.19177	1.0
418.17889	1.9
432.19257	3.3
436.18796	2.2
458.17279	1.0
476.18146	3.0
477.18967	2.7
508.20987	6.0
537.25287	2.4
555.26215	5.3
573.27600	2.1
581.23712	2.1
599.25214	27.0
600.25317	2.5
613.26721	2.4
631.27710	18.5
632.27850	2.2
785.26874	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	817.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.3
59.01091	1.4
59.01383	27.1
69.09177	5.9
71.01385	32.9
72.99286	1.7
73.02959	4.4
81.93542	0.8
83.01382	3.2
85.02957	35.4
85.03477	1.7
86.00099	2.2
86.00679	0.8
87.00886	6.8
89.02454	10.5
95.01395	13.0
98.02465	2.8
98.22631	1.9
99.00870	1.7
101.02451	4.6
113.02460	51.1
113.17092	1.0
114.02792	1.3
120.76065	0.8
131.03534	11.5
143.03476	0.9
147.05649	1.9
148.65739	1.0
149.04590	1.3
149.07187	2.1
151.08746	2.5
161.04579	0.9
191.05637	8.4
203.91188	0.9
228.07831	3.4
229.08522	2.5
230.09315	1.8
232.10901	2.1
234.12497	3.9
260.10345	1.1
288.13605	1.2
303.14600	1.4
315.14651	7.3
341.12537	6.1
359.13718	1.6
734.22595	1.0
799.28925	2.3
817.29993	100.0
818.30371	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	817.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81607	1.4
59.01386	69.4
68.59990	1.3
71.01388	29.9
71.02487	2.0
71.39288	1.3
73.02954	100.0
73.04076	4.2
79.70011	1.5
81.03457	2.5
83.01395	16.9
83.02511	1.6
83.05046	2.9
84.00915	5.7
85.02947	6.1
95.02531	2.1
97.02955	4.6
99.00911	1.7
99.02016	5.2
101.02446	38.0
111.04512	1.8
113.02438	11.0
113.03603	3.6
113.07224	13.1
119.05029	7.9
123.05656	1.8
125.02454	7.6
125.03564	1.8
133.02989	4.7
135.04526	5.6
135.05508	2.1
143.03514	9.7
146.06161	5.8
152.08311	3.8
153.06708	20.8
155.03523	5.5
155.10788	45.8
161.02458	10.0
161.04579	3.9
162.05608	5.8
165.07809	2.7
165.09210	52.1
166.09627	1.8
169.12323	4.9
170.09370	17.6
179.03474	2.5
179.10822	6.3
186.05650	4.8
186.12512	1.7
197.11844	10.9
199.08662	2.3
203.05640	10.7
203.08301	4.8
207.10260	8.2
209.10406	3.3
210.08897	3.3
222.16078	3.6
226.15642	4.7
227.11513	2.9
235.54881	1.5
242.09250	2.0
265.16690	1.7
276.13501	3.7
283.17838	5.1
299.15143	2.1
339.14523	3.2
357.16010	2.0
362.21945	2.7
380.19186	3.0
423.20508	1.8
451.21957	1.9
527.26233	4.2
787.37897	93.4
788.38275	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	817.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01383	100.0
60.01732	1.6
69.45911	3.6
71.01381	2.4
72.99321	1.8
73.02957	3.2
75.00875	9.3
83.01407	1.4
85.02972	4.3
86.00101	7.9
92.04172	0.9
93.29469	0.8
95.01382	1.1
97.02966	2.1
99.00904	1.0
100.25660	0.9
101.02449	1.8
101.16241	0.8
110.74963	1.0
111.00854	2.0
113.02460	5.6
118.56579	0.9
123.08131	1.2
141.01965	5.0
159.02983	1.8
161.02486	1.4
165.09262	1.4
183.02985	0.9
183.10268	2.5
201.04140	1.3
212.00348	0.9
223.13388	3.7
235.56619	0.8
267.16043	2.9
285.17087	12.9
295.15475	1.4
645.11206	1.1
678.55475	1.0
711.23322	1.0
748.49823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.37690	1.2
61.98880	1.2
71.01389	3.2
74.85820	1.6
80.96503	2.1
96.99311	2.2
98.22277	9.4
100.09402	1.3
101.02453	2.5
111.48111	1.1
114.46642	1.2
119.94747	1.6
141.01715	50.6
141.02829	2.4
147.04504	1.3
233.08238	1.4
264.64017	1.3
277.21826	6.3
337.40121	1.3
359.22009	5.3
397.13538	10.9
415.14453	1.9
419.11713	3.4
437.12637	3.9
817.50043	2.5
847.10620	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	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.35122	1.8
71.01376	2.2
73.70187	1.7
89.14275	1.8
102.51637	2.3
141.01715	54.5
143.03572	2.0
146.71625	1.8
167.06352	2.0
235.08344	1.9
261.72665	2.1
277.21646	5.5
359.22095	2.9
397.13504	11.0
419.12091	3.0
437.12372	4.9
625.04889	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	817.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
67.02997	1.0
67.42653	0.6
68.37906	0.6
70.02977	0.8
71.01392	0.9
71.02505	2.7
73.04058	4.2
74.02469	0.6
83.02502	1.3
84.00915	8.2
85.02950	0.9
85.04113	1.1
93.03466	1.5
95.02509	2.5
97.41749	0.7
99.02011	8.5
102.43723	0.6
110.03640	0.6
110.06152	0.6
111.01988	1.5
112.05205	1.1
113.03576	3.5
113.07225	16.1
114.80379	0.5
118.06615	1.2
119.05041	11.4
125.03540	1.1
125.07234	1.8
127.09093	0.6
128.04684	0.9
128.65814	0.6
129.10321	0.8
130.06223	2.4
131.03688	0.8
133.02971	1.4
135.04584	1.3
135.05615	1.3
137.07181	1.2
137.90244	0.6
139.05150	1.1
142.06691	1.2
146.06136	5.7
151.08728	1.7
152.07191	0.8
152.08292	3.8
153.06709	25.4
155.08229	2.4
158.06149	1.7
161.02455	2.9
162.05608	6.9
163.05064	1.0
163.08791	1.0
164.07202	0.7
166.09853	1.3
169.09796	2.2
170.09363	21.8
171.09723	0.9
173.07301	0.8
174.05609	0.7
179.03400	0.7
179.04770	0.7
179.08231	0.9
181.13524	0.9
185.07245	3.2
186.05583	5.6
186.12529	1.2
189.06638	1.8
199.08763	2.3
203.08289	6.7
208.09618	1.4
209.10439	4.1
209.12967	2.3
210.08850	5.2
212.10315	1.2
220.10933	1.4
222.16104	1.8
226.15619	5.3
227.11507	2.9
231.11473	0.8
242.09355	1.9
243.07726	2.0
246.08955	0.8
259.10971	0.7
260.10443	2.4
265.16702	2.5
266.15051	1.5
276.13574	3.7
283.17627	5.2
284.13669	0.8
291.11353	0.7
292.09869	0.9
299.15149	3.9
317.16208	1.5
337.22504	0.6
339.14645	3.1
340.19980	1.3
356.17209	1.5
357.15463	1.0
362.21921	2.4
363.20428	1.0
374.18411	1.1
380.19229	2.2
380.23160	1.7
385.38174	0.7
421.90170	0.8
423.20172	2.6
446.24423	0.8
494.27304	1.9
510.24667	0.9
527.26465	3.2
555.59320	0.7
577.23920	0.8
600.32166	0.7
629.79425	0.9
633.31085	0.7
634.29901	4.7
681.33826	2.1
690.35895	0.8
700.31580	0.7
714.21002	0.8
787.37891	100.0
788.38245	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	818.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.91589	0.9
61.98827	1.7
65.00336	1.2
70.38959	1.9
71.01379	2.2
77.90881	0.7
107.01395	2.2
107.79477	0.8
108.02175	1.8
108.57879	0.8
121.02932	0.9
133.02989	1.1
134.03738	3.4
148.01694	0.9
151.00406	5.8
161.02409	1.1
178.99867	2.8
179.05675	0.9
184.49207	0.9
193.05066	5.3
194.05418	1.6
226.02693	1.6
227.03534	1.3
243.03009	12.2
254.02307	2.1
255.03018	24.8
256.03564	1.3
271.02512	63.3
272.03058	3.2
280.09406	1.3
295.11807	1.1
295.52383	0.8
299.01901	2.9
300.02774	100.0
301.03336	9.0
310.14059	2.2
328.75116	0.8
489.10406	0.9
755.20459	72.0
756.20392	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	818.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01383	8.0
61.98511	0.8
61.98835	16.3
71.01387	7.8
71.42129	0.7
72.99324	0.6
73.02959	0.8
83.01402	0.6
85.02956	6.4
87.00893	1.2
89.02448	3.3
95.01404	3.2
96.96028	1.7
98.38169	0.6
101.02452	2.0
107.05058	0.8
113.02461	15.1
117.03545	0.6
119.03471	1.2
123.04577	2.0
131.03494	0.9
132.02191	2.6
133.02974	44.4
134.03603	1.0
135.04538	23.8
143.03535	0.7
153.05580	1.7
161.02463	100.0
162.02783	2.9
169.39317	0.7
179.03511	5.4
191.05643	1.3
211.62712	0.6
287.23288	0.6
297.09961	0.8
315.10867	1.7
461.16516	1.5
461.96533	0.7
466.92062	0.6
593.20782	5.0
641.51740	0.7
653.89832	0.6
755.24091	86.7
756.24298	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	818.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81253	1.0
59.01364	4.1
61.98838	15.9
66.03487	2.9
69.40880	1.8
69.41289	2.8
71.01378	3.0
73.04052	1.8
84.00906	1.0
85.02952	4.7
86.78752	1.0
89.02434	1.0
95.01440	0.9
96.96013	9.7
99.02024	0.9
101.02475	1.1
109.02919	1.0
111.05598	1.1
112.04041	2.6
112.07678	1.2
113.02453	3.7
113.07224	26.9
114.05639	2.8
115.08761	1.6
120.41306	0.9
121.02953	1.1
123.04589	1.2
125.07211	2.8
126.05624	1.7
127.08755	2.9
129.10356	9.1
130.09843	0.9
131.03499	1.3
132.02184	1.8
132.50844	0.9
133.02972	12.6
134.03738	2.2
135.04536	13.3
136.05013	1.8
136.11452	1.1
137.07228	2.4
139.08804	3.2
141.06720	3.4
141.10300	2.1
142.16135	1.1
147.80890	0.9
149.06122	1.0
151.07607	1.8
151.08777	15.7
152.07155	1.1
153.06674	7.1
153.10446	1.1
154.06244	2.0
154.09900	1.4
155.08292	9.8
160.01672	2.5
161.01097	1.8
161.02466	31.1
162.02750	2.3
165.10426	1.4
168.11478	7.3
169.09874	2.9
170.09354	5.7
175.04033	3.8
177.10327	1.5
179.03506	15.7
181.09752	1.3
181.13467	1.9
183.08897	1.1
186.12495	3.8
193.05048	3.9
195.11389	2.1
197.81958	0.9
208.09641	4.1
208.14639	2.4
209.12914	3.7
210.12425	3.3
210.16296	0.9
212.10420	1.7
222.16148	3.6
223.15590	1.0
224.17642	4.4
226.15572	9.7
251.15096	3.8
265.16708	51.9
266.17102	2.9
268.16599	1.3
280.18762	1.1
283.17764	19.5
297.19250	1.1
312.52740	1.0
322.22504	1.8
323.20892	8.1
378.24973	1.1
382.25528	2.9
439.27496	1.4
518.31122	1.4
536.31921	5.0
578.33936	1.3
637.21429	2.7
649.41455	7.9
746.45593	6.0
755.24414	2.0
783.26630	1.8
788.47943	100.0
789.48297	14.6
800.48474	5.9
818.49023	4.1
845.91119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08977	4.9
71.01024	1.6
71.01385	18.9
72.99306	1.8
75.65078	0.9
78.47027	0.8
85.02988	1.0
89.02457	1.0
89.03934	1.2
102.13051	0.8
115.00388	38.2
117.03465	2.7
133.01447	91.4
134.03755	85.0
135.04070	1.4
149.06113	5.8
163.03966	1.5
163.06143	3.6
178.02716	1.2
193.05075	100.0
194.05368	3.8
200.76045	1.0
201.94617	0.9
213.93909	1.0
309.06149	12.8
359.21225	1.0
385.96851	1.3
537.03967	0.9
596.63910	1.1
687.81647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
66.03490	1.9
71.01389	2.3
73.04070	7.7
84.04539	1.7
85.02991	1.5
87.05629	1.4
95.02503	4.7
96.00922	30.9
96.96011	5.0
97.00426	1.2
97.04046	1.9
98.02475	2.2
99.02035	8.0
109.04091	7.5
109.04691	1.3
110.02473	2.9
113.02421	3.1
113.03580	2.8
113.07226	19.3
114.05674	1.6
115.08028	1.3
115.08761	9.4
116.05064	4.4
123.93758	1.3
125.07218	6.0
126.05592	1.5
126.06728	2.7
127.05178	6.8
130.06241	4.0
133.03000	6.6
134.03734	1.8
135.04504	5.1
135.05515	1.7
137.07156	1.9
141.06673	4.1
144.07782	4.4
149.07216	2.4
152.08279	3.5
153.06723	7.5
155.08238	2.7
160.01646	3.6
161.02457	10.5
164.68604	1.4
166.06273	1.3
167.08234	6.9
167.11899	2.8
170.09367	58.1
171.09673	1.6
172.10931	5.1
175.04002	3.8
179.03490	4.4
179.11911	8.6
182.12944	2.0
183.11398	2.9
184.10933	2.9
185.07156	3.3
185.58107	1.7
195.11455	4.7
196.14508	2.3
207.08870	2.8
212.14073	15.8
214.15701	2.9
223.12012	5.1
224.10364	1.7
225.13548	2.0
228.07742	1.6
229.13112	1.7
236.14029	1.4
240.13513	2.8
241.13080	6.1
250.19130	2.5
266.18546	2.5
280.14053	2.9
293.19843	25.8
298.15189	5.1
299.15161	10.4
311.20938	21.7
353.78400	1.4
368.22879	4.7
422.24252	1.4
427.21182	2.2
439.26587	2.3
526.27399	2.7
593.34210	4.0
651.32428	1.8
704.38403	2.3
722.39978	100.0
723.40240	14.6
801.40625	14.5
802.40656	1.5
819.41571	46.8
820.41797	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	821.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	0.5
59.01383	7.8
69.03429	0.6
71.01385	7.7
71.40935	0.6
73.02941	1.9
74.99083	1.2
76.68584	0.4
84.36724	0.5
85.02959	9.0
87.00848	0.8
89.02459	3.4
93.00136	1.2
95.01388	3.0
101.02455	2.8
101.03020	0.6
107.84988	0.4
113.02458	18.7
116.92773	0.5
117.03728	2.1
119.03487	0.8
123.04548	5.8
129.01958	1.0
132.02185	9.5
133.02977	3.8
134.03757	12.5
135.04543	15.1
143.03494	0.7
149.06046	1.9
153.05592	7.3
160.01672	52.5
161.02466	12.0
161.04535	1.2
175.04015	57.1
176.04308	2.1
178.02742	1.4
179.03473	2.6
193.05072	12.1
194.05353	0.6
204.78477	0.5
219.07162	0.5
237.07996	1.7
297.09717	1.1
315.10852	2.4
374.84711	0.6
434.90857	0.6
461.16718	7.3
623.19995	0.9
637.21405	100.0
638.21826	7.2
733.23785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.05452	0.6
62.88977	0.6
64.67786	0.7
71.01385	6.4
85.02959	6.3
89.02451	1.8
95.01398	2.3
102.74375	0.7
113.01730	0.9
113.02469	11.6
117.03476	0.6
123.04501	2.2
132.02187	2.1
133.02972	30.4
134.03314	0.8
135.04539	16.2
135.05530	1.3
151.04045	1.3
153.05586	1.0
160.81525	0.7
161.02463	100.0
162.02776	3.1
179.03505	8.2
230.50977	0.7
280.55704	0.7
302.49503	0.8
315.11020	2.0
338.29147	0.7
461.16537	2.6
621.18860	1.2
623.19836	66.7
624.20178	6.0
630.79773	0.7
653.20740	1.5
703.90015	0.7
794.94189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
59.26179	0.7
62.16499	0.7
69.02133	6.0
69.03464	8.2
71.01387	82.6
71.05022	1.9
85.02951	1.2
88.57526	0.8
96.96031	0.8
98.87086	0.7
108.02173	1.1
111.08125	2.1
113.06087	1.1
115.00378	28.7
118.19208	0.8
121.02976	4.9
133.02969	16.8
134.03740	2.6
135.04538	25.1
137.02438	0.9
139.11304	15.3
149.06148	1.1
152.01187	1.5
153.05611	2.5
161.02460	56.8
168.84561	0.7
179.03502	32.8
181.01431	1.0
182.02097	1.0
183.10271	100.0
184.10622	2.1
193.05118	1.0
197.04564	8.5
211.06178	0.9
239.05655	1.4
281.06717	1.5
297.30933	0.7
299.11374	25.4
323.07675	4.6
326.06381	1.3
341.08450	1.0
359.09964	2.4
521.13043	45.7
522.13458	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
58.00591	0.2
58.82586	0.2
59.01385	8.0
63.91756	0.1
69.69288	0.6
71.01387	6.5
72.99303	0.3
73.02952	0.8
77.03983	0.2
83.01385	0.4
85.02956	5.3
85.03482	0.3
86.00085	0.2
87.00887	1.7
89.02457	3.7
89.03977	0.4
95.01399	1.8
95.05059	0.3
99.00935	0.2
101.02453	1.8
102.17875	0.2
105.03478	0.8
107.05054	0.3
109.02934	0.3
113.02457	8.0
115.01919	0.4
117.03468	1.5
119.03543	0.4
123.04536	0.7
125.02433	0.1
127.04040	0.5
131.03514	2.4
132.02185	3.1
133.02971	44.6
134.03691	1.7
135.04539	11.4
136.04878	0.4
137.02435	0.3
149.04610	0.5
149.06049	0.2
160.01697	0.7
161.02458	100.0
162.02797	2.4
175.04034	0.6
178.02693	0.3
178.52795	0.2
179.03516	5.3
189.10303	0.3
191.05603	0.9
191.45290	0.1
216.29785	0.2
227.76022	0.2
229.11230	0.2
334.72000	0.2
534.67767	0.2
659.26636	0.7
689.25763	0.7
691.26282	0.3
747.59424	0.2
821.29913	42.0
822.30310	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	821.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
61.98837	1.8
64.65226	1.0
69.57447	2.3
69.57828	2.2
71.01376	3.3
73.02950	9.6
78.19730	1.0
85.02941	3.4
96.96037	2.9
104.51026	0.9
108.02185	2.0
109.02934	1.9
113.02399	1.0
122.06118	2.8
123.97523	1.0
133.02980	3.3
134.03752	1.2
134.83835	1.0
134.94539	0.9
135.04541	1.6
137.47920	0.9
144.04539	7.2
144.63680	0.9
147.74879	1.1
152.01208	2.6
153.01979	1.7
160.01794	1.1
161.02434	5.1
162.02855	1.1
162.05635	3.1
175.04123	1.2
179.03444	1.2
188.03613	2.2
191.02043	1.5
198.09315	5.9
203.05901	14.1
204.06544	1.9
225.06671	2.0
226.07582	5.1
229.09824	5.7
240.10428	2.0
241.09848	58.1
242.10379	1.9
283.10901	5.7
315.13538	100.0
316.13882	4.9
325.11981	37.7
326.91110	1.0
505.18365	16.6
506.18875	2.4
609.23566	1.8
641.26331	2.1
671.09430	1.1
821.31738	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	821.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.7
61.98845	45.7
71.01395	22.1
88.68002	6.2
89.02482	6.7
98.22641	24.4
101.02459	11.8
113.02470	7.6
161.02455	19.0
179.03600	11.8
182.56978	6.3
205.80540	6.8
387.25510	9.8
405.26434	12.9
672.85217	8.3
785.39709	100.0
786.40253	10.8
799.35791	10.0
820.85052	12.8
821.37555	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	1.6
59.01386	15.6
61.98825	3.0
68.99797	1.2
69.03467	1.2
69.98287	2.9
71.01386	11.3
73.02927	1.8
78.00687	1.1
83.01358	1.4
85.02952	2.4
87.00895	1.8
89.02457	9.7
97.02971	2.7
98.21976	1.4
101.02456	8.9
108.23103	1.2
113.02460	4.8
119.03508	2.6
125.02464	4.8
161.04584	2.8
165.90517	1.1
179.03621	1.3
179.05646	1.8
183.13902	6.6
193.12314	2.0
209.11879	3.2
211.13416	100.0
212.13779	4.3
221.06561	1.3
225.90662	1.2
235.08257	3.7
253.09245	1.3
299.48538	1.2
397.13516	42.1
398.13840	2.5
405.26486	2.4
415.14490	15.0
487.13840	1.1
609.27643	19.0
610.27942	1.6
803.40466	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	821.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.0
61.98829	1.7
69.26482	4.5
71.01019	1.5
71.01387	13.0
73.02953	1.9
83.01407	1.4
85.02954	3.3
87.00886	2.5
89.02460	9.6
96.96007	1.1
97.02967	1.9
99.00832	0.9
101.02441	8.9
105.44753	0.8
113.02465	4.6
119.03522	3.1
125.02448	2.4
143.03540	0.8
146.01526	0.9
161.04652	1.7
165.12817	1.1
179.05656	1.0
183.13913	7.0
193.12254	2.2
209.11906	1.1
211.13419	100.0
212.13721	3.8
221.06577	0.9
221.80421	0.9
235.08170	4.3
253.09293	1.0
287.07898	1.0
344.68869	0.9
397.13525	42.3
398.13708	1.3
405.26089	1.1
415.14609	17.6
416.06317	1.0
472.89737	0.9
609.27698	19.9
610.27759	1.1
803.40869	6.2
821.41522	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.5
61.98837	38.5
64.84947	1.0
69.03460	1.2
71.01384	6.6
75.73454	1.1
80.91684	4.7
80.96523	1.3
85.02946	1.7
87.00859	1.1
89.02452	5.2
89.25012	1.2
96.96000	1.6
97.02953	3.2
97.06578	1.3
98.21916	3.5
101.02431	5.6
108.25401	1.0
111.08180	6.2
113.02453	3.0
119.03520	2.2
125.09748	1.4
154.96658	1.1
161.04581	2.5
165.12872	2.2
169.12358	1.6
171.10255	5.8
179.14331	1.3
181.12341	1.2
183.13985	1.0
195.13855	9.6
196.14757	2.3
197.11848	31.0
199.13440	1.5
211.13393	6.6
223.13399	6.4
227.12808	2.5
228.99448	1.2
235.08247	2.4
237.10168	1.1
247.20662	1.2
251.16498	1.8
253.06654	1.3
253.09293	26.8
256.13211	1.2
263.20184	1.8
273.18613	1.9
273.59805	1.2
275.20169	12.6
277.21744	2.0
291.19678	24.8
293.21240	100.0
294.21564	3.3
309.20743	64.2
310.21396	1.8
329.12283	1.2
334.84750	1.0
351.06830	1.1
491.90359	1.1
545.29431	1.6
585.41492	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	823.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	50.8
71.01386	33.4
73.02946	6.6
85.02959	5.7
87.00896	12.4
87.01339	2.4
89.02455	45.6
92.17178	2.1
101.02458	30.1
106.20643	2.2
113.02489	17.4
116.10962	2.2
119.03526	8.1
125.02446	4.3
125.40124	2.3
126.60777	2.2
143.03510	8.6
161.04527	4.3
179.05612	16.7
203.41296	2.0
221.06659	11.7
259.02036	2.6
341.10931	6.2
383.11948	37.1
421.07480	3.0
443.13922	5.2
485.15140	6.5
603.82410	3.0
665.21564	100.0
666.21783	7.1
703.05536	2.6
703.16357	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	823.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.1
61.78278	0.4
62.10591	0.5
68.47593	0.5
71.01382	6.2
71.40476	0.7
72.99316	1.1
73.02961	1.4
75.00883	3.2
83.01383	3.8
84.02168	1.8
85.02957	100.0
86.03314	0.8
87.00880	0.9
87.58015	0.4
89.02441	1.6
96.96055	0.9
99.00876	0.7
101.02440	1.6
103.00393	1.4
110.06133	1.0
111.00893	6.6
112.04347	0.5
112.31400	0.5
112.32182	0.5
115.00384	1.3
120.08183	1.7
122.06135	3.2
124.06703	0.5
125.56968	0.5
129.01956	12.4
133.01408	0.9
133.02966	0.5
138.73065	0.5
147.03021	12.7
152.07240	0.5
161.02444	1.2
173.00931	3.0
179.03470	1.1
191.01990	65.6
191.56172	0.5
192.02441	0.7
209.03038	9.4
233.94148	0.5
241.13472	0.5
251.11885	2.4
253.09669	0.6
265.13315	0.7
276.09329	0.6
277.09802	1.4
278.10684	0.8
283.10947	0.6
287.14078	0.5
291.11435	1.3
292.08728	0.5
292.12177	1.6
293.09869	0.5
293.13016	2.6
336.11096	0.9
337.11929	0.5
362.10498	0.6
372.17102	1.2
385.07910	0.5
390.17899	0.5
415.19037	1.0
418.17712	0.6
432.19501	1.1
450.20584	1.4
477.19159	1.0
499.29001	1.4
508.21042	1.0
537.25482	0.5
555.26288	3.1
573.27496	3.2
581.24213	1.0
599.25220	7.9
600.25598	0.7
613.26611	0.7
631.27844	5.4
661.34100	0.7
703.30347	0.6
711.72247	0.5
791.28131	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	823.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.1
61.78278	0.4
62.10591	0.5
68.47593	0.5
71.01382	6.2
71.40476	0.7
72.99316	1.1
73.02961	1.4
75.00883	3.2
83.01383	3.8
84.02168	1.8
85.02957	100.0
86.03314	0.8
87.00880	0.9
87.58015	0.4
89.02441	1.6
96.96055	0.9
99.00876	0.7
101.02440	1.6
103.00393	1.4
110.06133	1.0
111.00893	6.6
112.04347	0.5
112.31400	0.5
112.32182	0.5
115.00384	1.3
120.08183	1.7
122.06135	3.2
124.06703	0.5
125.56968	0.5
129.01956	12.4
133.01408	0.9
133.02966	0.5
138.73065	0.5
147.03021	12.7
152.07240	0.5
161.02444	1.2
173.00931	3.0
179.03470	1.1
191.01990	65.6
191.56172	0.5
192.02441	0.7
209.03038	9.4
233.94148	0.5
241.13472	0.5
251.11885	2.4
253.09669	0.6
265.13315	0.7
276.09329	0.6
277.09802	1.4
278.10684	0.8
283.10947	0.6
287.14078	0.5
291.11435	1.3
292.08728	0.5
292.12177	1.6
293.09869	0.5
293.13016	2.6
336.11096	0.9
337.11929	0.5
362.10498	0.6
372.17102	1.2
385.07910	0.5
390.17899	0.5
415.19037	1.0
418.17712	0.6
432.19501	1.1
450.20584	1.4
477.19159	1.0
499.29001	1.4
508.21042	1.0
537.25482	0.5
555.26288	3.1
573.27496	3.2
581.24213	1.0
599.25220	7.9
600.25598	0.7
613.26611	0.7
631.27844	5.4
661.34100	0.7
703.30347	0.6
711.72247	0.5
791.28131	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	823.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36217	4.6
59.01384	69.9
61.98836	96.0
69.06861	15.4
69.07263	10.9
70.44890	4.2
71.01384	26.3
73.02951	12.2
75.74139	5.0
83.01377	7.2
85.02958	18.9
85.90882	4.0
87.00900	7.5
89.02470	6.8
95.01364	6.1
99.00897	5.5
101.02461	24.1
113.02462	20.0
119.79080	4.8
133.02975	30.0
135.04523	15.9
161.02464	53.5
161.04549	8.5
174.99390	4.4
175.04057	6.5
179.03494	16.3
204.45987	4.5
225.90973	4.5
235.40530	4.6
265.00485	5.0
693.34161	6.5
717.33337	5.1
735.34393	100.0
736.35004	8.8
757.75482	5.8
793.42505	10.5
837.95258	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	823.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.8
71.01394	11.3
73.02951	4.2
75.50434	2.1
81.03461	13.4
83.05030	28.5
85.02950	6.7
87.03113	2.7
96.96018	2.3
100.07679	3.6
101.02406	4.1
110.06112	6.7
112.10786	2.2
113.02431	4.9
121.05389	3.7
122.06144	24.9
133.02953	3.4
134.06105	8.0
144.04561	3.0
153.05536	2.7
161.02457	6.2
161.04794	2.4
165.09364	2.4
174.05624	3.9
179.03488	6.6
180.06699	2.5
186.05579	2.2
197.04616	2.5
199.18095	5.5
203.05899	2.5
207.41632	2.5
213.10361	14.7
215.11906	4.2
223.08722	2.4
225.16049	4.8
239.11926	10.5
241.13463	8.7
243.17191	12.6
249.10214	2.4
251.11865	5.3
264.09073	3.0
265.09756	4.1
267.11359	7.5
277.10001	3.9
278.10513	2.7
279.11362	12.0
283.10703	2.7
285.12482	41.4
291.08160	5.6
291.11459	9.5
292.08514	6.0
293.09372	5.4
293.12915	4.4
296.04492	2.5
306.10010	2.9
307.10944	21.1
308.11572	6.2
327.13492	2.5
329.15393	4.2
333.08685	6.4
333.12537	2.8
344.17917	2.7
350.09088	11.2
351.09821	22.3
352.10217	3.9
353.20630	3.1
356.14069	4.3
370.15659	9.5
371.16013	3.0
372.17081	4.1
396.13638	3.2
397.14148	3.1
398.15207	11.5
412.16602	11.2
413.17285	4.1
416.15903	3.7
444.19357	3.1
469.34006	11.0
474.16724	3.5
492.17865	3.6
502.96091	2.4
506.19232	9.2
511.23154	3.5
520.20593	4.8
535.23926	5.2
538.22021	30.3
553.24707	16.2
557.24323	2.7
579.22357	14.3
597.23499	38.2
598.23187	2.5
601.24634	5.1
611.25250	19.5
629.26202	100.0
630.26447	10.1
631.27380	3.5
643.27777	4.6
661.28363	67.1
662.29303	4.9
671.27209	10.8
823.39868	4.1
823.55475	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01280	0.8
63.80780	0.9
66.03500	1.1
69.68639	0.9
70.17372	1.9
73.04082	2.0
80.05092	1.2
84.00921	1.0
87.05662	2.7
94.06622	1.3
98.02494	1.3
99.02002	1.4
111.02012	1.1
112.04118	1.3
113.03572	1.7
113.07222	17.6
114.05624	4.7
115.08795	8.4
119.05043	27.9
123.09325	1.4
124.04018	1.5
125.03528	1.0
125.07190	3.6
129.10263	1.0
137.07224	7.8
139.05133	2.6
139.08769	1.9
140.07169	1.9
141.06705	4.7
141.10286	1.1
149.07292	1.7
151.08757	1.5
152.05934	1.6
152.07169	1.3
153.06703	5.2
154.09860	6.3
155.08333	5.0
161.02383	1.6
165.06703	1.7
167.04637	2.0
167.08281	8.0
169.09807	2.1
170.09377	11.0
172.10909	2.7
184.10950	4.4
201.04456	1.2
208.09613	1.3
208.14438	1.1
209.12979	12.4
212.14073	1.3
220.14542	2.2
224.17642	2.0
251.15167	25.1
252.15547	1.1
258.11389	2.1
269.16177	7.2
275.14148	1.2
281.16174	1.2
281.32336	0.9
447.73276	1.0
470.27710	1.0
491.28491	1.0
625.33911	2.1
642.35773	2.1
642.79144	1.0
687.38513	1.6
732.88562	1.1
793.42621	100.0
794.43152	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	823.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03510	4.4
70.71660	1.3
71.02506	1.9
73.04086	5.5
73.88052	0.8
79.80373	0.8
80.05074	2.4
84.00926	1.6
95.02531	1.1
99.02020	5.7
111.01986	2.4
113.03584	1.9
113.07227	29.6
114.05643	3.0
115.08785	1.8
115.59545	0.9
116.05087	2.2
117.03834	0.8
118.06619	1.0
123.05722	1.1
125.07228	2.2
126.05628	3.9
129.10341	2.0
137.07187	1.6
139.08780	3.8
140.07166	6.2
141.10353	2.2
146.06139	13.7
148.76274	0.8
151.08755	2.0
152.07172	2.6
152.08328	4.1
153.06744	6.1
155.08232	0.9
155.71584	0.9
163.08759	1.5
164.27596	0.8
167.08273	2.8
169.09898	1.1
170.09364	57.8
172.11035	1.3
177.10419	1.0
181.17035	0.9
184.10947	7.5
185.07172	8.2
185.08521	1.0
186.05603	0.9
187.08801	0.9
191.11928	1.3
195.11449	3.3
208.09618	3.2
208.13313	1.3
209.13028	1.6
222.16165	5.8
225.16127	2.7
238.15640	2.4
241.13020	1.3
242.11792	1.0
256.14441	1.1
259.14606	2.9
265.16733	7.0
269.16180	1.8
283.17828	3.2
299.15137	17.7
311.21381	4.7
317.16205	9.9
340.19833	1.0
355.20444	1.2
358.84317	0.9
383.40405	1.0
419.15472	0.9
437.24820	1.4
451.26843	0.9
469.28049	1.0
486.31082	1.0
528.40369	1.0
584.32166	10.9
584.41034	1.6
640.38403	9.4
793.46198	100.0
794.46539	14.1
805.46338	2.4
823.47803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
71.01383	7.4
72.99258	1.0
73.02979	1.8
79.59224	1.0
81.03468	18.9
83.05034	45.2
85.02943	6.1
89.02444	2.8
90.85901	1.2
95.01391	2.1
96.96014	2.3
100.07724	5.2
101.02432	1.8
105.03396	1.2
109.90508	1.0
113.02459	7.9
126.05587	1.5
131.03514	1.7
132.02190	8.3
132.67021	1.1
133.02962	20.9
134.03804	8.4
135.04556	17.2
160.01682	13.8
161.02461	45.6
162.02782	3.7
175.04005	15.5
176.04326	2.7
179.02049	1.9
179.03513	22.0
193.05040	7.6
199.18147	10.3
204.01291	1.5
215.93880	1.1
224.17744	1.3
225.16083	6.9
241.29607	1.3
243.17165	16.7
269.14886	1.4
282.26068	1.1
317.97693	1.1
335.51859	1.1
353.20844	4.8
377.20490	1.1
420.59641	1.4
451.33002	2.6
469.33990	14.2
579.37494	2.7
640.62946	1.1
675.31421	1.7
695.50842	3.5
734.75012	1.4
735.24713	2.4
735.74994	1.6
785.27802	2.2
805.54614	1.5
822.78107	4.3
823.28296	11.8
823.55560	100.0
823.78833	4.8
824.24207	1.5
824.56232	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	824.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.7
65.94616	0.4
71.01391	6.9
73.02947	1.2
83.01393	0.8
83.05019	0.7
85.02952	6.1
87.00893	1.6
89.02443	2.7
89.03999	0.5
95.01417	2.0
101.02465	1.4
105.03466	1.1
113.02467	10.1
115.01876	0.5
117.03493	2.0
118.79842	0.4
123.04478	0.5
127.04150	0.5
127.05134	0.5
131.03532	2.7
132.02200	3.5
133.02969	48.5
134.03848	3.1
135.04546	16.1
136.04872	0.6
137.02505	0.5
143.03552	0.7
145.06165	2.8
160.01701	1.9
161.02458	100.0
162.02769	3.8
175.04071	1.6
179.03513	11.6
180.03938	0.6
191.05733	0.9
193.05043	2.0
204.01285	0.8
547.97083	0.5
623.19586	2.3
640.90448	0.6
678.80707	0.5
728.39307	0.5
802.28076	0.7
823.57538	0.6
824.26257	33.7
825.26465	3.6
845.79199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.5
71.01382	18.6
72.99313	1.8
78.95916	8.0
81.57388	1.2
83.05037	4.7
85.02965	8.5
89.02462	6.0
90.97124	1.1
95.05042	1.3
96.96020	47.7
96.96942	13.5
97.02938	7.9
99.00890	75.2
101.02451	4.0
107.40203	1.1
113.02439	5.2
117.91864	1.2
118.96625	6.8
119.03526	1.9
121.03022	1.3
123.04506	1.5
125.02447	4.6
128.98674	1.4
137.06128	1.1
139.04027	5.8
141.56975	1.3
146.96106	1.9
156.98207	2.1
157.05064	7.2
158.99715	2.8
160.97681	4.3
165.05566	4.7
168.98209	2.5
179.05582	1.4
182.99750	1.8
183.06631	6.2
184.97667	3.9
196.97717	4.7
197.01314	1.5
198.99260	2.1
199.02893	3.4
201.00858	1.9
201.07704	6.0
210.70412	1.1
210.99300	3.2
213.00822	4.7
214.98909	3.1
219.48392	1.6
225.00897	5.9
227.02396	2.0
229.00188	1.9
237.00854	3.5
238.98764	1.5
239.02460	1.8
241.00308	1.3
244.99799	1.2
250.98581	1.5
254.97737	1.3
255.01848	18.4
256.02054	1.5
256.99777	1.8
259.01535	2.4
272.99350	1.7
281.03482	12.6
285.03024	2.7
299.01004	5.9
357.05121	1.4
358.81320	1.3
363.12994	28.3
364.13177	1.7
398.05750	1.2
401.08191	26.8
402.08420	2.4
461.09842	100.0
462.10153	7.3
765.21283	9.2
769.97772	1.6
811.54059	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	825.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
67.46379	0.7
69.03453	0.7
69.06960	4.7
71.01385	5.0
73.02947	1.6
75.43414	0.6
77.04047	0.6
85.02969	3.7
87.00850	0.9
89.02462	2.8
91.57803	0.7
92.71069	0.8
98.21904	1.5
101.02440	1.8
105.03442	1.0
113.02446	4.1
117.03502	1.4
119.03541	1.2
119.05032	2.4
124.23400	0.7
125.02425	0.8
131.03465	2.2
132.02202	2.6
133.02972	40.4
134.03668	1.4
135.04547	10.6
161.02458	100.0
162.02823	2.6
179.03534	4.6
191.05574	0.9
220.86365	0.7
258.95273	0.7
368.42987	0.7
619.22314	2.2
739.24091	1.3
781.25684	37.0
782.25879	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	825.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.7
61.98829	1.3
68.87260	1.2
69.03449	2.5
70.51528	1.4
71.01385	11.4
72.99324	2.4
73.02946	2.9
83.01360	2.3
85.02950	5.3
87.00857	1.9
89.02436	4.9
89.03991	1.7
91.80446	1.3
92.62128	1.2
95.01387	1.4
97.02996	1.3
101.02439	4.6
107.57435	1.2
110.19186	1.2
113.02461	11.4
116.93984	1.2
117.03459	3.7
119.05039	2.7
125.02483	1.9
131.03482	3.4
132.01222	2.2
132.02184	29.3
133.02971	6.7
134.03764	51.9
135.04521	2.9
149.04529	1.2
149.06044	5.0
152.04836	2.4
160.01678	94.3
161.02501	9.0
167.07147	1.9
175.04018	100.0
176.04333	2.6
177.34447	1.2
178.02765	2.7
179.03499	4.1
191.05618	1.6
193.05067	38.7
203.05653	2.5
362.12759	1.2
428.55551	1.4
517.19043	1.7
596.18585	1.2
631.22186	4.2
649.23523	12.2
693.24481	1.6
712.17365	1.3
794.43115	3.5
795.42896	3.5
825.28302	48.5
826.29340	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	825.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
60.49636	0.4
63.74728	0.4
66.95929	3.1
72.17983	0.4
73.23673	0.4
80.91683	1.4
82.95425	100.0
83.33514	0.4
109.34523	0.4
112.17991	0.4
133.02997	0.6
161.02441	1.0
184.27841	0.4
213.87437	0.4
539.79993	0.5
697.36896	0.8
766.70428	0.5
794.47968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.2
61.98832	2.0
67.03031	7.0
70.02992	1.7
70.17370	2.2
70.17728	2.8
71.01369	4.3
73.02950	2.5
73.04077	2.8
85.02962	10.7
87.05648	5.5
89.02455	2.6
93.04591	10.2
97.04043	1.5
98.02495	2.0
99.02027	2.8
101.02453	2.3
108.05687	4.8
109.02977	1.9
109.04083	7.4
111.01999	1.8
113.02438	3.4
113.03575	29.1
113.07234	15.1
113.16952	1.4
121.02915	2.1
122.06218	1.3
125.03610	2.4
126.06702	2.4
127.05186	1.6
129.01923	2.0
132.05684	12.4
133.01387	2.3
133.02982	3.4
134.03661	7.7
135.04514	3.9
136.05145	3.3
137.02463	1.8
139.08836	1.7
140.07170	3.4
144.07814	2.6
145.02954	3.7
146.03758	2.0
149.07173	2.1
149.08339	1.8
152.07256	1.4
153.06732	5.9
161.02496	10.3
166.09850	4.0
167.08331	5.6
170.09386	1.6
173.02519	1.8
175.06296	2.4
176.04694	3.4
179.03506	2.2
184.10925	70.5
185.11273	1.4
189.07944	2.1
190.09943	1.7
191.01982	4.1
193.04985	2.1
193.05432	2.4
193.07336	23.6
197.04575	3.2
205.05051	10.9
209.12650	1.5
223.12050	6.2
229.87666	1.4
233.10426	1.7
241.13170	7.5
242.11899	8.8
259.14563	4.2
276.17529	1.5
312.16599	1.6
327.08734	3.7
371.07755	5.2
546.27936	4.9
595.32788	12.2
596.32813	1.6
601.23871	1.6
612.35620	3.9
677.24799	4.4
709.26917	2.9
789.40588	100.0
790.41199	16.3
812.31183	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	825.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62923	27.8
65.81965	24.3
66.85377	25.5
67.42336	21.3
69.54819	100.0
76.22733	23.1
98.22574	54.0
142.05220	23.6
145.24565	23.1
157.61528	26.6
172.99921	30.0
409.25220	28.1
494.13544	22.9
596.62799	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	827.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
66.37363	0.2
71.01376	0.5
85.02932	0.3
89.02453	0.3
90.52380	0.2
91.10143	0.2
93.03474	0.2
95.05033	0.4
101.02435	0.2
108.02174	0.7
113.02466	0.4
122.03748	31.3
123.04493	1.1
133.02956	1.1
134.03757	2.0
135.04526	1.2
137.06084	0.4
145.14888	0.2
150.03229	3.7
160.01660	0.4
161.02472	2.3
164.04805	2.8
165.05579	100.0
166.05925	2.6
175.04051	0.2
179.03554	1.4
193.05080	3.2
207.06589	0.4
270.79498	0.2
309.09671	0.7
341.87183	0.2
369.11877	2.6
491.73495	0.2
750.19714	0.2
827.26843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.3
71.01386	6.9
71.38877	0.8
73.02954	2.0
85.02973	1.7
87.00882	2.2
89.02463	4.7
95.35664	0.6
97.02935	0.8
101.02452	6.0
109.02938	0.6
113.02461	4.0
117.03493	1.3
119.03487	1.2
125.02451	1.8
132.02184	1.8
133.02965	30.4
134.03722	2.1
135.04538	24.3
143.03503	0.6
145.01385	0.8
149.06067	0.8
161.02461	100.0
162.02832	2.1
175.03998	0.7
177.05562	3.5
179.03525	21.1
179.05240	1.1
185.04646	0.6
197.04645	0.6
203.03508	1.5
221.04578	6.7
221.06735	1.5
251.05621	8.2
281.06665	8.7
305.36911	0.5
323.07590	0.7
341.08728	4.0
383.09698	18.6
392.00177	0.6
413.10672	2.9
443.11835	4.2
503.14078	3.6
545.15155	8.7
546.15503	0.7
575.15350	0.7
605.17175	2.8
665.19446	1.8
827.24640	44.8
828.24536	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	827.2692
Annotation	Verbascose
Peak:m/z	Relative Intensity
58.82858	1.6
59.01384	100.0
62.63346	1.8
69.03461	2.3
70.19146	4.0
71.01389	67.3
72.99300	2.7
73.02948	14.8
83.01392	5.1
84.65636	1.9
85.02956	23.7
85.99570	1.9
87.00903	24.5
87.04499	2.1
89.02454	75.3
95.01395	6.4
96.96027	4.2
97.02952	4.8
101.02450	53.7
113.02467	38.8
119.03502	15.0
125.02444	12.0
131.03496	5.8
143.03487	12.1
149.04546	2.8
154.58911	2.4
161.04597	15.1
179.05626	44.2
182.36925	1.9
190.59131	1.9
203.05560	5.0
221.06711	28.6
235.08302	2.2
278.73166	2.1
322.96625	2.3
323.09964	2.4
341.10901	18.9
365.10822	8.1
372.78668	2.0
383.11987	46.1
413.13116	2.5
443.14044	12.2
485.15295	6.1
503.16449	10.9
545.17242	44.5
546.17352	2.2
586.30005	2.0
647.20422	5.0
783.85828	2.3
827.26923	64.0
828.27191	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	827.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97918	4.4
113.07221	7.0
119.05034	11.8
129.10373	11.4
137.07275	7.9
141.06746	10.7
155.08324	9.2
157.72928	4.5
172.10886	5.8
207.15050	8.6
210.08803	9.9
214.17513	4.4
225.16151	5.6
322.84128	5.4
377.43018	4.8
451.58600	5.4
474.57764	5.1
605.97168	5.3
667.97339	6.1
797.45685	100.0
798.45618	14.9
859.75824	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	828.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84950	3.4
59.01384	30.1
61.98835	10.1
65.49735	3.5
69.03455	3.6
69.82182	3.5
71.01389	19.5
71.39301	5.1
73.65626	3.9
76.02782	3.6
85.02959	4.3
87.00895	3.7
89.02462	15.7
91.35893	3.3
101.02456	8.7
113.02465	7.3
125.02443	3.6
173.25117	3.4
190.87573	4.2
226.32811	3.6
246.00444	4.2
260.22321	4.1
325.25571	7.4
341.24850	4.5
343.26492	5.0
369.24429	6.2
387.25259	10.7
405.26682	25.5
473.41843	4.4
668.83386	4.1
785.39734	100.0
786.40143	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	828.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04117	1.8
61.00087	1.3
66.03486	2.5
70.75285	1.5
73.04070	2.8
82.06624	3.2
83.02502	1.3
83.30309	1.2
84.00909	3.6
84.08149	1.2
98.06126	1.5
98.20789	1.1
99.02061	1.4
113.07226	28.6
114.05642	4.1
115.08822	1.8
118.33077	1.5
123.05621	1.6
129.10344	4.1
130.09854	2.1
136.05177	5.2
136.11328	3.8
139.08740	3.4
139.31209	1.4
140.07179	2.7
141.06711	8.7
149.10847	2.4
151.08765	6.6
152.08275	3.1
153.06689	10.5
154.09886	1.9
156.07750	1.5
158.08163	1.5
163.08818	1.7
165.13976	2.7
166.12411	2.2
167.11882	5.0
169.09854	3.4
170.09337	3.7
181.13490	4.0
182.12970	1.9
186.12497	9.3
191.11972	2.0
192.11478	1.4
192.52164	1.4
193.09816	1.6
193.13499	2.8
194.10458	1.6
194.13022	4.2
195.11415	4.5
209.12885	9.5
210.12473	8.6
210.16193	1.6
211.14516	2.1
212.14053	45.5
226.15646	4.1
227.15120	14.8
266.15805	1.4
267.18259	2.7
269.17416	4.2
276.80798	1.5
279.21674	2.1
280.20367	2.0
285.19302	1.7
300.51401	1.2
307.21545	3.5
308.54727	1.3
311.17288	1.7
325.22327	2.9
339.23965	1.7
376.27316	3.8
382.24634	12.0
422.27692	2.7
462.28159	2.1
514.30670	1.4
519.30499	1.4
576.35223	3.9
635.39966	3.1
675.43604	2.8
769.46576	2.4
772.61554	1.5
786.48737	11.1
787.49963	1.7
806.40515	1.5
828.51105	100.0
829.51288	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	829.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	96.5
69.98078	2.6
96.96014	7.9
141.90623	2.6
143.46571	3.2
150.39194	2.8
157.03528	7.1
159.01508	15.4
178.95067	4.2
201.02563	100.0
202.02682	18.5
203.02275	12.9
269.46863	2.9
278.39737	3.1
301.02737	4.8
303.02313	5.1
343.03705	51.5
344.04007	16.7
345.03552	19.8
358.87561	3.2
393.16776	3.4
440.86755	3.4
473.67886	2.8
482.87830	8.2
483.87668	6.9
484.87604	5.6
624.88983	10.1
625.88660	8.2
626.89233	23.2
627.89008	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	829.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
69.42277	10.9
71.01389	8.4
71.74464	2.2
72.79952	2.1
73.02946	9.1
83.01345	2.8
85.02963	23.1
89.02444	4.5
96.96020	4.9
101.02424	3.1
106.87722	2.4
113.02438	4.1
119.05072	3.0
129.01981	4.5
133.02985	3.0
134.03677	3.3
134.36354	2.5
135.04482	4.7
147.04524	11.3
148.05318	6.4
151.03987	5.5
152.01129	2.6
160.01704	4.0
161.02473	8.6
162.06873	3.5
173.00964	4.6
176.04967	2.7
179.03458	4.5
191.03499	12.1
191.07115	5.5
193.05066	6.7
201.99802	2.4
206.05873	4.1
237.05550	4.8
238.06543	4.2
250.06448	4.0
253.05040	2.9
253.08701	3.7
254.05792	5.8
265.05060	3.9
266.05881	2.9
267.03000	10.2
267.06750	3.0
279.06662	6.9
281.04642	3.9
281.08313	2.8
282.05365	10.9
293.08295	4.4
294.05402	4.5
294.08911	2.3
295.06256	2.9
296.06808	5.1
297.04617	3.7
297.07666	22.7
308.07031	4.4
309.04404	3.4
309.07672	13.5
311.09354	5.6
312.10068	15.2
322.04849	6.3
323.05457	2.7
324.06378	15.0
324.09933	4.0
325.06998	3.0
327.12341	11.7
336.06390	2.7
337.07162	21.2
338.08047	6.9
339.08713	13.4
339.12399	9.8
340.05847	4.0
341.06787	4.1
351.08771	7.2
352.09476	5.8
353.06647	25.9
353.10385	4.0
355.08212	11.9
356.09000	12.8
367.08096	5.4
368.09189	21.7
370.10468	8.8
371.11395	24.1
383.11411	27.5
385.12808	5.9
397.13080	8.5
401.12210	2.8
535.70221	2.9
725.23712	2.9
743.25421	8.4
767.25403	5.5
785.26624	100.0
786.27429	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	829.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98834	6.4
66.47029	0.4
70.15268	0.3
71.01390	4.2
71.53922	0.3
72.99316	1.2
73.02956	1.6
76.94691	0.4
83.01411	0.4
85.02956	3.2
87.00882	1.5
88.98820	0.9
89.02460	4.9
89.03989	0.6
93.03466	0.8
95.01417	0.5
99.00933	0.5
101.02425	2.1
106.04226	0.4
109.02925	0.7
113.02455	4.0
117.03477	3.8
119.03525	0.4
121.02994	1.2
122.03751	0.8
123.04551	0.8
125.02437	0.5
131.03522	3.6
132.02156	1.0
133.03006	2.2
134.03751	56.6
135.04578	2.6
137.02480	1.2
139.04024	3.2
143.03502	1.9
148.01668	1.9
149.02528	2.8
149.04565	7.6
149.06087	7.2
160.01672	5.9
161.01041	0.8
161.02455	4.8
165.01956	1.5
175.04010	5.0
178.02733	9.7
179.03432	2.1
180.04308	2.1
181.05029	1.1
187.03891	0.4
191.05595	3.7
193.05067	100.0
194.05367	3.1
233.06699	5.2
245.04384	0.5
247.06068	0.6
259.06042	1.5
265.07190	1.4
275.05725	0.8
277.09354	2.6
288.68433	0.4
295.10443	0.5
319.08109	0.7
337.09280	2.7
451.16315	0.4
459.22662	0.4
489.16153	2.5
547.38708	0.4
548.26624	0.5
576.38568	0.5
615.19122	1.3
633.20428	0.7
637.21368	0.9
797.25391	1.8
829.27698	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	829.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03011	3.1
78.66161	0.6
81.04562	1.0
84.00916	2.3
93.04592	12.2
98.21819	1.8
99.02010	1.0
107.04890	0.8
108.05688	4.0
110.02449	0.7
113.07227	4.0
115.08786	1.6
118.04093	0.9
127.05146	1.5
129.10368	7.0
131.04912	1.4
136.05170	1.7
139.08784	2.5
140.07146	2.1
141.06734	1.3
144.07793	0.9
151.08771	8.8
153.06691	5.9
153.07826	3.9
155.08299	5.3
164.04608	0.8
164.09554	1.9
167.11954	0.9
168.11414	1.3
169.09875	2.2
174.05493	1.3
186.12494	1.2
187.61298	0.8
188.11940	4.2
193.13411	1.8
195.11383	1.5
197.16783	0.8
200.13927	0.9
204.11395	1.4
205.14586	1.0
207.15024	7.8
208.22299	0.7
211.14568	0.7
212.14043	7.8
221.14012	0.8
224.10358	4.0
224.17674	2.3
226.12003	0.9
228.17082	1.2
231.12526	11.6
232.10870	2.2
233.15306	0.7
239.15089	1.0
242.18977	3.6
248.15126	2.4
249.13586	3.3
251.15245	1.2
266.16217	4.3
267.14468	0.8
280.20514	0.7
281.19882	0.8
283.14041	0.8
307.21420	2.1
323.24551	1.5
325.22440	2.8
337.18872	0.9
341.25452	0.9
379.24567	1.1
394.22003	1.3
420.29605	1.5
438.31021	4.9
490.27924	0.9
590.34497	1.1
604.36627	1.1
688.45203	1.1
799.48438	100.0
800.48584	13.4
825.09106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36145	0.3
60.99312	16.6
63.91534	0.3
68.89995	0.4
73.04076	0.5
76.29306	0.4
81.02866	0.4
88.98812	100.0
89.99136	0.8
95.02567	0.3
99.01984	0.5
113.07222	1.3
119.05003	0.7
124.81760	0.3
129.10327	0.7
130.06242	0.5
131.65034	0.4
133.03023	0.4
146.06110	0.4
151.08766	0.8
153.06717	2.0
161.02452	1.8
168.11505	0.4
170.09357	1.7
179.03500	0.6
185.62720	0.4
186.12483	0.4
203.08322	0.9
209.59081	0.4
260.10281	0.5
265.16623	0.9
276.13611	0.4
283.17764	0.6
320.44418	0.4
526.31421	0.4
683.32001	0.4
697.36719	6.0
698.37079	0.9
699.36652	0.4
741.39526	0.5
787.37708	6.2
788.38312	1.5
800.49707	0.6
801.49255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98833	2.2
66.03481	3.2
71.01371	2.0
109.86478	2.1
111.08254	1.8
113.07219	34.1
114.05583	8.4
124.04034	2.4
132.08174	2.9
139.05118	16.1
139.08746	6.1
140.07204	2.9
146.06136	15.3
163.08778	2.1
165.06693	12.3
167.08279	19.2
184.10974	4.1
192.11353	2.8
193.09827	8.1
199.12256	3.1
209.12997	2.8
210.12456	5.1
214.12341	2.9
244.64482	2.1
259.14456	3.9
264.13553	5.3
264.17233	2.8
289.16794	3.3
311.21069	2.6
334.39709	2.3
475.27182	3.9
514.61121	2.2
591.50330	2.3
622.33508	17.9
720.95935	2.3
831.47833	100.0
832.48291	10.8
842.09552	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	831.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.3
69.93867	0.6
111.08112	0.3
133.63657	0.3
142.30476	0.2
220.14655	1.1
221.13394	0.2
221.15479	5.3
221.17462	0.4
252.13750	0.6
255.40277	0.3
277.21759	1.1
289.21756	1.2
317.21237	100.0
318.21558	6.6
390.12158	0.3
470.82761	0.3
483.60687	0.3
504.09756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.8
61.98834	42.0
67.42019	0.5
70.32949	0.5
71.01389	6.6
73.02980	0.5
77.23713	0.4
77.41535	0.5
79.98132	0.4
83.01427	0.5
85.02950	4.9
87.00893	1.1
89.02454	3.7
93.27773	0.5
95.01397	2.1
96.44152	0.5
96.72964	0.5
101.02470	2.0
105.03486	1.2
113.02462	10.4
115.01868	0.6
117.03462	1.3
119.03498	0.5
131.03517	2.1
132.02170	2.2
133.02966	39.3
134.03809	3.8
135.04543	12.2
148.03091	0.5
149.06085	0.7
160.01674	2.0
161.02457	100.0
162.02805	3.3
175.04028	1.5
179.03511	6.1
191.05649	0.8
193.05066	1.2
212.59515	0.5
225.97539	0.5
746.95740	0.5
769.25629	69.3
770.26031	8.1
813.53668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.0
61.98835	100.0
70.02692	0.3
70.50710	0.3
71.01396	2.7
72.99257	0.3
73.02936	0.4
83.01411	0.3
85.02956	3.1
87.00919	0.4
89.02454	1.5
95.01413	1.0
101.02480	1.1
113.02468	5.0
113.30177	0.3
117.03493	0.5
123.04484	1.4
131.03526	0.9
132.02199	2.2
133.02989	1.1
134.03751	5.1
134.04709	0.3
135.04550	4.7
149.06123	0.9
153.05583	2.2
160.01665	10.1
161.02478	4.8
175.04015	10.1
175.05466	0.6
176.04391	0.4
178.02731	0.5
179.03490	0.7
191.05611	0.7
193.05077	4.5
297.09607	0.5
315.10825	0.4
347.17160	0.6
365.64880	0.3
461.17029	1.0
484.40347	0.3
485.13113	0.6
593.20667	1.7
637.21930	0.5
716.27533	0.9
769.25671	24.6
770.25696	3.3
833.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
68.67040	0.4
70.74686	0.7
71.01385	15.5
72.99286	0.5
73.02979	0.4
75.00867	4.3
78.60604	0.4
85.02919	0.6
87.00890	0.6
89.03984	1.5
99.00878	1.5
101.02431	0.7
104.75460	0.4
111.66004	0.4
113.02505	0.4
115.00385	7.2
117.03465	4.2
119.05010	0.8
119.41611	0.4
121.02934	0.6
124.34700	0.4
133.01433	6.9
134.03751	54.3
135.04080	1.0
137.02423	0.7
143.03522	1.6
146.91650	0.4
149.02431	2.8
149.06084	5.4
161.04597	0.5
163.04068	2.4
164.04727	2.0
178.02750	4.7
179.05624	18.5
193.05069	100.0
194.05444	3.2
223.06126	5.7
309.06165	6.1
325.09229	3.5
334.48193	0.5
347.17105	1.1
543.67511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.6
69.88149	5.6
71.01385	26.8
75.11826	1.4
78.26154	1.4
83.01403	1.8
85.02953	2.4
88.88711	1.6
95.05057	4.7
107.03746	2.6
115.00388	29.3
120.08210	13.4
121.05351	2.9
122.06138	54.1
133.01447	12.5
134.06093	2.6
135.04523	5.5
144.04529	2.2
174.05615	8.2
179.03456	3.9
199.08795	1.9
203.05751	2.4
220.13055	1.6
223.08809	2.2
236.09665	8.1
237.10350	5.0
241.13506	2.7
249.10345	1.7
249.13995	2.8
250.11107	2.6
251.11905	28.3
252.12648	2.7
263.11758	2.4
264.08862	2.2
265.09781	2.3
265.13489	3.1
266.10355	2.0
268.08505	2.0
276.09146	2.9
277.09854	9.5
278.10565	4.6
279.07996	1.7
279.11411	4.3
283.10974	3.2
287.13992	3.0
291.11453	18.1
292.12167	18.0
293.09543	2.5
293.12845	15.1
294.10330	1.6
295.10883	2.9
319.92084	1.7
324.11237	2.2
335.10336	6.6
336.11224	4.1
337.12042	2.0
344.14127	2.4
358.15622	2.4
372.17108	18.6
373.17706	8.6
374.18692	5.3
384.13528	1.9
386.14859	2.8
400.16467	5.9
414.18259	22.9
415.18915	7.4
418.17740	18.5
441.16998	2.5
446.20840	3.5
458.17322	12.7
459.18027	14.0
460.18134	2.0
478.19678	3.2
490.19891	32.6
491.20233	3.2
493.26074	2.6
495.24014	10.1
537.25116	26.5
538.25348	4.0
541.30560	2.5
550.22290	3.8
569.27588	3.6
581.24091	59.6
582.24164	6.4
597.27002	3.6
599.24701	2.0
613.26721	100.0
614.27118	11.7
627.25995	3.5
631.27802	2.4
641.26483	9.7
657.70978	1.6
673.29041	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	833.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.3
61.81922	1.6
61.98847	2.2
69.73309	3.1
69.73682	3.7
71.01376	8.2
73.02966	3.1
84.95140	2.5
85.02962	4.0
88.10641	1.6
89.02461	3.0
94.06685	1.7
95.05060	2.7
98.21973	3.9
101.02434	4.8
107.03769	1.8
113.02486	2.8
115.00367	9.9
120.08215	19.7
121.05334	3.6
122.06134	53.0
133.01465	4.1
133.02954	2.4
135.04556	4.3
144.04564	2.9
161.02425	12.0
161.04582	2.4
174.05577	5.0
179.03447	2.8
203.05934	3.5
213.10483	2.3
223.08734	3.3
236.09476	4.1
237.10312	4.8
237.33682	2.2
239.08398	1.8
241.13559	2.3
249.10271	2.7
250.11163	4.3
251.11919	27.4
252.12587	3.0
263.08167	2.8
263.11862	3.6
264.08911	4.1
265.09622	2.3
265.13470	6.4
276.09033	2.1
277.09863	11.9
278.10641	20.1
279.11395	2.6
291.11417	22.4
292.12134	19.1
293.12958	29.5
294.13208	2.1
295.10645	3.4
296.11542	2.9
316.44336	1.9
319.10748	2.1
319.22748	27.3
324.11029	3.8
325.11932	2.9
325.15536	4.7
335.10345	6.3
336.11029	6.6
337.11887	10.7
337.23920	9.1
344.14151	4.1
369.14645	2.1
372.17163	14.9
373.17911	5.6
374.18863	7.4
379.17831	2.1
379.24573	1.9
386.14853	3.6
392.70905	1.7
399.15924	2.1
400.16660	7.1
414.18234	19.9
415.18710	5.9
418.17752	15.6
446.21341	3.5
458.17065	11.3
459.17859	9.6
478.20108	3.9
481.28271	12.0
490.19803	35.4
491.20197	4.3
495.24057	6.2
499.29221	21.1
537.25006	15.3
541.30206	100.0
542.30481	5.6
550.21985	7.5
551.22662	4.8
581.24023	37.7
582.24304	3.7
583.30859	3.8
613.26660	87.6
614.26917	9.0
631.27808	8.3
641.26105	4.8
647.28052	2.2
673.28815	97.7
674.28833	12.1
858.70441	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	833.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.4
61.98806	1.7
66.81657	1.6
67.05742	1.3
69.03434	1.7
71.01386	10.8
73.02959	2.1
78.07231	1.5
81.03465	1.7
84.95133	2.9
85.02972	3.3
89.02430	3.6
95.05026	3.1
101.02476	2.5
107.03759	4.4
108.40149	2.1
110.31864	1.6
113.02466	2.9
115.00372	6.0
120.08198	22.5
121.05325	5.2
122.06133	58.6
130.24126	1.8
133.01494	2.2
133.02919	2.6
144.04558	3.4
161.02422	6.0
164.29391	1.8
166.57837	1.8
174.05548	5.7
179.03386	2.8
203.05861	3.2
222.07915	1.5
223.08786	2.2
236.09506	7.1
237.10333	5.7
238.11076	3.5
239.11798	2.3
241.13550	2.8
249.10211	2.5
249.13927	2.8
250.07541	2.3
250.11031	4.1
251.11888	29.9
252.12708	3.4
263.08206	4.7
263.11942	3.1
264.08972	4.7
265.09738	4.5
265.13489	4.7
266.10645	2.1
271.47391	1.5
276.09061	3.5
277.09845	15.8
278.10577	17.2
279.11288	3.1
285.12436	2.3
291.11435	19.4
292.12225	18.8
293.09564	3.4
293.12924	29.2
295.10828	3.1
296.11954	2.8
309.12497	2.3
319.10870	3.4
319.22769	22.2
325.11899	3.1
325.15564	3.8
335.10223	10.4
336.10959	6.0
337.11972	13.1
337.23950	8.0
344.13934	4.2
358.15463	4.7
359.16370	2.6
360.16989	2.1
370.19193	3.1
372.17139	14.1
373.17950	5.0
374.18674	7.8
379.17395	5.1
384.13348	2.1
386.14929	4.3
399.15991	3.5
400.16556	3.8
402.01791	1.8
402.18332	2.0
414.18250	23.7
415.18961	3.9
418.17780	20.7
446.21414	2.4
458.17139	11.4
459.18054	11.6
481.27924	10.4
490.19839	36.1
491.20187	3.0
495.24069	5.2
499.29190	18.5
500.29318	2.6
537.25012	14.4
541.30225	100.0
542.30298	2.1
550.21869	6.7
551.22906	3.3
581.24103	43.1
583.31451	4.0
613.26746	90.1
614.27350	4.6
629.25824	2.1
631.28320	7.6
631.36810	1.7
641.26550	3.5
647.27844	2.6
673.28821	99.6
674.28754	7.1
855.18616	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	833.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.3
71.01391	6.7
73.02952	9.5
79.15295	0.4
83.01377	1.8
85.02969	2.1
87.00860	0.4
89.02457	2.7
95.01409	0.4
101.02454	6.3
105.88220	0.4
113.02457	2.7
119.03513	0.5
126.69926	0.3
133.02963	1.3
135.04503	0.5
140.87851	0.4
161.02437	1.4
161.04588	0.6
169.05737	0.3
179.03455	0.5
259.20737	0.6
301.21686	2.4
319.22784	9.7
320.23407	0.5
321.24426	1.5
337.23874	1.3
462.87863	0.4
481.28043	3.4
499.29205	14.5
500.29807	0.7
541.30212	100.0
542.30450	5.6
583.31372	1.6
703.25739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
59.78263	0.3
69.03465	0.3
69.63155	0.6
69.63503	1.2
71.01379	1.8
73.02937	0.9
75.00894	0.5
85.02953	0.9
86.00103	0.4
101.02451	1.2
113.02454	1.4
124.46035	0.3
161.02426	0.9
205.12378	0.8
207.13908	1.5
221.15427	0.6
265.14474	0.7
301.21906	0.7
307.22705	0.4
319.22794	21.2
320.23090	1.5
337.23843	5.9
338.24530	0.4
361.16714	0.4
379.17545	0.6
390.85779	0.3
481.27951	3.7
495.29834	0.7
499.29214	9.6
500.29852	0.7
523.28717	0.6
541.30219	100.0
542.30646	8.0
583.31372	2.7
741.80908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.6
59.01382	7.2
61.98839	0.6
64.63070	0.4
69.51317	1.8
70.06400	0.3
71.01387	3.7
73.02953	2.1
78.95895	0.5
83.01398	1.0
85.02965	1.1
89.02435	0.7
90.80895	0.4
99.00856	0.5
101.02431	2.3
113.02454	1.4
115.00351	1.1
120.08196	0.6
122.06129	1.8
124.83756	0.4
125.02443	0.6
129.50963	0.4
135.04527	0.5
143.03542	1.2
155.03534	0.5
157.33510	0.4
161.02406	0.5
161.04584	0.8
179.05582	0.4
184.43520	0.4
189.12770	0.5
203.05545	2.5
203.35329	0.4
207.10278	1.0
209.11858	1.3
210.89456	0.4
221.06697	0.5
225.11346	0.6
251.11908	0.6
268.81244	0.4
291.11493	1.5
292.12201	0.9
293.13120	0.6
303.23074	0.4
335.10400	0.7
337.23874	100.0
338.24188	5.2
351.25421	5.4
372.17456	0.5
379.24948	13.6
380.25137	0.6
409.26221	0.8
458.17435	0.8
461.04401	0.4
490.20032	3.0
491.20117	0.4
523.29614	0.5
537.25409	0.7
541.30219	1.5
581.23969	2.5
583.31390	2.3
613.26630	4.7
614.27405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
61.98838	7.3
67.65808	0.4
71.01389	4.6
73.02960	0.4
78.91880	0.7
85.02956	4.9
89.02480	1.7
95.01398	1.6
101.02449	0.9
105.03457	0.8
113.02458	12.8
117.03506	0.7
119.03487	0.6
119.89677	0.3
123.04538	1.2
132.02194	1.3
133.02968	29.1
134.03404	0.7
135.03490	0.8
135.04535	16.3
136.04890	0.5
153.05589	1.0
161.02461	100.0
162.02802	3.6
179.03526	8.0
180.03857	0.7
185.57303	0.4
210.49791	0.4
216.43298	0.3
217.75558	0.4
266.08279	0.4
280.79044	0.4
297.10101	0.4
315.10883	1.5
461.16580	3.0
462.16763	0.6
499.73068	0.4
623.19855	79.6
624.20178	7.2
735.22095	0.6
755.23987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32378	0.2
62.23185	0.2
67.12302	0.2
70.72855	0.4
71.01386	11.1
72.02650	0.2
76.45688	0.3
78.01115	0.8
83.01382	0.3
84.89602	0.2
89.00340	1.5
91.01903	0.9
106.00623	2.2
111.00897	0.3
114.99563	0.4
115.00383	7.5
118.92653	0.3
121.02965	30.3
122.03346	0.3
123.00846	1.7
127.00394	0.4
133.01422	0.4
136.98785	0.4
138.03223	3.9
139.00316	0.4
153.05589	24.9
154.05867	0.3
166.99861	1.5
182.02232	4.8
197.04561	100.0
198.04892	2.2
269.06644	0.7
313.05676	6.1
314.05612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
69.12755	4.0
71.01390	7.7
73.02925	1.1
81.03487	1.3
85.02969	7.3
87.00888	2.1
89.02443	7.9
93.03471	0.9
95.01385	1.7
96.11723	0.8
96.96048	1.0
97.02947	1.8
101.02454	2.3
105.03474	1.0
109.02956	1.7
109.57124	0.9
111.00950	0.8
113.02446	10.0
117.03481	5.0
121.02956	1.6
122.03723	1.4
123.04544	14.2
131.03481	5.9
132.02199	8.8
133.02972	6.7
134.03758	75.4
135.04587	8.0
137.02458	1.8
137.41341	0.7
143.03566	1.1
149.02455	5.4
149.04594	3.3
149.06093	8.8
150.03236	23.2
151.04022	21.5
160.01672	35.5
161.02467	12.3
162.02818	1.1
163.04001	1.8
166.18439	0.8
175.04013	31.2
176.04349	1.2
178.02719	11.5
179.03557	6.1
180.03911	1.2
191.05656	4.0
193.05070	100.0
194.05412	2.4
233.06657	3.2
259.06003	1.2
265.07104	1.6
277.09360	2.3
295.10510	0.9
337.09329	3.2
355.85565	0.9
450.33240	0.9
489.16248	3.6
490.81189	0.9
573.18195	1.1
591.19318	2.5
615.19373	1.2
633.20624	1.3
635.19836	1.5
756.51312	0.9
767.24066	55.4
768.23920	5.0
799.26855	16.0
800.26831	1.8
835.28461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.8
68.37814	0.5
69.18867	2.7
71.01385	9.4
73.02942	2.5
83.01403	0.9
85.02965	8.0
87.00866	0.5
89.02454	4.0
95.01408	3.1
101.01881	0.4
101.02444	2.9
103.03978	0.5
104.02667	0.5
113.02464	14.9
116.48457	0.5
117.03444	1.3
119.03471	1.1
129.01939	0.6
132.02191	16.7
133.02977	3.4
134.03761	21.3
135.04500	1.5
137.06053	0.9
143.03514	0.5
149.06084	3.5
152.04832	1.2
153.11804	0.5
160.01675	84.2
161.02451	8.6
167.07146	3.1
175.04021	98.6
176.04391	3.8
178.02759	1.2
179.03560	0.7
193.05090	11.2
194.05554	0.6
310.26282	0.5
461.16577	0.5
475.18323	1.4
623.19946	1.3
651.22986	100.0
652.23450	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	835.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.7
65.00331	0.3
71.01389	6.1
72.99294	0.2
73.02945	0.6
77.03967	0.2
83.01395	1.3
85.02470	0.4
85.02959	6.0
86.00092	0.3
87.00873	1.5
89.02457	3.2
89.03951	0.2
91.01888	0.2
95.01398	1.5
95.05035	0.3
101.02449	1.7
104.02701	0.3
105.03470	1.1
107.05035	0.3
108.02186	0.5
109.02957	0.3
111.00868	1.0
113.02458	8.0
115.01878	0.2
117.03490	2.0
119.03541	0.4
121.02954	0.2
123.04540	1.4
124.01662	0.2
129.01956	1.7
131.03502	2.9
132.02177	4.2
133.02969	43.1
134.03842	2.2
135.04544	11.9
135.52715	0.2
136.04866	0.4
137.02454	0.2
143.03499	0.3
149.04596	0.4
149.06104	0.3
152.01190	0.6
160.01663	2.8
161.02457	100.0
162.02800	2.7
167.03494	2.3
175.04024	3.0
176.04399	0.3
179.03526	5.7
189.05580	0.2
191.05617	0.9
192.04358	0.3
193.05037	0.3
200.04778	0.3
203.11931	0.4
207.06650	0.8
215.07137	0.2
233.04625	0.4
233.08331	0.5
235.06104	0.7
261.03967	0.3
261.07797	0.5
279.05191	1.5
287.05713	0.2
383.11349	0.8
390.95090	0.2
670.01965	0.2
673.28113	0.5
703.27338	0.5
793.53125	0.2
814.43372	0.2
835.31488	41.5
836.31738	5.0
861.50830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.8
59.05921	0.7
61.33171	0.6
65.26446	0.7
69.20883	1.3
69.21275	2.0
71.01385	11.9
73.02953	1.5
82.95422	1.1
83.01385	2.6
85.02959	12.3
86.00085	0.7
87.00884	2.0
89.02448	6.8
89.03960	1.6
95.01398	2.9
96.96031	1.5
98.22626	1.3
101.02438	3.5
108.02179	1.0
111.00819	0.8
113.02451	17.0
117.03487	4.8
119.03535	1.0
123.04560	1.0
125.02455	1.8
127.04044	1.0
129.01965	1.5
131.03513	4.4
131.62181	0.6
132.02182	26.9
133.02936	2.5
134.03752	64.3
135.04477	3.0
137.02412	0.9
143.03522	1.6
147.04546	0.9
149.04585	1.7
149.06088	5.3
159.85051	0.6
160.01666	90.7
161.02484	8.2
161.04492	3.1
167.03485	1.9
175.04013	100.0
176.04398	2.9
178.02695	2.2
179.03499	1.9
189.10263	0.7
191.05609	2.2
191.07150	0.7
193.05066	65.0
194.05400	2.3
218.05757	0.6
233.06671	0.8
235.06235	1.2
265.07159	1.5
279.05243	0.7
337.09177	0.8
383.11316	1.1
388.03152	0.7
527.22180	1.1
557.21600	0.9
583.84320	0.7
659.26758	2.8
703.27002	0.9
719.31348	0.8
835.31488	43.0
836.31732	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01712	0.5
69.13113	2.6
71.01385	7.9
73.02940	3.1
83.01406	1.1
84.24562	0.4
85.02968	2.9
87.00903	0.6
89.02450	3.5
95.01362	0.6
97.03036	0.5
99.00930	0.5
101.02443	4.5
113.02455	3.7
119.03502	1.2
142.07773	0.4
143.03555	0.4
161.04593	2.1
179.05693	1.1
331.17679	4.1
373.18735	6.1
374.19217	0.8
439.00601	0.5
540.33716	0.5
710.37469	0.6
806.99603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88433	0.5
67.03004	1.4
71.02501	3.4
71.41008	0.5
73.04070	3.5
74.02455	0.8
76.66610	0.6
81.04515	0.5
82.01730	0.8
83.02499	1.7
84.00427	0.8
84.00912	7.5
85.04070	1.4
87.05640	4.3
91.05522	1.5
93.03440	2.3
95.02518	2.7
97.00446	1.0
97.04058	1.4
98.01251	0.6
98.02473	1.0
99.02019	6.1
107.05043	0.7
107.40720	0.6
109.04096	3.5
110.01232	0.8
110.02509	0.8
110.03590	1.1
110.06114	1.4
111.01997	5.1
111.05623	0.9
112.03984	0.6
112.05157	0.8
113.03587	17.6
113.07218	30.4
114.05611	1.4
116.05090	4.6
118.06637	3.7
118.71421	0.6
119.05036	29.4
123.05616	0.8
124.05148	0.9
125.03604	1.3
125.07211	1.0
126.06712	3.1
127.05115	1.7
128.04675	1.0
130.06241	1.9
131.05025	1.7
132.04585	1.0
133.05244	0.6
134.06116	1.5
135.05640	1.3
137.07228	0.8
138.03111	0.8
139.05124	2.0
139.08746	1.0
142.06580	1.4
144.07779	2.1
145.02966	0.9
146.06131	20.4
147.04613	0.6
148.07712	0.7
149.07181	1.2
151.05142	1.5
151.07510	0.8
152.08305	3.5
153.06709	36.2
154.07063	0.7
156.07967	0.8
157.05305	1.5
158.06122	6.2
159.09283	1.1
160.07642	2.9
161.02440	1.8
162.05641	3.2
163.05080	1.6
163.08755	1.0
164.04630	0.5
166.09868	3.1
167.08252	3.7
170.05724	0.8
170.09366	11.8
172.07677	0.8
173.07126	0.8
174.05630	1.5
178.06195	1.7
179.04613	2.1
179.08275	1.1
184.10919	29.0
185.07210	4.1
186.03929	1.0
186.05608	18.6
189.06670	3.0
189.10338	0.8
196.10875	0.7
199.08745	3.0
199.12411	1.3
200.07204	2.9
202.05064	4.0
203.08261	16.1
209.10417	1.3
210.08865	5.2
213.10204	1.0
216.11516	0.9
217.09798	1.9
219.07771	3.1
220.10982	1.5
222.11212	1.1
223.12003	10.6
224.10434	0.7
225.10156	0.9
227.11588	1.4
230.12994	1.4
236.10417	1.8
241.13026	4.8
242.09384	4.9
242.12990	2.3
243.07753	1.6
243.11363	2.6
248.10909	1.0
255.11391	0.8
256.10928	2.2
256.14563	1.0
260.10397	5.8
260.14008	5.9
264.10226	1.2
270.15872	0.7
274.11993	0.7
277.13058	0.6
279.46680	0.5
280.14252	0.9
282.12567	4.3
283.10632	1.0
286.15619	0.6
292.09830	1.9
296.13922	1.1
298.15161	1.2
299.15292	3.2
300.13522	6.1
305.12967	0.9
309.12433	1.4
313.16748	2.3
314.14923	0.9
315.14828	0.7
316.13052	0.8
317.16183	2.6
331.17911	1.2
336.13751	0.6
339.14471	0.7
356.17035	0.7
357.15521	0.8
366.14529	1.1
370.18854	1.5
371.17194	1.0
374.18463	1.7
388.20013	3.4
428.19159	5.1
464.22528	0.8
467.24152	1.0
480.22372	2.9
485.21396	0.6
520.21594	3.9
524.26111	1.5
534.23578	1.5
542.27441	7.4
543.27490	1.7
561.25183	0.8
575.26221	2.2
591.25769	4.5
592.26123	0.8
616.27985	0.8
617.27264	0.8
631.28577	1.3
632.32086	6.3
634.30060	6.9
648.31628	8.9
649.31683	1.3
667.28937	1.2
724.35199	1.0
729.33545	3.0
791.38910	1.2
817.36371	1.6
835.37921	100.0
836.38367	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	835.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	29.6
59.73769	1.9
60.30371	1.9
61.13485	1.8
61.98824	8.9
69.03469	2.0
71.01391	19.6
72.99322	2.5
73.02946	5.1
78.49471	1.7
81.03461	2.3
83.01397	3.1
84.08242	2.0
85.02967	4.9
86.90185	2.4
87.00884	4.0
89.02438	13.4
98.22749	2.0
101.02452	15.1
111.08170	2.2
113.02435	8.9
114.60123	1.9
119.03520	3.3
121.28611	2.2
125.02457	2.7
161.04590	2.2
165.12875	13.3
175.76274	1.9
183.13907	100.0
184.14203	2.5
209.11877	5.5
211.13565	2.8
221.06686	2.8
227.12897	9.9
292.16412	2.0
305.08716	2.2
402.76025	2.3
625.27155	4.5
791.41034	3.2
792.54053	2.5
817.38965	4.0
835.39844	99.0
836.40216	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	836.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
71.01382	5.7
73.02881	0.5
73.26813	0.4
77.03992	0.4
81.82786	0.4
83.01392	1.0
85.02951	3.5
87.00883	1.7
87.30116	0.4
89.02452	2.5
93.03444	0.5
95.01381	1.3
95.05062	0.5
101.02438	1.2
105.03451	1.1
113.02464	7.7
117.03481	1.7
119.03527	0.5
131.03545	1.3
132.02191	3.4
133.02971	45.5
134.03702	1.6
135.04543	12.8
136.22342	0.5
137.02345	0.5
149.04607	0.5
157.78937	0.4
161.02463	100.0
162.02805	3.0
175.04041	0.5
179.03511	6.2
191.05659	0.7
216.09894	0.4
353.46384	0.4
358.80139	0.5
561.78564	0.5
619.43066	0.5
716.40112	0.5
775.25787	3.0
793.26697	1.7
819.24664	10.2
820.25739	0.6
836.27472	23.6
837.27759	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	836.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97540	0.2
61.98839	0.4
64.98526	0.3
69.08342	1.4
69.15666	0.3
78.95913	1.3
80.65850	0.2
83.05016	0.3
98.21804	0.5
152.99626	0.5
220.14713	1.6
221.15483	5.4
242.08081	0.4
279.23318	18.2
280.23703	0.9
289.21759	1.6
309.20517	0.3
317.21234	100.0
318.21555	6.1
337.27841	0.3
346.97018	0.3
389.26270	0.3
401.16257	0.3
417.86505	0.3
422.75894	0.3
454.48285	0.3
504.30997	14.6
505.31262	0.9
741.06476	0.3
836.54260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	3.0
65.99033	2.7
70.45872	8.2
71.01378	6.8
71.91823	2.7
78.98592	7.3
79.95731	20.4
80.96526	88.2
87.00883	4.5
94.98101	21.2
98.22517	4.5
101.02438	3.1
101.47993	2.8
106.98103	3.8
122.97623	5.6
134.97603	5.9
148.99144	6.3
152.98621	4.7
164.98633	7.9
225.00740	11.9
336.70996	2.8
341.01633	2.9
352.43768	2.7
363.01178	3.2
408.36475	3.4
453.04984	3.2
663.38300	3.6
837.48431	100.0
838.49182	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	838.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
60.17764	0.5
71.01385	8.5
73.02941	1.8
79.05502	0.5
83.01380	0.7
85.02951	8.5
87.00898	0.6
87.20924	0.5
89.02467	3.8
89.03989	0.7
95.01379	3.5
101.02449	2.0
105.03483	0.7
109.02984	0.6
113.02456	16.9
114.02789	1.2
117.03497	1.4
119.03547	0.9
123.04543	1.9
127.10937	0.6
132.02174	7.1
133.02972	37.1
134.03777	10.9
135.04562	14.7
136.04889	0.6
137.02489	0.7
143.03627	0.8
146.71454	0.5
149.06151	1.2
152.04733	1.0
153.05565	0.9
156.31825	0.6
160.01669	29.5
161.02454	100.0
162.02838	3.2
167.03627	0.7
175.04008	30.8
176.04349	12.1
177.04527	0.7
178.02701	1.0
179.03508	6.7
191.05608	0.7
193.05057	9.3
194.05415	1.9
194.07120	0.5
195.05579	0.5
204.01299	0.7
208.08630	0.5
234.80052	0.5
315.10886	1.5
461.16437	4.1
607.20483	0.7
623.19818	57.7
624.20245	6.0
625.20441	1.7
651.22900	6.3
652.23315	31.2
653.23273	3.6
654.23999	4.4
715.57324	0.6
725.71448	0.7
795.27411	1.1
838.24481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
65.63840	0.4
69.27916	2.7
71.01385	6.1
72.99326	0.5
73.02946	0.7
74.67647	0.5
77.03979	0.4
83.01383	3.9
85.02960	9.2
89.02444	2.2
91.01910	0.8
95.01394	2.7
101.02452	1.8
105.03452	0.7
106.23747	0.5
108.02182	4.1
110.32162	0.4
111.00885	6.8
111.15465	0.4
113.02460	11.4
117.03487	1.0
121.02947	2.0
123.00908	1.6
123.04539	5.7
124.01611	0.7
129.01947	4.9
132.02220	1.7
133.02975	35.5
134.03699	1.7
135.04538	13.7
136.01625	1.1
152.01147	1.3
153.05623	2.0
154.99855	1.0
160.01682	1.0
161.02458	100.0
162.02792	2.3
163.04077	0.7
167.03517	8.9
174.03244	2.9
175.04065	2.2
177.65576	0.5
179.03511	4.4
189.05515	2.8
192.04333	2.5
193.05092	2.9
197.04649	2.3
207.06671	3.3
220.03793	0.6
233.04507	2.6
235.06143	5.2
261.03973	3.2
279.05161	4.4
315.10855	1.0
329.10199	0.5
330.39648	0.5
357.09689	3.3
385.09360	2.6
461.16812	4.0
623.19836	62.9
624.20178	4.0
652.23334	0.8
707.21729	1.0
714.15417	0.5
794.23389	1.1
838.22223	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	839.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
65.00340	3.1
67.01891	3.3
69.31208	6.6
71.01367	1.8
83.01394	52.7
85.02953	29.9
85.16372	1.1
91.01898	11.2
95.01408	3.2
99.66078	1.1
106.00656	1.4
108.02178	39.6
109.02994	1.9
111.00888	83.4
112.79678	1.3
113.02454	1.9
115.77341	1.2
121.02962	14.6
123.00895	17.0
123.03631	2.9
123.04533	56.4
124.01670	12.7
127.00357	2.7
127.45897	1.1
129.01956	55.9
129.88800	1.2
132.19539	1.3
133.02995	6.0
134.03735	4.0
135.04507	6.3
136.01686	16.0
136.98819	4.0
137.02393	1.4
138.03233	1.6
145.02899	2.1
146.03764	3.1
147.04597	2.1
150.03171	1.4
151.04048	3.0
152.01146	13.3
153.05582	9.9
154.99852	10.5
161.02470	17.5
161.06061	1.4
162.02850	2.2
163.04057	5.0
164.04808	5.5
166.02747	3.7
167.03503	100.0
168.03783	1.4
169.56497	1.2
173.00999	1.7
173.02446	1.6
174.03229	32.3
175.03986	2.2
176.04764	2.4
179.03528	5.1
179.07161	1.8
182.02196	4.9
185.64059	1.2
189.01993	1.3
189.05574	26.2
190.02750	2.7
191.03592	1.9
192.04285	25.9
193.05026	2.5
197.04576	22.4
202.02753	3.7
205.05150	1.8
207.06628	37.5
217.05106	3.1
218.02211	1.9
220.03764	4.7
233.04572	28.7
235.06139	70.7
236.06548	2.0
251.05595	1.9
261.04041	40.1
265.06909	1.6
274.50259	1.2
279.05130	52.8
309.06061	2.4
329.10272	2.7
357.09827	44.6
360.87622	1.3
385.09332	38.8
387.10703	2.0
415.10425	2.0
600.94714	1.5
623.19952	2.9
624.20416	3.8
839.25342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
69.03439	1.5
70.72388	1.4
71.01389	10.6
72.99322	0.9
73.02950	2.5
76.20435	0.7
83.01384	1.5
85.02962	6.3
87.00887	3.0
88.75311	0.6
89.02461	5.5
89.04003	1.7
95.01400	1.2
97.02994	0.8
99.00862	1.1
101.02460	3.8
112.18198	0.6
113.02478	8.2
117.03469	3.8
119.03582	0.8
119.05041	5.3
125.02499	0.8
127.04022	1.1
131.03531	5.1
132.02182	27.8
132.03186	1.4
133.02988	1.3
134.03755	48.9
135.04503	3.0
137.06093	3.3
143.03503	1.2
149.04498	1.0
149.06099	3.8
160.01669	90.0
161.02310	4.4
161.04623	0.9
175.04016	100.0
176.04311	2.9
178.02635	3.5
179.03543	3.9
191.02017	0.8
191.05609	1.3
193.05064	36.5
194.05289	0.9
203.05634	0.8
281.10071	0.9
299.11584	0.8
481.15625	1.1
487.17990	0.8
559.20343	1.6
577.21265	0.8
601.21368	3.9
619.22638	11.8
620.22449	1.4
663.22723	1.8
795.27222	63.7
796.27576	9.0
816.78290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	99.9
69.03465	1.7
71.01389	62.7
71.39878	2.5
72.99306	1.8
73.02965	3.7
83.05046	7.1
85.02966	14.7
87.00876	2.8
89.02450	65.3
93.03458	6.4
95.01379	4.7
95.05045	3.2
96.96024	4.2
97.02962	2.5
99.00885	28.7
101.02454	28.2
107.05025	2.1
111.04501	1.8
113.02468	36.0
119.03512	25.0
119.05016	14.0
121.02164	3.0
121.02966	36.5
121.06542	1.8
122.03730	2.3
123.04539	9.1
131.03494	4.4
133.02980	15.9
133.06621	1.9
134.03673	2.2
135.04533	20.9
137.06100	15.4
139.04025	24.2
143.03540	7.1
146.13287	1.5
147.04559	4.2
149.04568	2.6
149.06049	2.1
150.03175	2.1
161.02473	33.0
161.04544	18.9
161.06062	9.0
162.02744	3.3
165.05580	100.0
166.05917	3.0
175.03969	1.6
177.05644	1.5
179.03510	15.2
179.05608	69.5
179.07066	2.6
180.03844	2.1
183.06638	33.7
184.06956	1.7
189.05583	1.7
207.06650	11.3
235.91154	1.6
237.07648	2.5
253.00278	1.6
267.08563	3.0
309.09772	1.8
327.10730	2.2
338.11362	2.4
345.11938	82.3
346.12296	4.2
363.13025	3.1
373.11240	2.2
389.18518	1.6
405.13977	18.8
501.16443	2.1
554.76117	1.6
633.19171	1.7
647.20813	1.9
795.23596	6.0
839.27557	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	839.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77034	0.2
78.95907	0.7
79.95747	3.2
94.92529	1.7
94.98093	0.3
95.97628	0.2
96.92224	2.4
96.96019	100.0
99.02016	0.2
113.02455	0.2
113.07247	0.2
133.02953	0.7
134.03737	0.2
135.04536	0.4
144.68140	0.2
148.22400	0.2
158.31766	0.2
160.01556	0.2
161.02467	1.3
178.73260	0.2
179.03496	0.3
193.05196	0.2
222.26028	0.2
265.16800	0.2
577.38629	0.2
639.82928	0.2
697.37115	0.8
735.31586	4.1
736.32019	0.5
809.36359	0.5
839.31354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.5
61.98825	19.1
69.37383	36.1
71.01379	8.8
89.02426	10.0
91.06284	6.7
101.27253	6.7
106.98415	6.7
113.02453	8.4
198.48303	9.0
211.13412	100.0
217.56458	7.0
397.13217	19.4
591.26306	26.0
609.27563	24.1
632.93652	9.8
785.40100	15.4
803.40472	19.8
839.38062	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	839.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.2
61.98833	24.2
69.15992	12.7
71.40926	13.1
85.90128	10.0
88.34132	12.5
89.02403	11.2
120.42355	11.9
136.83162	11.4
139.62022	15.8
146.03197	10.8
165.37294	12.3
211.13412	100.0
245.67134	9.5
397.13538	23.1
577.55334	12.3
591.26691	20.9
609.27844	23.5
785.39801	26.1
803.41479	18.5
839.38239	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	841.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81902	1.8
59.01376	10.8
69.39996	5.6
69.40379	3.9
71.01389	16.4
73.02984	2.1
75.21465	1.7
76.18629	1.9
84.25344	2.0
85.02956	20.6
86.00157	1.9
87.00893	3.5
89.02455	8.6
95.01380	4.7
96.96065	2.4
99.00839	2.1
101.02451	3.5
113.02465	24.0
117.03477	4.4
123.04529	2.8
131.03488	7.2
132.02167	5.5
133.02968	51.9
134.03789	18.8
135.04543	80.2
136.04861	5.4
149.04457	2.7
160.01682	9.0
161.02452	100.0
162.03035	9.3
163.03911	2.5
175.03973	8.5
178.02676	2.9
179.03520	64.1
180.03874	3.2
189.01895	10.2
191.05566	3.0
193.05042	19.2
221.04509	17.2
266.08279	3.5
350.44678	2.0
543.42615	2.2
601.81714	1.9
637.21924	3.3
679.20874	4.1
797.24506	2.8
841.24103	78.3
842.24664	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	841.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
59.78397	0.5
69.31683	2.2
71.01388	8.7
73.02959	1.1
83.01376	0.8
85.02959	3.5
86.94420	0.5
87.00896	0.8
89.02465	1.8
89.04034	0.6
95.01379	0.9
99.00916	1.0
101.02452	1.8
107.04983	0.5
113.02465	5.5
115.01891	0.6
117.03508	0.7
119.03508	0.7
123.04536	1.6
125.02503	1.5
131.03532	1.2
132.02199	3.3
133.02972	48.3
134.03760	1.1
135.04539	22.8
149.02472	1.4
153.05592	2.4
155.03513	0.6
161.02460	100.0
162.02756	1.8
164.04805	1.1
179.03496	5.7
191.05457	0.5
205.05188	0.6
223.06192	2.2
297.09860	0.8
315.10867	1.4
461.16647	1.4
488.37225	0.5
503.17990	1.1
601.67462	0.6
635.22131	5.2
665.20935	0.6
755.24048	0.8
797.25110	48.9
798.25421	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	841.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60633	0.7
58.83994	0.6
59.01385	9.8
67.30956	0.5
69.37344	2.9
71.01382	5.0
73.02954	2.2
77.03976	0.9
83.01393	0.8
84.51829	0.6
85.02945	4.0
87.00900	1.0
88.98783	0.9
89.02454	1.9
89.03985	0.7
95.01408	1.6
95.05013	1.0
97.02964	1.3
97.55302	0.5
98.21797	0.6
101.02444	1.6
105.03473	4.0
105.33720	0.6
108.02168	0.7
109.03001	0.6
113.02469	6.4
117.03501	1.3
123.04556	2.0
125.02489	0.9
131.03548	2.1
132.02208	4.1
132.73468	0.6
133.02971	61.6
134.03819	2.9
135.04538	24.8
136.01704	0.7
136.04843	0.9
137.02396	0.8
147.04565	1.0
149.02435	1.6
151.04037	0.9
153.05553	2.3
155.03505	1.1
161.02463	100.0
162.02815	2.9
164.01189	3.9
165.02010	0.7
177.01994	3.7
179.03499	10.1
180.03830	0.9
191.05692	0.9
203.03529	1.0
221.04524	1.2
315.11038	1.1
461.16541	1.5
593.21057	0.7
601.18024	2.0
623.20117	1.4
635.22198	5.9
749.19354	1.4
755.24579	0.9
781.22955	1.0
797.25159	48.0
798.25262	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	842.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
61.98825	1.1
66.03493	1.1
70.02954	1.1
71.01353	1.6
73.04087	1.9
83.06168	1.6
84.00922	2.8
85.02952	1.9
85.04075	1.4
87.05626	7.8
89.02425	1.4
91.05518	1.1
92.51621	1.2
97.04067	4.3
98.02456	1.6
98.21838	2.9
99.02005	1.2
102.54280	1.0
109.04079	1.6
110.02527	2.3
111.05632	2.5
112.04085	1.5
113.03586	6.2
113.07225	24.6
114.05664	1.2
114.17971	1.1
114.85403	1.0
116.05054	2.7
118.06631	1.7
125.07204	1.4
125.63639	1.0
127.05136	2.5
130.09883	2.2
133.01422	1.3
135.04561	1.2
137.07176	3.0
139.05164	2.7
139.08760	1.8
146.06105	8.4
147.66458	1.0
148.07651	2.9
149.07249	1.3
152.08284	4.8
153.06706	14.9
161.02478	2.1
164.08380	1.5
166.09853	6.9
167.08244	2.6
168.07782	1.4
170.09383	7.2
172.12144	1.1
174.05640	2.4
178.06276	1.6
178.09926	1.2
179.04706	1.2
180.11440	3.8
182.09235	1.6
183.12474	2.7
184.10884	7.8
191.09303	1.8
199.08795	1.9
199.12260	1.8
199.26237	1.1
200.07111	1.4
201.13609	3.3
206.09367	1.3
208.12131	1.6
209.10562	1.4
213.81490	1.1
215.11887	4.1
216.21246	1.0
217.09821	4.1
217.13376	1.9
223.11993	4.3
224.10255	2.2
225.10423	2.5
225.14853	1.1
227.11462	1.7
228.77391	1.0
241.13049	3.7
242.12990	4.9
243.11296	8.8
253.13420	1.6
260.14047	20.6
284.15289	2.7
302.16208	4.8
313.16669	9.2
320.17328	5.1
321.15848	2.3
331.17725	5.6
338.18579	1.5
356.17191	1.5
356.20990	2.6
373.20465	1.5
407.78629	1.2
416.24121	2.7
442.20828	1.8
487.27783	2.5
499.28949	1.7
598.30988	3.8
641.35175	10.3
674.33698	1.3
688.35455	1.7
731.40167	4.3
800.40552	6.4
842.43268	100.0
843.43231	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	844.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98835	100.0
66.97328	0.2
67.22283	0.2
70.20079	0.4
71.01396	0.2
85.02983	0.3
95.77389	0.2
113.02473	0.4
116.92892	0.4
117.92926	0.2
132.02203	0.3
133.03026	1.0
134.03769	0.3
135.04547	0.7
160.01628	1.0
161.02477	1.4
175.04013	1.3
179.03571	0.7
182.12840	0.2
193.05168	0.4
206.25734	0.2
651.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.8
60.99311	24.2
67.82609	0.9
69.68246	0.8
70.13100	0.9
70.73310	1.1
71.01386	9.1
76.54821	0.9
82.32889	1.2
85.02965	10.2
87.00889	1.4
88.98813	99.9
89.02468	2.8
95.01398	2.6
99.76948	0.9
101.02469	2.9
113.02469	14.9
117.03484	1.0
123.04558	2.2
132.02229	2.5
133.02971	42.8
134.03706	1.5
135.04533	23.9
135.05516	1.8
136.07353	0.9
153.05589	1.8
156.11841	0.8
161.02461	100.0
162.02711	1.3
179.03546	5.8
191.05681	0.9
200.25214	0.9
304.95981	1.0
315.10751	1.4
349.18747	1.6
353.91339	1.0
451.32828	1.2
461.16562	1.9
593.21204	4.2
755.24072	96.2
756.24701	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	845.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.1
60.38521	0.8
61.96496	0.8
65.00307	0.9
68.99810	0.8
69.03467	0.8
69.31545	4.3
71.01389	16.6
73.02957	5.6
75.00832	0.7
78.01107	2.1
78.55642	0.8
81.03506	0.8
83.01380	1.5
85.02943	7.6
87.00883	6.3
89.00327	2.3
89.02473	8.5
95.01387	1.9
97.02959	1.5
99.00851	1.1
101.01806	1.0
101.02450	11.4
103.27718	0.7
106.00594	3.0
109.02995	0.7
110.44784	0.7
111.00871	1.5
113.02461	9.8
121.02967	51.5
123.00891	5.5
125.02457	3.7
127.00384	1.8
133.01434	0.9
133.02982	1.6
135.04532	1.3
136.98869	1.0
137.02443	3.2
138.03235	6.8
139.00397	1.0
139.04028	2.7
139.22791	0.9
141.01868	0.9
143.03490	2.7
153.05588	44.7
154.05971	1.0
157.40846	0.7
161.02428	3.0
161.04556	2.9
163.29021	0.8
166.99858	3.3
179.05620	3.2
181.01419	3.2
182.02235	13.3
183.02943	2.4
191.01906	0.9
196.03714	4.6
196.41310	0.8
197.04565	100.0
198.04913	2.1
203.05586	2.0
211.06120	4.7
221.06664	2.9
224.03307	3.8
225.04088	1.5
239.05626	22.8
250.53610	0.8
256.97177	0.8
269.06644	6.0
299.07733	3.8
341.08521	1.3
358.43674	0.8
359.09985	1.8
365.10889	2.9
383.11746	2.3
389.07474	1.3
401.10870	9.7
431.12112	2.4
461.13138	3.0
461.23956	0.8
485.15305	1.1
503.14209	1.0
521.15021	3.6
563.16290	10.0
593.17224	2.1
623.18359	7.2
645.66168	1.0
647.20697	3.1
665.19440	1.2
845.25720	48.7
846.25885	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	845.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	97.3
61.98835	1.3
73.04084	4.2
83.02510	1.5
84.00877	1.2
92.49047	0.9
95.02510	3.1
99.01994	4.6
103.00411	18.7
103.01498	43.7
111.02051	1.8
112.05172	1.6
113.03583	2.1
113.07226	4.1
128.04626	1.0
129.10362	2.7
130.06235	5.6
138.03014	1.0
139.08769	1.1
141.10338	1.1
146.06105	2.8
151.07671	1.2
151.08742	5.9
153.06702	1.9
155.08273	2.1
158.06136	1.2
161.02402	2.3
168.11424	3.5
169.09868	2.4
170.09329	6.0
182.12987	1.4
186.05644	1.2
186.12502	3.2
203.08237	2.5
220.11186	0.9
225.13652	1.4
227.11409	1.3
237.97028	0.9
241.13351	1.5
242.09332	6.8
243.14497	1.2
259.11975	2.3
260.10428	8.9
265.16739	12.0
277.13022	3.4
283.17755	3.2
284.13760	2.2
300.16660	1.2
340.19910	2.0
390.21289	1.7
437.21408	2.1
487.22668	1.1
544.29230	5.5
603.52960	1.0
697.36816	100.0
698.37170	13.5
741.40295	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	845.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.7
61.98831	4.5
69.03442	2.3
71.01389	19.5
72.99303	2.4
73.02954	2.6
85.02945	2.4
87.00913	2.9
88.98797	2.5
89.02438	12.2
95.04994	2.4
97.02998	2.2
101.02447	12.8
109.06602	2.5
113.02467	8.8
116.92847	3.2
119.03529	4.0
124.52105	2.2
125.02466	2.4
161.04573	2.6
171.10339	11.7
179.05673	3.6
221.06712	3.0
234.99471	2.4
261.32288	2.4
268.19574	2.3
293.21265	8.2
315.27298	2.4
325.25397	4.1
334.98184	2.9
338.70569	2.5
359.25909	5.1
369.24393	5.4
387.25412	9.0
397.13599	9.3
405.26440	17.5
498.44254	2.7
757.40253	2.8
785.39734	100.0
786.40063	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	845.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.8
61.98833	2.5
62.95305	1.8
70.52335	3.0
71.01390	13.0
77.24953	1.6
81.53583	1.9
85.02959	2.3
87.00851	2.7
89.02445	7.3
90.80824	1.7
97.06595	17.2
101.02447	7.5
105.93630	1.7
113.02427	3.3
123.08170	7.5
125.02430	2.7
125.09734	94.5
133.95396	1.8
160.74760	1.9
161.04599	1.9
187.09767	63.9
188.10100	2.5
189.36475	1.9
221.06572	2.3
223.28885	1.8
277.21765	12.5
567.23279	4.1
574.21161	2.0
585.23932	4.3
845.45459	100.0
846.45923	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	845.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	22.1
61.98817	2.1
69.66301	3.3
69.66682	2.9
71.01379	15.5
73.02936	3.8
85.02938	2.4
87.00881	4.0
89.02440	13.4
97.06599	13.6
101.02432	11.6
113.02412	3.9
116.23910	1.9
123.08172	7.2
125.02448	2.7
125.09734	73.5
143.03436	2.2
161.04587	2.3
187.09769	32.2
259.94626	2.4
270.04211	2.1
272.60672	2.5
277.21756	25.3
295.81790	2.0
297.01193	2.1
330.18274	2.4
397.13733	5.1
415.14056	2.7
585.24023	3.5
845.45441	100.0
846.45984	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	846.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.24012	0.3
69.24419	0.4
71.01402	0.2
73.29499	0.1
77.91341	0.1
113.02470	0.1
132.02196	0.2
134.03741	0.6
160.01703	1.2
175.04031	1.1
193.05127	0.4
242.21420	0.1
416.47241	0.1
619.93488	0.1
684.12988	0.1
783.27277	1.6
784.26385	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	848.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
60.88528	1.2
61.98546	1.7
61.98839	15.7
62.13477	1.4
66.55634	1.3
69.69267	4.0
71.01382	4.0
85.02950	6.3
87.00883	1.5
89.02450	2.4
95.01365	2.3
105.03441	1.1
109.02984	1.3
111.69903	0.9
113.02490	7.8
117.03502	1.0
123.04533	10.2
127.45184	1.0
131.03488	3.1
132.02171	2.8
133.01944	1.6
133.02969	46.1
134.03796	5.8
135.04543	76.3
136.04892	1.5
149.02467	2.0
150.03244	9.6
151.02892	1.3
151.04034	18.3
161.02461	100.0
162.02782	1.7
176.03569	2.1
179.03511	71.1
180.03828	1.4
182.02824	1.0
191.05667	1.4
192.35066	1.1
193.05005	2.2
205.05139	1.5
228.89270	1.2
251.05785	1.3
288.15228	1.2
591.19556	2.1
597.78931	1.1
619.18158	5.1
718.24506	3.6
753.22540	36.2
785.25214	43.3
786.25592	2.5
848.27417	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	848.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.4
59.48024	1.4
59.82614	1.5
61.98844	15.1
66.38041	1.2
69.15784	5.0
69.16196	4.4
71.01404	7.4
76.81971	1.4
78.55743	1.7
85.02963	7.2
89.02460	1.7
95.01379	2.5
96.96011	4.2
105.03452	2.6
113.02470	11.6
117.03491	1.9
121.02821	2.0
123.04525	8.6
131.03500	2.8
132.02214	3.2
133.02971	52.9
134.03711	5.7
135.04546	59.8
136.04886	2.2
150.03224	5.0
151.04024	10.2
161.02461	100.0
162.02834	5.3
176.03482	1.6
179.03519	52.5
180.03807	2.5
338.56229	1.7
557.19751	3.6
718.24420	3.7
719.23145	4.0
753.22479	28.1
785.25165	34.6
848.27417	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	848.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
71.01384	4.1
73.02943	0.7
77.03997	0.3
78.41873	0.3
85.02956	4.0
87.00941	0.4
89.02438	1.6
95.01406	1.2
98.22625	0.6
101.02440	1.1
105.03474	1.0
109.02999	0.4
113.02463	6.5
115.02010	0.4
117.03499	1.4
122.27322	0.3
123.04493	0.6
131.03476	0.3
132.02174	3.1
133.02969	40.5
133.78111	0.4
134.03380	0.7
135.04529	7.3
136.04893	0.3
140.76331	0.3
149.07207	0.7
161.02457	100.0
162.02782	2.6
176.03549	2.9
179.03481	3.5
191.05644	1.4
203.08278	0.6
230.09393	0.6
232.50334	0.4
233.04610	0.3
246.98479	0.3
261.89767	0.3
451.39883	0.4
556.21576	1.3
557.22064	0.4
623.20129	0.4
718.24670	47.5
719.24982	4.2
848.26953	1.5
870.09558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
98.05025	0.4
98.22652	1.6
130.19106	0.5
208.42555	0.5
222.05980	0.4
342.36465	0.4
420.52753	0.5
526.78485	0.5
528.81525	0.5
788.41534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.5
63.05187	1.4
101.02467	2.5
195.13927	6.0
196.14644	1.9
201.15306	1.5
205.16052	1.3
223.13356	4.0
253.09270	17.8
256.13818	1.4
275.20071	6.8
293.21259	100.0
294.21765	1.8
419.97903	1.4
494.82428	1.4
529.30145	1.7
555.98419	1.4
569.42139	2.4
608.66687	1.4
799.80560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83789	0.1
66.83294	0.1
71.01370	0.2
71.40933	0.1
73.14541	0.1
74.07655	0.1
79.95745	3.5
81.33432	0.1
85.02954	0.3
94.98087	0.1
95.01406	0.1
96.96021	100.0
97.95953	0.2
98.95633	0.2
113.02490	0.2
120.03140	0.1
125.51849	0.1
133.02966	1.1
134.03287	0.1
135.04546	0.6
149.89447	0.1
157.47406	0.1
161.02475	2.5
162.02826	0.2
179.03505	0.5
312.60120	0.1
591.43408	0.1
623.20020	1.3
661.15308	0.2
702.76306	0.1
766.61560	0.1
807.41138	0.1
851.29059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
60.93286	0.4
69.77094	0.8
71.01383	7.4
73.02944	1.1
83.01379	0.9
85.02959	7.9
87.00890	1.2
89.02448	3.5
89.04017	0.4
95.01398	2.5
96.96029	1.2
97.42456	0.4
99.00842	0.5
99.04562	0.3
101.02455	2.4
105.03458	1.2
105.95699	0.4
113.02460	13.0
115.01968	0.4
117.03476	1.2
119.03524	0.6
123.04534	1.1
131.03551	2.7
132.02232	2.9
133.02969	49.7
134.03661	1.4
135.03506	0.6
135.04543	12.6
136.04915	0.5
137.27878	0.4
159.05656	3.0
161.02458	100.0
162.02795	3.0
167.03574	0.9
175.08824	0.9
177.06735	0.6
179.03517	6.0
186.99817	0.4
187.08826	1.9
191.05685	1.0
193.05092	0.5
197.04529	0.8
203.37941	0.4
231.07742	6.8
235.06133	0.9
249.08823	1.0
295.61948	0.4
393.13193	0.8
411.14194	1.1
505.91202	0.4
557.20074	1.1
689.24152	32.9
690.24249	2.0
772.92334	0.5
851.27325	30.0
852.28113	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	851.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
59.07299	0.4
59.12576	0.4
60.45260	0.4
71.01389	8.6
72.99326	0.5
73.02956	0.9
83.01388	0.8
85.02959	11.7
87.00889	1.1
89.02463	3.2
95.01395	3.7
101.02457	1.8
105.03451	0.9
107.05013	0.6
109.02962	0.4
113.02461	17.0
117.03481	1.1
123.04554	0.6
127.34844	0.4
131.03503	1.9
132.02173	3.1
133.02974	50.6
134.03812	3.1
135.04544	18.5
144.73570	0.4
146.03798	0.8
147.04532	0.6
158.03740	0.7
159.04539	1.2
161.02463	100.0
162.02835	1.8
172.05341	0.9
173.06059	1.7
174.06934	0.6
177.05505	0.5
178.02829	0.5
179.03526	12.3
179.05116	0.6
187.04082	0.8
187.07657	9.8
189.05676	0.7
190.06422	0.5
191.05682	0.8
201.05583	2.0
202.06390	10.9
203.10844	0.6
213.09193	1.0
213.51271	0.4
215.07176	0.6
216.07956	0.7
219.10327	0.9
220.07433	0.8
231.10294	11.6
249.11354	2.6
314.09460	0.4
336.60550	0.4
393.15900	0.5
411.16687	0.7
557.22351	1.5
671.25336	0.7
689.26544	8.7
833.29456	0.7
851.29834	55.3
852.30273	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	851.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.6
69.59283	1.3
71.01389	8.5
73.02955	0.6
83.01403	0.5
85.02954	12.1
87.00889	1.4
89.02451	3.1
89.03965	0.6
89.53115	0.4
95.01395	4.5
98.22579	0.7
99.00871	0.5
101.02453	2.2
105.03477	0.8
109.02913	0.5
113.02459	16.6
115.01884	0.5
117.03472	1.3
119.03497	0.5
123.04545	0.5
123.24593	0.4
131.03522	3.1
132.02182	3.8
133.02968	54.7
134.03773	3.4
135.04539	20.8
146.03775	1.0
147.04536	0.8
154.48347	0.5
159.04529	2.5
160.01660	0.8
161.02458	100.0
162.02969	1.7
173.06108	1.0
174.03259	1.1
174.06848	1.1
175.04050	0.9
176.04823	1.3
178.02713	0.8
179.03503	15.6
187.04018	5.0
187.07663	1.0
188.04810	1.1
188.61560	0.4
191.05695	0.8
191.10814	0.5
193.05057	0.7
201.05690	0.4
202.06294	1.8
203.10800	3.1
204.94679	0.4
213.09259	1.2
216.07933	4.4
219.10329	0.5
231.10260	17.1
232.10703	0.6
249.11200	2.2
296.18488	0.4
340.42438	0.5
393.15485	0.5
411.16663	0.5
557.22418	1.3
601.20740	0.5
619.18976	1.1
639.86206	0.4
689.26617	9.5
690.27063	0.9
719.25513	0.7
753.90161	0.5
754.23895	0.8
833.28943	0.5
851.29834	62.4
852.30573	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	853.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00142	0.1
69.20329	0.8
71.01382	0.3
75.94625	0.1
79.95747	3.5
80.35783	0.1
85.02943	0.3
88.18430	0.1
94.98113	0.2
96.96022	100.0
97.95971	0.2
98.95610	0.6
98.96476	0.2
113.02460	0.5
120.36015	0.1
123.04542	0.2
133.02989	1.5
135.04541	1.2
161.02451	3.9
162.02818	0.4
179.03552	0.9
209.01312	0.4
251.02388	0.3
353.05594	0.2
353.78973	0.1
450.64224	0.1
491.05777	0.2
499.11441	0.2
524.57324	0.2
603.03833	0.1
623.20441	0.2
718.92511	0.1
755.24280	2.0
793.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.72038	0.3
89.46980	0.3
109.82650	0.3
113.02508	0.3
114.04284	0.3
115.77764	0.3
130.21342	0.3
133.02989	0.4
133.97836	0.2
140.49057	0.3
142.20244	0.3
161.02501	0.6
367.22379	0.3
761.34790	0.3
790.43634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03877	6.9
69.04278	2.3
70.44422	1.1
70.55330	1.0
71.01382	13.9
74.35165	0.9
85.02962	19.7
87.00875	2.6
89.02438	4.0
95.01389	7.4
100.30914	1.0
101.02460	2.3
105.03458	1.2
113.02460	28.2
116.04013	0.9
116.38423	1.1
129.55878	1.0
131.03502	4.4
132.02193	3.0
133.02972	53.4
133.32907	1.0
134.03694	3.4
135.04535	37.1
145.06526	1.1
148.04051	1.3
149.04781	3.9
149.14874	1.0
160.04002	2.9
161.02461	100.0
162.02838	2.4
173.06036	2.6
179.03505	24.5
181.05132	1.2
188.07149	2.0
189.05595	2.9
190.08774	13.2
191.05650	2.7
216.06679	24.5
234.07681	3.3
262.40594	1.1
292.37332	1.2
396.12570	1.3
542.18848	2.4
674.23108	5.0
692.24146	15.4
721.21301	1.1
808.61230	1.2
836.26288	51.6
837.26270	3.9
854.27283	33.9
855.27563	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	854.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28075	3.3
69.28485	1.2
71.01388	8.3
73.02966	1.3
73.77747	0.6
81.34151	0.7
84.03899	0.9
84.95127	1.4
85.02956	9.7
87.00893	1.3
87.35292	0.6
88.70554	0.7
89.02466	2.8
90.67722	0.6
91.12947	0.7
95.01384	1.9
96.96011	1.3
101.02457	1.7
105.03435	1.6
109.02965	0.9
113.02451	11.9
117.03455	2.0
123.04535	1.9
131.03499	3.0
132.02180	6.8
133.02969	46.4
134.03807	8.4
135.04535	29.5
135.06133	0.9
136.04883	1.1
143.26877	0.8
148.04042	3.5
149.04700	0.7
149.06137	0.9
153.05626	1.6
157.47816	0.7
160.01666	9.8
161.02460	100.0
162.02776	3.6
163.04042	0.7
175.03990	7.7
178.02699	1.1
179.03516	25.2
180.03812	1.1
180.06631	0.9
191.05583	1.7
193.05099	4.8
225.31880	0.7
233.04558	0.7
233.07138	0.8
513.27850	0.8
531.29565	0.8
533.31738	0.8
617.47064	0.8
623.20184	1.1
680.22876	1.3
692.27661	2.0
782.25671	1.1
783.26007	1.6
810.23853	1.4
811.26672	8.3
846.11700	1.0
854.30902	50.6
855.30914	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	855.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97707	1.9
69.25797	8.1
70.88374	1.9
71.01382	11.7
73.02935	2.5
83.01395	2.1
85.02956	9.9
87.00876	1.8
89.02456	4.7
89.03957	2.4
98.22610	3.9
101.02438	4.4
108.56094	1.9
113.02445	7.8
117.03491	3.6
123.04527	5.7
131.03546	4.4
132.02194	13.9
133.02969	46.4
134.03755	29.8
135.04546	28.1
149.04492	2.1
149.06137	3.0
153.05577	8.8
160.01669	48.7
161.02463	100.0
162.02789	3.1
175.04015	33.2
179.03485	12.3
193.05113	15.9
239.84647	2.0
332.23175	2.0
617.21484	2.4
624.19940	3.0
635.21973	8.9
679.22174	3.2
769.24969	2.7
811.26746	87.7
812.26880	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74712	0.5
69.32362	2.9
71.01385	5.5
73.02955	1.7
83.01373	0.9
84.95139	1.4
85.02943	3.8
87.00906	1.1
87.47140	0.6
89.02464	2.5
95.01405	0.8
96.95991	0.6
101.02457	2.2
109.02991	0.8
113.02464	5.0
115.01896	0.6
117.03465	0.8
125.02473	0.6
131.03543	1.3
132.02211	3.8
133.02971	43.1
134.03822	4.1
135.04538	14.1
136.99251	0.6
137.06009	0.5
146.87900	0.6
149.06082	0.8
160.01653	2.2
161.02460	100.0
162.02762	3.0
164.63708	0.6
175.03995	2.3
179.02066	0.8
179.03517	7.2
187.91000	0.5
191.05623	0.8
193.05176	1.3
517.74255	0.6
613.58960	0.6
649.23584	1.9
767.37988	0.7
788.48193	1.2
789.48657	1.3
811.26740	35.6
812.26941	2.3
829.68243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.1
62.54187	0.3
69.26961	0.6
69.27366	1.2
71.01389	7.5
72.99291	0.5
73.02938	0.7
83.01407	0.7
85.02953	8.0
87.00886	0.9
87.98730	0.3
89.02478	2.7
89.03908	0.4
91.05518	0.3
95.01398	2.7
98.22652	0.5
98.66359	0.3
101.02452	2.1
105.03487	0.9
107.05012	0.4
108.02176	1.1
109.02995	0.7
113.02457	14.2
117.03463	1.3
119.03525	0.6
123.04538	2.1
131.03537	1.9
132.02199	3.0
133.02968	43.7
134.03851	2.1
135.04536	24.7
136.04895	0.9
152.01172	2.0
153.05583	2.3
160.01694	0.7
161.02457	100.0
162.02748	2.3
175.04073	0.6
179.03493	6.0
191.05733	0.4
193.05200	0.4
201.11397	0.5
209.11787	0.6
244.35852	0.3
297.09857	0.6
315.10931	1.9
417.10382	1.5
461.16592	3.4
485.09546	1.1
556.82123	0.4
593.20813	4.3
617.21216	0.7
661.20093	0.6
670.76678	0.4
755.24066	37.5
756.24091	2.1
779.24280	1.3
823.23236	9.5
824.23639	0.8
855.25793	6.2
856.25647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82209	0.5
66.40970	0.4
69.03447	0.6
69.39195	2.4
71.01381	9.5
72.99278	0.6
73.02943	2.3
81.03421	0.4
83.01390	0.7
84.95122	0.8
85.02956	5.4
87.00867	2.1
88.68120	0.4
89.02453	7.0
89.03954	0.5
97.02953	1.2
99.00919	0.6
101.02439	5.3
109.03002	0.7
113.02465	6.4
117.03504	2.3
119.03518	2.0
119.05011	0.6
122.03711	0.6
125.02458	3.4
127.04029	0.7
131.03548	0.8
132.02185	26.9
133.02948	1.8
134.03755	32.1
135.04460	1.6
137.06096	0.6
145.02962	1.0
149.06055	3.1
152.04802	1.5
160.01671	85.1
161.02419	4.0
161.04590	1.9
167.07147	1.8
175.04013	100.0
176.04332	2.9
178.02747	1.9
179.05624	1.1
193.05074	23.9
194.05603	0.6
223.06224	0.5
224.51207	0.5
341.85953	0.5
473.16812	0.7
491.17719	2.4
499.15359	0.5
601.21448	0.9
619.22607	6.0
637.23395	3.8
661.23590	2.0
667.22314	1.0
679.24713	6.7
680.24823	0.5
795.27625	1.5
811.26807	2.3
812.27368	0.5
813.28210	4.4
814.27496	0.6
855.29297	21.4
856.29425	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	855.293
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.1
73.02960	2.8
83.01408	0.8
85.02962	4.8
87.00891	1.3
89.02443	6.7
89.03957	1.2
95.01399	1.7
97.02954	1.7
99.00874	0.7
101.02455	5.5
104.81379	0.6
112.46494	0.7
113.02460	7.0
117.03471	2.2
119.03506	2.4
119.73965	0.7
121.44676	0.6
125.02451	3.5
129.33229	0.6
131.03506	0.6
132.02190	24.1
133.03021	3.2
134.03764	32.2
135.04515	1.5
147.45143	0.6
149.06079	2.9
152.04825	1.9
159.93904	0.6
160.01674	78.9
161.02438	5.2
161.04549	1.9
162.02820	1.7
163.03062	0.6
167.07132	1.3
175.04019	100.0
176.04404	2.9
178.02756	3.0
179.05637	1.1
193.05084	23.9
200.06387	0.7
221.06625	0.9
229.43536	0.7
297.32462	0.6
304.76923	0.7
426.83789	0.6
473.16772	1.0
482.46304	0.6
491.17618	2.1
493.25995	0.7
522.20691	0.7
601.21417	1.2
619.22467	4.9
636.28485	0.6
637.23712	3.6
637.96759	0.7
661.23309	2.3
679.24213	6.2
680.24860	1.1
795.26794	1.5
799.25092	0.9
813.28406	4.0
814.28137	0.7
855.29468	27.2
856.29761	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	855.328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68165	6.0
71.01389	22.8
71.04993	1.6
73.02943	6.1
83.01411	3.2
85.02956	14.5
89.02442	3.3
95.01376	3.3
98.22652	3.6
101.02442	4.9
113.02455	26.1
115.00372	1.9
141.01746	10.5
161.02431	4.7
166.99609	6.3
179.03487	2.5
180.04056	2.0
183.02757	2.9
217.91826	1.8
243.04922	1.8
301.21707	11.9
317.73505	1.8
319.22742	32.9
319.26468	2.2
325.17853	5.1
341.20975	97.8
342.21182	4.8
359.22086	7.1
383.22360	8.1
401.22971	16.3
403.20218	1.7
413.23093	7.8
433.20874	3.3
443.24063	3.6
455.23764	2.8
458.99533	1.8
481.28110	28.5
503.26459	16.7
521.27344	100.0
522.27283	3.8
541.30084	4.4
563.28333	84.5
564.28833	4.8
565.26202	14.0
577.29431	4.1
605.29486	10.7
607.27753	2.7
827.21106	1.8
884.73883	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	856.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.93157	0.2
71.01414	0.3
85.02988	0.5
98.22640	0.6
120.08251	0.3
122.06121	0.9
150.78357	0.2
150.87366	0.2
161.02461	0.4
208.08388	0.3
217.80833	0.3
251.11885	0.3
291.11526	0.4
292.12350	0.4
293.13165	0.4
319.10840	0.3
372.17526	0.3
418.17874	0.3
426.14264	0.3
473.20044	0.4
508.21405	0.5
513.24866	0.3
537.25531	0.3
581.24329	0.6
595.26617	0.3
599.25806	0.3
613.26752	9.0
614.27197	0.6
615.06189	0.3
631.27759	7.4
631.37653	0.4
632.28687	0.7
655.28241	0.8
673.29437	0.7
793.32922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	6.6
64.79392	3.8
65.13710	3.8
65.91922	4.0
67.18423	4.0
69.08752	14.2
69.09181	16.3
69.39217	4.0
71.01406	4.3
89.02432	4.7
99.92597	12.4
116.92867	100.0
117.92928	5.1
135.75000	4.9
171.06201	4.4
182.69939	4.8
199.13420	17.4
277.21735	13.7
323.73920	5.2
397.13443	10.9
764.30780	4.7
813.60065	5.1
825.96753	5.4
857.48816	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	858.247
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	0.3
69.16299	1.3
71.01395	2.2
77.96834	0.2
85.02959	3.3
87.00903	0.4
88.98813	1.8
89.02454	0.6
89.03969	0.3
91.05521	0.5
94.05135	0.2
95.01386	1.0
96.88860	0.2
98.21784	0.4
101.02452	0.2
105.03470	0.3
107.05025	1.0
108.02155	0.2
109.02959	0.3
113.02460	3.0
117.03489	0.6
117.36568	0.2
131.03488	0.7
132.02211	0.8
133.02971	13.5
134.03775	2.9
135.04539	66.2
136.04890	1.3
159.90462	0.2
160.01645	0.3
161.02464	20.9
162.02803	0.7
162.20868	0.2
166.06706	0.2
175.04030	0.4
179.03513	100.0
180.03845	3.2
189.05382	0.2
191.05579	0.4
192.88176	0.2
193.05060	0.3
203.03545	0.5
210.05537	1.3
217.04962	0.3
220.98511	0.2
233.04489	0.4
238.05093	4.2
245.04562	0.6
251.05634	0.3
255.25464	0.2
323.07755	0.4
335.94370	0.2
475.14606	0.4
619.18817	3.6
620.18951	0.3
644.98657	0.2
834.20068	0.3
858.24646	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	858.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	7.6
71.22362	0.7
72.99297	2.0
73.02938	0.7
75.28705	0.6
84.27481	0.7
85.02958	11.2
87.00887	1.4
89.02470	1.9
89.13647	0.6
95.01398	4.6
101.02493	0.8
105.03456	1.0
109.02956	0.8
113.02466	15.6
117.03479	1.8
126.97713	0.6
127.81113	0.7
131.03517	3.2
132.02167	4.0
133.02977	52.3
134.03708	2.9
135.03499	1.3
135.04547	36.8
161.02464	100.0
162.02838	2.0
175.03981	1.6
177.05614	0.9
179.03516	42.4
180.03844	0.8
191.05664	1.0
210.05663	2.6
238.05144	12.9
238.38818	0.7
251.05495	0.8
256.06082	1.7
375.43524	0.7
499.34314	0.7
644.92786	0.8
696.21338	3.7
712.16620	0.9
784.27386	1.6
858.24615	48.0
859.24982	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	859.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.9
61.98822	0.3
69.32969	1.4
71.01376	0.8
77.46998	0.2
85.02957	0.5
88.98812	100.0
89.99159	0.6
95.01396	0.4
98.22670	0.6
101.02457	0.3
113.02438	1.2
121.85461	0.3
123.04475	0.3
131.03508	0.3
132.02197	1.0
133.02966	0.7
134.03740	1.6
135.04509	1.8
153.05585	0.7
160.01666	2.9
161.02470	1.6
175.04045	3.2
193.05009	1.6
240.13277	0.3
461.16754	0.5
491.93600	0.3
593.21362	0.6
637.21564	0.3
769.25592	13.2
770.25757	1.4
785.41144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	20.2
65.24780	0.4
71.01385	6.5
72.99303	0.5
73.01020	0.4
79.95734	2.7
83.01408	0.5
85.02946	2.4
87.00892	0.8
88.98813	100.0
89.02453	6.0
89.99193	0.8
90.44922	0.4
91.72701	0.4
95.01394	1.3
98.22752	0.7
99.04551	0.8
101.02464	2.3
110.28131	0.5
113.02459	6.1
119.03522	2.4
131.03545	1.2
132.02158	0.6
133.02975	14.0
134.03764	1.4
135.04547	4.3
143.03497	0.8
149.06158	0.6
156.00436	0.5
157.06604	3.3
160.01633	0.8
161.02458	35.6
161.13374	1.5
162.02748	0.8
179.03529	2.9
179.05609	3.5
193.05063	0.6
205.12399	4.8
221.02789	28.7
222.03119	1.2
249.11275	5.5
385.18820	1.1
398.72516	0.5
429.17596	7.3
769.25574	30.9
770.25964	4.7
770.94904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22942	0.8
60.99304	1.4
69.03444	0.9
69.53954	3.3
71.01391	9.9
72.99320	1.4
73.02950	2.5
81.89588	0.7
83.01401	0.9
85.02953	6.1
87.00874	0.9
88.98808	6.4
89.02473	4.3
95.01388	1.2
99.00854	2.0
101.02429	4.0
106.08739	0.8
108.02180	59.3
109.02978	17.3
113.02450	3.7
119.05048	0.9
123.04538	1.1
129.54474	0.7
133.02898	1.2
134.03712	2.0
135.04535	3.0
140.91631	0.9
151.04027	2.0
152.01164	100.0
153.01962	5.0
160.10043	0.8
161.02455	2.3
161.04590	2.8
161.13396	1.8
163.04053	7.1
175.04005	0.7
177.01950	1.1
179.03526	2.8
193.05139	0.9
193.98242	0.8
205.12364	2.0
210.71878	0.7
271.08289	1.7
315.07263	1.7
324.58029	0.9
339.76572	0.7
429.10379	6.1
447.11462	22.7
598.16559	0.8
608.04034	0.8
635.23132	1.5
679.22565	4.9
697.22083	0.9
758.44305	0.9
859.28827	69.7
860.29022	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	859.331
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81602	0.4
69.41575	0.4
73.07238	0.4
79.63725	0.4
92.33080	0.5
99.53547	0.5
99.91991	0.8
99.92603	12.0
116.92873	100.0
117.01923	0.4
117.92908	2.6
133.02992	0.9
135.04541	0.7
140.21918	0.4
161.02415	1.1
179.03578	0.4
185.73607	0.4
211.04980	0.5
254.27435	0.5
261.05557	0.5
272.19247	0.5
559.67346	0.5
659.19647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03477	2.0
70.02975	0.5
71.02509	4.1
73.04076	8.8
74.02480	0.8
82.06637	1.1
83.02520	2.7
84.00909	3.2
85.04076	1.1
87.87223	0.4
91.05563	0.8
93.03463	2.2
95.02521	6.6
97.00505	0.5
97.04095	0.6
98.21894	2.1
99.02016	18.8
99.02666	1.2
99.05640	1.7
100.02339	0.6
107.05019	1.0
108.03290	0.8
108.08162	0.6
109.04137	0.6
110.01242	0.9
111.02039	6.3
111.05648	0.9
112.05186	4.0
113.03590	4.7
113.07226	9.1
114.05592	1.3
116.05062	1.7
118.06636	0.6
119.05042	23.7
121.04105	1.0
123.05667	1.1
124.05168	0.7
125.03596	2.9
127.05155	0.8
128.04639	2.5
129.10329	1.0
130.06236	10.3
132.04549	0.6
134.06081	1.2
135.05655	1.0
136.20143	0.5
137.03551	0.8
139.05164	5.1
139.08751	1.4
140.04678	0.5
140.07162	2.5
141.06683	0.6
141.10327	1.4
142.06572	0.5
144.74564	0.5
146.04967	0.6
146.06143	10.3
147.05991	1.3
148.07619	0.7
150.03148	0.5
150.05629	0.9
151.05188	0.6
151.08817	1.2
152.05940	1.4
152.07191	1.7
153.06693	1.1
155.08284	0.9
156.04155	3.5
156.07784	1.5
158.06093	2.0
160.07681	1.7
161.07205	0.7
162.05615	1.9
163.08757	1.9
165.06683	1.4
166.06186	1.0
167.04642	1.2
169.04468	2.3
169.09810	3.8
170.09306	1.4
173.03900	4.3
173.07149	0.7
174.05687	0.7
175.08821	1.4
178.06253	0.7
179.08266	2.7
181.09775	0.9
182.05739	0.9
183.06506	0.9
184.07652	1.1
185.07214	7.0
186.05634	10.1
187.05510	1.4
187.08687	0.5
189.06744	1.1
192.11436	0.6
193.09827	1.7
195.08949	0.9
196.10934	4.9
199.08771	1.9
201.06763	1.2
202.05052	0.8
203.08209	5.3
204.08115	1.2
207.11545	0.9
209.12978	15.8
210.12398	2.4
213.10030	0.9
216.11392	3.7
219.07834	2.4
220.10913	2.0
225.06448	2.1
227.08488	1.6
230.06059	1.1
232.14745	0.9
236.10411	4.4
239.07973	0.8
240.08675	1.2
241.09683	0.5
243.09338	1.1
244.11258	8.4
255.14990	1.6
259.12000	1.0
260.10422	1.5
261.10239	1.3
266.15125	1.1
272.17850	0.6
276.06882	0.5
277.13184	0.8
283.12366	0.9
287.08319	0.7
288.17282	0.6
298.15579	0.7
299.14032	1.3
301.13361	2.0
306.18231	0.9
316.16544	1.3
340.14606	1.2
341.16541	1.2
358.15564	3.1
363.20517	0.6
383.17004	0.7
398.18771	0.7
420.22537	0.5
464.19861	2.6
467.26514	0.9
520.31207	0.6
528.95831	0.5
551.26624	2.0
566.30969	0.6
567.29291	1.1
568.29150	0.6
584.32355	5.0
585.32239	0.9
641.31134	0.7
650.32703	2.8
651.25848	0.9
657.30823	1.5
658.33887	1.7
708.32654	1.1
714.32623	0.7
741.33929	0.7
755.35675	6.0
813.39709	1.0
843.39014	1.4
861.39795	100.0
862.40002	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	861.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	5.3
65.97752	1.3
73.04063	2.1
84.00906	4.4
85.78857	1.3
95.02517	1.9
98.22670	4.3
99.01981	6.3
99.92609	1.7
110.03689	1.5
111.01965	2.1
113.03580	2.2
113.07223	11.6
114.05622	1.2
116.92870	16.5
117.67027	1.2
117.92905	7.4
118.92683	5.6
119.05067	7.4
119.94712	3.4
130.06201	1.2
135.05678	2.3
146.06140	4.8
149.46892	1.2
152.08234	1.6
153.06718	19.1
155.08334	1.6
160.07687	1.2
162.05608	5.6
169.09781	1.3
170.09357	16.3
179.08224	1.6
186.05624	4.8
188.59354	1.2
203.08229	5.7
209.10455	2.9
210.08841	4.1
212.10367	1.9
222.16249	2.9
223.73502	1.3
226.15550	4.4
227.11543	3.6
242.09236	3.0
243.07742	2.1
256.70389	1.5
260.10309	3.9
265.16638	2.5
276.13535	4.7
283.17722	4.6
299.15128	2.6
339.14294	2.0
340.20084	1.7
362.22049	1.8
380.19223	1.7
423.20563	1.4
500.79480	1.4
527.26691	1.7
691.70013	1.4
758.22717	1.4
787.37933	100.0
788.37958	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	862.263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01387	0.5
78.91899	1.0
80.91716	0.3
85.02975	0.7
95.01382	0.2
101.02486	0.3
107.12709	0.2
111.04999	0.2
113.02491	1.0
116.99519	0.2
118.82130	0.2
123.05273	0.2
125.17149	0.2
132.02216	0.8
133.02927	1.4
134.03767	0.9
135.04552	1.0
136.45605	0.2
139.21503	0.2
160.01680	3.3
161.02452	1.9
166.26563	0.2
175.04008	3.9
179.03555	0.9
182.09352	0.2
193.05124	0.5
651.22974	8.7
651.33661	0.5
652.23199	0.4
673.20856	0.5
781.41339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.89160	0.5
66.38080	0.5
67.55074	0.6
70.86619	0.9
71.01390	3.9
71.34560	0.5
85.02957	3.5
87.00868	1.0
87.72746	0.5
89.02451	3.2
89.03999	0.6
97.02977	1.0
101.02496	1.1
101.88116	0.5
109.02972	0.6
113.02470	4.8
117.03503	2.4
121.02991	0.8
123.04541	4.6
126.05659	0.6
126.27597	0.5
131.03549	2.8
132.02173	3.6
133.02960	4.2
134.03757	27.6
135.04559	3.2
136.04857	0.7
137.02507	1.0
149.02475	2.9
149.04599	2.2
149.06059	3.5
150.03232	9.5
151.04015	9.9
160.01668	13.4
161.02472	8.7
161.04579	0.7
162.02844	0.9
163.04034	1.3
175.04022	13.6
176.04428	1.0
178.02715	4.3
179.03545	2.2
191.05687	2.3
193.05072	45.6
194.05463	1.1
200.06575	0.6
204.03362	0.5
233.06769	2.4
241.06036	0.5
259.06177	0.7
265.07266	0.8
316.95911	0.6
337.09317	0.9
359.87610	0.6
489.16431	2.4
543.17920	0.9
591.19415	1.7
635.20367	0.8
767.24097	29.7
768.23682	2.7
799.26605	6.7
800.27612	0.7
862.27228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25369	3.9
69.03471	3.3
70.46972	7.1
71.01389	56.1
73.02939	8.9
75.00888	3.0
85.02948	18.8
87.00882	17.1
89.02454	62.9
95.01399	6.4
95.31823	2.7
97.38453	2.9
98.22125	5.3
101.02454	50.8
104.41408	2.8
113.01733	4.0
113.02461	39.7
119.03514	16.0
125.02457	9.3
143.03474	9.7
149.04536	3.3
161.04596	15.3
179.05615	34.9
195.05104	6.0
203.05556	3.6
221.06671	17.3
283.70657	2.8
333.49356	2.8
341.10767	6.8
365.10785	7.2
383.11975	35.7
443.14267	4.2
503.16187	7.4
545.17426	28.8
647.19733	3.7
716.71570	3.1
827.26788	100.0
828.27197	9.7
863.23920	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	863.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.6
70.01182	1.1
71.01386	3.8
73.02946	0.7
84.96339	0.6
85.02958	4.5
89.02445	1.7
95.01392	1.4
101.02454	1.5
105.03461	0.8
107.05049	0.5
113.02449	6.1
115.01932	0.5
117.03518	2.5
123.04591	0.9
132.02148	2.4
133.02975	43.5
134.03809	2.2
135.04546	8.7
139.11122	0.4
145.30164	0.5
161.02461	100.0
162.02774	1.9
179.03510	4.3
191.05652	0.5
193.05110	1.2
206.34654	0.5
361.07690	0.5
571.21503	2.2
716.26135	0.5
733.24670	48.7
734.24567	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	865.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	5.8
73.02944	0.9
77.03976	0.5
83.01395	0.6
84.13802	0.2
85.02954	5.8
87.00883	1.2
89.02454	1.9
89.03964	0.4
95.01392	1.6
95.05014	0.3
96.96034	0.5
99.21587	0.2
101.02432	1.4
103.04014	0.3
105.03461	1.3
107.05019	0.5
109.02973	0.4
113.02458	7.5
114.02773	0.3
115.01894	0.3
117.03476	1.9
123.04495	0.7
131.03546	1.9
132.02185	3.9
133.02969	53.4
134.03810	2.3
135.03496	0.5
135.04546	13.2
161.02458	100.0
162.02815	2.5
165.09131	0.2
168.50078	0.2
168.98158	0.3
179.03510	5.6
186.05609	0.5
187.09789	0.3
191.05679	0.6
193.05049	0.4
230.07018	0.7
245.09389	0.4
251.62747	0.3
297.52301	0.2
348.52457	0.3
425.15656	0.5
535.74054	0.3
571.21454	0.3
577.00653	0.3
623.42590	0.3
703.25818	2.0
865.28912	31.8
866.29327	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13236	0.5
65.43967	0.5
65.79118	0.5
66.60799	0.5
69.03463	0.8
70.85548	0.5
71.01385	18.4
72.99309	4.0
73.02947	4.0
74.78239	0.6
75.00864	0.6
81.03458	0.8
83.01387	1.2
85.02954	25.3
86.00093	1.0
86.68644	0.6
87.00878	3.2
87.58728	0.6
89.02446	6.1
89.03973	1.4
95.01392	4.9
96.45351	0.7
97.06593	0.8
98.22706	1.2
99.00920	1.2
101.02457	3.2
113.02464	29.2
117.03451	4.1
121.02962	0.8
127.04027	0.8
130.04237	0.7
131.03526	6.5
132.02179	19.2
132.03169	0.9
133.02991	5.5
134.03749	56.5
135.04578	3.9
137.02432	0.7
143.03542	1.0
145.05052	0.8
146.03749	1.5
147.04497	1.9
149.04523	1.1
149.06107	4.9
159.04546	3.1
160.01671	71.3
161.02463	14.1
161.04500	1.1
161.06122	0.9
172.05318	2.4
173.06137	4.0
174.03177	0.6
174.06866	0.8
175.04008	42.2
176.04419	1.2
178.02754	4.2
179.03493	2.3
187.04042	2.6
187.07651	18.8
188.08112	0.7
189.05458	0.8
190.06343	2.1
191.05591	2.4
191.10709	0.8
193.05069	36.4
201.05566	6.7
201.09224	0.7
202.06364	23.7
203.06990	0.8
203.10793	0.7
216.07942	1.3
219.10258	3.0
220.07423	2.2
230.09305	0.8
231.10260	16.2
245.11769	0.6
249.11299	14.0
305.73331	0.6
361.33835	0.6
393.15475	0.9
411.16611	0.8
439.14914	0.8
557.22266	2.7
634.83685	0.7
671.25739	1.9
689.26593	14.1
690.26251	0.9
695.04022	0.7
727.98572	0.7
733.26953	3.0
865.31366	100.0
866.31989	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	865.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59375	0.8
64.64816	0.9
69.03477	1.2
69.05659	5.5
71.01390	17.2
72.99324	4.8
73.02938	3.2
75.00855	1.1
81.03464	1.2
83.01368	1.6
83.05021	1.3
85.02962	26.0
87.00893	4.8
89.02468	7.6
89.03970	1.4
95.01389	5.7
97.06625	1.0
99.00912	1.2
101.02460	5.7
113.02461	30.1
115.00374	2.9
117.03468	3.5
119.03465	1.3
121.02995	1.0
123.04549	1.6
125.02403	1.2
131.03513	7.8
132.02184	19.1
133.01430	5.2
133.02933	5.0
134.03757	57.1
135.04503	3.9
137.02402	1.0
143.03499	1.3
146.03748	1.3
147.04570	2.2
148.05379	1.0
149.04648	1.7
149.06079	5.3
159.04509	2.4
160.01672	68.5
161.02463	15.4
161.04541	2.0
161.06017	1.1
172.05350	2.1
173.06046	3.8
174.06813	1.1
175.04012	45.2
175.07458	1.6
178.02725	4.1
179.03476	3.5
187.04047	2.7
187.07664	16.5
190.06346	1.0
191.05603	2.4
193.05067	40.1
199.64447	0.9
201.05582	6.1
201.09251	1.2
202.06377	20.8
204.07744	0.9
213.09163	1.3
216.07837	1.5
217.42645	0.9
219.10251	3.5
220.07428	2.3
230.09377	1.5
231.10269	15.7
249.11354	11.2
261.14935	1.2
265.06964	0.9
295.31219	0.9
310.31647	0.8
351.21909	1.5
369.22757	1.7
379.17578	3.2
404.53271	1.0
411.16425	1.1
512.87689	1.1
541.30170	2.3
542.30573	1.8
543.30835	1.8
557.22638	2.3
671.25989	1.6
689.26587	10.6
733.27063	2.7
865.31390	100.0
866.31451	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	865.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22871	1.3
69.03465	4.8
71.01391	17.9
71.05023	3.0
71.42403	1.3
72.99340	1.6
73.02958	3.9
78.09320	1.1
83.01387	1.6
83.05041	3.5
85.02955	16.3
87.00909	3.7
89.02446	13.8
89.03949	1.3
95.01408	4.6
95.05019	1.3
96.95983	1.6
97.02966	3.1
97.06596	3.0
99.00890	9.5
101.02459	7.4
109.06618	1.3
110.17194	1.2
113.02459	20.2
113.03178	1.9
115.00392	3.8
115.01201	1.2
115.99585	1.1
117.03495	5.3
119.03500	1.7
125.02557	1.2
125.09768	4.2
131.03557	4.3
132.02202	10.0
133.01456	2.3
133.02991	5.0
134.03755	71.9
135.04544	4.7
137.02414	1.9
143.03488	1.3
146.03787	1.3
149.04587	4.5
149.06091	9.0
151.11296	1.2
159.04550	2.3
160.01672	39.1
161.02480	13.9
161.04546	1.6
163.11331	5.2
175.04031	24.7
175.05504	1.9
176.04767	1.5
178.02748	10.6
179.03543	3.4
179.10846	2.0
181.12375	10.1
182.51978	1.4
187.04088	3.9
187.07738	1.8
188.05002	1.4
191.05710	3.4
193.05077	100.0
194.05309	1.2
197.11850	18.5
199.13503	5.3
201.09297	1.8
202.06441	2.2
203.10890	2.9
207.10283	14.4
216.07950	2.2
221.06865	2.1
221.11880	1.6
225.11348	25.4
231.10295	13.0
233.06732	4.2
241.10941	1.4
243.12416	12.3
249.11476	5.0
277.09335	1.8
295.10339	1.4
317.17661	1.3
361.16666	1.9
379.17783	5.5
399.80392	1.3
489.16226	4.0
492.02863	1.2
648.40649	1.4
689.26990	4.9
767.24536	2.8
865.35431	67.2
866.36017	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	865.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.4
62.78505	0.7
71.01385	7.1
83.01397	2.4
85.02961	8.8
87.00887	0.9
89.02472	3.1
93.88982	0.7
95.01404	2.2
98.13036	0.7
101.02446	1.7
108.02187	1.8
111.00874	3.7
113.02460	10.9
117.03507	1.9
121.02955	0.9
123.00863	1.3
123.04544	2.8
129.01947	4.2
131.03535	1.7
132.02197	3.9
133.02969	38.2
134.03766	3.9
134.15352	0.7
135.03529	1.0
135.04536	15.6
149.06042	0.9
160.01666	10.0
161.02461	100.0
162.02808	1.4
167.03513	5.7
175.04010	13.2
176.04547	0.9
179.03522	8.1
180.03954	1.1
192.04382	0.9
193.05109	1.8
197.04558	2.1
207.06615	1.5
215.07149	0.8
228.32759	0.7
233.04588	0.7
233.08182	1.1
235.06114	2.0
261.04169	1.1
261.07700	0.7
279.05212	4.0
280.08835	0.7
289.22824	0.7
305.06488	1.3
383.11438	2.3
552.52246	0.9
583.92084	0.8
650.65204	0.8
789.23114	0.8
865.32538	40.9
866.30865	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	865.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	8.3
66.91978	4.9
67.02339	5.7
69.14919	31.3
71.01385	91.9
73.02955	42.4
74.87096	5.9
80.66936	5.6
83.01385	8.0
85.02953	66.2
86.48237	4.8
89.02453	14.6
95.01385	8.0
99.00886	11.4
101.02452	71.7
113.02452	44.7
119.03527	5.4
123.08183	23.5
124.03101	6.3
135.04535	10.2
137.09747	6.5
142.72137	5.2
143.10825	7.1
161.02487	10.9
161.04567	32.7
163.11302	14.9
179.03543	11.4
189.12871	37.6
191.01965	5.9
198.20898	5.7
203.05696	12.7
207.13927	38.1
225.14894	9.6
287.15204	11.1
305.16129	71.9
345.43680	6.8
347.17075	100.0
387.20303	22.0
429.21350	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	5.5
71.01390	22.7
71.05045	3.1
73.02965	3.4
83.01431	2.9
83.05054	1.8
85.02960	17.4
87.00883	5.0
89.02454	15.3
95.01418	2.9
95.05059	1.9
97.02975	7.0
97.06633	3.8
99.00901	16.1
101.02442	10.0
108.52193	1.9
113.02456	14.8
117.03498	5.6
119.03505	1.9
125.09753	8.2
131.03584	5.0
132.02199	8.1
133.02982	3.7
134.03758	65.5
135.04549	4.0
137.02417	2.0
143.03545	2.6
149.04616	4.8
149.06145	6.1
160.01688	22.2
161.02501	9.4
161.04599	2.0
161.09842	2.3
163.11336	9.2
172.82109	1.6
175.04007	17.1
178.02725	8.4
179.03592	2.5
179.10779	3.8
181.12360	12.6
191.05629	3.1
193.05070	87.6
195.65025	1.6
197.11847	41.1
199.13414	6.0
207.10287	19.4
209.11848	2.3
217.50302	1.6
221.06918	1.9
225.11357	30.7
231.10428	6.9
233.06784	4.2
241.10861	3.9
243.12421	13.4
249.11424	2.0
277.09207	2.6
303.47888	1.8
318.20856	1.8
382.03958	1.8
462.49100	1.7
489.16440	2.0
689.26599	2.5
805.66724	1.9
865.37219	100.0
866.37250	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	865.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	12.2
73.09796	9.1
85.02896	11.0
89.02441	31.2
90.97257	8.4
101.02443	17.8
115.36700	7.6
145.25703	9.9
171.03674	8.6
171.10297	100.0
209.11786	7.9
233.95612	10.5
274.74780	8.7
277.21732	60.2
293.21338	18.2
309.20801	13.9
310.21130	10.4
379.12357	18.7
396.27066	9.3
397.13629	70.1
415.14603	19.5
569.24652	16.3
752.69916	9.2
865.43420	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10390	100.0
69.30083	14.3
99.00238	14.5
152.82445	16.4
171.10271	64.3
219.39580	17.5
236.02917	14.4
277.21588	32.7
379.51736	14.3
397.13470	23.1
540.58911	14.5
605.95416	14.3
693.86017	16.1
782.87506	17.1
783.54053	17.6
865.43719	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	866.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31243	0.7
69.22364	3.5
71.01389	10.5
73.02956	1.6
80.91698	2.3
82.95417	10.2
84.95126	1.3
85.02959	8.7
87.00881	2.2
89.02438	4.1
95.01407	3.2
96.96047	1.0
101.02473	2.7
101.10930	0.7
105.03454	1.1
113.01723	1.2
113.02455	14.2
115.01914	0.8
117.03468	1.1
121.02913	0.7
131.03537	3.5
132.02216	4.0
133.02971	55.8
134.03813	3.5
135.04535	15.5
160.01694	2.6
161.02461	100.0
162.02831	3.2
175.04001	2.9
179.03529	5.2
186.05602	1.0
187.06398	2.4
191.05605	1.1
193.05083	2.4
227.58052	0.7
246.07762	5.3
264.08813	1.2
426.13876	1.8
572.19641	1.6
618.27234	0.7
651.20813	1.0
704.24152	49.3
705.24036	5.2
806.25555	1.0
844.29108	1.6
866.10474	1.2
866.27325	23.1
867.27631	3.3
876.65631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
64.34851	0.4
68.66317	0.4
79.45361	0.4
147.00142	0.4
168.10722	0.4
169.44347	0.4
178.81210	0.5
182.67979	0.4
782.47418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
64.34851	0.4
68.66317	0.4
79.45361	0.4
147.00142	0.4
168.10722	0.4
169.44347	0.4
178.81210	0.5
182.67979	0.4
782.47418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61508	0.2
66.50502	0.2
66.51535	0.1
71.01389	0.3
79.95744	3.5
81.19585	0.2
85.02943	0.4
89.62029	0.2
94.98084	0.2
95.01426	0.1
96.96019	100.0
98.21865	0.3
98.95627	0.3
101.02481	0.2
108.86356	0.1
113.02465	0.6
132.02167	0.2
133.02969	1.0
134.03748	0.3
135.04529	0.7
160.01682	0.4
161.02466	3.1
162.02863	0.1
171.75327	0.1
175.04071	0.3
179.03522	0.7
193.05046	0.4
198.81267	0.1
216.38695	0.2
261.14371	0.2
331.97324	0.1
367.07379	0.4
513.13184	0.2
514.41595	0.2
637.22125	0.2
769.25916	1.1
807.20306	1.3
863.97253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77011	0.1
63.04749	0.1
63.44398	0.1
67.00744	0.1
69.14690	0.1
69.15234	0.4
71.01402	0.2
78.95913	1.0
79.95747	3.8
79.96218	0.2
80.91714	0.1
85.02954	0.2
89.02504	0.1
94.98090	0.2
95.97585	0.1
96.96021	100.0
97.95964	0.2
98.95617	0.2
113.02448	0.3
123.04480	0.2
132.02180	0.1
133.02977	0.3
134.03786	0.4
135.04520	0.3
160.01657	0.7
161.02449	0.6
165.25572	0.1
175.04094	0.6
179.03535	0.2
193.05089	0.3
209.01372	0.3
234.27866	0.1
237.00780	0.1
251.02435	0.3
353.05612	0.4
393.41345	0.1
499.11774	0.1
621.65161	0.1
631.15479	0.1
637.21423	0.1
769.25708	1.0
770.25446	0.1
807.20093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00294	0.6
69.03469	0.9
70.46074	0.7
70.46401	1.1
71.01388	9.1
72.03689	0.6
73.02941	1.5
81.03433	0.8
82.94929	0.9
82.95425	16.2
83.01407	1.4
83.05034	2.3
84.95119	3.0
85.00436	1.8
85.02959	11.7
88.21150	0.7
89.02462	4.3
95.01407	4.1
100.42482	0.6
101.02441	2.4
110.02531	1.4
113.02457	22.1
114.00175	0.8
117.03485	1.2
119.03492	1.2
123.04536	8.1
132.02187	16.4
133.02974	6.2
134.03764	17.9
135.04541	23.0
137.02451	0.7
143.00435	0.8
143.03488	1.0
148.57454	0.8
149.06061	2.4
151.04051	1.1
152.03537	2.4
153.05582	9.6
160.01671	73.0
161.02461	19.4
161.04492	1.3
173.02536	0.7
175.04018	75.5
176.04387	1.6
178.02750	2.0
179.03503	6.7
186.02315	1.4
193.05054	15.7
230.01335	2.2
243.17110	1.3
297.09747	1.4
315.10834	3.0
384.56033	0.7
461.16748	13.7
491.15536	1.2
500.36612	1.0
542.95624	0.7
617.65717	0.8
618.55383	0.8
621.18732	2.3
637.21399	100.0
638.21576	5.6
653.20703	2.9
730.23547	1.2
745.58594	0.8
752.93134	0.8
773.03534	0.7
783.27173	1.8
824.25122	1.6
867.58185	3.9
868.23199	2.0
868.58044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.32356	0.3
70.32683	0.4
81.49742	0.2
142.08517	0.3
148.54396	0.3
208.42134	0.3
336.76718	0.3
388.52957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.7
69.03451	2.0
69.71002	2.0
71.01385	12.7
71.23311	0.5
72.99297	1.5
73.02940	2.6
75.00916	0.7
83.01394	10.5
84.95152	0.6
85.02954	10.1
87.00878	2.7
89.02449	5.0
89.03970	1.6
91.01891	2.4
95.01394	2.8
96.95987	0.7
97.02964	1.6
98.29772	0.7
99.00870	0.9
101.02448	3.4
107.01379	0.7
108.02178	4.4
108.81305	0.6
109.02961	1.0
111.00175	1.0
111.00892	14.7
113.02460	10.4
117.03460	4.0
119.03532	0.6
121.02967	4.5
123.00879	2.9
123.04532	7.3
124.01647	1.8
125.02451	2.8
129.01956	9.3
131.03499	4.8
132.02180	27.8
133.02997	5.4
134.03751	60.3
135.04599	3.5
136.01651	2.2
136.98726	0.8
137.02368	0.9
137.06090	1.3
138.03209	1.3
139.00395	1.0
142.75674	0.7
147.04605	1.2
149.04785	1.1
149.06093	6.2
151.04031	0.7
152.01157	2.1
152.04803	1.8
153.05638	3.0
154.26942	0.7
154.99881	1.1
155.03543	1.1
160.01666	100.0
161.02475	9.2
162.02861	1.0
164.04823	1.1
166.02733	0.9
167.03496	11.8
167.07137	3.1
168.03925	0.7
174.03223	3.9
175.04012	97.4
176.04388	2.4
178.02638	3.3
179.03496	3.3
182.02223	2.2
189.01991	0.8
189.05563	3.8
191.05637	1.7
192.04286	2.7
193.05072	34.1
194.05402	0.7
197.04538	6.9
203.05652	1.5
207.06680	6.4
217.04997	0.8
220.03667	0.8
233.04550	5.1
233.06636	1.0
235.06152	10.3
261.04010	5.8
263.05423	0.9
265.07220	1.4
279.05118	8.0
309.06192	0.7
319.13330	0.6
336.06528	0.6
357.09851	5.1
371.13403	0.8
385.09052	3.8
387.11050	1.6
415.10162	1.2
517.19196	1.0
589.21906	0.9
607.22595	0.8
611.59778	0.8
631.22815	2.7
649.23584	12.0
693.24310	0.8
792.57251	0.8
825.28314	50.5
826.28754	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	869.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	4.8
73.88954	1.0
78.02325	1.0
84.95142	2.1
85.02951	5.3
86.60137	1.0
89.02495	1.4
95.01417	2.0
98.21907	2.5
98.44085	0.9
101.02451	1.5
113.02457	7.7
117.03455	1.6
120.22699	1.0
123.04533	1.4
127.04077	0.8
131.03514	2.4
132.02199	3.3
133.02968	41.2
134.03773	3.0
135.04544	17.9
161.02464	100.0
162.02783	2.4
175.04018	1.5
179.03523	10.2
191.05676	1.8
249.10356	2.6
272.95685	1.0
335.73483	1.3
471.10706	1.1
707.26709	1.4
709.88885	1.3
868.79523	1.4
869.29816	31.0
870.30286	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	869.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52505	2.5
78.95918	13.5
106.54067	1.3
110.98539	8.9
113.26957	1.3
131.92976	1.3
167.01138	7.6
185.02231	4.8
253.21754	80.7
279.23322	100.0
280.23618	2.8
421.23584	34.7
447.25214	40.0
758.29877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.7
69.24043	1.7
69.24448	1.4
71.01399	5.6
78.28367	0.5
81.03464	0.8
83.01410	0.8
85.02969	2.4
87.00901	1.5
89.02466	2.1
89.03993	0.6
93.03480	0.6
95.01417	0.9
95.05053	0.6
96.96019	3.4
97.02982	1.2
97.07426	0.5
98.95614	1.6
99.00929	0.7
99.92577	2.9
101.02444	0.6
105.03474	1.4
107.05038	1.3
109.02972	1.0
113.02490	2.7
116.92871	25.6
117.03532	1.3
117.92907	1.2
121.02975	0.6
122.03744	1.2
123.04543	10.2
131.03534	2.6
132.02182	4.1
133.02971	51.8
134.03784	5.8
135.04539	80.5
136.04845	1.3
149.02483	1.5
150.03244	8.4
151.04030	16.6
151.05263	0.8
155.03464	0.6
161.02461	100.0
162.02835	2.8
163.04030	0.8
170.91115	0.5
175.03999	1.4
179.03511	77.7
180.03873	1.5
191.05736	1.3
193.05055	1.6
203.03687	0.6
203.05605	1.1
224.37553	0.5
233.06779	0.7
633.20355	4.3
638.28320	0.5
661.20160	3.9
663.18390	0.7
665.22144	0.7
785.24890	1.1
789.70490	0.8
795.23645	36.4
796.23676	3.1
827.26154	18.0
828.25916	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	872.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28438	1.2
71.01388	17.0
71.18002	1.4
73.02956	2.7
83.01389	2.4
85.02961	3.4
87.00889	3.4
87.39003	1.1
89.02448	12.6
97.02988	3.2
101.02438	12.1
113.02448	8.2
116.92884	1.9
119.03512	4.2
125.02466	7.2
127.11276	1.9
143.03494	4.3
153.73375	1.2
161.04556	5.4
164.33568	1.1
169.12376	1.5
171.10287	100.0
172.10672	2.6
172.24345	1.1
173.32433	1.1
179.05621	4.8
208.99127	1.2
217.07083	1.7
235.08342	7.2
253.09221	1.6
277.18732	2.6
277.21756	51.9
278.22189	3.1
287.07697	1.8
379.12463	16.4
397.13510	43.4
412.63025	1.4
415.14520	7.8
551.23425	3.6
569.24585	4.3
675.35333	2.2
804.65039	1.4
872.47589	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	872.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	17.4
73.02946	2.6
83.01398	2.2
85.02959	4.2
87.00877	2.9
89.02460	14.0
98.22700	3.5
100.20070	1.5
101.02441	12.5
113.02483	5.6
119.03516	4.8
125.02456	6.5
127.11293	2.1
143.03481	2.2
161.04593	3.6
171.10286	100.0
172.10663	2.6
179.05621	4.9
197.31955	1.5
228.86418	1.9
235.08279	5.3
259.08154	2.4
277.21765	65.5
278.22095	3.7
290.30060	1.7
305.09006	3.0
353.35651	1.4
379.12500	16.9
397.13495	51.9
398.13766	1.7
415.14499	10.1
551.23859	3.7
562.34613	1.7
675.36090	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	873.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	18.8
71.39019	0.3
85.02995	0.2
88.98814	100.0
89.99171	0.4
97.73161	0.2
142.69150	0.2
145.98688	0.2
160.01683	0.5
161.02437	0.4
175.03983	0.4
179.03539	0.3
191.79028	0.2
272.71097	0.2
306.41434	0.2
587.31403	0.2
674.84344	0.2
694.57239	0.3
759.57373	0.2
783.26886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87882	0.4
63.89443	0.3
67.01878	0.3
71.01385	6.3
73.02961	0.7
77.03967	0.5
85.02952	6.7
87.00885	1.7
88.00932	0.3
89.02454	2.7
89.03984	0.4
95.01398	2.5
95.05070	0.5
96.48778	0.4
97.77381	0.3
100.96629	0.5
101.02452	1.9
105.03481	0.9
113.02457	9.9
117.03479	1.7
119.03494	0.5
120.67000	0.3
123.04565	0.7
131.03551	1.0
132.02176	4.3
133.02972	50.7
134.03853	2.4
135.04543	15.9
137.02455	0.6
159.03256	1.0
161.02460	100.0
162.02802	2.5
174.05589	0.7
179.02032	0.7
179.03516	8.1
180.61902	0.4
191.05634	0.6
193.04933	0.4
197.40565	0.4
229.01033	0.4
239.07060	1.8
254.09386	1.4
272.10422	0.5
487.01266	0.4
580.21429	1.2
712.25861	4.3
742.25232	0.7
779.97827	0.5
787.75574	0.4
874.28882	30.4
875.29187	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	874.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	8.6
65.35507	8.6
70.32309	22.2
80.35802	10.4
80.55553	8.6
84.12856	8.8
113.07244	28.2
146.06148	21.0
146.31952	10.2
161.02489	11.0
167.08238	16.9
193.09790	11.0
203.19272	10.3
209.43376	8.6
224.50597	9.1
253.24556	11.1
264.13657	13.5
306.45465	10.5
494.94568	11.0
520.62305	11.8
622.33209	12.3
726.57202	10.6
831.47888	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	875.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	19.6
67.34551	1.1
70.60165	1.1
71.01375	6.0
85.02953	6.1
87.00899	1.8
88.98815	68.2
89.02430	2.5
95.01403	2.1
98.22713	1.9
101.02436	1.8
105.03496	1.5
107.05047	1.3
109.02962	1.4
113.02453	9.0
113.92968	1.1
123.04527	9.3
131.03497	2.6
132.02208	2.4
133.02971	42.1
134.03717	4.6
135.04538	75.8
136.04858	1.9
150.03238	6.3
151.04022	16.4
161.02460	100.0
162.02805	4.8
167.01694	1.2
173.92155	1.1
179.03516	80.1
180.03856	2.5
189.05682	1.0
193.05103	1.2
262.42828	1.4
378.38263	1.2
591.19604	3.0
619.18793	7.5
753.22430	38.4
754.22870	3.2
785.25140	50.9
786.25269	3.3
874.79327	1.2
875.26758	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	877.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32278	4.8
71.01374	2.7
73.02965	1.9
81.03407	1.1
82.42908	1.1
85.02949	3.2
92.39877	1.0
96.96035	1.7
98.22721	1.1
111.50565	1.0
118.06578	1.3
120.08138	1.7
121.05335	1.7
122.05325	1.6
122.06136	18.0
134.06111	4.1
135.04539	1.1
144.04556	1.3
147.03093	1.1
160.04077	1.7
160.06453	3.4
161.02454	2.9
161.04840	1.7
162.05630	1.8
174.05583	6.5
203.05849	3.7
213.10350	19.3
215.11969	2.5
226.11177	1.6
239.11917	9.5
241.13445	9.1
249.10287	1.1
251.11995	3.0
265.09818	2.0
267.11383	20.7
271.12329	1.2
277.98978	1.3
283.10858	4.8
285.12457	53.6
291.11493	2.0
293.09680	1.9
293.12991	3.4
314.12906	2.2
325.11990	2.6
327.13632	1.8
328.10876	1.4
329.15408	8.5
330.16196	2.9
342.12491	1.2
343.13208	1.8
344.17612	2.0
354.12460	1.4
354.16281	2.1
356.14127	5.7
357.14166	1.5
368.17661	1.7
370.15686	11.5
371.16125	2.1
372.17096	4.2
382.11530	1.7
383.12372	1.2
384.13242	2.3
395.16293	2.2
396.13397	4.3
397.14240	5.4
398.15158	7.2
410.15103	1.2
411.15820	4.1
412.16650	7.9
413.17410	4.2
416.16086	1.3
432.82422	1.2
438.14606	5.1
439.15402	2.4
451.21255	2.5
470.17087	1.7
479.20596	1.7
493.22479	6.5
494.86517	1.1
519.20178	2.5
520.20386	1.1
533.21887	1.5
535.23584	27.0
538.22168	1.1
553.24902	1.5
561.21509	9.5
567.26636	1.5
579.22577	48.3
580.22974	2.7
593.24078	4.7
594.24292	1.3
595.25262	4.2
611.25171	100.0
612.25702	5.5
621.23578	13.2
629.26392	2.3
639.24719	17.4
653.26025	13.9
671.27228	37.7
672.27380	2.2
713.28510	1.9
773.29926	1.4
853.87878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62234	1.1
78.95909	62.3
79.46767	0.5
96.96963	7.6
106.07478	0.6
110.98537	1.4
123.87614	0.6
146.85895	0.6
150.98015	2.2
152.99599	100.0
153.99992	0.8
171.00621	3.2
215.27519	0.6
263.20132	0.8
277.21747	14.7
278.22116	0.9
324.72134	0.8
431.22070	34.8
432.22360	1.3
445.23621	7.1
449.05930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17287	7.4
78.95914	78.8
96.96993	5.9
98.22620	3.0
110.98582	1.2
111.09677	1.2
152.99609	100.0
153.08133	1.2
171.00685	2.2
222.51419	1.3
275.53143	1.3
277.21753	24.2
425.60696	1.4
431.22092	51.1
445.23569	8.5
654.32959	1.4
703.83093	1.4
714.73682	1.3
914.62048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65215	0.9
71.01382	6.2
71.39655	0.8
83.01341	0.9
85.02946	5.5
87.00879	1.4
89.02444	2.6
95.01405	1.8
96.96021	1.1
101.02383	1.4
105.03449	1.1
113.02466	8.9
117.03501	2.1
131.03551	1.3
132.02194	3.2
133.02971	49.7
134.03722	0.9
135.04524	14.0
153.47415	0.9
161.02457	100.0
162.02803	1.8
179.03531	6.5
216.11430	1.3
540.22723	1.0
626.31805	1.1
674.28772	1.3
836.31079	1.8
878.33081	42.2
878.50336	2.0
879.33374	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33588	0.7
71.01391	11.3
73.02945	1.5
75.90449	0.8
78.91896	1.8
79.95745	1.0
83.01406	1.0
85.02957	10.8
86.00109	1.3
87.00883	3.2
87.38880	0.7
89.02443	4.8
89.03980	2.1
94.98103	4.9
95.01412	3.6
96.96017	12.9
96.97002	0.8
98.22691	2.3
101.02474	3.8
113.02460	16.2
117.03448	6.1
129.33212	0.7
131.03514	4.6
132.02185	31.1
133.02950	3.3
134.03758	64.8
135.04515	0.8
141.64075	0.7
149.04614	1.4
149.06058	5.5
160.01671	100.0
161.02272	4.6
175.04022	85.6
176.04440	1.6
178.02762	1.8
179.03407	1.4
186.05627	3.0
191.05632	1.2
193.05074	48.1
194.05424	0.8
215.68288	0.8
218.07086	1.1
222.10698	0.7
230.06940	1.3
245.09433	1.1
265.07028	0.8
316.85822	0.7
319.27234	0.7
685.25110	1.7
703.25647	8.8
735.82861	0.8
747.25330	1.4
824.33197	0.8
879.30524	50.9
880.30908	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	879.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92463	1.5
67.50884	1.7
70.06917	2.2
70.07258	3.6
71.01389	8.0
71.35936	1.6
73.02962	2.5
83.01385	2.4
85.02950	16.6
89.02445	4.5
95.05064	2.2
96.96039	5.0
98.97287	1.6
101.02421	2.2
107.03802	1.8
110.06135	1.7
111.00887	2.0
112.18748	1.6
113.02459	3.1
115.00349	1.9
120.08205	4.4
121.05339	2.7
122.06133	22.7
133.02965	4.5
134.03770	2.3
134.06117	2.2
135.04585	4.1
145.90027	1.7
153.88315	1.7
161.02444	14.9
161.04651	1.8
162.02788	3.6
174.05635	3.5
179.03482	2.0
191.01999	3.0
193.04991	2.1
236.09656	2.3
237.10301	6.3
239.11945	1.6
251.11880	10.2
252.06796	1.8
263.08249	3.9
264.08972	4.9
265.09857	4.5
276.09070	3.8
277.09775	8.0
278.10602	3.9
279.11386	3.9
291.11444	6.9
292.12198	5.2
293.12985	7.0
297.12564	2.2
319.10892	13.1
335.10168	2.1
336.11380	1.7
342.12491	2.0
342.65009	2.0
350.12683	1.8
351.13531	7.4
352.14270	5.8
353.14877	1.6
357.14999	2.5
358.15555	3.9
370.12000	6.5
372.17383	7.6
372.84686	1.6
373.17911	2.5
374.18698	3.9
384.13504	5.9
385.14145	5.2
386.14868	2.6
398.14993	4.5
399.15878	5.6
400.16620	5.7
414.18250	8.4
415.18491	2.5
418.17709	9.8
426.14511	6.0
440.15796	3.4
441.16943	3.9
458.17194	6.0
459.17630	3.3
472.18903	5.6
473.19495	16.0
474.20309	14.5
490.19992	5.2
491.20166	2.2
492.21619	1.9
495.23801	4.0
505.18777	2.6
508.20734	1.8
511.20624	4.4
513.25311	2.6
521.22015	5.8
537.25397	4.3
539.22760	2.6
563.23474	7.9
581.24078	12.7
595.25665	100.0
596.26349	8.6
599.24933	2.6
613.26746	67.4
614.26959	7.1
631.27124	14.7
637.26599	2.5
641.25525	2.0
655.27887	22.6
656.29071	1.8
673.28546	8.6
703.23181	2.5
715.29498	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	879.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03016	1.2
70.02981	0.5
71.02512	2.8
73.04069	2.1
74.02476	1.2
83.02512	1.7
84.00916	5.8
85.02950	1.2
85.04081	1.5
87.05646	4.7
88.91498	0.5
91.05540	1.3
93.03461	1.8
95.02508	1.9
97.00438	0.5
97.04068	1.2
98.01208	0.8
99.02016	5.7
102.10759	0.5
102.33523	0.4
109.04059	2.5
110.01248	1.4
110.02565	0.6
110.03620	0.7
110.06091	0.5
111.02010	4.3
111.05662	0.8
113.03581	16.2
113.07217	24.6
114.05634	1.2
114.07604	0.5
116.05068	4.2
118.06639	4.0
119.05035	21.8
123.05647	1.0
125.03551	2.3
125.07196	1.3
126.06746	2.2
127.05107	1.3
128.04646	0.8
130.06262	1.6
131.05022	1.0
132.04564	0.7
133.05383	0.5
135.05620	0.7
137.07153	0.8
138.03113	0.8
138.05606	0.7
138.06718	0.5
139.05141	2.0
139.08746	1.5
142.06587	1.3
144.07834	1.3
145.02924	0.6
146.04958	0.8
146.06134	16.8
149.07204	2.1
151.05157	1.2
151.07475	0.8
152.05933	0.5
152.08316	2.3
153.06706	25.8
156.04184	0.6
157.05331	1.1
158.06148	6.1
159.09302	0.9
160.07690	1.7
161.02429	0.8
162.05595	2.2
163.05142	1.1
163.08795	0.8
166.09860	2.3
167.08289	2.7
170.05876	0.8
170.09358	9.1
172.07721	0.7
173.07210	0.7
174.05608	0.9
178.06250	1.3
179.04646	1.6
179.08286	1.0
180.11536	0.7
184.10915	24.4
185.07228	3.1
186.05627	16.1
187.08842	0.8
188.07114	0.5
189.06702	1.7
189.10339	0.6
199.08775	3.0
199.12384	1.1
200.07135	2.5
202.05074	3.6
203.08264	11.6
209.10449	1.1
210.08891	4.4
213.10298	1.1
215.12001	0.5
217.09802	1.6
219.07751	1.7
220.10963	0.7
222.11182	0.6
223.12019	8.0
224.10406	0.8
227.11546	1.1
236.10486	1.2
241.09743	0.6
241.13051	4.2
242.09372	3.6
242.13153	0.9
243.07709	1.4
243.11464	2.4
248.10800	1.2
255.11438	0.6
256.10916	2.0
256.14493	0.8
260.10425	4.7
260.14066	5.8
264.10257	1.0
273.12839	0.5
274.11923	1.1
280.14148	1.3
282.12476	4.6
283.10782	0.8
292.09976	1.2
298.15186	1.1
299.15085	2.4
300.13528	4.1
309.12512	1.3
313.16708	2.1
314.15018	0.5
316.13022	0.8
317.16165	2.3
327.18503	0.8
331.17737	1.2
339.14627	1.0
340.12787	0.6
356.17316	0.6
357.15445	0.6
366.14648	0.9
370.18790	1.4
371.17181	0.8
374.18307	1.3
382.89359	0.6
387.33469	0.5
388.19955	2.1
404.19263	0.9
410.18140	0.5
423.19885	0.5
428.19174	2.8
448.85956	0.5
480.22488	2.7
520.22101	2.9
524.26410	1.0
525.24786	0.6
534.23462	0.5
542.27441	5.7
575.25861	1.2
591.25653	3.1
616.29944	0.5
631.28772	1.1
632.32092	4.5
634.29926	4.3
648.31494	7.7
667.28925	1.7
681.30963	0.7
729.33533	2.2
738.32098	0.5
791.38965	0.7
817.36737	0.9
835.37921	100.0
836.38110	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	881.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17912	0.1
67.17934	0.1
69.33337	0.3
69.33733	0.2
71.01386	0.3
75.58961	0.1
77.71248	0.1
78.95910	3.5
79.81086	0.1
79.95747	4.0
80.91669	0.3
85.02959	0.4
89.02479	0.1
92.26601	0.1
93.39216	0.1
94.98099	0.3
96.96020	100.0
96.96900	3.3
97.95958	0.3
113.02467	0.4
129.01917	0.2
130.44830	0.1
132.02179	0.1
133.02962	0.3
134.03775	0.6
160.01665	0.7
161.02396	0.5
167.03476	0.2
175.03999	0.7
193.05080	0.5
237.01041	0.2
245.01398	0.2
250.01613	0.5
353.90619	0.1
367.07162	0.6
513.12976	0.3
543.11761	0.2
783.26794	0.6
821.22296	1.3
822.22449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.9
69.05677	5.6
71.01391	8.6
79.95748	1.1
85.02960	6.3
88.82534	0.7
89.02454	4.3
95.01401	2.8
96.96040	2.1
101.02453	3.1
110.02469	1.1
113.02463	13.9
117.03456	2.4
119.03526	0.8
128.01784	1.9
132.02182	23.6
133.03015	4.4
134.03748	23.4
135.04527	3.3
137.06108	1.7
143.00508	1.1
149.06064	2.8
152.04849	1.5
156.01326	1.3
160.01674	90.6
160.82158	1.0
161.02466	9.3
161.04579	1.0
167.07149	2.7
175.04018	96.4
176.04349	1.2
178.02689	1.1
179.03523	3.3
186.02283	1.5
193.05057	12.7
260.84918	0.9
336.53311	0.9
475.18024	2.4
651.22980	100.0
652.23285	5.1
809.65753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01415	0.1
77.72888	0.2
79.37283	0.1
85.02962	0.2
88.64967	0.1
91.24238	0.1
96.00923	0.2
99.00902	0.2
113.07268	0.2
130.94298	0.1
133.02991	0.3
134.03796	0.2
135.04558	0.3
160.01675	0.2
161.02492	0.6
162.31111	0.1
170.09416	0.4
175.04031	0.3
179.03545	0.2
206.64789	0.1
211.59152	0.1
293.19922	0.2
299.15347	0.2
311.21021	0.2
354.58936	0.1
364.11047	0.1
651.23645	0.3
722.40369	0.4
755.50818	0.2
801.41364	0.2
819.41644	1.9
820.42590	0.3
882.41296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57126	1.3
69.07048	10.9
69.47907	1.5
73.04076	5.8
74.14786	1.3
74.90714	1.5
75.32674	1.3
77.52381	1.6
83.06188	1.6
84.00904	1.9
85.04065	4.2
87.05644	6.0
91.05533	2.3
97.04067	3.5
98.16639	2.0
98.21809	2.6
99.02018	7.1
109.04073	5.1
110.02492	2.3
111.05663	2.0
113.03610	8.0
113.07222	61.2
114.05613	2.3
116.05095	9.3
118.06618	4.2
122.09773	2.1
125.03561	1.7
127.05142	4.8
137.07124	1.9
139.08783	4.1
142.06120	1.7
144.07777	5.6
146.06140	20.0
150.47507	1.5
152.05920	1.7
152.10754	1.8
153.06703	8.0
156.08220	1.4
158.61787	1.4
166.09895	2.8
167.11862	3.5
170.05663	1.6
170.09378	2.1
172.07718	2.2
174.05637	3.0
177.10374	2.4
178.08733	2.2
184.10927	34.7
185.85635	1.5
195.11415	18.0
199.08730	2.0
200.07164	13.3
202.08759	1.8
208.14583	6.6
212.14066	4.3
213.10245	2.6
217.09793	10.1
224.10434	1.9
231.11215	1.7
234.12462	2.0
243.11377	6.1
256.10922	9.1
260.13974	5.5
270.16284	3.4
274.11954	13.8
291.18283	5.0
309.19247	4.7
313.16785	1.9
370.77689	1.9
388.19980	3.9
390.18069	2.7
409.22537	2.6
435.02890	1.4
567.29443	6.0
638.33508	2.9
663.36395	2.5
681.37427	36.9
682.37482	3.6
703.35059	1.9
771.42114	4.6
799.60614	1.7
838.45569	1.9
882.45258	100.0
883.45471	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	883.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.6
74.67495	0.1
79.95748	3.6
85.02966	0.8
87.00887	0.2
89.02444	0.4
95.01423	0.2
96.96022	100.0
97.95957	0.3
98.95615	0.4
99.77395	0.1
101.02489	0.2
113.02462	1.4
123.04550	0.3
132.02174	0.2
133.02979	4.6
133.04005	0.2
134.03748	0.4
135.04539	3.7
150.03265	0.2
151.03992	0.4
160.01744	0.1
161.02467	10.2
162.02863	0.2
165.00113	0.2
179.03546	2.1
191.00446	0.2
192.99654	1.4
222.43752	0.1
234.99277	0.6
277.00195	0.2
289.00208	0.3
328.99741	0.2
409.04660	0.2
461.16660	0.3
593.21216	0.4
655.17297	0.3
753.22760	0.5
755.24097	5.0
756.25037	0.3
785.24835	0.7
791.17102	1.1
823.20117	0.2
882.78979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35086	0.8
65.03959	2.6
67.86437	0.7
69.03464	11.6
70.56901	0.7
71.01386	23.3
72.12949	0.8
73.02555	1.3
73.02950	10.4
81.03456	1.7
83.01375	3.8
83.05035	14.9
85.02960	9.9
86.00096	0.7
87.00893	2.1
87.04518	1.8
88.98812	14.8
89.02441	7.2
95.01393	1.5
97.06623	1.5
99.00889	2.9
101.02453	15.3
109.06567	1.5
111.00902	1.9
113.02464	14.5
119.03539	3.1
123.08199	1.6
125.02476	1.0
125.76578	0.8
127.04028	3.3
133.02985	1.2
135.04561	1.2
139.07735	1.2
143.03535	2.2
150.06870	1.1
151.07645	8.2
151.11273	1.0
159.03053	1.2
160.19563	0.8
161.02452	2.8
161.04552	5.2
161.05844	0.9
165.09192	2.6
165.38103	0.7
177.03366	0.9
179.03577	2.1
201.09300	2.6
204.07947	0.9
207.13931	1.1
209.11607	1.0
226.10085	1.2
232.11127	1.0
233.11823	1.7
235.13394	4.1
246.12732	1.2
251.12830	0.8
255.13882	0.8
255.19780	1.5
258.12656	3.3
259.13510	2.6
261.14999	11.8
273.15012	2.8
273.26138	0.9
277.87491	0.8
284.14044	1.4
288.13678	4.4
299.16547	4.3
302.15277	1.9
317.17603	8.1
329.19876	1.7
343.14923	1.1
353.57620	0.8
361.16577	9.6
375.07007	0.9
379.17657	32.0
380.17886	0.9
381.22733	1.0
399.23889	100.0
400.24152	4.4
417.24976	37.3
418.25674	1.1
459.26022	25.6
460.26340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47280	4.9
71.01373	5.1
85.02948	7.6
89.02446	2.3
95.01411	2.2
96.96003	2.0
101.02488	1.3
102.58588	1.1
107.05035	1.6
113.02456	10.1
117.03463	1.1
121.02969	2.5
130.36920	0.9
131.03481	2.4
132.02173	1.4
133.02971	37.8
134.03784	9.2
135.04538	96.3
137.02390	1.5
149.02448	2.8
150.03265	1.6
151.03983	1.3
161.02452	68.9
162.02760	1.2
165.01964	1.6
179.03505	100.0
180.03790	3.4
193.05040	2.7
231.05371	3.6
272.18326	0.9
355.93311	1.1
440.98035	1.1
619.18652	8.8
783.23584	28.2
784.24164	2.5
785.24994	7.9
866.27502	5.7
884.28564	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	884.295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	20.2
71.01389	6.4
73.02968	0.9
85.02959	3.6
87.00861	1.5
89.02460	3.1
95.01375	1.9
101.02451	2.2
105.03436	0.9
113.02448	7.0
117.03465	1.3
118.98074	2.2
120.99648	1.3
127.04082	0.7
130.10532	0.7
131.03516	2.4
132.02165	3.0
133.02969	43.2
134.03708	2.9
135.04529	12.9
160.01651	1.5
161.02455	100.0
162.02805	2.5
167.79045	0.7
179.03493	7.0
190.03406	0.6
191.05698	1.2
204.35414	0.6
221.03342	0.8
351.11200	0.6
555.74939	0.8
563.80310	0.8
821.29907	60.8
822.30206	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	884.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64002	0.3
70.82214	0.6
71.01385	5.8
73.02940	0.5
77.04002	0.5
84.62075	0.3
85.02960	5.4
87.00893	1.3
89.02460	2.5
89.03984	0.5
95.01405	1.9
96.95930	0.3
97.59416	0.3
101.02449	1.3
104.02695	0.4
105.03474	1.3
113.02464	6.7
115.01915	0.8
117.03487	1.7
123.04537	0.5
131.03523	2.0
132.02191	3.6
133.02969	50.8
134.03853	2.6
135.04539	11.5
144.04588	0.6
161.02460	100.0
162.02800	2.3
178.02730	0.4
179.03496	4.8
192.34251	0.3
193.05109	0.5
249.07988	1.0
299.34631	0.4
301.80286	0.4
590.21979	0.6
707.67047	0.4
707.78516	0.5
722.26923	0.8
752.25867	0.5
811.42621	0.6
835.64099	0.4
884.29895	42.4
885.30084	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	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76765	0.6
61.98829	0.8
63.25323	0.6
71.01387	14.9
73.02954	1.7
78.95915	0.7
80.02668	0.7
81.03452	1.8
83.01379	2.5
83.05043	5.4
83.48888	0.6
84.02180	0.6
85.02971	3.8
87.00887	3.9
89.02457	11.8
95.01391	1.1
97.02959	2.5
101.02447	11.1
106.21240	0.8
113.02462	6.4
115.95900	0.6
119.03496	2.5
123.45367	0.7
125.02470	3.6
143.03500	2.0
161.04610	3.3
163.11327	4.8
165.12819	1.8
170.68269	0.6
172.10674	0.7
179.05591	3.8
191.10788	1.0
196.65842	0.6
199.13457	1.2
207.10222	0.6
209.11844	100.0
210.12190	2.1
211.13420	0.9
221.06665	1.2
225.11407	1.1
227.12904	14.1
235.08308	5.6
253.09398	0.8
277.21741	45.9
278.22092	1.2
287.07849	1.6
305.08804	1.8
323.09775	0.8
379.12448	5.1
397.13550	31.5
398.13953	1.0
415.14597	9.0
470.71115	0.7
607.26367	1.5
625.27466	0.7
660.13428	0.9
799.52563	0.8
885.47919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.7
68.57509	0.8
69.03419	0.9
69.16454	2.0
69.16845	3.4
71.01384	15.3
73.02947	1.7
78.62772	1.1
80.02686	1.8
81.03484	1.5
83.01373	1.2
83.05024	5.1
85.02972	4.7
87.00890	3.7
89.02452	13.9
97.02951	3.1
98.22644	1.5
101.02469	10.8
113.02488	5.3
119.03511	3.6
125.02441	4.8
131.03523	1.6
143.03519	3.2
161.04601	3.7
163.11322	5.3
165.12904	2.2
166.37169	1.0
179.05597	4.6
180.87822	1.0
188.88658	0.9
191.10770	2.4
209.11847	100.0
210.12192	2.4
221.06627	1.0
221.50294	0.9
227.12900	14.5
235.08234	4.6
277.21762	47.5
278.22092	1.9
280.60056	0.9
287.07791	1.2
305.08746	1.8
360.36368	1.0
376.29199	1.0
379.12579	5.3
397.13528	29.5
415.14508	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	885.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61070	1.8
78.95906	10.0
110.97841	0.7
110.98545	8.0
165.61987	0.4
167.01172	6.8
169.37305	0.4
169.84540	0.5
176.01682	0.4
185.02185	4.3
207.29579	0.5
255.23318	63.9
256.23682	2.9
293.24896	100.0
294.25253	4.4
349.25616	0.5
377.17163	0.5
405.51663	0.4
423.25204	38.5
424.25394	2.4
461.26773	45.0
462.27353	2.8
665.71667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.527
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89156	0.9
69.99233	2.6
75.69334	1.2
77.75941	1.0
78.95902	8.9
81.23196	0.9
82.24626	1.0
91.58248	1.0
98.22586	1.3
110.98513	7.4
164.25586	1.0
167.01146	7.2
184.99118	1.0
185.02284	5.2
194.39731	0.9
255.23302	67.7
256.23648	1.8
293.24890	100.0
294.25272	5.8
297.64154	1.0
423.25189	28.6
423.30896	1.4
424.25275	2.1
461.26727	36.2
462.27426	2.4
541.60126	1.1
760.27368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56011	0.5
67.87962	0.4
69.81292	1.2
69.81648	0.9
71.01392	6.4
73.02961	0.8
77.03978	0.8
79.04871	0.4
85.02959	4.6
87.00873	1.3
89.02439	2.5
95.01405	1.6
98.22655	0.4
101.02446	1.7
105.03488	1.1
107.05004	0.5
113.02463	8.9
117.03495	1.7
131.03500	2.0
132.02161	2.5
133.02969	42.3
134.03683	1.6
135.04544	14.4
149.07231	0.8
161.02458	100.0
162.02803	2.9
177.01776	0.4
178.02866	0.5
179.03516	9.3
180.03839	1.1
191.05667	0.5
203.08284	0.5
230.09314	1.1
273.22482	0.5
275.96530	0.4
335.29095	0.5
381.56052	0.5
501.33969	0.5
614.12708	0.5
688.26318	1.2
718.25000	0.5
728.71277	0.5
785.24225	0.7
850.28894	49.1
851.29401	7.2
909.70728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93849	0.4
71.01389	8.9
73.02965	0.7
79.60156	0.6
83.01370	0.5
85.02952	10.1
87.00887	1.2
89.02438	2.9
89.03963	0.6
95.01380	3.1
101.02454	1.3
105.03487	1.2
109.02963	0.5
111.76309	0.4
113.02460	15.3
115.01978	0.5
116.92860	0.9
117.03462	1.3
121.02962	1.0
131.03534	2.3
132.02182	4.0
132.04590	0.9
133.02972	58.6
134.03680	2.1
135.04541	16.5
135.05339	0.3
136.04889	0.7
137.02501	0.4
144.04570	14.8
144.91408	0.4
144.94154	0.5
147.70827	0.4
160.01724	0.6
161.02461	100.0
162.02803	3.4
162.05676	0.5
165.70656	0.4
179.03517	8.1
180.03963	0.6
188.70444	0.4
191.05583	0.6
222.61763	0.5
266.08243	13.9
266.27560	0.6
267.08719	0.5
284.09259	1.3
446.14832	1.0
592.20197	3.0
724.24664	43.0
725.24866	4.4
842.24335	1.7
856.80939	0.6
886.27747	22.7
887.28137	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	886.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.96327	0.2
80.26830	0.1
81.82631	0.1
102.89880	0.1
113.07262	0.3
114.93066	0.1
119.05013	0.4
127.08023	0.1
133.03006	0.2
153.69626	0.1
161.02530	0.4
170.09442	0.3
189.35985	0.1
251.15231	0.4
793.42548	3.4
793.56958	0.2
794.42566	0.4
823.43829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.28849	0.2
70.29168	0.2
86.89959	0.2
96.00423	0.2
110.72498	0.2
113.07224	0.5
146.06192	0.2
170.09341	0.9
185.07307	0.3
185.86511	0.2
225.16066	0.2
260.50983	0.2
299.15210	0.3
406.92801	0.2
793.46033	3.1
793.59174	0.3
794.47388	0.5
805.47070	0.2
823.48572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11588	0.3
69.29635	1.7
71.01387	6.2
83.01400	0.4
85.02959	7.9
87.00882	1.4
89.02438	1.5
89.03996	0.6
95.01396	2.9
97.55057	0.3
99.05374	0.3
101.02442	0.9
104.02697	0.3
105.03458	1.3
106.04249	0.3
107.05070	0.4
107.27527	0.3
107.73434	0.3
109.03005	0.4
113.02464	11.7
115.01914	0.4
117.03497	2.1
123.04527	0.6
131.03545	1.9
132.02205	4.4
133.02971	53.0
134.03786	7.2
135.04536	16.3
143.03624	0.3
149.04619	0.6
149.06079	0.6
150.39183	0.3
160.01692	0.8
161.02460	100.0
162.02786	1.7
175.04076	0.4
179.03519	13.6
191.05582	0.8
193.05061	4.0
225.04533	0.4
233.04520	0.3
233.06598	0.3
252.05452	4.3
253.06084	1.6
267.07755	0.5
305.06970	0.3
315.07260	0.3
636.42480	0.4
757.22400	0.9
887.27356	41.8
888.27386	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	888.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20221	1.7
69.78161	0.3
71.01386	7.9
72.99306	0.9
73.02943	0.9
77.03983	0.7
83.01373	0.5
85.02957	10.2
87.00888	1.9
88.98825	0.3
89.02453	1.9
89.03981	0.7
95.01399	3.5
95.05058	0.3
96.45575	0.3
99.00925	0.4
99.04540	0.3
101.02448	1.0
105.03470	1.4
107.05035	0.6
109.02964	0.6
113.02457	13.8
115.01868	0.3
115.32000	0.3
117.03488	2.6
123.04568	0.3
131.03525	2.1
132.02180	4.0
133.02969	56.3
134.03769	12.7
135.04538	28.1
136.04877	0.9
137.02489	0.6
143.03488	0.4
149.04604	0.5
149.06081	0.9
160.01682	0.8
161.02457	100.0
162.02765	3.1
175.04034	0.7
178.02769	0.7
179.03511	25.5
180.03886	0.7
191.05675	1.2
193.05063	8.9
194.01007	0.3
194.05518	0.4
225.04298	2.2
226.05016	0.4
233.06683	0.3
253.03822	6.3
254.04578	5.5
255.05193	0.6
268.06152	2.0
272.05804	0.4
279.53314	0.3
305.06543	0.4
336.82092	0.3
430.37582	0.3
481.53888	0.3
523.84778	0.3
619.19592	0.5
726.22296	2.4
756.21155	0.4
758.22083	1.2
870.30176	0.4
888.25751	41.6
889.26208	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	889.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.4
69.12229	2.4
71.01382	2.6
72.99313	1.4
73.02934	0.5
75.00880	1.4
83.01388	1.9
83.82899	0.5
84.02168	1.4
85.02956	100.0
86.03304	0.5
87.00874	0.9
89.02435	0.4
101.02451	0.8
103.00383	1.4
107.07707	0.4
111.00882	4.4
115.00382	0.8
129.01955	7.7
133.01413	0.8
134.03773	3.2
134.04665	0.5
147.01836	0.7
147.03003	12.6
161.02458	1.3
167.43483	0.4
173.00941	2.8
191.01985	56.4
192.02318	0.6
193.04994	2.1
209.03038	11.3
332.33182	0.4
341.29037	0.4
356.75607	0.4
367.06784	1.6
385.07773	20.9
544.38940	0.5
610.41901	0.4
897.99225	0.4
909.91449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4815
Annotation	dipalmitoyl phosphatidylinositol 3-phosphate
Peak:m/z	Relative Intensity
61.98843	4.0
71.01383	11.1
75.77202	2.0
85.02961	3.1
89.02432	10.2
92.31911	2.3
96.46479	2.5
98.21922	8.8
101.02448	9.9
107.04510	2.8
110.19185	2.4
113.02457	4.6
119.03512	2.6
125.02434	2.8
151.11320	4.6
169.12354	23.2
171.10287	55.8
179.05579	2.5
213.11354	3.5
221.06633	3.0
277.21808	21.6
280.11044	2.3
397.13266	6.8
871.45917	5.1
889.48059	100.0
890.48120	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	889.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.6
71.01382	17.0
73.02943	3.0
78.60882	1.2
83.01394	2.1
85.02966	5.5
87.00913	3.8
89.02454	12.1
95.01389	1.7
95.64175	1.5
97.02984	2.6
101.02451	11.3
113.02441	7.6
119.03551	2.9
125.02468	5.3
125.09744	1.9
127.11329	1.9
143.03510	2.5
161.04587	4.2
171.10286	100.0
179.05676	2.7
183.92767	1.4
235.08353	4.9
277.21756	56.3
278.22083	2.5
279.27725	1.2
287.07718	2.6
305.08853	2.3
319.38046	1.4
320.69577	1.5
379.12476	13.2
397.13477	37.7
415.14502	6.4
548.99438	1.4
551.23315	3.2
569.24567	4.0
675.35510	2.2
924.16113	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	889.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	12.7
67.28600	3.0
71.01392	17.5
85.02930	6.5
88.27753	3.3
89.02445	15.6
93.99751	3.1
101.02430	15.6
106.82582	3.1
110.05699	3.3
113.02451	4.4
119.03526	3.2
125.02464	5.3
143.03380	3.8
161.04602	4.1
171.08801	4.9
171.10286	100.0
179.05624	5.5
199.34895	3.4
199.51199	3.5
212.82285	4.6
227.02861	3.2
235.08188	7.6
277.21756	67.4
278.21902	3.9
379.12665	10.3
397.13525	40.6
415.14734	7.4
551.23383	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	892.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03025	0.6
71.01385	6.5
71.05023	0.7
73.02928	0.8
81.57591	0.5
84.61941	0.5
85.02962	7.9
85.98456	0.6
87.00873	1.3
89.02458	2.8
89.29893	0.6
91.66789	0.4
95.01385	2.5
101.02445	1.5
105.03461	0.6
109.04079	1.9
113.02464	10.5
113.03265	0.6
117.03478	1.1
119.03538	0.7
131.03510	2.0
132.02151	2.8
133.02971	45.7
134.03813	3.8
135.04535	16.0
146.57234	0.5
148.04045	1.1
149.04791	0.6
150.56966	0.5
160.01729	0.9
161.02458	100.0
162.02834	1.7
179.03508	14.3
180.03830	0.7
191.05722	0.8
239.07048	0.9
254.09377	0.6
344.13284	0.6
490.19586	1.0
587.33942	0.5
622.23517	0.7
629.21191	0.5
695.52100	0.8
704.55450	0.5
712.25555	2.6
730.27991	0.8
762.27399	3.6
783.26184	2.2
784.26764	26.9
785.27167	2.4
874.28979	21.5
874.46320	0.7
875.29120	2.5
892.29718	3.7
906.64758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02995	1.8
70.46192	0.9
79.43830	0.8
84.00974	1.2
86.59246	0.7
93.04591	6.5
104.69227	0.9
108.05677	2.0
110.03610	0.9
110.63538	0.7
113.07188	1.9
115.08758	1.2
118.30885	0.9
129.10367	4.4
133.02933	0.8
136.05176	1.6
136.64725	0.8
139.08768	1.9
140.07195	0.9
141.06735	0.9
151.08760	4.2
153.06689	2.0
153.07838	2.9
155.08289	2.7
155.11893	0.9
161.02435	2.3
164.09503	1.2
169.09816	1.2
174.05513	1.1
188.11938	2.1
193.13458	1.8
194.13014	1.2
195.11348	1.7
207.15005	4.1
212.14043	4.6
221.14096	1.1
224.10417	1.2
224.17751	1.8
231.12552	6.2
232.10774	1.3
242.18716	2.4
248.15074	0.9
249.13649	1.7
251.15073	0.9
266.16214	2.0
307.21466	1.7
323.24722	0.8
325.22385	2.5
420.29800	1.6
438.30573	3.1
799.48425	100.0
800.48529	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	893.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63543	0.8
69.03461	8.5
71.01386	79.4
71.05019	1.5
71.18858	0.6
72.01714	0.7
72.99286	0.8
73.48867	0.6
85.02977	0.9
89.48781	0.6
91.10066	0.7
98.22647	2.3
111.08173	2.1
113.06071	1.2
115.00385	27.5
135.00818	0.7
135.69672	0.8
139.11305	13.9
151.00397	1.3
158.18285	0.7
163.00447	0.9
179.48978	0.7
183.10275	100.0
184.10638	3.4
187.04077	1.0
187.30391	0.7
213.05487	0.8
227.03503	9.0
229.05086	3.3
239.03557	0.8
243.03183	0.8
255.03000	17.7
256.03561	1.8
257.04507	1.5
284.03299	25.9
285.04059	32.4
286.04504	1.0
299.11380	33.5
300.11801	1.0
431.48795	0.7
460.18945	0.7
593.15155	80.4
594.15564	7.2
637.84637	0.9
706.51807	0.9
719.23187	0.8
813.82129	0.8
846.42859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18967	1.9
69.19376	0.7
74.76273	0.5
78.95909	17.7
83.09805	0.5
104.97489	1.2
110.98542	11.3
152.99565	0.7
163.69414	0.5
167.01147	10.7
174.18753	0.5
185.02220	6.4
259.20615	0.6
277.21744	58.6
278.22073	6.2
279.23309	100.0
280.23682	4.7
283.11978	0.6
293.40137	0.5
445.23624	56.5
446.23929	6.6
447.25150	41.8
448.25455	2.3
715.39386	0.6
718.16510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	4.7
72.31418	1.0
81.82662	1.0
85.02951	6.6
87.00885	1.3
89.02448	3.8
93.19042	0.9
95.01349	3.0
95.48178	1.0
98.22680	3.5
99.30698	0.9
101.02468	1.0
105.03487	1.3
113.02460	10.2
117.03465	2.2
131.03488	2.3
132.02165	3.5
133.02975	50.4
134.03702	2.2
135.04556	17.6
161.02466	100.0
162.02765	3.2
179.03505	7.4
181.32008	1.0
229.03630	1.0
252.58705	1.1
518.53546	1.1
537.63269	1.1
663.95630	1.2
732.28131	1.4
816.42200	1.1
894.31378	38.6
895.32196	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	894.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31948	40.1
62.98514	49.4
63.81204	40.4
64.83443	45.3
67.04534	38.5
70.63313	100.0
83.68483	46.5
117.03776	52.4
131.77687	45.9
183.40373	50.0
204.53053	56.2
219.07013	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.7
69.38269	1.5
71.01390	8.4
73.02947	1.6
79.01215	0.5
83.01395	0.8
85.02956	3.8
87.00882	1.8
89.02455	5.4
89.03983	1.4
95.01382	0.9
97.02937	1.3
98.22581	1.0
99.00867	0.5
101.02441	5.4
109.02959	0.7
113.02455	4.9
117.03472	2.3
119.03511	2.0
122.03767	0.4
125.02418	2.5
127.04031	1.3
129.01953	0.5
131.03638	0.6
132.02182	31.3
133.02942	1.2
134.03754	43.1
135.04541	0.9
137.02443	0.7
137.06067	0.7
143.03491	0.5
149.06110	4.0
152.04785	1.8
160.01669	99.2
161.02187	2.2
161.04575	1.0
167.07167	1.3
167.37965	0.4
175.04013	100.0
176.04379	1.4
178.02737	3.3
179.05635	0.7
193.05063	30.9
194.05316	0.5
203.05643	0.5
221.06630	1.1
275.09445	0.6
377.38712	0.4
399.61362	0.5
473.16528	2.9
491.17648	2.7
533.18860	0.7
601.21851	1.1
619.22107	1.0
637.23059	0.9
661.23846	2.9
667.22394	5.9
679.24402	2.6
709.23279	0.9
721.25427	3.2
777.26294	1.0
837.29486	1.0
855.29596	5.1
886.48969	0.6
897.30396	20.4
898.31183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36058	0.7
71.01396	7.9
71.38885	0.8
72.47786	0.7
73.02952	1.8
75.92587	0.7
83.43324	0.6
84.02230	0.7
85.02961	4.9
87.00893	2.2
89.02457	6.9
96.96002	0.7
97.02953	0.9
101.02467	4.7
103.69500	0.7
113.02459	4.9
117.03490	2.3
119.03510	2.1
119.81815	0.7
125.02454	2.4
127.03992	1.7
129.07469	0.6
131.03542	1.1
132.02190	28.4
133.02928	1.0
133.54158	0.6
134.03760	31.8
135.04547	1.0
137.02486	0.6
139.03944	0.8
149.06125	2.7
152.04805	1.4
160.01674	90.5
161.02354	2.3
161.04568	1.3
167.07164	1.9
175.04019	100.0
176.04349	1.9
178.02748	2.2
179.03409	1.2
179.05600	0.9
191.01880	0.9
193.05081	26.4
201.84044	0.6
221.06786	0.8
252.84349	0.6
399.38113	0.9
473.16965	1.6
491.17905	2.5
601.21674	1.2
619.22754	2.1
661.23352	3.7
667.22894	1.4
679.24634	4.6
703.24841	1.3
721.26440	3.7
855.29419	6.0
897.30457	22.1
898.31598	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	897.3043
Annotation	Glycyrrhizinate dipotassium
Peak:m/z	Relative Intensity
69.03444	0.6
69.16612	1.5
69.17025	0.7
71.01389	8.5
72.99303	0.5
73.02958	1.6
81.03436	0.4
83.01381	0.7
85.02956	3.3
86.36633	0.3
87.00862	1.8
89.02454	6.1
89.03989	1.5
97.02962	1.3
98.21902	0.9
101.02451	4.7
104.02686	0.6
109.02941	0.8
113.02456	4.5
117.03478	3.2
118.53777	0.3
119.03545	2.3
121.02987	0.4
122.03749	0.5
125.02467	2.2
127.04015	0.6
131.03468	0.8
132.02187	29.6
133.02957	0.9
134.03752	43.1
135.04514	0.4
137.02437	0.4
137.06094	1.0
139.04083	0.5
143.03575	0.7
149.06108	4.2
152.04802	1.6
160.01672	93.9
161.02388	1.9
161.04594	1.2
165.37941	0.3
167.07162	1.2
175.04016	100.0
176.04404	1.2
178.02725	2.7
179.05624	0.7
192.20592	0.4
193.05074	30.0
203.05682	0.5
221.06651	1.0
235.06017	0.5
266.02545	0.3
473.16571	3.3
491.17801	2.6
533.19037	0.6
566.91016	0.5
601.21216	0.8
619.22443	1.2
637.23718	0.6
661.23682	2.1
667.22583	5.7
679.24377	3.0
703.24426	1.0
709.23206	0.8
721.25409	2.5
777.26007	1.1
837.27740	0.8
855.29559	4.8
897.30414	16.8
898.30603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01978	4.5
71.02505	8.6
73.04070	6.1
84.05599	2.6
87.05637	5.3
95.02525	3.0
97.04093	4.5
99.02036	6.4
111.02057	5.3
113.03571	4.8
113.07182	4.7
116.05127	2.9
118.06671	2.9
125.76164	2.9
128.04706	6.6
158.06136	9.6
160.07690	3.6
185.07237	4.0
186.05612	6.1
196.10909	8.1
199.08838	5.2
203.08264	30.3
220.10905	6.8
244.11168	17.8
256.10944	8.3
256.22046	2.7
267.45044	2.8
373.17041	3.0
434.02737	2.8
471.67242	3.0
506.64059	2.8
592.28876	6.7
617.09198	3.6
649.26971	3.2
652.29321	25.7
853.37164	100.0
854.37701	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	898.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87128	0.6
65.99841	0.9
66.03481	1.5
67.61665	0.6
68.39803	0.6
70.42805	0.6
71.02525	2.8
73.04071	9.2
74.02459	0.5
83.02525	1.0
84.00893	3.7
84.04580	0.7
87.05648	2.7
91.05559	0.9
97.04073	1.7
98.22713	1.5
99.01997	7.4
101.70982	0.6
109.04082	2.2
110.06158	0.8
111.02013	2.0
111.04358	0.6
113.03570	2.3
113.07225	4.9
114.05608	1.3
115.08764	1.5
116.05095	3.1
118.06658	0.7
118.22374	0.6
123.05676	0.6
124.05196	1.8
125.03548	2.4
125.07198	2.8
126.05598	2.2
126.06726	1.3
127.05119	1.6
127.08798	0.9
128.04645	0.9
135.02023	1.3
136.03989	0.7
137.07164	0.9
138.05585	1.5
139.05156	2.0
139.08873	0.8
141.06703	2.4
141.10345	0.9
142.06563	0.7
144.07802	2.3
146.06122	2.1
151.08765	1.6
152.08270	2.7
153.06711	72.7
154.07051	1.5
155.08255	1.9
158.06100	2.3
160.07695	1.6
163.05135	4.1
165.06674	1.2
167.08224	0.8
168.11386	1.8
169.09846	2.1
170.09360	24.0
179.04707	0.8
182.12970	1.9
185.07198	3.2
186.05618	3.3
186.12491	2.6
193.09808	0.6
199.08777	2.7
203.08272	11.3
209.10457	0.8
210.12357	0.9
212.10278	0.7
213.10309	0.9
220.10916	2.6
224.14023	0.7
225.06689	0.8
225.13509	1.0
226.11929	0.7
242.09320	1.9
243.14635	0.9
252.13538	13.0
256.11008	4.1
262.11981	0.7
267.14587	0.8
273.13602	1.9
274.11990	1.9
278.11252	0.8
288.13556	2.5
291.14709	1.1
299.15103	1.0
317.16455	1.0
319.73361	0.7
323.17276	7.1
323.20822	1.1
349.18823	0.8
349.47141	0.7
356.17075	0.9
374.18359	6.1
380.19403	3.3
394.24393	1.0
463.23196	0.9
472.30420	0.6
477.24557	2.0
494.27039	0.7
510.23505	2.6
511.23431	0.8
532.27167	0.6
542.27344	0.7
623.33105	0.9
663.33105	1.1
681.33594	40.4
682.33911	4.3
792.39752	1.2
796.06500	0.8
810.39520	100.0
811.39850	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	898.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02477	3.9
73.04070	9.3
74.30870	2.3
79.31340	2.2
84.00903	4.6
91.29184	2.3
98.34995	2.9
99.02023	7.5
107.04707	2.6
111.02001	3.7
113.07231	7.1
125.03580	2.9
125.07219	4.5
136.04025	2.6
139.05194	3.7
151.08769	2.6
153.05540	4.4
153.06717	67.9
154.06950	3.3
158.06151	2.9
160.07765	4.0
161.02493	5.3
163.05074	3.0
170.09395	23.5
177.30716	2.9
186.12567	2.3
203.08307	11.8
242.09216	2.9
252.13629	13.1
256.10873	2.8
273.13632	3.0
274.12015	2.9
298.05481	2.3
323.17169	5.3
356.17383	2.7
362.54385	2.7
374.18076	5.2
510.22873	4.0
681.33575	44.9
810.39581	100.0
811.39569	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	898.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20137	1.4
71.15807	1.5
78.95916	22.2
110.98543	5.1
140.01195	4.4
152.99556	1.9
167.01190	2.8
185.02339	2.3
196.03827	7.9
255.23314	100.0
256.23645	3.6
277.21738	46.9
445.23621	30.2
446.23892	1.6
452.27829	82.0
453.28247	2.9
471.06134	1.2
545.65936	1.6
612.54120	1.6
672.51666	1.3
702.13055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	3.5
71.66100	0.6
85.02957	3.0
87.00907	0.7
89.02459	1.8
89.03983	0.8
95.01398	0.7
98.21822	1.2
98.63723	0.7
107.05086	0.7
108.02199	0.6
109.02966	1.5
109.48459	0.6
109.65224	0.7
113.02466	6.4
117.03461	0.9
123.04528	5.6
131.03523	1.2
132.02197	1.5
133.02968	28.3
134.03796	4.3
135.04536	97.4
136.04855	2.0
149.02470	1.1
150.03236	6.3
151.04010	13.8
161.02458	68.4
162.02808	1.8
179.03511	100.0
180.03836	2.7
185.08195	1.2
191.05519	1.0
193.58360	0.7
220.88153	0.7
346.27615	0.7
347.13492	1.6
386.55878	0.8
469.20505	0.7
475.14368	0.9
548.06921	0.7
578.45319	0.7
591.19678	3.1
619.18945	12.6
621.18823	0.9
753.22522	73.1
754.22882	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	899.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44648	1.8
71.01383	3.6
83.01412	0.5
85.02966	2.8
87.00894	0.9
89.02467	1.8
90.53252	0.4
95.01409	0.9
101.02496	0.9
103.99670	0.5
105.03462	0.7
107.05091	1.5
109.02959	0.8
113.02448	5.6
117.03509	0.6
121.02982	0.6
123.04543	6.6
131.03555	1.3
132.02185	1.5
133.02974	27.2
134.03781	5.1
135.04539	97.7
136.04822	2.9
137.02519	0.5
149.02403	1.1
149.04482	0.5
150.03261	5.5
151.04019	10.8
154.89781	0.5
161.02458	60.2
162.02798	2.1
163.04050	0.7
166.45392	0.5
175.03978	0.6
179.03513	100.0
180.03923	3.2
191.05641	1.0
203.03615	0.5
233.04388	0.6
238.05104	0.6
315.42780	0.4
409.66721	0.5
510.83359	0.6
591.19293	2.7
619.18817	11.1
620.19147	0.8
622.19574	0.6
753.22504	60.6
754.22858	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	899.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17516	0.1
79.95733	6.6
80.96532	0.1
85.02965	0.1
113.02493	0.1
124.87222	0.1
133.02982	0.5
134.03741	0.1
135.04547	0.4
157.06599	13.6
158.06876	0.2
161.02469	1.0
179.03511	0.2
221.02785	100.0
222.03078	2.2
379.71530	0.1
733.24561	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	900.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14270	0.8
69.14693	1.0
71.01389	5.6
73.02951	0.6
77.28663	0.2
85.02963	4.7
86.00114	0.5
87.00888	1.2
89.02452	2.3
89.03999	0.3
95.01407	1.7
95.05035	0.3
101.02459	1.6
104.82597	0.3
105.03471	1.4
105.36758	0.3
109.02965	0.3
113.02460	7.1
117.03480	1.9
123.04553	0.6
127.04055	0.3
131.03529	1.5
132.02182	3.6
133.02968	51.1
134.03822	1.9
135.03497	0.6
135.04530	11.1
159.03285	0.5
161.02458	100.0
162.02803	2.3
174.05478	0.3
179.03522	4.3
191.05777	0.4
260.04654	0.3
606.21802	0.6
644.47809	0.3
738.25952	2.6
768.24384	0.5
877.79883	0.5
878.29529	0.4
878.79797	0.4
900.29437	27.1
901.30115	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	900.294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	5.6
71.04951	0.5
73.02953	0.7
77.03976	0.6
80.01197	0.4
83.01392	0.5
85.02966	5.4
87.00891	1.0
89.02452	2.6
89.03974	0.7
93.73798	0.3
95.01394	1.7
95.05058	0.4
101.02451	1.3
105.03455	1.4
107.05061	0.4
113.02460	6.5
117.03478	2.4
119.03542	0.5
120.46776	0.3
123.04531	0.5
127.82963	0.4
131.03535	1.2
132.02171	3.9
133.02971	54.1
134.03801	2.1
135.03491	0.6
135.04544	11.5
159.03178	0.4
160.01591	0.5
161.02457	100.0
162.02797	2.1
179.03508	5.1
191.05696	0.6
192.06760	0.5
193.05019	0.4
226.29202	0.4
233.04543	0.4
300.98169	0.5
473.18137	0.4
544.90717	0.4
606.22076	0.8
738.26599	3.0
739.27087	0.4
768.25098	0.5
770.24738	0.7
877.25922	0.6
900.29352	33.7
901.29926	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	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	22.9
71.05010	2.2
73.02954	3.1
85.02963	6.2
87.00896	2.2
89.02450	9.6
97.02933	5.2
97.06586	1.9
99.00894	15.0
101.02440	10.9
113.02463	4.5
119.03548	3.6
125.02480	2.9
125.09714	5.1
161.04550	4.5
163.11356	8.0
171.10336	2.8
181.12360	15.7
190.71645	1.7
198.61609	1.7
199.13435	15.4
201.11343	2.4
207.10287	33.6
221.06670	3.3
225.11363	49.5
243.12460	17.0
277.21786	25.7
277.34973	1.9
308.80637	2.2
338.89331	1.9
397.13373	9.9
414.26028	1.8
415.14154	1.8
601.64954	1.9
605.24719	2.3
623.25403	7.7
781.62366	2.1
795.46063	2.5
883.47205	13.8
901.48065	100.0
902.48663	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	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	19.6
71.40020	1.9
80.96542	3.4
85.02932	3.9
87.00888	2.9
89.02454	10.0
94.49224	2.3
95.01447	2.5
97.02969	4.6
99.00878	11.3
101.02442	9.1
102.30764	2.1
104.07905	2.2
113.02438	3.4
125.02444	3.2
125.09715	4.0
163.11327	6.1
165.09129	2.6
171.10303	4.1
181.12320	9.7
199.13443	6.8
201.11320	4.6
207.10278	30.8
225.11340	34.1
235.08145	2.8
243.12386	6.6
277.21747	37.2
397.13586	9.2
532.39856	2.4
605.24426	2.9
623.26013	2.8
661.43079	3.3
676.70056	2.4
745.88892	2.3
883.47424	12.1
901.48035	100.0
902.48175	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	902.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17229	5.5
69.17632	3.4
71.01385	13.3
72.00986	1.4
72.90620	1.4
72.99304	3.3
73.02963	2.0
74.58147	1.4
79.72057	1.5
85.02962	14.4
87.00882	3.8
89.02447	5.2
89.03948	2.9
95.01362	3.0
101.02441	2.8
113.02455	15.6
117.03465	5.5
119.35823	1.5
131.03505	7.7
132.02185	13.3
133.02977	39.2
134.03769	65.2
135.04567	18.0
136.04919	1.5
137.02464	1.7
143.03445	2.1
149.04565	5.6
149.06082	7.4
160.01680	29.7
161.02452	74.7
162.02820	8.5
175.04005	21.5
178.02692	6.4
179.03497	11.3
182.40657	1.4
191.05602	4.3
193.05067	100.0
225.04335	4.5
233.06769	2.6
253.03856	11.5
254.04486	3.9
267.05304	6.2
268.06143	12.3
294.37744	1.6
327.80273	1.4
369.13834	1.6
510.61716	1.5
902.27667	52.7
903.27808	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	903.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05321	3.5
70.11987	6.6
73.04070	8.1
96.00917	22.6
98.02455	4.0
98.22652	4.9
99.02018	6.2
107.77951	3.0
109.04060	7.3
110.02469	3.9
112.62754	3.4
113.07229	13.0
116.05094	4.5
125.07174	4.3
127.05158	6.3
133.02992	8.2
135.04611	3.4
141.06746	11.2
146.06059	8.8
152.08325	7.1
158.06151	4.4
161.02469	19.2
162.13486	3.1
163.08723	3.6
167.08250	8.3
167.11856	4.1
170.09369	50.7
179.03575	7.4
186.05621	9.5
195.11385	4.5
195.63988	3.4
197.15724	3.3
203.08257	8.9
212.14072	29.7
213.10326	3.7
223.11931	6.6
241.13065	9.7
274.11899	3.9
298.15308	6.4
299.15192	14.3
341.19754	7.2
359.20947	15.1
648.08887	4.4
770.39795	46.1
771.41498	5.4
779.70337	3.4
791.26855	4.5
849.40607	19.9
867.41656	100.0
868.41656	8.9
903.40112	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	904.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96245	11.3
64.26251	0.9
64.65928	1.1
64.97038	6.5
71.01386	8.9
71.36146	1.0
71.40854	1.2
72.99321	2.5
73.02965	2.4
73.06001	1.1
85.02953	10.6
87.00880	2.4
89.02460	2.3
90.98589	3.0
95.01401	3.5
101.02468	2.3
107.05047	1.6
109.02959	1.8
111.00917	1.4
113.02460	13.0
113.33207	1.0
116.92887	1.0
122.03755	2.6
123.04530	2.0
131.03493	3.0
132.02206	2.4
133.02968	44.0
134.03769	16.4
135.04541	100.0
136.04852	1.3
137.02513	2.2
143.03487	1.0
147.93152	1.1
149.02419	2.0
149.06033	1.6
150.02290	23.0
150.03293	3.3
151.02925	1.3
151.03981	6.5
161.02461	81.7
161.06059	5.7
162.02744	2.0
170.95364	1.1
179.03517	96.6
191.05688	1.2
197.99866	1.9
217.94247	1.2
225.02286	1.9
228.78024	1.0
243.03488	1.9
260.65259	0.9
284.06039	16.4
302.06851	1.8
380.46414	1.1
454.49612	1.1
619.18842	3.7
718.24042	1.5
720.24579	1.3
742.22339	2.1
753.22522	35.0
754.23193	2.0
774.21564	1.9
824.08215	1.2
904.25568	79.5
905.25714	3.7
907.83417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.425
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03482	2.5
71.02504	3.8
73.04078	5.9
80.55221	1.1
83.02520	1.8
84.00894	2.0
88.76572	1.4
90.61668	1.1
93.03437	1.7
95.02521	3.4
98.22705	2.9
99.02016	15.3
99.05650	2.2
110.03560	1.4
111.01979	4.0
112.05141	2.3
113.03561	3.8
113.07262	6.1
119.05042	19.9
122.07867	1.2
125.03565	1.7
126.32017	1.1
128.04657	2.2
130.06235	8.6
133.02901	1.3
139.05157	3.2
140.07179	2.6
146.06117	9.4
150.05568	1.5
153.06775	1.6
156.04211	2.0
156.07884	1.5
156.97246	1.4
161.02522	1.6
163.08752	1.5
165.06685	1.5
167.48882	1.2
169.04420	1.6
169.09821	2.9
170.09283	1.5
173.03917	2.9
179.08246	1.9
185.07188	6.1
186.05658	8.9
196.10965	3.0
199.08830	1.7
203.08286	4.2
204.08290	1.3
204.64590	1.3
209.12941	13.2
216.11378	2.1
219.07742	1.7
220.10864	1.9
225.06371	1.9
229.28230	1.2
236.10335	3.7
244.11116	6.1
255.15111	1.6
259.11975	1.5
338.48386	1.4
341.16467	2.3
358.15570	2.8
464.19720	1.4
492.05423	1.6
584.31958	3.6
622.89465	1.4
650.33527	1.3
708.32990	1.6
755.35870	3.0
861.39783	100.0
862.39429	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	907.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	1.9
69.31747	7.9
71.01406	1.7
81.12363	1.8
83.01410	3.9
85.02958	100.0
97.77814	1.7
98.21856	3.8
101.02510	2.1
111.00906	12.6
121.02976	9.2
129.01956	45.2
131.37328	1.9
134.03761	8.2
147.03043	10.1
153.05591	8.7
160.01767	1.8
173.00935	18.7
175.04033	5.6
178.02698	2.3
182.02115	2.4
183.17494	2.2
191.01974	13.4
193.05064	10.8
196.63483	1.9
197.04573	23.9
209.03131	5.4
224.94179	2.0
240.73694	1.9
265.06958	4.5
323.07819	4.7
327.07233	5.1
341.08795	2.1
367.06689	4.9
371.06253	16.7
385.07727	2.3
389.07336	5.4
565.11719	9.6
708.31647	2.4
727.84686	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	907.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37904	7.4
71.01392	2.5
73.02979	1.4
83.01384	5.1
85.02955	100.0
107.98125	1.4
111.00889	12.7
113.30027	1.6
121.02969	14.8
129.01952	51.6
134.03755	13.4
147.03058	9.0
149.06120	3.0
153.05608	9.0
160.01665	3.4
173.00926	23.9
175.04033	6.3
191.02020	7.3
193.05081	9.6
197.04572	34.5
207.03105	1.5
209.03149	1.9
231.78181	1.5
261.07709	4.3
269.73376	1.4
291.58914	1.5
323.07800	8.3
327.07156	4.3
367.06793	8.1
371.06213	28.7
385.07632	1.9
389.07291	6.0
399.03745	1.8
565.12048	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	907.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35080	3.9
64.19513	3.8
70.07297	9.0
71.01398	17.4
85.02961	12.1
89.02428	4.8
89.10867	3.5
96.96015	5.1
106.40644	3.5
111.50882	3.7
113.02451	6.4
115.00372	11.1
121.64383	4.0
122.06123	16.9
133.02965	13.0
135.04521	13.7
149.02351	5.5
161.02457	14.5
179.03510	16.8
193.05225	4.1
198.98477	4.0
213.10403	24.2
215.55110	3.8
224.29254	3.5
239.11928	12.8
241.13489	12.0
243.27843	3.9
251.11841	5.3
253.69885	3.7
267.11392	5.4
285.12466	42.2
286.12903	4.8
325.12000	4.6
356.14053	11.4
370.15558	11.5
371.16248	5.1
384.13177	4.7
391.53427	4.3
398.15063	14.8
400.79449	4.0
412.16562	10.1
413.17163	5.2
493.22226	6.7
535.23749	12.6
561.21289	8.1
579.22461	28.9
611.25250	33.8
637.87244	4.6
714.65045	4.8
715.30365	4.6
759.28851	100.0
760.28125	7.1
772.45422	4.9
791.31610	86.0
851.28583	7.0
944.77100	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	908.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.2
71.40279	1.0
72.99298	0.8
73.02934	0.8
74.80977	0.7
77.63071	0.8
85.02941	5.9
87.00893	1.9
89.02459	2.1
93.03450	1.7
95.01405	2.1
95.05040	3.2
96.96006	1.0
101.02395	1.0
101.85323	0.8
103.01907	1.2
105.03461	8.2
109.02972	2.8
113.02463	8.2
117.03453	1.0
121.02964	2.4
123.04539	4.2
131.01402	2.7
131.03531	2.6
132.02190	16.0
133.02974	100.0
134.03641	0.8
135.04553	11.3
139.04045	2.8
147.04521	1.3
148.01735	1.0
149.02495	4.1
149.07239	0.9
151.04059	1.1
159.04530	1.1
161.02458	29.4
162.02699	0.9
173.06044	0.7
175.04004	1.0
176.01190	1.8
176.03545	13.8
176.04997	1.2
176.30002	0.8
177.01945	6.9
179.03482	6.4
189.05574	1.2
191.05592	1.1
203.03546	1.5
218.09444	1.5
291.05029	1.6
360.14755	0.8
474.37433	0.8
572.18256	0.9
718.24677	1.9
848.27448	65.8
849.27753	5.1
850.28632	1.4
854.83319	0.9
908.30322	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	908.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25406	1.6
69.19453	8.1
71.01389	25.7
73.02943	2.4
78.95914	3.1
83.01399	2.5
85.02964	29.6
87.00880	6.2
89.02455	10.8
95.01406	10.5
101.02460	7.1
105.03411	1.5
113.02464	55.7
119.03487	1.8
121.03033	1.5
131.03499	10.9
132.02200	4.2
133.02971	59.8
134.03693	5.8
135.04538	38.3
147.05669	4.4
157.04063	3.1
159.05659	13.9
161.02464	100.0
161.07187	4.2
162.02751	3.0
176.40157	1.5
179.03503	18.2
191.05579	3.8
204.26254	1.6
214.09898	2.1
226.09961	1.7
244.10883	4.3
270.08804	7.6
348.73615	2.0
401.80872	1.5
445.43280	1.8
746.26428	13.1
848.27234	1.9
890.28290	5.0
908.29486	96.2
909.29761	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	909.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93876	0.6
71.00528	0.9
71.01388	8.2
71.50903	0.7
72.99326	0.7
73.02944	0.9
83.01424	0.7
85.02959	2.3
89.02438	2.3
96.96017	1.0
101.02442	2.0
113.02432	1.0
115.00365	2.9
120.08193	9.0
121.03020	0.6
121.05351	1.3
122.06133	20.3
133.01427	1.4
133.02940	1.6
134.06094	0.9
135.04482	2.2
144.04599	0.8
161.02431	3.0
161.04648	1.4
164.07266	0.7
174.05638	1.4
179.03448	2.2
186.92508	0.6
203.05884	1.6
204.06642	0.7
205.12312	1.2
207.39429	0.6
213.10492	0.9
223.08765	0.8
225.14001	1.3
235.69827	0.7
236.09567	2.3
237.10320	2.6
238.10924	0.6
239.11887	1.5
241.13408	0.8
249.10393	1.6
250.11092	2.2
251.11916	12.9
252.12383	0.7
263.08267	2.4
263.11902	2.3
264.09003	2.1
265.09778	2.6
265.13397	2.6
275.11838	0.8
276.08990	1.9
277.09821	7.1
278.10623	18.6
279.11365	1.3
283.10660	1.0
285.12485	0.7
291.11484	7.9
292.12177	7.3
293.12985	25.3
294.13467	0.9
295.10812	1.3
296.11920	0.8
319.10886	2.3
324.11133	1.5
325.11945	1.5
325.15457	5.0
335.10355	1.7
336.11203	3.6
337.11914	12.6
337.18393	0.7
353.10403	0.7
358.15521	1.3
369.14642	2.4
370.19308	1.0
372.17075	5.2
373.18018	2.5
374.18665	2.7
386.15042	1.8
399.15775	0.7
400.16641	1.8
402.18500	1.0
414.18222	5.7
415.18967	3.2
418.17810	8.4
444.15521	0.9
458.17239	2.5
459.18073	6.2
490.19952	2.1
495.24152	1.3
499.28757	0.8
508.20731	1.0
537.25201	1.2
581.24023	4.1
599.25012	1.8
613.26776	9.6
631.27826	28.7
632.28204	1.3
639.24115	1.5
671.27179	3.7
761.30353	3.3
793.33099	100.0
794.33441	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	909.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16575	6.2
70.48645	1.2
71.01386	15.5
76.98155	1.1
85.03000	1.5
89.02480	2.4
95.01434	1.4
101.02441	1.8
107.03802	1.6
115.00384	17.2
120.08184	7.2
121.05370	1.6
122.06131	26.6
133.01450	5.5
144.04568	2.3
157.02127	1.3
157.71025	1.3
164.92233	1.1
174.05653	2.1
203.05965	2.6
236.09532	3.9
237.10344	3.4
241.13464	1.1
249.10429	2.8
249.13826	1.4
250.11102	3.0
251.11906	13.4
263.08313	1.5
263.11789	1.5
264.09048	3.0
265.13547	3.8
276.09137	2.4
277.09848	8.7
278.10645	10.5
279.11285	1.9
291.11435	10.2
292.12106	12.5
293.12964	15.9
295.10849	1.6
298.86282	1.4
325.12064	1.7
335.10440	4.4
336.11206	5.5
337.11972	6.7
358.15833	2.0
359.16400	2.0
369.14398	1.6
372.17346	5.8
373.17807	4.2
374.18698	2.4
386.14929	2.5
400.16794	2.8
414.18240	9.9
415.19025	3.3
418.17703	7.4
441.16711	1.8
458.17090	4.5
459.18094	12.1
460.18515	2.2
467.92337	1.3
490.19864	6.4
495.23990	4.3
537.25513	3.3
581.24152	10.5
613.26715	40.2
638.23541	1.5
639.24170	2.7
661.33832	2.4
670.26086	2.9
671.27002	3.2
703.35614	2.1
761.30487	29.0
793.33087	100.0
794.33081	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	909.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53957	0.5
69.13384	1.9
69.13792	1.3
71.01397	2.8
73.02956	0.7
83.88873	0.5
84.45933	0.5
85.02965	1.2
89.02448	2.9
95.01417	0.7
101.02478	2.1
105.03487	0.8
113.02448	1.0
116.05615	0.5
117.03473	0.6
123.04542	0.7
131.06041	0.5
132.02211	1.6
133.02968	32.1
134.03697	0.9
135.04529	8.3
137.02393	0.7
151.91214	0.6
161.02455	100.0
162.02774	1.2
179.03555	3.6
202.51070	0.5
301.21774	1.0
302.56622	0.6
307.96375	0.6
319.22791	4.8
321.24362	1.0
323.07672	0.7
325.90976	0.6
341.81717	0.6
499.29166	21.3
500.29776	1.0
585.25531	0.6
661.32367	68.3
662.32880	4.0
865.38538	8.7
866.38403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53434	0.6
67.79548	0.7
69.12090	4.1
71.01386	9.0
73.02936	1.3
85.02937	1.9
89.02454	4.1
98.21892	1.5
101.02451	2.7
113.02453	2.3
115.00378	5.8
120.08203	2.9
122.06128	8.8
133.01405	2.2
135.04486	1.3
153.26221	0.9
161.02435	1.5
179.03488	0.9
179.05621	1.1
193.05035	1.7
221.15416	0.7
236.09668	1.0
236.81161	0.6
237.10324	1.1
241.13435	0.7
249.14227	0.8
251.11873	4.9
254.24165	0.7
265.13434	0.7
277.09833	3.0
278.10611	2.0
278.71994	0.7
279.11380	1.0
291.11566	3.5
292.12192	3.3
293.12854	4.0
299.86246	0.7
301.21826	1.3
319.22757	17.9
336.10925	2.0
337.12073	1.6
337.23938	4.8
358.15497	0.9
372.17123	3.2
373.17816	1.8
374.18735	1.2
386.15173	1.0
400.16293	0.9
414.18262	3.9
415.18759	0.8
418.17804	2.3
458.17514	0.9
459.17978	4.0
481.28351	4.4
490.19653	1.0
495.24213	1.0
499.29172	12.9
537.24695	1.0
541.30212	100.0
542.30420	4.5
563.23187	0.9
581.24139	3.0
583.31122	1.6
613.26709	8.2
703.35645	8.7
761.30597	9.1
762.31854	1.0
793.33026	25.8
794.33185	2.0
834.20502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53434	0.6
67.79548	0.7
69.12090	4.1
71.01386	9.0
73.02936	1.3
85.02937	1.9
89.02454	4.1
98.21892	1.5
101.02451	2.7
113.02453	2.3
115.00378	5.8
120.08203	2.9
122.06128	8.8
133.01405	2.2
135.04486	1.3
153.26221	0.9
161.02435	1.5
179.03488	0.9
179.05621	1.1
193.05035	1.7
221.15416	0.7
236.09668	1.0
236.81161	0.6
237.10324	1.1
241.13435	0.7
249.14227	0.8
251.11873	4.9
254.24165	0.7
265.13434	0.7
277.09833	3.0
278.10611	2.0
278.71994	0.7
279.11380	1.0
291.11566	3.5
292.12192	3.3
293.12854	4.0
299.86246	0.7
301.21826	1.3
319.22757	17.9
336.10925	2.0
337.12073	1.6
337.23938	4.8
358.15497	0.9
372.17123	3.2
373.17816	1.8
374.18735	1.2
386.15173	1.0
400.16293	0.9
414.18262	3.9
415.18759	0.8
418.17804	2.3
458.17514	0.9
459.17978	4.0
481.28351	4.4
490.19653	1.0
495.24213	1.0
499.29172	12.9
537.24695	1.0
541.30212	100.0
542.30420	4.5
563.23187	0.9
581.24139	3.0
583.31122	1.6
613.26709	8.2
703.35645	8.7
761.30597	9.1
762.31854	1.0
793.33026	25.8
794.33185	2.0
834.20502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27955	1.1
69.11082	7.8
71.01385	19.4
73.02952	7.6
83.01393	4.5
84.10127	1.2
85.02948	9.6
87.00875	4.0
89.02477	8.5
96.95993	5.1
98.22626	2.7
99.00901	2.2
99.95295	1.3
101.02442	11.2
101.41971	1.3
111.00941	1.4
113.02484	7.9
115.00391	1.7
119.03521	1.9
122.06119	2.9
125.02445	1.6
131.03522	3.8
133.01433	1.5
133.02960	2.8
134.03694	2.0
135.04553	3.0
159.03108	1.5
161.02448	5.2
161.04570	3.8
172.29475	1.4
179.03462	2.7
212.33261	1.4
221.06696	3.5
239.94482	1.3
240.05136	1.2
241.49672	1.2
277.09784	3.2
278.10568	3.6
279.11414	1.4
293.12894	3.5
301.21768	2.4
319.22852	9.1
337.11905	2.0
337.24124	2.4
372.17316	1.3
414.18341	1.8
481.28162	1.6
499.28934	10.3
502.00211	1.4
537.24432	1.4
541.30450	6.5
581.23962	2.9
613.26831	3.5
631.28040	4.0
643.33063	2.6
658.43188	1.4
661.34473	71.1
662.34637	2.5
703.35553	100.0
704.35516	6.2
761.30273	2.9
793.33032	20.3
794.33508	2.9
849.54413	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	911.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65215	1.0
69.65607	1.3
71.01386	8.9
72.66139	0.6
73.02963	0.8
83.01390	0.7
85.02956	11.5
87.00896	1.7
89.02451	2.7
95.01405	3.9
101.02450	1.2
105.03467	1.1
105.58023	0.5
107.05048	1.1
109.02926	0.9
113.02464	15.2
113.31551	0.6
115.01968	0.7
117.03459	1.2
123.04509	0.9
131.03479	2.9
132.02121	2.7
133.02972	50.5
134.03766	3.3
135.04538	45.2
136.04848	1.2
151.02229	0.9
161.02458	100.0
162.02832	1.7
163.02176	0.9
164.01833	1.1
165.02504	0.7
176.01768	6.0
179.03505	40.5
189.02536	1.5
190.03337	10.3
191.05611	0.8
192.04897	6.2
204.04892	5.9
204.69116	0.7
216.01215	1.2
218.02904	2.2
219.03554	1.7
220.04314	3.8
229.04573	0.6
247.05481	24.6
265.06445	1.2
271.34985	0.6
452.82437	0.7
705.21686	2.4
749.20801	6.7
851.13861	0.7
867.25159	10.9
868.24707	0.7
893.22717	0.8
911.24036	46.3
912.24640	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	911.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	5.1
76.59105	1.0
83.01439	1.2
85.02488	1.2
85.02960	14.7
87.00852	1.3
89.02457	2.6
93.46842	1.0
95.01391	1.8
107.05033	2.3
110.73909	0.9
111.00848	1.4
113.02439	9.5
117.03437	1.6
129.01929	1.9
131.03496	1.1
132.02156	2.7
133.02962	33.9
134.03751	8.1
135.04539	100.0
136.04874	1.9
161.02455	72.3
162.02806	1.0
163.04010	1.7
179.03513	63.4
180.03856	1.4
190.03281	4.4
191.01997	1.2
192.04893	3.6
193.05072	1.6
205.32875	1.3
233.28139	1.0
235.67989	1.1
247.05484	18.6
527.41541	1.2
705.21637	2.3
743.66864	1.3
749.20734	7.8
867.25128	8.1
911.23938	35.1
912.24664	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	913.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	6.0
71.39932	0.4
73.02950	0.5
73.71439	0.4
83.01392	0.6
85.02964	5.9
86.00102	0.5
87.00879	1.5
87.66589	0.4
89.02460	2.8
92.02522	0.4
95.01409	1.8
101.02449	1.7
105.03481	0.9
113.02462	9.5
114.39226	0.4
114.90525	0.4
117.03463	2.1
123.04556	0.8
125.02446	0.4
131.03488	2.6
132.02199	3.0
133.02971	45.1
134.03773	6.2
135.04541	13.8
149.04532	0.7
149.06125	0.9
149.07246	0.9
150.03250	0.7
151.04012	0.4
160.01633	1.3
161.02458	100.0
162.02792	1.4
175.04041	0.7
178.02710	1.0
179.03494	6.5
191.05717	0.9
193.05104	5.8
203.08418	0.4
218.09285	0.5
230.09349	0.9
233.06616	0.4
236.58086	0.3
256.20862	0.4
688.25769	1.1
767.23730	3.1
850.28876	48.0
851.29114	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	913.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05735	0.6
70.06039	0.5
71.01390	1.7
73.02958	1.4
85.02966	1.3
89.02441	0.8
91.05542	0.7
93.51482	0.4
98.22650	0.4
99.00887	2.9
101.02468	0.7
107.05041	1.7
109.02990	0.5
113.02463	1.3
117.03472	1.2
126.50591	0.4
127.66793	0.3
132.02165	0.5
133.02977	12.4
134.03763	8.4
135.04536	100.0
136.04875	1.7
161.02461	32.4
162.02751	0.8
179.03508	56.4
180.03842	1.1
185.11937	0.5
191.05699	0.4
208.80933	0.4
214.70497	0.4
275.17914	0.4
341.08807	2.4
399.47482	0.4
665.28430	0.9
707.29218	51.1
708.29303	3.0
869.34576	10.9
870.34021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	5.5
85.02953	5.4
89.02436	2.2
95.01408	2.1
101.02452	1.5
105.03475	1.3
113.02468	7.7
115.75344	0.8
117.03453	2.7
131.03531	1.9
132.02179	3.1
133.02972	47.7
134.03732	3.5
135.04541	12.0
161.02463	100.0
162.02805	2.1
167.37962	0.9
179.03502	5.8
269.11533	1.0
353.10400	1.3
482.81876	1.1
609.70355	1.1
914.30969	42.9
915.31482	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	914.31
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95924	3.1
70.88419	2.2
71.01384	8.8
72.67956	1.3
82.95424	100.0
83.01444	1.3
84.95126	1.7
85.02957	7.6
87.00899	2.2
89.02454	4.0
89.03993	2.7
91.55455	1.3
95.01413	3.1
101.02447	1.9
113.02474	11.0
117.03468	3.9
119.03516	1.8
131.03506	3.2
132.02188	23.5
132.72975	1.3
133.03001	3.0
134.03752	46.0
135.04536	2.8
137.02464	1.5
149.06102	4.5
160.01674	86.6
161.02463	7.4
175.04018	74.9
178.02649	2.6
179.03580	2.1
193.05077	26.3
252.45811	1.5
254.13626	1.4
364.58487	1.4
408.37317	1.3
417.19989	1.4
467.19693	1.4
522.19183	1.5
564.56116	1.5
720.24884	1.9
738.26007	6.6
782.27368	1.9
799.48236	5.8
914.30756	35.8
915.30597	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	914.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95927	3.9
68.39548	1.3
70.91017	1.7
70.91355	1.5
71.01389	10.6
73.02917	2.2
74.82411	1.7
82.02767	1.3
82.95424	100.0
85.02956	8.3
87.09664	1.5
88.98809	1.5
89.02449	3.7
89.03985	2.0
89.82284	1.3
95.01402	2.2
99.64338	1.4
101.02470	2.7
113.02454	12.3
117.03462	2.4
125.02421	1.3
131.03513	4.7
132.02185	25.7
133.02975	4.9
134.03755	35.1
135.04539	2.7
149.06062	3.6
160.01671	79.1
161.02472	9.0
165.35374	1.4
175.04016	73.9
178.02745	2.4
179.03471	2.9
191.05557	1.9
193.05070	28.0
227.90068	1.3
305.63370	1.6
333.07941	1.6
394.25726	1.5
508.00470	1.4
720.25208	2.7
738.26044	7.2
782.26263	3.1
799.48901	2.7
914.30914	29.2
915.31433	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	915.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43256	2.7
69.03458	4.8
71.01386	100.0
73.02950	58.7
83.01393	15.5
83.05036	5.6
85.02960	39.8
87.00874	3.2
89.02448	30.8
92.62446	2.5
95.01396	9.8
97.02999	2.5
99.00894	7.3
101.02451	69.5
113.02465	44.6
119.03516	8.9
125.02457	6.5
131.03531	6.8
133.02943	6.2
135.04550	10.0
143.03537	9.5
149.04587	10.2
159.03020	4.0
160.01611	2.7
161.02487	13.0
161.04549	39.4
165.05093	2.1
179.03552	7.1
179.05670	10.1
179.88576	2.6
193.05118	3.4
203.05647	19.5
209.15450	6.4
221.06738	4.3
311.42276	2.5
353.19818	2.3
371.20721	35.4
413.21838	76.2
754.69946	2.5
851.76337	2.8
915.32007	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	915.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.5
77.93310	0.4
83.10638	0.5
87.17702	0.5
107.01437	0.7
128.05783	0.5
148.01740	0.4
151.00354	2.6
151.01418	0.5
161.02568	0.6
163.00368	1.0
178.99863	2.9
190.02719	0.5
226.02769	3.1
227.03500	1.8
228.04382	0.4
240.26282	0.6
243.03003	9.2
254.02301	3.5
255.02968	4.0
271.02499	35.7
272.03094	1.7
300.02765	45.8
301.03506	7.5
463.08865	100.0
464.09445	3.6
734.85986	0.6
742.80713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.0
65.31591	0.3
69.61787	1.1
69.62158	0.8
83.01414	0.4
84.72260	0.3
85.02958	1.0
86.51289	0.3
98.22596	0.5
101.02448	0.4
107.01408	1.3
109.03031	0.4
121.02960	0.5
133.02982	1.1
151.00380	4.1
154.46222	0.4
155.05084	0.4
157.02975	0.6
161.02487	1.2
163.04018	0.3
169.01154	0.4
171.04552	0.7
175.04070	0.7
178.99908	1.5
179.03554	0.4
183.04498	0.5
187.04015	0.8
191.02054	0.5
199.04016	3.5
201.02005	1.0
203.03549	0.5
215.03467	2.1
226.02831	0.6
226.34172	0.4
227.03514	3.4
229.66179	0.4
230.53030	0.5
243.03003	5.7
254.02180	0.5
255.03030	5.0
271.02505	59.5
272.02847	2.0
274.02740	0.4
299.01996	100.0
300.02750	22.2
301.03510	6.2
340.94943	0.4
394.15213	0.4
462.08075	14.6
463.08563	1.0
471.65039	0.4
755.20441	24.2
756.20758	0.9
917.25812	38.2
918.25653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.9
69.27718	4.7
71.01395	9.4
73.02937	1.8
85.02958	2.9
86.51146	1.1
87.00845	1.6
89.02458	6.7
94.34772	0.9
97.02997	1.8
98.21889	1.6
101.02446	4.9
103.70070	0.9
113.02460	3.5
117.03492	1.5
119.03488	1.9
122.85217	1.1
123.04515	3.2
125.02473	3.4
131.03490	1.3
132.02173	2.9
133.02974	54.1
134.03722	1.3
135.04546	25.5
153.05603	2.5
161.02460	100.0
162.02798	1.8
179.03532	7.1
179.04843	1.2
221.06654	4.0
224.86719	0.9
244.23703	1.0
410.87354	0.9
477.16159	1.4
755.25989	10.1
866.44861	1.2
917.29401	42.5
918.29791	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	917.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47894	1.1
69.48275	1.3
71.01388	8.1
73.02946	0.7
83.01378	0.7
85.02951	2.5
87.00882	0.9
89.02454	7.7
95.01412	0.7
97.02946	0.7
101.02457	5.6
105.03453	0.7
109.60673	0.6
113.02457	4.1
117.03450	1.2
119.03509	1.9
123.04553	3.5
125.02483	2.4
131.03471	1.5
132.02191	2.1
133.02971	46.9
134.03719	1.6
135.04538	24.7
136.04887	0.5
143.03528	0.7
153.05559	3.1
161.02457	100.0
162.02808	0.8
179.03526	6.9
179.05600	1.1
191.05678	0.6
221.06741	2.6
265.41458	0.5
283.09192	0.5
300.02722	0.8
370.40280	0.5
459.15060	0.7
477.16501	1.0
504.27798	0.5
623.21472	0.9
755.25641	8.8
893.07605	0.8
917.29346	43.4
918.29559	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	917.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79659	0.5
69.74599	1.8
71.01390	8.8
71.05227	0.6
72.99304	0.5
73.02944	0.8
75.00919	0.5
81.86418	0.5
83.01394	0.6
85.02962	7.8
87.00861	0.9
89.02450	5.4
92.66043	0.6
95.01395	2.7
99.00899	0.7
101.02431	3.4
105.03448	1.1
107.05096	0.6
109.02975	0.9
113.01721	1.1
113.02454	14.7
116.21389	0.6
117.03451	1.1
119.03529	1.6
123.04512	3.4
127.04049	0.9
131.03467	0.9
132.02185	3.4
133.02968	52.5
134.03697	1.8
135.04538	32.6
136.04878	0.6
151.04053	0.7
153.05568	3.0
161.02455	100.0
162.02773	1.8
179.03517	8.0
260.59570	0.7
277.67624	0.6
300.02542	0.6
315.10794	4.9
461.16638	1.5
497.62085	0.5
542.33374	0.5
609.14209	0.9
755.25562	5.8
917.29358	50.6
918.29773	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	917.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45528	0.8
70.45861	1.2
71.01385	7.4
73.02953	0.7
85.02954	7.5
85.67027	0.6
89.02453	3.6
90.35072	0.5
95.01415	3.1
101.02455	1.9
103.70778	0.7
105.03467	0.7
106.58215	0.5
113.02456	13.0
117.03479	1.6
123.04543	2.2
131.03496	0.9
132.02199	3.1
133.02971	45.6
134.03722	2.0
135.04547	26.9
153.05597	1.3
160.01694	0.9
161.02461	100.0
162.02776	1.9
179.03484	7.7
191.05559	0.9
209.69569	0.5
269.58716	0.5
315.10934	1.6
366.52594	0.6
461.16510	3.7
593.20752	3.5
755.24200	25.3
756.24445	0.9
884.04413	0.7
917.29425	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	918.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10600	7.2
71.01395	6.5
72.91350	1.2
78.95881	2.1
85.02960	7.4
89.02435	4.8
93.03438	1.2
95.01379	3.0
95.05029	1.1
101.02458	2.1
101.31632	1.2
113.02451	12.8
117.03497	2.3
131.03493	2.3
132.02182	3.2
133.02975	42.6
134.03777	7.0
135.04543	16.2
160.01617	2.4
161.02461	100.0
162.02754	2.9
175.04028	2.9
179.03497	11.8
193.05057	2.4
562.86084	1.5
756.27130	4.5
784.26733	30.1
785.26678	1.7
855.31415	1.8
874.38544	2.3
900.29395	14.6
918.30450	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	7.0
77.44254	2.0
78.95933	2.0
85.02963	6.8
90.00571	2.0
95.01387	2.1
101.02454	2.3
104.02686	2.0
113.02458	12.6
131.03510	2.5
132.02119	4.2
133.02968	40.7
134.03709	5.7
135.04536	15.2
136.62254	1.9
160.01648	4.2
161.02454	100.0
162.02777	5.4
175.04041	4.0
179.03525	14.5
193.05070	3.4
200.17886	1.9
375.27563	1.9
409.15164	1.9
438.96124	2.1
490.18878	2.2
610.70807	2.1
611.95917	2.4
756.26929	3.7
784.26660	32.5
785.28125	3.0
874.37573	2.3
900.29639	15.1
918.29749	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	918.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51483	3.9
74.38240	1.8
75.65260	1.6
77.03371	1.7
77.56511	1.6
81.81247	1.6
83.63000	1.5
84.00920	1.6
85.04089	2.4
87.05661	3.6
99.02000	3.3
109.04099	2.4
112.32529	1.7
113.03577	4.2
113.07225	37.0
116.05062	5.7
116.34259	1.6
116.35102	1.5
118.06683	2.2
127.05176	4.0
131.05061	1.9
139.08791	4.3
144.07835	3.5
146.06148	11.7
153.06721	4.1
166.09816	2.0
167.08344	2.6
172.07668	2.5
174.05592	3.0
177.10390	2.8
184.10956	20.3
195.11426	15.8
200.07166	8.2
208.14528	3.5
212.14069	2.7
213.10379	2.3
217.09853	5.4
243.11409	4.1
256.10843	5.2
260.13959	5.5
270.16138	2.3
274.12003	9.0
291.18277	2.9
301.41949	1.8
309.19421	2.2
388.19833	5.2
390.40848	1.9
533.69757	1.8
570.96655	2.0
681.37207	15.8
882.45258	100.0
883.45624	10.3
948.75751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58453	0.9
67.01910	1.2
69.28214	2.2
69.28625	3.3
71.01379	5.9
75.20428	1.1
82.91476	1.0
83.01398	12.2
84.87611	1.0
85.02957	100.0
87.00890	1.1
89.00358	3.0
91.01920	1.7
95.01447	1.3
96.96021	1.3
97.02932	1.4
98.22639	2.1
101.02457	2.7
106.00613	3.5
106.64257	1.0
107.69250	1.0
108.02192	4.1
109.02962	1.2
111.00890	17.2
113.02438	1.8
117.03466	2.2
121.02966	36.6
123.00906	9.2
123.04534	4.6
125.02458	2.5
127.00409	1.5
129.01965	23.0
132.02185	8.4
133.02985	3.7
134.03752	27.7
134.04726	1.8
134.63792	1.1
135.04521	5.7
137.02460	4.6
138.03246	4.7
139.00356	1.4
145.02979	1.5
146.03745	2.0
147.03023	4.9
147.04625	1.3
149.06096	6.1
153.05583	21.2
154.99907	2.2
159.04471	1.3
160.01671	39.0
161.02478	7.4
162.03220	3.2
166.99840	6.6
167.07172	1.2
173.00937	3.9
173.02365	1.7
173.06085	1.4
173.39998	1.2
174.03235	7.1
175.04015	51.2
177.05576	2.8
178.02763	5.0
179.03500	10.0
182.02228	18.6
188.04811	1.7
191.02010	1.7
191.07104	1.7
193.05080	25.5
197.04565	72.1
198.04881	2.3
201.05502	1.3
202.02715	2.0
202.06372	6.2
213.05476	1.1
215.03491	2.2
217.05183	1.7
217.08688	10.0
218.05865	2.5
221.06071	1.2
229.04912	1.3
233.08261	5.9
237.05614	1.5
249.05460	1.6
251.07211	2.5
261.07718	23.8
261.19891	1.0
263.07083	1.6
264.08032	1.9
265.04996	2.6
265.07294	3.3
267.06543	5.4
277.05139	3.1
277.08215	1.1
279.06699	3.1
282.08981	4.1
289.05090	3.9
290.05661	1.1
292.07544	1.1
293.04657	2.4
294.05371	1.3
294.08850	2.2
295.06100	1.2
297.11249	1.4
304.07428	4.5
305.04153	2.1
307.06097	1.0
308.06982	5.0
309.07782	2.4
319.46790	1.1
320.06885	3.3
322.08197	2.1
323.05246	1.4
323.09470	8.8
326.07944	1.5
327.07465	2.0
335.09253	12.1
336.09579	1.4
338.08002	3.9
341.10306	4.6
347.09229	1.1
347.17194	2.5
353.10303	27.5
363.08734	2.5
365.14032	1.7
371.06213	5.4
371.11343	4.9
378.11337	1.3
381.13583	5.3
393.13443	5.7
409.12839	16.1
411.14517	1.2
421.12967	32.3
422.13287	1.2
439.14044	7.7
483.13043	3.8
495.14554	1.3
527.11871	2.0
835.26807	1.8
835.55481	1.2
851.29852	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	920.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03476	2.6
70.71702	1.7
73.04081	2.3
80.05029	1.9
82.06630	1.8
82.30727	0.8
83.02538	1.0
84.00920	1.3
92.92806	1.5
94.92522	9.9
96.96027	3.6
99.01996	1.7
99.05700	1.2
111.05680	1.3
111.52011	0.8
112.07695	1.2
113.07224	25.1
114.05612	2.4
125.03538	1.5
125.07197	1.3
127.08787	1.6
129.10356	18.7
130.08781	1.4
137.07251	2.1
138.04385	1.1
139.08798	5.2
140.07161	2.8
141.06711	0.9
141.10365	1.8
151.08774	1.9
151.12392	1.2
152.07150	1.4
152.10812	1.3
153.06696	3.9
153.10414	1.0
154.09836	0.9
155.08241	7.2
158.02834	0.8
167.04634	1.6
168.11423	1.4
169.09842	8.0
170.09338	6.2
177.10321	5.5
178.08778	3.8
181.13448	4.4
186.12497	6.3
191.11902	1.4
194.13016	1.3
195.11336	4.5
197.65735	0.9
208.14545	6.7
209.12993	8.1
212.14032	4.2
224.14122	1.6
225.10637	10.5
226.15622	19.8
238.19260	4.6
242.13332	3.0
242.72925	0.8
243.11711	1.5
251.15195	4.1
252.13535	1.0
260.14401	5.8
265.16772	1.6
266.18817	1.1
269.16281	1.4
281.20105	1.3
339.18466	4.6
357.19620	2.7
396.26154	1.0
399.21164	1.0
404.26556	0.9
452.26929	4.0
470.28201	4.4
527.30560	1.2
551.03516	0.9
649.40784	1.8
723.42621	3.4
737.43628	10.5
737.53253	0.9
738.43597	1.1
876.50262	100.0
877.50629	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	921.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	28.4
71.40574	1.4
74.10193	1.3
83.01386	1.6
85.02968	7.3
89.02460	9.7
93.16147	1.1
94.42162	1.2
95.01420	1.6
95.88218	1.4
96.96036	1.6
101.02442	8.2
106.06641	4.5
113.02460	4.9
115.00382	23.7
119.03529	3.3
120.08206	5.1
122.06134	13.0
131.65471	1.3
132.04576	1.5
133.01456	9.0
133.02936	2.9
134.03773	2.5
134.06131	27.0
134.50211	1.3
135.04529	1.3
141.27525	1.3
151.40077	1.2
152.07159	4.9
161.02499	2.5
190.05067	2.4
193.05167	2.4
210.66321	1.4
223.08670	2.3
224.09549	2.1
225.10298	1.9
236.09604	2.2
237.10321	5.4
238.11078	2.2
239.11874	8.8
241.13611	1.8
249.06589	2.0
249.10281	1.5
251.08327	2.6
251.11928	4.5
263.08252	2.9
263.11874	1.7
264.09119	6.2
265.09753	6.2
277.09854	5.3
278.10562	1.6
279.11398	18.0
281.12949	3.0
283.10916	1.6
285.12454	2.2
291.11478	2.1
292.12021	2.4
305.09460	1.8
307.10876	1.5
314.12454	1.6
323.10477	1.9
356.13828	1.5
372.17300	1.5
384.17059	4.2
386.18616	4.0
402.18170	2.9
426.17752	2.2
471.80728	1.2
473.19379	1.4
564.23468	3.1
606.24573	4.1
610.24249	4.1
650.23615	8.1
651.24213	6.0
682.26111	4.4
687.30585	2.8
729.31824	7.7
773.30463	54.3
774.30664	2.8
805.33069	100.0
806.33514	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	921.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03493	1.1
66.81235	0.6
67.31711	0.7
71.02502	2.2
73.04070	4.1
82.01772	0.6
83.02514	2.3
84.00939	1.6
84.06842	0.6
84.53599	0.6
85.04102	0.6
93.03462	1.3
93.71911	0.6
95.02517	2.8
97.00420	1.8
97.64896	0.7
99.02016	18.9
110.01204	1.5
111.02022	6.1
111.05625	1.1
112.05180	1.9
113.03588	3.8
113.07213	3.7
114.05611	0.8
116.05076	1.6
118.06667	0.7
119.05041	11.7
124.05145	1.3
125.03567	5.5
125.07211	0.8
126.03078	0.7
127.05128	2.3
128.04669	2.4
130.06201	4.3
132.05815	1.5
133.05418	1.0
137.03555	1.2
139.05161	3.2
139.08731	0.8
140.07195	1.4
141.06700	0.7
146.06122	5.0
150.03093	1.0
151.05130	1.1
152.04663	0.7
152.05989	1.1
152.07167	0.9
153.06673	1.3
153.10310	1.5
155.08321	0.9
156.04160	2.4
156.07703	1.2
158.06129	1.0
160.03966	0.9
160.07668	0.9
161.02461	0.8
161.07191	0.8
162.05661	1.7
163.08775	1.9
164.07222	0.7
165.06686	0.8
167.04536	0.9
167.08200	0.7
169.09755	1.5
170.05811	0.8
170.09380	2.9
174.05606	1.8
175.08736	0.8
179.08290	1.7
183.06630	0.7
184.07736	0.8
185.07202	4.1
186.05605	7.6
189.06668	1.3
196.10962	1.4
199.05150	0.8
199.08734	1.6
201.06682	2.1
202.05162	1.6
203.08293	4.1
209.10828	1.3
209.12968	10.1
210.12434	1.5
213.06587	0.9
213.09807	1.1
216.11275	0.8
218.09415	0.7
219.07814	2.7
220.10953	1.4
225.06438	1.8
227.11461	0.8
236.10460	2.7
240.08220	0.8
241.09389	1.8
246.08885	1.2
254.41930	0.8
255.15039	0.8
256.99908	0.7
260.10580	1.9
262.11984	0.8
266.15387	0.7
277.13104	1.2
277.91171	0.7
310.15359	0.9
319.14169	0.7
331.10034	0.8
346.12552	0.7
390.61285	0.8
419.20291	0.7
467.26495	1.1
550.38837	0.7
567.28668	1.0
584.31677	2.6
624.31293	1.0
650.33246	1.6
724.31470	1.5
771.35425	1.7
786.37036	1.3
811.37524	1.4
813.39532	11.7
814.39294	0.8
859.37671	1.1
862.36823	0.9
877.39282	100.0
878.39435	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	922.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	18.7
71.39983	1.9
73.02957	2.6
77.49635	1.6
83.01401	2.5
85.02964	22.8
87.00881	5.1
89.02458	8.8
89.03994	2.2
95.01390	7.2
98.02511	7.7
101.02440	5.6
113.02456	30.8
131.03487	7.2
132.02196	6.5
133.02977	45.1
134.03752	11.6
135.04538	21.0
160.01704	4.4
160.80565	1.5
161.02454	70.3
163.08954	1.7
173.07152	1.4
175.04077	2.9
177.10368	3.8
179.03534	8.7
181.68187	1.7
185.07211	3.6
193.05035	3.3
200.09576	3.1
202.63449	1.6
231.11482	3.1
246.12442	3.8
258.12503	14.9
302.11490	10.5
352.25040	1.6
434.13977	2.0
482.18069	1.8
628.23987	2.2
744.75684	1.8
760.28088	20.8
922.31140	100.0
923.31342	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	922.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90864	0.8
73.46124	0.9
78.95912	26.5
82.43422	0.9
94.99799	0.8
95.32946	0.8
98.22266	7.0
98.70750	0.9
110.98547	2.4
113.28355	1.0
130.01996	0.9
140.01201	5.2
146.75970	0.9
152.99605	2.1
156.60301	0.9
185.02251	1.9
196.03833	9.5
214.04863	2.4
277.21747	52.3
279.23306	100.0
280.23450	1.4
445.23663	27.3
476.27866	95.5
477.28494	1.9
798.49518	0.9
918.77869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04054	2.1
82.03011	2.6
93.03485	4.8
99.01997	3.0
110.84804	2.1
113.07230	12.9
114.05666	2.1
115.08767	6.1
119.05018	14.9
122.04932	1.8
123.05642	2.2
127.05170	9.7
129.10356	18.8
137.07239	3.1
138.05565	1.9
139.05153	3.1
139.08768	4.2
140.07190	2.8
141.06723	5.1
144.07805	2.3
151.08786	2.2
155.08267	5.4
165.06717	2.6
166.06245	3.1
168.11409	2.0
173.61246	1.6
195.50307	1.8
197.16548	2.7
200.68965	1.7
209.12978	9.6
210.12485	5.6
212.14024	9.5
222.12482	8.8
225.16084	4.4
239.15152	5.1
239.17615	1.7
248.17709	2.3
269.16083	2.7
296.17395	2.0
309.19446	2.7
350.34555	1.8
549.37817	3.1
677.43835	2.3
690.99603	1.9
813.68457	2.0
897.19916	1.9
922.54114	100.0
923.54840	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	923.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68879	2.1
71.01384	5.7
73.02951	0.9
85.02956	4.4
87.00880	1.4
89.02456	2.0
95.01397	1.5
101.02454	0.9
105.03487	1.3
113.02470	6.4
115.01940	1.1
117.03455	2.4
131.03558	0.8
132.02164	3.5
133.02971	57.0
134.03680	2.0
135.04520	11.0
154.73895	0.6
159.03311	0.8
161.02460	100.0
162.02795	1.0
170.09384	1.0
171.25774	0.6
174.05623	0.8
177.65302	0.7
179.03503	5.0
191.05696	0.7
193.04935	0.7
541.21844	0.7
596.43781	0.7
629.23456	1.3
648.51575	0.6
761.27887	2.2
811.41669	0.8
923.30927	31.7
924.30969	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	923.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30343	6.7
73.04076	1.9
76.61713	1.3
84.00893	3.7
86.75835	1.2
87.05624	2.3
99.02004	3.6
105.75020	1.4
110.24403	1.5
111.01985	2.5
113.03577	11.3
113.07232	13.0
116.05084	1.6
118.06647	2.8
119.05042	14.8
125.03542	1.9
125.07236	1.5
134.43948	1.4
142.06673	1.3
146.06126	12.0
153.06731	17.1
158.06152	3.9
159.09373	1.5
166.09857	2.0
167.08330	2.3
170.09387	4.9
184.10886	15.9
185.07265	2.7
186.05647	11.0
202.05069	2.6
203.08308	7.2
210.08752	1.7
223.12062	4.3
241.13040	3.0
260.10388	5.1
260.14014	4.7
282.12482	3.7
299.15222	2.8
300.13538	2.0
317.16122	1.6
345.23459	1.8
395.61407	1.5
397.91989	1.4
428.19299	2.8
542.27386	2.5
632.31860	4.0
648.31641	2.6
753.09271	1.7
835.37952	100.0
836.37457	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	923.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17379	0.3
75.76752	0.2
78.95903	4.6
98.22697	0.6
109.24143	0.2
110.98540	3.5
129.60210	0.3
152.99605	0.3
155.05280	0.3
159.48747	0.3
167.01141	2.0
167.48439	0.3
174.35136	0.3
185.02222	3.4
250.44295	0.3
258.41284	0.3
274.86948	0.3
293.24890	100.0
294.25180	3.4
325.94998	0.3
445.06372	0.3
447.08868	0.3
461.26782	48.2
462.27194	2.1
585.68292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42246	0.3
70.02966	0.4
70.03294	0.7
78.95914	7.1
78.96345	0.5
98.21970	0.3
100.20273	0.3
100.57407	0.3
103.41456	0.3
104.97527	0.3
110.98547	4.7
146.65367	0.3
167.01155	2.3
185.02223	3.6
255.23315	0.6
259.83850	0.3
293.24887	100.0
294.25275	3.5
461.26755	47.5
462.26996	2.1
510.90582	0.3
549.20294	0.3
666.41864	0.3
778.94446	0.4
894.93640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91600	1.1
69.74648	3.4
84.00906	3.4
99.01994	1.4
110.97832	1.1
113.03592	1.5
113.07230	4.6
119.05019	2.3
133.02988	4.1
146.06165	1.6
153.06717	6.9
161.02451	6.6
162.02811	1.2
162.05614	1.7
168.63939	1.0
170.09329	6.4
186.05608	2.4
203.08266	1.6
209.10455	1.9
210.08762	1.1
226.15721	2.2
227.11324	1.5
260.10504	2.3
263.77658	1.3
265.16464	1.3
276.13541	2.5
283.17947	3.0
299.14996	1.7
302.14059	1.0
339.14557	1.5
374.49139	1.2
392.23703	1.3
450.66122	1.1
503.67850	1.1
550.04486	1.0
787.37878	100.0
788.38312	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	925.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15937	0.6
66.63762	0.5
69.30592	3.4
70.02975	0.7
71.01386	11.1
71.62355	0.5
72.99300	1.1
73.02969	1.3
73.83057	0.5
74.79021	0.6
81.03493	0.6
85.02959	12.7
87.00883	2.2
89.02448	5.0
89.03978	2.6
95.01395	3.5
101.02448	1.6
109.02987	0.7
113.02454	13.8
116.05091	1.2
117.03468	7.1
123.04513	0.6
131.03534	6.2
132.02185	11.6
133.02986	11.4
134.03754	100.0
135.04572	7.7
137.02431	0.7
137.87463	0.5
144.04514	0.8
149.04584	2.8
149.06087	10.7
150.01472	1.3
151.02231	1.5
157.05350	2.0
158.06113	0.8
160.01659	38.4
161.02458	24.0
163.02260	1.3
164.01779	1.1
165.02536	1.6
175.04012	21.7
176.01758	13.0
178.02675	8.6
179.03520	7.1
188.01807	1.8
189.02567	3.4
190.03336	18.9
191.05573	3.4
192.04887	16.2
193.05070	95.5
194.05409	2.3
204.04922	10.7
206.06398	1.4
210.05931	1.7
216.01242	2.0
218.00880	0.7
218.02882	1.9
218.82030	0.6
219.03607	3.8
219.05551	0.9
220.04350	6.9
222.05899	1.0
233.06688	1.7
235.05759	1.3
235.85178	0.6
247.05473	50.4
248.05684	1.1
261.07074	7.2
265.06650	4.6
273.03339	0.7
279.07965	0.7
291.04504	5.8
337.09235	0.9
390.38129	0.6
578.61023	0.6
705.22144	0.8
719.23254	1.1
749.20605	2.7
777.30115	1.0
881.26587	22.5
882.27106	1.0
907.24957	3.8
925.25592	48.6
926.25958	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	925.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43095	2.1
70.02987	0.9
71.01391	9.9
72.99308	2.2
73.02959	2.0
83.01395	0.8
85.02958	15.0
86.92796	0.6
87.00890	3.6
89.02457	5.0
89.03983	3.0
95.01407	3.4
97.02943	1.0
101.02440	2.5
103.00352	0.7
110.90094	0.7
113.02460	17.1
116.05095	1.5
116.08270	0.6
117.03482	8.2
119.17053	0.6
121.02959	0.7
127.03951	0.7
131.03551	6.2
132.02193	12.4
132.03169	0.9
133.02965	10.9
134.03754	100.0
135.04604	6.6
137.02466	1.2
143.03549	1.1
149.04581	2.1
149.06088	9.7
150.01465	1.1
151.02249	1.4
153.02316	0.7
157.05339	2.2
160.01674	40.1
161.02463	22.4
163.02232	1.7
164.01790	2.0
165.02522	1.8
166.58429	0.7
170.06134	0.7
175.04016	23.3
176.01788	15.1
178.02696	7.7
179.03506	6.6
180.04993	1.0
185.07214	0.7
187.13316	1.0
188.01755	1.6
189.02560	2.7
190.03352	19.1
191.05655	2.4
192.04898	15.9
193.05074	97.4
194.05440	1.6
203.15147	0.7
204.04892	11.7
206.06490	0.8
210.05939	1.8
216.01248	1.2
218.02864	2.3
219.03639	4.8
220.04411	6.0
222.06024	0.7
224.43365	0.8
233.06865	1.4
247.05481	51.7
248.05795	1.2
250.60866	0.6
259.06046	0.9
261.07031	7.9
265.06622	4.4
266.17380	0.7
291.04550	5.0
311.14127	0.7
338.55832	0.8
478.21991	0.7
749.21161	1.7
881.26715	21.1
882.26422	1.6
907.25006	2.9
925.25568	47.8
926.26178	3.2
943.58612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99852	5.8
69.46302	1.6
69.46689	1.5
71.01389	21.3
72.99314	0.8
76.06419	0.8
83.01380	1.0
85.02934	2.3
89.02426	3.6
96.96001	1.0
97.76072	0.7
101.02431	3.2
107.03741	0.9
110.83169	0.8
113.02432	2.3
115.00386	18.1
119.03487	0.9
120.08206	1.2
122.06136	9.8
133.01454	8.4
133.02986	1.2
134.02542	1.4
134.03674	1.7
134.06163	1.3
136.07639	2.2
161.02490	1.7
174.09306	1.2
179.03564	1.0
179.05519	1.6
193.05110	1.2
199.08778	2.9
200.07086	0.8
211.08705	0.9
213.10196	1.0
218.08318	1.0
225.06508	1.3
227.08392	4.0
239.08264	6.2
240.09012	3.2
241.09868	9.0
241.13426	0.9
242.10538	4.5
243.11160	1.6
251.08144	1.7
252.09036	1.9
253.09796	3.1
257.12830	2.7
258.13184	1.6
265.06192	1.5
265.09375	1.1
266.10556	2.3
267.08011	1.7
267.11374	4.9
268.12119	1.6
269.09396	1.2
276.09009	2.7
277.09830	1.6
278.06842	0.8
279.07782	1.9
280.08481	2.3
285.08856	1.5
286.09607	5.8
287.10419	2.4
291.11398	16.9
292.11734	1.0
293.09250	2.4
294.10104	5.3
295.10815	2.8
296.11569	1.2
301.11911	1.9
301.92911	1.0
302.12173	1.7
307.10944	1.3
309.12494	1.1
335.10327	7.8
336.10873	1.0
338.09149	4.4
339.09750	1.2
340.10684	1.7
348.27985	0.9
353.10956	1.0
356.14093	1.2
362.15036	3.4
364.16660	1.1
370.15430	1.4
372.17319	1.0
384.13248	1.5
386.18875	1.2
394.17670	1.0
398.14932	3.0
406.14114	1.0
408.15692	5.2
412.16510	3.0
413.17297	3.1
416.16177	1.6
430.17603	1.4
438.16306	0.9
457.16580	6.0
458.16763	1.4
460.15143	2.2
474.16492	1.6
476.19180	1.0
522.23767	0.9
535.23645	1.8
567.26086	1.0
579.22583	6.4
597.23511	10.3
611.25098	3.1
629.26166	4.1
637.22583	2.1
650.57294	0.9
654.22540	1.4
655.23633	4.5
686.25110	1.9
733.30939	1.9
759.28912	6.3
777.29962	100.0
778.30170	6.5
790.06958	0.8
791.31976	3.1
809.32617	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	925.396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46615	3.0
70.02982	1.8
71.02509	2.2
73.04076	8.4
74.02487	1.3
81.03425	1.0
82.06650	1.1
83.02516	4.1
84.00926	2.7
85.04085	2.9
93.03449	3.1
94.35976	1.0
95.02520	15.9
97.04052	2.3
99.02013	21.2
99.05634	1.6
101.03528	1.1
101.14890	1.0
107.05038	1.4
109.04097	2.3
111.01994	6.2
112.05184	11.8
113.03571	14.5
113.07177	5.4
119.05038	36.9
124.04083	1.4
124.05177	5.4
124.93708	1.0
125.03560	6.8
127.05158	3.3
128.04665	2.3
129.10353	3.7
130.06238	23.1
133.02977	1.4
134.06171	1.3
136.04063	1.3
138.05641	3.0
139.05142	2.3
139.08795	2.3
139.74005	1.0
140.07201	1.2
141.10388	2.3
142.06223	1.9
151.08804	6.8
152.04649	1.3
152.07144	2.1
153.06712	4.1
155.08301	3.2
156.04167	15.8
156.07730	1.9
158.06093	3.3
161.02483	3.4
162.05624	20.3
165.10394	1.1
167.08273	7.3
168.11453	2.9
169.07332	12.9
169.09805	10.5
170.05730	1.7
170.09340	10.2
179.03484	1.2
179.08273	4.1
181.07329	2.9
181.09850	2.1
181.37343	1.0
182.13025	1.6
186.12489	10.0
187.08406	8.4
196.10941	1.5
199.08398	2.9
199.30350	1.0
200.13940	1.6
201.06696	2.2
202.05092	4.3
205.06155	2.1
206.09219	1.5
208.10986	1.4
209.10457	4.2
212.10376	8.9
213.06407	3.1
219.07664	1.7
224.10413	3.7
225.13579	5.6
226.07056	3.4
227.07864	2.7
227.11548	1.7
243.14655	4.8
253.13084	1.7
256.08127	2.2
257.13135	1.8
258.11255	2.5
269.12561	4.4
276.13541	10.9
281.12527	1.9
282.15802	2.7
284.13626	1.5
292.16599	1.9
300.16809	6.6
310.15161	3.1
322.15338	2.0
326.14874	6.6
330.14621	5.3
333.15680	1.6
349.18915	3.0
383.16946	1.2
428.19458	1.1
439.19705	2.7
463.23224	1.2
474.01138	1.0
549.77930	1.3
552.28149	2.0
609.30566	1.5
723.34802	1.4
750.73865	1.3
764.50409	1.2
820.24268	1.3
881.36926	6.6
895.38763	4.7
907.38452	2.5
925.39661	100.0
926.40149	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	927.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	8.0
73.02946	3.2
73.92558	0.8
80.12277	0.8
81.03459	2.2
83.01399	1.2
85.02956	3.4
87.00877	2.2
89.02431	1.6
101.02453	4.6
113.02460	2.9
119.77412	0.9
121.02996	1.0
122.03696	3.1
125.02403	1.2
125.09748	3.0
133.02954	2.5
133.06598	2.3
134.03748	3.0
135.04523	3.4
136.60905	0.8
137.06088	3.4
149.06091	15.3
161.02423	5.2
171.10287	19.5
174.06744	0.9
175.03960	1.0
177.05592	6.1
179.03528	1.4
187.09709	0.8
191.05656	3.9
213.09283	0.9
228.04309	1.7
231.10416	0.9
241.08672	2.9
243.06598	9.0
244.07072	1.0
258.08990	35.4
259.09756	33.3
260.10089	1.2
315.14572	9.0
333.15573	47.9
334.15829	1.0
375.16629	100.0
376.16895	2.7
392.32547	0.9
463.16135	30.4
464.16928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00092	3.1
103.00368	10.3
103.01510	100.0
113.07223	10.0
113.19408	3.1
123.62700	3.0
140.07132	3.3
161.02518	7.0
170.09364	19.9
178.78613	3.6
184.10904	3.5
193.30066	4.0
274.16434	3.4
299.15057	6.0
331.92349	3.4
456.39246	4.0
640.39221	4.2
793.46307	72.5
794.45825	5.7
805.46478	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	928.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19082	0.7
69.60626	1.1
69.61010	1.3
71.01389	6.1
85.02956	5.8
87.00868	1.4
89.02445	2.3
95.01382	1.3
98.22579	1.1
101.02448	1.4
105.03445	1.1
113.02458	7.5
117.03491	2.0
119.03461	0.8
122.19724	0.8
123.48818	0.7
131.03514	2.7
132.02196	3.3
133.02968	45.2
134.03770	3.4
135.04538	14.4
160.01624	1.1
161.02457	100.0
162.02788	2.0
179.03502	6.5
188.85420	0.7
191.05605	3.4
193.04944	0.8
223.29256	0.6
230.06926	1.4
261.35437	0.7
344.85342	0.9
393.71603	0.7
560.84357	0.8
703.25867	1.6
865.28900	63.0
866.28760	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	928.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02496	1.5
72.71483	1.1
73.04081	10.4
83.02512	1.7
84.00907	7.4
85.62990	1.0
91.03545	1.3
93.03458	3.7
95.02493	2.5
98.21912	5.1
99.02010	8.1
111.02011	2.4
112.07681	2.0
113.03587	1.6
113.07220	34.4
114.05598	2.5
115.08775	11.1
116.05066	10.9
116.07102	1.4
118.06622	3.5
119.05031	9.6
123.05643	2.1
125.07254	8.6
126.05556	1.2
127.08784	5.8
129.10335	4.4
130.06184	1.2
135.05640	2.6
137.07220	26.3
138.05664	2.3
139.05147	1.7
139.08789	1.9
141.06717	7.2
141.10301	1.5
145.02966	3.0
146.06133	3.8
150.06696	1.3
151.08772	5.4
151.79178	1.1
152.08327	5.1
153.06705	24.0
154.09904	12.1
155.03429	1.8
155.08276	30.9
166.09726	1.1
167.04533	1.7
167.19270	1.1
168.11446	4.2
169.09903	1.7
170.09360	28.2
172.10930	38.5
173.09225	1.3
173.11426	1.4
174.05658	2.9
177.06686	3.5
179.04619	3.0
180.07794	1.8
181.13481	3.4
182.09322	2.4
186.05594	1.3
190.05162	2.9
194.09332	13.6
198.08969	6.4
200.10826	2.3
208.14503	5.6
209.10506	1.3
209.12935	4.6
211.11954	3.3
211.14214	1.3
212.10390	2.9
212.13959	1.6
224.14055	2.0
226.15639	28.8
227.11528	3.0
229.13036	6.8
239.11967	1.3
242.09476	1.4
242.11911	4.9
243.11365	3.9
245.35040	1.2
251.15160	27.4
252.13503	3.5
253.16742	4.8
255.10822	1.9
259.10760	2.1
259.73312	1.2
261.12839	1.3
265.16705	4.4
269.16229	12.2
281.16229	1.5
283.17780	5.0
300.13483	3.7
302.15167	2.0
304.40314	1.3
308.17435	8.9
312.20697	1.6
326.18362	32.0
328.19824	1.3
355.21426	2.0
373.22119	1.6
407.24078	3.2
408.22958	1.4
425.25348	4.5
429.22903	1.3
439.26944	1.8
456.22943	2.0
561.31659	1.6
579.32709	4.4
673.33533	1.7
683.39142	24.0
684.38391	3.5
685.36829	33.9
686.37219	3.4
732.37616	3.2
772.40723	1.9
789.43829	2.4
822.45294	25.9
823.45239	3.4
910.48505	3.5
914.28210	1.5
928.49426	100.0
929.49615	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	929.331
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07381	3.1
71.01389	1.6
73.02953	1.1
84.17324	0.5
85.02943	0.9
89.02454	1.1
89.04004	0.4
91.05550	0.8
99.00889	2.9
101.02448	0.9
107.05044	1.6
113.02442	0.9
117.03474	1.2
127.62274	0.4
132.02164	0.8
133.02975	10.5
134.03761	7.0
135.04539	100.0
136.04915	1.2
149.04678	0.4
154.04892	0.5
161.00479	0.5
161.02460	32.2
179.03516	62.0
180.03920	1.0
189.12891	0.5
191.01953	0.4
191.05682	0.6
230.84599	0.4
341.08783	2.7
514.86035	0.5
681.27948	2.1
723.28723	63.6
724.29688	3.4
885.34155	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	929.331
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07381	3.1
71.01389	1.6
73.02953	1.1
84.17324	0.5
85.02943	0.9
89.02454	1.1
89.04004	0.4
91.05550	0.8
99.00889	2.9
101.02448	0.9
107.05044	1.6
113.02442	0.9
117.03474	1.2
127.62274	0.4
132.02164	0.8
133.02975	10.5
134.03761	7.0
135.04539	100.0
136.04915	1.2
149.04678	0.4
154.04892	0.5
161.00479	0.5
161.02460	32.2
179.03516	62.0
180.03920	1.0
189.12891	0.5
191.01953	0.4
191.05682	0.6
230.84599	0.4
341.08783	2.7
514.86035	0.5
681.27948	2.1
723.28723	63.6
724.29688	3.4
885.34155	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	929.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65817	0.4
69.37643	0.7
69.38049	1.7
71.01385	3.8
73.02959	1.0
76.39561	0.4
78.63905	0.4
82.13754	0.4
83.01398	0.5
85.02967	1.7
88.62392	0.4
89.02453	1.9
89.49487	0.4
96.96021	0.6
99.00891	1.8
101.02457	1.5
105.03484	0.6
106.04226	0.5
107.05054	2.9
113.02475	1.8
117.03467	1.6
119.03519	1.0
119.05060	0.5
123.04594	0.6
132.02161	1.1
133.02971	16.6
134.03755	9.6
135.04538	100.0
136.04863	1.3
137.02490	0.5
161.02460	38.1
162.02812	0.8
179.03511	39.4
180.03819	0.6
183.10284	0.9
246.45557	0.4
723.29114	1.5
843.33838	0.7
885.34076	37.4
886.34442	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	929.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69418	6.5
71.01374	5.1
73.02941	3.7
84.11660	2.9
85.02964	5.5
86.62447	3.0
94.48302	3.1
96.96014	4.7
99.81836	2.6
105.99272	3.4
108.02189	82.2
109.02964	40.9
121.02969	5.9
122.06197	2.8
137.02449	4.0
143.99725	2.7
144.04645	2.7
152.01167	100.0
153.01968	30.9
165.02005	3.8
176.84854	3.0
177.08495	2.9
181.01471	2.9
250.11139	3.7
264.09067	5.2
265.09973	3.9
265.13385	5.1
277.09845	4.4
291.11407	3.3
293.12991	8.0
297.94989	3.0
304.08371	3.2
315.07242	12.6
319.10968	7.4
337.11948	3.5
381.03561	3.4
386.15091	4.0
400.16510	2.8
445.02438	2.8
526.97772	3.0
541.30133	7.4
581.24133	3.7
635.19446	4.2
734.26111	3.3
775.25854	9.1
775.56403	3.6
784.03217	3.6
896.93213	3.8
897.32068	90.4
898.31879	10.5
929.34839	31.6
930.35339	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	929.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29903	2.2
69.30309	1.5
70.02979	0.9
71.02508	4.4
73.04073	7.3
82.06612	1.3
83.02515	5.5
83.02961	0.8
84.00907	2.3
85.04065	2.0
87.05647	8.6
91.05539	0.9
95.02519	15.5
96.00317	1.2
96.00921	18.2
97.04073	3.1
98.01193	0.9
98.02465	3.4
99.02010	16.1
109.04067	3.6
110.02456	2.5
110.03604	7.6
111.02014	4.1
111.05640	1.1
112.05183	8.1
113.02861	1.2
113.03593	15.9
113.04384	0.9
113.07220	18.7
116.05063	3.1
118.06638	1.1
121.04090	0.9
122.04886	3.9
123.05634	1.2
124.05111	0.9
125.03570	1.8
125.07267	1.6
126.06754	0.8
128.04643	1.9
129.10365	5.1
130.06229	12.7
138.03116	7.8
139.08752	2.0
140.07164	1.1
142.06650	8.1
143.11844	0.8
144.07797	2.4
146.06117	8.8
149.07166	0.8
151.05115	1.0
151.08780	8.0
152.04652	1.4
152.07143	2.1
152.08345	1.8
153.06709	9.1
153.10303	1.3
154.08675	0.8
155.08267	3.6
155.11958	1.3
156.04138	3.0
158.06161	3.6
160.07707	2.2
161.02383	0.9
163.08757	1.0
165.06644	1.6
165.10338	15.8
166.06245	1.1
167.05794	1.6
167.08263	3.2
168.11432	4.5
169.09807	3.3
170.05721	1.0
170.09360	23.0
174.09299	0.7
181.09860	1.7
182.12994	17.2
183.08887	1.1
183.11432	3.9
184.06432	1.0
184.10912	0.8
185.07051	2.6
186.05638	6.7
189.10376	1.0
192.07764	0.9
195.15051	1.0
196.14670	0.7
199.08809	6.6
200.07202	0.8
200.14058	21.3
201.09964	1.2
203.08289	11.5
206.09348	1.1
208.10982	1.1
210.12636	0.9
212.05600	1.2
212.10388	2.0
213.10365	3.3
215.08246	2.9
216.11458	1.0
217.09824	2.6
220.10924	2.3
222.12483	3.0
222.16054	4.7
223.11813	1.1
226.12004	4.6
227.11490	1.6
232.56786	0.8
234.12433	1.5
237.13977	0.7
239.15111	3.2
242.09361	37.1
257.16162	2.5
259.12003	11.5
260.10400	30.4
261.10403	0.7
265.16699	25.6
266.15060	2.0
277.13101	11.3
279.49890	0.7
281.13016	1.3
283.14117	2.4
283.17740	12.4
291.14810	1.5
299.15024	3.7
303.11111	1.7
309.19333	1.1
313.12933	2.7
329.19827	1.0
330.15695	1.9
336.20438	11.2
337.18921	0.9
348.16751	9.5
354.17200	1.1
354.21481	19.4
411.23416	1.2
412.23566	2.7
421.63376	0.7
461.25507	4.6
483.27222	2.4
487.23105	1.2
501.28088	2.0
502.92957	0.9
615.32849	5.3
670.34174	1.0
694.32941	0.7
712.34058	2.2
731.78229	1.0
744.38434	100.0
745.38434	7.5
752.39624	0.9
788.41010	3.7
823.39203	11.8
824.40088	1.1
841.40057	79.5
842.39880	8.1
867.42181	1.2
885.42731	17.6
886.42853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84564	0.6
70.98330	0.8
72.04547	10.1
82.02991	48.3
89.03157	0.6
98.02485	21.2
100.04053	20.3
117.35244	0.6
119.05032	27.4
156.45595	0.6
192.10364	4.2
213.38290	0.6
218.08298	5.4
219.05026	0.6
220.09801	12.3
264.08783	100.0
265.09064	2.9
376.66464	0.7
430.97281	0.7
558.79517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
106.10798	12.7
107.85956	19.8
110.02435	16.1
114.33715	17.7
133.02913	24.4
135.04564	19.6
139.38057	16.2
160.01627	25.0
161.02435	69.4
170.09349	32.3
212.14035	27.1
302.06848	15.5
447.91547	16.3
514.56940	17.2
770.39899	46.5
867.41260	100.0
914.04913	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	931.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36034	2.8
71.01391	15.3
73.02931	2.0
83.01424	1.1
85.02953	19.1
86.00079	1.3
87.00896	2.3
88.06157	1.2
89.02445	5.2
95.01422	6.9
96.96002	1.6
98.21985	1.7
101.02442	4.8
107.05083	2.1
113.02459	24.9
121.02957	2.1
131.03517	2.9
132.02202	3.5
133.02965	48.7
133.66397	1.2
134.03731	4.7
135.04546	39.5
139.02229	4.6
143.04602	1.7
151.04071	2.0
158.66171	1.3
160.01695	3.5
161.02452	100.0
162.02837	2.4
165.00165	1.4
166.00914	3.4
167.01729	36.3
175.04024	3.4
177.03322	1.5
179.03505	35.1
185.02779	4.5
191.05753	1.6
193.05093	1.8
193.57515	1.3
235.07257	1.5
312.36954	1.3
347.08072	3.7
349.22299	1.2
493.13876	9.7
625.18109	19.1
753.22900	2.1
769.23511	14.7
770.23950	3.1
787.21313	72.2
788.21490	5.3
931.26672	25.5
932.26935	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	931.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	6.7
71.01945	0.6
71.39577	0.7
76.00643	0.6
77.77671	0.5
85.02956	8.3
87.00882	1.1
89.02470	2.1
95.01413	3.1
101.02448	1.1
105.03485	0.9
113.02459	10.4
115.01944	0.8
117.03498	1.6
121.02998	0.8
123.04495	0.9
123.31319	0.6
131.03503	1.0
132.02180	4.3
133.02971	54.4
134.03789	6.8
135.04539	20.8
140.37823	0.6
149.04642	0.5
149.06030	0.6
153.51396	0.5
160.01691	0.8
161.02460	100.0
162.02814	2.1
175.04074	1.3
178.02664	0.6
178.25603	0.6
179.03522	11.4
191.05603	1.0
193.05037	3.5
252.05617	0.5
266.07016	1.1
297.08633	0.7
364.39914	0.5
403.17981	0.6
589.13953	0.7
712.22351	0.6
755.24329	1.6
769.26575	1.2
931.30017	41.1
932.29602	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	931.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	3.4
71.01386	26.4
71.40818	1.4
72.99299	3.9
73.02949	4.6
76.12439	0.9
81.03457	1.2
81.71293	0.9
83.01377	3.0
85.02957	14.3
87.00885	4.6
89.02454	21.5
89.03964	1.7
95.01388	1.5
97.02945	3.2
99.00880	1.2
101.02445	15.4
113.02460	8.9
117.03465	3.3
119.03526	4.0
121.03011	1.3
123.04528	24.9
124.95928	0.8
125.02460	9.5
131.03459	5.5
132.02182	26.9
133.02986	5.5
134.03755	40.5
135.04543	26.6
140.62653	1.1
143.03464	1.4
149.04739	1.0
149.06061	3.8
153.05597	21.2
160.01674	96.6
161.02480	11.7
161.04572	3.1
162.02896	0.9
175.04015	60.7
176.04395	1.4
177.05569	1.2
178.02686	4.2
179.03520	2.2
179.05681	1.4
191.05690	2.1
193.05063	20.9
194.05519	1.1
215.37813	1.0
221.06720	6.6
459.15433	1.7
465.42987	0.9
477.16141	1.6
623.22021	3.3
737.25195	4.2
755.26086	21.0
794.25299	1.1
799.26202	1.4
801.27448	2.0
931.30908	100.0
932.30939	4.7
967.23499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.3
69.22996	4.0
69.23402	2.5
71.01383	24.1
72.99285	2.4
73.02950	2.4
79.50193	1.3
83.01383	2.6
85.02953	16.2
87.00887	3.5
89.02444	14.1
89.03963	2.4
95.01393	5.2
99.04500	2.0
101.02465	10.5
107.05038	1.6
109.02933	1.7
111.00932	1.2
113.02458	26.0
117.03480	3.2
117.66513	1.2
119.03494	4.4
123.04533	22.8
127.04043	2.8
131.03508	1.8
132.01239	1.6
132.02184	20.4
133.02975	14.4
134.03754	41.9
135.04539	38.0
137.02490	1.5
143.03543	2.4
149.06075	5.2
153.05591	23.1
160.01672	82.2
161.02464	33.4
161.04501	2.3
165.05580	1.5
173.76799	1.4
175.04019	66.5
176.04376	1.6
178.02731	4.1
179.03525	7.5
179.05705	1.5
191.05708	2.4
193.05074	28.5
211.06075	1.5
238.15031	1.3
297.09720	2.7
315.10919	9.9
316.11496	1.2
408.50391	1.3
461.16653	1.4
491.15652	4.5
637.21259	1.8
737.25348	1.9
755.26361	9.2
769.26489	2.2
799.26459	2.0
931.30988	100.0
932.31281	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	931.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91553	1.2
69.49746	1.2
70.59146	1.2
71.01392	22.8
71.39487	1.6
72.99316	2.0
73.02953	1.5
74.03439	1.1
81.03484	1.5
83.01392	1.9
85.02964	16.3
87.00883	3.5
89.02458	14.8
89.03986	1.4
95.01401	3.8
96.96037	1.4
99.00864	1.5
99.04521	2.3
101.02461	11.2
107.04993	1.3
107.23438	1.2
109.02928	2.2
113.02460	22.2
117.03500	3.1
119.03523	2.2
123.04529	19.9
127.04013	2.3
132.02184	25.1
133.02988	14.7
134.03758	42.2
135.04539	40.5
137.02383	1.3
149.04597	1.9
149.06093	4.7
153.05589	22.2
160.01674	83.9
161.02457	36.4
161.04507	1.5
162.02858	1.4
175.04027	55.8
178.02687	5.6
179.03497	6.0
191.05658	2.5
193.05063	28.5
206.11426	1.2
267.08899	1.6
274.34406	1.3
297.09805	3.9
315.10858	12.5
422.79184	1.4
461.16589	2.0
491.15704	4.7
537.98529	1.3
601.19897	1.4
755.26544	8.2
769.27667	1.7
799.26776	2.2
931.30975	100.0
932.31024	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	931.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.1
69.49644	1.7
69.50031	2.7
71.01385	23.7
72.99304	5.3
73.02937	2.6
81.03467	1.5
83.01399	3.0
85.02955	9.6
87.00882	6.7
89.02454	21.4
89.03980	1.4
95.01402	1.1
97.02910	4.7
99.00900	1.1
101.02451	15.7
113.02452	8.9
117.03453	2.2
119.03523	5.6
123.04535	24.3
125.02452	9.7
131.03522	5.8
132.02185	34.4
133.02986	5.5
134.03757	38.3
135.04547	32.1
137.02467	1.2
143.03528	2.2
149.04712	0.9
149.06079	3.4
150.03302	1.1
153.05595	22.9
160.01675	100.0
161.02486	12.7
161.04587	3.0
162.02870	0.8
175.04022	66.0
177.05600	0.9
178.02747	3.5
179.03511	3.3
179.05678	1.1
191.05600	1.3
193.05078	20.8
194.05284	1.2
221.06702	7.4
247.08191	1.3
315.10648	1.2
459.14822	1.9
477.16144	2.9
623.21918	3.0
656.59271	1.0
737.25360	4.0
755.26221	21.5
799.26947	2.8
882.04846	1.1
931.30951	93.1
932.31256	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	933.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02499	2.8
73.04073	3.3
76.99038	1.7
91.81060	1.5
98.21899	4.4
99.02045	4.1
109.04092	2.9
111.02019	2.2
113.03535	1.8
113.07226	3.5
116.05049	2.5
118.06625	1.9
125.03610	2.2
126.06777	2.8
128.04651	3.9
146.06114	4.9
154.57115	1.6
158.06120	5.4
160.07657	2.3
173.03813	3.2
174.05684	3.0
185.07150	4.5
186.05766	3.8
196.10916	5.4
199.08929	1.6
203.08286	30.1
220.10864	7.2
227.08731	2.0
242.09348	1.8
244.11200	14.0
248.81964	1.7
256.10861	7.0
277.13080	2.8
329.23990	2.2
407.16995	2.1
448.20135	1.9
592.28650	2.4
627.86322	1.8
652.29224	7.5
676.24536	1.8
853.37201	100.0
854.37500	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	934.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39580	1.6
73.04073	4.7
81.41027	1.6
84.00935	1.9
87.05656	1.3
88.65562	1.3
97.34776	1.2
99.02011	5.8
113.03575	1.7
113.07224	4.1
116.05074	1.4
125.07225	1.3
126.06714	1.3
148.29382	1.5
153.06720	40.6
155.08282	1.3
158.06113	1.9
161.02486	1.6
163.05087	2.4
170.09363	18.6
185.07237	1.6
186.12492	1.7
187.44916	1.5
203.08302	7.9
207.77995	1.4
212.26053	1.5
252.13527	6.8
256.11047	2.2
267.14429	1.6
323.17120	4.9
374.18253	4.5
383.86502	1.5
465.37534	1.7
477.24753	2.1
510.23611	2.4
681.33643	10.6
810.39484	100.0
811.40649	6.6
854.41559	2.5
874.32806	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	936.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	5.5
73.02952	1.0
83.01386	0.6
85.02959	4.7
87.00891	1.2
89.02442	2.2
95.01385	1.5
101.02455	1.6
105.03484	1.2
113.02457	6.8
117.03482	1.5
123.04517	0.7
131.03525	1.6
132.02211	3.0
133.02971	48.9
134.03799	2.8
135.04546	12.3
147.40443	0.5
161.02458	100.0
162.02821	1.2
174.05580	0.7
175.03979	0.6
179.03481	3.8
186.40225	0.5
193.05138	1.3
464.84116	0.5
473.80795	0.6
497.72742	0.6
501.77454	0.7
738.26526	1.9
900.29370	39.1
901.29437	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	936.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.4
71.01385	4.3
73.02950	1.0
77.03979	0.4
81.03461	0.4
83.01403	0.7
85.02956	2.5
86.00077	0.4
87.00880	1.2
89.02444	1.5
89.03975	0.5
90.93521	0.3
95.01393	0.4
97.02970	0.5
99.00919	0.3
101.02435	1.4
102.89619	0.2
105.03475	0.7
107.05032	0.3
109.02982	0.3
113.02454	4.2
115.01940	0.4
117.03484	1.2
123.04543	0.7
125.02475	0.4
127.04009	0.4
131.03510	2.0
132.02200	3.1
133.02968	45.1
134.03825	1.8
135.04533	14.1
137.02452	0.5
138.22876	0.3
149.07243	1.0
155.03606	0.6
159.04501	0.3
160.01707	0.3
161.02457	100.0
162.02788	1.6
163.03911	0.3
168.45450	0.3
179.03499	5.4
191.05676	1.0
203.08253	0.5
218.09468	0.4
230.09261	0.7
250.71172	0.3
410.15555	0.3
556.20282	0.3
730.27142	2.0
760.25940	0.6
814.83197	0.3
850.29059	1.2
892.29987	40.4
893.30328	2.9
920.58704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	22.3
73.02950	2.1
74.33154	1.2
81.03458	1.3
85.02961	25.8
87.00858	4.1
89.02473	6.6
95.01386	9.2
96.96027	8.1
97.04072	3.3
98.02499	7.6
101.02420	6.4
112.13941	1.1
113.02467	34.9
117.03455	1.5
119.03487	1.2
131.03505	5.3
132.02182	5.4
133.02971	72.6
134.03769	3.3
135.04544	16.7
147.05533	1.3
161.02466	100.0
162.02792	1.6
172.06393	1.4
173.07300	1.5
177.83784	1.3
179.03511	7.4
185.07199	4.1
191.05606	3.1
191.11865	3.5
213.10297	1.3
214.11076	2.8
217.09851	1.8
218.09358	1.7
228.07805	1.6
229.08682	1.5
230.09367	14.5
231.09761	1.2
242.02832	1.2
242.94525	1.2
260.14200	2.0
272.14032	5.1
298.11853	4.0
307.85904	1.5
316.13068	25.6
334.14063	7.0
496.19211	3.2
611.36084	1.3
642.25031	4.9
644.25836	1.2
774.29449	80.3
775.30121	4.5
936.32605	98.4
937.33405	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	936.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07715	5.1
78.95911	31.4
81.94654	0.9
84.08405	1.0
110.98560	4.6
131.54988	0.9
140.01196	6.2
152.99609	2.3
167.01147	4.1
168.82477	0.9
186.36346	0.9
196.03793	8.8
212.63968	1.0
214.04889	2.2
217.41866	0.9
228.21239	1.0
238.57703	0.9
277.19269	0.8
277.21725	38.4
293.24884	100.0
294.25229	1.9
376.17502	1.1
445.23557	30.8
490.29462	98.6
491.29880	2.6
886.91107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.8
71.01391	7.3
71.01785	0.4
71.42075	0.4
73.02955	3.6
81.03473	0.4
83.01403	1.1
85.02963	3.9
87.00873	2.7
89.02457	2.6
89.03984	1.6
95.01366	0.5
95.36314	0.4
97.02957	1.1
101.02461	4.1
104.02669	0.5
109.02934	0.5
113.02451	4.5
115.00374	0.7
117.03482	2.8
119.03514	1.3
121.02860	0.5
122.03667	0.4
122.06110	0.7
125.02472	2.4
127.04019	1.1
130.00986	0.4
132.02187	30.0
133.01500	0.5
133.02992	1.2
133.24130	0.4
134.03755	39.4
135.04520	1.2
137.02458	0.9
137.06133	0.9
139.04088	0.5
143.03535	0.6
149.06113	3.8
152.04797	1.6
160.01672	89.7
161.02452	1.9
161.04593	0.9
167.07126	1.9
170.63181	0.3
175.04016	100.0
176.04370	1.7
178.02689	3.2
193.05070	29.9
203.05589	1.1
213.10368	0.5
221.06558	0.4
239.11934	0.7
264.08896	0.4
272.19244	0.5
279.11310	0.5
285.12570	0.5
291.11630	0.5
292.08514	0.6
307.10934	1.4
329.12442	0.4
350.09302	0.4
351.09894	1.7
411.86847	0.4
455.15680	0.7
456.16064	0.5
458.22891	0.4
473.16663	0.9
474.16681	1.5
488.18521	0.6
491.17868	0.8
515.17737	2.0
520.20758	0.8
529.32953	0.4
533.18640	2.3
575.20477	0.9
579.21973	0.4
611.25677	0.5
643.28101	0.8
661.23413	1.7
679.24261	1.0
700.27063	1.3
703.24774	2.0
709.23462	5.7
721.25635	2.4
751.24573	0.7
759.28809	1.2
763.26825	2.0
791.31299	4.2
819.26984	1.5
823.34033	3.5
837.30316	0.5
879.29132	2.6
897.30359	4.9
898.30646	0.6
939.31488	16.9
940.31940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50243	1.1
71.01387	13.8
81.36449	1.4
82.08215	1.1
85.02977	3.4
88.13814	1.1
89.02454	2.6
95.01432	1.1
95.05060	1.4
96.48134	1.1
98.21928	3.5
101.02478	3.0
108.04575	1.5
113.02487	2.6
115.00407	6.9
119.03488	1.0
121.05391	1.7
122.06140	15.3
125.90140	1.2
133.01451	4.0
133.02957	2.7
134.06120	4.3
135.04549	3.2
144.04605	1.3
146.06056	1.3
161.02486	4.0
161.04822	1.5
163.53568	1.1
174.05569	2.4
178.22575	1.1
179.03493	2.5
180.06677	1.4
185.64503	1.1
188.07184	1.1
193.05193	1.4
203.05899	1.8
213.10376	7.6
215.11877	1.3
237.10300	1.4
239.11922	7.4
239.15462	1.1
241.09883	1.2
241.13477	6.3
249.10335	1.5
251.12012	1.4
263.08313	2.0
263.11874	2.0
264.09048	2.5
265.09863	3.4
267.11398	3.4
276.09036	4.6
277.09683	2.7
278.10416	1.7
279.08191	2.4
279.11441	7.2
280.12112	5.2
283.10934	1.9
285.12436	14.8
291.08273	1.8
291.11417	24.3
292.08548	4.8
292.11685	2.4
293.09244	3.3
293.12820	2.0
306.10141	3.3
307.10898	13.6
308.11661	8.5
309.12155	1.6
323.14151	1.9
335.10388	10.1
343.13254	1.4
350.09131	3.3
351.09927	11.2
352.10736	1.9
356.09991	1.2
356.13992	4.9
370.15567	3.4
371.16727	1.4
372.17435	2.3
384.13223	2.2
397.14102	1.9
398.15222	7.5
410.43311	1.2
412.16699	5.9
413.17636	6.3
414.14172	2.0
429.17102	1.5
430.17917	6.1
444.19333	2.5
456.15909	6.8
457.16156	2.3
474.16660	26.6
475.16705	2.0
488.18323	1.6
493.22153	2.4
501.61572	1.3
520.20947	2.4
535.23578	3.8
579.22516	6.1
611.25055	12.9
637.23242	1.7
643.27814	10.6
644.28455	1.5
654.23352	10.2
686.25183	2.3
700.27356	7.1
715.30157	1.4
759.28900	34.3
760.29474	2.2
791.31519	100.0
792.31482	9.8
823.34137	75.5
824.33972	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	939.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31163	6.7
71.02508	1.4
73.04081	7.0
82.02984	2.5
83.12100	1.4
87.05620	2.7
94.06626	1.8
95.02495	5.0
96.00923	45.1
96.95967	1.9
97.04099	2.9
98.02473	9.6
99.02004	9.0
109.04063	6.3
110.02475	2.9
111.02041	1.5
111.05681	1.7
113.03574	4.0
113.07226	27.6
115.08775	3.8
116.05089	14.4
119.05070	6.8
123.03250	6.3
123.05697	2.9
125.07204	4.6
127.05177	14.8
128.03551	17.6
129.10353	5.3
133.02971	3.4
135.04561	2.0
135.05630	3.3
137.07167	2.8
138.05644	11.5
139.05145	4.0
139.08717	1.8
141.06680	5.9
141.53682	1.4
142.06616	2.7
144.07813	4.9
145.02963	3.8
146.06091	3.1
149.07173	2.3
152.08322	7.2
153.06718	14.3
154.56746	1.4
155.08292	4.0
161.02467	5.9
166.06224	6.0
167.04596	2.5
167.08299	7.9
167.11815	1.7
170.09364	100.0
180.07870	11.0
181.06200	13.1
182.09419	1.8
184.07294	12.6
185.07201	3.9
193.13437	5.4
194.13144	1.8
195.11473	3.4
198.08818	8.8
199.07312	1.9
200.14008	3.1
207.08838	3.9
209.10400	6.7
210.08823	2.8
210.16109	1.7
212.14066	22.5
214.08620	2.7
223.11977	1.7
224.10323	2.7
227.11583	8.1
228.07849	2.5
228.10295	4.9
239.15143	2.3
241.13115	3.4
277.13138	2.0
278.11438	2.8
298.15042	2.3
299.15140	31.6
307.21442	12.5
313.13034	3.1
325.22467	14.7
334.15140	2.4
341.19806	2.2
359.20895	2.7
396.25909	2.4
404.73450	1.5
453.28137	2.3
481.22241	11.5
578.23816	4.6
692.31451	3.4
736.41309	4.6
842.45673	59.3
843.45154	2.1
921.43695	5.1
939.44421	96.5
940.44153	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	939.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45039	3.6
73.04078	6.1
87.05639	2.8
95.02541	4.2
96.00928	42.4
97.04054	2.9
97.37991	3.3
98.02486	3.8
98.21899	2.9
99.02028	4.3
109.04076	3.6
112.04007	2.6
113.03571	4.7
113.07220	20.4
116.05098	5.5
119.05047	12.5
125.07191	2.3
126.06672	3.3
127.05126	6.2
129.10368	10.5
135.05736	2.5
139.05081	3.5
139.08795	3.6
144.07793	10.7
145.02954	5.2
152.08308	6.0
153.06744	15.7
161.02469	7.1
165.10326	4.9
167.08241	5.1
170.09363	58.7
172.07599	3.1
179.03445	2.7
192.57520	2.2
193.13484	7.4
195.11456	6.0
200.14046	6.0
207.08968	4.5
209.10500	14.0
212.14082	16.6
224.10324	3.7
227.11511	11.0
228.17188	4.3
239.15230	2.7
298.15393	4.7
299.15143	13.9
307.21350	24.2
325.22449	30.4
335.24670	3.1
396.26022	9.2
427.20911	3.1
453.28387	5.4
663.63525	2.6
713.39758	3.0
736.41602	10.8
842.45746	100.0
843.45502	11.1
939.47083	44.7
940.46094	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	939.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00915	0.7
67.43452	0.7
67.50951	0.7
71.06533	0.7
77.01105	0.6
88.50475	0.7
93.97098	0.7
98.22525	0.7
117.19627	0.7
161.02469	0.8
205.63512	0.6
219.40085	0.7
274.11600	0.9
277.54980	0.7
309.65976	0.7
406.39371	0.7
424.61395	0.7
460.89960	0.7
573.79425	0.7
574.99683	0.8
617.85114	0.7
683.93829	0.8
724.84467	0.7
776.83051	0.9
903.65924	2.0
939.64246	100.0
940.64154	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	941.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.6
71.41354	1.4
74.95930	1.4
83.01396	4.3
85.02959	100.0
94.84054	1.5
95.56535	1.4
96.30262	1.4
103.00398	1.4
111.00892	8.7
121.02980	6.1
125.98571	1.3
129.01955	28.7
134.03745	6.9
147.03021	8.3
153.05597	5.0
165.94386	1.4
173.00920	11.9
175.03944	3.6
179.18866	1.5
191.01971	19.3
193.05051	3.8
197.04567	16.6
271.85477	1.6
323.07773	2.5
327.07120	3.0
357.12024	2.0
367.06586	2.7
371.06250	18.8
375.12964	21.8
389.07169	2.9
507.63708	1.7
565.12115	4.5
874.17542	1.6
951.11877	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	941.257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	0.9
69.67393	0.9
70.22406	0.7
71.01393	2.9
71.39883	0.8
72.99317	1.5
73.02960	1.0
75.00879	1.4
79.43098	0.8
83.01411	4.5
84.02190	1.4
84.90582	0.8
85.02959	100.0
87.00907	1.6
87.12898	0.8
111.00900	10.0
115.00344	1.4
121.02991	4.3
129.01961	29.8
134.03755	9.8
135.04649	1.3
147.03021	12.9
149.06105	1.5
153.05566	3.4
160.01712	0.9
173.00937	9.6
175.03989	1.5
183.10289	1.3
191.01999	27.1
193.05061	11.1
197.04538	9.3
206.73543	0.9
209.03073	1.1
253.91400	1.0
261.07867	1.3
265.07220	1.4
273.30191	0.8
323.07681	1.7
327.07202	4.8
357.12039	1.8
367.06714	7.6
371.06229	7.5
375.08463	1.6
375.12997	22.2
375.17731	1.6
385.07678	2.4
389.07336	2.6
488.98682	0.9
520.40887	0.9
565.11664	4.1
806.20813	0.9
865.15369	0.8
921.89777	1.0
954.20953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.7
71.01385	28.8
71.40534	0.7
72.99313	4.7
73.02952	1.4
75.22900	0.6
83.01437	0.6
85.02952	3.7
87.00863	1.8
89.02445	5.0
96.95993	0.9
101.02445	2.4
105.03493	0.7
113.02460	4.6
115.00381	60.2
117.03476	1.4
119.03496	0.8
119.05017	1.9
123.04532	0.7
131.03485	2.1
131.48601	0.5
132.02191	3.0
133.01436	100.0
133.02968	36.0
134.03741	1.7
135.04553	8.5
137.06065	0.7
155.03479	0.7
157.01416	1.3
160.39624	0.5
161.02454	88.1
162.02794	1.4
179.03514	3.6
183.10278	1.0
193.05080	0.8
209.02852	0.5
230.01807	0.6
445.16934	0.7
619.22559	1.8
641.92572	0.6
739.24664	4.2
763.24207	1.1
781.25659	62.0
782.26147	1.4
807.23962	4.7
825.32172	1.8
870.53540	0.6
875.97900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.273
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.5
68.99812	0.6
69.49615	1.7
71.01386	2.8
72.99323	1.1
73.02941	1.1
74.82404	0.4
75.00890	2.0
76.31591	0.4
83.01390	4.3
84.02163	1.0
85.02957	100.0
86.03296	0.5
87.00880	1.0
101.02449	1.1
103.00400	0.6
106.00572	0.7
111.00887	9.5
111.01651	0.6
115.00394	1.1
121.02962	3.9
123.00922	0.5
129.01955	24.3
134.03740	3.3
138.03204	0.6
145.01413	0.6
147.03006	10.6
149.06120	0.8
153.05592	2.5
160.01678	2.3
166.99896	0.5
173.00932	13.0
175.03978	2.3
182.02272	0.7
185.11819	2.1
191.01991	30.3
193.05106	2.6
197.04573	8.1
197.06378	0.5
209.02992	0.6
265.07004	0.5
271.02560	1.0
272.02951	0.5
300.02792	2.4
301.03226	1.1
323.07907	2.3
327.07184	0.8
359.13483	2.6
367.06720	1.5
371.02310	0.4
371.06192	14.5
377.14548	27.0
389.07339	3.3
565.12244	1.2
609.15302	2.3
610.14752	2.2
611.14825	2.2
782.15454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55360	0.6
69.70131	0.7
96.96025	4.7
107.43853	0.8
116.92831	4.1
117.92883	2.1
118.92666	1.8
119.94715	100.0
157.62016	0.7
253.52298	0.7
326.65253	0.7
653.68188	0.8
663.45685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85182	0.8
69.03440	1.7
69.26014	2.6
69.26443	2.6
71.01387	18.7
72.99310	2.2
73.02951	1.8
83.01374	1.8
85.02955	7.6
87.00888	5.0
88.35774	0.9
89.02454	15.5
89.03994	1.7
91.59835	0.9
95.01420	1.3
97.02976	2.7
101.02454	9.2
111.00916	1.5
113.02460	7.5
117.03455	3.6
119.03506	2.5
119.04955	1.1
121.02962	1.2
125.02441	5.9
131.03500	3.3
132.02190	28.6
133.02943	3.4
134.03763	48.4
135.04626	2.0
137.06218	1.4
139.04024	1.3
143.03532	1.6
149.06075	5.1
151.29587	1.0
152.04793	2.5
160.01675	100.0
161.02466	8.2
161.04536	2.2
167.07161	2.5
175.04016	89.9
176.04411	1.0
178.02689	3.8
179.03474	1.5
179.05597	3.2
193.05074	26.2
221.06680	4.5
268.83792	0.8
305.08844	1.1
476.14200	0.8
495.59134	1.3
545.43707	1.0
751.27332	4.7
769.27838	21.0
783.26624	1.8
825.26935	1.1
945.32440	53.2
946.33154	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	945.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.4
69.63438	2.0
69.63787	2.3
71.01383	16.5
72.99325	1.5
73.02942	2.7
81.03484	0.8
83.01384	1.2
85.02960	16.5
87.00876	3.6
89.02448	9.3
89.03936	1.2
95.01388	4.3
97.02959	1.5
99.04462	1.0
101.02455	7.4
109.02952	1.5
113.02460	22.9
117.03458	3.1
119.03492	1.7
125.02406	1.0
127.04007	1.2
131.03497	2.6
132.02187	26.1
133.03004	4.8
134.03757	54.9
135.04504	2.9
143.03548	1.0
149.06094	4.4
152.04796	2.3
160.01672	100.0
161.02454	9.7
161.04486	1.5
163.83192	1.0
167.07173	3.3
175.04021	76.6
176.04398	1.5
178.02707	3.5
179.03464	3.6
179.05740	1.2
191.05554	1.7
193.05081	24.9
275.09253	1.2
280.02954	1.1
329.12408	2.4
505.17282	5.1
615.20941	1.4
651.22821	1.8
697.89819	1.1
751.26776	3.9
769.27850	12.2
931.99884	1.0
945.32458	60.2
946.32269	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	945.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	0.8
87.36556	0.3
94.66742	0.3
145.23584	0.3
154.48241	0.3
158.93588	0.3
186.70520	0.3
195.87411	0.3
221.15688	0.4
243.52513	0.4
243.82739	0.3
277.79581	0.3
317.21259	2.3
376.04916	0.4
398.43179	0.3
438.13205	0.5
451.14450	0.4
452.14737	1.5
479.17282	0.4
480.14349	1.1
481.14862	3.9
493.15326	0.7
494.15988	0.9
495.16782	8.9
496.17032	0.6
498.15503	0.4
508.18213	1.5
509.18481	0.8
521.14673	0.5
522.15289	0.4
523.17194	0.3
533.18158	0.7
535.16370	1.5
536.17023	2.2
539.15448	0.4
540.16766	3.0
541.16522	0.5
550.18640	0.4
551.19427	31.9
552.19653	2.2
553.17084	0.6
554.18219	2.7
555.18268	0.4
572.15790	1.9
583.22253	0.6
586.17102	1.5
595.18494	2.1
627.21039	100.0
628.21326	6.8
945.43286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22063	100.0
81.15793	19.7
90.81592	21.0
96.96037	22.6
98.21882	37.0
99.01994	19.8
102.53658	18.1
114.76177	18.0
117.53188	17.8
119.05061	21.8
133.02956	19.9
139.97850	15.5
161.02422	25.2
297.43228	20.8
313.44043	18.1
407.07855	16.6
637.70526	20.2
785.68622	21.2
810.39355	19.9
862.39313	26.6
863.40015	84.5
882.44818	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63298	0.8
81.03458	3.8
83.05026	11.4
88.98751	0.8
98.22638	1.7
105.24689	0.9
133.02979	2.2
135.04559	1.2
136.78766	0.9
161.02417	4.4
161.13315	0.9
171.17218	0.9
175.03929	1.2
179.03438	1.2
225.16101	6.9
274.40509	1.1
309.21994	1.1
433.32373	1.1
451.32880	5.6
537.53906	1.0
677.49634	1.0
784.26361	1.1
903.66608	100.0
904.67212	7.8
946.66406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.5
67.73639	0.4
69.95909	0.4
71.01393	8.9
73.02937	1.3
75.16396	0.4
83.05005	0.4
85.02962	16.2
85.03486	0.9
87.00870	2.8
89.02445	4.4
93.03462	4.2
95.01392	3.5
99.04532	0.6
101.02445	2.1
109.02938	1.0
111.04531	0.9
112.48151	0.5
113.02460	16.6
119.03522	0.5
123.04558	1.1
127.03991	2.2
131.03522	1.5
133.02966	2.1
135.04538	14.3
150.49619	0.5
153.05664	0.6
161.02411	1.4
171.02971	0.7
173.04526	2.0
179.03494	0.7
191.05627	100.0
192.05945	2.2
291.99036	0.6
303.23447	0.5
315.10904	2.3
351.07291	1.3
352.07471	0.6
353.08810	8.4
438.05618	0.5
461.16696	4.4
475.65549	0.6
593.20911	81.3
594.21112	3.9
790.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	25.1
72.99327	1.4
73.02937	2.3
82.02972	0.8
83.01392	1.9
85.02953	24.7
87.00880	6.8
89.02449	9.7
89.03899	0.9
95.01397	8.6
97.02915	0.9
99.00894	1.2
101.02457	5.0
105.03464	1.4
113.02457	38.8
117.03413	1.7
119.03544	1.3
131.03508	9.8
132.02208	4.3
133.02965	45.4
134.03802	4.5
135.04544	27.7
143.08560	0.8
160.01682	1.1
161.02457	77.6
162.02766	1.9
179.03529	9.5
189.10316	4.1
191.05632	3.5
199.08771	3.3
201.10321	10.4
203.11839	2.4
213.10321	1.4
256.14484	2.2
268.14655	1.3
274.15652	1.4
312.13553	3.4
330.14569	3.3
332.54880	1.1
348.15625	1.2
509.86447	0.9
788.31110	10.3
932.32849	3.8
950.34155	100.0
951.33905	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	951.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	2.0
73.61735	0.8
79.88358	0.8
83.01395	4.4
84.02155	1.2
85.02956	100.0
86.03298	1.5
111.00883	11.6
121.02952	11.9
129.01952	41.4
132.02171	1.0
134.03732	9.3
135.04485	0.8
138.03191	1.2
139.00389	0.9
147.03003	10.2
149.06076	1.5
153.05600	8.2
153.42413	1.0
160.01637	2.8
173.00916	18.3
175.04033	6.2
178.02702	2.4
182.02200	1.4
191.00206	1.2
191.01982	20.7
193.05106	7.5
197.04553	23.7
209.03015	8.4
217.87863	0.8
234.09816	0.8
261.07721	2.3
265.07275	2.1
323.07825	5.5
327.07138	3.5
349.05667	0.9
367.02609	1.0
367.06659	5.2
371.06189	24.2
385.07645	5.8
389.07150	4.9
447.63678	0.8
565.11969	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	951.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	4.7
72.50300	0.5
73.02943	0.9
83.01392	0.9
85.02960	3.2
87.00885	1.3
89.02438	1.7
90.14665	0.5
95.05052	0.6
98.21825	1.1
101.02484	1.3
105.03474	1.0
110.62994	0.4
113.02483	3.5
117.03439	2.4
123.04533	0.9
125.02427	0.6
131.03519	1.7
132.02150	3.7
133.02966	51.6
134.03831	2.4
135.03510	0.7
135.04536	13.3
160.01695	0.7
161.02457	100.0
162.02818	1.4
176.21440	0.4
176.43613	0.5
179.03516	5.7
191.05577	0.7
193.05128	0.6
228.75687	0.5
248.84653	0.5
274.04129	0.5
304.03650	0.5
381.22729	0.4
633.61035	0.6
703.63226	0.5
745.26575	2.4
775.25983	0.7
865.28912	0.7
907.29919	39.9
908.30072	1.9
928.94733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03011	8.6
69.11237	9.6
72.12862	1.2
73.04071	10.1
84.00932	2.8
85.29965	1.3
93.03471	3.3
93.04594	6.9
95.02519	4.8
99.02010	10.1
106.04147	1.7
108.05700	6.2
111.02016	3.5
112.07619	1.6
113.03596	10.1
113.07224	21.8
114.05603	2.7
116.05040	11.4
118.04111	1.5
118.06617	2.7
119.05043	14.8
120.05712	2.0
125.03598	4.3
125.07195	1.5
129.10411	3.7
130.06247	2.7
131.05003	3.3
132.05693	21.2
133.02974	5.8
134.03639	12.5
135.04530	2.4
136.05182	2.8
138.39995	1.5
139.05157	5.1
139.08835	1.7
147.06856	1.6
151.05130	1.8
152.07204	1.4
152.08334	2.1
153.06705	13.2
154.21237	1.4
155.08267	7.7
158.06123	4.5
161.02470	6.9
164.04703	3.1
165.06686	3.0
167.04648	1.8
170.09366	25.3
174.05629	2.4
176.04671	12.6
179.03386	1.6
179.04732	1.8
181.13480	2.6
188.04726	3.2
193.07304	16.8
200.10829	2.4
201.06693	3.5
202.05141	3.3
208.14536	2.3
209.10487	1.5
209.12976	3.7
219.07765	3.2
226.15611	23.6
227.11620	1.6
228.10390	2.1
233.10548	3.4
242.11958	7.6
243.11447	9.8
253.91948	1.6
267.14615	3.8
297.16257	1.6
299.11526	16.6
312.20718	2.0
346.19333	1.4
397.18918	3.3
470.27591	2.9
607.32349	11.9
624.35187	29.4
865.16266	1.6
907.44727	100.0
908.45087	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	951.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81898	1.7
78.95905	20.1
99.75133	1.0
118.94650	1.0
127.31517	1.5
152.99608	24.7
227.03334	2.1
257.73257	1.1
277.21750	58.2
278.22098	1.4
505.25790	100.0
506.25711	1.3
518.45715	1.2
618.20532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	12.6
91.98196	0.9
92.34316	0.8
110.98535	8.5
130.00327	0.9
142.90076	0.8
167.01134	7.0
185.02217	3.1
277.21729	100.0
278.22125	1.5
279.23300	3.2
302.66971	0.8
445.23608	74.5
446.23834	1.5
507.27469	3.7
543.37640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28983	2.8
71.01404	4.4
79.96235	2.9
83.01382	7.0
85.02961	100.0
98.88631	3.4
101.02438	3.7
102.95544	2.8
111.00871	12.1
118.63085	3.0
121.02979	7.7
122.36436	3.3
129.01952	45.3
134.03761	13.9
147.03006	11.5
153.05518	7.7
161.02467	3.8
173.00923	20.6
191.01984	10.3
193.05054	12.3
197.04604	17.9
209.03043	3.5
265.07266	4.8
323.07803	5.4
327.07281	11.1
338.43420	3.4
367.06622	15.9
367.38425	3.2
371.06216	23.9
385.07904	4.0
387.16660	14.1
389.07147	8.1
396.70224	3.4
403.15668	4.4
405.77362	3.1
406.36938	3.3
729.86945	3.6
829.20636	4.2
880.59100	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	953.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41240	4.2
69.31614	13.9
69.32023	6.9
71.01379	14.3
71.53279	3.6
73.02942	5.8
80.99829	3.8
82.37971	4.1
85.02947	9.4
88.98802	9.3
89.02448	6.9
98.21902	8.5
101.02427	8.8
113.02448	4.7
122.06124	17.7
133.02960	5.4
134.06078	7.7
137.36696	4.5
145.31380	5.2
161.02496	5.8
174.05579	4.2
179.03551	4.9
211.08687	4.1
213.10333	25.4
222.45615	4.0
234.62228	4.1
239.11943	11.7
241.13542	11.1
267.11392	18.3
285.12488	57.1
325.11948	5.5
329.15439	4.9
342.12393	4.6
353.80328	4.0
356.14041	10.6
370.15570	9.8
397.14163	9.4
398.15234	20.2
412.16849	11.7
413.17615	8.4
493.22534	7.8
535.23529	11.2
561.21606	17.1
579.22522	33.6
611.25159	44.6
621.23450	6.2
653.26007	15.0
704.35907	7.1
741.28040	6.8
759.28882	95.5
760.29053	5.0
791.31525	100.0
792.32428	4.5
833.33044	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	953.517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31907	1.4
69.30353	6.3
70.30251	1.6
78.95908	11.8
102.61936	1.5
110.98540	2.7
117.08588	2.0
152.99611	14.3
227.03284	1.9
248.77534	1.6
269.98145	1.7
270.41583	1.5
277.21799	12.0
278.22058	3.6
279.23312	95.5
445.23550	9.2
446.23767	6.5
507.27310	100.0
508.27780	3.8
619.73431	1.8
784.57654	1.8
840.08051	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	955.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97974	1.1
71.01385	14.9
73.65156	1.3
80.74786	1.1
84.99622	1.1
85.02951	4.5
89.02448	8.8
90.11380	1.2
94.06638	2.0
95.05044	2.6
96.95979	1.3
98.22688	3.7
101.02438	5.6
107.03780	2.2
113.02462	3.7
119.03496	2.8
120.08194	3.2
121.05318	1.8
122.06128	27.5
131.87160	1.1
134.06146	4.5
136.07649	1.9
140.03833	1.3
144.04552	2.1
146.06187	1.5
161.04922	1.5
174.05614	6.8
188.07178	1.3
188.33125	1.2
203.05927	2.1
215.11897	4.7
223.08759	2.2
236.09676	2.5
237.10327	4.8
239.11885	3.8
241.13470	5.2
250.07607	1.4
250.11026	1.7
251.08322	3.0
251.11873	11.2
252.12700	1.6
263.08286	3.6
263.11826	1.8
264.09000	6.0
265.09869	4.3
267.11667	1.7
276.08905	1.9
277.09857	8.3
278.10556	5.9
279.11432	3.8
280.08792	1.4
283.10779	2.0
287.14017	4.4
290.10678	1.5
291.11356	7.7
292.12189	4.5
293.12903	7.5
295.10986	2.0
296.11526	2.1
319.10904	3.8
325.11993	2.7
329.11719	1.3
335.10254	1.5
336.11038	2.1
337.12082	2.2
337.21268	1.2
342.12518	4.4
343.13138	2.5
344.14105	1.9
351.13553	2.4
352.13846	1.5
356.14081	3.0
358.15802	7.9
359.16409	3.4
363.42404	1.2
370.11871	5.0
370.19504	1.8
371.12534	1.4
372.13266	1.9
372.17361	7.7
373.17981	4.7
374.18765	2.6
383.13043	1.4
384.13174	2.6
385.14343	5.0
386.15207	5.4
387.15610	1.8
397.17865	1.8
398.15088	7.3
399.15982	5.7
400.16757	9.0
412.16794	1.6
413.17575	2.6
414.18301	12.5
415.19043	3.5
418.17834	7.6
425.60364	1.4
425.66022	1.3
426.14658	7.1
440.16226	5.1
441.16797	5.0
458.17303	4.2
459.18036	5.3
472.18741	3.5
473.19525	17.8
474.20178	3.5
490.19772	3.0
495.24030	8.7
521.21838	1.6
537.25116	7.0
563.22510	6.5
569.27734	1.5
581.24091	14.7
595.25647	90.9
596.25922	4.3
613.16693	2.5
613.26666	48.9
614.27344	2.1
637.26782	2.1
655.27820	9.8
675.30725	1.9
717.30701	3.5
743.28979	7.8
761.30450	28.7
762.31287	1.7
775.31958	56.5
776.32385	2.4
793.33112	100.0
794.33801	4.5
835.34595	5.2
860.54431	1.4
923.35797	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	955.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32925	1.7
70.36098	4.3
71.01389	17.1
83.01387	2.2
85.02961	9.2
85.64413	1.9
87.44668	1.5
89.02451	8.8
94.06593	3.5
94.29766	1.7
95.01372	2.2
95.05013	3.9
95.83369	1.6
96.36174	1.5
101.02451	7.2
107.03741	2.8
113.02440	6.1
119.03499	3.1
120.08236	3.8
122.06118	29.8
134.06087	4.6
135.04515	1.7
136.07678	3.9
144.04520	4.8
159.17032	1.6
161.02467	3.4
161.07211	1.9
162.05685	2.1
163.30168	1.6
166.38228	1.6
173.04857	2.6
174.05586	7.6
175.06174	2.1
176.04639	1.8
179.03432	1.9
203.05817	5.3
204.74562	1.7
214.83994	2.0
215.11951	6.1
223.08672	2.7
236.09676	2.8
237.10361	4.8
241.13434	7.0
243.15021	3.7
250.11058	2.3
251.11906	10.5
263.08133	3.3
263.11938	2.1
264.09012	8.4
265.09756	2.9
265.13599	2.2
269.13013	2.2
276.09006	3.7
277.09772	8.3
278.10620	8.1
279.11292	4.1
283.10788	2.8
285.12402	2.0
287.14008	5.6
291.11319	6.6
292.12231	5.8
293.09637	2.7
293.12943	6.7
294.10156	3.1
295.10840	2.7
296.11618	2.0
319.10855	6.2
321.12521	1.9
325.11868	4.4
336.11279	2.3
337.12140	2.6
342.12561	2.2
343.13492	2.0
344.14053	2.6
352.14423	2.3
356.14011	2.5
357.15112	2.3
358.15500	8.6
359.16284	4.6
370.11765	6.4
371.12491	2.0
372.13443	3.7
372.17178	10.7
373.17850	4.8
374.18561	3.1
384.13556	5.7
385.14255	5.6
386.14999	8.3
398.15189	8.2
399.15662	5.1
400.16705	9.4
413.17261	4.1
414.18390	13.0
415.18845	6.5
418.17761	7.8
426.14523	9.4
440.16165	3.2
441.16852	7.4
458.16925	6.4
459.17908	6.0
472.18643	3.8
473.19504	15.2
474.20276	5.0
490.20245	3.5
495.23883	7.5
513.09998	2.0
537.25244	8.8
563.23083	9.5
569.28094	2.4
581.24310	20.7
595.25659	90.2
596.25873	5.4
613.26654	44.3
614.26996	3.8
637.27362	2.5
655.28040	12.4
717.32068	4.7
743.29364	7.2
761.30438	32.7
775.31964	52.4
776.32428	3.0
793.33069	100.0
794.33002	4.7
835.33813	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	956.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36376	3.0
71.02512	1.0
73.04082	4.3
74.87849	0.7
81.02218	1.5
82.02992	2.4
83.02509	1.2
84.00912	0.8
85.04070	1.7
87.05647	2.4
88.04044	1.5
91.05561	0.7
94.56638	0.6
97.04084	3.6
98.01181	0.7
98.02480	1.2
99.02011	5.5
99.05655	2.5
109.01711	1.2
109.04080	7.2
110.02484	1.0
110.06130	0.6
111.02007	1.8
111.05671	1.3
113.03587	1.6
113.07220	29.5
115.08755	0.8
116.05094	2.3
118.06654	0.7
124.07666	1.5
125.03576	2.6
125.07229	1.4
126.05767	1.2
126.06731	6.4
127.05164	5.7
136.05080	0.7
136.11348	1.2
137.07246	0.7
138.06735	2.2
139.05136	2.1
140.07210	0.8
140.38469	0.6
141.06738	1.2
141.10271	0.8
142.06178	0.9
144.07803	22.7
146.06136	11.5
147.05913	0.8
148.07712	0.7
151.07648	0.7
151.08801	1.6
152.04733	0.7
152.07166	5.8
153.06721	2.3
154.06230	2.0
155.08174	0.9
156.07770	1.5
158.02901	0.7
158.06174	1.4
165.13968	1.1
167.08278	0.8
168.07835	0.6
168.11426	1.2
169.04982	1.0
169.09843	5.5
170.05728	8.2
170.09439	1.2
171.20195	0.7
173.03847	0.8
178.06212	1.4
180.07782	0.9
181.13451	3.8
184.07613	0.7
186.09268	3.3
186.12462	1.7
187.05426	0.7
191.11952	1.3
192.07825	1.6
195.11395	0.9
196.06139	1.4
199.12425	1.4
200.18604	0.6
201.07036	2.6
203.08241	4.0
208.14558	0.6
209.10501	2.5
209.12967	12.2
211.08827	2.0
212.07100	3.8
215.11830	1.1
225.10162	0.8
225.13666	1.0
226.15643	2.9
227.11497	3.2
229.09709	2.9
243.11348	2.4
254.10176	1.1
255.11389	0.8
257.10718	4.0
259.09183	1.5
260.07611	4.3
260.14072	6.0
275.11819	6.0
277.10196	8.4
282.16144	1.6
305.19958	2.9
317.15927	0.9
323.20801	2.0
330.12729	0.9
339.14664	1.5
341.07468	0.7
348.14047	1.0
357.15601	1.5
373.17072	2.5
387.14917	0.8
391.18094	3.5
405.15988	7.1
458.06488	0.7
471.23770	1.1
519.23914	6.7
567.12878	0.7
882.46326	0.8
908.43402	2.4
926.44788	8.5
938.45093	4.0
956.45660	100.0
957.45911	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	956.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07121	2.9
69.05394	16.7
69.05803	4.4
69.55759	2.4
73.04061	10.5
73.07310	2.6
87.64878	2.5
88.98805	3.3
99.02006	13.0
109.02876	5.0
113.02430	3.3
113.07181	13.6
116.05043	5.8
133.02962	11.3
135.04521	9.2
139.05171	3.3
146.06096	7.6
153.06729	4.8
156.07838	11.3
161.02444	23.1
167.08255	12.4
170.09383	28.0
179.03430	5.2
185.07193	25.1
193.19049	2.5
199.12399	6.6
200.07147	4.1
202.09755	3.5
203.08221	3.7
210.12445	5.7
227.15167	15.9
243.11423	17.1
254.65671	3.0
269.17273	4.3
281.16159	9.4
285.13589	3.8
299.15097	15.5
305.17328	3.5
354.82538	3.4
463.45700	2.7
474.71088	2.9
526.44781	2.9
531.29767	3.9
669.15027	3.1
709.13446	3.5
814.43860	7.8
912.44000	24.1
956.46417	100.0
957.46008	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	956.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03471	3.5
96.40760	2.4
98.02501	9.0
98.22693	7.3
113.06502	5.0
113.07226	55.6
119.05054	6.4
129.10402	4.3
130.09833	4.6
133.02898	3.3
140.07237	2.8
146.06133	41.1
148.35907	2.5
151.07507	3.3
152.07208	2.8
153.06705	8.1
155.08296	3.4
156.07724	3.3
161.02399	5.9
165.10246	3.0
169.09854	4.9
170.09375	3.4
172.12106	2.6
182.13002	7.4
183.11368	5.6
184.10912	3.5
208.14590	3.5
209.14056	3.3
210.12448	7.3
214.12416	3.0
227.15187	40.2
235.67030	2.6
241.13594	3.0
259.14474	7.2
260.14075	12.1
269.17346	15.6
279.18045	3.0
298.24869	2.9
316.16580	4.6
322.22675	3.6
382.25125	2.8
437.12985	2.7
507.34238	2.9
526.01141	3.2
697.41473	22.6
789.43994	21.8
850.49792	12.1
914.51740	6.5
956.53735	100.0
957.54266	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	959.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01093	0.5
71.01398	5.6
83.01372	0.6
83.60404	0.4
85.02956	4.8
87.00883	1.4
88.98804	1.5
89.02435	1.8
95.01395	1.0
97.29015	0.5
98.21901	1.5
101.02445	1.4
105.03471	1.1
105.54813	0.5
113.02453	7.2
117.03485	1.3
128.90175	0.5
131.03569	1.0
132.02170	2.6
133.02968	50.4
134.03813	2.3
134.95857	0.5
135.04535	12.6
149.88350	0.5
157.43024	0.6
159.03247	1.1
160.01703	0.7
161.02458	100.0
162.02754	1.0
173.73776	0.5
174.05627	0.9
179.03519	4.0
277.04974	0.5
321.12668	0.7
466.89703	0.6
512.45117	0.5
761.28497	1.2
923.30963	45.2
924.31323	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	959.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18692	1.2
71.01408	0.3
78.95906	6.0
79.87282	0.2
80.35762	0.2
96.02016	0.2
96.68891	0.2
110.98541	4.6
167.01175	1.4
185.02213	4.5
233.22760	0.3
259.20718	0.4
275.20123	0.5
277.21735	100.0
278.22083	3.5
369.32870	0.2
445.23621	48.0
446.24002	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	961.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62260	5.1
72.22631	2.7
83.68748	2.5
103.39676	2.7
133.02866	2.9
150.76839	3.3
153.06720	25.3
170.09404	9.8
203.08394	5.0
210.12857	2.8
243.54219	2.7
252.13428	3.9
298.81638	2.5
311.43326	2.7
323.17401	3.5
461.13464	2.7
503.01236	3.2
681.33569	10.8
780.47449	3.3
810.39539	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	963.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96445	1.2
69.27386	7.1
71.01374	5.6
78.27917	1.2
80.11305	1.2
82.35813	1.3
85.02951	4.0
88.44479	1.4
89.02450	2.9
94.40575	1.3
95.01406	1.6
96.95975	2.1
98.21884	2.7
100.15925	1.5
113.02444	8.3
117.03439	1.7
131.03545	2.3
132.02135	3.3
133.02974	49.3
134.03775	2.3
135.04550	14.0
145.22211	1.5
161.02463	100.0
179.03542	9.7
193.04965	1.8
273.00845	1.6
522.60168	1.5
573.36926	1.4
605.68359	1.4
611.73743	1.7
738.26434	3.1
747.51416	1.6
900.29340	55.6
901.28363	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	963.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24389	7.6
71.01376	6.8
78.95886	2.4
85.02954	6.2
87.00869	2.4
89.02438	3.1
95.01382	2.4
96.96017	2.6
99.39579	2.1
113.02461	7.4
117.03501	2.1
127.66656	1.6
131.03563	1.8
132.02150	4.2
133.02965	47.1
134.03769	2.2
135.04515	15.2
136.52144	1.7
161.02458	100.0
162.02733	3.2
174.45720	1.7
179.03514	7.9
193.05051	2.6
209.53061	1.9
239.62653	2.3
245.93623	2.2
322.46591	1.7
376.42200	2.0
681.73676	2.0
869.61444	2.1
900.29388	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.3
75.35946	0.3
79.86069	0.3
81.03465	6.8
83.05033	15.5
85.02957	1.1
89.02431	0.4
99.00874	0.6
100.07693	0.5
101.02438	0.6
102.62378	0.3
102.99800	0.3
108.04595	0.5
113.02429	0.6
113.70143	0.4
125.07217	0.7
126.05599	0.7
135.04538	1.0
143.08290	0.6
161.02443	1.0
161.04529	0.4
163.03877	0.3
179.03531	0.6
191.02167	0.3
207.14999	0.9
208.29982	0.4
224.17714	2.3
225.16083	11.1
226.81712	0.4
242.18832	0.7
301.40479	0.3
309.21802	0.6
323.30740	0.3
329.57755	0.4
341.29199	1.0
347.17209	1.1
367.27118	1.2
433.31796	1.5
450.34607	1.2
451.32922	8.8
535.38422	0.4
550.43146	0.5
567.46179	0.8
593.44159	0.5
657.24652	0.4
677.49597	1.9
776.60425	0.6
782.62939	0.4
885.64929	0.7
903.66595	100.0
904.66919	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	964.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36806	3.3
71.01389	16.7
73.02937	3.1
82.02963	0.9
83.01408	1.2
85.02475	1.3
85.02959	19.4
86.00066	1.3
87.00879	5.1
89.02440	7.5
89.03970	1.2
95.01392	7.1
98.02494	1.3
98.21863	2.0
99.04572	0.8
101.02444	4.8
103.04017	1.1
103.53376	0.7
105.03474	1.2
113.02465	29.8
115.49153	0.8
117.03477	2.5
119.03480	1.2
121.86272	0.8
125.02397	0.8
131.03519	6.3
132.02229	4.1
133.02974	31.4
134.03769	16.8
134.76854	0.9
135.04538	20.2
143.03473	1.2
151.09755	0.9
160.01686	8.6
161.02461	56.7
162.02760	1.0
168.80334	0.8
175.04028	5.3
179.03514	7.9
191.05565	1.7
193.05086	5.2
203.11870	3.5
204.03384	0.9
213.10349	1.3
215.11925	6.5
217.13426	1.5
221.23787	0.9
256.65686	1.0
286.15692	1.5
326.15054	2.9
344.16055	2.2
400.96344	0.9
497.71396	1.1
582.49878	0.9
802.32172	10.1
903.29498	0.9
946.34662	2.8
964.35797	100.0
965.36694	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	965.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	13.3
73.02934	2.5
85.02948	21.2
87.00889	3.3
89.02448	5.6
95.01402	6.4
101.02445	4.0
105.03397	1.7
113.02454	33.9
117.03468	2.3
131.03511	5.2
133.02974	38.7
134.03751	1.9
135.04532	27.8
161.02448	73.9
173.07143	3.8
179.03523	17.6
184.52692	1.8
191.05544	2.3
258.12561	2.7
284.10278	2.9
310.08478	2.1
395.78519	2.0
640.22821	2.0
803.28296	8.9
947.30865	4.3
948.29584	7.6
965.31653	100.0
966.31506	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	965.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11788	5.7
71.01385	14.3
73.02927	1.4
83.01382	1.0
85.02954	19.6
87.00883	3.3
87.04517	1.1
89.02458	4.3
95.01397	5.5
96.96020	2.1
97.00174	0.8
101.02446	2.4
103.04014	3.0
105.03469	1.6
113.02463	31.8
113.77367	0.9
117.03451	1.0
121.87310	0.8
126.94463	0.8
129.01894	0.8
131.03545	5.2
132.02208	4.8
133.02971	65.5
134.03789	9.2
135.04549	28.3
146.03737	3.1
147.04504	1.1
149.04588	1.6
159.04517	2.8
160.05278	3.2
161.02464	100.0
162.02864	1.5
172.05324	1.8
173.06059	5.6
174.06876	1.1
179.03526	18.4
184.05461	1.0
187.04007	5.9
188.04726	1.0
189.05559	1.1
191.05574	1.5
191.07159	0.9
201.05579	4.1
202.06389	19.7
211.13486	4.5
283.13486	17.8
297.14764	1.0
299.16565	2.4
301.14505	10.8
309.14990	8.3
327.16089	12.2
344.45465	1.1
345.17111	7.6
363.18118	1.9
373.00479	0.9
525.23602	1.2
641.20593	1.2
671.29388	3.2
785.32391	1.1
803.33514	59.3
804.34161	2.4
965.36688	97.6
966.36285	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	966.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	3.3
80.17482	2.2
82.33971	2.2
83.05035	3.6
85.02975	4.2
98.21810	5.0
101.02437	2.4
113.02478	6.2
118.28445	2.4
119.30629	2.1
133.02939	8.7
134.03700	2.7
135.04532	4.6
161.02429	10.6
161.62213	2.1
179.03458	3.2
386.12576	2.4
466.00320	2.5
636.71942	2.9
818.29572	13.1
905.67444	17.2
906.67474	21.2
966.66138	100.0
967.66119	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	967.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00686	1.2
71.01391	4.5
73.02961	0.6
78.95898	0.6
85.02972	1.4
87.00890	1.0
89.02456	4.4
97.02989	0.5
101.02441	3.8
113.02453	2.3
119.03515	1.6
125.02470	1.1
131.03467	0.5
131.57707	0.4
143.03477	0.9
149.44269	0.4
149.50133	0.4
152.99561	0.8
161.04588	1.6
175.43178	0.4
179.05638	1.9
179.14401	0.8
195.13916	5.3
196.14725	1.2
205.12363	0.6
223.13359	4.0
228.13826	0.4
235.08324	1.3
253.09367	0.6
255.23299	2.6
256.13171	1.2
275.20178	4.1
293.21255	100.0
294.21622	1.5
305.08713	0.6
309.40683	0.5
317.21332	0.5
397.13531	18.3
415.14590	10.0
483.27084	3.1
569.42358	1.4
614.39624	0.5
673.34479	1.0
691.35565	2.6
717.47729	0.5
828.45929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52652	1.5
71.02513	1.4
72.04733	0.6
73.04077	2.5
83.02534	0.8
84.00922	1.6
85.00423	1.8
91.05500	0.6
93.03476	0.7
95.02515	1.7
99.01464	0.9
99.02023	7.4
99.05615	0.7
106.25863	0.7
111.02016	2.9
112.05175	1.0
113.03579	1.1
113.07272	3.2
119.05037	7.2
125.03606	1.0
128.04613	0.8
130.06236	2.4
133.03027	0.9
139.05119	1.3
140.07166	1.1
146.06157	3.0
154.41068	0.7
156.04066	1.2
161.02428	1.9
162.05656	0.9
163.08783	0.7
168.18182	0.7
169.04419	1.3
169.09825	1.4
173.03874	1.3
179.08253	1.6
184.07419	0.6
185.07199	2.0
186.05638	4.1
190.71382	0.7
196.10999	1.0
199.08896	0.7
203.08235	1.8
209.12999	5.6
216.11411	2.1
219.07703	1.0
220.10934	1.2
227.08813	0.7
236.10449	2.3
240.08675	0.6
244.11227	2.5
255.14777	0.8
277.13251	0.8
283.12451	0.8
299.14053	1.0
301.13123	0.9
341.16437	0.6
348.12418	0.6
358.15540	1.6
438.24265	0.7
464.19827	0.7
516.33472	0.7
551.26019	1.0
558.26208	0.8
657.54626	0.7
755.36346	1.0
861.39795	100.0
862.40210	4.7
905.41211	0.9
943.02332	0.7
985.32965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38606	5.8
73.04090	6.1
82.85468	4.8
86.40539	4.0
91.06310	4.5
93.67097	4.1
99.02014	9.7
101.49898	4.9
111.05653	5.9
113.07218	16.6
118.06640	5.6
124.05268	4.3
125.03528	6.7
133.02982	7.7
144.07796	14.0
145.22227	4.6
146.06110	8.4
153.06697	5.3
161.02376	6.8
165.60727	4.3
170.05811	5.4
170.33208	4.4
181.13493	4.7
209.12962	7.2
215.11954	10.7
227.11476	7.0
229.04601	4.6
254.10274	5.5
312.22238	4.7
769.24023	5.1
908.45306	14.6
942.44092	13.6
954.44019	8.1
972.45215	100.0
973.44183	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	972.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43640	1.0
70.43964	1.4
73.03399	0.7
73.04079	5.8
73.04446	0.7
73.96300	0.8
74.63287	0.8
83.01718	0.9
83.02513	1.1
84.00913	3.4
93.03472	1.5
95.02534	1.1
99.02029	4.0
112.07755	1.2
113.06430	0.9
113.07212	16.4
114.05569	1.8
115.08795	5.8
116.05053	5.9
117.03561	0.9
118.06631	1.3
119.05051	2.8
122.82085	1.0
123.05669	0.8
125.07215	3.7
127.08797	3.0
129.10345	2.4
135.05647	1.7
137.07208	10.1
138.05620	1.8
141.06702	3.3
146.06154	1.9
151.08728	2.2
152.08261	2.8
153.06705	12.5
154.09854	7.1
155.03455	1.3
155.08276	13.2
162.05562	0.9
163.08762	1.3
168.11427	2.4
170.09348	12.8
171.07785	1.2
172.10919	18.0
174.05559	1.0
177.06538	0.9
179.04587	1.0
181.13487	1.1
182.09332	1.6
190.05118	1.2
191.11891	1.0
194.09354	6.9
198.08868	3.8
200.10793	1.3
208.14648	2.9
209.12994	2.0
211.11978	2.2
212.10492	1.7
212.14191	1.1
224.14040	1.1
226.15633	12.7
227.11484	1.3
229.12999	2.4
242.11935	2.4
243.11420	2.2
251.15143	12.4
251.69135	1.0
252.13618	1.7
253.16682	3.0
265.16537	1.8
269.16174	6.7
271.64734	0.9
283.17816	2.6
293.16324	0.9
300.13373	1.2
308.17270	2.7
326.18338	14.5
328.20065	1.2
355.21185	1.3
407.95316	1.0
425.25317	1.9
439.26526	1.1
447.23904	1.2
561.32251	0.9
579.32581	1.8
683.38837	7.7
684.38660	1.7
685.36670	13.9
732.37183	1.1
789.42932	1.8
822.45221	14.6
928.49432	100.0
929.50116	5.2
954.50903	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	973.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51596	0.2
71.01395	1.4
71.40113	0.2
71.40512	0.2
81.82289	0.2
85.02956	4.2
87.00874	1.2
89.02441	0.5
93.03480	2.1
95.01392	0.4
105.03434	0.3
107.05032	1.2
109.02945	0.5
111.04539	0.5
111.96140	0.3
113.02465	1.6
117.03442	0.5
127.04018	0.6
131.03532	0.5
132.02228	0.3
133.02968	6.7
134.03796	2.9
135.04536	68.3
136.04874	1.0
156.70522	0.2
161.02457	10.7
173.04567	0.8
173.06042	0.2
177.01952	0.5
179.03506	100.0
180.03854	1.3
191.05620	38.5
192.05952	0.9
193.06134	0.3
215.05634	0.6
245.04529	0.3
251.32628	0.2
318.91077	0.2
323.07587	0.4
333.95184	0.3
351.07031	1.0
352.07452	0.7
353.08780	3.6
451.14081	0.3
475.14569	0.7
529.05536	0.3
569.56165	0.3
619.18823	15.4
620.18652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	7.8
73.02946	1.0
85.02957	11.0
87.00883	2.1
89.02448	3.6
95.01393	4.5
98.21911	1.6
101.02467	2.5
105.03446	1.4
108.94047	0.7
110.92909	0.8
111.11239	0.7
113.02461	13.7
117.03474	1.8
129.28448	0.8
131.03497	2.8
132.02211	5.4
133.02969	60.9
134.03790	7.8
135.04543	17.6
160.01636	1.4
161.02458	100.0
162.02791	1.4
179.03522	10.4
180.01315	0.8
182.28333	1.0
191.05684	1.0
193.05087	3.0
228.77385	0.7
252.05443	1.1
253.06140	4.1
265.05960	0.9
268.08609	0.9
282.35989	0.8
293.09363	1.0
294.10089	2.2
309.12469	1.4
368.60452	0.8
736.20593	1.0
807.44672	0.9
811.27991	14.7
812.28247	1.4
973.31079	40.8
974.31476	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	973.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03611	1.6
70.03957	1.2
71.01385	7.3
77.14915	0.8
82.52484	0.7
85.02958	9.3
87.00883	1.0
89.02431	2.7
94.19394	0.8
95.01403	3.9
101.02458	2.1
105.03451	1.5
105.24506	0.9
113.02467	15.0
117.03493	1.7
131.03528	2.6
132.02187	4.9
133.02969	62.1
134.03773	8.9
135.03500	1.2
135.04535	20.0
143.03500	0.8
146.06114	0.9
160.01588	1.2
161.02460	100.0
162.02745	0.9
178.02647	0.8
179.03508	10.0
193.05089	3.2
252.05307	0.8
253.06184	3.2
268.08618	1.6
293.09167	0.9
294.10138	2.9
295.17102	0.9
309.12555	1.7
346.34341	0.9
379.05396	0.9
623.18970	0.8
649.73212	1.0
654.04730	0.9
811.27991	17.1
973.31116	47.9
974.31628	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	973.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.4
69.65032	0.5
69.65379	0.9
83.01376	0.5
83.05035	1.6
90.97171	0.3
93.03477	0.6
107.01386	1.4
107.94313	0.3
109.02983	0.4
113.02422	0.5
117.03499	1.7
119.05042	1.8
123.08204	0.5
131.73328	0.3
133.02899	0.3
135.00861	0.6
145.02963	6.7
151.00365	2.2
151.07651	1.0
159.04546	0.4
161.06108	0.3
163.00365	1.1
163.04015	1.8
164.01208	0.5
169.01402	0.4
171.04510	0.4
178.06122	0.3
183.04565	0.5
185.06027	0.9
187.03986	0.8
189.05754	0.5
199.04033	0.4
201.05594	0.4
201.26173	0.4
211.04018	1.1
213.05621	0.7
227.03520	14.6
228.03963	0.5
229.05074	4.1
232.11037	0.3
239.03453	0.6
241.05052	0.7
255.03004	27.1
256.03735	2.9
257.04611	2.4
258.12662	0.4
259.13547	0.4
261.14929	1.2
261.93796	0.4
267.03006	0.5
273.14929	0.4
284.03281	37.4
285.04056	41.4
286.04266	0.9
288.13553	0.5
299.16437	0.3
307.08176	0.7
317.17477	1.1
361.16586	1.3
379.17679	2.7
432.15341	0.3
447.09274	0.8
511.77612	0.4
593.13019	100.0
594.05164	0.5
594.13489	4.3
1003.45477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01437	0.7
70.02975	0.6
70.40379	1.0
71.02496	0.9
80.05045	0.6
80.85704	0.5
82.06628	6.3
83.09325	0.5
85.04073	2.4
94.02980	0.9
94.06613	1.0
95.02519	2.1
96.00922	100.0
96.04552	1.2
96.95995	0.6
97.00455	1.8
97.04109	0.9
98.01222	1.8
98.02490	3.0
99.02001	1.2
101.19002	0.6
103.09645	0.6
109.04074	1.0
111.02006	2.8
111.05647	1.7
112.07676	1.7
113.03599	2.1
113.07219	39.8
113.53513	0.6
114.05600	2.3
115.08801	1.7
116.05069	0.7
116.07187	1.8
122.01215	1.1
122.02541	0.6
123.03262	1.4
123.09312	1.7
124.04073	1.4
125.07251	3.1
126.05663	0.7
127.08787	5.5
129.10350	16.5
130.08725	1.0
131.05040	2.9
132.03645	0.5
137.04810	0.6
138.05615	2.0
138.09264	0.7
139.05157	7.9
139.08788	5.1
140.07187	5.7
141.06744	0.7
146.06136	8.1
148.07674	2.0
149.07201	3.3
150.05621	1.4
150.12883	1.6
151.05147	5.3
151.08847	0.8
155.08293	4.3
157.05360	1.2
157.78580	0.5
163.08752	1.2
164.08330	0.7
165.06705	8.3
166.09891	1.3
166.12402	0.9
167.04607	0.9
167.08269	8.6
168.07751	0.8
175.08762	1.8
179.04692	0.6
181.13542	3.1
183.15018	5.8
192.07822	7.9
192.11462	1.6
193.06198	0.9
193.09846	4.1
193.13541	1.0
194.11815	3.5
195.11398	1.6
198.12901	0.9
209.12961	8.0
210.08888	10.3
210.12431	3.3
211.14543	11.8
214.12379	3.2
216.13885	2.8
216.15875	0.6
228.17126	1.1
229.15594	0.8
241.13507	2.8
242.11896	8.1
243.11510	1.2
259.14517	21.4
260.14182	1.2
264.17206	1.7
276.17172	1.1
289.16757	3.4
297.19855	1.6
307.17786	0.9
308.19748	1.6
330.79343	0.6
355.21307	1.5
359.19888	0.6
373.22394	2.1
379.27142	0.7
404.19647	1.0
410.28076	0.9
476.32819	1.2
501.31949	1.2
519.33020	1.3
632.41309	4.6
719.44843	0.7
744.44745	0.8
762.45593	15.6
779.48608	1.6
805.46552	2.9
858.51331	0.8
876.53589	90.8
877.53589	3.3
930.53894	0.8
955.54187	23.1
973.55206	92.4
974.55316	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	973.552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87600	2.8
69.88006	4.8
71.02506	1.8
76.50795	1.6
82.06645	4.6
95.02524	2.5
96.00922	96.9
96.04569	1.7
98.02444	1.9
98.22585	2.4
110.02454	1.6
110.58907	1.4
111.01992	2.2
112.07761	2.1
112.55566	1.5
113.03612	1.8
113.07220	36.7
114.05628	2.4
116.07178	1.8
123.09377	2.1
124.04022	1.8
125.07201	3.3
127.08776	3.9
129.10345	16.1
139.05141	8.3
139.08794	5.8
140.07196	5.2
146.06145	8.6
148.07646	2.6
149.07217	2.8
150.97719	1.6
151.05141	5.3
155.08299	3.9
165.06717	7.0
166.10097	1.7
167.08267	8.4
168.09099	1.7
181.13501	1.8
183.15012	5.4
192.07767	4.9
193.09895	4.6
194.11931	6.2
209.12982	7.4
210.08881	11.2
210.12419	3.1
211.14423	10.4
214.12517	2.0
216.13911	1.9
224.90257	1.5
241.13428	3.4
242.11923	5.7
259.14526	26.8
259.17020	3.0
260.13998	1.8
270.60986	1.5
289.16879	3.7
296.03833	1.7
373.22571	1.9
378.43091	1.8
393.78677	1.8
501.31989	2.7
632.41431	3.2
762.45575	13.9
876.53595	100.0
877.53613	3.2
955.54327	20.7
973.55255	85.9
974.54950	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	975.451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33886	2.4
73.04080	5.2
87.05669	3.0
95.02550	2.8
96.00919	18.6
99.02018	3.7
113.07218	14.9
116.05029	3.3
116.64546	2.1
119.05053	10.2
127.05167	4.0
127.84744	2.4
129.10364	6.3
135.04634	2.8
144.07809	3.5
145.02873	4.1
152.08281	2.9
153.06732	12.0
161.02469	6.3
165.10251	4.8
167.08272	3.1
170.09341	27.1
177.37210	2.2
179.03464	2.7
185.07271	4.5
193.13402	6.3
195.11340	3.5
200.14044	3.1
209.10474	9.4
212.14091	8.0
224.10410	2.9
227.11455	6.8
298.15161	4.2
299.15219	8.1
307.21506	19.2
325.22476	21.1
396.26001	2.9
453.27826	5.0
507.32639	3.3
842.45715	56.5
921.46411	6.3
939.47418	100.0
940.47839	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	975.5431
Annotation	Cyclolinopeptide E
Peak:m/z	Relative Intensity
69.61597	3.7
70.69286	0.8
73.04066	2.3
75.48870	0.8
80.37407	0.8
84.00914	3.7
85.02991	1.3
93.03487	1.0
98.03647	0.9
98.06100	1.1
98.21967	1.6
99.02032	2.2
101.22091	0.8
106.16492	0.7
110.06129	1.7
110.23621	0.8
111.05646	1.4
113.07224	15.6
114.05625	2.3
115.08787	5.2
119.05097	2.0
125.03577	2.3
125.07266	1.3
129.10344	1.7
136.04082	1.8
136.05188	2.3
137.02513	0.8
137.10889	0.9
138.05675	0.9
139.05147	4.0
139.08763	1.6
140.07112	1.8
141.06711	8.4
149.10840	1.4
151.08803	3.4
152.05949	1.4
153.06717	34.1
154.09882	1.5
155.08290	1.2
161.02492	1.2
163.05139	3.5
163.08839	0.8
165.10373	1.3
167.04596	1.2
167.11887	3.3
168.11459	1.2
169.09859	3.6
170.09352	4.3
175.08792	1.9
179.04654	2.6
182.12953	1.7
186.12505	6.1
192.11446	1.1
193.09840	2.5
193.13527	1.2
194.13065	1.6
195.11388	2.5
195.24127	0.9
197.12981	2.6
206.13046	1.1
209.86281	1.0
210.12527	14.0
211.14594	1.9
212.14058	32.0
222.08820	1.7
223.15611	1.7
227.15143	3.2
228.17212	1.3
249.13609	2.6
250.11987	76.8
252.14607	2.7
259.10843	1.6
264.20935	1.3
267.14648	2.5
267.18289	3.4
269.17249	1.5
285.19293	1.8
303.18378	1.1
307.21268	1.7
308.19775	1.2
309.19403	1.6
311.17212	1.7
321.19351	2.1
321.22980	1.1
325.22595	1.6
340.69897	0.9
382.24597	6.1
461.25381	1.1
486.25006	1.5
502.51147	1.0
503.27213	5.0
515.33569	1.4
620.29193	0.8
724.02319	1.1
739.41498	2.0
780.42096	1.0
822.46356	3.1
869.50287	28.3
916.49323	2.0
933.51862	9.7
933.67450	1.1
975.54352	100.0
976.54797	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	976.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	7.0
82.98917	0.3
91.43592	0.5
110.98566	4.2
132.64844	0.4
140.62978	0.4
152.99664	0.5
167.01230	0.9
185.02242	4.4
198.69890	0.4
205.19644	0.4
259.20761	0.5
275.20224	0.5
277.21756	100.0
278.22119	1.9
445.23648	49.8
446.23846	1.5
456.51212	0.4
477.60480	0.5
487.19888	0.4
531.11859	0.4
698.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	9.2
85.74487	0.7
110.98526	6.8
123.41757	0.8
150.72452	0.7
164.40964	0.7
167.01181	3.6
185.02174	3.7
277.21735	100.0
278.22086	1.5
351.92731	0.9
398.48602	0.8
445.23618	62.2
446.24152	0.9
482.45251	0.8
496.27521	0.9
571.18671	0.7
748.01178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.66308	0.7
78.95911	17.4
110.98546	9.4
152.99609	0.9
167.01166	11.7
169.34781	0.5
185.02197	3.7
185.37904	0.6
186.89320	0.8
233.22806	0.7
277.21741	82.0
278.21957	1.3
444.51974	0.6
445.23615	100.0
446.24045	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	979.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.7
69.84763	1.6
71.01391	4.9
72.99320	1.3
75.00891	2.3
77.38537	0.4
83.01400	1.9
84.02160	2.2
85.02956	100.0
86.50592	0.4
89.02448	1.8
99.00941	0.5
101.02456	1.1
103.00391	1.9
111.00887	4.3
115.00393	1.0
129.01950	7.9
133.01448	1.9
133.02960	0.5
134.03764	3.1
147.03003	13.4
152.38332	0.5
163.49454	0.5
173.00934	2.0
191.01990	62.0
193.04959	1.1
197.04526	0.9
208.74385	0.6
209.03035	47.0
223.04587	0.5
367.06741	1.7
385.07803	25.5
386.07852	0.8
593.20752	1.4
904.63660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31200	4.7
71.01386	17.5
73.02942	3.1
85.02962	21.5
86.00121	1.2
87.00877	4.7
88.19370	0.8
88.68667	0.9
89.02460	6.1
95.01414	6.1
97.02957	1.3
98.02494	1.5
98.22641	1.7
101.02460	4.7
105.03571	1.4
107.05009	1.1
113.02460	32.6
117.03456	1.3
119.03506	1.0
131.03531	6.9
132.02179	3.2
133.02971	36.1
134.03723	3.4
134.49275	0.9
135.04535	24.9
149.07187	1.5
151.08684	1.3
161.02466	61.7
162.02829	2.0
179.03514	9.5
191.05649	2.4
228.07820	1.9
230.09312	1.8
232.10866	2.4
234.12489	3.5
260.10538	1.2
288.13538	1.3
291.57944	0.9
303.14758	1.8
315.14642	7.2
341.12720	4.3
359.13678	1.3
439.18250	1.0
549.52771	1.0
768.44678	1.0
817.29993	12.0
961.32220	3.3
979.33228	100.0
980.33368	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	979.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64853	0.7
71.01387	13.8
73.02942	1.1
74.43143	0.8
83.01402	0.7
84.70935	0.7
85.02960	15.8
86.00087	0.9
87.00879	2.1
87.92152	0.8
89.02460	5.5
95.01405	6.1
97.04095	0.9
98.02479	1.9
101.02432	3.7
107.05029	0.7
107.25429	0.7
113.02463	26.9
119.03484	1.2
131.03497	5.8
132.02232	1.7
133.02972	29.9
134.03716	2.2
135.04549	17.4
143.03580	0.8
149.04523	1.0
149.07213	1.2
151.08798	2.1
161.02461	51.4
161.04585	1.4
162.02776	1.6
173.68713	0.8
179.03523	8.5
185.82373	0.8
191.05670	2.5
222.12547	1.1
228.07817	1.6
228.93500	1.0
229.08456	1.3
230.09366	1.7
232.10912	2.0
232.52748	0.8
234.12489	3.0
260.10492	1.1
288.13623	0.9
303.14786	1.3
305.18176	0.8
315.14551	6.2
341.12585	3.9
359.13715	1.7
380.50021	0.7
380.74213	0.7
398.89920	0.8
404.62906	0.8
558.57013	0.8
817.30212	8.5
961.32336	2.9
979.33234	100.0
980.33844	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	979.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35859	0.7
69.03456	1.2
71.01387	10.3
71.41934	0.8
71.42322	0.9
72.99301	2.1
73.02950	1.5
81.03457	1.1
85.02956	15.8
87.00883	2.3
89.02451	4.2
89.03971	1.6
95.01387	3.7
98.40775	0.8
101.02495	1.3
103.90633	0.8
113.01724	1.3
113.02459	16.8
117.03482	2.2
125.02419	0.8
130.48721	0.8
131.03537	4.1
132.02194	11.0
133.02971	4.7
134.03754	38.0
135.04538	5.2
143.42494	0.8
146.03772	1.9
147.04497	1.6
149.02490	1.6
149.04581	1.0
149.06090	3.2
159.04556	3.7
160.01672	34.3
160.05283	3.8
161.02484	8.9
161.06032	0.8
167.54599	0.7
172.05305	3.2
173.06081	5.0
175.04012	19.7
178.02742	2.9
179.03477	3.6
183.74702	0.7
186.06786	0.9
187.04024	5.0
187.07715	1.5
189.05563	1.2
190.06303	1.2
191.05577	2.0
193.03302	1.2
193.05064	22.4
201.05571	4.8
202.06367	15.0
211.13367	2.2
220.07413	1.1
223.06105	1.5
257.15799	1.0
265.06888	0.9
283.13416	17.2
299.16589	1.3
301.14441	6.1
309.14938	5.8
315.16028	1.5
327.16019	9.8
335.28656	0.8
345.17075	6.3
363.18076	3.3
439.14499	0.7
671.29150	2.3
803.33521	11.8
961.37341	1.3
979.38232	100.0
980.38824	4.4
990.08014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.6344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.7
71.01387	35.6
71.13637	0.1
73.02952	0.3
87.00890	0.1
87.64640	0.1
115.00384	12.3
137.09732	0.2
139.11311	1.4
155.10799	0.6
167.10765	0.4
185.11842	100.0
186.12146	0.9
195.32355	0.1
301.12943	24.0
302.13281	0.3
460.41425	0.1
677.49731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37536	0.9
69.37821	3.8
71.01397	8.1
71.21278	0.7
73.02953	1.1
82.63329	0.8
85.02953	1.3
87.00865	1.6
88.44782	0.7
89.02456	8.9
97.02940	1.2
101.02464	7.5
105.03488	0.8
113.02457	3.7
117.03510	0.8
119.03490	1.6
123.04549	3.5
125.02466	2.4
131.03519	1.4
132.02193	4.0
133.02972	48.8
134.03793	1.4
135.04541	22.2
153.05608	2.8
155.51642	0.9
161.02457	100.0
162.02885	0.9
167.86742	0.9
179.03514	7.6
180.03793	1.1
221.06657	3.1
280.33975	1.1
463.76541	0.9
477.15964	1.5
623.21936	2.1
718.85272	0.9
755.25787	5.5
917.29370	77.4
918.29980	3.4
934.73254	1.1
980.32678	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	980.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	14.5
73.02914	1.4
83.01390	1.2
85.02957	17.1
87.00887	4.2
89.02444	4.2
95.01407	5.5
97.02818	0.9
98.02479	4.2
98.21851	1.5
101.02447	4.0
107.05001	1.0
113.01732	1.6
113.02466	22.5
129.01054	0.9
129.01961	2.3
131.03519	4.8
132.02158	2.6
133.02971	30.8
134.03716	3.7
135.04532	17.5
149.06090	0.9
156.75146	0.8
157.04108	1.3
161.02469	43.2
175.08781	0.9
179.03534	7.5
180.48128	1.1
181.45935	1.0
185.07254	1.1
186.07932	1.5
187.08803	2.7
191.05579	1.9
213.10478	1.1
216.06790	1.1
217.09785	1.5
218.09346	1.5
230.09305	3.6
272.14291	1.2
298.11890	3.3
316.13083	11.1
334.13889	1.5
340.10489	1.0
342.10892	5.2
471.58545	1.0
642.24591	1.3
646.31104	1.0
742.23102	1.0
800.26715	1.4
818.28876	9.6
848.05237	1.4
917.29791	1.8
962.29932	1.8
980.31683	100.0
981.32135	4.2
1014.79718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	2.2
69.06287	0.5
69.11871	3.5
69.12260	0.9
71.01389	33.7
73.02954	100.0
75.00882	3.1
81.03435	0.6
83.01394	24.7
85.02964	9.8
86.00112	1.4
87.00887	1.3
89.01934	1.1
89.02451	9.5
95.01399	2.6
97.02968	1.9
99.00883	2.5
101.02454	73.2
111.00909	1.1
113.02466	24.0
113.03272	1.2
119.03520	11.2
125.02456	2.6
131.03542	6.9
141.01947	1.8
143.03531	9.4
147.03026	1.4
149.04565	20.2
155.03505	2.4
156.48396	0.5
159.02994	1.9
161.04578	37.4
163.63615	0.6
171.33792	0.5
173.04526	0.7
173.09015	0.7
175.07559	0.6
176.76788	0.6
191.05569	0.6
201.04037	2.9
203.05612	5.8
205.12407	3.8
221.06679	17.6
258.69562	0.6
267.16031	0.6
285.17020	2.5
345.15637	0.7
347.17139	56.0
348.17435	1.3
367.17642	0.9
371.13196	0.8
427.19382	0.8
556.72168	0.9
605.68066	0.7
856.17419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95399	1.8
73.04071	3.2
84.00940	2.6
88.81268	1.9
94.07342	2.0
95.02482	2.9
96.96014	20.6
99.02039	10.0
111.02000	2.6
113.07206	5.6
119.05061	11.3
130.06198	2.9
139.05154	3.3
146.06172	4.0
169.04413	2.7
185.07182	2.4
186.05630	4.7
203.08286	2.3
209.12961	8.1
244.11201	4.8
273.25925	1.9
398.18576	2.2
443.40192	2.3
861.39728	100.0
862.39856	10.4
863.39954	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	983.305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.4
71.01681	0.6
73.02953	3.6
80.92448	0.6
83.01389	1.7
85.02949	3.0
87.00896	2.0
89.02472	2.1
89.04012	1.4
97.02972	1.2
101.02470	4.1
104.02746	0.7
112.20764	0.6
113.02469	3.4
117.03486	2.3
119.03493	0.8
121.02934	0.7
125.02463	2.4
127.04084	1.0
131.03468	0.8
132.02187	31.6
133.02980	1.9
134.03755	41.1
135.04457	0.7
143.03477	0.9
149.06100	4.2
152.04794	1.3
160.01671	93.5
161.02408	2.5
161.04539	1.0
167.07153	2.1
175.04013	100.0
175.99451	0.6
176.04402	1.3
178.02748	3.1
179.03481	1.0
180.93929	0.7
193.05067	35.2
197.04562	1.2
203.05405	0.7
375.86389	0.6
384.30142	0.6
473.16690	1.5
515.17657	2.0
533.18695	2.5
551.04980	0.7
661.23633	2.0
679.24078	1.1
703.24756	3.2
709.23511	8.7
721.25800	3.2
763.26709	3.5
819.26740	1.4
837.27777	0.8
879.29681	1.5
897.30682	7.1
939.31445	29.4
940.30676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87602	2.6
70.52229	6.3
96.35970	2.9
113.07225	5.8
129.10332	3.8
169.09895	3.5
184.26100	3.4
209.13013	3.7
225.10667	3.6
226.15601	7.4
876.50238	100.0
877.50739	8.2
896.07953	3.5
932.15863	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	984.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20614	0.8
69.36430	4.9
73.04078	1.0
83.93942	0.9
93.03516	0.9
97.00420	1.3
99.01994	4.8
104.03415	1.0
111.02070	1.5
113.02475	1.0
113.03627	1.2
113.07204	2.2
117.86274	0.8
119.05016	3.2
125.03593	2.7
126.90529	0.8
130.06258	1.5
133.02943	1.5
135.04645	0.9
137.03625	1.1
146.06136	1.6
156.04230	1.4
161.02509	2.5
185.07149	2.0
186.05629	3.1
199.68739	0.9
209.12968	3.4
219.07690	1.4
220.00345	0.9
250.22968	1.0
260.10623	0.9
299.14191	1.2
306.68900	1.0
429.49194	1.0
432.45135	1.2
553.32233	1.1
742.77258	1.1
813.39807	4.4
877.39307	100.0
878.40094	7.9
921.41522	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	985.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
74.71788	5.0
87.54971	5.9
94.24492	5.8
97.39323	5.5
119.42780	5.3
129.10336	7.3
148.93880	5.3
242.18683	5.7
311.19882	7.0
922.54236	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	986.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	0.8
71.20683	1.3
79.83773	0.7
82.17070	0.8
84.00921	1.0
107.82104	0.7
111.02015	1.1
113.03580	4.1
113.07191	4.4
119.05034	5.5
125.07205	1.0
135.04550	1.4
146.06122	3.5
147.04660	0.8
153.06720	7.1
158.06195	1.3
161.02452	2.9
162.05640	0.9
166.09879	1.1
167.08342	1.2
170.09320	2.3
175.96481	0.9
179.03473	1.1
184.10994	4.7
186.05598	4.2
203.08275	3.2
216.18304	0.8
222.94481	1.0
223.12038	1.7
241.13144	1.6
256.14383	0.8
260.10641	1.1
260.13901	1.9
300.13553	1.5
317.16074	1.0
388.20383	1.0
389.86707	1.0
428.19733	1.2
480.22986	1.5
486.37662	0.9
533.23328	1.1
773.85046	1.0
835.37915	100.0
836.38196	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	987.299
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.5
71.01387	3.7
72.99310	1.8
73.02962	0.9
75.00881	2.8
83.01385	3.0
84.02179	2.3
85.02957	100.0
86.03290	0.3
87.00874	1.1
89.02457	0.4
90.64580	0.4
91.44878	0.3
98.21799	0.7
101.02441	1.3
102.58507	0.3
103.00395	1.5
109.02983	0.4
111.00894	5.6
115.00391	1.9
121.02967	0.6
129.01083	0.6
129.01962	8.4
147.03015	14.1
148.01755	0.4
151.00354	2.6
173.00938	2.7
178.99878	1.0
185.11845	3.8
191.01991	50.8
203.96138	0.4
232.96021	0.4
243.02954	1.8
253.14478	0.4
255.03017	6.5
262.10910	0.4
271.02521	11.5
272.03207	0.6
283.02356	0.4
300.02777	23.0
301.03574	9.1
335.58731	0.4
359.13519	4.1
377.14554	79.7
378.14941	1.7
609.14642	49.1
610.15057	1.5
633.97839	0.4
640.40320	0.5
729.62958	0.4
897.51123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62342	1.2
70.44363	2.5
76.80541	1.6
78.91888	14.8
80.91687	64.7
87.40980	1.2
88.84862	1.4
99.02017	4.5
103.01497	4.2
104.92780	1.5
113.03537	1.3
113.07214	2.7
119.05029	7.7
130.06258	3.1
134.06158	1.9
139.05174	1.6
146.06123	4.9
156.04237	2.2
173.03889	2.1
186.05635	3.5
209.12898	4.3
243.25706	1.5
244.11182	2.0
335.11713	1.5
359.90265	1.4
380.13678	2.2
407.26630	1.4
489.37723	1.4
543.08765	1.5
647.01459	1.7
861.39886	15.9
862.41449	2.2
883.37964	100.0
884.38159	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	990.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07561	0.8
69.07959	1.8
70.59010	0.4
73.00314	0.3
78.95911	9.7
84.74265	0.3
89.54178	0.3
95.38534	0.3
95.43830	0.3
98.22635	0.6
100.60500	0.4
107.37990	0.3
110.97840	0.5
110.98544	5.9
152.99637	1.0
167.01157	4.1
185.02184	4.2
187.47821	0.4
193.34055	0.3
199.59813	0.4
216.89954	0.4
259.20633	0.8
274.81262	0.4
277.21741	100.0
278.22125	1.8
302.93530	0.8
390.33530	0.4
390.98553	0.5
408.99579	0.7
445.23611	59.7
446.23801	2.0
504.84290	0.4
736.46228	0.5
918.26447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89933	1.0
77.79459	0.6
78.95915	24.2
90.93498	0.6
104.97527	0.8
110.98546	13.4
122.25505	0.5
145.27933	0.4
152.99612	1.1
167.01169	14.5
185.02217	4.1
219.02997	0.6
259.20706	0.7
277.21753	100.0
278.22116	2.2
368.04724	0.6
396.29080	0.5
445.23645	96.1
446.23978	2.4
476.84464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02494	1.2
71.41099	1.3
73.04106	1.3
74.00103	1.1
83.02493	1.5
87.05644	3.0
95.02518	6.7
96.00909	4.5
97.04065	1.8
99.02020	4.8
109.04168	1.3
110.03597	2.8
111.02029	1.4
112.05176	2.2
113.03596	6.8
113.07232	6.2
116.05064	2.0
129.10289	1.6
130.06229	5.3
138.03125	3.0
142.06593	2.8
146.06120	3.7
151.08725	1.8
153.06721	4.0
155.08282	1.2
161.02490	2.5
165.06770	1.3
165.10326	4.9
167.08286	2.4
168.11482	1.6
169.09853	1.6
170.09369	9.0
171.42578	1.1
182.13000	6.3
185.06979	1.2
186.05605	3.2
199.08757	3.5
200.07103	1.2
200.14125	7.3
203.06558	1.3
203.08298	4.5
213.10390	1.9
220.10869	1.7
226.12010	3.1
239.15266	1.7
242.09328	16.9
257.16107	1.2
259.11996	3.5
260.10413	16.3
265.16748	11.2
277.13168	6.5
283.14700	1.5
283.17697	6.0
299.15152	2.0
313.12906	1.3
331.20587	1.2
336.20551	5.9
348.16812	7.3
354.21454	12.0
389.84708	1.2
397.22266	1.3
404.11209	1.3
411.23575	1.8
412.23532	2.8
461.25323	2.3
501.28580	3.6
528.21240	1.4
615.32471	4.3
744.38440	37.7
745.38794	2.9
788.41095	4.5
823.39032	10.4
832.42322	1.5
841.40057	100.0
842.40546	6.0
867.41614	4.8
885.42749	54.8
886.43488	1.6
929.44904	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	993.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.5
71.01389	9.0
72.99300	1.6
73.02941	1.1
83.01388	0.7
85.02963	9.5
87.00888	2.5
89.02453	3.0
89.03984	2.3
95.01410	3.4
97.04086	0.9
98.02479	2.2
98.21781	0.6
101.02428	1.4
111.52800	0.5
113.02462	12.4
117.03477	3.1
125.02533	0.5
131.03526	3.7
132.01234	0.8
132.02180	9.9
133.02995	3.2
134.03758	51.2
135.04572	2.7
137.02477	0.5
143.03604	0.5
147.05627	0.9
149.04556	0.5
149.06062	3.4
149.07149	0.9
151.08751	1.5
160.01675	31.0
161.02473	7.1
175.04019	21.6
178.02678	2.2
179.03488	1.6
185.07150	0.6
191.05655	1.1
191.11983	0.5
193.05077	19.2
202.30112	0.5
207.01221	3.6
222.12436	1.0
228.07841	2.6
229.08646	1.2
230.09320	1.1
232.10909	1.4
234.12537	2.8
242.09361	0.8
260.10355	0.8
288.13480	1.1
300.38858	0.5
303.14627	1.2
315.14655	6.0
333.15796	1.1
341.12442	3.2
359.13617	1.4
377.14651	0.5
410.22031	0.5
431.59067	0.5
694.99335	0.6
817.30084	1.2
901.35675	0.6
975.33575	2.1
993.34802	100.0
994.35077	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	995.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83236	2.3
71.01388	16.2
73.02962	1.3
83.01386	1.0
85.02956	19.2
87.00880	1.0
89.02453	6.1
93.57090	0.7
95.01402	7.0
97.04071	0.8
98.02496	2.7
101.02444	3.7
105.03419	0.6
113.02464	33.5
114.94024	0.6
117.03467	1.1
119.03531	1.8
119.69900	0.6
132.02188	2.9
133.02974	32.6
134.03758	2.7
135.04536	16.8
137.02423	0.8
143.03537	0.8
149.07220	1.5
151.08804	1.4
161.02460	61.2
168.42201	0.7
175.08803	0.9
179.03545	6.0
222.12517	0.8
228.07834	1.7
229.08571	1.1
230.09404	1.0
232.10936	3.2
234.12447	3.8
260.10364	0.8
303.14810	1.9
315.14667	8.8
329.13690	1.5
333.15576	1.6
341.12601	5.2
359.13803	3.7
667.24689	0.9
685.25861	14.1
741.78845	0.8
829.28070	3.7
847.28992	100.0
848.28906	3.5
909.65533	0.8
959.30524	9.4
977.31659	29.4
995.34467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54868	1.0
69.55259	1.0
71.01382	10.0
72.99287	0.5
73.02955	5.7
80.46786	0.4
83.01393	2.3
85.02969	4.9
86.00140	0.5
87.00873	2.4
89.02441	3.3
94.71809	0.4
95.01386	1.3
97.02924	0.5
99.00884	1.6
101.02454	7.0
113.02452	5.7
115.00395	0.8
119.03516	1.3
122.06139	0.8
125.02466	0.8
125.61201	0.5
129.01901	0.5
131.03523	2.6
133.01491	0.9
133.02921	0.6
134.03734	0.5
135.04523	0.5
138.30234	0.4
143.03490	0.5
148.35185	0.5
161.02507	0.6
161.04561	2.9
175.36369	0.5
179.03520	0.8
179.05592	0.5
221.06686	2.2
301.21744	1.6
303.86740	0.6
319.22751	7.7
321.24255	1.2
337.23730	1.4
431.21619	0.6
451.44171	0.5
481.27744	1.2
499.29251	5.4
541.30182	11.6
631.27728	1.1
642.40289	0.5
643.33215	0.6
655.27655	0.7
661.34454	5.6
673.28558	0.7
685.34351	3.5
703.35504	100.0
704.35687	4.1
745.36487	2.9
813.35486	2.1
831.71967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04072	0.4
83.02505	0.3
84.95097	0.3
85.00449	1.4
88.98814	100.0
99.02016	1.1
111.01949	0.3
113.07233	0.5
119.05019	1.1
130.06248	0.7
146.06149	0.4
152.87419	0.3
162.05684	0.3
185.07335	0.5
186.05637	0.7
197.77176	0.3
209.12991	0.9
244.11357	0.4
358.15698	0.5
768.76971	0.4
861.39771	12.3
862.39960	2.1
863.39801	2.0
END